smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]cc(C)c1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC001339101811 936350327 /nfs/dbraw/zinc/35/03/27/936350327.db2.gz DPNYZPPFMBXJNZ-MRXNPFEDSA-N 1 2 293.370 3.146 20 30 CGEDLO COc1ccccc1C1([NH2+]Cc2nc(C#N)cs2)CCC1 ZINC001343553427 936506180 /nfs/dbraw/zinc/50/61/80/936506180.db2.gz UVYGOSBXVLPIHH-UHFFFAOYSA-N 1 2 299.399 3.192 20 30 CGEDLO C=CCC[C@@H](c1nnc(C[NH+](C)C)o1)c1ccccc1 ZINC001346661898 936856037 /nfs/dbraw/zinc/85/60/37/936856037.db2.gz HMIPMVRLZZSPGA-CQSZACIVSA-N 1 2 271.364 3.229 20 30 CGEDLO CCn1c2ccccc2nc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC001353232446 937060555 /nfs/dbraw/zinc/06/05/55/937060555.db2.gz TWVXTSAHEYHTGW-KBPBESRZSA-N 1 2 295.390 3.150 20 30 CGEDLO CC(C)Oc1cc(NCc2ccccc2C#N)cc[nH+]1 ZINC001167635219 926801463 /nfs/dbraw/zinc/80/14/63/926801463.db2.gz KELQESQXOJEPLU-UHFFFAOYSA-N 1 2 267.332 3.353 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cscc1Br ZINC000336694554 927010648 /nfs/dbraw/zinc/01/06/48/927010648.db2.gz RVBKILNIDNQKJC-UHFFFAOYSA-N 1 2 273.199 3.150 20 30 CGEDLO O=[N+]([O-])c1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000299809343 927212024 /nfs/dbraw/zinc/21/20/24/927212024.db2.gz MQTKDDJFPIBTLA-UHFFFAOYSA-N 1 2 292.298 3.011 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@](C)(CC)CCC ZINC001483402179 927499072 /nfs/dbraw/zinc/49/90/72/927499072.db2.gz UTLCRVBDZQTSLJ-DZGCQCFKSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@](C)(CC)CCC ZINC001483402179 927499080 /nfs/dbraw/zinc/49/90/80/927499080.db2.gz UTLCRVBDZQTSLJ-DZGCQCFKSA-N 1 2 288.863 3.392 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@H+](C)CC(=C)Cl)CCCC1 ZINC001485394399 927859857 /nfs/dbraw/zinc/85/98/57/927859857.db2.gz SRNNZOHRPLRQCW-CQSZACIVSA-N 1 2 298.858 3.312 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)CC(=C)Cl)CCCC1 ZINC001485394399 927859868 /nfs/dbraw/zinc/85/98/68/927859868.db2.gz SRNNZOHRPLRQCW-CQSZACIVSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001485559333 927886674 /nfs/dbraw/zinc/88/66/74/927886674.db2.gz PDGUJGYSPQDPEM-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001485559333 927886688 /nfs/dbraw/zinc/88/66/88/927886688.db2.gz PDGUJGYSPQDPEM-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C/Cl)CCC1 ZINC001488654825 928289929 /nfs/dbraw/zinc/28/99/29/928289929.db2.gz OWGCCCGYKPIMHZ-SEIPJRMCSA-N 1 2 296.842 3.018 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C/Cl)CCC1 ZINC001488654825 928289940 /nfs/dbraw/zinc/28/99/40/928289940.db2.gz OWGCCCGYKPIMHZ-SEIPJRMCSA-N 1 2 296.842 3.018 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001308142681 928813281 /nfs/dbraw/zinc/81/32/81/928813281.db2.gz SFJYTWZXMJBNSY-LBPRGKRZSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001308142681 928813288 /nfs/dbraw/zinc/81/32/88/928813288.db2.gz SFJYTWZXMJBNSY-LBPRGKRZSA-N 1 2 251.732 3.467 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001437616057 937295924 /nfs/dbraw/zinc/29/59/24/937295924.db2.gz HMPYEKLGFRIRLI-KGLIPLIRSA-N 1 2 283.375 3.199 20 30 CGEDLO CC(C)c1[nH]cc(CNC(=O)CC2(C#N)CCCCC2)[nH+]1 ZINC001456344302 937429988 /nfs/dbraw/zinc/42/99/88/937429988.db2.gz QVKUCMRMLZMTIW-UHFFFAOYSA-N 1 2 288.395 3.013 20 30 CGEDLO CC(C)c1[nH]c(CNC(=O)CC2(C#N)CCCCC2)c[nH+]1 ZINC001456344302 937429991 /nfs/dbraw/zinc/42/99/91/937429991.db2.gz QVKUCMRMLZMTIW-UHFFFAOYSA-N 1 2 288.395 3.013 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncccn2)cc1C#N ZINC001460719375 937541829 /nfs/dbraw/zinc/54/18/29/937541829.db2.gz WVRJHYWFYCLJBO-KRWDZBQOSA-N 1 2 292.386 3.384 20 30 CGEDLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncccn2)cc1C#N ZINC001460719375 937541831 /nfs/dbraw/zinc/54/18/31/937541831.db2.gz WVRJHYWFYCLJBO-KRWDZBQOSA-N 1 2 292.386 3.384 20 30 CGEDLO C=C(Br)CN1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001460764310 937544392 /nfs/dbraw/zinc/54/43/92/937544392.db2.gz LJSWEUQJYUFIRY-LLVKDONJSA-N 1 2 284.201 3.072 20 30 CGEDLO C#CC[N@@H+]([C@H](C)C(=O)OCCC)[C@@H]1CCCc2ccccc21 ZINC001460837565 937548394 /nfs/dbraw/zinc/54/83/94/937548394.db2.gz PNUXDGWHCPWZEY-CRAIPNDOSA-N 1 2 299.414 3.341 20 30 CGEDLO C#CC[N@H+]([C@H](C)C(=O)OCCC)[C@@H]1CCCc2ccccc21 ZINC001460837565 937548396 /nfs/dbraw/zinc/54/83/96/937548396.db2.gz PNUXDGWHCPWZEY-CRAIPNDOSA-N 1 2 299.414 3.341 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140602810 931959390 /nfs/dbraw/zinc/95/93/90/931959390.db2.gz PZSSMXKHOPERJR-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO C=CCn1cc(C[NH2+]Cc2ccc(-c3ccccc3)o2)nn1 ZINC001461591891 937587542 /nfs/dbraw/zinc/58/75/42/937587542.db2.gz OIIMTJCFZTUCOX-UHFFFAOYSA-N 1 2 294.358 3.014 20 30 CGEDLO C#C[C@H](CCCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920221 932642347 /nfs/dbraw/zinc/64/23/47/932642347.db2.gz KEJMHICJCWPXNJ-OAHLLOKOSA-N 1 2 271.360 3.328 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OCC ZINC001462190424 937623995 /nfs/dbraw/zinc/62/39/95/937623995.db2.gz RABFIUMAUHSGIE-JFIYKMOQSA-N 1 2 287.403 3.278 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CCCc2ccccc2C1)C(=O)OCC ZINC001462192646 937624080 /nfs/dbraw/zinc/62/40/80/937624080.db2.gz YAXKOELWNUTZBT-IRXDYDNUSA-N 1 2 287.403 3.031 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001492473227 932818956 /nfs/dbraw/zinc/81/89/56/932818956.db2.gz FFWPOTANRYCJLP-ZIAGYGMSSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001492473227 932818957 /nfs/dbraw/zinc/81/89/57/932818957.db2.gz FFWPOTANRYCJLP-ZIAGYGMSSA-N 1 2 286.847 3.003 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001307800390 933001495 /nfs/dbraw/zinc/00/14/95/933001495.db2.gz VNIRAHRRXDMSNY-YPMHNXCESA-N 1 2 277.330 3.220 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001307800390 933001500 /nfs/dbraw/zinc/00/15/00/933001500.db2.gz VNIRAHRRXDMSNY-YPMHNXCESA-N 1 2 277.330 3.220 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC001307898606 933016687 /nfs/dbraw/zinc/01/66/87/933016687.db2.gz ZRLVRNQSZANWTQ-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC001307898606 933016690 /nfs/dbraw/zinc/01/66/90/933016690.db2.gz ZRLVRNQSZANWTQ-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCCC[C@@]12CCOC2 ZINC001308166191 933063793 /nfs/dbraw/zinc/06/37/93/933063793.db2.gz IDIVHWYYLVEHEC-KRWDZBQOSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCCC[C@@]12CCOC2 ZINC001308166191 933063797 /nfs/dbraw/zinc/06/37/97/933063797.db2.gz IDIVHWYYLVEHEC-KRWDZBQOSA-N 1 2 289.806 3.337 20 30 CGEDLO Cc1cc(Br)c(C[NH2+][C@H](C)CC#N)s1 ZINC001308506066 933122132 /nfs/dbraw/zinc/12/21/32/933122132.db2.gz QTBQBKLIVIURSZ-SSDOTTSWSA-N 1 2 273.199 3.211 20 30 CGEDLO Cc1cc(Cl)cc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC001308537117 933126980 /nfs/dbraw/zinc/12/69/80/933126980.db2.gz RMDLXMVXNAXBBQ-UHFFFAOYSA-N 1 2 277.780 3.266 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(Cl)nn1 ZINC001308656692 933150891 /nfs/dbraw/zinc/15/08/91/933150891.db2.gz MWEGJXBGAKISOR-UHFFFAOYSA-N 1 2 279.796 3.380 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(Cl)nn1 ZINC001308656692 933150894 /nfs/dbraw/zinc/15/08/94/933150894.db2.gz MWEGJXBGAKISOR-UHFFFAOYSA-N 1 2 279.796 3.380 20 30 CGEDLO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC001308815286 933182875 /nfs/dbraw/zinc/18/28/75/933182875.db2.gz SHUWJOISFHNZEB-GDBMZVCRSA-N 1 2 289.419 3.494 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001317486056 933602302 /nfs/dbraw/zinc/60/23/02/933602302.db2.gz IUNILIOUBFYVGU-SWLSCSKDSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001317486056 933602306 /nfs/dbraw/zinc/60/23/06/933602306.db2.gz IUNILIOUBFYVGU-SWLSCSKDSA-N 1 2 286.847 3.003 20 30 CGEDLO C=CCC1(C(=O)NC2C[NH+](CC3=CCCCC3)C2)CCC1 ZINC001318060780 933680794 /nfs/dbraw/zinc/68/07/94/933680794.db2.gz LKAXMBNTTDFBQJ-UHFFFAOYSA-N 1 2 288.435 3.034 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001320280381 934024680 /nfs/dbraw/zinc/02/46/80/934024680.db2.gz SNZMUISVXUJVTI-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001320280381 934024685 /nfs/dbraw/zinc/02/46/85/934024685.db2.gz SNZMUISVXUJVTI-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO COc1ccc(CNc2[nH+]cccc2OC(C)C)cc1C#N ZINC001320750704 934098033 /nfs/dbraw/zinc/09/80/33/934098033.db2.gz QFWJXBMZNPZQGM-UHFFFAOYSA-N 1 2 297.358 3.361 20 30 CGEDLO Cc1c[nH+]c(Nc2ccc(C#N)c(Br)c2F)[nH]1 ZINC001472725484 937781690 /nfs/dbraw/zinc/78/16/90/937781690.db2.gz FCZZYYJIRCBODA-UHFFFAOYSA-N 1 2 295.115 3.235 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(Cl)nc1Cl)CC1CC1 ZINC001325233010 934897610 /nfs/dbraw/zinc/89/76/10/934897610.db2.gz NNWKASPWCBQAGF-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C#CC[N@H+](Cc1ccc(Cl)nc1Cl)CC1CC1 ZINC001325233010 934897617 /nfs/dbraw/zinc/89/76/17/934897617.db2.gz NNWKASPWCBQAGF-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)c(Cl)c1 ZINC001327706785 935079314 /nfs/dbraw/zinc/07/93/14/935079314.db2.gz QGEKMKANFUDFHO-UHFFFAOYSA-N 1 2 285.738 3.245 20 30 CGEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C(C)(C)C)s1)[C@H]1CCCO1 ZINC001332897639 935496514 /nfs/dbraw/zinc/49/65/14/935496514.db2.gz NMJVFLCXDFAXQN-QWHCGFSZSA-N 1 2 292.448 3.019 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)C2CCC(CC)CC2)c1=S ZINC001337872347 936295817 /nfs/dbraw/zinc/29/58/17/936295817.db2.gz BUHGMEJGMHICTA-UHFFFAOYSA-N 1 2 294.468 3.458 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)C2CCC(CC)CC2)c1=S ZINC001337872347 936295821 /nfs/dbraw/zinc/29/58/21/936295821.db2.gz BUHGMEJGMHICTA-UHFFFAOYSA-N 1 2 294.468 3.458 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(OC)s1)c1ccc(Cl)cc1 ZINC001474556422 937866838 /nfs/dbraw/zinc/86/68/38/937866838.db2.gz KNRRWHPOCKIVIY-CYBMUJFWSA-N 1 2 292.791 3.269 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CC2(CCC2)C1 ZINC001474568806 937867771 /nfs/dbraw/zinc/86/77/71/937867771.db2.gz NIGQOOZMXAHSHZ-UHFFFAOYSA-N 1 2 275.779 3.338 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001494315831 937954466 /nfs/dbraw/zinc/95/44/66/937954466.db2.gz MLMACBXRJDMZGN-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001494315831 937954467 /nfs/dbraw/zinc/95/44/67/937954467.db2.gz MLMACBXRJDMZGN-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCCSCCNc1cc(CC)[nH+]c(CC)n1 ZINC001559230883 938223090 /nfs/dbraw/zinc/22/30/90/938223090.db2.gz SPDOEVJWJAMKCW-UHFFFAOYSA-N 1 2 265.426 3.323 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C#N)ccn1 ZINC001559578836 938230007 /nfs/dbraw/zinc/23/00/07/938230007.db2.gz UQAASEDOWBCSSC-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C#N)ccn1 ZINC001559578836 938230008 /nfs/dbraw/zinc/23/00/08/938230008.db2.gz UQAASEDOWBCSSC-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO COc1c(C)c[nH+]c(CN2CCc3c2cccc3C#N)c1C ZINC001559926953 938238980 /nfs/dbraw/zinc/23/89/80/938238980.db2.gz ZSEOPQOPDYVQIJ-UHFFFAOYSA-N 1 2 293.370 3.141 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(=O)OC ZINC001560968320 938287182 /nfs/dbraw/zinc/28/71/82/938287182.db2.gz ZKEUZWBDXSFDQR-BBWFWOEESA-N 1 2 287.403 3.420 20 30 CGEDLO CCOc1c(Cl)cccc1C[NH2+][C@H](C)CC#N ZINC001461723324 960502890 /nfs/dbraw/zinc/50/28/90/960502890.db2.gz AIYBMNXHGLBFCI-SNVBAGLBSA-N 1 2 252.745 3.130 20 30 CGEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC(=C)Cl)CCC1 ZINC001567379537 960590664 /nfs/dbraw/zinc/59/06/64/960590664.db2.gz XEMLSTKLPZJGQY-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)Cl)CCC1 ZINC001567379537 960590672 /nfs/dbraw/zinc/59/06/72/960590672.db2.gz XEMLSTKLPZJGQY-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CCCC#CC)C(C)C ZINC001571613972 962187325 /nfs/dbraw/zinc/18/73/25/962187325.db2.gz PDUJINRIWBNNQJ-UHFFFAOYSA-N 1 2 298.858 3.101 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CCCC#CC)C(C)C ZINC001571613972 962187335 /nfs/dbraw/zinc/18/73/35/962187335.db2.gz PDUJINRIWBNNQJ-UHFFFAOYSA-N 1 2 298.858 3.101 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCCCC)CC1 ZINC001571681392 962206574 /nfs/dbraw/zinc/20/65/74/962206574.db2.gz VHDWNPYISBYWGQ-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCCCC)CC1 ZINC001571681392 962206587 /nfs/dbraw/zinc/20/65/87/962206587.db2.gz VHDWNPYISBYWGQ-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO N#Cc1cnc(Nc2cccc(Oc3cc[nH+]cc3)c2)cn1 ZINC000124477897 187139128 /nfs/dbraw/zinc/13/91/28/187139128.db2.gz IFFROSCQPBCYBL-UHFFFAOYSA-N 1 2 289.298 3.279 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000127834536 187335391 /nfs/dbraw/zinc/33/53/91/187335391.db2.gz CMQAJAFEEZHUOU-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000127834536 187335392 /nfs/dbraw/zinc/33/53/92/187335392.db2.gz CMQAJAFEEZHUOU-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO CCOc1ccc([C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000591818012 346939322 /nfs/dbraw/zinc/93/93/22/346939322.db2.gz WNDHCMQNCGSQAT-ZDUSSCGKSA-N 1 2 281.359 3.255 20 30 CGEDLO CC(C)(C)C1=CC[N@H+](Cc2ccncc2C#N)CC1 ZINC000592086157 346962449 /nfs/dbraw/zinc/96/24/49/346962449.db2.gz OXAGUUOLKFPVQX-UHFFFAOYSA-N 1 2 255.365 3.131 20 30 CGEDLO CC(C)(C)C1=CC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592086157 346962455 /nfs/dbraw/zinc/96/24/55/346962455.db2.gz OXAGUUOLKFPVQX-UHFFFAOYSA-N 1 2 255.365 3.131 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000592522495 346995528 /nfs/dbraw/zinc/99/55/28/346995528.db2.gz DISOXIZHTSBZGM-HIFRSBDPSA-N 1 2 281.363 3.070 20 30 CGEDLO CN(CC[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593121330 347042245 /nfs/dbraw/zinc/04/22/45/347042245.db2.gz ZVEUFLVURJKMRQ-UHFFFAOYSA-N 1 2 277.371 3.010 20 30 CGEDLO CN(CC[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593121330 347042247 /nfs/dbraw/zinc/04/22/47/347042247.db2.gz ZVEUFLVURJKMRQ-UHFFFAOYSA-N 1 2 277.371 3.010 20 30 CGEDLO N#CC1(CNc2cc[nH+]c3c(O)cccc23)CCCC1 ZINC000593483990 347084664 /nfs/dbraw/zinc/08/46/64/347084664.db2.gz AQJFDARUSGEOEM-UHFFFAOYSA-N 1 2 267.332 3.436 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)no1 ZINC000027880166 344912182 /nfs/dbraw/zinc/91/21/82/344912182.db2.gz UJGVRLUANJFKLT-INIZCTEOSA-N 1 2 267.332 3.192 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)no1 ZINC000027880166 344912184 /nfs/dbraw/zinc/91/21/84/344912184.db2.gz UJGVRLUANJFKLT-INIZCTEOSA-N 1 2 267.332 3.192 20 30 CGEDLO Cc1cc(Nc2nnc(C)c(C)c2C#N)ccc1[NH+](C)C ZINC000029621142 344918264 /nfs/dbraw/zinc/91/82/64/344918264.db2.gz FUPMUYMSLAASTB-UHFFFAOYSA-N 1 2 281.363 3.083 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000046438301 345039421 /nfs/dbraw/zinc/03/94/21/345039421.db2.gz LZANQQJLBUFFFJ-UHFFFAOYSA-N 1 2 298.308 3.318 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000052440561 345103534 /nfs/dbraw/zinc/10/35/34/345103534.db2.gz FCYQFVSIXXICLG-UHFFFAOYSA-N 1 2 270.170 3.036 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1cccc(OC)c1 ZINC000052440561 345103536 /nfs/dbraw/zinc/10/35/36/345103536.db2.gz FCYQFVSIXXICLG-UHFFFAOYSA-N 1 2 270.170 3.036 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000081040053 345696704 /nfs/dbraw/zinc/69/67/04/345696704.db2.gz QSEIQKYZCPWVEE-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000081040053 345696705 /nfs/dbraw/zinc/69/67/05/345696705.db2.gz QSEIQKYZCPWVEE-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO N#Cc1ccc(COc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000156927109 346160604 /nfs/dbraw/zinc/16/06/04/346160604.db2.gz ZHQLRGCTVXHSCR-UHFFFAOYSA-N 1 2 275.311 3.323 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCCC[C@@H]1C ZINC000174876194 346245993 /nfs/dbraw/zinc/24/59/93/346245993.db2.gz HCSFAOBRCVGJHY-HNNXBMFYSA-N 1 2 293.455 3.039 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCCC[C@@H]1C ZINC000174876194 346245998 /nfs/dbraw/zinc/24/59/98/346245998.db2.gz HCSFAOBRCVGJHY-HNNXBMFYSA-N 1 2 293.455 3.039 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc2ccccc2n1)CC1CC1 ZINC000176257583 346249224 /nfs/dbraw/zinc/24/92/24/346249224.db2.gz JNRPSTOIKOCADN-UHFFFAOYSA-N 1 2 265.360 3.360 20 30 CGEDLO N#CCC[N@H+](Cc1ccc2ccccc2n1)CC1CC1 ZINC000176257583 346249226 /nfs/dbraw/zinc/24/92/26/346249226.db2.gz JNRPSTOIKOCADN-UHFFFAOYSA-N 1 2 265.360 3.360 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000624037002 349951571 /nfs/dbraw/zinc/95/15/71/349951571.db2.gz IFPBIPOSPCMAPG-LBPRGKRZSA-N 1 2 276.409 3.148 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc3c(s2)CCCC3)CCCC1 ZINC000593653165 347099381 /nfs/dbraw/zinc/09/93/81/347099381.db2.gz DOCRFCWYYVHGSA-UHFFFAOYSA-N 1 2 275.421 3.195 20 30 CGEDLO CC(C)c1cnc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593653430 347100191 /nfs/dbraw/zinc/10/01/91/347100191.db2.gz KQPZAYWMLBPVQA-UHFFFAOYSA-N 1 2 263.410 3.440 20 30 CGEDLO C=C[C@H](CC(=O)Nc1cc[nH+]cc1CC)c1ccccc1 ZINC000536244972 346649639 /nfs/dbraw/zinc/64/96/39/346649639.db2.gz RIUFDABCGVUNEO-CQSZACIVSA-N 1 2 280.371 3.364 20 30 CGEDLO Cc1nsc(Nc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC000587096735 346742804 /nfs/dbraw/zinc/74/28/04/346742804.db2.gz LYPVLSSXOPIKPH-UHFFFAOYSA-N 1 2 299.403 3.452 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H]2CSCc3ccccc32)n1 ZINC000589310627 346793627 /nfs/dbraw/zinc/79/36/27/346793627.db2.gz RFRSYIBGXVBQEE-CYBMUJFWSA-N 1 2 287.413 3.092 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)nc1 ZINC000593960302 347123899 /nfs/dbraw/zinc/12/38/99/347123899.db2.gz UJIIYWKYWFZYKJ-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)nc1 ZINC000593960302 347123901 /nfs/dbraw/zinc/12/39/01/347123901.db2.gz UJIIYWKYWFZYKJ-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000595318565 347291151 /nfs/dbraw/zinc/29/11/51/347291151.db2.gz VMLUDPQYTHBZSZ-HUUCEWRRSA-N 1 2 252.317 3.334 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000595318565 347291155 /nfs/dbraw/zinc/29/11/55/347291155.db2.gz VMLUDPQYTHBZSZ-HUUCEWRRSA-N 1 2 252.317 3.334 20 30 CGEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)o1 ZINC000595412907 347299441 /nfs/dbraw/zinc/29/94/41/347299441.db2.gz OIGWGLOPKMOFDU-SNVBAGLBSA-N 1 2 255.321 3.014 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cn2ccccc2n1 ZINC000595091079 347280360 /nfs/dbraw/zinc/28/03/60/347280360.db2.gz NBJBSNCOFFBAMC-AWEZNQCLSA-N 1 2 282.391 3.459 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000595620241 347328805 /nfs/dbraw/zinc/32/88/05/347328805.db2.gz KYAKNLLLHVTRAM-NSHDSACASA-N 1 2 261.394 3.146 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000595620241 347328807 /nfs/dbraw/zinc/32/88/07/347328807.db2.gz KYAKNLLLHVTRAM-NSHDSACASA-N 1 2 261.394 3.146 20 30 CGEDLO COCC[C@H]1CCCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595442412 347304376 /nfs/dbraw/zinc/30/43/76/347304376.db2.gz QYLAXKUZWJWDCL-WBVHZDCISA-N 1 2 272.392 3.390 20 30 CGEDLO COCC[C@H]1CCCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595442412 347304378 /nfs/dbraw/zinc/30/43/78/347304378.db2.gz QYLAXKUZWJWDCL-WBVHZDCISA-N 1 2 272.392 3.390 20 30 CGEDLO N#C[C@]1(F)CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595457392 347306550 /nfs/dbraw/zinc/30/65/50/347306550.db2.gz WWWSYPBWNQTELN-GDBMZVCRSA-N 1 2 258.340 3.044 20 30 CGEDLO N#C[C@]1(F)CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595457392 347306552 /nfs/dbraw/zinc/30/65/52/347306552.db2.gz WWWSYPBWNQTELN-GDBMZVCRSA-N 1 2 258.340 3.044 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595839119 347364455 /nfs/dbraw/zinc/36/44/55/347364455.db2.gz ZHTBUPGREQZGHS-HNNXBMFYSA-N 1 2 292.304 3.292 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595839119 347364458 /nfs/dbraw/zinc/36/44/58/347364458.db2.gz ZHTBUPGREQZGHS-HNNXBMFYSA-N 1 2 292.304 3.292 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595839772 347365522 /nfs/dbraw/zinc/36/55/22/347365522.db2.gz LAIOVHFRCMQLGE-AWEZNQCLSA-N 1 2 298.308 3.363 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595839772 347365525 /nfs/dbraw/zinc/36/55/25/347365525.db2.gz LAIOVHFRCMQLGE-AWEZNQCLSA-N 1 2 298.308 3.363 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842672 347366512 /nfs/dbraw/zinc/36/65/12/347366512.db2.gz UPQXFKNHCTYZKM-OAHLLOKOSA-N 1 2 280.318 3.332 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842672 347366516 /nfs/dbraw/zinc/36/65/16/347366516.db2.gz UPQXFKNHCTYZKM-OAHLLOKOSA-N 1 2 280.318 3.332 20 30 CGEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000596354928 347429832 /nfs/dbraw/zinc/42/98/32/347429832.db2.gz AHQPHIIYNYQXKD-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO COCc1csc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000597080957 347534160 /nfs/dbraw/zinc/53/41/60/347534160.db2.gz XUKWEJKJRUIZAB-CQSZACIVSA-N 1 2 264.394 3.020 20 30 CGEDLO COCc1csc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000597080957 347534164 /nfs/dbraw/zinc/53/41/64/347534164.db2.gz XUKWEJKJRUIZAB-CQSZACIVSA-N 1 2 264.394 3.020 20 30 CGEDLO N#CCC1C[NH+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000597204177 347554187 /nfs/dbraw/zinc/55/41/87/347554187.db2.gz SFFAAIRVECXKGL-UHFFFAOYSA-N 1 2 269.373 3.156 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OC(C)C ZINC000597228565 347557328 /nfs/dbraw/zinc/55/73/28/347557328.db2.gz DAWATNUDXWHUJN-KRWDZBQOSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OC(C)C ZINC000597228565 347557330 /nfs/dbraw/zinc/55/73/30/347557330.db2.gz DAWATNUDXWHUJN-KRWDZBQOSA-N 1 2 288.391 3.218 20 30 CGEDLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000599069103 347713854 /nfs/dbraw/zinc/71/38/54/347713854.db2.gz UOCWKOKHARNFBD-VIFPVBQESA-N 1 2 256.271 3.393 20 30 CGEDLO N#CCCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599681153 347765033 /nfs/dbraw/zinc/76/50/33/347765033.db2.gz DBRNNTWGCVSQBJ-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO N#CCCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599681153 347765036 /nfs/dbraw/zinc/76/50/36/347765036.db2.gz DBRNNTWGCVSQBJ-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1C#N ZINC000599257778 347729190 /nfs/dbraw/zinc/72/91/90/347729190.db2.gz LURRRUPUCGKREH-CQSZACIVSA-N 1 2 265.360 3.245 20 30 CGEDLO Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1C#N ZINC000599257778 347729194 /nfs/dbraw/zinc/72/91/94/347729194.db2.gz LURRRUPUCGKREH-CQSZACIVSA-N 1 2 265.360 3.245 20 30 CGEDLO COCCCCNc1ccc(-c2ccc(C)cc2C#N)c[nH+]1 ZINC000600774457 347833190 /nfs/dbraw/zinc/83/31/90/347833190.db2.gz DEOLWWIUVGBLOE-UHFFFAOYSA-N 1 2 295.386 3.189 20 30 CGEDLO CCOCCCNc1ccc(-c2ccc(F)c(C#N)c2)c[nH+]1 ZINC000600782009 347835108 /nfs/dbraw/zinc/83/51/08/347835108.db2.gz KEMGFNNTMISWGQ-UHFFFAOYSA-N 1 2 299.349 3.020 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1cc(C#N)cc(C)n1 ZINC000601160212 347876319 /nfs/dbraw/zinc/87/63/19/347876319.db2.gz UVXLODCRUPBEER-OAHLLOKOSA-N 1 2 295.390 3.210 20 30 CGEDLO Cc1nc(C[NH2+]Cc2cccc(F)c2C#N)sc1C ZINC000602009882 347932647 /nfs/dbraw/zinc/93/26/47/347932647.db2.gz BBIASNWVJAFOTC-UHFFFAOYSA-N 1 2 275.352 3.061 20 30 CGEDLO C[C@H](CCC#N)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000602428466 347956409 /nfs/dbraw/zinc/95/64/09/347956409.db2.gz NZQIQSBOLXGUMW-CYBMUJFWSA-N 1 2 254.337 3.224 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602449179 347960122 /nfs/dbraw/zinc/96/01/22/347960122.db2.gz ORNAXWZWMSJDCK-GXTWGEPZSA-N 1 2 288.395 3.414 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602449179 347960123 /nfs/dbraw/zinc/96/01/23/347960123.db2.gz ORNAXWZWMSJDCK-GXTWGEPZSA-N 1 2 288.395 3.414 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602641808 347999336 /nfs/dbraw/zinc/99/93/36/347999336.db2.gz DZMYTSOEQNOBND-UHFFFAOYSA-N 1 2 299.252 3.007 20 30 CGEDLO N#CC1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC000602707363 348014479 /nfs/dbraw/zinc/01/44/79/348014479.db2.gz UHWKBZAGCBUFHR-UHFFFAOYSA-N 1 2 255.365 3.455 20 30 CGEDLO N#CCC[C@@H](Nc1cc(CO)cc[nH+]1)c1ccccc1 ZINC000603318121 348070326 /nfs/dbraw/zinc/07/03/26/348070326.db2.gz RGYFYBSYENROFO-OAHLLOKOSA-N 1 2 267.332 3.031 20 30 CGEDLO C[N@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCC[C@H]1C#N ZINC000602978583 348049393 /nfs/dbraw/zinc/04/93/93/348049393.db2.gz SOCBJWQMLLRXEG-GWCFXTLKSA-N 1 2 273.311 3.091 20 30 CGEDLO C[N@@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCC[C@H]1C#N ZINC000602978583 348049394 /nfs/dbraw/zinc/04/93/94/348049394.db2.gz SOCBJWQMLLRXEG-GWCFXTLKSA-N 1 2 273.311 3.091 20 30 CGEDLO C[N@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602982597 348052366 /nfs/dbraw/zinc/05/23/66/348052366.db2.gz VDFRNDDLCQCEGM-PWSUYJOCSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602982597 348052368 /nfs/dbraw/zinc/05/23/68/348052368.db2.gz VDFRNDDLCQCEGM-PWSUYJOCSA-N 1 2 283.297 3.224 20 30 CGEDLO CC#CC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000607728839 348259216 /nfs/dbraw/zinc/25/92/16/348259216.db2.gz GTAXFOOQWWEUIP-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO CC#CC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000607728839 348259220 /nfs/dbraw/zinc/25/92/20/348259220.db2.gz GTAXFOOQWWEUIP-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1nc2cc(F)ccc2o1 ZINC000610682020 348395998 /nfs/dbraw/zinc/39/59/98/348395998.db2.gz YGJOCPWXYPRDBS-UHFFFAOYSA-N 1 2 261.300 3.091 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1nc2cc(F)ccc2o1 ZINC000610682020 348396004 /nfs/dbraw/zinc/39/60/04/348396004.db2.gz YGJOCPWXYPRDBS-UHFFFAOYSA-N 1 2 261.300 3.091 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)o1 ZINC000611274594 348434377 /nfs/dbraw/zinc/43/43/77/348434377.db2.gz ZQEQTBGRAKRVOV-HNNXBMFYSA-N 1 2 256.280 3.237 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)o1 ZINC000611274594 348434379 /nfs/dbraw/zinc/43/43/79/348434379.db2.gz ZQEQTBGRAKRVOV-HNNXBMFYSA-N 1 2 256.280 3.237 20 30 CGEDLO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)on1 ZINC000611406928 348447544 /nfs/dbraw/zinc/44/75/44/348447544.db2.gz CGHZOJJQICCNRP-OAHLLOKOSA-N 1 2 255.321 3.118 20 30 CGEDLO Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)on1 ZINC000611406927 348447578 /nfs/dbraw/zinc/44/75/78/348447578.db2.gz CGHZOJJQICCNRP-HNNXBMFYSA-N 1 2 255.321 3.118 20 30 CGEDLO C[C@]1(C#N)CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000612108753 348494654 /nfs/dbraw/zinc/49/46/54/348494654.db2.gz SIDIMYDBWISSSA-MRXNPFEDSA-N 1 2 251.333 3.365 20 30 CGEDLO CCOc1ccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162530 348498595 /nfs/dbraw/zinc/49/85/95/348498595.db2.gz HPNGKAUDBUYJCI-QGZVFWFLSA-N 1 2 288.391 3.090 20 30 CGEDLO CCOc1ccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612162530 348498598 /nfs/dbraw/zinc/49/85/98/348498598.db2.gz HPNGKAUDBUYJCI-QGZVFWFLSA-N 1 2 288.391 3.090 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OC ZINC000612406867 348517430 /nfs/dbraw/zinc/51/74/30/348517430.db2.gz VVXGPAKJACZCFA-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OC ZINC000612406867 348517433 /nfs/dbraw/zinc/51/74/33/348517433.db2.gz VVXGPAKJACZCFA-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000614162991 348653752 /nfs/dbraw/zinc/65/37/52/348653752.db2.gz PVLUBHWJSMTAIW-HNNXBMFYSA-N 1 2 296.374 3.208 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000614162991 348653754 /nfs/dbraw/zinc/65/37/54/348653754.db2.gz PVLUBHWJSMTAIW-HNNXBMFYSA-N 1 2 296.374 3.208 20 30 CGEDLO C[C@@H]([NH2+]Cc1cscn1)c1ccc(C#N)cc1F ZINC000358571727 233156595 /nfs/dbraw/zinc/15/65/95/233156595.db2.gz PLZRKCMZJPXJLS-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000618577872 349110196 /nfs/dbraw/zinc/11/01/96/349110196.db2.gz YOLAWVCNJQWINX-TZMCWYRMSA-N 1 2 264.319 3.450 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cscn1 ZINC000619465918 349253156 /nfs/dbraw/zinc/25/31/56/349253156.db2.gz HNZIJYIHAOKUQN-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000619703493 349277174 /nfs/dbraw/zinc/27/71/74/349277174.db2.gz MARSHIAKUUDBNL-PMPSAXMXSA-N 1 2 273.376 3.030 20 30 CGEDLO C=C[C@H]([NH2+][C@H](CCC(C)C)C(C)(C)C)C(=O)OC ZINC000619734738 349280127 /nfs/dbraw/zinc/28/01/27/349280127.db2.gz OYOXZDVBTRPWSO-QWHCGFSZSA-N 1 2 255.402 3.155 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000626569335 350319452 /nfs/dbraw/zinc/31/94/52/350319452.db2.gz YHGSIGCKDOYPFP-CQSZACIVSA-N 1 2 273.380 3.437 20 30 CGEDLO C=CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000573860128 334972557 /nfs/dbraw/zinc/97/25/57/334972557.db2.gz NXADQGXSBDGRPK-UHFFFAOYSA-N 1 2 283.375 3.349 20 30 CGEDLO C=CCCC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000631680671 351117542 /nfs/dbraw/zinc/11/75/42/351117542.db2.gz QLJMQNIVDHEVNP-HNNXBMFYSA-N 1 2 284.407 3.476 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)o1 ZINC000123823942 187110395 /nfs/dbraw/zinc/11/03/95/187110395.db2.gz BUFSLWQSXGRKLU-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)o1 ZINC000123823942 187110396 /nfs/dbraw/zinc/11/03/96/187110396.db2.gz BUFSLWQSXGRKLU-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO CC[N@H+](Cc1nnc(C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000271475475 191161237 /nfs/dbraw/zinc/16/12/37/191161237.db2.gz WQBMBPMGZWNRFV-LLVKDONJSA-N 1 2 286.404 3.301 20 30 CGEDLO CC[N@@H+](Cc1nnc(C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000271475475 191161239 /nfs/dbraw/zinc/16/12/39/191161239.db2.gz WQBMBPMGZWNRFV-LLVKDONJSA-N 1 2 286.404 3.301 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCc2occc2C1 ZINC000459540833 283211711 /nfs/dbraw/zinc/21/17/11/283211711.db2.gz VCLNLEZQFHVBSJ-UHFFFAOYSA-N 1 2 297.314 3.008 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCc2occc2C1 ZINC000459540833 283211713 /nfs/dbraw/zinc/21/17/13/283211713.db2.gz VCLNLEZQFHVBSJ-UHFFFAOYSA-N 1 2 297.314 3.008 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2cnc(C#N)cn2)cc1 ZINC000124172812 138373362 /nfs/dbraw/zinc/37/33/62/138373362.db2.gz CTMNRYKCGIKICA-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2cnc(C#N)cn2)cc1 ZINC000124172812 138373364 /nfs/dbraw/zinc/37/33/64/138373364.db2.gz CTMNRYKCGIKICA-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125379826 138382063 /nfs/dbraw/zinc/38/20/63/138382063.db2.gz XMCVXLWDJSJTAW-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125379826 138382064 /nfs/dbraw/zinc/38/20/64/138382064.db2.gz XMCVXLWDJSJTAW-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1ccccc1C#N ZINC000190765488 138466529 /nfs/dbraw/zinc/46/65/29/138466529.db2.gz ZKLHUCPGUNSWJI-UHFFFAOYSA-N 1 2 252.317 3.403 20 30 CGEDLO Cc1cc(NCc2ccccc2OC2CCC2)c(C#N)c[nH+]1 ZINC000425238687 236222277 /nfs/dbraw/zinc/22/22/77/236222277.db2.gz VFMOIVKSIQJPBZ-UHFFFAOYSA-N 1 2 293.370 3.227 20 30 CGEDLO Cc1cc(NC[C@H]2CCCCC(F)(F)C2)c(C#N)c[nH+]1 ZINC000425270041 236225944 /nfs/dbraw/zinc/22/59/44/236225944.db2.gz SGVHLIRMEQCXPS-LBPRGKRZSA-N 1 2 279.334 3.311 20 30 CGEDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000177256747 189039349 /nfs/dbraw/zinc/03/93/49/189039349.db2.gz BGAHVAAENHUTJA-QGZVFWFLSA-N 1 2 283.350 3.373 20 30 CGEDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000177256747 189039350 /nfs/dbraw/zinc/03/93/50/189039350.db2.gz BGAHVAAENHUTJA-QGZVFWFLSA-N 1 2 283.350 3.373 20 30 CGEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439426290 238255709 /nfs/dbraw/zinc/25/57/09/238255709.db2.gz AWMJOPIVLGKBOD-CYBMUJFWSA-N 1 2 252.720 3.146 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439426290 238255712 /nfs/dbraw/zinc/25/57/12/238255712.db2.gz AWMJOPIVLGKBOD-CYBMUJFWSA-N 1 2 252.720 3.146 20 30 CGEDLO Cn1c2ccccc2[nH+]c1CCCNc1ccc(C#N)cc1 ZINC000301579399 201078699 /nfs/dbraw/zinc/07/86/99/201078699.db2.gz ZWLZVTSQKWONRH-UHFFFAOYSA-N 1 2 290.370 3.490 20 30 CGEDLO N#Cc1ccc(Cl)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301652349 201117076 /nfs/dbraw/zinc/11/70/76/201117076.db2.gz SXFBNGYVEZXTAO-OAHLLOKOSA-N 1 2 299.761 3.264 20 30 CGEDLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000301908543 201257098 /nfs/dbraw/zinc/25/70/98/201257098.db2.gz RKKBQGFVXIHOIN-NSHDSACASA-N 1 2 289.342 3.257 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cncs1 ZINC000119929303 370723361 /nfs/dbraw/zinc/72/33/61/370723361.db2.gz KEJYNKSEDJNWTN-UHFFFAOYSA-N 1 2 250.392 3.393 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncs1 ZINC000119929303 370723364 /nfs/dbraw/zinc/72/33/64/370723364.db2.gz KEJYNKSEDJNWTN-UHFFFAOYSA-N 1 2 250.392 3.393 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1nccc(C#N)c1Cl ZINC000450722447 240052152 /nfs/dbraw/zinc/05/21/52/240052152.db2.gz BTJJYKJYXPNAOI-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000121204860 370839818 /nfs/dbraw/zinc/83/98/18/370839818.db2.gz JFZAONNSWFODTK-UHFFFAOYSA-N 1 2 292.379 3.479 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000121204860 370839823 /nfs/dbraw/zinc/83/98/23/370839823.db2.gz JFZAONNSWFODTK-UHFFFAOYSA-N 1 2 292.379 3.479 20 30 CGEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000121414897 370860031 /nfs/dbraw/zinc/86/00/31/370860031.db2.gz PJSWCKUHXQXHSP-NSHDSACASA-N 1 2 291.782 3.493 20 30 CGEDLO C=CC[N@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000121414897 370860036 /nfs/dbraw/zinc/86/00/36/370860036.db2.gz PJSWCKUHXQXHSP-NSHDSACASA-N 1 2 291.782 3.493 20 30 CGEDLO C=CC[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000121466817 370863510 /nfs/dbraw/zinc/86/35/10/370863510.db2.gz AECFVIOKQYRAQT-UHFFFAOYSA-N 1 2 264.275 3.238 20 30 CGEDLO C=CC[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000121466817 370863515 /nfs/dbraw/zinc/86/35/15/370863515.db2.gz AECFVIOKQYRAQT-UHFFFAOYSA-N 1 2 264.275 3.238 20 30 CGEDLO C#CCOc1ccc(F)cc1NCc1[nH+]ccn1C(C)C ZINC000124647013 370925900 /nfs/dbraw/zinc/92/59/00/370925900.db2.gz NAYMGZBRHQEVCO-UHFFFAOYSA-N 1 2 287.338 3.227 20 30 CGEDLO N#CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000032107717 368924838 /nfs/dbraw/zinc/92/48/38/368924838.db2.gz GCQMGTUNSYTCQB-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000127671529 370956428 /nfs/dbraw/zinc/95/64/28/370956428.db2.gz VPXSRDJUFSAQQW-UHFFFAOYSA-N 1 2 282.347 3.004 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000127671529 370956435 /nfs/dbraw/zinc/95/64/35/370956435.db2.gz VPXSRDJUFSAQQW-UHFFFAOYSA-N 1 2 282.347 3.004 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCOC2(CCCC2)C1 ZINC000128487914 370964228 /nfs/dbraw/zinc/96/42/28/370964228.db2.gz ILLNFMGTXNTYSN-IQGJIOQQSA-N 1 2 259.349 3.303 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1sccc1Br ZINC000087575601 370027798 /nfs/dbraw/zinc/02/77/98/370027798.db2.gz XPNWXWXQSMSHMT-QMMMGPOBSA-N 1 2 273.199 3.292 20 30 CGEDLO CC[N@@H+](Cc1cn(-c2ccccc2)nc1C)C[C@@H](C)C#N ZINC000091982565 370083611 /nfs/dbraw/zinc/08/36/11/370083611.db2.gz ZIJJMXVLCYOFIF-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@H+](Cc1cn(-c2ccccc2)nc1C)C[C@@H](C)C#N ZINC000091982565 370083615 /nfs/dbraw/zinc/08/36/15/370083615.db2.gz ZIJJMXVLCYOFIF-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093090651 370107994 /nfs/dbraw/zinc/10/79/94/370107994.db2.gz MHFYUIONOKTQLY-CQSZACIVSA-N 1 2 271.364 3.103 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093090651 370107996 /nfs/dbraw/zinc/10/79/96/370107996.db2.gz MHFYUIONOKTQLY-CQSZACIVSA-N 1 2 271.364 3.103 20 30 CGEDLO Cc1ccn2c(C[N@@H+](CCC#N)CCC(C)C)cnc2c1 ZINC000093100845 370109494 /nfs/dbraw/zinc/10/94/94/370109494.db2.gz ZEEMNKZUWWBXAI-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccn2c(C[N@H+](CCC#N)CCC(C)C)cnc2c1 ZINC000093100845 370109497 /nfs/dbraw/zinc/10/94/97/370109497.db2.gz ZEEMNKZUWWBXAI-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO CC(C)[N@H+](Cc1cscn1)Cc1ccc(C#N)cc1 ZINC000102949778 370315825 /nfs/dbraw/zinc/31/58/25/370315825.db2.gz HWBNSQRYQQZWDU-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO CC(C)[N@@H+](Cc1cscn1)Cc1ccc(C#N)cc1 ZINC000102949778 370315832 /nfs/dbraw/zinc/31/58/32/370315832.db2.gz HWBNSQRYQQZWDU-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000132266590 371162908 /nfs/dbraw/zinc/16/29/08/371162908.db2.gz JYQICMKDIYYMSW-GFCCVEGCSA-N 1 2 288.782 3.260 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000132266590 371162912 /nfs/dbraw/zinc/16/29/12/371162912.db2.gz JYQICMKDIYYMSW-GFCCVEGCSA-N 1 2 288.782 3.260 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccco1 ZINC000287547985 371670966 /nfs/dbraw/zinc/67/09/66/371670966.db2.gz PPPVUMFCRKTMBX-ZDUSSCGKSA-N 1 2 288.395 3.423 20 30 CGEDLO CC(C)O[C@@H](C[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000428209267 372181888 /nfs/dbraw/zinc/18/18/88/372181888.db2.gz GGLWVJWYMGARED-ZBFHGGJFSA-N 1 2 260.381 3.387 20 30 CGEDLO CC(C)O[C@@H](C[N@@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000428209267 372181894 /nfs/dbraw/zinc/18/18/94/372181894.db2.gz GGLWVJWYMGARED-ZBFHGGJFSA-N 1 2 260.381 3.387 20 30 CGEDLO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCC#N ZINC000425513928 372129733 /nfs/dbraw/zinc/12/97/33/372129733.db2.gz PKRNVXNETYWKJV-UHFFFAOYSA-N 1 2 252.745 3.087 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@@H](CCOC)c1ccccc1 ZINC000428852252 372269027 /nfs/dbraw/zinc/26/90/27/372269027.db2.gz SOZAOUKLTPDLMX-INIZCTEOSA-N 1 2 258.365 3.166 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@@H](CCOC)c1ccccc1 ZINC000428852252 372269037 /nfs/dbraw/zinc/26/90/37/372269037.db2.gz SOZAOUKLTPDLMX-INIZCTEOSA-N 1 2 258.365 3.166 20 30 CGEDLO C=CC[N@H+](C/C=C/c1ccc(F)cc1F)CCC#N ZINC000430092155 372382837 /nfs/dbraw/zinc/38/28/37/372382837.db2.gz XMNLCDVICULEEB-HWKANZROSA-N 1 2 262.303 3.380 20 30 CGEDLO C=CC[N@@H+](C/C=C/c1ccc(F)cc1F)CCC#N ZINC000430092155 372382841 /nfs/dbraw/zinc/38/28/41/372382841.db2.gz XMNLCDVICULEEB-HWKANZROSA-N 1 2 262.303 3.380 20 30 CGEDLO C=CC[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC#N ZINC000430087599 372382850 /nfs/dbraw/zinc/38/28/50/372382850.db2.gz SWPYDOHSGZCEEU-HYXAFXHYSA-N 1 2 262.303 3.380 20 30 CGEDLO C=CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCC#N ZINC000430087599 372382853 /nfs/dbraw/zinc/38/28/53/372382853.db2.gz SWPYDOHSGZCEEU-HYXAFXHYSA-N 1 2 262.303 3.380 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](CC=C)CCC#N)c1 ZINC000430091418 372383181 /nfs/dbraw/zinc/38/31/81/372383181.db2.gz SLRLSFCURJWAIB-UHFFFAOYSA-N 1 2 256.349 3.153 20 30 CGEDLO C=CCOc1cccc(C[N@H+](CC=C)CCC#N)c1 ZINC000430091418 372383188 /nfs/dbraw/zinc/38/31/88/372383188.db2.gz SLRLSFCURJWAIB-UHFFFAOYSA-N 1 2 256.349 3.153 20 30 CGEDLO C#CCCCCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000293859409 372505079 /nfs/dbraw/zinc/50/50/79/372505079.db2.gz GJMAGCNFHBLMPL-KRWDZBQOSA-N 1 2 295.386 3.151 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCc2[nH+]ccn2CC(C)C)n1 ZINC000433405220 372602496 /nfs/dbraw/zinc/60/24/96/372602496.db2.gz DGRBOIZUSGIXOZ-UHFFFAOYSA-N 1 2 283.379 3.035 20 30 CGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cn1)CC(C)(C)C#N ZINC000433323889 372591482 /nfs/dbraw/zinc/59/14/82/372591482.db2.gz ZUTCDUKYVDXASM-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)CC(C)(C)C#N ZINC000433323889 372591488 /nfs/dbraw/zinc/59/14/88/372591488.db2.gz ZUTCDUKYVDXASM-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000434988009 372722122 /nfs/dbraw/zinc/72/21/22/372722122.db2.gz XLXAZTUACKKKDT-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000434988009 372722127 /nfs/dbraw/zinc/72/21/27/372722127.db2.gz XLXAZTUACKKKDT-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO C=C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437157745 372844724 /nfs/dbraw/zinc/84/47/24/372844724.db2.gz UTASBMWGFCRXMQ-UHFFFAOYSA-N 1 2 278.302 3.312 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000171939908 372860370 /nfs/dbraw/zinc/86/03/70/372860370.db2.gz BMRCSGPJNLPCRJ-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000171939908 372860379 /nfs/dbraw/zinc/86/03/79/372860379.db2.gz BMRCSGPJNLPCRJ-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO Cc1cc(NCC2CCC(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000440640134 372989980 /nfs/dbraw/zinc/98/99/80/372989980.db2.gz VJORPZMVTNQLGA-UHFFFAOYSA-N 1 2 272.396 3.072 20 30 CGEDLO COc1cc(C[N@@H+]2CCc3cccc(F)c3C2)ccc1C#N ZINC000442888074 373120200 /nfs/dbraw/zinc/12/02/00/373120200.db2.gz DMVZAPRSKGNDGB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C[N@H+]2CCc3cccc(F)c3C2)ccc1C#N ZINC000442888074 373120207 /nfs/dbraw/zinc/12/02/07/373120207.db2.gz DMVZAPRSKGNDGB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CC1CC[NH+](Cc2nc([C@@H](C)OCC(C)C)no2)CC1 ZINC000173891627 373211476 /nfs/dbraw/zinc/21/14/76/373211476.db2.gz SSUYSSDFCVBXQH-CYBMUJFWSA-N 1 2 293.411 3.201 20 30 CGEDLO CCOc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000176253833 373572234 /nfs/dbraw/zinc/57/22/34/373572234.db2.gz LTBNGEKMQFRCDO-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000176253833 373572240 /nfs/dbraw/zinc/57/22/40/373572240.db2.gz LTBNGEKMQFRCDO-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCc3sccc3C2)cc1 ZINC000178677242 373804313 /nfs/dbraw/zinc/80/43/13/373804313.db2.gz PDNCQMWLTIWTSX-UHFFFAOYSA-N 1 2 271.360 3.297 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCc3sccc3C2)cc1 ZINC000178677242 373804322 /nfs/dbraw/zinc/80/43/22/373804322.db2.gz PDNCQMWLTIWTSX-UHFFFAOYSA-N 1 2 271.360 3.297 20 30 CGEDLO N#Cc1cccc(C#N)c1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000302895073 374000056 /nfs/dbraw/zinc/00/00/56/374000056.db2.gz QOMAZNGKXIMNBY-UHFFFAOYSA-N 1 2 286.294 3.408 20 30 CGEDLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328925807 374394222 /nfs/dbraw/zinc/39/42/22/374394222.db2.gz DZKFAUUGESGNIN-GRYCIOLGSA-N 1 2 261.369 3.050 20 30 CGEDLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328925807 374394230 /nfs/dbraw/zinc/39/42/30/374394230.db2.gz DZKFAUUGESGNIN-GRYCIOLGSA-N 1 2 261.369 3.050 20 30 CGEDLO C[C@@H]1C[C@H](C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCO1 ZINC000329318830 374403921 /nfs/dbraw/zinc/40/39/21/374403921.db2.gz FWBMYHQWBGVESG-IUODEOHRSA-N 1 2 299.374 3.348 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000328804621 374383375 /nfs/dbraw/zinc/38/33/75/374383375.db2.gz CUPWIQVAKIFZTQ-YNEHKIRRSA-N 1 2 261.369 3.382 20 30 CGEDLO O=C(Nc1cccc2c1OCCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329838868 374434306 /nfs/dbraw/zinc/43/43/06/374434306.db2.gz IXSDRKVIMRMAOD-CYBMUJFWSA-N 1 2 297.358 3.059 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454812483 374484937 /nfs/dbraw/zinc/48/49/37/374484937.db2.gz PZXOPXJATQKZIB-CHWSQXEVSA-N 1 2 278.400 3.008 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332235779 374561802 /nfs/dbraw/zinc/56/18/02/374561802.db2.gz NOVDWARURNRHKX-LLVKDONJSA-N 1 2 286.335 3.012 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332235779 374561807 /nfs/dbraw/zinc/56/18/07/374561807.db2.gz NOVDWARURNRHKX-LLVKDONJSA-N 1 2 286.335 3.012 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000185337014 374641417 /nfs/dbraw/zinc/64/14/17/374641417.db2.gz OAUZGXXJKSIYBQ-LBPRGKRZSA-N 1 2 290.407 3.268 20 30 CGEDLO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC000334450084 374760380 /nfs/dbraw/zinc/76/03/80/374760380.db2.gz STFJNXKSCOVGJK-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1cc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC000334450084 374760387 /nfs/dbraw/zinc/76/03/87/374760387.db2.gz STFJNXKSCOVGJK-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO CC#CCCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000186176547 374808284 /nfs/dbraw/zinc/80/82/84/374808284.db2.gz ABBMKGYHPWLIPS-UHFFFAOYSA-N 1 2 267.332 3.209 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)on1 ZINC000334573738 374874649 /nfs/dbraw/zinc/87/46/49/374874649.db2.gz VAJJHSGBTSYRMQ-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)on1 ZINC000334573738 374874654 /nfs/dbraw/zinc/87/46/54/374874654.db2.gz VAJJHSGBTSYRMQ-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000334613695 374906567 /nfs/dbraw/zinc/90/65/67/374906567.db2.gz OJNWEAUQFSXPBL-UHFFFAOYSA-N 1 2 299.374 3.443 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000334613695 374906572 /nfs/dbraw/zinc/90/65/72/374906572.db2.gz OJNWEAUQFSXPBL-UHFFFAOYSA-N 1 2 299.374 3.443 20 30 CGEDLO Cc1ccc2[nH]c(C[N@@H+](C)C[C@H](C)C#N)cc2c1C ZINC000473143895 375045842 /nfs/dbraw/zinc/04/58/42/375045842.db2.gz NNNHVHDYXZHHPR-LLVKDONJSA-N 1 2 255.365 3.376 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+](C)C[C@H](C)C#N)cc2c1C ZINC000473143895 375045848 /nfs/dbraw/zinc/04/58/48/375045848.db2.gz NNNHVHDYXZHHPR-LLVKDONJSA-N 1 2 255.365 3.376 20 30 CGEDLO Fc1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000484097496 375186286 /nfs/dbraw/zinc/18/62/86/375186286.db2.gz VRMPWGJWEBNWHF-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO Fc1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000484097496 375186292 /nfs/dbraw/zinc/18/62/92/375186292.db2.gz VRMPWGJWEBNWHF-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO Cn1cc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1C#N ZINC000191574017 375640440 /nfs/dbraw/zinc/64/04/40/375640440.db2.gz LIPGDNBMFFKWRT-UHFFFAOYSA-N 1 2 299.765 3.049 20 30 CGEDLO CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505781035 375662065 /nfs/dbraw/zinc/66/20/65/375662065.db2.gz DHGPAVQDKMPRDR-ZDUSSCGKSA-N 1 2 288.391 3.283 20 30 CGEDLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505781035 375662073 /nfs/dbraw/zinc/66/20/73/375662073.db2.gz DHGPAVQDKMPRDR-ZDUSSCGKSA-N 1 2 288.391 3.283 20 30 CGEDLO CC(C)c1nc(N2CCC(CCC#N)CC2)cc[nH+]1 ZINC000515837327 375816274 /nfs/dbraw/zinc/81/62/74/375816274.db2.gz SHSFQFXXRGKQTN-UHFFFAOYSA-N 1 2 258.369 3.120 20 30 CGEDLO CC(=O)c1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)on1 ZINC000520248020 375853472 /nfs/dbraw/zinc/85/34/72/375853472.db2.gz LEUQIYCNQMGYIE-UHFFFAOYSA-N 1 2 297.358 3.159 20 30 CGEDLO CC(=O)c1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)on1 ZINC000520248020 375853477 /nfs/dbraw/zinc/85/34/77/375853477.db2.gz LEUQIYCNQMGYIE-UHFFFAOYSA-N 1 2 297.358 3.159 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](C(N)=O)C1 ZINC000336610760 375873173 /nfs/dbraw/zinc/87/31/73/375873173.db2.gz ATTHWYCESRYUOV-YGRLFVJLSA-N 1 2 291.782 3.347 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C(N)=O)C1 ZINC000336610760 375873178 /nfs/dbraw/zinc/87/31/78/375873178.db2.gz ATTHWYCESRYUOV-YGRLFVJLSA-N 1 2 291.782 3.347 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C(N)=O)C1 ZINC000336610758 375873231 /nfs/dbraw/zinc/87/32/31/375873231.db2.gz ATTHWYCESRYUOV-QMTHXVAHSA-N 1 2 291.782 3.347 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C(N)=O)C1 ZINC000336610758 375873234 /nfs/dbraw/zinc/87/32/34/375873234.db2.gz ATTHWYCESRYUOV-QMTHXVAHSA-N 1 2 291.782 3.347 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000521456893 375875645 /nfs/dbraw/zinc/87/56/45/375875645.db2.gz JGNLNSHNVLJDIS-GFCCVEGCSA-N 1 2 293.798 3.177 20 30 CGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603561 375952532 /nfs/dbraw/zinc/95/25/32/375952532.db2.gz ATKPLRVATNEVTG-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603561 375952537 /nfs/dbraw/zinc/95/25/37/375952537.db2.gz ATKPLRVATNEVTG-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@@H](Cc1ccsc1)[N@H+](CCC#N)Cc1cccnc1 ZINC000541202192 376426357 /nfs/dbraw/zinc/42/63/57/376426357.db2.gz BHSGJIVMEMFDAB-AWEZNQCLSA-N 1 2 285.416 3.490 20 30 CGEDLO C[C@@H](Cc1ccsc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC000541202192 376426366 /nfs/dbraw/zinc/42/63/66/376426366.db2.gz BHSGJIVMEMFDAB-AWEZNQCLSA-N 1 2 285.416 3.490 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(C)C)nc1C)C[C@@H](C)C#N ZINC000338944306 376592751 /nfs/dbraw/zinc/59/27/51/376592751.db2.gz DKDCZSALGZQRMZ-ZDUSSCGKSA-N 1 2 259.397 3.495 20 30 CGEDLO CC[N@H+](Cc1ccc(C(C)C)nc1C)C[C@@H](C)C#N ZINC000338944306 376592761 /nfs/dbraw/zinc/59/27/61/376592761.db2.gz DKDCZSALGZQRMZ-ZDUSSCGKSA-N 1 2 259.397 3.495 20 30 CGEDLO C=CCOCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000339110639 376685528 /nfs/dbraw/zinc/68/55/28/376685528.db2.gz ICTMDGSUYQUWIC-CZUORRHYSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000339110639 376685529 /nfs/dbraw/zinc/68/55/29/376685529.db2.gz ICTMDGSUYQUWIC-CZUORRHYSA-N 1 2 295.810 3.304 20 30 CGEDLO C=C1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000264505669 190114576 /nfs/dbraw/zinc/11/45/76/190114576.db2.gz WJTHDXGAMHOUTJ-UHFFFAOYSA-N 1 2 273.355 3.347 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000264504265 190114842 /nfs/dbraw/zinc/11/48/42/190114842.db2.gz WECSOEDATSCXFJ-UHFFFAOYSA-N 1 2 278.783 3.239 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C(C)(C)C)no1 ZINC000237445114 376742028 /nfs/dbraw/zinc/74/20/28/376742028.db2.gz NOQCKMGUZUVMLA-SECBINFHSA-N 1 2 290.392 3.151 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ccnc(C)n1)c1ccc(F)c(F)c1 ZINC000339354993 376746080 /nfs/dbraw/zinc/74/60/80/376746080.db2.gz KWRIRWDRQKELFH-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)OCC ZINC000339418885 376752914 /nfs/dbraw/zinc/75/29/14/376752914.db2.gz GLDCHYDMPHUNPZ-HNNXBMFYSA-N 1 2 287.363 3.181 20 30 CGEDLO CCc1nocc1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000339603828 376768834 /nfs/dbraw/zinc/76/88/34/376768834.db2.gz SXUBLBVRFNNUEJ-UHFFFAOYSA-N 1 2 288.778 3.374 20 30 CGEDLO CCc1nocc1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000339603828 376768842 /nfs/dbraw/zinc/76/88/42/376768842.db2.gz SXUBLBVRFNNUEJ-UHFFFAOYSA-N 1 2 288.778 3.374 20 30 CGEDLO CC(C)(C#N)[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000556680799 376869950 /nfs/dbraw/zinc/86/99/50/376869950.db2.gz BMBFKLWBDZSRAA-UHFFFAOYSA-N 1 2 264.413 3.350 20 30 CGEDLO C=C(CC)C[N@@H+](CC(=O)OCC)Cc1ccc(F)cc1 ZINC000566025775 377492203 /nfs/dbraw/zinc/49/22/03/377492203.db2.gz KLJZQRAQASPXSY-UHFFFAOYSA-N 1 2 279.355 3.157 20 30 CGEDLO C=C(CC)C[N@H+](CC(=O)OCC)Cc1ccc(F)cc1 ZINC000566025775 377492211 /nfs/dbraw/zinc/49/22/11/377492211.db2.gz KLJZQRAQASPXSY-UHFFFAOYSA-N 1 2 279.355 3.157 20 30 CGEDLO Cc1cc(NCc2ccc(C#N)cc2)nc(C2CC2)[nH+]1 ZINC000265393596 190179017 /nfs/dbraw/zinc/17/90/17/190179017.db2.gz VMBNPMWNMDJBEY-UHFFFAOYSA-N 1 2 264.332 3.146 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OCC(C)C)c1 ZINC000342675850 377726914 /nfs/dbraw/zinc/72/69/14/377726914.db2.gz CAFWKKRHSJBSRI-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OCC(C)C)c1 ZINC000342675850 377726924 /nfs/dbraw/zinc/72/69/24/377726924.db2.gz CAFWKKRHSJBSRI-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO Cc1c[nH+]c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000342794642 377798480 /nfs/dbraw/zinc/79/84/80/377798480.db2.gz UVGHDLURYCXNMU-SJORKVTESA-N 1 2 294.402 3.000 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)s1 ZINC000343358710 377960139 /nfs/dbraw/zinc/96/01/39/377960139.db2.gz IVMUJVIZTIIWFM-UHFFFAOYSA-N 1 2 284.388 3.227 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccccc1OC(F)F ZINC000267910412 378046187 /nfs/dbraw/zinc/04/61/87/378046187.db2.gz DKZRSVGQZNSXRS-SNVBAGLBSA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1OC(F)F ZINC000267910412 378046193 /nfs/dbraw/zinc/04/61/93/378046193.db2.gz DKZRSVGQZNSXRS-SNVBAGLBSA-N 1 2 254.280 3.022 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000612062798 378406948 /nfs/dbraw/zinc/40/69/48/378406948.db2.gz YHNRCBXBFUWZBJ-MRXNPFEDSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000612062798 378406952 /nfs/dbraw/zinc/40/69/52/378406952.db2.gz YHNRCBXBFUWZBJ-MRXNPFEDSA-N 1 2 296.374 3.171 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)o1 ZINC000266204986 190240046 /nfs/dbraw/zinc/24/00/46/190240046.db2.gz MKEGZKYRQVWGIU-OAHLLOKOSA-N 1 2 256.280 3.067 20 30 CGEDLO C#CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CC1 ZINC000274224733 378795049 /nfs/dbraw/zinc/79/50/49/378795049.db2.gz VTDRJBCZJCLHDH-UHFFFAOYSA-N 1 2 275.302 3.029 20 30 CGEDLO C#CC[N@H+](Cc1nc2ccccc2n1C(F)F)C1CC1 ZINC000274224733 378795055 /nfs/dbraw/zinc/79/50/55/378795055.db2.gz VTDRJBCZJCLHDH-UHFFFAOYSA-N 1 2 275.302 3.029 20 30 CGEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000348027171 378758548 /nfs/dbraw/zinc/75/85/48/378758548.db2.gz FLSSOKLEMIMPMP-INIZCTEOSA-N 1 2 295.810 3.306 20 30 CGEDLO C=CCOCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000348027171 378758554 /nfs/dbraw/zinc/75/85/54/378758554.db2.gz FLSSOKLEMIMPMP-INIZCTEOSA-N 1 2 295.810 3.306 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348266061 378873384 /nfs/dbraw/zinc/87/33/84/378873384.db2.gz IRLZJRJZKMTGKZ-HNNXBMFYSA-N 1 2 297.402 3.150 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000275108605 378938630 /nfs/dbraw/zinc/93/86/30/378938630.db2.gz GQKIEBZQFLCRIJ-RDJZCZTQSA-N 1 2 297.402 3.138 20 30 CGEDLO C=CCC[C@@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC000275201683 378948435 /nfs/dbraw/zinc/94/84/35/378948435.db2.gz YNEYOUUCIREVOC-OAHLLOKOSA-N 1 2 283.375 3.084 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000639132568 379057376 /nfs/dbraw/zinc/05/73/76/379057376.db2.gz QMJIELHNBKPRPK-ZIAGYGMSSA-N 1 2 262.401 3.370 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCc2cn3ccccc3[nH+]2)c1 ZINC000347402453 218222004 /nfs/dbraw/zinc/22/20/04/218222004.db2.gz FWRZDLJGIFWJJK-UHFFFAOYSA-N 1 2 290.326 3.021 20 30 CGEDLO C[C@@H](CC1CCOCC1)C[N@H+](CCC#N)Cc1ccco1 ZINC000349857084 379423557 /nfs/dbraw/zinc/42/35/57/379423557.db2.gz JGYFGJCBRQAFGH-HNNXBMFYSA-N 1 2 290.407 3.448 20 30 CGEDLO C[C@@H](CC1CCOCC1)C[N@@H+](CCC#N)Cc1ccco1 ZINC000349857084 379423561 /nfs/dbraw/zinc/42/35/61/379423561.db2.gz JGYFGJCBRQAFGH-HNNXBMFYSA-N 1 2 290.407 3.448 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000350051619 379491168 /nfs/dbraw/zinc/49/11/68/379491168.db2.gz HLYHGQKWUKFIKU-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000350051619 379491175 /nfs/dbraw/zinc/49/11/75/379491175.db2.gz HLYHGQKWUKFIKU-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccon2)c1 ZINC000351581219 379728594 /nfs/dbraw/zinc/72/85/94/379728594.db2.gz MZXAXRKAZPYIRZ-LBPRGKRZSA-N 1 2 258.321 3.090 20 30 CGEDLO C=CCOCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351614656 379732325 /nfs/dbraw/zinc/73/23/25/379732325.db2.gz HUTDJFRBLTVUAN-UHFFFAOYSA-N 1 2 284.315 3.015 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351825647 379745853 /nfs/dbraw/zinc/74/58/53/379745853.db2.gz INDBWXMENLTTEU-UHFFFAOYSA-N 1 2 252.289 3.132 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000351825647 379745857 /nfs/dbraw/zinc/74/58/57/379745857.db2.gz INDBWXMENLTTEU-UHFFFAOYSA-N 1 2 252.289 3.132 20 30 CGEDLO C=C(C)C(C)(C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000351282973 379701733 /nfs/dbraw/zinc/70/17/33/379701733.db2.gz CRYYVPUGRXUWFT-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1ccc(OC)c(C#N)c1 ZINC000352548338 379853208 /nfs/dbraw/zinc/85/32/08/379853208.db2.gz PRFQEJVZLFVSDD-UHFFFAOYSA-N 1 2 282.343 3.412 20 30 CGEDLO COc1ccc(Cl)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352467466 379827574 /nfs/dbraw/zinc/82/75/74/379827574.db2.gz KVIVQVSYCVHBIF-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000391930658 379910227 /nfs/dbraw/zinc/91/02/27/379910227.db2.gz XSJVLKVLJZNQOX-MRVPVSSYSA-N 1 2 292.795 3.222 20 30 CGEDLO Cc1ccc(C[C@H](C)Nc2cc(C)[nH+]cc2C#N)s1 ZINC000399373445 379938232 /nfs/dbraw/zinc/93/82/32/379938232.db2.gz AOOPGTDRHBSCHK-NSHDSACASA-N 1 2 271.389 3.097 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H]2CCCOc3ccccc32)n1 ZINC000352839414 379994793 /nfs/dbraw/zinc/99/47/93/379994793.db2.gz KCKOOEAPPKLFMK-ZDUSSCGKSA-N 1 2 285.372 3.018 20 30 CGEDLO CCC(CC)c1cc(C[NH2+]Cc2nc(C#N)cs2)on1 ZINC000352849562 380004040 /nfs/dbraw/zinc/00/40/40/380004040.db2.gz WRFGQEQPJYUNLJ-UHFFFAOYSA-N 1 2 290.392 3.196 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C)nc1 ZINC000352902767 380028843 /nfs/dbraw/zinc/02/88/43/380028843.db2.gz NSCYDHMXCIJLAE-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C)nc1 ZINC000352902767 380028847 /nfs/dbraw/zinc/02/88/47/380028847.db2.gz NSCYDHMXCIJLAE-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)o1 ZINC000353024330 380079531 /nfs/dbraw/zinc/07/95/31/380079531.db2.gz ZYKUCEBALLKDAP-UHFFFAOYSA-N 1 2 254.280 3.209 20 30 CGEDLO CCc1ccc(CN2CC[NH+]([C@H](C)CCC#N)CC2)s1 ZINC000411288887 380139077 /nfs/dbraw/zinc/13/90/77/380139077.db2.gz FUZVAZFFEJDQET-CQSZACIVSA-N 1 2 291.464 3.120 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1c(F)cncc1F ZINC000353121811 380126038 /nfs/dbraw/zinc/12/60/38/380126038.db2.gz TVLRVPDPAPRLKF-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000411159927 380132354 /nfs/dbraw/zinc/13/23/54/380132354.db2.gz AIBNHPJRJMBBQB-CYBMUJFWSA-N 1 2 290.432 3.410 20 30 CGEDLO Cc1[nH+]cc(CN(C[C@@H](C)C#N)C2CC2)n1-c1ccccc1 ZINC000354035316 380292308 /nfs/dbraw/zinc/29/23/08/380292308.db2.gz XIVVNPBNFNVLJJ-AWEZNQCLSA-N 1 2 294.402 3.305 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000358498732 381311348 /nfs/dbraw/zinc/31/13/48/381311348.db2.gz MNWMWFMNFRQPEY-INIZCTEOSA-N 1 2 261.365 3.035 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000358498732 381311355 /nfs/dbraw/zinc/31/13/55/381311355.db2.gz MNWMWFMNFRQPEY-INIZCTEOSA-N 1 2 261.365 3.035 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1c(F)cncc1F ZINC000353199168 533341178 /nfs/dbraw/zinc/34/11/78/533341178.db2.gz BIGITTJDNJYYQN-GFCCVEGCSA-N 1 2 272.298 3.062 20 30 CGEDLO COc1ccc(CN(C)c2cc(C)[nH+]cc2C#N)cc1C ZINC000425221547 533545739 /nfs/dbraw/zinc/54/57/39/533545739.db2.gz GOWMZCWJWBCSFV-UHFFFAOYSA-N 1 2 281.359 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093982765 392240840 /nfs/dbraw/zinc/24/08/40/392240840.db2.gz BTNRNMVSRZJMAO-VIFPVBQESA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093982765 392240844 /nfs/dbraw/zinc/24/08/44/392240844.db2.gz BTNRNMVSRZJMAO-VIFPVBQESA-N 1 2 285.160 3.322 20 30 CGEDLO N#Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000505248816 392653201 /nfs/dbraw/zinc/65/32/01/392653201.db2.gz HBMHNFFSXNZSGX-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338925836 392935437 /nfs/dbraw/zinc/93/54/37/392935437.db2.gz MRGIVIDTZYMTIF-MRXNPFEDSA-N 1 2 286.379 3.170 20 30 CGEDLO N#CCCOCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000338957654 392938218 /nfs/dbraw/zinc/93/82/18/392938218.db2.gz OGQQBOKQJGPFBV-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO N#CCCOCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000338957654 392938222 /nfs/dbraw/zinc/93/82/22/392938222.db2.gz OGQQBOKQJGPFBV-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC#N ZINC000411613329 392982731 /nfs/dbraw/zinc/98/27/31/392982731.db2.gz CCLHNYAVLFZJAX-VIFPVBQESA-N 1 2 283.169 3.022 20 30 CGEDLO COc1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1Cl ZINC000412036836 392994688 /nfs/dbraw/zinc/99/46/88/392994688.db2.gz HXMROCSRPPPUMH-ZDUSSCGKSA-N 1 2 291.782 3.224 20 30 CGEDLO COc1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1Cl ZINC000412036836 392994694 /nfs/dbraw/zinc/99/46/94/392994694.db2.gz HXMROCSRPPPUMH-ZDUSSCGKSA-N 1 2 291.782 3.224 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+](CCC(C)(C)C#N)CCO2)ccc1F ZINC000537411341 393000143 /nfs/dbraw/zinc/00/01/43/393000143.db2.gz MNKNEPDFHYTXQT-INIZCTEOSA-N 1 2 290.382 3.447 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)ccc1F ZINC000537411341 393000150 /nfs/dbraw/zinc/00/01/50/393000150.db2.gz MNKNEPDFHYTXQT-INIZCTEOSA-N 1 2 290.382 3.447 20 30 CGEDLO N#CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000342844271 393010993 /nfs/dbraw/zinc/01/09/93/393010993.db2.gz FHTHTKQKZZABBD-UHFFFAOYSA-N 1 2 277.780 3.467 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cn(C)nc1-c1ccccc1)C1CC1 ZINC000342898852 393012181 /nfs/dbraw/zinc/01/21/81/393012181.db2.gz CSXZKXCABSNCNI-CQSZACIVSA-N 1 2 294.402 3.211 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cn(C)nc1-c1ccccc1)C1CC1 ZINC000342898852 393012189 /nfs/dbraw/zinc/01/21/89/393012189.db2.gz CSXZKXCABSNCNI-CQSZACIVSA-N 1 2 294.402 3.211 20 30 CGEDLO C=CCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000648912058 393289632 /nfs/dbraw/zinc/28/96/32/393289632.db2.gz CFKZOPVJAZVAED-HNNXBMFYSA-N 1 2 287.407 3.183 20 30 CGEDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356048306 393353514 /nfs/dbraw/zinc/35/35/14/393353514.db2.gz CANAGMPZIZBKRQ-SNVBAGLBSA-N 1 2 275.352 3.347 20 30 CGEDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356048306 393353518 /nfs/dbraw/zinc/35/35/18/393353518.db2.gz CANAGMPZIZBKRQ-SNVBAGLBSA-N 1 2 275.352 3.347 20 30 CGEDLO N#Cc1cscc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000432596019 393622204 /nfs/dbraw/zinc/62/22/04/393622204.db2.gz ZGQRGPSSHQUOFI-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C)cc(C)c1C#N)CCC2 ZINC000361189088 393698874 /nfs/dbraw/zinc/69/88/74/393698874.db2.gz PPBWMGGRTAWCGY-AWEZNQCLSA-N 1 2 295.390 3.065 20 30 CGEDLO C=CCC[C@@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000450902493 394038585 /nfs/dbraw/zinc/03/85/85/394038585.db2.gz YBJGFGKOCLVLMP-ZDUSSCGKSA-N 1 2 260.312 3.113 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000668167951 542979515 /nfs/dbraw/zinc/97/95/15/542979515.db2.gz INNVQGKWTWQRMN-CQSZACIVSA-N 1 2 298.390 3.463 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000350615950 397685069 /nfs/dbraw/zinc/68/50/69/397685069.db2.gz LWPXJWWAGFVGGI-LJQANCHMSA-N 1 2 292.382 3.002 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000350615950 397685071 /nfs/dbraw/zinc/68/50/71/397685071.db2.gz LWPXJWWAGFVGGI-LJQANCHMSA-N 1 2 292.382 3.002 20 30 CGEDLO C=CCCOCCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678841471 543566098 /nfs/dbraw/zinc/56/60/98/543566098.db2.gz VLQXQFVDBNEBCE-UHFFFAOYSA-N 1 2 287.363 3.036 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000127296054 287284841 /nfs/dbraw/zinc/28/48/41/287284841.db2.gz QAUFNJDLJMSPKS-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000127296054 287284843 /nfs/dbraw/zinc/28/48/43/287284843.db2.gz QAUFNJDLJMSPKS-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000078514897 177349113 /nfs/dbraw/zinc/34/91/13/177349113.db2.gz FUBFSMHJZXWQLM-UHFFFAOYSA-N 1 2 297.358 3.480 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000078514897 177349114 /nfs/dbraw/zinc/34/91/14/177349114.db2.gz FUBFSMHJZXWQLM-UHFFFAOYSA-N 1 2 297.358 3.480 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425072 543709878 /nfs/dbraw/zinc/70/98/78/543709878.db2.gz OCPZGTSFSIRLQE-NWDGAFQWSA-N 1 2 287.338 3.328 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000680424521 543710109 /nfs/dbraw/zinc/71/01/09/543710109.db2.gz BMCPFRYMZZIVEY-CHWSQXEVSA-N 1 2 299.374 3.198 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)nn1 ZINC000653480073 419033479 /nfs/dbraw/zinc/03/34/79/419033479.db2.gz QYIRDTZLPWDGGM-CQSZACIVSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2cccs2)nn1 ZINC000653480073 419033481 /nfs/dbraw/zinc/03/34/81/419033481.db2.gz QYIRDTZLPWDGGM-CQSZACIVSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2ccccc2F)nn1 ZINC000653695440 419073516 /nfs/dbraw/zinc/07/35/16/419073516.db2.gz QAMVOCAACMCNPR-UHFFFAOYSA-N 1 2 288.370 3.018 20 30 CGEDLO C=C(CC)Cn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000656452420 419172386 /nfs/dbraw/zinc/17/23/86/419172386.db2.gz HETFMDQSHJBRLQ-UHFFFAOYSA-N 1 2 295.390 3.259 20 30 CGEDLO N#CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000353106386 228060239 /nfs/dbraw/zinc/06/02/39/228060239.db2.gz BXPZHCVZKJEQPZ-UHFFFAOYSA-N 1 2 293.326 3.002 20 30 CGEDLO N#CC1CCC(CNc2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000333367895 228198498 /nfs/dbraw/zinc/19/84/98/228198498.db2.gz YMVKLPLGPFUEDN-UHFFFAOYSA-N 1 2 296.418 3.006 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1cnccn1 ZINC000297731178 260133181 /nfs/dbraw/zinc/13/31/81/260133181.db2.gz BYZJBNALOAZITK-CYBMUJFWSA-N 1 2 271.339 3.365 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)c1cnccn1 ZINC000297731178 260133182 /nfs/dbraw/zinc/13/31/82/260133182.db2.gz BYZJBNALOAZITK-CYBMUJFWSA-N 1 2 271.339 3.365 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(C2CC2)no1 ZINC000298815332 260162613 /nfs/dbraw/zinc/16/26/13/260162613.db2.gz FTTXQFAKLYORTL-GFCCVEGCSA-N 1 2 287.363 3.332 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(C2CC2)no1 ZINC000298815332 260162614 /nfs/dbraw/zinc/16/26/14/260162614.db2.gz FTTXQFAKLYORTL-GFCCVEGCSA-N 1 2 287.363 3.332 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000161910674 261263063 /nfs/dbraw/zinc/26/30/63/261263063.db2.gz XWQYXAYGDPFHTP-LLVKDONJSA-N 1 2 286.297 3.318 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000161910674 261263066 /nfs/dbraw/zinc/26/30/66/261263066.db2.gz XWQYXAYGDPFHTP-LLVKDONJSA-N 1 2 286.297 3.318 20 30 CGEDLO C=CC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000111258933 262259172 /nfs/dbraw/zinc/25/91/72/262259172.db2.gz IIIXXCLWTZCYNN-UHFFFAOYSA-N 1 2 283.375 3.058 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000365443043 262365572 /nfs/dbraw/zinc/36/55/72/262365572.db2.gz MFMTXTUUYAJNGR-CQSZACIVSA-N 1 2 276.380 3.373 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000365443043 262365573 /nfs/dbraw/zinc/36/55/73/262365573.db2.gz MFMTXTUUYAJNGR-CQSZACIVSA-N 1 2 276.380 3.373 20 30 CGEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000272517463 263005740 /nfs/dbraw/zinc/00/57/40/263005740.db2.gz GYVYHOAMNAAWKO-ZDUSSCGKSA-N 1 2 296.374 3.423 20 30 CGEDLO CC(C)(C)c1cnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000272613220 263007698 /nfs/dbraw/zinc/00/76/98/263007698.db2.gz SRZRGDCXMPLYSA-UHFFFAOYSA-N 1 2 261.369 3.098 20 30 CGEDLO N#CCCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000273188946 263013653 /nfs/dbraw/zinc/01/36/53/263013653.db2.gz GLNFNRPDEKOUMW-CYBMUJFWSA-N 1 2 252.308 3.146 20 30 CGEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000273547240 263017870 /nfs/dbraw/zinc/01/78/70/263017870.db2.gz YBNVDTHQKQLFQE-CQSZACIVSA-N 1 2 277.368 3.300 20 30 CGEDLO Cc1ccc2[nH+]cc(CN3CCCC(C)(C)[C@@H]3C#N)n2c1 ZINC000278364618 263047412 /nfs/dbraw/zinc/04/74/12/263047412.db2.gz JYYVMJMBGRCQAM-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO Cc1cc(Cl)cc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000353460804 263076546 /nfs/dbraw/zinc/07/65/46/263076546.db2.gz LNGVJLYAGAWSCO-UHFFFAOYSA-N 1 2 266.747 3.476 20 30 CGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CC[C@H](C#N)C1 ZINC000292897023 263136097 /nfs/dbraw/zinc/13/60/97/263136097.db2.gz VREKIQAYFKOKAH-DTWKUNHWSA-N 1 2 289.326 3.286 20 30 CGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CC[C@H](C#N)C1 ZINC000292897023 263136098 /nfs/dbraw/zinc/13/60/98/263136098.db2.gz VREKIQAYFKOKAH-DTWKUNHWSA-N 1 2 289.326 3.286 20 30 CGEDLO CCCCCCCCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298423213 263219515 /nfs/dbraw/zinc/21/95/15/263219515.db2.gz CCDWWEBMKYTYOS-CQSZACIVSA-N 1 2 265.401 3.138 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000299176663 263233505 /nfs/dbraw/zinc/23/35/05/263233505.db2.gz XYJHLSBKVVHECM-LBPRGKRZSA-N 1 2 271.389 3.402 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000299176663 263233507 /nfs/dbraw/zinc/23/35/07/263233507.db2.gz XYJHLSBKVVHECM-LBPRGKRZSA-N 1 2 271.389 3.402 20 30 CGEDLO C=CCC(C)(C)c1noc(CCc2c[nH+]cc(C)c2)n1 ZINC000340826929 263308421 /nfs/dbraw/zinc/30/84/21/263308421.db2.gz PDXOWGRKCQQDLM-UHFFFAOYSA-N 1 2 271.364 3.412 20 30 CGEDLO CC(C)(C)c1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000330864152 264057253 /nfs/dbraw/zinc/05/72/53/264057253.db2.gz WTFYUWPTTOBLFL-CJNGLKHVSA-N 1 2 299.418 3.204 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000132214009 264385873 /nfs/dbraw/zinc/38/58/73/264385873.db2.gz JMVRYWZFLDCZIX-UHFFFAOYSA-N 1 2 283.375 3.027 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880676 264419492 /nfs/dbraw/zinc/41/94/92/264419492.db2.gz FUHWHHNGRUKTHX-CQSZACIVSA-N 1 2 299.418 3.373 20 30 CGEDLO C=CCC(F)(F)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000293231291 264919029 /nfs/dbraw/zinc/91/90/29/264919029.db2.gz SMMVBBHOUTXOSS-UHFFFAOYSA-N 1 2 265.263 3.032 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356190145 266067248 /nfs/dbraw/zinc/06/72/48/266067248.db2.gz HGOOLXPELLICKT-JTQLQIEISA-N 1 2 281.281 3.311 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356190145 266067250 /nfs/dbraw/zinc/06/72/50/266067250.db2.gz HGOOLXPELLICKT-JTQLQIEISA-N 1 2 281.281 3.311 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccccc2C)n1)C1CC1 ZINC000357549973 266320432 /nfs/dbraw/zinc/32/04/32/266320432.db2.gz GCVFGKDKVTVOTK-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccccc2C)n1)C1CC1 ZINC000357549973 266320434 /nfs/dbraw/zinc/32/04/34/266320434.db2.gz GCVFGKDKVTVOTK-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C1CC1 ZINC000357550997 266322046 /nfs/dbraw/zinc/32/20/46/266322046.db2.gz JHIFMKVELMZNSR-UHFFFAOYSA-N 1 2 288.782 3.071 20 30 CGEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C1CC1 ZINC000357550997 266322051 /nfs/dbraw/zinc/32/20/51/266322051.db2.gz JHIFMKVELMZNSR-UHFFFAOYSA-N 1 2 288.782 3.071 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)C1CC1 ZINC000357557917 266325461 /nfs/dbraw/zinc/32/54/61/266325461.db2.gz YUJBIGAXBDMICC-UHFFFAOYSA-N 1 2 273.336 3.097 20 30 CGEDLO C=CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)C1CC1 ZINC000357557917 266325462 /nfs/dbraw/zinc/32/54/62/266325462.db2.gz YUJBIGAXBDMICC-UHFFFAOYSA-N 1 2 273.336 3.097 20 30 CGEDLO C=CCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371247377 267377324 /nfs/dbraw/zinc/37/73/24/267377324.db2.gz MPBVWTSGQZDGHR-UHFFFAOYSA-N 1 2 255.321 3.290 20 30 CGEDLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)c(F)c1 ZINC000530470771 270200278 /nfs/dbraw/zinc/20/02/78/270200278.db2.gz IKYKZYZLFCLKCX-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO N#Cc1csc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000531217439 270205281 /nfs/dbraw/zinc/20/52/81/270205281.db2.gz WUUXXEFREPABDJ-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000289682886 276133806 /nfs/dbraw/zinc/13/38/06/276133806.db2.gz HSERMNOYUFGQHK-HZPDHXFCSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000289682886 276133807 /nfs/dbraw/zinc/13/38/07/276133807.db2.gz HSERMNOYUFGQHK-HZPDHXFCSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@H]2O1 ZINC000440943674 278336678 /nfs/dbraw/zinc/33/66/78/278336678.db2.gz JETLZKFATODCCE-HZPDHXFCSA-N 1 2 288.366 3.229 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@H]2O1 ZINC000440943674 278336680 /nfs/dbraw/zinc/33/66/80/278336680.db2.gz JETLZKFATODCCE-HZPDHXFCSA-N 1 2 288.366 3.229 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](CCC#N)C(C)C ZINC000534337902 328049503 /nfs/dbraw/zinc/04/95/03/328049503.db2.gz CGNBHWRMJDDFBO-UHFFFAOYSA-N 1 2 282.391 3.305 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+](CCC#N)C(C)C ZINC000534337902 328049504 /nfs/dbraw/zinc/04/95/04/328049504.db2.gz CGNBHWRMJDDFBO-UHFFFAOYSA-N 1 2 282.391 3.305 20 30 CGEDLO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000161013679 328117783 /nfs/dbraw/zinc/11/77/83/328117783.db2.gz LHUWCKCVHZHTAU-NHYWBVRUSA-N 1 2 277.318 3.449 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(C)cc1 ZINC000564379560 322029211 /nfs/dbraw/zinc/02/92/11/322029211.db2.gz PMZODRWGOBPWCW-UHFFFAOYSA-N 1 2 271.389 3.345 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(C)cc1 ZINC000564379560 322029212 /nfs/dbraw/zinc/02/92/12/322029212.db2.gz PMZODRWGOBPWCW-UHFFFAOYSA-N 1 2 271.389 3.345 20 30 CGEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)n1 ZINC000569633348 322252695 /nfs/dbraw/zinc/25/26/95/322252695.db2.gz AZYJOWGNNIGDNE-AWEZNQCLSA-N 1 2 284.388 3.055 20 30 CGEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)n1 ZINC000569633348 322252697 /nfs/dbraw/zinc/25/26/97/322252697.db2.gz AZYJOWGNNIGDNE-AWEZNQCLSA-N 1 2 284.388 3.055 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000517902412 327141981 /nfs/dbraw/zinc/14/19/81/327141981.db2.gz DZZVZHRKMHLJNI-GFCCVEGCSA-N 1 2 271.339 3.236 20 30 CGEDLO C=CCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377797247 329029776 /nfs/dbraw/zinc/02/97/76/329029776.db2.gz TYDHMXIQUVXUNM-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO C=CCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377797247 329029777 /nfs/dbraw/zinc/02/97/77/329029777.db2.gz TYDHMXIQUVXUNM-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO C=CCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377797248 329029798 /nfs/dbraw/zinc/02/97/98/329029798.db2.gz TYDHMXIQUVXUNM-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C=CCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377797248 329029799 /nfs/dbraw/zinc/02/97/99/329029799.db2.gz TYDHMXIQUVXUNM-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000180165546 329218316 /nfs/dbraw/zinc/21/83/16/329218316.db2.gz GKYWPYBUDCOKNT-SFHVURJKSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000180165546 329218317 /nfs/dbraw/zinc/21/83/17/329218317.db2.gz GKYWPYBUDCOKNT-SFHVURJKSA-N 1 2 299.370 3.418 20 30 CGEDLO O=C1c2cccc(F)c2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000180313130 329219579 /nfs/dbraw/zinc/21/95/79/329219579.db2.gz UYGVVYALMCESHT-PKNBQFBNSA-N 1 2 294.285 3.132 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](CCC(C)C)c2ccoc2)nn1 ZINC000424299520 330336894 /nfs/dbraw/zinc/33/68/94/330336894.db2.gz VMVRCEIEDGYRJO-MRXNPFEDSA-N 1 2 288.395 3.324 20 30 CGEDLO COc1ccc(Cl)cc1C[NH+]1CCC(C#N)CC1 ZINC000057906125 330381098 /nfs/dbraw/zinc/38/10/98/330381098.db2.gz CDWZLVMAQSYGNI-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccco1 ZINC000428444196 330523675 /nfs/dbraw/zinc/52/36/75/330523675.db2.gz UOWWHXMSGJESJL-CYBMUJFWSA-N 1 2 282.347 3.119 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3ccccc3[nH+]2)CCCCC1 ZINC000448579241 330685680 /nfs/dbraw/zinc/68/56/80/330685680.db2.gz RVKAEBPWDZHMKS-UHFFFAOYSA-N 1 2 297.402 3.477 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccco1 ZINC000453323615 331116722 /nfs/dbraw/zinc/11/67/22/331116722.db2.gz RYXGJAMBTRQBAM-GFCCVEGCSA-N 1 2 279.771 3.464 20 30 CGEDLO C=CCCc1ccccc1NC(=O)NCc1[nH+]ccn1CC ZINC000455381081 331167973 /nfs/dbraw/zinc/16/79/73/331167973.db2.gz IWXDMXBHIJTKRB-UHFFFAOYSA-N 1 2 298.390 3.343 20 30 CGEDLO C=CCC1(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CCCC1 ZINC000456396533 331192028 /nfs/dbraw/zinc/19/20/28/331192028.db2.gz BCBWOGABMIFPMP-QWHCGFSZSA-N 1 2 273.380 3.142 20 30 CGEDLO C=CCC[NH2+][C@@H](C(=O)OCC)c1cccc(C)c1C ZINC000459625216 331291060 /nfs/dbraw/zinc/29/10/60/331291060.db2.gz HSHCQZDFKMBPBW-OAHLLOKOSA-N 1 2 261.365 3.073 20 30 CGEDLO CC#CC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000463234397 331343279 /nfs/dbraw/zinc/34/32/79/331343279.db2.gz UBQPENIXZXDCQA-DOTOQJQBSA-N 1 2 257.377 3.089 20 30 CGEDLO CC#CC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000463234397 331343280 /nfs/dbraw/zinc/34/32/80/331343280.db2.gz UBQPENIXZXDCQA-DOTOQJQBSA-N 1 2 257.377 3.089 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(N(CC)C(C)=O)n1 ZINC000489456415 332053913 /nfs/dbraw/zinc/05/39/13/332053913.db2.gz OHYGPFRZAXGYAH-CQSZACIVSA-N 1 2 293.436 3.056 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(N(CC)C(C)=O)n1 ZINC000489456415 332053915 /nfs/dbraw/zinc/05/39/15/332053915.db2.gz OHYGPFRZAXGYAH-CQSZACIVSA-N 1 2 293.436 3.056 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C(C)C)s1)C1CCCCC1 ZINC000491255149 332175469 /nfs/dbraw/zinc/17/54/69/332175469.db2.gz WFBOQUAYCVAEAF-UHFFFAOYSA-N 1 2 277.437 3.429 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C(C)C)s1)C1CCCCC1 ZINC000491255149 332175470 /nfs/dbraw/zinc/17/54/70/332175470.db2.gz WFBOQUAYCVAEAF-UHFFFAOYSA-N 1 2 277.437 3.429 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000491393599 332203287 /nfs/dbraw/zinc/20/32/87/332203287.db2.gz IOMOURADAIMWPQ-NSHDSACASA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000491393599 332203288 /nfs/dbraw/zinc/20/32/88/332203288.db2.gz IOMOURADAIMWPQ-NSHDSACASA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ncc(CC)s1)c1ccc(F)cc1 ZINC000491495751 332222908 /nfs/dbraw/zinc/22/29/08/332222908.db2.gz LQOBJOIHBYUURR-AWEZNQCLSA-N 1 2 274.364 3.309 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491691479 332288375 /nfs/dbraw/zinc/28/83/75/332288375.db2.gz GJJDYQZZFQTRPZ-JTQLQIEISA-N 1 2 276.286 3.073 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491691479 332288376 /nfs/dbraw/zinc/28/83/76/332288376.db2.gz GJJDYQZZFQTRPZ-JTQLQIEISA-N 1 2 276.286 3.073 20 30 CGEDLO C=CC(C)(C)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000575583917 335107327 /nfs/dbraw/zinc/10/73/27/335107327.db2.gz CTKNZNHTFPCLJV-UHFFFAOYSA-N 1 2 282.347 3.080 20 30 CGEDLO C=CCN(C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000492326908 332392718 /nfs/dbraw/zinc/39/27/18/332392718.db2.gz XZJNWTAVWPCHNI-BJMVGYQFSA-N 1 2 293.370 3.063 20 30 CGEDLO C#CC[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000192235347 333233391 /nfs/dbraw/zinc/23/33/91/333233391.db2.gz KQIIHPCSZROERK-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C#CC[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000192235347 333233392 /nfs/dbraw/zinc/23/33/92/333233392.db2.gz KQIIHPCSZROERK-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO CC[C@H](C)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000234014773 333357111 /nfs/dbraw/zinc/35/71/11/333357111.db2.gz ZAOWAAJZCJLGGC-HNNXBMFYSA-N 1 2 265.445 3.123 20 30 CGEDLO CCn1nc(C[N@H+](CCC#N)C(C)C)c2ccccc21 ZINC000089174627 334343042 /nfs/dbraw/zinc/34/30/42/334343042.db2.gz ZYSMTKHKVDYTGQ-UHFFFAOYSA-N 1 2 270.380 3.180 20 30 CGEDLO CCn1nc(C[N@@H+](CCC#N)C(C)C)c2ccccc21 ZINC000089174627 334343043 /nfs/dbraw/zinc/34/30/43/334343043.db2.gz ZYSMTKHKVDYTGQ-UHFFFAOYSA-N 1 2 270.380 3.180 20 30 CGEDLO CC1(C#N)C[NH+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000565160794 334541632 /nfs/dbraw/zinc/54/16/32/334541632.db2.gz DCILRPXLPVQJQV-UHFFFAOYSA-N 1 2 273.767 3.140 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000566628879 334658473 /nfs/dbraw/zinc/65/84/73/334658473.db2.gz UYATZVSYWYMBAM-IAGOWNOFSA-N 1 2 299.418 3.022 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000577007711 335278710 /nfs/dbraw/zinc/27/87/10/335278710.db2.gz FGRUGWRYFUEHAO-FQEVSTJZSA-N 1 2 291.394 3.420 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000577007711 335278711 /nfs/dbraw/zinc/27/87/11/335278711.db2.gz FGRUGWRYFUEHAO-FQEVSTJZSA-N 1 2 291.394 3.420 20 30 CGEDLO N#Cc1cccc(SCc2c[nH+]c3ccccn23)c1 ZINC000179905761 335530938 /nfs/dbraw/zinc/53/09/38/335530938.db2.gz MHOTTYHFVQEDSY-UHFFFAOYSA-N 1 2 265.341 3.498 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3ccc(C#N)cn3)CCCC2)n1 ZINC000581525167 336094947 /nfs/dbraw/zinc/09/49/47/336094947.db2.gz IJJBYLNYWQNDDQ-UHFFFAOYSA-N 1 2 298.415 3.277 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccon1 ZINC000439435270 533913305 /nfs/dbraw/zinc/91/33/05/533913305.db2.gz DZLAUHJBVAFRPL-VIFPVBQESA-N 1 2 261.712 3.050 20 30 CGEDLO Cc1cc(N2CC[C@H](c3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425225696 533910482 /nfs/dbraw/zinc/91/04/82/533910482.db2.gz MPHSAPGFZZNQNF-AWEZNQCLSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1cc(NCc2nc(C(C)(C)C)cs2)c(C#N)c[nH+]1 ZINC000425222494 534037087 /nfs/dbraw/zinc/03/70/87/534037087.db2.gz IQHHQUJQDVGFEL-UHFFFAOYSA-N 1 2 286.404 3.050 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CO[C@H](C)C1 ZINC000330066908 534219093 /nfs/dbraw/zinc/21/90/93/534219093.db2.gz TZZSEWYHTGJTJH-YPMHNXCESA-N 1 2 285.347 3.398 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000330067135 534219106 /nfs/dbraw/zinc/21/91/06/534219106.db2.gz UFKXEHZBZKSZAU-GUYCJALGSA-N 1 2 297.358 3.400 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000330129344 534387047 /nfs/dbraw/zinc/38/70/47/534387047.db2.gz JWYHZNMHJLLXKZ-ZWNOBZJWSA-N 1 2 260.337 3.292 20 30 CGEDLO N#CCn1c(/C=C\c2cccc3[nH+]ccn32)nc2ccccc21 ZINC000352026003 534735585 /nfs/dbraw/zinc/73/55/85/534735585.db2.gz IDYUNJPDFJOOME-HJWRWDBZSA-N 1 2 299.337 3.378 20 30 CGEDLO C=CCOCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000354758051 526722398 /nfs/dbraw/zinc/72/23/98/526722398.db2.gz CBPXNSUTSMGFLX-UHFFFAOYSA-N 1 2 284.315 3.015 20 30 CGEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000347155421 528661927 /nfs/dbraw/zinc/66/19/27/528661927.db2.gz NALDCCCKRWGQAW-AWEZNQCLSA-N 1 2 294.439 3.370 20 30 CGEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000347155421 528661933 /nfs/dbraw/zinc/66/19/33/528661933.db2.gz NALDCCCKRWGQAW-AWEZNQCLSA-N 1 2 294.439 3.370 20 30 CGEDLO CC(C)CO[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000749636531 573026342 /nfs/dbraw/zinc/02/63/42/573026342.db2.gz PAVFLEYWKWPQLS-UHFFFAOYSA-N 1 2 250.342 3.276 20 30 CGEDLO CC(=[NH+]Nc1cccc2cnccc21)c1csc(N)n1 ZINC000728432616 571806408 /nfs/dbraw/zinc/80/64/08/571806408.db2.gz ZFCYRNYNMXCRPO-UHFFFAOYSA-N 1 2 283.360 3.110 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccccc2N2CCCCC2)nn1 ZINC000729936297 571937963 /nfs/dbraw/zinc/93/79/63/571937963.db2.gz OKCUNCFQBNROFO-UHFFFAOYSA-N 1 2 295.390 3.221 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000730094815 571948475 /nfs/dbraw/zinc/94/84/75/571948475.db2.gz QQVCYZCPWBHJIL-ZDUSSCGKSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000730094815 571948481 /nfs/dbraw/zinc/94/84/81/571948481.db2.gz QQVCYZCPWBHJIL-ZDUSSCGKSA-N 1 2 297.185 3.030 20 30 CGEDLO O=C1c2c(Cl)ccc(Cl)c2OC/C1=C/c1[nH]cc[nH+]1 ZINC000731159405 572398997 /nfs/dbraw/zinc/39/89/97/572398997.db2.gz QGUPSMNHFKQHKG-ALCCZGGFSA-N 1 2 295.125 3.375 20 30 CGEDLO COc1cccc(N[NH+]=Cc2ccc(N(C)C)s2)c1 ZINC000725853515 572445923 /nfs/dbraw/zinc/44/59/23/572445923.db2.gz TTWPMPOEIBDYTA-UHFFFAOYSA-N 1 2 275.377 3.269 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2CCSCC2)c1 ZINC000733205287 572542746 /nfs/dbraw/zinc/54/27/46/572542746.db2.gz QDZODRWQXGLKSF-LFIBNONCSA-N 1 2 279.405 3.353 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1nc2ccccc2s1 ZINC000734160156 572636868 /nfs/dbraw/zinc/63/68/68/572636868.db2.gz ULTCUOQNFUJBTR-VXGBXAGGSA-N 1 2 284.388 3.390 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000744209108 572723487 /nfs/dbraw/zinc/72/34/87/572723487.db2.gz VUFKESVIKVUWNP-UHFFFAOYSA-N 1 2 296.320 3.472 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000744209108 572723490 /nfs/dbraw/zinc/72/34/90/572723490.db2.gz VUFKESVIKVUWNP-UHFFFAOYSA-N 1 2 296.320 3.472 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000746463176 572873162 /nfs/dbraw/zinc/87/31/62/572873162.db2.gz QEGKPYPHHGLQOH-UHFFFAOYSA-N 1 2 284.359 3.145 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000746463176 572873163 /nfs/dbraw/zinc/87/31/63/572873163.db2.gz QEGKPYPHHGLQOH-UHFFFAOYSA-N 1 2 284.359 3.145 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(C#N)cc3)n21 ZINC000748997849 572987969 /nfs/dbraw/zinc/98/79/69/572987969.db2.gz CTHGZJDOMAETAL-KTKRTIGZSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CCCCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750500557 573140901 /nfs/dbraw/zinc/14/09/01/573140901.db2.gz CZOQQCNJRMRECT-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=CCCCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750500557 573140910 /nfs/dbraw/zinc/14/09/10/573140910.db2.gz CZOQQCNJRMRECT-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000957778493 613320571 /nfs/dbraw/zinc/32/05/71/613320571.db2.gz YVLLNBWDBBGFAU-UHFFFAOYSA-N 1 2 298.386 3.075 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(C)oc1C)c1ccc(F)cc1 ZINC000812794137 617855942 /nfs/dbraw/zinc/85/59/42/617855942.db2.gz SGFBXEVPZRYNAJ-MRXNPFEDSA-N 1 2 257.308 3.500 20 30 CGEDLO C=C(C)CC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845864490 618055699 /nfs/dbraw/zinc/05/56/99/618055699.db2.gz JSELAKQWARGIPN-STQMWFEESA-N 1 2 250.342 3.122 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1csc(C#N)c1 ZINC000891469476 618228999 /nfs/dbraw/zinc/22/89/99/618228999.db2.gz HXEIUDPHRGKVSE-UHFFFAOYSA-N 1 2 272.373 3.260 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1csc(C#N)c1 ZINC000891469476 618229003 /nfs/dbraw/zinc/22/90/03/618229003.db2.gz HXEIUDPHRGKVSE-UHFFFAOYSA-N 1 2 272.373 3.260 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc2c(c1)CCO2 ZINC000255494280 618597363 /nfs/dbraw/zinc/59/73/63/618597363.db2.gz OHDCWOZCUZKKBP-WAYWQWQTSA-N 1 2 290.322 3.165 20 30 CGEDLO C[C@H](CC(C)(C)C#N)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000926424505 618659997 /nfs/dbraw/zinc/65/99/97/618659997.db2.gz NSWSNWPWYYMPPO-CJNGLKHVSA-N 1 2 291.414 3.346 20 30 CGEDLO C=C(Br)C[NH2+]Cc1ccc(Br)o1 ZINC000158685999 618733849 /nfs/dbraw/zinc/73/38/49/618733849.db2.gz CUUBVKWHPMZXMJ-UHFFFAOYSA-N 1 2 294.974 3.040 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc(C#N)c1O ZINC000926583308 618752937 /nfs/dbraw/zinc/75/29/37/618752937.db2.gz UZCHSFWUVJBOQK-QKCSRTOESA-N 1 2 276.405 3.199 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccoc1)c1cccc(C#N)c1O ZINC000926704544 618831465 /nfs/dbraw/zinc/83/14/65/618831465.db2.gz ZJKKROMTROUOCM-OAHLLOKOSA-N 1 2 270.332 3.140 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000893525317 619203901 /nfs/dbraw/zinc/20/39/01/619203901.db2.gz BTYMMZSBVXNYKT-MRXNPFEDSA-N 1 2 274.412 3.207 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000893525317 619203905 /nfs/dbraw/zinc/20/39/05/619203905.db2.gz BTYMMZSBVXNYKT-MRXNPFEDSA-N 1 2 274.412 3.207 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000932147448 619303747 /nfs/dbraw/zinc/30/37/47/619303747.db2.gz DNIAFKVMGJCLGX-SNPRPXQTSA-N 1 2 276.330 3.271 20 30 CGEDLO N#C[C@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000932147448 619303748 /nfs/dbraw/zinc/30/37/48/619303748.db2.gz DNIAFKVMGJCLGX-SNPRPXQTSA-N 1 2 276.330 3.271 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894007894 619347858 /nfs/dbraw/zinc/34/78/58/619347858.db2.gz IPJSOQNJJUXNCL-KGLIPLIRSA-N 1 2 282.391 3.021 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1cccc(C#N)c1O ZINC000924955603 619460160 /nfs/dbraw/zinc/46/01/60/619460160.db2.gz SVPCYBHDHYJDIG-CZUORRHYSA-N 1 2 289.423 3.035 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)=NOCCC(F)(F)F ZINC000792642944 619655922 /nfs/dbraw/zinc/65/59/22/619655922.db2.gz OIOURORZLOLNOA-UHFFFAOYSA-N 1 2 286.297 3.347 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895334545 619806565 /nfs/dbraw/zinc/80/65/65/619806565.db2.gz ITRDYUPTFHIBEC-OAHLLOKOSA-N 1 2 280.318 3.066 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895334545 619806568 /nfs/dbraw/zinc/80/65/68/619806568.db2.gz ITRDYUPTFHIBEC-OAHLLOKOSA-N 1 2 280.318 3.066 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1ccco1)C(=O)OCC ZINC000895597103 619858314 /nfs/dbraw/zinc/85/83/14/619858314.db2.gz FLEFGWZAAPHAEH-HIFRSBDPSA-N 1 2 279.380 3.088 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1csc(C#N)c1)C2 ZINC000895667371 619868400 /nfs/dbraw/zinc/86/84/00/619868400.db2.gz LHVRSPLLPIEFGP-UHFFFAOYSA-N 1 2 293.395 3.244 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1csc(C#N)c1)C2 ZINC000895667371 619868403 /nfs/dbraw/zinc/86/84/03/619868403.db2.gz LHVRSPLLPIEFGP-UHFFFAOYSA-N 1 2 293.395 3.244 20 30 CGEDLO COCC1(CC/[NH+]=C\c2cccc(OC)c2O)CCC1 ZINC000840705544 620075051 /nfs/dbraw/zinc/07/50/51/620075051.db2.gz GNIWIBFKOOVBKF-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO C=CC1(CC(=O)OCc2ccc[nH+]c2N)CCCCC1 ZINC000909550359 620088805 /nfs/dbraw/zinc/08/88/05/620088805.db2.gz NKWDAMAYMWWEPB-UHFFFAOYSA-N 1 2 274.364 3.234 20 30 CGEDLO C#Cc1cccc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000303175551 620188440 /nfs/dbraw/zinc/18/84/40/620188440.db2.gz JMIVOYCOGMOUIR-UHFFFAOYSA-N 1 2 287.366 3.490 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000898312356 620510867 /nfs/dbraw/zinc/51/08/67/620510867.db2.gz CXMQTCQQIGXFDF-UHFFFAOYSA-N 1 2 281.425 3.136 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cnn(C)c1 ZINC000927068160 620570118 /nfs/dbraw/zinc/57/01/18/620570118.db2.gz UBHWNFVKKMPOQI-MLGOLLRUSA-N 1 2 298.390 3.045 20 30 CGEDLO CC(C)(C/[NH+]=C/c1ccccc1O)C1CCOCC1 ZINC000899230769 620628113 /nfs/dbraw/zinc/62/81/13/620628113.db2.gz KLRSNHQGZOSIRR-GZTJUZNOSA-N 1 2 261.365 3.264 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/Cc2cc(C)ccc2C1=O ZINC000901464280 620895023 /nfs/dbraw/zinc/89/50/23/620895023.db2.gz HAMYYQXJPGNYNW-JYRVWZFOSA-N 1 2 252.317 3.034 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2c(OC)cccc2C1=O ZINC000901503199 620903572 /nfs/dbraw/zinc/90/35/72/620903572.db2.gz AXQHTHAMDUCPCO-FMIVXFBMSA-N 1 2 282.343 3.124 20 30 CGEDLO Cc1[nH]c(/C=C2\C(=O)c3ccccc3[C@@H]2C)[nH+]c1C ZINC000901505767 620904535 /nfs/dbraw/zinc/90/45/35/620904535.db2.gz GQPNVHYIGATKOB-JNNKLVPLSA-N 1 2 252.317 3.410 20 30 CGEDLO CCCCOc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901506796 620906001 /nfs/dbraw/zinc/90/60/01/620906001.db2.gz QETZECPLPCNGDJ-JXMROGBWSA-N 1 2 284.359 3.495 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCCc2cc(C#N)ccc2C1=O ZINC000901527923 620915027 /nfs/dbraw/zinc/91/50/27/620915027.db2.gz WHPVDUBYXNBHIE-OQLLNIDSSA-N 1 2 291.354 3.377 20 30 CGEDLO Cc1[nH]c(/C=C2\Cc3cc(C)cc(C)c3C2=O)[nH+]c1C ZINC000901532438 620916072 /nfs/dbraw/zinc/91/60/72/620916072.db2.gz SGPPIHJHOVTUIP-RIYZIHGNSA-N 1 2 266.344 3.466 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000903100724 621573827 /nfs/dbraw/zinc/57/38/27/621573827.db2.gz WCSSPVZUXPJKOM-MRXNPFEDSA-N 1 2 283.350 3.449 20 30 CGEDLO COc1cc(OC)c([C@@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903102069 621575315 /nfs/dbraw/zinc/57/53/15/621575315.db2.gz RFCBYKVWUCMIIR-SNVBAGLBSA-N 1 2 294.782 3.312 20 30 CGEDLO C=C1CCC(c2nc(-c3ccc(N)[nH+]c3C)no2)CC1 ZINC000904264970 621894752 /nfs/dbraw/zinc/89/47/52/621894752.db2.gz SUMGEVSAORXOAA-UHFFFAOYSA-N 1 2 270.336 3.236 20 30 CGEDLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1C1(C#N)CC1 ZINC000904848333 622006539 /nfs/dbraw/zinc/00/65/39/622006539.db2.gz BKLWXKYSJAQSRA-UHFFFAOYSA-N 1 2 293.370 3.378 20 30 CGEDLO COCc1cc[nH+]c(NCc2c(C)cc(C#N)cc2C)c1 ZINC000905414633 622070237 /nfs/dbraw/zinc/07/02/37/622070237.db2.gz JUUOKBZHYGGOKL-UHFFFAOYSA-N 1 2 281.359 3.329 20 30 CGEDLO C=CC[C@H]([NH2+]CC(CC)(CC)C(F)(F)F)C(=O)OC ZINC000905776550 622104199 /nfs/dbraw/zinc/10/41/99/622104199.db2.gz FUWSYSABHOFOCJ-JTQLQIEISA-N 1 2 281.318 3.062 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174963895 622490029 /nfs/dbraw/zinc/49/00/29/622490029.db2.gz RJPUZXJCROWAKC-NWDGAFQWSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174963895 622490032 /nfs/dbraw/zinc/49/00/32/622490032.db2.gz RJPUZXJCROWAKC-NWDGAFQWSA-N 1 2 292.452 3.165 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1 ZINC000150908170 622694160 /nfs/dbraw/zinc/69/41/60/622694160.db2.gz OVLIUEXBPGBAOS-ZDUSSCGKSA-N 1 2 296.374 3.051 20 30 CGEDLO NC(=[NH+]OCc1ccc(Cl)nc1)c1ccc(Cl)cc1 ZINC000760433430 623629510 /nfs/dbraw/zinc/62/95/10/623629510.db2.gz QLOWSXDXNQKVEY-UHFFFAOYSA-N 1 2 296.157 3.226 20 30 CGEDLO CCCCCCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000754685527 623925866 /nfs/dbraw/zinc/92/58/66/623925866.db2.gz FWMUIIDWCUILHR-GZTJUZNOSA-N 1 2 278.396 3.367 20 30 CGEDLO CC#CCCCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835310736 634444637 /nfs/dbraw/zinc/44/46/37/634444637.db2.gz LUHXQJGKYWPFHF-UHFFFAOYSA-N 1 2 296.370 3.282 20 30 CGEDLO Cc1cc(C#N)cc(C)c1COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000922842362 626056194 /nfs/dbraw/zinc/05/61/94/626056194.db2.gz IFBYXCBPRSCHEQ-CQSZACIVSA-N 1 2 297.358 3.066 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C/c2c[nH+]c3ccccn23)co1 ZINC000752887217 626441525 /nfs/dbraw/zinc/44/15/25/626441525.db2.gz KBCLCCOOCKZNIW-VOTSOKGWSA-N 1 2 281.315 3.342 20 30 CGEDLO CC(C)c1cccc2c1OC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000753900331 626468275 /nfs/dbraw/zinc/46/82/75/626468275.db2.gz NUCFWTZPXQTWMK-DHZHZOJOSA-N 1 2 268.316 3.192 20 30 CGEDLO C=C(Cl)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000759343019 626889829 /nfs/dbraw/zinc/88/98/29/626889829.db2.gz JRGLSSXRKYWSGD-UHFFFAOYSA-N 1 2 264.800 3.178 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851945 626926608 /nfs/dbraw/zinc/92/66/08/626926608.db2.gz WZBKCDCPKLJGCV-BONVTDFDSA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851945 626926613 /nfs/dbraw/zinc/92/66/13/626926613.db2.gz WZBKCDCPKLJGCV-BONVTDFDSA-N 1 2 296.773 3.137 20 30 CGEDLO O=C1c2cc(F)ccc2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000769610929 627569287 /nfs/dbraw/zinc/56/92/87/627569287.db2.gz TXSLXALIUQJZOY-FLIBITNWSA-N 1 2 294.285 3.132 20 30 CGEDLO Brc1cnn([NH+]=C2CC[C@H]2c2ccccc2)c1 ZINC000769800526 627579368 /nfs/dbraw/zinc/57/93/68/627579368.db2.gz VSDLUWCTAKWNBY-LBPRGKRZSA-N 1 2 290.164 3.427 20 30 CGEDLO Clc1ccccc1NN=Cc1cccc2[nH+]ccn21 ZINC000771097417 627682599 /nfs/dbraw/zinc/68/25/99/627682599.db2.gz IDKVAPMEUVGGBZ-UHFFFAOYSA-N 1 2 270.723 3.434 20 30 CGEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000775342670 628084680 /nfs/dbraw/zinc/08/46/80/628084680.db2.gz SGBVIBJSSVVFBX-HOCLYGCPSA-N 1 2 298.411 3.081 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccccc1 ZINC000775397989 628090587 /nfs/dbraw/zinc/09/05/87/628090587.db2.gz CXYVUKVILCQFEQ-MRXNPFEDSA-N 1 2 280.371 3.408 20 30 CGEDLO CCc1cc(C#N)c(NC(=O)c2cccc3[nH+]ccn32)s1 ZINC000776843407 628235920 /nfs/dbraw/zinc/23/59/20/628235920.db2.gz ZHOCGSMTNXMIAB-UHFFFAOYSA-N 1 2 296.355 3.082 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1coc(C2CC2)n1 ZINC000779169669 628392266 /nfs/dbraw/zinc/39/22/66/628392266.db2.gz QDRLRFMVWZPYCU-UHFFFAOYSA-N 1 2 272.348 3.376 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1coc(C2CC2)n1 ZINC000779169669 628392267 /nfs/dbraw/zinc/39/22/67/628392267.db2.gz QDRLRFMVWZPYCU-UHFFFAOYSA-N 1 2 272.348 3.376 20 30 CGEDLO C=C[C@H](CC(=O)OCCCn1cc[nH+]c1)c1ccccc1 ZINC000784402966 628812889 /nfs/dbraw/zinc/81/28/89/628812889.db2.gz PLTKNQHTVOOCHC-OAHLLOKOSA-N 1 2 284.359 3.176 20 30 CGEDLO CC(C)(C#N)CCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787693138 629022694 /nfs/dbraw/zinc/02/26/94/629022694.db2.gz IIMCPXSYKYEVJY-UHFFFAOYSA-N 1 2 292.810 3.173 20 30 CGEDLO Cc1cc(C=NNc2[nH+]ccn2C)c(OC(F)F)cc1C ZINC000790302375 629201793 /nfs/dbraw/zinc/20/17/93/629201793.db2.gz RHBWBOKGYZMTAY-UHFFFAOYSA-N 1 2 294.305 3.084 20 30 CGEDLO C#CC[N@H+](Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000862366563 629354339 /nfs/dbraw/zinc/35/43/39/629354339.db2.gz SUCPANXKLZWVHE-UHFFFAOYSA-N 1 2 266.344 3.187 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccccc1 ZINC000862366563 629354347 /nfs/dbraw/zinc/35/43/47/629354347.db2.gz SUCPANXKLZWVHE-UHFFFAOYSA-N 1 2 266.344 3.187 20 30 CGEDLO CC[C@H](C)CON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000793164014 629420359 /nfs/dbraw/zinc/42/03/59/629420359.db2.gz PSMOPDAVVLMPTP-ZDUSSCGKSA-N 1 2 257.337 3.269 20 30 CGEDLO CO[C@H]1C[C@@H](c2ccccc2)CCC1=[NH+]n1cccn1 ZINC000863163888 629486757 /nfs/dbraw/zinc/48/67/57/629486757.db2.gz SETQNRWXCRZGPM-HOCLYGCPSA-N 1 2 269.348 3.070 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)oc1C ZINC000794715972 629570914 /nfs/dbraw/zinc/57/09/14/629570914.db2.gz ZWXFRNMZQNAYQZ-WAYWQWQTSA-N 1 2 290.388 3.311 20 30 CGEDLO O=C1c2ccc(F)cc2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000794728845 629572894 /nfs/dbraw/zinc/57/28/94/629572894.db2.gz WAQDKECMZKEMNA-FLIBITNWSA-N 1 2 294.285 3.132 20 30 CGEDLO CC1=C(Br)C[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000797526725 629956809 /nfs/dbraw/zinc/95/68/09/629956809.db2.gz BHIYXLVOQFKXBD-UHFFFAOYSA-N 1 2 291.192 3.433 20 30 CGEDLO CC1=C(Br)C[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000797526725 629956810 /nfs/dbraw/zinc/95/68/10/629956810.db2.gz BHIYXLVOQFKXBD-UHFFFAOYSA-N 1 2 291.192 3.433 20 30 CGEDLO C=CC[C@@H](CC)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000799324824 630167142 /nfs/dbraw/zinc/16/71/42/630167142.db2.gz YJTZXLWLAGVSPE-LLVKDONJSA-N 1 2 273.384 3.348 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCCSCC)c(O)c1 ZINC000800722188 630296111 /nfs/dbraw/zinc/29/61/11/630296111.db2.gz YUBXGGYGQGUOTR-RVDMUPIBSA-N 1 2 267.394 3.353 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000808432223 630644731 /nfs/dbraw/zinc/64/47/31/630644731.db2.gz YBONDYNISHLJLY-FZMZJTMJSA-N 1 2 280.318 3.255 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809635063 630769116 /nfs/dbraw/zinc/76/91/16/630769116.db2.gz SADJVXMEKSTQFL-UHFFFAOYSA-N 1 2 290.798 3.237 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809635063 630769119 /nfs/dbraw/zinc/76/91/19/630769119.db2.gz SADJVXMEKSTQFL-UHFFFAOYSA-N 1 2 290.798 3.237 20 30 CGEDLO Cc1ccc2c(N[NH2+]C[C@H]3CCSC3)csc2c1 ZINC000811661515 631103913 /nfs/dbraw/zinc/10/39/13/631103913.db2.gz MIBFMOVJMXALKF-LLVKDONJSA-N 1 2 278.446 3.148 20 30 CGEDLO CC(=[NH+]OC/C=C\Cl)c1ccc(F)cc1N(C)C ZINC000811668676 631107031 /nfs/dbraw/zinc/10/70/31/631107031.db2.gz RLCMGNYLNIXTKL-PLBVDPBDSA-N 1 2 270.735 3.385 20 30 CGEDLO N#Cc1cc2ccccc2nc1NCc1ccn2cc[nH+]c2c1 ZINC000811817013 631123163 /nfs/dbraw/zinc/12/31/63/631123163.db2.gz LQYGTSTVPIIJGN-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO CC(C)c1[nH+]c(C=NOC2CCC2)c2ccccn21 ZINC000812235844 631227083 /nfs/dbraw/zinc/22/70/83/631227083.db2.gz RBXDLEIPSZKDLC-UHFFFAOYSA-N 1 2 257.337 3.361 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1cccnc1Br ZINC000876528117 634852350 /nfs/dbraw/zinc/85/23/50/634852350.db2.gz LNFJRIQYYICJCH-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1cccnc1Br ZINC000876528117 634852353 /nfs/dbraw/zinc/85/23/53/634852353.db2.gz LNFJRIQYYICJCH-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO CCOc1ccc(N[NH+]=Cc2cnc(N(C)C)s2)cc1 ZINC000814983345 631701027 /nfs/dbraw/zinc/70/10/27/631701027.db2.gz JYZQDRBYYBBJBN-UHFFFAOYSA-N 1 2 290.392 3.054 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000815076496 631711026 /nfs/dbraw/zinc/71/10/26/631711026.db2.gz SCYDELPZQWYLKC-IUODEOHRSA-N 1 2 284.359 3.090 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000815076496 631711032 /nfs/dbraw/zinc/71/10/32/631711032.db2.gz SCYDELPZQWYLKC-IUODEOHRSA-N 1 2 284.359 3.090 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1conc1Cc1ccccc1 ZINC000815125398 631722779 /nfs/dbraw/zinc/72/27/79/631722779.db2.gz FDTUHOZKZYWUPM-UHFFFAOYSA-N 1 2 262.740 3.108 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000815279465 631753787 /nfs/dbraw/zinc/75/37/87/631753787.db2.gz JDAZGAQDBJSFAZ-CQSZACIVSA-N 1 2 280.371 3.122 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000815279465 631753789 /nfs/dbraw/zinc/75/37/89/631753789.db2.gz JDAZGAQDBJSFAZ-CQSZACIVSA-N 1 2 280.371 3.122 20 30 CGEDLO Cc1c(N[NH2+]C=CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000817326233 632121178 /nfs/dbraw/zinc/12/11/78/632121178.db2.gz MNLHXDWWPLCBII-UHFFFAOYSA-N 1 2 261.203 3.253 20 30 CGEDLO C[C@H]([NH2+]CCc1ccsc1)c1cccc(C#N)c1O ZINC000866222677 633033811 /nfs/dbraw/zinc/03/38/11/633033811.db2.gz PPAUOBJAZWWDTG-NSHDSACASA-N 1 2 272.373 3.219 20 30 CGEDLO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(C#N)c1O ZINC000866283724 633064969 /nfs/dbraw/zinc/06/49/69/633064969.db2.gz ACDZGYMSQZTLFT-NHYWBVRUSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C#N)c1O ZINC000866308661 633076134 /nfs/dbraw/zinc/07/61/34/633076134.db2.gz ZMAGYSOZUFVFLV-LBPRGKRZSA-N 1 2 294.354 3.145 20 30 CGEDLO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc(C#N)c1O ZINC000866311247 633076597 /nfs/dbraw/zinc/07/65/97/633076597.db2.gz YOSUTQKNZJRWMV-NSHDSACASA-N 1 2 256.349 3.105 20 30 CGEDLO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866363460 633102696 /nfs/dbraw/zinc/10/26/96/633102696.db2.gz IXSYAJKGBFXAGV-ZIAGYGMSSA-N 1 2 289.423 3.035 20 30 CGEDLO CCC(C)(C)OCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866369636 633106952 /nfs/dbraw/zinc/10/69/52/633106952.db2.gz LVJPGLGNCGSDOG-GFCCVEGCSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(C#N)c1O ZINC000866375710 633110217 /nfs/dbraw/zinc/11/02/17/633110217.db2.gz YMVWRHVERCZPCK-CYBMUJFWSA-N 1 2 295.386 3.287 20 30 CGEDLO N#CCc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866381282 633113138 /nfs/dbraw/zinc/11/31/38/633113138.db2.gz PLKKQQRHZDLOSX-FUHWJXTLSA-N 1 2 296.345 3.314 20 30 CGEDLO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000866402898 633124613 /nfs/dbraw/zinc/12/46/13/633124613.db2.gz MVGDZVMBQATCRJ-NWDGAFQWSA-N 1 2 276.405 3.058 20 30 CGEDLO C[C@H]([NH2+]CC[C@H]1CCCS1)c1cccc(C#N)c1O ZINC000866482254 633154851 /nfs/dbraw/zinc/15/48/51/633154851.db2.gz ZINGAAZONOOSGU-WCQYABFASA-N 1 2 276.405 3.200 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000828216565 633585174 /nfs/dbraw/zinc/58/51/74/633585174.db2.gz RJGUQEALYKQVPE-OAHLLOKOSA-N 1 2 297.402 3.269 20 30 CGEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000876838350 634913292 /nfs/dbraw/zinc/91/32/92/634913292.db2.gz PJFHUVXIFRCRQH-AWEZNQCLSA-N 1 2 287.407 3.263 20 30 CGEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc([NH+](C)C)cc1 ZINC000876838350 634913295 /nfs/dbraw/zinc/91/32/95/634913295.db2.gz PJFHUVXIFRCRQH-AWEZNQCLSA-N 1 2 287.407 3.263 20 30 CGEDLO CCCCCCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000876988507 634944671 /nfs/dbraw/zinc/94/46/71/634944671.db2.gz DZWHIOOAFWJHAY-AWEZNQCLSA-N 1 2 284.350 3.051 20 30 CGEDLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877536557 635077337 /nfs/dbraw/zinc/07/73/37/635077337.db2.gz URNFTVQLTQMLQF-ZUZCIYMTSA-N 1 2 299.761 3.218 20 30 CGEDLO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@H](C)C#N ZINC000840909863 635079952 /nfs/dbraw/zinc/07/99/52/635079952.db2.gz AJHDGHHEFJUGDU-LLVKDONJSA-N 1 2 266.772 3.336 20 30 CGEDLO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@H](C)C#N ZINC000840909863 635079954 /nfs/dbraw/zinc/07/99/54/635079954.db2.gz AJHDGHHEFJUGDU-LLVKDONJSA-N 1 2 266.772 3.336 20 30 CGEDLO CCC1(CC)C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877580802 635101527 /nfs/dbraw/zinc/10/15/27/635101527.db2.gz YWSKALJYDABSOS-UHFFFAOYSA-N 1 2 263.772 3.229 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(=O)OCC ZINC000877672075 635141254 /nfs/dbraw/zinc/14/12/54/635141254.db2.gz VTSJSXPKGHUSMR-MWLCHTKSSA-N 1 2 295.757 3.084 20 30 CGEDLO CC([NH2+]Nc1oc(CC(C)C)nc1C#N)=C1CC1(F)F ZINC000841622281 635199574 /nfs/dbraw/zinc/19/95/74/635199574.db2.gz WBYHLPRBSKIVMU-SECBINFHSA-N 1 2 282.294 3.188 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1[N+](=O)[O-] ZINC000879310975 635752329 /nfs/dbraw/zinc/75/23/29/635752329.db2.gz ZZJADKKHZCNNBH-UONOGXRCSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1[N+](=O)[O-] ZINC000879310975 635752331 /nfs/dbraw/zinc/75/23/31/635752331.db2.gz ZZJADKKHZCNNBH-UONOGXRCSA-N 1 2 273.336 3.027 20 30 CGEDLO c1cn(CCCNN=C2CCC3(CCCC3)CC2)c[nH+]1 ZINC000848416920 636571700 /nfs/dbraw/zinc/57/17/00/636571700.db2.gz DAOOJKKREWJHTJ-UHFFFAOYSA-N 1 2 274.412 3.353 20 30 CGEDLO CC(CCc1ccc(F)cc1)=NNCCCn1cc[nH+]c1 ZINC000848417584 636572467 /nfs/dbraw/zinc/57/24/67/636572467.db2.gz BUPZFYAXORQVSM-UHFFFAOYSA-N 1 2 288.370 3.011 20 30 CGEDLO CCCC[C@@H]1CCCC1N=NCCCn1cc[nH+]c1 ZINC000848419135 636572478 /nfs/dbraw/zinc/57/24/78/636572478.db2.gz ZMSGAOYUDDJZQE-CQSZACIVSA-N 1 2 262.401 3.209 20 30 CGEDLO c1cn(CCCNN=C2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000848418503 636572928 /nfs/dbraw/zinc/57/29/28/636572928.db2.gz ONQMLXLHEGCAML-MRXNPFEDSA-N 1 2 282.391 3.187 20 30 CGEDLO COC[C@@H](CC/[NH+]=C/c1c(O)ccc2ccccc21)OC ZINC000849170327 636761710 /nfs/dbraw/zinc/76/17/10/636761710.db2.gz OCBWAYCSBSLUGH-XWAFYUISSA-N 1 2 287.359 3.016 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000853536959 637863921 /nfs/dbraw/zinc/86/39/21/637863921.db2.gz LBJLCUUGTDITFA-LLVKDONJSA-N 1 2 273.302 3.148 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000853536959 637863923 /nfs/dbraw/zinc/86/39/23/637863923.db2.gz LBJLCUUGTDITFA-LLVKDONJSA-N 1 2 273.302 3.148 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cn2c(n1)CCCC2 ZINC000925472697 638507656 /nfs/dbraw/zinc/50/76/56/638507656.db2.gz GAALWHCBAFHVCK-LBPRGKRZSA-N 1 2 298.365 3.081 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000925932853 638658631 /nfs/dbraw/zinc/65/86/31/638658631.db2.gz QAYCWGGALJZEAS-ZDUSSCGKSA-N 1 2 272.396 3.422 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)Nc1cc(CSCCO)cc[nH+]1 ZINC000925960386 638665659 /nfs/dbraw/zinc/66/56/59/638665659.db2.gz QEVGWEAQSTWJOB-LBPRGKRZSA-N 1 2 293.436 3.047 20 30 CGEDLO C#CCCCCNc1nc2ccccc2n2c[nH+]cc12 ZINC000858444308 638720914 /nfs/dbraw/zinc/72/09/14/638720914.db2.gz UVJGMODNBXDATR-UHFFFAOYSA-N 1 2 264.332 3.098 20 30 CGEDLO Cc1cc(C)[nH+]c(CN(CCC#N)Cc2ccccn2)c1 ZINC000929800826 638952834 /nfs/dbraw/zinc/95/28/34/638952834.db2.gz YJJSUHJBJFRSJO-UHFFFAOYSA-N 1 2 280.375 3.009 20 30 CGEDLO C#CC[C@@H](COC)Nc1c(C)c[nH+]c2c(OC)cccc12 ZINC000858860028 639031670 /nfs/dbraw/zinc/03/16/70/639031670.db2.gz DUOVFYJDLWMNRZ-ZDUSSCGKSA-N 1 2 284.359 3.002 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930967760 639092402 /nfs/dbraw/zinc/09/24/02/639092402.db2.gz NRXUDTXEVOSQKZ-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930967760 639092404 /nfs/dbraw/zinc/09/24/04/639092404.db2.gz NRXUDTXEVOSQKZ-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000932150371 639277130 /nfs/dbraw/zinc/27/71/30/639277130.db2.gz GYKJEBZGUVNGEO-LRDDRELGSA-N 1 2 258.340 3.439 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000932150371 639277137 /nfs/dbraw/zinc/27/71/37/639277137.db2.gz GYKJEBZGUVNGEO-LRDDRELGSA-N 1 2 258.340 3.439 20 30 CGEDLO C=CCCC[N@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC000932256908 639301860 /nfs/dbraw/zinc/30/18/60/639301860.db2.gz LLTPBGGQSJICAH-GFCCVEGCSA-N 1 2 296.212 3.342 20 30 CGEDLO C=CCCC[N@@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC000932256908 639301863 /nfs/dbraw/zinc/30/18/63/639301863.db2.gz LLTPBGGQSJICAH-GFCCVEGCSA-N 1 2 296.212 3.342 20 30 CGEDLO CCC(C#N)(CC)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000860193686 639305892 /nfs/dbraw/zinc/30/58/92/639305892.db2.gz CLKPOSBNWXGSED-UHFFFAOYSA-N 1 2 297.358 3.245 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000932352832 639318798 /nfs/dbraw/zinc/31/87/98/639318798.db2.gz UGRKOKQAASQSJD-OAHLLOKOSA-N 1 2 298.777 3.243 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932378139 639322087 /nfs/dbraw/zinc/32/20/87/639322087.db2.gz KJKWGSVZEJUASR-KRWDZBQOSA-N 1 2 281.334 3.333 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1cnc(Br)c(C)c1 ZINC000934461387 639611962 /nfs/dbraw/zinc/61/19/62/639611962.db2.gz MVWSVIDTRCLIEE-GFCCVEGCSA-N 1 2 281.197 3.303 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cnc(Br)c(C)c1 ZINC000934461387 639611965 /nfs/dbraw/zinc/61/19/65/639611965.db2.gz MVWSVIDTRCLIEE-GFCCVEGCSA-N 1 2 281.197 3.303 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000191491515 640315865 /nfs/dbraw/zinc/31/58/65/640315865.db2.gz VGVRWAYBVZNKJT-CQSZACIVSA-N 1 2 298.224 3.085 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000191491515 640315872 /nfs/dbraw/zinc/31/58/72/640315872.db2.gz VGVRWAYBVZNKJT-CQSZACIVSA-N 1 2 298.224 3.085 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976773 640561217 /nfs/dbraw/zinc/56/12/17/640561217.db2.gz ZOBFAMBDGOUZIL-JTQLQIEISA-N 1 2 252.155 3.075 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000194976773 640561220 /nfs/dbraw/zinc/56/12/20/640561220.db2.gz ZOBFAMBDGOUZIL-JTQLQIEISA-N 1 2 252.155 3.075 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009151600 640955843 /nfs/dbraw/zinc/95/58/43/640955843.db2.gz HBZCBBFDOIBMIA-DZGCQCFKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009151600 640955848 /nfs/dbraw/zinc/95/58/48/640955848.db2.gz HBZCBBFDOIBMIA-DZGCQCFKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009566549 640960186 /nfs/dbraw/zinc/96/01/86/640960186.db2.gz URJJUXZZEXTPSY-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009566549 640960190 /nfs/dbraw/zinc/96/01/90/640960190.db2.gz URJJUXZZEXTPSY-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014920460 640976416 /nfs/dbraw/zinc/97/64/16/640976416.db2.gz RCULRDZKJSXFST-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014920460 640976420 /nfs/dbraw/zinc/97/64/20/640976420.db2.gz RCULRDZKJSXFST-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO CC(=O)C=C(C)Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155890698 805621663 /nfs/dbraw/zinc/62/16/63/805621663.db2.gz YJUMLNDBGGNXNK-LUAWRHEFSA-N 1 2 293.798 3.236 20 30 CGEDLO Cc1cc(NCc2ccccc2C#N)nc(C2CC2)[nH+]1 ZINC001156791505 805737571 /nfs/dbraw/zinc/73/75/71/805737571.db2.gz URPMFJIBIGRYHL-UHFFFAOYSA-N 1 2 264.332 3.146 20 30 CGEDLO C=C(C)C(=O)NCCCNc1[nH+]c2ccccc2cc1C ZINC001156821196 805738803 /nfs/dbraw/zinc/73/88/03/805738803.db2.gz PYMSIQJGAMSYQF-UHFFFAOYSA-N 1 2 283.375 3.038 20 30 CGEDLO CCCCCCCC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001252122314 806009851 /nfs/dbraw/zinc/00/98/51/806009851.db2.gz RKLDJSKCLWNNBO-CQSZACIVSA-N 1 2 265.401 3.308 20 30 CGEDLO CCCCCCCC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001252122313 806010099 /nfs/dbraw/zinc/01/00/99/806010099.db2.gz RKLDJSKCLWNNBO-AWEZNQCLSA-N 1 2 265.401 3.308 20 30 CGEDLO C=C[C@@](C)(O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001252542917 806059799 /nfs/dbraw/zinc/05/97/99/806059799.db2.gz KDTIHOUIXJTODK-MRXNPFEDSA-N 1 2 272.323 3.237 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3cccc4ccnn43)c2c1 ZINC001159613682 806132627 /nfs/dbraw/zinc/13/26/27/806132627.db2.gz WLMDVZBMXJSGFB-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001253233620 806187146 /nfs/dbraw/zinc/18/71/46/806187146.db2.gz JJBUOGMPKQNESL-SOUVJXGZSA-N 1 2 275.383 3.256 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001253233620 806187150 /nfs/dbraw/zinc/18/71/50/806187150.db2.gz JJBUOGMPKQNESL-SOUVJXGZSA-N 1 2 275.383 3.256 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001253249248 806195497 /nfs/dbraw/zinc/19/54/97/806195497.db2.gz HVQADRLWGFTPTQ-CVEARBPZSA-N 1 2 299.455 3.051 20 30 CGEDLO COc1cc(C)c[nH+]c1N[C@@H]1CCc2c1cccc2C#N ZINC001159916138 806197730 /nfs/dbraw/zinc/19/77/30/806197730.db2.gz KODKXUHSGXATMJ-OAHLLOKOSA-N 1 2 279.343 3.370 20 30 CGEDLO C[C@@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ncc(F)cn1 ZINC001159960052 806205940 /nfs/dbraw/zinc/20/59/40/806205940.db2.gz CFXXJAFJLMZMLL-SNVBAGLBSA-N 1 2 293.305 3.209 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C(C)(C)C)cs1)CC1CC1 ZINC001253563465 806259202 /nfs/dbraw/zinc/25/92/02/806259202.db2.gz OPBMGKSVUYOICX-UHFFFAOYSA-N 1 2 262.422 3.286 20 30 CGEDLO C#CC[N@H+](Cc1nc(C(C)(C)C)cs1)CC1CC1 ZINC001253563465 806259207 /nfs/dbraw/zinc/25/92/07/806259207.db2.gz OPBMGKSVUYOICX-UHFFFAOYSA-N 1 2 262.422 3.286 20 30 CGEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254292830 806380248 /nfs/dbraw/zinc/38/02/48/806380248.db2.gz JMRXLWRWEVKDDI-XJKSGUPXSA-N 1 2 295.427 3.058 20 30 CGEDLO COc1cc[nH+]c(C(C)(C)CNc2ccc(C)c(C#N)n2)c1 ZINC001162130171 806509599 /nfs/dbraw/zinc/50/95/99/806509599.db2.gz ZLFGPEHEBQFYNH-UHFFFAOYSA-N 1 2 296.374 3.055 20 30 CGEDLO N#CCc1ccc[nH+]c1NCc1cnccc1C(F)(F)F ZINC001162287553 806549385 /nfs/dbraw/zinc/54/93/85/806549385.db2.gz YXHFLRVCCYFHOG-UHFFFAOYSA-N 1 2 292.264 3.174 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001255162122 806560166 /nfs/dbraw/zinc/56/01/66/806560166.db2.gz IAAPMFZTRLFIQR-DGCLKSJQSA-N 1 2 263.772 3.468 20 30 CGEDLO C#CC1(Nc2cc(C)[nH+]c(C3CC3)n2)CCCCC1 ZINC001162479951 806596597 /nfs/dbraw/zinc/59/65/97/806596597.db2.gz QYYYGILGFBXUAR-UHFFFAOYSA-N 1 2 255.365 3.410 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCCC ZINC001255314129 806606006 /nfs/dbraw/zinc/60/60/06/806606006.db2.gz WRVKETXSFVICQW-WBVHZDCISA-N 1 2 289.419 3.495 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3cccc(C#N)c3[N+](=O)[O-])ccc21 ZINC001162638474 806634978 /nfs/dbraw/zinc/63/49/78/806634978.db2.gz QSAPROFJSARAEU-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccncc2)c1 ZINC000157797060 799069996 /nfs/dbraw/zinc/06/99/96/799069996.db2.gz FBQRPGZYZKDDEY-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccncc2)c1 ZINC000157797060 799070001 /nfs/dbraw/zinc/07/00/01/799070001.db2.gz FBQRPGZYZKDDEY-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO NC(=[NH+]OCc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000176452853 799097500 /nfs/dbraw/zinc/09/75/00/799097500.db2.gz QJWHOLJVJMBXJN-UHFFFAOYSA-N 1 2 299.355 3.240 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccccc3C#N)n2c1 ZINC000588618300 799721046 /nfs/dbraw/zinc/72/10/46/799721046.db2.gz LMWYARHEFUNCGF-FPLPWBNLSA-N 1 2 287.322 3.411 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039332102 801159211 /nfs/dbraw/zinc/15/92/11/801159211.db2.gz GBYKYPJCIXYMGW-CABCVRRESA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039332102 801159213 /nfs/dbraw/zinc/15/92/13/801159213.db2.gz GBYKYPJCIXYMGW-CABCVRRESA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071752629 801550457 /nfs/dbraw/zinc/55/04/57/801550457.db2.gz KJANHQBNLMRYFH-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071752629 801550465 /nfs/dbraw/zinc/55/04/65/801550465.db2.gz KJANHQBNLMRYFH-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840444 801812072 /nfs/dbraw/zinc/81/20/72/801812072.db2.gz JMDLCFSDOHPIIA-MCIONIFRSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840444 801812077 /nfs/dbraw/zinc/81/20/77/801812077.db2.gz JMDLCFSDOHPIIA-MCIONIFRSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(CC)CC)C2 ZINC001110121062 802131954 /nfs/dbraw/zinc/13/19/54/802131954.db2.gz JNHZYJCPBRZJEK-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(CC)CC)C2 ZINC001110121062 802131958 /nfs/dbraw/zinc/13/19/58/802131958.db2.gz JNHZYJCPBRZJEK-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001110887392 802148072 /nfs/dbraw/zinc/14/80/72/802148072.db2.gz JMQOXWIGZUXLRN-MCIONIFRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001110887392 802148077 /nfs/dbraw/zinc/14/80/77/802148077.db2.gz JMQOXWIGZUXLRN-MCIONIFRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001111072647 802154947 /nfs/dbraw/zinc/15/49/47/802154947.db2.gz QJSBTOTXMKVVQX-MCIONIFRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001111072647 802154949 /nfs/dbraw/zinc/15/49/49/802154949.db2.gz QJSBTOTXMKVVQX-MCIONIFRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(CC)CC)C2 ZINC001111426104 802161118 /nfs/dbraw/zinc/16/11/18/802161118.db2.gz JNHZYJCPBRZJEK-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(CC)CC)C2 ZINC001111426104 802161124 /nfs/dbraw/zinc/16/11/24/802161124.db2.gz JNHZYJCPBRZJEK-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001113536506 802228019 /nfs/dbraw/zinc/22/80/19/802228019.db2.gz SVUHFSUPBLRTRL-HNNXBMFYSA-N 1 2 284.419 3.015 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCc2ccc(N(C)C)cc2)c1 ZINC001115939042 802288221 /nfs/dbraw/zinc/28/82/21/802288221.db2.gz HNEQSWZSYOATKU-CPNJWEJPSA-N 1 2 298.386 3.128 20 30 CGEDLO C#CC[N@H+](CC1CC1)Cn1c2ccccc2n(C)c1=S ZINC001116372016 802339168 /nfs/dbraw/zinc/33/91/68/802339168.db2.gz HUUULGYOCFLZQB-UHFFFAOYSA-N 1 2 285.416 3.012 20 30 CGEDLO C#CC[N@@H+](CC1CC1)Cn1c2ccccc2n(C)c1=S ZINC001116372016 802339175 /nfs/dbraw/zinc/33/91/75/802339175.db2.gz HUUULGYOCFLZQB-UHFFFAOYSA-N 1 2 285.416 3.012 20 30 CGEDLO C=CC[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(=O)OCC ZINC001116789805 802411494 /nfs/dbraw/zinc/41/14/94/802411494.db2.gz KPSZDEQIYCGANU-BCLQGDPASA-N 1 2 291.366 3.169 20 30 CGEDLO FC(F)(F)C=C[NH2+]Nc1cncc(Br)c1 ZINC001117989046 802515596 /nfs/dbraw/zinc/51/55/96/802515596.db2.gz DWOKWCIJXOPFQQ-UHFFFAOYSA-N 1 2 282.063 3.194 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCCC(CC)(CC)C2)c1=S ZINC001118592663 802587571 /nfs/dbraw/zinc/58/75/71/802587571.db2.gz MWMALUPQQKUXRT-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCCC(CC)(CC)C2)c1=S ZINC001118592663 802587575 /nfs/dbraw/zinc/58/75/75/802587575.db2.gz MWMALUPQQKUXRT-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO C#C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001130119538 803268857 /nfs/dbraw/zinc/26/88/57/803268857.db2.gz VCAXTIXKNVUIFX-MRXNPFEDSA-N 1 2 278.355 3.111 20 30 CGEDLO C=C/C(=[NH+]\COC)c1ccc(N2CCCCC2)cc1F ZINC001244263425 803269100 /nfs/dbraw/zinc/26/91/00/803269100.db2.gz MKUWOOHWGNVODE-FBMGVBCBSA-N 1 2 276.355 3.395 20 30 CGEDLO COc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001244709253 803508441 /nfs/dbraw/zinc/50/84/41/803508441.db2.gz PTRCDJSKDNEEQJ-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)nc1F ZINC001137478449 803737028 /nfs/dbraw/zinc/73/70/28/803737028.db2.gz LMFPPNUVMWPSCM-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)nc1F ZINC001137478449 803737033 /nfs/dbraw/zinc/73/70/33/803737033.db2.gz LMFPPNUVMWPSCM-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO SC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC001137609768 803745327 /nfs/dbraw/zinc/74/53/27/803745327.db2.gz ZDVFGYBBYVYQAR-UHFFFAOYSA-N 1 2 277.220 3.283 20 30 CGEDLO COC(=O)c1ccccc1C[N@H+](CCC#N)C1CCCC1 ZINC001137787806 803772697 /nfs/dbraw/zinc/77/26/97/803772697.db2.gz RSPGLGWPBVLPSB-UHFFFAOYSA-N 1 2 286.375 3.131 20 30 CGEDLO COC(=O)c1ccccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001137787806 803772700 /nfs/dbraw/zinc/77/27/00/803772700.db2.gz RSPGLGWPBVLPSB-UHFFFAOYSA-N 1 2 286.375 3.131 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1F ZINC001137873791 803791282 /nfs/dbraw/zinc/79/12/82/803791282.db2.gz UUSDLXMLXPPVHV-CGJHYDBRSA-N 1 2 280.293 3.370 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1F ZINC001137873791 803791288 /nfs/dbraw/zinc/79/12/88/803791288.db2.gz UUSDLXMLXPPVHV-CGJHYDBRSA-N 1 2 280.293 3.370 20 30 CGEDLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001138402291 803920306 /nfs/dbraw/zinc/92/03/06/803920306.db2.gz LYKNPXDRHHMRRS-ZDUSSCGKSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001138402291 803920312 /nfs/dbraw/zinc/92/03/12/803920312.db2.gz LYKNPXDRHHMRRS-ZDUSSCGKSA-N 1 2 253.349 3.212 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001138608679 803978341 /nfs/dbraw/zinc/97/83/41/803978341.db2.gz NRHXXCCEWDJGKH-OAHLLOKOSA-N 1 2 269.392 3.022 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001138608679 803978345 /nfs/dbraw/zinc/97/83/45/803978345.db2.gz NRHXXCCEWDJGKH-OAHLLOKOSA-N 1 2 269.392 3.022 20 30 CGEDLO CCn1ccc2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc21 ZINC001139123956 804132658 /nfs/dbraw/zinc/13/26/58/804132658.db2.gz GCFMGNDLWVCHPT-HNNXBMFYSA-N 1 2 267.376 3.397 20 30 CGEDLO CCn1ccc2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc21 ZINC001139123956 804132660 /nfs/dbraw/zinc/13/26/60/804132660.db2.gz GCFMGNDLWVCHPT-HNNXBMFYSA-N 1 2 267.376 3.397 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1F ZINC001139526992 804201026 /nfs/dbraw/zinc/20/10/26/804201026.db2.gz RKYPSWKZGOVOGC-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cc1F ZINC001139526992 804201034 /nfs/dbraw/zinc/20/10/34/804201034.db2.gz RKYPSWKZGOVOGC-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO CCOc1ccc(C[N@H+](CC)CCC#N)cc1Cl ZINC001139595922 804218511 /nfs/dbraw/zinc/21/85/11/804218511.db2.gz OBFQCKSLEOANQY-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO CCOc1ccc(C[N@@H+](CC)CCC#N)cc1Cl ZINC001139595922 804218517 /nfs/dbraw/zinc/21/85/17/804218517.db2.gz OBFQCKSLEOANQY-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139693966 804255730 /nfs/dbraw/zinc/25/57/30/804255730.db2.gz WWAVJLYCNRKUTD-MJVIPROJSA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139693966 804255734 /nfs/dbraw/zinc/25/57/34/804255734.db2.gz WWAVJLYCNRKUTD-MJVIPROJSA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(O)cc1Cl)CC2 ZINC001140081937 804373706 /nfs/dbraw/zinc/37/37/06/804373706.db2.gz HKNCTNZEKMZOLB-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1Cl)CC2 ZINC001140081937 804373714 /nfs/dbraw/zinc/37/37/14/804373714.db2.gz HKNCTNZEKMZOLB-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140108393 804380533 /nfs/dbraw/zinc/38/05/33/804380533.db2.gz VWAOIJGUZPFAAS-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140108393 804380541 /nfs/dbraw/zinc/38/05/41/804380541.db2.gz VWAOIJGUZPFAAS-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337690 804417868 /nfs/dbraw/zinc/41/78/68/804417868.db2.gz ZMOKJRNVVUKWAC-CYBMUJFWSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337690 804417874 /nfs/dbraw/zinc/41/78/74/804417874.db2.gz ZMOKJRNVVUKWAC-CYBMUJFWSA-N 1 2 269.373 3.156 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c(Cl)c1 ZINC001140796881 804519156 /nfs/dbraw/zinc/51/91/56/804519156.db2.gz BVIZXQBUJRRKBU-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(Cl)c1 ZINC001140796881 804519159 /nfs/dbraw/zinc/51/91/59/804519159.db2.gz BVIZXQBUJRRKBU-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc2cccc(O)c2n1 ZINC001141023465 804573335 /nfs/dbraw/zinc/57/33/35/804573335.db2.gz LYFNEEVMIQXTMW-UHFFFAOYSA-N 1 2 283.375 3.456 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc2cccc(O)c2n1 ZINC001141023465 804573339 /nfs/dbraw/zinc/57/33/39/804573339.db2.gz LYFNEEVMIQXTMW-UHFFFAOYSA-N 1 2 283.375 3.456 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001141814713 804669937 /nfs/dbraw/zinc/66/99/37/804669937.db2.gz NYBGXGJFTMYKQR-IINYFYTJSA-N 1 2 291.192 3.305 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001141814713 804669939 /nfs/dbraw/zinc/66/99/39/804669939.db2.gz NYBGXGJFTMYKQR-IINYFYTJSA-N 1 2 291.192 3.305 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(F)c(F)cc1OC ZINC001143394538 804847644 /nfs/dbraw/zinc/84/76/44/804847644.db2.gz GLVVUXMLXRGUSF-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143644877 804881944 /nfs/dbraw/zinc/88/19/44/804881944.db2.gz LKNAZQTYXBOVSN-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143644877 804881949 /nfs/dbraw/zinc/88/19/49/804881949.db2.gz LKNAZQTYXBOVSN-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC001144163648 804946785 /nfs/dbraw/zinc/94/67/85/804946785.db2.gz PFIJVIGUAXTVHB-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC001144163648 804946789 /nfs/dbraw/zinc/94/67/89/804946789.db2.gz PFIJVIGUAXTVHB-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO C=CCCCCCCCCC(=O)NCCc1[nH+]ccn1C ZINC001144799109 805055640 /nfs/dbraw/zinc/05/56/40/805055640.db2.gz XMSQOOUHZDZDRG-UHFFFAOYSA-N 1 2 291.439 3.386 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H](F)C2)c1F ZINC001249672206 805209541 /nfs/dbraw/zinc/20/95/41/805209541.db2.gz ZXYXSEWXYCRNTE-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)c1F ZINC001249672206 805209548 /nfs/dbraw/zinc/20/95/48/805209548.db2.gz ZXYXSEWXYCRNTE-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CCN1CC[NH+](Cc2ccc(C)c(Cl)c2C)CC1 ZINC001250196038 805482616 /nfs/dbraw/zinc/48/26/16/805482616.db2.gz DCCOZTDFLYEMNQ-UHFFFAOYSA-N 1 2 278.827 3.260 20 30 CGEDLO COc1cc(Nc2ccccc2OCC#N)cc(C)[nH+]1 ZINC001212598483 815082158 /nfs/dbraw/zinc/08/21/58/815082158.db2.gz WRVUERHFGIEOIC-UHFFFAOYSA-N 1 2 269.304 3.045 20 30 CGEDLO CCc1cn(Cc2ccc(C#N)cc2Br)c[nH+]1 ZINC001166823470 807105448 /nfs/dbraw/zinc/10/54/48/807105448.db2.gz STPIIARDDQHDRO-UHFFFAOYSA-N 1 2 290.164 3.128 20 30 CGEDLO COc1ccc(Nc2ccc3c(c2)[nH+]cn3C)c(C#N)c1 ZINC001212783584 815137013 /nfs/dbraw/zinc/13/70/13/815137013.db2.gz VJIJBAMUFITJRL-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO C=CC[C@@H](Nc1cc([NH+](CC)CC)ccc1C)C(=O)OC ZINC001169844339 807715024 /nfs/dbraw/zinc/71/50/24/807715024.db2.gz IUKDHKMGJVEKHS-OAHLLOKOSA-N 1 2 290.407 3.371 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCCOCC1 ZINC001170792212 807907386 /nfs/dbraw/zinc/90/73/86/807907386.db2.gz IPLPDSLIMXVIQR-OAHLLOKOSA-N 1 2 285.428 3.049 20 30 CGEDLO CSc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(C)[nH+]1 ZINC001171060549 807976383 /nfs/dbraw/zinc/97/63/83/807976383.db2.gz XNHVLINHFUAZGC-CQSZACIVSA-N 1 2 296.399 3.478 20 30 CGEDLO CCCC[N@H+](CC#N)[C@H]1CCc2c(C)cccc2C1 ZINC001171574754 808101882 /nfs/dbraw/zinc/10/18/82/808101882.db2.gz OYNUPARITGSFPZ-INIZCTEOSA-N 1 2 256.393 3.478 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2c(C)cccc2C1 ZINC001171574754 808101886 /nfs/dbraw/zinc/10/18/86/808101886.db2.gz OYNUPARITGSFPZ-INIZCTEOSA-N 1 2 256.393 3.478 20 30 CGEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001172352016 808249475 /nfs/dbraw/zinc/24/94/75/808249475.db2.gz YBNXCWDTYYERQM-QLFBSQMISA-N 1 2 287.444 3.028 20 30 CGEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001172504722 808361135 /nfs/dbraw/zinc/36/11/35/808361135.db2.gz IIZMXHZRZVHKBA-CABCVRRESA-N 1 2 287.444 3.029 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)=C1CCCC1 ZINC001267238305 808392919 /nfs/dbraw/zinc/39/29/19/808392919.db2.gz GQJRKDAEHSOAQD-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)=C1CCCC1 ZINC001267238305 808392927 /nfs/dbraw/zinc/39/29/27/808392927.db2.gz GQJRKDAEHSOAQD-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172923914 808482079 /nfs/dbraw/zinc/48/20/79/808482079.db2.gz QAGQBIIUMGJQAV-JKSUJKDBSA-N 1 2 299.455 3.437 20 30 CGEDLO C=C(C)CCC(=O)N1CCC2(C[NH+](CC(=C)Cl)C2)CC1 ZINC001268045338 808532474 /nfs/dbraw/zinc/53/24/74/808532474.db2.gz ZHKOSPJXBHOHJM-UHFFFAOYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(C)CCCCC1 ZINC001268744671 808620996 /nfs/dbraw/zinc/62/09/96/808620996.db2.gz BHVGOAHDIGRTKO-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(C)CCCCC1 ZINC001268744671 808621000 /nfs/dbraw/zinc/62/10/00/808621000.db2.gz BHVGOAHDIGRTKO-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@](C)(C#N)C(C)C)CC2 ZINC001173605051 808652613 /nfs/dbraw/zinc/65/26/13/808652613.db2.gz VWWMLNIBSXGLJG-OBKBAYEDSA-N 1 2 292.423 3.026 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@](C)(F)CCCC ZINC001275864921 808972905 /nfs/dbraw/zinc/97/29/05/808972905.db2.gz CWQVKWKWCDYJFZ-JSGCOSHPSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@](C)(F)CCCC ZINC001275864921 808972910 /nfs/dbraw/zinc/97/29/10/808972910.db2.gz CWQVKWKWCDYJFZ-JSGCOSHPSA-N 1 2 292.826 3.094 20 30 CGEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@](C)(CC)CCCCC ZINC001276976602 809052092 /nfs/dbraw/zinc/05/20/92/809052092.db2.gz DNBGFVGYDBLBJA-WMZOPIPTSA-N 1 2 292.467 3.197 20 30 CGEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@](C)(CC)CCCCC ZINC001276976602 809052099 /nfs/dbraw/zinc/05/20/99/809052099.db2.gz DNBGFVGYDBLBJA-WMZOPIPTSA-N 1 2 292.467 3.197 20 30 CGEDLO N#Cc1ccc(O)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174525211 809060979 /nfs/dbraw/zinc/06/09/79/809060979.db2.gz ZQJOJLVVKTZWJK-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001282410952 809246441 /nfs/dbraw/zinc/24/64/41/809246441.db2.gz GOUODNLVGJEAMH-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001282410952 809246450 /nfs/dbraw/zinc/24/64/50/809246450.db2.gz GOUODNLVGJEAMH-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C#Cc1cc(Nc2cccc(O[C@@H]3CCCCO3)c2)cc[nH+]1 ZINC001175183361 809301860 /nfs/dbraw/zinc/30/18/60/809301860.db2.gz PGLQSHILLXCEOB-GOSISDBHSA-N 1 2 294.354 3.134 20 30 CGEDLO N#Cc1cc(Nc2cccc(-n3cc[nH+]c3)c2)ccc1N ZINC001213435800 815281753 /nfs/dbraw/zinc/28/17/53/815281753.db2.gz GMJZVLYQUJYTJA-UHFFFAOYSA-N 1 2 275.315 3.070 20 30 CGEDLO N#Cc1cccc(O)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716138 809518373 /nfs/dbraw/zinc/51/83/73/809518373.db2.gz UNBRKOBKSITSBI-UHFFFAOYSA-N 1 2 294.236 3.003 20 30 CGEDLO CCc1cc(C#N)ccc1Nc1c[nH+]ccc1OC ZINC001176121123 809627422 /nfs/dbraw/zinc/62/74/22/809627422.db2.gz OQHRBWYSXKAMHU-UHFFFAOYSA-N 1 2 253.305 3.268 20 30 CGEDLO N#Cc1nc(Cl)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743445 809756202 /nfs/dbraw/zinc/75/62/02/809756202.db2.gz KVFALFWCYHDASV-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(OCC)o1)Cc1ccccc1 ZINC001181637493 810062085 /nfs/dbraw/zinc/06/20/85/810062085.db2.gz ITSMRQGJQZZHDS-UHFFFAOYSA-N 1 2 269.344 3.314 20 30 CGEDLO C#CC[N@H+](Cc1ccc(OCC)o1)Cc1ccccc1 ZINC001181637493 810062089 /nfs/dbraw/zinc/06/20/89/810062089.db2.gz ITSMRQGJQZZHDS-UHFFFAOYSA-N 1 2 269.344 3.314 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc(Cl)cc1 ZINC001182152192 810095498 /nfs/dbraw/zinc/09/54/98/810095498.db2.gz KMPUAMRWIZNRIX-CYBMUJFWSA-N 1 2 294.185 3.191 20 30 CGEDLO CCCCCCCNC(=O)NCc1ccc2[nH+]ccn2c1 ZINC001191121782 810679950 /nfs/dbraw/zinc/67/99/50/810679950.db2.gz NBVWNFAVQHRYCO-UHFFFAOYSA-N 1 2 288.395 3.104 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC001192915535 810827939 /nfs/dbraw/zinc/82/79/39/810827939.db2.gz FJYMFRSMVXDSFM-HNNXBMFYSA-N 1 2 294.443 3.321 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)N(CC)C1C[NH+](C)C1 ZINC001192937985 810831256 /nfs/dbraw/zinc/83/12/56/810831256.db2.gz LXUXMVAJVBUVGT-AWEZNQCLSA-N 1 2 283.460 3.081 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)co2)C1 ZINC001232854608 818456306 /nfs/dbraw/zinc/45/63/06/818456306.db2.gz MQDVSNCFOYPRPX-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(OC)c(C#N)c2)c[nH+]1 ZINC001214998998 815474880 /nfs/dbraw/zinc/47/48/80/815474880.db2.gz TYXUVQJVGMODKU-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO Cc1ccc(Nc2ncc(C#N)cc2Cl)c(C)[nH+]1 ZINC001203368079 812326533 /nfs/dbraw/zinc/32/65/33/812326533.db2.gz UHGJHWIRXFMPJS-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO CNc1ccc(Nc2sc(C)c(C)c2C#N)c[nH+]1 ZINC001203448567 812361187 /nfs/dbraw/zinc/36/11/87/812361187.db2.gz ASFDPNNPPXFSKC-UHFFFAOYSA-N 1 2 258.350 3.417 20 30 CGEDLO COC(=O)c1ccc(Nc2cc(C)c[nH+]c2C)c(C#N)c1 ZINC001203667115 812424128 /nfs/dbraw/zinc/42/41/28/812424128.db2.gz HMSOQTYRVBDNMC-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO COc1cc(Nc2cc(F)c(C#N)c(F)c2)cc(C)[nH+]1 ZINC001203674019 812425915 /nfs/dbraw/zinc/42/59/15/812425915.db2.gz DXUIIIQMRPLWBU-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO CC(=O)n1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c2ccccc21 ZINC001204413049 812631776 /nfs/dbraw/zinc/63/17/76/812631776.db2.gz YENBTKUDBBLNLY-QGZVFWFLSA-N 1 2 281.359 3.037 20 30 CGEDLO CC(=O)n1cc(C[N@H+]2CC[C@](C)(C#N)C2)c2ccccc21 ZINC001204413049 812631781 /nfs/dbraw/zinc/63/17/81/812631781.db2.gz YENBTKUDBBLNLY-QGZVFWFLSA-N 1 2 281.359 3.037 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001204497217 812657674 /nfs/dbraw/zinc/65/76/74/812657674.db2.gz MVNHWYOWVGMSOH-UHFFFAOYSA-N 1 2 272.392 3.383 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001204497217 812657677 /nfs/dbraw/zinc/65/76/77/812657677.db2.gz MVNHWYOWVGMSOH-UHFFFAOYSA-N 1 2 272.392 3.383 20 30 CGEDLO Cc1cc(O)c[nH+]c1Nc1c(C)cc(C#N)cc1C ZINC001215645034 815550868 /nfs/dbraw/zinc/55/08/68/815550868.db2.gz AUWJQZVTTAHVQE-UHFFFAOYSA-N 1 2 253.305 3.328 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001204921766 812776973 /nfs/dbraw/zinc/77/69/73/812776973.db2.gz AAGPOGRDVHGFNB-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(F)c1 ZINC001204921766 812776976 /nfs/dbraw/zinc/77/69/76/812776976.db2.gz AAGPOGRDVHGFNB-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO N#Cc1ccc(F)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204983343 812810994 /nfs/dbraw/zinc/81/09/94/812810994.db2.gz SLHKMTKUYQYJLP-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(SC)c2)cc[nH+]1 ZINC001215794228 815594754 /nfs/dbraw/zinc/59/47/54/815594754.db2.gz SNLGVRUOTTTZGI-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)C(=O)OC ZINC001207129822 813492846 /nfs/dbraw/zinc/49/28/46/813492846.db2.gz SFJBFZPYCLUIMQ-UPTPFMHGSA-N 1 2 287.403 3.204 20 30 CGEDLO CCCC[N@@H+](CC#N)CCCCCCC(=O)OCC ZINC001209349844 814001430 /nfs/dbraw/zinc/00/14/30/814001430.db2.gz BCEADQDHJHEYLO-UHFFFAOYSA-N 1 2 268.401 3.126 20 30 CGEDLO CCCC[N@H+](CC#N)CCCCCCC(=O)OCC ZINC001209349844 814001433 /nfs/dbraw/zinc/00/14/33/814001433.db2.gz BCEADQDHJHEYLO-UHFFFAOYSA-N 1 2 268.401 3.126 20 30 CGEDLO N#Cc1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cn1 ZINC001209518020 814071325 /nfs/dbraw/zinc/07/13/25/814071325.db2.gz QRVXPGOYXPXBQD-UHFFFAOYSA-N 1 2 280.718 3.320 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209658490 814108711 /nfs/dbraw/zinc/10/87/11/814108711.db2.gz BPWJVULRHOOHAG-JTQLQIEISA-N 1 2 259.740 3.167 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209658490 814108715 /nfs/dbraw/zinc/10/87/15/814108715.db2.gz BPWJVULRHOOHAG-JTQLQIEISA-N 1 2 259.740 3.167 20 30 CGEDLO N#Cc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001209927251 814201422 /nfs/dbraw/zinc/20/14/22/814201422.db2.gz PACWVIDJXRMXJT-UHFFFAOYSA-N 1 2 293.370 3.134 20 30 CGEDLO CC(C)Oc1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001210024281 814250265 /nfs/dbraw/zinc/25/02/65/814250265.db2.gz SZSQMUWVTUPZOF-UHFFFAOYSA-N 1 2 285.347 3.113 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(F)cc1C#N ZINC001210549985 814520121 /nfs/dbraw/zinc/52/01/21/814520121.db2.gz DWVCGNSFFXYBAO-UHFFFAOYSA-N 1 2 257.268 3.235 20 30 CGEDLO C#Cc1cc(Nc2ccc(C3CC3)c(OC)c2)cc[nH+]1 ZINC001216248251 815753710 /nfs/dbraw/zinc/75/37/10/815753710.db2.gz KCZWHUBNLABUKW-UHFFFAOYSA-N 1 2 264.328 3.114 20 30 CGEDLO CCCCCCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224581131 816830936 /nfs/dbraw/zinc/83/09/36/816830936.db2.gz OYSLNJAGLHCNSW-CVEARBPZSA-N 1 2 299.455 3.389 20 30 CGEDLO CCCCCCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224581131 816830944 /nfs/dbraw/zinc/83/09/44/816830944.db2.gz OYSLNJAGLHCNSW-CVEARBPZSA-N 1 2 299.455 3.389 20 30 CGEDLO C[NH+]1CC(Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228497106 817922692 /nfs/dbraw/zinc/92/26/92/817922692.db2.gz CRQAHGBZKCHMAT-FMIVXFBMSA-N 1 2 293.366 3.276 20 30 CGEDLO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001231805495 818180058 /nfs/dbraw/zinc/18/00/58/818180058.db2.gz NNQHWOMAQRTUEP-CQSZACIVSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001231805495 818180063 /nfs/dbraw/zinc/18/00/63/818180063.db2.gz NNQHWOMAQRTUEP-CQSZACIVSA-N 1 2 258.365 3.209 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001232115518 818259855 /nfs/dbraw/zinc/25/98/55/818259855.db2.gz SBFJQIKAOXGBOK-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001232115518 818259856 /nfs/dbraw/zinc/25/98/56/818259856.db2.gz SBFJQIKAOXGBOK-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1Cl ZINC001232115517 818259956 /nfs/dbraw/zinc/25/99/56/818259956.db2.gz SBFJQIKAOXGBOK-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1Cl ZINC001232115517 818259961 /nfs/dbraw/zinc/25/99/61/818259961.db2.gz SBFJQIKAOXGBOK-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO CCC[N@H+](CCc1ccccn1)Cc1cc(C#N)ccc1O ZINC001232678871 818417133 /nfs/dbraw/zinc/41/71/33/818417133.db2.gz SCKQGBRFUBYJFM-UHFFFAOYSA-N 1 2 295.386 3.114 20 30 CGEDLO CCC[N@@H+](CCc1ccccn1)Cc1cc(C#N)ccc1O ZINC001232678871 818417136 /nfs/dbraw/zinc/41/71/36/818417136.db2.gz SCKQGBRFUBYJFM-UHFFFAOYSA-N 1 2 295.386 3.114 20 30 CGEDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678233 818417211 /nfs/dbraw/zinc/41/72/11/818417211.db2.gz RDMACUKSNOHKDX-ZDUSSCGKSA-N 1 2 278.355 3.211 20 30 CGEDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678233 818417217 /nfs/dbraw/zinc/41/72/17/818417217.db2.gz RDMACUKSNOHKDX-ZDUSSCGKSA-N 1 2 278.355 3.211 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)co2)C1 ZINC001232854608 818456304 /nfs/dbraw/zinc/45/63/04/818456304.db2.gz MQDVSNCFOYPRPX-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO CCOC(=O)c1ccsc1C[NH+]1CCC(C)(C#N)CC1 ZINC001233021469 818503326 /nfs/dbraw/zinc/50/33/26/818503326.db2.gz MDKJFVJVGRSBEO-UHFFFAOYSA-N 1 2 292.404 3.050 20 30 CGEDLO C[N@H+](Cc1[nH]ccc1C#N)Cc1cccc2cccnc21 ZINC001233046751 818508135 /nfs/dbraw/zinc/50/81/35/818508135.db2.gz ILFJGDKOCQTDHF-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO C[N@@H+](Cc1[nH]ccc1C#N)Cc1cccc2cccnc21 ZINC001233046751 818508143 /nfs/dbraw/zinc/50/81/43/818508143.db2.gz ILFJGDKOCQTDHF-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001233047332 818509004 /nfs/dbraw/zinc/50/90/04/818509004.db2.gz WPVFZXRLEPVEFS-OAHLLOKOSA-N 1 2 298.415 3.038 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001233047332 818509010 /nfs/dbraw/zinc/50/90/10/818509010.db2.gz WPVFZXRLEPVEFS-OAHLLOKOSA-N 1 2 298.415 3.038 20 30 CGEDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(F)c1C#N ZINC001233096865 818521889 /nfs/dbraw/zinc/52/18/89/818521889.db2.gz MUISCPJDSRKWQD-CYBMUJFWSA-N 1 2 293.361 3.087 20 30 CGEDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](F)C2)c(F)c1C#N ZINC001233096865 818521893 /nfs/dbraw/zinc/52/18/93/818521893.db2.gz MUISCPJDSRKWQD-CYBMUJFWSA-N 1 2 293.361 3.087 20 30 CGEDLO COc1cc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001233343913 818590605 /nfs/dbraw/zinc/59/06/05/818590605.db2.gz FWIOFLGAGLJKCC-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001233343913 818590612 /nfs/dbraw/zinc/59/06/12/818590612.db2.gz FWIOFLGAGLJKCC-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445145 818621196 /nfs/dbraw/zinc/62/11/96/818621196.db2.gz SUTMEJADNRDYHP-GFCCVEGCSA-N 1 2 271.751 3.234 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445145 818621200 /nfs/dbraw/zinc/62/12/00/818621200.db2.gz SUTMEJADNRDYHP-GFCCVEGCSA-N 1 2 271.751 3.234 20 30 CGEDLO Cc1cc(Br)cc(C)c1C[NH+]1CC(CC#N)C1 ZINC001235782037 819167624 /nfs/dbraw/zinc/16/76/24/819167624.db2.gz VAAVDVJSSSIONX-UHFFFAOYSA-N 1 2 293.208 3.411 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237147295 819678649 /nfs/dbraw/zinc/67/86/49/819678649.db2.gz YPHFJWVWGAOYIM-CYBMUJFWSA-N 1 2 284.281 3.147 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237147295 819678651 /nfs/dbraw/zinc/67/86/51/819678651.db2.gz YPHFJWVWGAOYIM-CYBMUJFWSA-N 1 2 284.281 3.147 20 30 CGEDLO CCCCOC1C[NH+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470135 819758629 /nfs/dbraw/zinc/75/86/29/819758629.db2.gz FCGWABQWAKPLFC-UHFFFAOYSA-N 1 2 297.402 3.051 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cnc(C3CC3)s1)C2 ZINC001237786994 819839618 /nfs/dbraw/zinc/83/96/18/819839618.db2.gz OTXDCSIHPZMCTE-UHFFFAOYSA-N 1 2 295.411 3.450 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cnc(C3CC3)s1)C2 ZINC001237786994 819839626 /nfs/dbraw/zinc/83/96/26/819839626.db2.gz OTXDCSIHPZMCTE-UHFFFAOYSA-N 1 2 295.411 3.450 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937393 819890684 /nfs/dbraw/zinc/89/06/84/819890684.db2.gz PTVVGKRZCWCPQU-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937393 819890697 /nfs/dbraw/zinc/89/06/97/819890697.db2.gz PTVVGKRZCWCPQU-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#Cc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccc1Cl ZINC001238199445 819954897 /nfs/dbraw/zinc/95/48/97/819954897.db2.gz UKMOWKSBWIKSNX-GFCCVEGCSA-N 1 2 296.798 3.241 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2OC)C1 ZINC001238342080 819978060 /nfs/dbraw/zinc/97/80/60/819978060.db2.gz NSIVFCURTYYYKB-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2OC)C1 ZINC001238342080 819978063 /nfs/dbraw/zinc/97/80/63/819978063.db2.gz NSIVFCURTYYYKB-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)cc(C)c1OC(C)C ZINC001238754086 820107554 /nfs/dbraw/zinc/10/75/54/820107554.db2.gz DICQXCAAQVIMIS-UHFFFAOYSA-N 1 2 260.381 3.436 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)cc(C)c1OC(C)C ZINC001238754086 820107558 /nfs/dbraw/zinc/10/75/58/820107558.db2.gz DICQXCAAQVIMIS-UHFFFAOYSA-N 1 2 260.381 3.436 20 30 CGEDLO CCc1cc(C[NH+]2CC(Oc3ccccc3)C2)ccc1C#N ZINC001238776975 820114432 /nfs/dbraw/zinc/11/44/32/820114432.db2.gz XZGNAZJMNDVMED-UHFFFAOYSA-N 1 2 292.382 3.384 20 30 CGEDLO N#Cc1ncc(-c2ccccc2Cn2cc[nH+]c2)cc1F ZINC001238990591 820183859 /nfs/dbraw/zinc/18/38/59/820183859.db2.gz ABZKYVZBVKFJPO-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#Cc1cc(C#N)cc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243659306 823477264 /nfs/dbraw/zinc/47/72/64/823477264.db2.gz RGHMVTCUJGBGFB-UHFFFAOYSA-N 1 2 284.322 3.342 20 30 CGEDLO N#CCc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC001243658293 823477445 /nfs/dbraw/zinc/47/74/45/823477445.db2.gz WZMGQEAYHHMFCH-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001243659331 823477556 /nfs/dbraw/zinc/47/75/56/823477556.db2.gz SNTVWLXQPSZGSL-UHFFFAOYSA-N 1 2 284.322 3.342 20 30 CGEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)nc(C(F)(F)F)c1 ZINC001240214259 820883276 /nfs/dbraw/zinc/88/32/76/820883276.db2.gz LNYALCFRUHYDPY-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#Cc1cnc2cc(-c3ccc4[nH+]ccn4c3)ccc2c1 ZINC001240219058 820895957 /nfs/dbraw/zinc/89/59/57/820895957.db2.gz WZJBNBMQMUSZLH-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO Cc1cc(-c2ccn3cc[nH+]c3c2)cc(F)c1C#N ZINC001240512106 821108693 /nfs/dbraw/zinc/10/86/93/821108693.db2.gz OWVLTVIZPXQUAT-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cc1cncc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001240805130 821347423 /nfs/dbraw/zinc/34/74/23/821347423.db2.gz VWJGBLSYYUABOH-YBFXNURJSA-N 1 2 264.332 3.150 20 30 CGEDLO COc1cc(C#N)ccc1-c1cc(C)cn2cc[nH+]c12 ZINC001241404301 821802550 /nfs/dbraw/zinc/80/25/50/821802550.db2.gz IXYUWTSHNSJDQX-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO CC1(C)CC(=O)C=C(c2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC001242314791 822949180 /nfs/dbraw/zinc/94/91/80/822949180.db2.gz GRLLAAYKDOSNRS-UHFFFAOYSA-N 1 2 281.359 3.099 20 30 CGEDLO CN(C)c1cc(CSCCC(C)(C)C#N)cc[nH+]1 ZINC001338919481 936339230 /nfs/dbraw/zinc/33/92/30/936339230.db2.gz MRJIMZMWTIMEQG-UHFFFAOYSA-N 1 2 263.410 3.321 20 30 CGEDLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC001339101806 936350166 /nfs/dbraw/zinc/35/01/66/936350166.db2.gz DPNYZPPFMBXJNZ-INIZCTEOSA-N 1 2 293.370 3.146 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/COc2c(C)ccc(C)c2C1=O ZINC001350599744 936995452 /nfs/dbraw/zinc/99/54/52/936995452.db2.gz KUBONALRWZUBGI-QPEQYQDCSA-N 1 2 282.343 3.179 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001480322764 937046097 /nfs/dbraw/zinc/04/60/97/937046097.db2.gz IRCSHYJYFJYPSC-GDBMZVCRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001480322764 937046099 /nfs/dbraw/zinc/04/60/99/937046099.db2.gz IRCSHYJYFJYPSC-GDBMZVCRSA-N 1 2 296.842 3.066 20 30 CGEDLO Cc1cc(C)[nH+]c(CN2CCCC(C)(C)[C@@H]2C#N)c1 ZINC001354710893 937111014 /nfs/dbraw/zinc/11/10/14/937111014.db2.gz BCUGOOBVLSNDBG-HNNXBMFYSA-N 1 2 257.381 3.213 20 30 CGEDLO N#Cc1ccc(CCNc2[nH+]cccc2-n2cccc2)cc1 ZINC001167677276 926823079 /nfs/dbraw/zinc/82/30/79/926823079.db2.gz WIMXOLKGQAWITM-UHFFFAOYSA-N 1 2 288.354 3.399 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)CCC)CC2 ZINC001482241625 927184074 /nfs/dbraw/zinc/18/40/74/927184074.db2.gz IFAOWISKSBNQRW-ZDUSSCGKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001483885065 927638161 /nfs/dbraw/zinc/63/81/61/927638161.db2.gz IJMAFIJSTUXNQY-AWEZNQCLSA-N 1 2 280.456 3.168 20 30 CGEDLO Cc1cn2cc(NC(=O)c3cc(C#N)ccc3C)ccc2[nH+]1 ZINC001358363444 937195440 /nfs/dbraw/zinc/19/54/40/937195440.db2.gz OCZQFUDORISBTC-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO C=CCCCCC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001460083950 937514819 /nfs/dbraw/zinc/51/48/19/937514819.db2.gz KTVHOYDQAOWXHE-UHFFFAOYSA-N 1 2 286.419 3.390 20 30 CGEDLO C=CCCCCC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001460083950 937514822 /nfs/dbraw/zinc/51/48/22/937514822.db2.gz KTVHOYDQAOWXHE-UHFFFAOYSA-N 1 2 286.419 3.390 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364828 937528860 /nfs/dbraw/zinc/52/88/60/937528860.db2.gz UHBZBCYWTHJKOP-XJKSGUPXSA-N 1 2 291.366 3.328 20 30 CGEDLO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364828 937528862 /nfs/dbraw/zinc/52/88/62/937528862.db2.gz UHBZBCYWTHJKOP-XJKSGUPXSA-N 1 2 291.366 3.328 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001140600945 931958837 /nfs/dbraw/zinc/95/88/37/931958837.db2.gz BIGZGXWUKMQAMA-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001140600945 931958844 /nfs/dbraw/zinc/95/88/44/931958844.db2.gz BIGZGXWUKMQAMA-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO CC(C)(C)[NH+]1CC(Oc2cc(C#N)ccc2Cl)C1 ZINC001229249129 932122414 /nfs/dbraw/zinc/12/24/14/932122414.db2.gz RYYOSLLWVNHZLH-UHFFFAOYSA-N 1 2 264.756 3.073 20 30 CGEDLO N#CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001461811809 937598947 /nfs/dbraw/zinc/59/89/47/937598947.db2.gz NOSUHHMGCXOBQL-UHFFFAOYSA-N 1 2 271.295 3.016 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001230233973 932545218 /nfs/dbraw/zinc/54/52/18/932545218.db2.gz LCRZKTANASLJKI-UHFFFAOYSA-N 1 2 289.423 3.490 20 30 CGEDLO C[C@H](CC(C)(C)S)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922006 932642858 /nfs/dbraw/zinc/64/28/58/932642858.db2.gz XCULLKJAGHUJEP-SNVBAGLBSA-N 1 2 279.405 3.233 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001339280765 932944425 /nfs/dbraw/zinc/94/44/25/932944425.db2.gz MYTJYCIMOMKEAY-KRWDZBQOSA-N 1 2 295.386 3.443 20 30 CGEDLO CCc1cn(Cc2ccc(Br)cc2C#N)c[nH+]1 ZINC001307396830 932947163 /nfs/dbraw/zinc/94/71/63/932947163.db2.gz DPEDLLZHHBQAAD-UHFFFAOYSA-N 1 2 290.164 3.128 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001308140174 933056125 /nfs/dbraw/zinc/05/61/25/933056125.db2.gz FEYULUWOIHCXGW-AWEZNQCLSA-N 1 2 290.313 3.147 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001308140174 933056130 /nfs/dbraw/zinc/05/61/30/933056130.db2.gz FEYULUWOIHCXGW-AWEZNQCLSA-N 1 2 290.313 3.147 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC(C)(C)C1CC1 ZINC001317480096 933249002 /nfs/dbraw/zinc/24/90/02/933249002.db2.gz OPFRIYNGBJEVBL-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC(C)(C)C1CC1 ZINC001317480096 933249004 /nfs/dbraw/zinc/24/90/04/933249004.db2.gz OPFRIYNGBJEVBL-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001317981501 933672685 /nfs/dbraw/zinc/67/26/85/933672685.db2.gz LKSTZCSOKXNDGM-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001317981501 933672690 /nfs/dbraw/zinc/67/26/90/933672690.db2.gz LKSTZCSOKXNDGM-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC(CC)(CC)C2)c1=S ZINC001319128432 933830441 /nfs/dbraw/zinc/83/04/41/933830441.db2.gz YCWMRRJLJGEFBG-UHFFFAOYSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC(CC)(CC)C2)c1=S ZINC001319128432 933830451 /nfs/dbraw/zinc/83/04/51/933830451.db2.gz YCWMRRJLJGEFBG-UHFFFAOYSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1cccc(C)c1)C(=O)OCC ZINC001321147040 934156003 /nfs/dbraw/zinc/15/60/03/934156003.db2.gz ACJIZFXOJQKQTB-NVXWUHKLSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)CC(C)C ZINC001322274641 934269365 /nfs/dbraw/zinc/26/93/65/934269365.db2.gz PBMNXOQPUKUMRE-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)CC(C)C ZINC001322274641 934269374 /nfs/dbraw/zinc/26/93/74/934269374.db2.gz PBMNXOQPUKUMRE-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO CN(C)c1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001322820082 934340211 /nfs/dbraw/zinc/34/02/11/934340211.db2.gz NXUGOARRLRUJGA-FMIVXFBMSA-N 1 2 295.386 3.110 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001323546974 934406206 /nfs/dbraw/zinc/40/62/06/934406206.db2.gz ZTVBMPZGFBBHPY-FLIBITNWSA-N 1 2 282.343 3.052 20 30 CGEDLO C=CCCCC(=O)N(C)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC001323969930 934443980 /nfs/dbraw/zinc/44/39/80/934443980.db2.gz JODLGAPWMRWKDE-XFXZXTDPSA-N 1 2 298.430 3.199 20 30 CGEDLO N#Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)cc1Cl ZINC001336419024 936192732 /nfs/dbraw/zinc/19/27/32/936192732.db2.gz RDVCKGPOVAJFJM-UHFFFAOYSA-N 1 2 286.766 3.319 20 30 CGEDLO CC[N@@H+](CCC#N)CCSc1ccc(OC)cc1 ZINC001474414485 937858234 /nfs/dbraw/zinc/85/82/34/937858234.db2.gz GXAHJRRNKZPBOU-UHFFFAOYSA-N 1 2 264.394 3.023 20 30 CGEDLO CC[N@H+](CCC#N)CCSc1ccc(OC)cc1 ZINC001474414485 937858235 /nfs/dbraw/zinc/85/82/35/937858235.db2.gz GXAHJRRNKZPBOU-UHFFFAOYSA-N 1 2 264.394 3.023 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001507379891 937995592 /nfs/dbraw/zinc/99/55/92/937995592.db2.gz CCFFULBAHSCSBA-LSDHHAIUSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001507379891 937995593 /nfs/dbraw/zinc/99/55/93/937995593.db2.gz CCFFULBAHSCSBA-LSDHHAIUSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(C)c1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001558713354 938217366 /nfs/dbraw/zinc/21/73/66/938217366.db2.gz LUWAXCQABFBOCV-UHFFFAOYSA-N 1 2 255.321 3.014 20 30 CGEDLO C=C(C)c1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001558713354 938217367 /nfs/dbraw/zinc/21/73/67/938217367.db2.gz LUWAXCQABFBOCV-UHFFFAOYSA-N 1 2 255.321 3.014 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccccn1 ZINC001559863602 938237513 /nfs/dbraw/zinc/23/75/13/938237513.db2.gz GJKPVQJQLRGDDV-UHFFFAOYSA-N 1 2 270.763 3.219 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccn1 ZINC001559863602 938237514 /nfs/dbraw/zinc/23/75/14/938237514.db2.gz GJKPVQJQLRGDDV-UHFFFAOYSA-N 1 2 270.763 3.219 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC001560014512 938241941 /nfs/dbraw/zinc/24/19/41/938241941.db2.gz VUGBDQJADWYRKB-UHFFFAOYSA-N 1 2 264.328 3.088 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC001560014512 938241942 /nfs/dbraw/zinc/24/19/42/938241942.db2.gz VUGBDQJADWYRKB-UHFFFAOYSA-N 1 2 264.328 3.088 20 30 CGEDLO C#CC1(O)C[NH+](Cc2ccccc2-c2ccc(C)cc2C)C1 ZINC001561036420 938291106 /nfs/dbraw/zinc/29/11/06/938291106.db2.gz ACGHTOKPOPZMIF-UHFFFAOYSA-N 1 2 291.394 3.150 20 30 CGEDLO CCCc1cc(N2CCc3cc(C#N)ccc3C2)nc(C)[nH+]1 ZINC001164482055 958839863 /nfs/dbraw/zinc/83/98/63/958839863.db2.gz PRTSABHPXHMSRW-UHFFFAOYSA-N 1 2 292.386 3.172 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@](C)(CC)CCC ZINC001567312232 961279002 /nfs/dbraw/zinc/27/90/02/961279002.db2.gz UZNOFVFZBNKIRQ-AWEZNQCLSA-N 1 2 274.836 3.003 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3csc(Cl)n3)CC2)c1 ZINC000294971038 199276986 /nfs/dbraw/zinc/27/69/86/199276986.db2.gz KZJHKEBWCWCWKG-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO COC(=O)c1ccc(C[N@H+](CCC#N)C(C)C)cc1Cl ZINC000590698574 346865153 /nfs/dbraw/zinc/86/51/53/346865153.db2.gz ZSHXPGYOPBLJQL-UHFFFAOYSA-N 1 2 294.782 3.251 20 30 CGEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)C(C)C)cc1Cl ZINC000590698574 346865156 /nfs/dbraw/zinc/86/51/56/346865156.db2.gz ZSHXPGYOPBLJQL-UHFFFAOYSA-N 1 2 294.782 3.251 20 30 CGEDLO C=CC[C@@H]1CC[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000652173980 398326638 /nfs/dbraw/zinc/32/66/38/398326638.db2.gz DGKJSUGATLEDMT-HUUCEWRRSA-N 1 2 287.407 3.075 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(CC(F)(F)F)C2)c(F)c1 ZINC000590968844 346891962 /nfs/dbraw/zinc/89/19/62/346891962.db2.gz ZYLCVQBQUDEBOI-UHFFFAOYSA-N 1 2 272.245 3.082 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)o1 ZINC000158129863 136389505 /nfs/dbraw/zinc/38/95/05/136389505.db2.gz NDAHXBKJCMHHQB-UHFFFAOYSA-N 1 2 282.347 3.149 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)no1 ZINC000367007695 529747239 /nfs/dbraw/zinc/74/72/39/529747239.db2.gz SCVBZPMRTFSYQZ-GFCCVEGCSA-N 1 2 276.384 3.099 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)no1 ZINC000367007695 529747240 /nfs/dbraw/zinc/74/72/40/529747240.db2.gz SCVBZPMRTFSYQZ-GFCCVEGCSA-N 1 2 276.384 3.099 20 30 CGEDLO CC[N@H+](Cc1ccncc1C#N)[C@H](C)c1cccc(O)c1 ZINC000592072767 346960705 /nfs/dbraw/zinc/96/07/05/346960705.db2.gz XOLPEBKEPICKIW-CYBMUJFWSA-N 1 2 281.359 3.242 20 30 CGEDLO CC[N@@H+](Cc1ccncc1C#N)[C@H](C)c1cccc(O)c1 ZINC000592072767 346960708 /nfs/dbraw/zinc/96/07/08/346960708.db2.gz XOLPEBKEPICKIW-CYBMUJFWSA-N 1 2 281.359 3.242 20 30 CGEDLO COc1ccccc1C1([NH2+]Cc2ccccc2C#N)CC1 ZINC000592143357 346967107 /nfs/dbraw/zinc/96/71/07/346967107.db2.gz VPQAFWLDOKRPMD-UHFFFAOYSA-N 1 2 278.355 3.346 20 30 CGEDLO Cc1ccc(C)c(C[N@H+](C)Cc2ccncc2C#N)c1 ZINC000592112897 346963979 /nfs/dbraw/zinc/96/39/79/346963979.db2.gz OQWPLHWCWVQOPS-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1ccc(C)c(C[N@@H+](C)Cc2ccncc2C#N)c1 ZINC000592112897 346963982 /nfs/dbraw/zinc/96/39/82/346963982.db2.gz OQWPLHWCWVQOPS-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1F ZINC000054183369 260216877 /nfs/dbraw/zinc/21/68/77/260216877.db2.gz HBYDBTQEKXMRSU-NSHDSACASA-N 1 2 285.160 3.370 20 30 CGEDLO CC(C)(C#N)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050487984 345082832 /nfs/dbraw/zinc/08/28/32/345082832.db2.gz YESMOEQXFJUMHT-UHFFFAOYSA-N 1 2 281.315 3.362 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1Nc1nnc(C)c(C)c1C#N ZINC000052242699 345100788 /nfs/dbraw/zinc/10/07/88/345100788.db2.gz KNQQZEBLJOKNNL-UHFFFAOYSA-N 1 2 281.363 3.083 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1Cl ZINC000068614298 345356999 /nfs/dbraw/zinc/35/69/99/345356999.db2.gz QWQJBIMREFLWDP-QMMMGPOBSA-N 1 2 287.588 3.494 20 30 CGEDLO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(O)c1 ZINC000080920500 345689543 /nfs/dbraw/zinc/68/95/43/345689543.db2.gz MBQOFBTUVLRJHF-UHFFFAOYSA-N 1 2 291.354 3.149 20 30 CGEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(O)c1 ZINC000080920500 345689545 /nfs/dbraw/zinc/68/95/45/345689545.db2.gz MBQOFBTUVLRJHF-UHFFFAOYSA-N 1 2 291.354 3.149 20 30 CGEDLO N#Cc1c(Cl)nsc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000092666274 345850971 /nfs/dbraw/zinc/85/09/71/345850971.db2.gz GSVIXXRNXVVGNE-VIFPVBQESA-N 1 2 293.783 3.123 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1ccc2cc(C#N)ccc2n1 ZINC000092925032 345863297 /nfs/dbraw/zinc/86/32/97/345863297.db2.gz DXPLWCANAUGMTC-UHFFFAOYSA-N 1 2 288.354 3.465 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1c(OC)ccc2ccccc21 ZINC000093099925 345869170 /nfs/dbraw/zinc/86/91/70/345869170.db2.gz NSBQNMDYOVKVDH-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1c(OC)ccc2ccccc21 ZINC000093099925 345869173 /nfs/dbraw/zinc/86/91/73/345869173.db2.gz NSBQNMDYOVKVDH-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000142334020 346111350 /nfs/dbraw/zinc/11/13/50/346111350.db2.gz RJKAVDGYEKGWNI-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(C(C)(C)C)o1)C1CCCC1 ZINC000155793436 346155246 /nfs/dbraw/zinc/15/52/46/346155246.db2.gz KJYZXABAFQZBBF-UHFFFAOYSA-N 1 2 260.381 3.350 20 30 CGEDLO C#CC[N@H+](Cc1ncc(C(C)(C)C)o1)C1CCCC1 ZINC000155793436 346155250 /nfs/dbraw/zinc/15/52/50/346155250.db2.gz KJYZXABAFQZBBF-UHFFFAOYSA-N 1 2 260.381 3.350 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1cccs1 ZINC000171029741 346201375 /nfs/dbraw/zinc/20/13/75/346201375.db2.gz FCPBWICPNBYIPX-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO C=CC[N@H+](Cc1cc(C(=O)OC)co1)Cc1cccs1 ZINC000171029741 346201376 /nfs/dbraw/zinc/20/13/76/346201376.db2.gz FCPBWICPNBYIPX-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](CCC#N)CC3CC3)cnc21 ZINC000176258203 346249282 /nfs/dbraw/zinc/24/92/82/346249282.db2.gz XZBJUAXDYCKXHD-UHFFFAOYSA-N 1 2 297.406 3.138 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](CCC#N)CC3CC3)cnc21 ZINC000176258203 346249284 /nfs/dbraw/zinc/24/92/84/346249284.db2.gz XZBJUAXDYCKXHD-UHFFFAOYSA-N 1 2 297.406 3.138 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000490780796 346627347 /nfs/dbraw/zinc/62/73/47/346627347.db2.gz RFFYBIFLQPKZFF-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000490780796 346627351 /nfs/dbraw/zinc/62/73/51/346627351.db2.gz RFFYBIFLQPKZFF-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119190785 370652489 /nfs/dbraw/zinc/65/24/89/370652489.db2.gz XCXAYHHNWZWVEM-CQSZACIVSA-N 1 2 288.391 3.006 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119190785 370652493 /nfs/dbraw/zinc/65/24/93/370652493.db2.gz XCXAYHHNWZWVEM-CQSZACIVSA-N 1 2 288.391 3.006 20 30 CGEDLO COCc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028434 347139593 /nfs/dbraw/zinc/13/95/93/347139593.db2.gz PZZULKROTRPVTL-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO COCc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028434 347139596 /nfs/dbraw/zinc/13/95/96/347139596.db2.gz PZZULKROTRPVTL-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO Cc1c[nH+]c(CCNc2cc(C#N)ccc2[N+](=O)[O-])c(C)c1 ZINC000594596239 347198713 /nfs/dbraw/zinc/19/87/13/347198713.db2.gz QRJUGJKGXZVUCN-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)co1 ZINC000595297550 347288466 /nfs/dbraw/zinc/28/84/66/347288466.db2.gz WBSYDZZOHBCTDY-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)co1 ZINC000595297550 347288470 /nfs/dbraw/zinc/28/84/70/347288470.db2.gz WBSYDZZOHBCTDY-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO N#C[C@H]1CC[C@H]([NH2+]CC(F)(F)c2cccc(F)c2)C1 ZINC000595057752 347272795 /nfs/dbraw/zinc/27/27/95/347272795.db2.gz DSGWTJOOJKMCHI-GWCFXTLKSA-N 1 2 268.282 3.199 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000595613733 347327505 /nfs/dbraw/zinc/32/75/05/347327505.db2.gz GSIISOSKJZMEEI-QGZVFWFLSA-N 1 2 294.402 3.057 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000595613733 347327508 /nfs/dbraw/zinc/32/75/08/347327508.db2.gz GSIISOSKJZMEEI-QGZVFWFLSA-N 1 2 294.402 3.057 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000595613726 347327814 /nfs/dbraw/zinc/32/78/14/347327814.db2.gz GSIISOSKJZMEEI-KRWDZBQOSA-N 1 2 294.402 3.057 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000595613726 347327817 /nfs/dbraw/zinc/32/78/17/347327817.db2.gz GSIISOSKJZMEEI-KRWDZBQOSA-N 1 2 294.402 3.057 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000595623343 347329683 /nfs/dbraw/zinc/32/96/83/347329683.db2.gz NNZOKUDKNYGQOQ-AWEZNQCLSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000595623343 347329686 /nfs/dbraw/zinc/32/96/86/347329686.db2.gz NNZOKUDKNYGQOQ-AWEZNQCLSA-N 1 2 298.365 3.137 20 30 CGEDLO CC[N@H+](CCCOc1ccc(C)c(C)c1)[C@@H](C)C#N ZINC000595813944 347358759 /nfs/dbraw/zinc/35/87/59/347358759.db2.gz YDOOAOFNCCWRBQ-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1ccc(C)c(C)c1)[C@@H](C)C#N ZINC000595813944 347358761 /nfs/dbraw/zinc/35/87/61/347358761.db2.gz YDOOAOFNCCWRBQ-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000595814738 347358869 /nfs/dbraw/zinc/35/88/69/347358869.db2.gz ILUUYFJOKHKXJG-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C#N)c1F ZINC000595814738 347358871 /nfs/dbraw/zinc/35/88/71/347358871.db2.gz ILUUYFJOKHKXJG-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595843880 347366470 /nfs/dbraw/zinc/36/64/70/347366470.db2.gz DDIUYZDGRLVCSK-ZDUSSCGKSA-N 1 2 294.354 3.219 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595843880 347366473 /nfs/dbraw/zinc/36/64/73/347366473.db2.gz DDIUYZDGRLVCSK-ZDUSSCGKSA-N 1 2 294.354 3.219 20 30 CGEDLO Cc1ccc2c(c1Br)C[N@@H+](CCCC#N)C2 ZINC000595874500 347369177 /nfs/dbraw/zinc/36/91/77/347369177.db2.gz WROYNWSFTOICJO-UHFFFAOYSA-N 1 2 279.181 3.377 20 30 CGEDLO Cc1ccc2c(c1Br)C[N@H+](CCCC#N)C2 ZINC000595874500 347369182 /nfs/dbraw/zinc/36/91/82/347369182.db2.gz WROYNWSFTOICJO-UHFFFAOYSA-N 1 2 279.181 3.377 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000596594681 347485168 /nfs/dbraw/zinc/48/51/68/347485168.db2.gz VUYCDFGKWWDNKV-UHFFFAOYSA-N 1 2 294.402 3.159 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000596594681 347485170 /nfs/dbraw/zinc/48/51/70/347485170.db2.gz VUYCDFGKWWDNKV-UHFFFAOYSA-N 1 2 294.402 3.159 20 30 CGEDLO Cc1c(Br)cncc1C[N@@H+](C)CC(C)(C)C#N ZINC000597134796 347538784 /nfs/dbraw/zinc/53/87/84/347538784.db2.gz CPPGHRFTUBWZPU-UHFFFAOYSA-N 1 2 296.212 3.134 20 30 CGEDLO Cc1c(Br)cncc1C[N@H+](C)CC(C)(C)C#N ZINC000597134796 347538787 /nfs/dbraw/zinc/53/87/87/347538787.db2.gz CPPGHRFTUBWZPU-UHFFFAOYSA-N 1 2 296.212 3.134 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230824 347559211 /nfs/dbraw/zinc/55/92/11/347559211.db2.gz IUUPRGHTMOQDGA-QGZVFWFLSA-N 1 2 298.365 3.055 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230824 347559215 /nfs/dbraw/zinc/55/92/15/347559215.db2.gz IUUPRGHTMOQDGA-QGZVFWFLSA-N 1 2 298.365 3.055 20 30 CGEDLO CCOc1cncc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000598671151 347676900 /nfs/dbraw/zinc/67/69/00/347676900.db2.gz SHFVFJGYZKEVQM-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCOc1cncc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000598671151 347676904 /nfs/dbraw/zinc/67/69/04/347676904.db2.gz SHFVFJGYZKEVQM-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CC(C)(C#N)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599065354 347713363 /nfs/dbraw/zinc/71/33/63/347713363.db2.gz KLOYZLWDZDXRJF-UHFFFAOYSA-N 1 2 270.292 3.105 20 30 CGEDLO Cc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599686377 347765811 /nfs/dbraw/zinc/76/58/11/347765811.db2.gz RRPAWEIORDTWKF-UHFFFAOYSA-N 1 2 283.400 3.076 20 30 CGEDLO Cc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599686377 347765813 /nfs/dbraw/zinc/76/58/13/347765813.db2.gz RRPAWEIORDTWKF-UHFFFAOYSA-N 1 2 283.400 3.076 20 30 CGEDLO C[C@H]([NH2+]CCC#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601969342 347930567 /nfs/dbraw/zinc/93/05/67/347930567.db2.gz QIYJAFQMENNNQN-ZETCQYMHSA-N 1 2 283.162 3.434 20 30 CGEDLO CC(C)C[C@@H](C(=O)Nc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000602037407 347934666 /nfs/dbraw/zinc/93/46/66/347934666.db2.gz AMFRLGXBOOAILY-INIZCTEOSA-N 1 2 296.374 3.175 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1c2c(nn1C)CCCC2 ZINC000602464241 347962103 /nfs/dbraw/zinc/96/21/03/347962103.db2.gz DMJNESOWWOKVER-UHFFFAOYSA-N 1 2 288.439 3.061 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1c2c(nn1C)CCCC2 ZINC000602464241 347962106 /nfs/dbraw/zinc/96/21/06/347962106.db2.gz DMJNESOWWOKVER-UHFFFAOYSA-N 1 2 288.439 3.061 20 30 CGEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(C)c(C)c1 ZINC000602624658 347995976 /nfs/dbraw/zinc/99/59/76/347995976.db2.gz LWMQXHQUVUZMAD-BLLLJJGKSA-N 1 2 288.391 3.047 20 30 CGEDLO COC(=O)[C@H]([NH2+]C[C@H](C)CCC#N)c1cc(C)cc(C)c1 ZINC000602624587 347996028 /nfs/dbraw/zinc/99/60/28/347996028.db2.gz LBBYAZGWLWZIKC-MLGOLLRUSA-N 1 2 288.391 3.047 20 30 CGEDLO C[N@H+](Cc1cc(F)ccc1F)[C@H]1CCC[C@H]1C#N ZINC000602975876 348048666 /nfs/dbraw/zinc/04/86/66/348048666.db2.gz IGRDCVAZDLLUHQ-HZMBPMFUSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)ccc1F)[C@H]1CCC[C@H]1C#N ZINC000602975876 348048667 /nfs/dbraw/zinc/04/86/67/348048667.db2.gz IGRDCVAZDLLUHQ-HZMBPMFUSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977864 348049510 /nfs/dbraw/zinc/04/95/10/348049510.db2.gz ICQOZEPUGMNHLB-HOCLYGCPSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977864 348049512 /nfs/dbraw/zinc/04/95/12/348049512.db2.gz ICQOZEPUGMNHLB-HOCLYGCPSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000603428278 348082751 /nfs/dbraw/zinc/08/27/51/348082751.db2.gz GKWBYEQTBWHUGD-ZANVPECISA-N 1 2 250.292 3.179 20 30 CGEDLO Cc1cccn2cc(CN(CCC#N)CC(C)(C)C)[nH+]c12 ZINC000609540051 348346846 /nfs/dbraw/zinc/34/68/46/348346846.db2.gz LQFLXUNJMUZATN-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000609537564 348346974 /nfs/dbraw/zinc/34/69/74/348346974.db2.gz BCMOCIMMAGFKLR-RHSMWYFYSA-N 1 2 289.398 3.052 20 30 CGEDLO CCc1cc(N[C@@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000610340206 348375671 /nfs/dbraw/zinc/37/56/71/348375671.db2.gz CSPFRIVVEGKCCB-NSHDSACASA-N 1 2 252.321 3.084 20 30 CGEDLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1cccc(C#N)c1 ZINC000611193408 348427584 /nfs/dbraw/zinc/42/75/84/348427584.db2.gz XVNBKNYDVAEFOK-LBPRGKRZSA-N 1 2 276.343 3.040 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000612161882 348497809 /nfs/dbraw/zinc/49/78/09/348497809.db2.gz GNMQKRATFDQADL-KRWDZBQOSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000612161882 348497810 /nfs/dbraw/zinc/49/78/10/348497810.db2.gz GNMQKRATFDQADL-KRWDZBQOSA-N 1 2 283.350 3.500 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166263 348499034 /nfs/dbraw/zinc/49/90/34/348499034.db2.gz RQNCVBAUVMOUST-KRWDZBQOSA-N 1 2 280.375 3.064 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166263 348499037 /nfs/dbraw/zinc/49/90/37/348499037.db2.gz RQNCVBAUVMOUST-KRWDZBQOSA-N 1 2 280.375 3.064 20 30 CGEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000614924317 348700400 /nfs/dbraw/zinc/70/04/00/348700400.db2.gz IDJPMUYBZVYAJO-AWEZNQCLSA-N 1 2 298.308 3.102 20 30 CGEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000614924317 348700405 /nfs/dbraw/zinc/70/04/05/348700405.db2.gz IDJPMUYBZVYAJO-AWEZNQCLSA-N 1 2 298.308 3.102 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000616773442 348877989 /nfs/dbraw/zinc/87/79/89/348877989.db2.gz RDSDHVMHYVEIMG-OAHLLOKOSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000616773442 348877992 /nfs/dbraw/zinc/87/79/92/348877992.db2.gz RDSDHVMHYVEIMG-OAHLLOKOSA-N 1 2 296.773 3.484 20 30 CGEDLO CC/C=C\CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000619197044 349219850 /nfs/dbraw/zinc/21/98/50/349219850.db2.gz RNNTXSODFDFXFU-JGPFYOFESA-N 1 2 262.397 3.270 20 30 CGEDLO CC/C=C\CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000619197044 349219853 /nfs/dbraw/zinc/21/98/53/349219853.db2.gz RNNTXSODFDFXFU-JGPFYOFESA-N 1 2 262.397 3.270 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651103 349404270 /nfs/dbraw/zinc/40/42/70/349404270.db2.gz JOOMHAIAHAKXHT-HNNXBMFYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C1CC(C)(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000630752165 350883224 /nfs/dbraw/zinc/88/32/24/350883224.db2.gz KKQVMRYYWIFIOY-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C=CC1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631114259 350959291 /nfs/dbraw/zinc/95/92/91/350959291.db2.gz AFNPZLFWFOKEQQ-UHFFFAOYSA-N 1 2 268.364 3.238 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@H](C)OC)n1)C1CC1 ZINC000271484232 191165155 /nfs/dbraw/zinc/16/51/55/191165155.db2.gz SWJIQUABWOQHSN-JTQLQIEISA-N 1 2 252.383 3.001 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@H](C)OC)n1)C1CC1 ZINC000271484232 191165157 /nfs/dbraw/zinc/16/51/57/191165157.db2.gz SWJIQUABWOQHSN-JTQLQIEISA-N 1 2 252.383 3.001 20 30 CGEDLO CC(C)n1ccnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271831410 191354375 /nfs/dbraw/zinc/35/43/75/191354375.db2.gz UJGKSWDUHNJPOB-UHFFFAOYSA-N 1 2 280.375 3.115 20 30 CGEDLO Cc1cc(N2CC(Cc3ccc(F)c(F)c3)C2)c(C#N)c[nH+]1 ZINC000425201561 236220616 /nfs/dbraw/zinc/22/06/16/236220616.db2.gz AONKDLHSZRCLCR-UHFFFAOYSA-N 1 2 299.324 3.219 20 30 CGEDLO Cc1ccc(CC[C@H](C)Nc2cc(C)[nH+]cc2C#N)o1 ZINC000425225457 236221150 /nfs/dbraw/zinc/22/11/50/236221150.db2.gz GDHSTYBSQIRSOE-NSHDSACASA-N 1 2 269.348 3.018 20 30 CGEDLO COC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(C)o1 ZINC000428317940 236392875 /nfs/dbraw/zinc/39/28/75/236392875.db2.gz JHJQASHIYGQZJQ-OAHLLOKOSA-N 1 2 288.322 3.076 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000360327856 138601734 /nfs/dbraw/zinc/60/17/34/138601734.db2.gz CITCBJIEHIRFOG-AWEZNQCLSA-N 1 2 292.791 3.096 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c1 ZINC000430039035 236528429 /nfs/dbraw/zinc/52/84/29/236528429.db2.gz YTUSASTUXVXEMS-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO N#Cc1ccccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000181479073 189297737 /nfs/dbraw/zinc/29/77/37/189297737.db2.gz XAIAMPQDXGUJER-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000181479073 189297738 /nfs/dbraw/zinc/29/77/38/189297738.db2.gz XAIAMPQDXGUJER-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000301461587 201018090 /nfs/dbraw/zinc/01/80/90/201018090.db2.gz UPSWPQUYDWPPAN-NSHDSACASA-N 1 2 264.332 3.399 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1c(C#N)cnc2ccccc21 ZINC000301857032 201235869 /nfs/dbraw/zinc/23/58/69/201235869.db2.gz RRQQZABPGDAQNW-UHFFFAOYSA-N 1 2 288.354 3.465 20 30 CGEDLO CN(Cc1ccc(C#N)cc1)c1[nH]c2ccccc2[nH+]1 ZINC000301898296 201253310 /nfs/dbraw/zinc/25/33/10/201253310.db2.gz WPTCQFLRWLTYDZ-UHFFFAOYSA-N 1 2 262.316 3.071 20 30 CGEDLO Cc1cc(NCCCc2[nH+]cccc2C)cc(C#N)n1 ZINC000450726815 240056161 /nfs/dbraw/zinc/05/61/61/240056161.db2.gz WNDBQCQFYZIXNX-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000121106355 370829824 /nfs/dbraw/zinc/82/98/24/370829824.db2.gz IFVOESSAXPYWFP-GFCCVEGCSA-N 1 2 280.331 3.144 20 30 CGEDLO C=CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000121549660 370872853 /nfs/dbraw/zinc/87/28/53/370872853.db2.gz DTHGZZWKHZIQBX-LLVKDONJSA-N 1 2 275.327 3.363 20 30 CGEDLO C=CC[N@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000121549660 370872856 /nfs/dbraw/zinc/87/28/56/370872856.db2.gz DTHGZZWKHZIQBX-LLVKDONJSA-N 1 2 275.327 3.363 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC000127595857 370954037 /nfs/dbraw/zinc/95/40/37/370954037.db2.gz KCWDMOBNQGBLEC-UHFFFAOYSA-N 1 2 276.380 3.218 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC000127595857 370954044 /nfs/dbraw/zinc/95/40/44/370954044.db2.gz KCWDMOBNQGBLEC-UHFFFAOYSA-N 1 2 276.380 3.218 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000127599406 370954177 /nfs/dbraw/zinc/95/41/77/370954177.db2.gz ZGZHQKSVALYHJP-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000127599406 370954185 /nfs/dbraw/zinc/95/41/85/370954185.db2.gz ZGZHQKSVALYHJP-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000127627927 370954729 /nfs/dbraw/zinc/95/47/29/370954729.db2.gz ALWOGFJKKJDYKG-UHFFFAOYSA-N 1 2 268.364 3.121 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000127627927 370954730 /nfs/dbraw/zinc/95/47/30/370954730.db2.gz ALWOGFJKKJDYKG-UHFFFAOYSA-N 1 2 268.364 3.121 20 30 CGEDLO CCc1nnc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000054340513 369501539 /nfs/dbraw/zinc/50/15/39/369501539.db2.gz JLYKYMFCAILYGE-LBPRGKRZSA-N 1 2 284.363 3.087 20 30 CGEDLO CCc1nnc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000054340513 369501544 /nfs/dbraw/zinc/50/15/44/369501544.db2.gz JLYKYMFCAILYGE-LBPRGKRZSA-N 1 2 284.363 3.087 20 30 CGEDLO C=C(Cl)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000066863429 369706833 /nfs/dbraw/zinc/70/68/33/369706833.db2.gz FFTKZCDYNYFMQI-VMPITWQZSA-N 1 2 276.811 3.070 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(Cc2ccccc2)n1 ZINC000069219891 369755130 /nfs/dbraw/zinc/75/51/30/369755130.db2.gz FXKDDHOYAGVSCA-UHFFFAOYSA-N 1 2 271.364 3.058 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(Cc2ccccc2)n1 ZINC000069219891 369755132 /nfs/dbraw/zinc/75/51/32/369755132.db2.gz FXKDDHOYAGVSCA-UHFFFAOYSA-N 1 2 271.364 3.058 20 30 CGEDLO C=CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000077384402 369945946 /nfs/dbraw/zinc/94/59/46/369945946.db2.gz CUJQUCAHMIMCNV-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000077384402 369945950 /nfs/dbraw/zinc/94/59/50/369945950.db2.gz CUJQUCAHMIMCNV-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO Cc1cccc2[nH+]c(CSc3cc(C#N)ccn3)cn21 ZINC000077909411 369948578 /nfs/dbraw/zinc/94/85/78/369948578.db2.gz YMIPFSKFMCEDCB-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CCC#N ZINC000083218330 370003752 /nfs/dbraw/zinc/00/37/52/370003752.db2.gz MVSYZUZOVDRYTL-JTQLQIEISA-N 1 2 272.270 3.492 20 30 CGEDLO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC000083218330 370003755 /nfs/dbraw/zinc/00/37/55/370003755.db2.gz MVSYZUZOVDRYTL-JTQLQIEISA-N 1 2 272.270 3.492 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](C)C#N ZINC000091984147 370085715 /nfs/dbraw/zinc/08/57/15/370085715.db2.gz NLWIGSISYSZPQX-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](C)C#N ZINC000091984147 370085720 /nfs/dbraw/zinc/08/57/20/370085720.db2.gz NLWIGSISYSZPQX-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CCc1ccc2c(C[N@H+](C)[C@H](C)CC#N)cc(=O)oc2c1 ZINC000129624063 370995930 /nfs/dbraw/zinc/99/59/30/370995930.db2.gz AERPURCDSOHSCU-GFCCVEGCSA-N 1 2 284.359 3.089 20 30 CGEDLO CCc1ccc2c(C[N@@H+](C)[C@H](C)CC#N)cc(=O)oc2c1 ZINC000129624063 370995933 /nfs/dbraw/zinc/99/59/33/370995933.db2.gz AERPURCDSOHSCU-GFCCVEGCSA-N 1 2 284.359 3.089 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1Br ZINC000135039796 371385573 /nfs/dbraw/zinc/38/55/73/371385573.db2.gz KJQLPTFXANZLAL-NSHDSACASA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1nsc(NCCCc2cccc(C)[nH+]2)c1C#N ZINC000286613377 371527031 /nfs/dbraw/zinc/52/70/31/371527031.db2.gz QKAMKUPDQIRGBX-UHFFFAOYSA-N 1 2 272.377 3.071 20 30 CGEDLO Cc1cc(C#N)nc(Nc2ccc(NC3CCCC3)[nH+]c2)n1 ZINC000287815812 371710273 /nfs/dbraw/zinc/71/02/73/371710273.db2.gz JZBDPFJWTPSMRK-UHFFFAOYSA-N 1 2 294.362 3.150 20 30 CGEDLO C=CCOc1cccc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000288547646 371739105 /nfs/dbraw/zinc/73/91/05/371739105.db2.gz XIOVODOOFUYRHU-UHFFFAOYSA-N 1 2 298.386 3.408 20 30 CGEDLO Cc1ccc(C[N@H+](C)CCC#N)cc1Br ZINC000157791933 372037913 /nfs/dbraw/zinc/03/79/13/372037913.db2.gz YLUVTQVPCSSDGJ-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1ccc(C[N@@H+](C)CCC#N)cc1Br ZINC000157791933 372037921 /nfs/dbraw/zinc/03/79/21/372037921.db2.gz YLUVTQVPCSSDGJ-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1nc2ccc(C[N@@H+](C)C[C@@H](C)C#N)cc2s1 ZINC000426394699 372155746 /nfs/dbraw/zinc/15/57/46/372155746.db2.gz KMVGLVYVEACYKK-JTQLQIEISA-N 1 2 259.378 3.196 20 30 CGEDLO Cc1nc2ccc(C[N@H+](C)C[C@@H](C)C#N)cc2s1 ZINC000426394699 372155756 /nfs/dbraw/zinc/15/57/56/372155756.db2.gz KMVGLVYVEACYKK-JTQLQIEISA-N 1 2 259.378 3.196 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000426419383 372157769 /nfs/dbraw/zinc/15/77/69/372157769.db2.gz LGRVPKTVGLSVJM-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000426419383 372157775 /nfs/dbraw/zinc/15/77/75/372157775.db2.gz LGRVPKTVGLSVJM-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ncn1 ZINC000428257220 372185565 /nfs/dbraw/zinc/18/55/65/372185565.db2.gz SFGABIZNRYTKOZ-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ncn1 ZINC000428257220 372185568 /nfs/dbraw/zinc/18/55/68/372185568.db2.gz SFGABIZNRYTKOZ-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428446400 372201619 /nfs/dbraw/zinc/20/16/19/372201619.db2.gz KOXLIAGZFHKCHB-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428446400 372201628 /nfs/dbraw/zinc/20/16/28/372201628.db2.gz KOXLIAGZFHKCHB-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO CCN(c1ccccc1)c1cc(NCCCC#N)[nH+]cn1 ZINC000432144216 372540756 /nfs/dbraw/zinc/54/07/56/372540756.db2.gz WGOMVUXPBQXIBU-UHFFFAOYSA-N 1 2 281.363 3.350 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1ncc(Cl)c(C)c1C#N ZINC000295860723 372936992 /nfs/dbraw/zinc/93/69/92/372936992.db2.gz YFJASSUSTQIBSC-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CCC(F)(F)F ZINC000438786400 372970343 /nfs/dbraw/zinc/97/03/43/372970343.db2.gz RVKAZKGWEJYERI-UHFFFAOYSA-N 1 2 259.246 3.061 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)CCC(F)(F)F ZINC000438786400 372970345 /nfs/dbraw/zinc/97/03/45/372970345.db2.gz RVKAZKGWEJYERI-UHFFFAOYSA-N 1 2 259.246 3.061 20 30 CGEDLO CCSCc1cc[nH+]c(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442820595 373096682 /nfs/dbraw/zinc/09/66/82/373096682.db2.gz BZDHMLMDKNEUAF-DGCLKSJQSA-N 1 2 261.394 3.439 20 30 CGEDLO C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2nccn21 ZINC000296672078 373215389 /nfs/dbraw/zinc/21/53/89/373215389.db2.gz FYHUSLQWWZOXLS-IUODEOHRSA-N 1 2 278.359 3.039 20 30 CGEDLO CC1(C)CCC[N@H+](CCc2ccc3c(c2)CCO3)[C@H]1C#N ZINC000444720743 373251552 /nfs/dbraw/zinc/25/15/52/373251552.db2.gz UOMQMWWSTRMVQS-KRWDZBQOSA-N 1 2 284.403 3.178 20 30 CGEDLO CC1(C)CCC[N@@H+](CCc2ccc3c(c2)CCO3)[C@H]1C#N ZINC000444720743 373251556 /nfs/dbraw/zinc/25/15/56/373251556.db2.gz UOMQMWWSTRMVQS-KRWDZBQOSA-N 1 2 284.403 3.178 20 30 CGEDLO C=CCC(C)(C)CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000297334046 373266144 /nfs/dbraw/zinc/26/61/44/373266144.db2.gz MSTZSMAFERRBAJ-ZDUSSCGKSA-N 1 2 290.411 3.249 20 30 CGEDLO N#Cc1ccccc1SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175941485 373539659 /nfs/dbraw/zinc/53/96/59/373539659.db2.gz BOGIHRRCSBMRLZ-UHFFFAOYSA-N 1 2 292.367 3.431 20 30 CGEDLO N#CCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000177265856 373670369 /nfs/dbraw/zinc/67/03/69/373670369.db2.gz SDUQRZLTMSSSIZ-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO N#CCC[N@H+](CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000177265856 373670377 /nfs/dbraw/zinc/67/03/77/373670377.db2.gz SDUQRZLTMSSSIZ-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2cc(C#N)cs2)s1 ZINC000179383832 373865742 /nfs/dbraw/zinc/86/57/42/373865742.db2.gz RRCLQWNUAIRSRS-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000179383832 373865746 /nfs/dbraw/zinc/86/57/46/373865746.db2.gz RRCLQWNUAIRSRS-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO C=CCCC[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302854780 373984706 /nfs/dbraw/zinc/98/47/06/373984706.db2.gz RHICLGZSNQRHMS-ZDUSSCGKSA-N 1 2 292.452 3.187 20 30 CGEDLO C=CCCC[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302854780 373984712 /nfs/dbraw/zinc/98/47/12/373984712.db2.gz RHICLGZSNQRHMS-ZDUSSCGKSA-N 1 2 292.452 3.187 20 30 CGEDLO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000180335831 373990506 /nfs/dbraw/zinc/99/05/06/373990506.db2.gz HNSUEJFYSIYSAI-UHFFFAOYSA-N 1 2 288.354 3.238 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000450463404 374146249 /nfs/dbraw/zinc/14/62/49/374146249.db2.gz OTWRCEQDKQXTKV-QAPCUYQASA-N 1 2 298.386 3.160 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000450463404 374146255 /nfs/dbraw/zinc/14/62/55/374146255.db2.gz OTWRCEQDKQXTKV-QAPCUYQASA-N 1 2 298.386 3.160 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000183837356 374463111 /nfs/dbraw/zinc/46/31/11/374463111.db2.gz SLXYVGMXMQUXGX-SECBINFHSA-N 1 2 263.391 3.121 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000183832774 374463716 /nfs/dbraw/zinc/46/37/16/374463716.db2.gz LJDQMYJWMCIUGD-GFCCVEGCSA-N 1 2 269.323 3.137 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000183829939 374461743 /nfs/dbraw/zinc/46/17/43/374461743.db2.gz SCMZXESNCZBGMY-LBPRGKRZSA-N 1 2 277.799 3.189 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(F)cc2C#N)s1 ZINC000183956554 374478179 /nfs/dbraw/zinc/47/81/79/374478179.db2.gz VISUJNSZTSBWJB-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO COc1cc(OC)c(OC)cc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185750006 374729524 /nfs/dbraw/zinc/72/95/24/374729524.db2.gz RQYBONALEMYBAN-NEPJUHHUSA-N 1 2 290.363 3.207 20 30 CGEDLO C=CC[N@@H+](Cc1ncnn1CC(F)F)CC1CCCCC1 ZINC000487877303 375280183 /nfs/dbraw/zinc/28/01/83/375280183.db2.gz UUVKKUIXBVCIBG-UHFFFAOYSA-N 1 2 298.381 3.112 20 30 CGEDLO C=CC[N@H+](Cc1ncnn1CC(F)F)CC1CCCCC1 ZINC000487877303 375280191 /nfs/dbraw/zinc/28/01/91/375280191.db2.gz UUVKKUIXBVCIBG-UHFFFAOYSA-N 1 2 298.381 3.112 20 30 CGEDLO C=C(C[NH2+][C@@H](CCC)C(=O)OCC)c1ccccc1 ZINC000487914571 375282853 /nfs/dbraw/zinc/28/28/53/375282853.db2.gz KMMVAZDUZAECOE-HNNXBMFYSA-N 1 2 261.365 3.021 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000490780280 375323630 /nfs/dbraw/zinc/32/36/30/375323630.db2.gz IYUPXICBHRCBJZ-UHFFFAOYSA-N 1 2 289.404 3.124 20 30 CGEDLO C#CC[N@H+](CC)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000490780280 375323635 /nfs/dbraw/zinc/32/36/35/375323635.db2.gz IYUPXICBHRCBJZ-UHFFFAOYSA-N 1 2 289.404 3.124 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000491627677 375337582 /nfs/dbraw/zinc/33/75/82/375337582.db2.gz MLXSGKWORANYOD-JTQLQIEISA-N 1 2 260.362 3.165 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000491627677 375337588 /nfs/dbraw/zinc/33/75/88/375337588.db2.gz MLXSGKWORANYOD-JTQLQIEISA-N 1 2 260.362 3.165 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000574628704 335034690 /nfs/dbraw/zinc/03/46/90/335034690.db2.gz WREGJDNNYPCROO-CABCVRRESA-N 1 2 296.374 3.066 20 30 CGEDLO CCN(C)c1ccc(CNc2cccc(C#N)c2C)c[nH+]1 ZINC000191463144 375631035 /nfs/dbraw/zinc/63/10/35/375631035.db2.gz YIYFQPDLONHKAO-UHFFFAOYSA-N 1 2 280.375 3.330 20 30 CGEDLO CC(C)[C@@H]1[N@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336114525 375694317 /nfs/dbraw/zinc/69/43/17/375694317.db2.gz GOEAGLGHQJGEPK-ZDUSSCGKSA-N 1 2 261.394 3.025 20 30 CGEDLO CC(C)[C@@H]1[N@@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336114525 375694324 /nfs/dbraw/zinc/69/43/24/375694324.db2.gz GOEAGLGHQJGEPK-ZDUSSCGKSA-N 1 2 261.394 3.025 20 30 CGEDLO CCc1nc([C@H](C)[NH2+]CC#Cc2ccccc2)cs1 ZINC000192182629 375708541 /nfs/dbraw/zinc/70/85/41/375708541.db2.gz GMSKMYRZUDSSHJ-ZDUSSCGKSA-N 1 2 270.401 3.408 20 30 CGEDLO N#Cc1c(Cl)cccc1SCc1cc[nH+]c(N)c1 ZINC000336166794 375743880 /nfs/dbraw/zinc/74/38/80/375743880.db2.gz NIXNIEVWOXDQKY-UHFFFAOYSA-N 1 2 275.764 3.312 20 30 CGEDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336229302 375762172 /nfs/dbraw/zinc/76/21/72/375762172.db2.gz ZDQIYNGZXBCGNN-BDAKNGLRSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000336229302 375762178 /nfs/dbraw/zinc/76/21/78/375762178.db2.gz ZDQIYNGZXBCGNN-BDAKNGLRSA-N 1 2 289.326 3.178 20 30 CGEDLO Cn1cc[nH+]c1CSc1cccc(Cl)c1C#N ZINC000336520251 375800804 /nfs/dbraw/zinc/80/08/04/375800804.db2.gz WFKRURQNKRMHBT-UHFFFAOYSA-N 1 2 263.753 3.237 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000336568708 375838659 /nfs/dbraw/zinc/83/86/59/375838659.db2.gz SHJDAAMSKJIRSS-HNNXBMFYSA-N 1 2 281.359 3.053 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000535795878 376062790 /nfs/dbraw/zinc/06/27/90/376062790.db2.gz NMCMMORNXDMKNO-UHFFFAOYSA-N 1 2 286.354 3.135 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000535795878 376062799 /nfs/dbraw/zinc/06/27/99/376062799.db2.gz NMCMMORNXDMKNO-UHFFFAOYSA-N 1 2 286.354 3.135 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ccc(F)cc1Cl ZINC000337491493 376223834 /nfs/dbraw/zinc/22/38/34/376223834.db2.gz FPTGHHUATLVVPB-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ccc(F)cc1Cl ZINC000337491493 376223836 /nfs/dbraw/zinc/22/38/36/376223836.db2.gz FPTGHHUATLVVPB-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000540558736 376381519 /nfs/dbraw/zinc/38/15/19/376381519.db2.gz PRPHZKUSKVZDKG-QMTHXVAHSA-N 1 2 256.305 3.157 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000541763857 376477996 /nfs/dbraw/zinc/47/79/96/376477996.db2.gz ZIRVYGBRAXEWNG-NSHDSACASA-N 1 2 258.296 3.335 20 30 CGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC#N)CC1 ZINC000541951418 376496979 /nfs/dbraw/zinc/49/69/79/376496979.db2.gz FZCYELLJGVLHPR-GFCCVEGCSA-N 1 2 296.374 3.022 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC=C(C)CC2)c1C ZINC000339658460 376790577 /nfs/dbraw/zinc/79/05/77/376790577.db2.gz KPLSQWNEQKCOSS-UHFFFAOYSA-N 1 2 272.392 3.126 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC=C(C)CC2)c1C ZINC000339658460 376790582 /nfs/dbraw/zinc/79/05/82/376790582.db2.gz KPLSQWNEQKCOSS-UHFFFAOYSA-N 1 2 272.392 3.126 20 30 CGEDLO CC(C)Cc1ncc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000545219035 376800536 /nfs/dbraw/zinc/80/05/36/376800536.db2.gz LBPNZSOOOWUCQT-UHFFFAOYSA-N 1 2 286.404 3.415 20 30 CGEDLO Cc1cn2cc(NC(=O)NCC(C)(C)CCC#N)ccc2[nH+]1 ZINC000554224357 376849731 /nfs/dbraw/zinc/84/97/31/376849731.db2.gz XUCGPPQYENXARE-UHFFFAOYSA-N 1 2 299.378 3.094 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000555752592 376860101 /nfs/dbraw/zinc/86/01/01/376860101.db2.gz GMSCWOVZKSRAML-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000555752592 376860111 /nfs/dbraw/zinc/86/01/11/376860111.db2.gz GMSCWOVZKSRAML-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Cl ZINC000562383333 377305196 /nfs/dbraw/zinc/30/51/96/377305196.db2.gz MXAKZJGFDLNTAN-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1Cl ZINC000562383333 377305202 /nfs/dbraw/zinc/30/52/02/377305202.db2.gz MXAKZJGFDLNTAN-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000249284432 377486191 /nfs/dbraw/zinc/48/61/91/377486191.db2.gz OTIGPIRBKSAGPF-SUMWQHHRSA-N 1 2 282.343 3.286 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000249284432 377486194 /nfs/dbraw/zinc/48/61/94/377486194.db2.gz OTIGPIRBKSAGPF-SUMWQHHRSA-N 1 2 282.343 3.286 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)(C)C#N ZINC000258994635 377801498 /nfs/dbraw/zinc/80/14/98/377801498.db2.gz XXZWZGBZIQWFFB-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)CC(C)(C)C#N ZINC000258994635 377801511 /nfs/dbraw/zinc/80/15/11/377801511.db2.gz XXZWZGBZIQWFFB-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@H+](Cc1cc(Br)ccc1F)CC1(C#N)CC1 ZINC000258925715 377802144 /nfs/dbraw/zinc/80/21/44/377802144.db2.gz NVTFDVUMWGUSNY-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C[N@@H+](Cc1cc(Br)ccc1F)CC1(C#N)CC1 ZINC000258925715 377802150 /nfs/dbraw/zinc/80/21/50/377802150.db2.gz NVTFDVUMWGUSNY-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO N#Cc1cccc(CCNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000343045465 377887284 /nfs/dbraw/zinc/88/72/84/377887284.db2.gz MGVISRIUPMOWLN-UHFFFAOYSA-N 1 2 291.276 3.049 20 30 CGEDLO C=CCn1c(C)nn(C[NH+]2CCC(C)(CC)CC2)c1=S ZINC000725777418 572400227 /nfs/dbraw/zinc/40/02/27/572400227.db2.gz HMEWPKGSCURTNO-UHFFFAOYSA-N 1 2 294.468 3.378 20 30 CGEDLO CC[N@H+](CCCSCC#N)c1ccc(OC)cc1 ZINC000266714583 378025609 /nfs/dbraw/zinc/02/56/09/378025609.db2.gz KADPHQUHTSGMCZ-UHFFFAOYSA-N 1 2 264.394 3.168 20 30 CGEDLO CC[N@@H+](CCCSCC#N)c1ccc(OC)cc1 ZINC000266714583 378025613 /nfs/dbraw/zinc/02/56/13/378025613.db2.gz KADPHQUHTSGMCZ-UHFFFAOYSA-N 1 2 264.394 3.168 20 30 CGEDLO C[N@H+](Cc1ccoc1)Cc1cn2ccccc2c1C#N ZINC000345090666 378193861 /nfs/dbraw/zinc/19/38/61/378193861.db2.gz KSDPRRYAIXLCRW-UHFFFAOYSA-N 1 2 265.316 3.036 20 30 CGEDLO C[N@@H+](Cc1ccoc1)Cc1cn2ccccc2c1C#N ZINC000345090666 378193862 /nfs/dbraw/zinc/19/38/62/378193862.db2.gz KSDPRRYAIXLCRW-UHFFFAOYSA-N 1 2 265.316 3.036 20 30 CGEDLO N#Cc1ccc(Cl)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269865586 378275539 /nfs/dbraw/zinc/27/55/39/378275539.db2.gz KLCGHNTXTZHAMB-AWEZNQCLSA-N 1 2 298.777 3.297 20 30 CGEDLO C=CCCC(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270083056 378304919 /nfs/dbraw/zinc/30/49/19/378304919.db2.gz JUYNNJCCFDWLDF-HNNXBMFYSA-N 1 2 297.402 3.302 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000271128725 378458409 /nfs/dbraw/zinc/45/84/09/378458409.db2.gz MWQUJAYOMVKEML-SECBINFHSA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000271128725 378458414 /nfs/dbraw/zinc/45/84/14/378458414.db2.gz MWQUJAYOMVKEML-SECBINFHSA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271144743 378462819 /nfs/dbraw/zinc/46/28/19/378462819.db2.gz XOJMARPYJXTXOQ-GFCCVEGCSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271144743 378462823 /nfs/dbraw/zinc/46/28/23/378462823.db2.gz XOJMARPYJXTXOQ-GFCCVEGCSA-N 1 2 299.330 3.446 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000271027954 378431491 /nfs/dbraw/zinc/43/14/91/378431491.db2.gz FANHPYOACWKKJY-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000271027954 378431496 /nfs/dbraw/zinc/43/14/96/378431496.db2.gz FANHPYOACWKKJY-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCO[C@@H](C)C2)c1O ZINC000271447334 378493102 /nfs/dbraw/zinc/49/31/02/378493102.db2.gz UBNBBLIQJUDMCW-VYBPFTPOSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C1CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638033987 378677000 /nfs/dbraw/zinc/67/70/00/378677000.db2.gz YZNIAMBQRUURJT-UHFFFAOYSA-N 1 2 267.756 3.206 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc[nH+]cc1C ZINC000346883949 378696719 /nfs/dbraw/zinc/69/67/19/378696719.db2.gz XLMMJLYKZCMZKQ-UHFFFAOYSA-N 1 2 295.386 3.422 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3ccc(C#N)o3)CCC2)n1 ZINC000266178771 190238044 /nfs/dbraw/zinc/23/80/44/190238044.db2.gz FSLLZHVCPVEWIO-UHFFFAOYSA-N 1 2 273.361 3.085 20 30 CGEDLO COCc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000266188019 190238897 /nfs/dbraw/zinc/23/88/97/190238897.db2.gz HWBGUIXYSGAEMX-LLVKDONJSA-N 1 2 287.388 3.012 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000348287475 378887791 /nfs/dbraw/zinc/88/77/91/378887791.db2.gz UMHYBRZPPHQSIN-NOZJJQNGSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000348287475 378887798 /nfs/dbraw/zinc/88/77/98/378887798.db2.gz UMHYBRZPPHQSIN-NOZJJQNGSA-N 1 2 286.272 3.470 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000277141906 379081351 /nfs/dbraw/zinc/08/13/51/379081351.db2.gz DTPFCAFRLRVNJI-RYUDHWBXSA-N 1 2 283.379 3.041 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277322457 379131099 /nfs/dbraw/zinc/13/10/99/379131099.db2.gz FXDDKEROCDUZLZ-UHFFFAOYSA-N 1 2 256.802 3.383 20 30 CGEDLO CCCn1ncnc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000279458776 379438506 /nfs/dbraw/zinc/43/85/06/379438506.db2.gz MNTKUWOISJJPRN-CQSZACIVSA-N 1 2 297.406 3.143 20 30 CGEDLO CCCn1ncnc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000279458776 379438510 /nfs/dbraw/zinc/43/85/10/379438510.db2.gz MNTKUWOISJJPRN-CQSZACIVSA-N 1 2 297.406 3.143 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375345433 379493709 /nfs/dbraw/zinc/49/37/09/379493709.db2.gz ONGGJNITDFMATA-BBRMVZONSA-N 1 2 296.374 3.038 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375345433 379493717 /nfs/dbraw/zinc/49/37/17/379493717.db2.gz ONGGJNITDFMATA-BBRMVZONSA-N 1 2 296.374 3.038 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000375796228 379512182 /nfs/dbraw/zinc/51/21/82/379512182.db2.gz SMIWDCHXLRTZME-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO C#CCC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000375796228 379512187 /nfs/dbraw/zinc/51/21/87/379512187.db2.gz SMIWDCHXLRTZME-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO CC(C)n1ncnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000279937034 379557733 /nfs/dbraw/zinc/55/77/33/379557733.db2.gz GXEDSIPCLANDRO-UHFFFAOYSA-N 1 2 297.406 3.141 20 30 CGEDLO CC(C)n1ncnc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000279937034 379557739 /nfs/dbraw/zinc/55/77/39/379557739.db2.gz GXEDSIPCLANDRO-UHFFFAOYSA-N 1 2 297.406 3.141 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000639846460 379610326 /nfs/dbraw/zinc/61/03/26/379610326.db2.gz SSWKDQYAGRLCBP-MRXNPFEDSA-N 1 2 297.789 3.319 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000639846460 379610339 /nfs/dbraw/zinc/61/03/39/379610339.db2.gz SSWKDQYAGRLCBP-MRXNPFEDSA-N 1 2 297.789 3.319 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000351755868 379741128 /nfs/dbraw/zinc/74/11/28/379741128.db2.gz JSINLCILFYYCLB-JTQLQIEISA-N 1 2 294.301 3.132 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000351755868 379741139 /nfs/dbraw/zinc/74/11/39/379741139.db2.gz JSINLCILFYYCLB-JTQLQIEISA-N 1 2 294.301 3.132 20 30 CGEDLO CN(C)c1[nH+]cccc1CNc1ccc(Cl)cc1C#N ZINC000352635425 379884721 /nfs/dbraw/zinc/88/47/21/379884721.db2.gz FULGLGYJHCVPHG-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352844837 380000410 /nfs/dbraw/zinc/00/04/10/380000410.db2.gz HAZNYBZDXRZGOO-LLVKDONJSA-N 1 2 287.388 3.183 20 30 CGEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411313734 380139821 /nfs/dbraw/zinc/13/98/21/380139821.db2.gz CASNHGCSYIMIED-AWEZNQCLSA-N 1 2 280.412 3.122 20 30 CGEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411313734 380139827 /nfs/dbraw/zinc/13/98/27/380139827.db2.gz CASNHGCSYIMIED-AWEZNQCLSA-N 1 2 280.412 3.122 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](C)[C@H](C)CC#N)cc2c1 ZINC000411315215 380140057 /nfs/dbraw/zinc/14/00/57/380140057.db2.gz HNMCQFUAZCPDKK-CYBMUJFWSA-N 1 2 253.349 3.277 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](C)[C@H](C)CC#N)cc2c1 ZINC000411315215 380140066 /nfs/dbraw/zinc/14/00/66/380140066.db2.gz HNMCQFUAZCPDKK-CYBMUJFWSA-N 1 2 253.349 3.277 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1c(F)cncc1F ZINC000353205638 380167196 /nfs/dbraw/zinc/16/71/96/380167196.db2.gz VNMDUYNLBITDIF-SECBINFHSA-N 1 2 291.276 3.221 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000353245238 380187323 /nfs/dbraw/zinc/18/73/23/380187323.db2.gz WWARFNRGTZQLRV-AWEZNQCLSA-N 1 2 298.415 3.310 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(CC)nc1)Cc1cccc(C#N)c1 ZINC000414387141 380219796 /nfs/dbraw/zinc/21/97/96/380219796.db2.gz YNFQXBSEEOGHDK-UHFFFAOYSA-N 1 2 292.386 3.099 20 30 CGEDLO C=CC[N@H+](Cc1cnc(CC)nc1)Cc1cccc(C#N)c1 ZINC000414387141 380219800 /nfs/dbraw/zinc/21/98/00/380219800.db2.gz YNFQXBSEEOGHDK-UHFFFAOYSA-N 1 2 292.386 3.099 20 30 CGEDLO Cc1[nH+]cc(CN(C)CC(C)(C)C#N)n1-c1ccccc1 ZINC000354042677 380297127 /nfs/dbraw/zinc/29/71/27/380297127.db2.gz WPHQYCMCELCJFZ-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO C=C[C@@](C)(O)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000354411982 380428017 /nfs/dbraw/zinc/42/80/17/380428017.db2.gz ZHKYKXBJYIVLCW-QGZVFWFLSA-N 1 2 298.342 3.140 20 30 CGEDLO Cc1cnc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000356957734 380956158 /nfs/dbraw/zinc/95/61/58/380956158.db2.gz RAFSUWYPNWLFIT-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000356957734 380956168 /nfs/dbraw/zinc/95/61/68/380956168.db2.gz RAFSUWYPNWLFIT-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO COc1cc(OCc2ccc3[nH]c(C)[nH+]c3c2)ccc1C#N ZINC000436253959 533093696 /nfs/dbraw/zinc/09/36/96/533093696.db2.gz RPTWXIQFCGENPH-UHFFFAOYSA-N 1 2 293.326 3.331 20 30 CGEDLO COc1cc(OCc2ccc3[nH+]c(C)[nH]c3c2)ccc1C#N ZINC000436253959 533093705 /nfs/dbraw/zinc/09/37/05/533093705.db2.gz RPTWXIQFCGENPH-UHFFFAOYSA-N 1 2 293.326 3.331 20 30 CGEDLO CC1(C)CCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329726457 542448865 /nfs/dbraw/zinc/44/88/65/542448865.db2.gz CESAZJFZPLZRGR-GFCCVEGCSA-N 1 2 272.352 3.048 20 30 CGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1Cl ZINC000194075762 262232806 /nfs/dbraw/zinc/23/28/06/262232806.db2.gz GSLDWOSFUBRLHI-RYUDHWBXSA-N 1 2 261.756 3.434 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1c1nc(CCc2[nH+]cccc2C)no1 ZINC000351126463 542540060 /nfs/dbraw/zinc/54/00/60/542540060.db2.gz DNMMWYFVFMAKJW-CZUORRHYSA-N 1 2 299.374 3.007 20 30 CGEDLO CCOc1cccc(C[N@H+](CC#N)C2CCCC2)c1O ZINC000093563233 392239698 /nfs/dbraw/zinc/23/96/98/392239698.db2.gz NJRWYGFHMCSJCC-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO CCOc1cccc(C[N@@H+](CC#N)C2CCCC2)c1O ZINC000093563233 392239702 /nfs/dbraw/zinc/23/97/02/392239702.db2.gz NJRWYGFHMCSJCC-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO CC#CCCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281962957 392263850 /nfs/dbraw/zinc/26/38/50/392263850.db2.gz XVRBHYTXMBVDHZ-OAHLLOKOSA-N 1 2 287.407 3.150 20 30 CGEDLO C[C@H](CC#N)Sc1ccccc1NCc1[nH+]ccn1C ZINC000124440897 392433779 /nfs/dbraw/zinc/43/37/79/392433779.db2.gz HEFDVVNULDIBQU-GFCCVEGCSA-N 1 2 286.404 3.426 20 30 CGEDLO Cc1cccn2cc(-c3ccc(NC(=O)CC#N)cc3)[nH+]c12 ZINC000153599751 392521691 /nfs/dbraw/zinc/52/16/91/392521691.db2.gz GPKOREDDHXNTDV-UHFFFAOYSA-N 1 2 290.326 3.162 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000334454387 392729438 /nfs/dbraw/zinc/72/94/38/392729438.db2.gz MYAPBHHVNDQCOG-ROUUACIJSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000334454387 392729442 /nfs/dbraw/zinc/72/94/42/392729442.db2.gz MYAPBHHVNDQCOG-ROUUACIJSA-N 1 2 296.345 3.005 20 30 CGEDLO C=C1CC[NH+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000334301433 392719301 /nfs/dbraw/zinc/71/93/01/392719301.db2.gz XOOUEWLSSCVODM-UHFFFAOYSA-N 1 2 273.336 3.098 20 30 CGEDLO C=CCOCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000338994823 392939235 /nfs/dbraw/zinc/93/92/35/392939235.db2.gz IQOOLTVAIFHTJZ-XJKSGUPXSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000338994823 392939239 /nfs/dbraw/zinc/93/92/39/392939239.db2.gz IQOOLTVAIFHTJZ-XJKSGUPXSA-N 1 2 295.810 3.304 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000342823839 393009007 /nfs/dbraw/zinc/00/90/07/393009007.db2.gz XSDRKJJCUYSNDP-UHFFFAOYSA-N 1 2 293.436 3.019 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000342856087 393011430 /nfs/dbraw/zinc/01/14/30/393011430.db2.gz BYYWTXLGUSLNBY-CABCVRRESA-N 1 2 284.403 3.027 20 30 CGEDLO C=CCCC[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342938226 393012534 /nfs/dbraw/zinc/01/25/34/393012534.db2.gz KOSQVGZRQYNGBE-ZDUSSCGKSA-N 1 2 260.385 3.234 20 30 CGEDLO C=CCCC[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342938226 393012540 /nfs/dbraw/zinc/01/25/40/393012540.db2.gz KOSQVGZRQYNGBE-ZDUSSCGKSA-N 1 2 260.385 3.234 20 30 CGEDLO N#CCCSCc1[nH+]ccn1Cc1ccccc1 ZINC000413017609 393016271 /nfs/dbraw/zinc/01/62/71/393016271.db2.gz ZJIXDHLFVHOJEM-UHFFFAOYSA-N 1 2 257.362 3.078 20 30 CGEDLO CC1(C#N)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413226645 393021412 /nfs/dbraw/zinc/02/14/12/393021412.db2.gz DTPPRUQWDVKPAZ-UHFFFAOYSA-N 1 2 296.330 3.273 20 30 CGEDLO C=CCOc1ccc(CNc2cc[nH+]c3ccncc23)cc1 ZINC000343223598 393022909 /nfs/dbraw/zinc/02/29/09/393022909.db2.gz QOBWIDNQFVUCTC-UHFFFAOYSA-N 1 2 291.354 3.229 20 30 CGEDLO CCOc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1F ZINC000348713286 393129479 /nfs/dbraw/zinc/12/94/79/393129479.db2.gz WCGKVYWZGWKMIG-UHFFFAOYSA-N 1 2 280.318 3.052 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349368612 393146273 /nfs/dbraw/zinc/14/62/73/393146273.db2.gz KAGDGTCXYSDEIL-OAHLLOKOSA-N 1 2 286.423 3.055 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349368612 393146282 /nfs/dbraw/zinc/14/62/82/393146282.db2.gz KAGDGTCXYSDEIL-OAHLLOKOSA-N 1 2 286.423 3.055 20 30 CGEDLO CCSCc1cc[nH+]c(NCc2nc(C#N)cs2)c1 ZINC000352836319 393211663 /nfs/dbraw/zinc/21/16/63/393211663.db2.gz KCVDFFRBJGSAGC-UHFFFAOYSA-N 1 2 290.417 3.275 20 30 CGEDLO CC[C@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@H](CC)O1 ZINC000420964273 393561594 /nfs/dbraw/zinc/56/15/94/393561594.db2.gz WNXDTHGYHWRLHV-KBPBESRZSA-N 1 2 276.355 3.087 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ncc(C)cn1)c1ccc(F)c(F)c1 ZINC000360616677 393571287 /nfs/dbraw/zinc/57/12/87/393571287.db2.gz CFSVHURBFGUGDC-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000489469459 393599401 /nfs/dbraw/zinc/59/94/01/393599401.db2.gz BPNFTLDUFOSILC-CYBMUJFWSA-N 1 2 276.355 3.113 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000489469459 393599403 /nfs/dbraw/zinc/59/94/03/393599403.db2.gz BPNFTLDUFOSILC-CYBMUJFWSA-N 1 2 276.355 3.113 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000442679657 393738716 /nfs/dbraw/zinc/73/87/16/393738716.db2.gz OIQMNHWBESFLLJ-KRWDZBQOSA-N 1 2 283.375 3.295 20 30 CGEDLO C=CCC1(NC(=O)N[C@H](C)c2[nH+]ccn2C)CCCCC1 ZINC000667248655 542855504 /nfs/dbraw/zinc/85/55/04/542855504.db2.gz CQKHBCCNYTXYIO-CYBMUJFWSA-N 1 2 290.411 3.059 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668164964 542978261 /nfs/dbraw/zinc/97/82/61/542978261.db2.gz HWDNRSJKXPSYKR-UHFFFAOYSA-N 1 2 286.379 3.367 20 30 CGEDLO C=C(CNc1nc(N)c2ccccc2[nH+]1)c1ccccc1 ZINC000673461826 543241835 /nfs/dbraw/zinc/24/18/35/543241835.db2.gz YZZZVQKSPPMQLR-UHFFFAOYSA-N 1 2 276.343 3.337 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000677048004 543427632 /nfs/dbraw/zinc/42/76/32/543427632.db2.gz NATKHTUFCACXCS-LBPRGKRZSA-N 1 2 262.422 3.256 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000677048004 543427635 /nfs/dbraw/zinc/42/76/35/543427635.db2.gz NATKHTUFCACXCS-LBPRGKRZSA-N 1 2 262.422 3.256 20 30 CGEDLO COCC#CC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000677133200 543435604 /nfs/dbraw/zinc/43/56/04/543435604.db2.gz MOSMYZFMMZHOTG-UHFFFAOYSA-N 1 2 293.357 3.359 20 30 CGEDLO COCC#CC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000677133200 543435607 /nfs/dbraw/zinc/43/56/07/543435607.db2.gz MOSMYZFMMZHOTG-UHFFFAOYSA-N 1 2 293.357 3.359 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)C1CC1 ZINC000678537212 543534197 /nfs/dbraw/zinc/53/41/97/543534197.db2.gz QJRCQAUWUQKWJR-UHFFFAOYSA-N 1 2 271.339 3.162 20 30 CGEDLO C=CC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)C1CC1 ZINC000678537212 543534199 /nfs/dbraw/zinc/53/41/99/543534199.db2.gz QJRCQAUWUQKWJR-UHFFFAOYSA-N 1 2 271.339 3.162 20 30 CGEDLO N#Cc1cccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000074829765 165094048 /nfs/dbraw/zinc/09/40/48/165094048.db2.gz KYGAYBQHXVXNSZ-UHFFFAOYSA-N 1 2 288.310 3.201 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000075732290 165100696 /nfs/dbraw/zinc/10/06/96/165100696.db2.gz MLXNZKJMIMLWTE-LLVKDONJSA-N 1 2 284.363 3.090 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](c2ccccc2)O1 ZINC000092486305 165298953 /nfs/dbraw/zinc/29/89/53/165298953.db2.gz LOQLDOZKNDZDNO-SUMWQHHRSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](c2ccccc2)O1 ZINC000092486305 165298954 /nfs/dbraw/zinc/29/89/54/165298954.db2.gz LOQLDOZKNDZDNO-SUMWQHHRSA-N 1 2 282.343 3.113 20 30 CGEDLO CC[N@@H+](Cc1ccc(Br)s1)C[C@@H](C)C#N ZINC000044296866 175161492 /nfs/dbraw/zinc/16/14/92/175161492.db2.gz UEKXDEGROIGRGK-VIFPVBQESA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@H+](Cc1ccc(Br)s1)C[C@@H](C)C#N ZINC000044296866 175161493 /nfs/dbraw/zinc/16/14/93/175161493.db2.gz UEKXDEGROIGRGK-VIFPVBQESA-N 1 2 287.226 3.492 20 30 CGEDLO C=CCOCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000679576792 543648830 /nfs/dbraw/zinc/64/88/30/543648830.db2.gz ULXVQZNTYNJRMR-AWEZNQCLSA-N 1 2 269.335 3.045 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664986499 419034814 /nfs/dbraw/zinc/03/48/14/419034814.db2.gz ZAVXRBXVVBQUMO-GFCCVEGCSA-N 1 2 257.337 3.434 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)nn1 ZINC000653497122 419038781 /nfs/dbraw/zinc/03/87/81/419038781.db2.gz RPIYSLHPBREVKC-OAHLLOKOSA-N 1 2 284.407 3.356 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)nn1 ZINC000653497122 419038785 /nfs/dbraw/zinc/03/87/85/419038785.db2.gz RPIYSLHPBREVKC-OAHLLOKOSA-N 1 2 284.407 3.356 20 30 CGEDLO C=C(C)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653835987 419094199 /nfs/dbraw/zinc/09/41/99/419094199.db2.gz RZKNNGLWCLERPL-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=C(C)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653835987 419094201 /nfs/dbraw/zinc/09/42/01/419094201.db2.gz RZKNNGLWCLERPL-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@@H](c2ncccc2C)C(C)C)nn1 ZINC000653580461 419053705 /nfs/dbraw/zinc/05/37/05/419053705.db2.gz QVWSMNHYEVFTIB-MRXNPFEDSA-N 1 2 299.422 3.045 20 30 CGEDLO C=CC[N@H+](Cc1ccn(C2CCCC2)n1)[C@@H](C)COC ZINC000661244234 419244464 /nfs/dbraw/zinc/24/44/64/419244464.db2.gz RXYGJVNDBGXYHV-AWEZNQCLSA-N 1 2 277.412 3.021 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(C2CCCC2)n1)[C@@H](C)COC ZINC000661244234 419244466 /nfs/dbraw/zinc/24/44/66/419244466.db2.gz RXYGJVNDBGXYHV-AWEZNQCLSA-N 1 2 277.412 3.021 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000331741488 228122828 /nfs/dbraw/zinc/12/28/28/228122828.db2.gz AVBBRQJSAJLXEZ-QWRGUYRKSA-N 1 2 290.317 3.213 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000352051015 228176948 /nfs/dbraw/zinc/17/69/48/228176948.db2.gz XVWYSCNVDUKFOB-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000352051015 228176949 /nfs/dbraw/zinc/17/69/49/228176949.db2.gz XVWYSCNVDUKFOB-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO C=C[C@@H]1CCCCN1c1[nH+]ccc2c(N)cccc21 ZINC000663852615 419738955 /nfs/dbraw/zinc/73/89/55/419738955.db2.gz XUIJQPFIWITGDR-GFCCVEGCSA-N 1 2 253.349 3.362 20 30 CGEDLO C=CC[C@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000664253237 419867996 /nfs/dbraw/zinc/86/79/96/419867996.db2.gz KXLDOOWZRCPGLO-LBPRGKRZSA-N 1 2 256.353 3.059 20 30 CGEDLO C=CCCCCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000517245044 260130119 /nfs/dbraw/zinc/13/01/19/260130119.db2.gz PYMVPSDXFNIBKK-UHFFFAOYSA-N 1 2 285.391 3.358 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000054183415 260216984 /nfs/dbraw/zinc/21/69/84/260216984.db2.gz VNZCNSFKVGFFET-JTQLQIEISA-N 1 2 267.716 3.030 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000248872451 261207544 /nfs/dbraw/zinc/20/75/44/261207544.db2.gz IEJBVEKUVJMOJA-GZBFAFLISA-N 1 2 296.374 3.470 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C[C@@H](C)C#N ZINC000195435218 262362703 /nfs/dbraw/zinc/36/27/03/262362703.db2.gz LYABGMJUBOSZCP-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C[C@@H](C)C#N ZINC000195435218 262362704 /nfs/dbraw/zinc/36/27/04/262362704.db2.gz LYABGMJUBOSZCP-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000271368208 262996135 /nfs/dbraw/zinc/99/61/35/262996135.db2.gz ZUBAEMVAUSGJPS-HSSLNXBLSA-N 1 2 277.364 3.023 20 30 CGEDLO CC(C)C[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271955697 263000610 /nfs/dbraw/zinc/00/06/10/263000610.db2.gz SFBUEDJAXCOKEK-DSWHRGLISA-N 1 2 261.365 3.405 20 30 CGEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000272517460 263005607 /nfs/dbraw/zinc/00/56/07/263005607.db2.gz GYVYHOAMNAAWKO-CYBMUJFWSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000276303276 263035987 /nfs/dbraw/zinc/03/59/87/263035987.db2.gz KJOSYSBDTKGVAD-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000276303276 263035988 /nfs/dbraw/zinc/03/59/88/263035988.db2.gz KJOSYSBDTKGVAD-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000284979437 263089042 /nfs/dbraw/zinc/08/90/42/263089042.db2.gz KMHUHDZQRHJXLG-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO C=C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000285077008 263089988 /nfs/dbraw/zinc/08/99/88/263089988.db2.gz PLNJXSSIKWWAAC-UHFFFAOYSA-N 1 2 254.333 3.494 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000292341088 263131332 /nfs/dbraw/zinc/13/13/32/263131332.db2.gz WZJUBEZSDXDHBX-UHFFFAOYSA-N 1 2 266.291 3.190 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000292341088 263131333 /nfs/dbraw/zinc/13/13/33/263131333.db2.gz WZJUBEZSDXDHBX-UHFFFAOYSA-N 1 2 266.291 3.190 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000292756110 263134722 /nfs/dbraw/zinc/13/47/22/263134722.db2.gz JBCMGLJJYDXSIP-UHFFFAOYSA-N 1 2 280.375 3.287 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000292756110 263134723 /nfs/dbraw/zinc/13/47/23/263134723.db2.gz JBCMGLJJYDXSIP-UHFFFAOYSA-N 1 2 280.375 3.287 20 30 CGEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)cc(Cl)c1O ZINC000297582396 263206533 /nfs/dbraw/zinc/20/65/33/263206533.db2.gz DPQIQVHCMRSEBR-SNVBAGLBSA-N 1 2 282.771 3.178 20 30 CGEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(Cl)c1O ZINC000297582396 263206535 /nfs/dbraw/zinc/20/65/35/263206535.db2.gz DPQIQVHCMRSEBR-SNVBAGLBSA-N 1 2 282.771 3.178 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990667 263382286 /nfs/dbraw/zinc/38/22/86/263382286.db2.gz NSOOMBHHJYMZRH-CVEARBPZSA-N 1 2 299.336 3.162 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990667 263382287 /nfs/dbraw/zinc/38/22/87/263382287.db2.gz NSOOMBHHJYMZRH-CVEARBPZSA-N 1 2 299.336 3.162 20 30 CGEDLO CCC[C@H](CC)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330509150 263955752 /nfs/dbraw/zinc/95/57/52/263955752.db2.gz AJFSNPNYUSEDAD-STQMWFEESA-N 1 2 278.400 3.082 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000330776661 264035229 /nfs/dbraw/zinc/03/52/29/264035229.db2.gz JGJBVZLNFNPRAY-UHFFFAOYSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330871443 264059351 /nfs/dbraw/zinc/05/93/51/264059351.db2.gz ZUVJUPZKTCWOSG-SQWLQELKSA-N 1 2 299.418 3.419 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330855072 264069602 /nfs/dbraw/zinc/06/96/02/264069602.db2.gz RVENUKAYXNZODN-HOCLYGCPSA-N 1 2 299.418 3.339 20 30 CGEDLO CCC(CC)n1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000331357456 264207979 /nfs/dbraw/zinc/20/79/79/264207979.db2.gz TYQNIUXNADZLNS-DOMZBBRYSA-N 1 2 260.385 3.026 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000293158664 264910595 /nfs/dbraw/zinc/91/05/95/264910595.db2.gz ORPXANBJWLDCNP-UHFFFAOYSA-N 1 2 293.164 3.045 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000293158664 264910597 /nfs/dbraw/zinc/91/05/97/264910597.db2.gz ORPXANBJWLDCNP-UHFFFAOYSA-N 1 2 293.164 3.045 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000518965283 265253339 /nfs/dbraw/zinc/25/33/39/265253339.db2.gz MSLHENAUSUCMGE-BXKDBHETSA-N 1 2 293.292 3.124 20 30 CGEDLO C=C[C@H]1CCCCN1c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000362843235 267054331 /nfs/dbraw/zinc/05/43/31/267054331.db2.gz OQUUZYHWMFNEOK-HNNXBMFYSA-N 1 2 280.375 3.392 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)no1 ZINC000370002918 267283316 /nfs/dbraw/zinc/28/33/16/267283316.db2.gz UVBUERNERHZHBB-ZDUSSCGKSA-N 1 2 290.411 3.489 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)no1 ZINC000370002918 267283321 /nfs/dbraw/zinc/28/33/21/267283321.db2.gz UVBUERNERHZHBB-ZDUSSCGKSA-N 1 2 290.411 3.489 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH2+]CC3(C#N)CCC3)sc2C1 ZINC000418137332 267371974 /nfs/dbraw/zinc/37/19/74/267371974.db2.gz DRBLEQHBIZHUFB-LLVKDONJSA-N 1 2 275.421 3.051 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)no1 ZINC000377015271 268039867 /nfs/dbraw/zinc/03/98/67/268039867.db2.gz QLUWSGNIPDFZFO-QGZVFWFLSA-N 1 2 266.344 3.172 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)no1 ZINC000377015271 268039871 /nfs/dbraw/zinc/03/98/71/268039871.db2.gz QLUWSGNIPDFZFO-QGZVFWFLSA-N 1 2 266.344 3.172 20 30 CGEDLO CCOc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000123441931 268053527 /nfs/dbraw/zinc/05/35/27/268053527.db2.gz WANRETHCIHFFKP-UHFFFAOYSA-N 1 2 258.365 3.353 20 30 CGEDLO CCOc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000123441931 268053530 /nfs/dbraw/zinc/05/35/30/268053530.db2.gz WANRETHCIHFFKP-UHFFFAOYSA-N 1 2 258.365 3.353 20 30 CGEDLO CC1(C#N)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000336429061 276096776 /nfs/dbraw/zinc/09/67/76/276096776.db2.gz ZYEBOOZXVCZGBU-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@@]3(C#N)CC34CCCC4)ccc2[nH+]1 ZINC000333054730 281561895 /nfs/dbraw/zinc/56/18/95/281561895.db2.gz AEFSUVVHUDNGHU-KRWDZBQOSA-N 1 2 294.358 3.055 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000334915719 303089054 /nfs/dbraw/zinc/08/90/54/303089054.db2.gz ZTSOPHAUJQYWHM-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000334915719 303089057 /nfs/dbraw/zinc/08/90/57/303089057.db2.gz ZTSOPHAUJQYWHM-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cc1ccc(CNc2ccc(F)c(C#N)c2)c(C)[nH+]1 ZINC000184439453 327828178 /nfs/dbraw/zinc/82/81/78/327828178.db2.gz IKFDUPDRJUMWJD-UHFFFAOYSA-N 1 2 255.296 3.321 20 30 CGEDLO C=CCCOCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413210768 328142477 /nfs/dbraw/zinc/14/24/77/328142477.db2.gz PEDKHBQWBKEGAC-UHFFFAOYSA-N 1 2 287.319 3.148 20 30 CGEDLO N#CC[N@@H+](CCCC(=O)c1ccccc1)C1CCCC1 ZINC000295089573 328285111 /nfs/dbraw/zinc/28/51/11/328285111.db2.gz SAIORKCPXOUQSS-UHFFFAOYSA-N 1 2 270.376 3.418 20 30 CGEDLO N#CC[N@H+](CCCC(=O)c1ccccc1)C1CCCC1 ZINC000295089573 328285112 /nfs/dbraw/zinc/28/51/12/328285112.db2.gz SAIORKCPXOUQSS-UHFFFAOYSA-N 1 2 270.376 3.418 20 30 CGEDLO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cc[nH+]1 ZINC000159631605 321837828 /nfs/dbraw/zinc/83/78/28/321837828.db2.gz AHWGQUSDXJAEEX-UHFFFAOYSA-N 1 2 271.707 3.167 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571926312 322312287 /nfs/dbraw/zinc/31/22/87/322312287.db2.gz NYNCXXTUPMVNAE-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571926312 322312289 /nfs/dbraw/zinc/31/22/89/322312289.db2.gz NYNCXXTUPMVNAE-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO COc1cc2c(c(C[N@H+](CCC#N)C(C)C)c1)O[C@@H](C)C2 ZINC000535072680 328384132 /nfs/dbraw/zinc/38/41/32/328384132.db2.gz MNCIVKLFBXUQDO-ZDUSSCGKSA-N 1 2 288.391 3.143 20 30 CGEDLO COc1cc2c(c(C[N@@H+](CCC#N)C(C)C)c1)O[C@@H](C)C2 ZINC000535072680 328384133 /nfs/dbraw/zinc/38/41/33/328384133.db2.gz MNCIVKLFBXUQDO-ZDUSSCGKSA-N 1 2 288.391 3.143 20 30 CGEDLO C=CCC(C)(C)c1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000560029996 327278920 /nfs/dbraw/zinc/27/89/20/327278920.db2.gz ZUJJDODCERPHPA-UHFFFAOYSA-N 1 2 296.374 3.470 20 30 CGEDLO COc1ccc(-n2cc(C[N@H+](CCC#N)C(C)C)cn2)cc1 ZINC000560102002 327284595 /nfs/dbraw/zinc/28/45/95/327284595.db2.gz LFPJXKRNOIZZBR-UHFFFAOYSA-N 1 2 298.390 3.005 20 30 CGEDLO COc1ccc(-n2cc(C[N@@H+](CCC#N)C(C)C)cn2)cc1 ZINC000560102002 327284597 /nfs/dbraw/zinc/28/45/97/327284597.db2.gz LFPJXKRNOIZZBR-UHFFFAOYSA-N 1 2 298.390 3.005 20 30 CGEDLO CC1(C/[NH+]=C/c2c(O)ccc3ccccc32)COC1 ZINC000112561692 327286823 /nfs/dbraw/zinc/28/68/23/327286823.db2.gz ZJTPQEHWOCYJDO-CAOOACKPSA-N 1 2 255.317 3.001 20 30 CGEDLO C=CC[C@@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000561267256 327381063 /nfs/dbraw/zinc/38/10/63/327381063.db2.gz ARKYYCCTYPFNOT-JTQLQIEISA-N 1 2 262.740 3.237 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(F)c1Br ZINC000294173036 327464759 /nfs/dbraw/zinc/46/47/59/327464759.db2.gz CQNRWBJPLPMRAP-SNVBAGLBSA-N 1 2 285.160 3.370 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000582702741 329126627 /nfs/dbraw/zinc/12/66/27/329126627.db2.gz CMYNOXCMDBZHMD-UHFFFAOYSA-N 1 2 252.317 3.340 20 30 CGEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)CC[C@H]1C(F)(F)F ZINC000190169902 329392765 /nfs/dbraw/zinc/39/27/65/329392765.db2.gz NRDRDRLVICDUJO-NWDGAFQWSA-N 1 2 287.329 3.340 20 30 CGEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)CC[C@H]1C(F)(F)F ZINC000190169902 329392767 /nfs/dbraw/zinc/39/27/67/329392767.db2.gz NRDRDRLVICDUJO-NWDGAFQWSA-N 1 2 287.329 3.340 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527510434 330255244 /nfs/dbraw/zinc/25/52/44/330255244.db2.gz PVBOSEGUOAFDRX-HUUCEWRRSA-N 1 2 258.340 3.260 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000527510434 330255245 /nfs/dbraw/zinc/25/52/45/330255245.db2.gz PVBOSEGUOAFDRX-HUUCEWRRSA-N 1 2 258.340 3.260 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc3ccc(C)cc3o2)nn1 ZINC000424298014 330336485 /nfs/dbraw/zinc/33/64/85/330336485.db2.gz RSGASYRURGQSKG-ZDUSSCGKSA-N 1 2 296.374 3.370 20 30 CGEDLO N#CC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000057907592 330381055 /nfs/dbraw/zinc/38/10/55/330381055.db2.gz XQUQZROZDHTPQR-UHFFFAOYSA-N 1 2 293.370 3.014 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](CC)C(F)F)cc1 ZINC000449356499 330918340 /nfs/dbraw/zinc/91/83/40/330918340.db2.gz AARPYRDCZJDZBJ-ZDUSSCGKSA-N 1 2 255.308 3.385 20 30 CGEDLO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)OCC ZINC000449654734 330942239 /nfs/dbraw/zinc/94/22/39/330942239.db2.gz FMCLUMWCQMMCQF-ZACQAIPSSA-N 1 2 287.403 3.278 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450858268 331003241 /nfs/dbraw/zinc/00/32/41/331003241.db2.gz LFMXIQNXLMRBSL-PVAVHDDUSA-N 1 2 286.419 3.165 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450858268 331003242 /nfs/dbraw/zinc/00/32/42/331003242.db2.gz LFMXIQNXLMRBSL-PVAVHDDUSA-N 1 2 286.419 3.165 20 30 CGEDLO C=CCn1c2ccccc2nc1SCc1cc[nH+]c(N)c1 ZINC000195499938 331175470 /nfs/dbraw/zinc/17/54/70/331175470.db2.gz BEBDKFOWIRAJBY-UHFFFAOYSA-N 1 2 296.399 3.492 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000489474653 332055039 /nfs/dbraw/zinc/05/50/39/332055039.db2.gz KXKNQVMIGWOFHG-NSHDSACASA-N 1 2 252.339 3.197 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000489474653 332055041 /nfs/dbraw/zinc/05/50/41/332055041.db2.gz KXKNQVMIGWOFHG-NSHDSACASA-N 1 2 252.339 3.197 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000489987649 332075627 /nfs/dbraw/zinc/07/56/27/332075627.db2.gz AFJGJMLZFLKDHI-UHFFFAOYSA-N 1 2 292.342 3.317 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000491393429 332203178 /nfs/dbraw/zinc/20/31/78/332203178.db2.gz HOVXUMQINJAGNE-RDJZCZTQSA-N 1 2 296.414 3.041 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000491393429 332203179 /nfs/dbraw/zinc/20/31/79/332203179.db2.gz HOVXUMQINJAGNE-RDJZCZTQSA-N 1 2 296.414 3.041 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(C2CC2)nc1 ZINC000491441061 332212204 /nfs/dbraw/zinc/21/22/04/332212204.db2.gz TTWMPEOFXIPNTB-UHFFFAOYSA-N 1 2 295.361 3.129 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cnc(C2CC2)nc1 ZINC000491441061 332212205 /nfs/dbraw/zinc/21/22/05/332212205.db2.gz TTWMPEOFXIPNTB-UHFFFAOYSA-N 1 2 295.361 3.129 20 30 CGEDLO C#CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC000491628105 332251478 /nfs/dbraw/zinc/25/14/78/332251478.db2.gz KQUVAHAOZJXSIN-UHFFFAOYSA-N 1 2 285.391 3.417 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(C)nc1)c1ccc(Cl)cc1F ZINC000491694584 332290664 /nfs/dbraw/zinc/29/06/64/332290664.db2.gz GGJPEWIBMOJQEZ-HNNXBMFYSA-N 1 2 289.741 3.042 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190186717 333204203 /nfs/dbraw/zinc/20/42/03/333204203.db2.gz YXSCAOKXMVKMJC-UHFFFAOYSA-N 1 2 289.329 3.325 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000227353735 333281534 /nfs/dbraw/zinc/28/15/34/333281534.db2.gz QDFSWCMBDBSQSA-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000066215728 333616632 /nfs/dbraw/zinc/61/66/32/333616632.db2.gz JXVRTUSKLIBSES-UHFFFAOYSA-N 1 2 282.746 3.092 20 30 CGEDLO CC#CCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551709329 334258619 /nfs/dbraw/zinc/25/86/19/334258619.db2.gz HTKZBLGHDNCRKR-OAHLLOKOSA-N 1 2 267.294 3.249 20 30 CGEDLO CC#CCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551709329 334258620 /nfs/dbraw/zinc/25/86/20/334258620.db2.gz HTKZBLGHDNCRKR-OAHLLOKOSA-N 1 2 267.294 3.249 20 30 CGEDLO CCc1nc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cs1 ZINC000177699443 335379765 /nfs/dbraw/zinc/37/97/65/335379765.db2.gz LYZPWRHIAZLXJD-SECBINFHSA-N 1 2 277.418 3.489 20 30 CGEDLO Cc1[nH+]cccc1Cc1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000351241112 335586499 /nfs/dbraw/zinc/58/64/99/335586499.db2.gz YCHXZYPWTLAZGC-KRWDZBQOSA-N 1 2 294.358 3.089 20 30 CGEDLO C[C@H]([NH2+]CCC(C)(C)C#N)c1noc(Cc2ccccc2)n1 ZINC000347153674 533840480 /nfs/dbraw/zinc/84/04/80/533840480.db2.gz AXDCHEKCXIGNKG-ZDUSSCGKSA-N 1 2 298.390 3.251 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425529166 534080642 /nfs/dbraw/zinc/08/06/42/534080642.db2.gz ATOJTPGHSPASQU-VIFPVBQESA-N 1 2 292.289 3.072 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425529166 534080652 /nfs/dbraw/zinc/08/06/52/534080652.db2.gz ATOJTPGHSPASQU-VIFPVBQESA-N 1 2 292.289 3.072 20 30 CGEDLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(F)c1C#N ZINC000450823792 536124312 /nfs/dbraw/zinc/12/43/12/536124312.db2.gz CFWMPQKJWVIKHN-JTQLQIEISA-N 1 2 258.300 3.087 20 30 CGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2CC(C)(C)C2)CCO1 ZINC000329128755 534813277 /nfs/dbraw/zinc/81/32/77/534813277.db2.gz ZRVQSJXNPURHBO-OCCSQVGLSA-N 1 2 291.395 3.033 20 30 CGEDLO C=CCN(CCc1ccco1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000352085366 526328858 /nfs/dbraw/zinc/32/88/58/526328858.db2.gz ZTTMIJDKAQFULD-UHFFFAOYSA-N 1 2 282.347 3.094 20 30 CGEDLO N#Cc1cccc(C[NH2+]CC(F)(F)c2ccccc2)c1 ZINC000227899516 526708461 /nfs/dbraw/zinc/70/84/61/526708461.db2.gz CZVMLLFCJHKOEE-UHFFFAOYSA-N 1 2 272.298 3.440 20 30 CGEDLO C=CCOc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000352135001 526850170 /nfs/dbraw/zinc/85/01/70/526850170.db2.gz MPSORYUXWAEMOY-OAHLLOKOSA-N 1 2 299.374 3.102 20 30 CGEDLO C=C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000353318971 526904294 /nfs/dbraw/zinc/90/42/94/526904294.db2.gz APKCTJYNRIVJEN-UHFFFAOYSA-N 1 2 298.289 3.348 20 30 CGEDLO C=C1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000347984107 526907662 /nfs/dbraw/zinc/90/76/62/526907662.db2.gz WFCJUNAAQUIILL-OAHLLOKOSA-N 1 2 290.794 3.097 20 30 CGEDLO C=CC1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000353499593 526962860 /nfs/dbraw/zinc/96/28/60/526962860.db2.gz FXMGNAOGRWMCIU-UHFFFAOYSA-N 1 2 297.402 3.159 20 30 CGEDLO C=CCCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356041142 527213427 /nfs/dbraw/zinc/21/34/27/527213427.db2.gz PRSJFPXKFJLEAZ-UHFFFAOYSA-N 1 2 297.402 3.386 20 30 CGEDLO CCS[C@@H]1CCCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425224424 529207027 /nfs/dbraw/zinc/20/70/27/529207027.db2.gz JKJQLVNWJPUVAM-CQSZACIVSA-N 1 2 275.421 3.374 20 30 CGEDLO CC(C)(C)c1n[nH]cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148585 571951729 /nfs/dbraw/zinc/95/17/29/571951729.db2.gz YFDLTOCEBCSEAN-UHFFFAOYSA-N 1 2 293.374 3.123 20 30 CGEDLO C[C@H]1CC(/[NH+]=C\c2ccc(O)c(O)c2O)C[C@H](C)C1 ZINC000739426509 572405796 /nfs/dbraw/zinc/40/57/96/572405796.db2.gz MTWNFGHKCIFTFF-YKDPKYFUSA-N 1 2 263.337 3.047 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740859635 572461791 /nfs/dbraw/zinc/46/17/91/572461791.db2.gz MEXBNYYJMIPNEN-NEPJUHHUSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740859635 572461795 /nfs/dbraw/zinc/46/17/95/572461795.db2.gz MEXBNYYJMIPNEN-NEPJUHHUSA-N 1 2 292.452 3.165 20 30 CGEDLO Cc1cccc([C@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)c1 ZINC000741166325 572486820 /nfs/dbraw/zinc/48/68/20/572486820.db2.gz ZWGRWHWUQAEMGE-BUESGFEBSA-N 1 2 298.386 3.119 20 30 CGEDLO C#CCCCNc1nc(NCCCC#C)c2ccccc2[nH+]1 ZINC000742423101 572580758 /nfs/dbraw/zinc/58/07/58/572580758.db2.gz XCSMGIPJKQWJBC-UHFFFAOYSA-N 1 2 292.386 3.280 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2c[nH]c3ccc(F)cc23)c1O ZINC000734979767 572694532 /nfs/dbraw/zinc/69/45/32/572694532.db2.gz UNQPAOMPMJIDMZ-OCKHKDLRSA-N 1 2 298.317 3.380 20 30 CGEDLO C[N@H+](Cc1ccoc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308909 572714133 /nfs/dbraw/zinc/71/41/33/572714133.db2.gz YBNNMJIMIAXFRW-UHFFFAOYSA-N 1 2 290.750 3.467 20 30 CGEDLO C[N@@H+](Cc1ccoc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308909 572714136 /nfs/dbraw/zinc/71/41/36/572714136.db2.gz YBNNMJIMIAXFRW-UHFFFAOYSA-N 1 2 290.750 3.467 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000735620159 572735298 /nfs/dbraw/zinc/73/52/98/572735298.db2.gz VNQKHJXVZXDMTM-POYIMTGYSA-N 1 2 291.391 3.358 20 30 CGEDLO Cc1nc(C)c(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000736430938 572791512 /nfs/dbraw/zinc/79/15/12/572791512.db2.gz OEJRNYFNIJDJBE-UHFFFAOYSA-N 1 2 282.372 3.176 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)c2ccncc2)c1 ZINC000749845553 573047847 /nfs/dbraw/zinc/04/78/47/573047847.db2.gz SDZFHLFYYMLBLP-HWQJWEFDSA-N 1 2 270.332 3.018 20 30 CGEDLO C=CCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750499673 573141778 /nfs/dbraw/zinc/14/17/78/573141778.db2.gz GJCMIXYTXKWOJU-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=CCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750499673 573141781 /nfs/dbraw/zinc/14/17/81/573141781.db2.gz GJCMIXYTXKWOJU-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3occc3c2)C1 ZINC000950389305 613296344 /nfs/dbraw/zinc/29/63/44/613296344.db2.gz QJFMRMKYBHRTDS-UHFFFAOYSA-N 1 2 298.386 3.155 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989234 613375454 /nfs/dbraw/zinc/37/54/54/613375454.db2.gz AFKYOIJMTOOLNN-RISCZKNCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989234 613375455 /nfs/dbraw/zinc/37/54/55/613375455.db2.gz AFKYOIJMTOOLNN-RISCZKNCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C1CCC(C(=O)N(CC)C2C[NH+](CC=C(C)C)C2)CC1 ZINC000951609427 613403392 /nfs/dbraw/zinc/40/33/92/613403392.db2.gz XRVGBXMHUFVITK-UHFFFAOYSA-N 1 2 290.451 3.232 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000957036985 613654482 /nfs/dbraw/zinc/65/44/82/613654482.db2.gz UBUQXPZQTBZYLL-WKILWMFISA-N 1 2 292.467 3.168 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891933750 618393204 /nfs/dbraw/zinc/39/32/04/618393204.db2.gz MVOWJLLBPBPDSA-VIFPVBQESA-N 1 2 256.271 3.497 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891933750 618393214 /nfs/dbraw/zinc/39/32/14/618393214.db2.gz MVOWJLLBPBPDSA-VIFPVBQESA-N 1 2 256.271 3.497 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000255521526 618655288 /nfs/dbraw/zinc/65/52/88/618655288.db2.gz IDWNGCVPKCYKHS-FPLPWBNLSA-N 1 2 293.282 3.139 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)o1 ZINC000255570513 618716745 /nfs/dbraw/zinc/71/67/45/618716745.db2.gz TVHVWXREZPEQEU-SREVYHEPSA-N 1 2 252.273 3.132 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cnccc1C)c1cccc(C#N)c1O ZINC000926524092 618724008 /nfs/dbraw/zinc/72/40/08/618724008.db2.gz ABRNOUWTDSFWLY-MRXNPFEDSA-N 1 2 281.359 3.208 20 30 CGEDLO COc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)ccc1F ZINC000255667886 618773812 /nfs/dbraw/zinc/77/38/12/618773812.db2.gz GSVUCHANJNMQDK-VURMDHGXSA-N 1 2 296.301 3.378 20 30 CGEDLO CCc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)o1 ZINC000180315253 618873559 /nfs/dbraw/zinc/87/35/59/618873559.db2.gz NLSXYRWRQLOIEI-SOFGYWHQSA-N 1 2 266.300 3.386 20 30 CGEDLO O=C1c2c(cc(F)cc2F)O/C1=C\c1cccc2[nH+]ccn21 ZINC000184350562 619051379 /nfs/dbraw/zinc/05/13/79/619051379.db2.gz QESKEYBZOXHDQY-JYRVWZFOSA-N 1 2 298.248 3.229 20 30 CGEDLO Cc1cccc(C[NH2+]C[C@H](C)C#N)c1Br ZINC000893543690 619215069 /nfs/dbraw/zinc/21/50/69/619215069.db2.gz FSHBTXKSUJWOES-SECBINFHSA-N 1 2 267.170 3.007 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)C(C)(C)C ZINC000894518063 619561908 /nfs/dbraw/zinc/56/19/08/619561908.db2.gz VPBROJSHMSDFFC-VIFPVBQESA-N 1 2 276.327 3.299 20 30 CGEDLO CC[C@@H]([NH2+]CCCCSC)c1cccc(C#N)c1O ZINC000925100743 619680812 /nfs/dbraw/zinc/68/08/12/619680812.db2.gz WFSTYOREAJBDRH-CQSZACIVSA-N 1 2 278.421 3.448 20 30 CGEDLO Cc1cc(N[C@@H](C)CC2(C#N)CCOCC2)c[nH+]c1C ZINC000895645343 619863762 /nfs/dbraw/zinc/86/37/62/619863762.db2.gz PJVHCLIDXGFRBV-ZDUSSCGKSA-N 1 2 273.380 3.209 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000896500755 620017514 /nfs/dbraw/zinc/01/75/14/620017514.db2.gz JZKAOJWCOFJIEN-INIZCTEOSA-N 1 2 283.419 3.412 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000896500755 620017517 /nfs/dbraw/zinc/01/75/17/620017517.db2.gz JZKAOJWCOFJIEN-INIZCTEOSA-N 1 2 283.419 3.412 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCCC2CCOCC2)c1 ZINC000840707717 620090939 /nfs/dbraw/zinc/09/09/39/620090939.db2.gz RLBXPSMYRVLGTE-AQTBWJFISA-N 1 2 291.391 3.417 20 30 CGEDLO C=CCC[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000896914303 620097998 /nfs/dbraw/zinc/09/79/98/620097998.db2.gz YURSCKPYGZCZFT-MRXNPFEDSA-N 1 2 297.402 3.393 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCc2c(ncn2CC)C1 ZINC000897336994 620211043 /nfs/dbraw/zinc/21/10/43/620211043.db2.gz SWIRXCXXODBCKD-UHFFFAOYSA-N 1 2 297.402 3.026 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCc2c(ncn2CC)C1 ZINC000897336994 620211045 /nfs/dbraw/zinc/21/10/45/620211045.db2.gz SWIRXCXXODBCKD-UHFFFAOYSA-N 1 2 297.402 3.026 20 30 CGEDLO CCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897624498 620411009 /nfs/dbraw/zinc/41/10/09/620411009.db2.gz MBJMGQAGJIZODB-UHFFFAOYSA-N 1 2 276.361 3.243 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897624498 620411014 /nfs/dbraw/zinc/41/10/14/620411014.db2.gz MBJMGQAGJIZODB-UHFFFAOYSA-N 1 2 276.361 3.243 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1ncccn1 ZINC000929162733 620518869 /nfs/dbraw/zinc/51/88/69/620518869.db2.gz SRUAAIXGVCGVTO-CQSZACIVSA-N 1 2 253.349 3.226 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1ncccn1 ZINC000929162733 620518873 /nfs/dbraw/zinc/51/88/73/620518873.db2.gz SRUAAIXGVCGVTO-CQSZACIVSA-N 1 2 253.349 3.226 20 30 CGEDLO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(C#N)c1O ZINC000927160484 620614322 /nfs/dbraw/zinc/61/43/22/620614322.db2.gz SKDHXHNWQPCHML-WFASDCNBSA-N 1 2 286.375 3.016 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC1CC2(C1)OCCO2 ZINC000899227529 620626766 /nfs/dbraw/zinc/62/67/66/620626766.db2.gz MYNCOHDEWOPZKY-XDHOZWIPSA-N 1 2 297.354 3.117 20 30 CGEDLO Cc1[nH]c(/C=C2\CCOc3ccc(F)cc3C2=O)[nH+]c1C ZINC000901451174 620885828 /nfs/dbraw/zinc/88/58/28/620885828.db2.gz AZDSCCXMTBEWTG-YRNVUSSQSA-N 1 2 286.306 3.214 20 30 CGEDLO CCN(C)c1ccc(C(=O)/C=C\c2c[nH+]cn2CC)cc1 ZINC000901479946 620892436 /nfs/dbraw/zinc/89/24/36/620892436.db2.gz ANMZKUCJFUDMRB-KHPPLWFESA-N 1 2 283.375 3.255 20 30 CGEDLO Cc1c(C(=O)/C=C\c2c[nH+]cn2C(C)C)cnn1C(C)C ZINC000901495795 620901289 /nfs/dbraw/zinc/90/12/89/620901289.db2.gz OGQSYDWPHZLPCP-SREVYHEPSA-N 1 2 286.379 3.446 20 30 CGEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C/c1c[nH+]cn1C ZINC000901499614 620903349 /nfs/dbraw/zinc/90/33/49/620903349.db2.gz NBQMOARYGMQUAS-WPBGYSLVSA-N 1 2 266.344 3.440 20 30 CGEDLO C#CC[C@H]([NH2+][C@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000902888621 621485855 /nfs/dbraw/zinc/48/58/55/621485855.db2.gz UPWNPKQUAFPJPF-ZBFHGGJFSA-N 1 2 282.391 3.103 20 30 CGEDLO C=CCC(CC=C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260594 621897478 /nfs/dbraw/zinc/89/74/78/621897478.db2.gz QIWHPIILROHJTG-UHFFFAOYSA-N 1 2 270.336 3.258 20 30 CGEDLO CN(C)c1cc(-c2ccc(C3(C#N)CC3)cc2)cc[nH+]1 ZINC000904848364 622006693 /nfs/dbraw/zinc/00/66/93/622006693.db2.gz AXPPYUDRRDAASC-UHFFFAOYSA-N 1 2 263.344 3.370 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000770665337 625599016 /nfs/dbraw/zinc/59/90/16/625599016.db2.gz CUADQQRSJGFATJ-LBPRGKRZSA-N 1 2 260.312 3.037 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000770665337 625599033 /nfs/dbraw/zinc/59/90/33/625599033.db2.gz CUADQQRSJGFATJ-LBPRGKRZSA-N 1 2 260.312 3.037 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CC(C)C)c(F)c1 ZINC000228602349 623065485 /nfs/dbraw/zinc/06/54/85/623065485.db2.gz SNALMDJYKNRHEQ-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)C)c(F)c1 ZINC000228602349 623065494 /nfs/dbraw/zinc/06/54/94/623065494.db2.gz SNALMDJYKNRHEQ-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO COc1cccc(/C=[NH+]/CCc2ccccc2)c1O ZINC000060802358 623070881 /nfs/dbraw/zinc/07/08/81/623070881.db2.gz XJHDCGJRVHHPLF-SFQUDFHCSA-N 1 2 255.317 3.062 20 30 CGEDLO C[C@@H](C/[NH+]=C\c1ccccc1O)N1CCc2ccccc21 ZINC000914701516 623847287 /nfs/dbraw/zinc/84/72/87/623847287.db2.gz JOYFQFMLNWHBRF-QIQQCEGHSA-N 1 2 280.371 3.262 20 30 CGEDLO Cc1cc(C)c(CC/[NH+]=C/c2ccc(O)c(O)c2O)c(C)c1 ZINC000917557146 624288674 /nfs/dbraw/zinc/28/86/74/624288674.db2.gz YYVOTSSXRBYABU-VXLYETTFSA-N 1 2 299.370 3.390 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccccc1F ZINC000180308009 624736051 /nfs/dbraw/zinc/73/60/51/624736051.db2.gz DGEUIVPAULMNQQ-CMDGGOBGSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CCCC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC000921646735 625800890 /nfs/dbraw/zinc/80/08/90/625800890.db2.gz HZWGANYZHRNJTP-INIZCTEOSA-N 1 2 297.402 3.474 20 30 CGEDLO C=CCn1cc2ccc(NCc3c[nH+]cn3CC)cc2n1 ZINC000922981940 626115130 /nfs/dbraw/zinc/11/51/30/626115130.db2.gz XCYYQNFLNITLJV-UHFFFAOYSA-N 1 2 281.363 3.051 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000103460838 626353061 /nfs/dbraw/zinc/35/30/61/626353061.db2.gz IGNFRJGYLCJZKE-LLVKDONJSA-N 1 2 276.380 3.129 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000103460838 626353066 /nfs/dbraw/zinc/35/30/66/626353066.db2.gz IGNFRJGYLCJZKE-LLVKDONJSA-N 1 2 276.380 3.129 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc(=O)oc2c1 ZINC000754375277 626570048 /nfs/dbraw/zinc/57/00/48/626570048.db2.gz XUESQEPBZWVUOB-ZDUSSCGKSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1ccc2c(C[N@H+](C[C@@H](C)C#N)C3CC3)cc(=O)oc2c1 ZINC000754375277 626570049 /nfs/dbraw/zinc/57/00/49/626570049.db2.gz XUESQEPBZWVUOB-ZDUSSCGKSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1[nH]c[nH+]c1CN=Nc1ccc(Br)cc1F ZINC000755700606 626637561 /nfs/dbraw/zinc/63/75/61/626637561.db2.gz YFHRMKGHCZYVGU-UHFFFAOYSA-N 1 2 297.131 3.066 20 30 CGEDLO C[C@@H](CC1CCCCC1)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000757755809 626806457 /nfs/dbraw/zinc/80/64/57/626806457.db2.gz ZCHJTIKANNCFRL-MAUKXSAKSA-N 1 2 289.467 3.265 20 30 CGEDLO C[C@@H](CC1CCCCC1)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000757755809 626806458 /nfs/dbraw/zinc/80/64/58/626806458.db2.gz ZCHJTIKANNCFRL-MAUKXSAKSA-N 1 2 289.467 3.265 20 30 CGEDLO NC(=[NH+]OC1CCCC1)c1ccc(Br)cc1 ZINC000758771767 626859826 /nfs/dbraw/zinc/85/98/26/626859826.db2.gz NWOQTZHJUVAKRO-UHFFFAOYSA-N 1 2 283.169 3.029 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000121409057 634534585 /nfs/dbraw/zinc/53/45/85/634534585.db2.gz PULWWIDDFUGATK-UHFFFAOYSA-N 1 2 286.347 3.058 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000121409057 634534589 /nfs/dbraw/zinc/53/45/89/634534589.db2.gz PULWWIDDFUGATK-UHFFFAOYSA-N 1 2 286.347 3.058 20 30 CGEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)cnc1Cl ZINC000760252597 626948493 /nfs/dbraw/zinc/94/84/93/626948493.db2.gz HZNKMTBRMCGKCN-UHFFFAOYSA-N 1 2 296.761 3.460 20 30 CGEDLO C#Cc1cccc(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000874343200 634537253 /nfs/dbraw/zinc/53/72/53/634537253.db2.gz VDPPUBHFWSIHHF-KRWDZBQOSA-N 1 2 295.386 3.115 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(C#N)s3)n21 ZINC000762443678 627110049 /nfs/dbraw/zinc/11/00/49/627110049.db2.gz QUXGKKRWODXEHV-ALCCZGGFSA-N 1 2 293.351 3.472 20 30 CGEDLO Fc1cc(NN=Cc2cccc3[nH+]ccn32)cc(F)c1F ZINC000771101388 627682882 /nfs/dbraw/zinc/68/28/82/627682882.db2.gz SLKQJEDMWSBJOX-UHFFFAOYSA-N 1 2 290.248 3.198 20 30 CGEDLO C#CCCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000773636758 627902307 /nfs/dbraw/zinc/90/23/07/627902307.db2.gz YAGDFWPXNGRWCO-UHFFFAOYSA-N 1 2 282.343 3.109 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCC[C@H]2OC)c1O ZINC000774541956 628004056 /nfs/dbraw/zinc/00/40/56/628004056.db2.gz MXEPEHMHDOXXCB-XPOBMWCSSA-N 1 2 277.364 3.025 20 30 CGEDLO Clc1ccnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000777906519 628310110 /nfs/dbraw/zinc/31/01/10/628310110.db2.gz BQGYOWJVUDMOBX-UHFFFAOYSA-N 1 2 297.749 3.367 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000777962521 628315373 /nfs/dbraw/zinc/31/53/73/628315373.db2.gz CURUORPMMRUGPL-HNNXBMFYSA-N 1 2 272.392 3.062 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000777962521 628315374 /nfs/dbraw/zinc/31/53/74/628315374.db2.gz CURUORPMMRUGPL-HNNXBMFYSA-N 1 2 272.392 3.062 20 30 CGEDLO CCCCCCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779094891 628388653 /nfs/dbraw/zinc/38/86/53/628388653.db2.gz GAOPWJJGIUSCIK-OAHLLOKOSA-N 1 2 291.439 3.455 20 30 CGEDLO C#CCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000779877753 628439569 /nfs/dbraw/zinc/43/95/69/628439569.db2.gz UXQBLGCWQDMTMI-UHFFFAOYSA-N 1 2 295.386 3.072 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccncc1 ZINC000783696053 628741116 /nfs/dbraw/zinc/74/11/16/628741116.db2.gz DGMDZTJQJLTQAC-UPHRSURJSA-N 1 2 281.340 3.225 20 30 CGEDLO C(=NOC1CCCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000783858732 628752255 /nfs/dbraw/zinc/75/22/55/628752255.db2.gz DPFFYAFYDIBZES-UHFFFAOYSA-N 1 2 261.350 3.227 20 30 CGEDLO C#C[C@H](NCc1[nH]c(C)c(C)[nH+]1)c1ccc(Cl)cc1F ZINC000862365006 629352823 /nfs/dbraw/zinc/35/28/23/629352823.db2.gz JWWBZTVWWWMPBW-AWEZNQCLSA-N 1 2 291.757 3.283 20 30 CGEDLO C=C(Br)C[N@H+]1CCc2cc(C)ccc2C1 ZINC000792312968 629355660 /nfs/dbraw/zinc/35/56/60/629355660.db2.gz RQPKSCLMDFFNQP-UHFFFAOYSA-N 1 2 266.182 3.262 20 30 CGEDLO C=C(Br)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000792312968 629355657 /nfs/dbraw/zinc/35/56/57/629355657.db2.gz RQPKSCLMDFFNQP-UHFFFAOYSA-N 1 2 266.182 3.262 20 30 CGEDLO CC[C@H](C)CON=C1CCN(c2cccc[nH+]2)CC1 ZINC000793159712 629418932 /nfs/dbraw/zinc/41/89/32/629418932.db2.gz QRXPCBIMVXCENO-ZDUSSCGKSA-N 1 2 261.369 3.101 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1cccc(C(C)C)c1 ZINC000863127149 629481293 /nfs/dbraw/zinc/48/12/93/629481293.db2.gz VLWXYZMEWHMKMI-UHFFFAOYSA-N 1 2 284.407 3.410 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cccc(Br)n1 ZINC000794527893 629550613 /nfs/dbraw/zinc/55/06/13/629550613.db2.gz KJQYUNJHDLSDAZ-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(Br)n1 ZINC000794527893 629550617 /nfs/dbraw/zinc/55/06/17/629550617.db2.gz KJQYUNJHDLSDAZ-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc(F)cc(F)c1O ZINC000797587523 629964602 /nfs/dbraw/zinc/96/46/02/629964602.db2.gz UZNWKALWNZXKFV-VIFPVBQESA-N 1 2 266.291 3.015 20 30 CGEDLO Cc1ccc(Cn2c[nH+]c(C(C)(C)C)c2)cc1C#N ZINC000865376137 630085901 /nfs/dbraw/zinc/08/59/01/630085901.db2.gz AOVAHMDFHWNLAX-UHFFFAOYSA-N 1 2 253.349 3.409 20 30 CGEDLO C[C@H](C#N)OCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000801916937 630365703 /nfs/dbraw/zinc/36/57/03/630365703.db2.gz KPTMEZBMKCNGDM-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@H](C#N)OCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000801916937 630365705 /nfs/dbraw/zinc/36/57/05/630365705.db2.gz KPTMEZBMKCNGDM-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000809584051 630754685 /nfs/dbraw/zinc/75/46/85/630754685.db2.gz UMKDIPVZAYPCAD-IBGZPJMESA-N 1 2 277.367 3.241 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000809584051 630754691 /nfs/dbraw/zinc/75/46/91/630754691.db2.gz UMKDIPVZAYPCAD-IBGZPJMESA-N 1 2 277.367 3.241 20 30 CGEDLO Cc1nc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC000813589301 631439625 /nfs/dbraw/zinc/43/96/25/631439625.db2.gz PNODRUDEQLHEQL-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000813854782 631470489 /nfs/dbraw/zinc/47/04/89/631470489.db2.gz FDLOFTNDKCRWKC-MRXNPFEDSA-N 1 2 295.390 3.088 20 30 CGEDLO CC(C)(C)C(C)(C)C/[NH+]=C\c1ccc(O)c(O)c1O ZINC000814183453 631541703 /nfs/dbraw/zinc/54/17/03/631541703.db2.gz IWXBPLRJQTYMBK-PXNMLYILSA-N 1 2 265.353 3.295 20 30 CGEDLO C#CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675861 631620048 /nfs/dbraw/zinc/62/00/48/631620048.db2.gz VKCZVDWLZZSKFI-CQSZACIVSA-N 1 2 297.320 3.491 20 30 CGEDLO C#CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675861 631620055 /nfs/dbraw/zinc/62/00/55/631620055.db2.gz VKCZVDWLZZSKFI-CQSZACIVSA-N 1 2 297.320 3.491 20 30 CGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1cc(N)ccc1F ZINC000814694442 631625389 /nfs/dbraw/zinc/62/53/89/631625389.db2.gz KIZJSEAVUPLGNM-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO CCC(=[NH+]Nc1ccnc2ccccc21)c1cccc(N)c1 ZINC000814841503 631652682 /nfs/dbraw/zinc/65/26/82/631652682.db2.gz PRHOKQTXDLKDAC-UHFFFAOYSA-N 1 2 290.370 3.465 20 30 CGEDLO CC(=[NH+]O[C@@H]1CCCCO1)c1ccc(Cl)c(N)c1 ZINC000814886844 631666163 /nfs/dbraw/zinc/66/61/63/631666163.db2.gz FGLVVAIAAFURQB-CYBMUJFWSA-N 1 2 268.744 3.189 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](C)C#N ZINC000816493192 631991830 /nfs/dbraw/zinc/99/18/30/631991830.db2.gz SBURQEZSGVRDAT-SECBINFHSA-N 1 2 270.735 3.166 20 30 CGEDLO COc1cc(F)cc(N[NH2+]C=CC(F)(F)F)c1 ZINC000817325263 632121655 /nfs/dbraw/zinc/12/16/55/632121655.db2.gz CSPIPEDSNBCVBW-UHFFFAOYSA-N 1 2 250.195 3.184 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(OC)c1 ZINC000820598449 632651979 /nfs/dbraw/zinc/65/19/79/632651979.db2.gz DTWORTGRJVCVHJ-UHFFFAOYSA-N 1 2 296.370 3.495 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C#N)cc1 ZINC000820664614 632662247 /nfs/dbraw/zinc/66/22/47/632662247.db2.gz PCBKYWSQVCSCFG-UHFFFAOYSA-N 1 2 291.354 3.358 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822841762 633026241 /nfs/dbraw/zinc/02/62/41/633026241.db2.gz PPEQRUYXJNMBKX-MNOVXSKESA-N 1 2 261.196 3.196 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822841762 633026246 /nfs/dbraw/zinc/02/62/46/633026246.db2.gz PPEQRUYXJNMBKX-MNOVXSKESA-N 1 2 261.196 3.196 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cccc(C#N)c1O ZINC000866249538 633044741 /nfs/dbraw/zinc/04/47/41/633044741.db2.gz LCCIWPZRMSALEG-UONOGXRCSA-N 1 2 296.370 3.382 20 30 CGEDLO C[C@H]([NH2+]CCOC1CCCCC1)c1cccc(C#N)c1O ZINC000866250285 633045922 /nfs/dbraw/zinc/04/59/22/633045922.db2.gz YAXAOZRFORFIHL-ZDUSSCGKSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+]CCCNc1ccccc1)c1cccc(C#N)c1O ZINC000866270616 633055654 /nfs/dbraw/zinc/05/56/54/633055654.db2.gz ZYZCMOYKOYYGLM-CQSZACIVSA-N 1 2 295.386 3.417 20 30 CGEDLO COCCC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866286013 633065799 /nfs/dbraw/zinc/06/57/99/633065799.db2.gz UDERDCCJHDJVEV-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866324661 633082311 /nfs/dbraw/zinc/08/23/11/633082311.db2.gz UQXKAVIEHRLILS-ONGXEEELSA-N 1 2 266.291 3.102 20 30 CGEDLO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866336941 633085095 /nfs/dbraw/zinc/08/50/95/633085095.db2.gz TWXWSGUMKCQJMH-HZSPNIEDSA-N 1 2 288.391 3.120 20 30 CGEDLO COC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCCCC1 ZINC000866343129 633089920 /nfs/dbraw/zinc/08/99/20/633089920.db2.gz XDQZSDLGQUCKPP-CYBMUJFWSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000866367110 633104607 /nfs/dbraw/zinc/10/46/07/633104607.db2.gz FVYVQTBIMWLLEQ-ZYHUDNBSSA-N 1 2 280.318 3.350 20 30 CGEDLO COCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCCC1 ZINC000866369255 633105825 /nfs/dbraw/zinc/10/58/25/633105825.db2.gz KCAOVHMIUMGBPB-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000866368460 633106479 /nfs/dbraw/zinc/10/64/79/633106479.db2.gz CKUNSRUHDBDZRW-OLZOCXBDSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H]1CCCCO1 ZINC000866387464 633116144 /nfs/dbraw/zinc/11/61/44/633116144.db2.gz RIJRTHBLRCTJSH-VBNZEHGJSA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1O ZINC000866388966 633116714 /nfs/dbraw/zinc/11/67/14/633116714.db2.gz BTLWCQDCKXXSME-DIFFPNOSSA-N 1 2 294.354 3.308 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C#N)c1O ZINC000866394980 633120974 /nfs/dbraw/zinc/12/09/74/633120974.db2.gz YZCGNSZCHCKBPK-CYBMUJFWSA-N 1 2 283.375 3.389 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(Cl)cc1 ZINC000825949641 633391950 /nfs/dbraw/zinc/39/19/50/633391950.db2.gz YKNVYJBPFULMER-KRWDZBQOSA-N 1 2 299.805 3.411 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000834658240 634211180 /nfs/dbraw/zinc/21/11/80/634211180.db2.gz OJDMHHLOYLDMKG-GFCCVEGCSA-N 1 2 275.783 3.490 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000834889735 634270154 /nfs/dbraw/zinc/27/01/54/634270154.db2.gz XHYMOAIMSFDBIO-MCIONIFRSA-N 1 2 281.783 3.430 20 30 CGEDLO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCC#N ZINC000835025966 634324263 /nfs/dbraw/zinc/32/42/63/634324263.db2.gz PDSRTHSQWGFRNM-ALCCZGGFSA-N 1 2 257.381 3.001 20 30 CGEDLO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCC#N ZINC000835025966 634324268 /nfs/dbraw/zinc/32/42/68/634324268.db2.gz PDSRTHSQWGFRNM-ALCCZGGFSA-N 1 2 257.381 3.001 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnc2c(F)cccc2c1 ZINC000876610770 634867591 /nfs/dbraw/zinc/86/75/91/634867591.db2.gz IIROSCOGNFBPJN-UHFFFAOYSA-N 1 2 271.339 3.498 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnc2c(F)cccc2c1 ZINC000876610770 634867595 /nfs/dbraw/zinc/86/75/95/634867595.db2.gz IIROSCOGNFBPJN-UHFFFAOYSA-N 1 2 271.339 3.498 20 30 CGEDLO Cc1sc(C[N@@H+](C)C[C@H](C)C#N)cc1Br ZINC000876617303 634869172 /nfs/dbraw/zinc/86/91/72/634869172.db2.gz JRQLFEUGXUDZPC-MRVPVSSYSA-N 1 2 287.226 3.411 20 30 CGEDLO Cc1sc(C[N@H+](C)C[C@H](C)C#N)cc1Br ZINC000876617303 634869173 /nfs/dbraw/zinc/86/91/73/634869173.db2.gz JRQLFEUGXUDZPC-MRVPVSSYSA-N 1 2 287.226 3.411 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc2c(F)cccc2c1)CC1CC1 ZINC000876691161 634881965 /nfs/dbraw/zinc/88/19/65/634881965.db2.gz CMQQYAKQUKXDJO-UHFFFAOYSA-N 1 2 283.350 3.500 20 30 CGEDLO N#CCC[N@H+](Cc1cnc2c(F)cccc2c1)CC1CC1 ZINC000876691161 634881970 /nfs/dbraw/zinc/88/19/70/634881970.db2.gz CMQQYAKQUKXDJO-UHFFFAOYSA-N 1 2 283.350 3.500 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000840713543 635040652 /nfs/dbraw/zinc/04/06/52/635040652.db2.gz SPDJAXNZMWVJEG-QAELCWLDSA-N 1 2 277.364 3.023 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)C[C@H](C)C1(F)F ZINC000877650688 635131237 /nfs/dbraw/zinc/13/12/37/635131237.db2.gz UASLQUDRRZBNMS-AOOOYVTPSA-N 1 2 299.752 3.330 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)C[C@H](C)C1(F)F ZINC000877650688 635131242 /nfs/dbraw/zinc/13/12/42/635131242.db2.gz UASLQUDRRZBNMS-AOOOYVTPSA-N 1 2 299.752 3.330 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OCC ZINC000877671627 635141457 /nfs/dbraw/zinc/14/14/57/635141457.db2.gz LWHHJBWWNDJPER-LLVKDONJSA-N 1 2 295.757 3.228 20 30 CGEDLO Cc1conc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000878002269 635315631 /nfs/dbraw/zinc/31/56/31/635315631.db2.gz SMZNIAAPQJKIQU-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1conc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000878002269 635315634 /nfs/dbraw/zinc/31/56/34/635315634.db2.gz SMZNIAAPQJKIQU-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878034604 635331258 /nfs/dbraw/zinc/33/12/58/635331258.db2.gz HYHRBTARVXINDI-NSHDSACASA-N 1 2 273.767 3.480 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878034604 635331267 /nfs/dbraw/zinc/33/12/67/635331267.db2.gz HYHRBTARVXINDI-NSHDSACASA-N 1 2 273.767 3.480 20 30 CGEDLO C=C1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000878086966 635349506 /nfs/dbraw/zinc/34/95/06/635349506.db2.gz FGJQUTJKGGHUQO-UHFFFAOYSA-N 1 2 260.381 3.342 20 30 CGEDLO C=CC(C)(C)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000878530123 635546289 /nfs/dbraw/zinc/54/62/89/635546289.db2.gz QIZDHQUQBPKDQF-UHFFFAOYSA-N 1 2 290.407 3.268 20 30 CGEDLO CCCCCCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000844464713 635909846 /nfs/dbraw/zinc/90/98/46/635909846.db2.gz OBIQVCWYXQSUAH-MRXNPFEDSA-N 1 2 279.428 3.154 20 30 CGEDLO CCCCCCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000844464713 635909852 /nfs/dbraw/zinc/90/98/52/635909852.db2.gz OBIQVCWYXQSUAH-MRXNPFEDSA-N 1 2 279.428 3.154 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@H](C)C1CCCCC1 ZINC000848418256 636572528 /nfs/dbraw/zinc/57/25/28/636572528.db2.gz KKVHTHPYPRHKMD-AWEZNQCLSA-N 1 2 276.428 3.455 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2CC(OC)C2)c1O ZINC000849171353 636763821 /nfs/dbraw/zinc/76/38/21/636763821.db2.gz UMQCJDGHGTZWQZ-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000132065483 636778861 /nfs/dbraw/zinc/77/88/61/636778861.db2.gz CBWNZXJZAHOJGI-UHFFFAOYSA-N 1 2 289.766 3.075 20 30 CGEDLO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)COC ZINC000852357463 637642024 /nfs/dbraw/zinc/64/20/24/637642024.db2.gz CKRXXDUARAFESU-LLVKDONJSA-N 1 2 298.770 3.271 20 30 CGEDLO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)COC ZINC000852357463 637642034 /nfs/dbraw/zinc/64/20/34/637642034.db2.gz CKRXXDUARAFESU-LLVKDONJSA-N 1 2 298.770 3.271 20 30 CGEDLO CC1(C)CCCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000853369997 637826456 /nfs/dbraw/zinc/82/64/56/637826456.db2.gz CRKPMVXSVFHEAK-UHFFFAOYSA-N 1 2 262.401 3.209 20 30 CGEDLO O=C1C=C([NH2+]Nc2cc(F)cc(Cl)c2)[C@@H]2CCCCN12 ZINC000853395792 637835046 /nfs/dbraw/zinc/83/50/46/637835046.db2.gz LNEPCRDBIHHCTO-ZDUSSCGKSA-N 1 2 295.745 3.032 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCCSC1 ZINC000853406585 637838230 /nfs/dbraw/zinc/83/82/30/637838230.db2.gz KOMOIMBDRTZORP-ZDUSSCGKSA-N 1 2 276.405 3.181 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC(C)(C)O1 ZINC000853485702 637852874 /nfs/dbraw/zinc/85/28/74/637852874.db2.gz NYXJWKGQOUOZRA-AWEZNQCLSA-N 1 2 288.391 3.243 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000853523159 637861529 /nfs/dbraw/zinc/86/15/29/637861529.db2.gz AYHSWLNSVRVJKM-GFCCVEGCSA-N 1 2 288.782 3.273 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000853523159 637861531 /nfs/dbraw/zinc/86/15/31/637861531.db2.gz AYHSWLNSVRVJKM-GFCCVEGCSA-N 1 2 288.782 3.273 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C)sc2=S)C1 ZINC000853535940 637863969 /nfs/dbraw/zinc/86/39/69/637863969.db2.gz HAWAPIAENODJHE-LLVKDONJSA-N 1 2 269.439 3.228 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C)sc2=S)C1 ZINC000853535940 637863971 /nfs/dbraw/zinc/86/39/71/637863971.db2.gz HAWAPIAENODJHE-LLVKDONJSA-N 1 2 269.439 3.228 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CSC1(C)C ZINC000853582986 637870188 /nfs/dbraw/zinc/87/01/88/637870188.db2.gz MZOJZMDYFRGAPN-ZDUSSCGKSA-N 1 2 276.405 3.180 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccc(C)cn1 ZINC000853678644 637890722 /nfs/dbraw/zinc/89/07/22/637890722.db2.gz LKGRXSAKAHSDSK-UHFFFAOYSA-N 1 2 295.386 3.232 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@H](C(C)C)CC1=O ZINC000113239925 638167373 /nfs/dbraw/zinc/16/73/73/638167373.db2.gz SHPLLDJAAGNWRM-QGZVFWFLSA-N 1 2 286.419 3.137 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@H](C(C)C)CC1=O ZINC000113239925 638167378 /nfs/dbraw/zinc/16/73/78/638167378.db2.gz SHPLLDJAAGNWRM-QGZVFWFLSA-N 1 2 286.419 3.137 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(C#N)c1O ZINC000925465662 638505891 /nfs/dbraw/zinc/50/58/91/638505891.db2.gz IYADYSJFENVDIX-IUODEOHRSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1cccc(C#N)c1O ZINC000925569124 638532809 /nfs/dbraw/zinc/53/28/09/638532809.db2.gz QWVKOJBSCKSSRZ-OAHLLOKOSA-N 1 2 288.391 3.121 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1 ZINC000857981523 638612294 /nfs/dbraw/zinc/61/22/94/638612294.db2.gz GDZNWBGKRVMUIJ-HOTGVXAUSA-N 1 2 295.386 3.194 20 30 CGEDLO CC[C@H]([NH2+]CCSC(C)C)c1cccc(C#N)c1O ZINC000926423438 638769825 /nfs/dbraw/zinc/76/98/25/638769825.db2.gz PVVFRQZJLMYVAK-AWEZNQCLSA-N 1 2 278.421 3.446 20 30 CGEDLO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc(C#N)c1O ZINC000926459978 638773665 /nfs/dbraw/zinc/77/36/65/638773665.db2.gz SVGNENIVRHRJBJ-DOTOQJQBSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1C#N ZINC000926960234 638829341 /nfs/dbraw/zinc/82/93/41/638829341.db2.gz FWYORPUPBAXCMT-AEFFLSMTSA-N 1 2 296.345 3.428 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859152777 639091870 /nfs/dbraw/zinc/09/18/70/639091870.db2.gz VWFFYJRBEUHURC-SJORKVTESA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859152777 639091877 /nfs/dbraw/zinc/09/18/77/639091877.db2.gz VWFFYJRBEUHURC-SJORKVTESA-N 1 2 295.361 3.492 20 30 CGEDLO C#CC[N@H+](Cc1ncc(Br)cc1F)C(C)(C)C ZINC000932462122 639338111 /nfs/dbraw/zinc/33/81/11/639338111.db2.gz OVSPTNSOADDDCO-UHFFFAOYSA-N 1 2 299.187 3.217 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(Br)cc1F)C(C)(C)C ZINC000932462122 639338122 /nfs/dbraw/zinc/33/81/22/639338122.db2.gz OVSPTNSOADDDCO-UHFFFAOYSA-N 1 2 299.187 3.217 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1nnc(C(F)(F)F)s1 ZINC000934647650 639650933 /nfs/dbraw/zinc/65/09/33/639650933.db2.gz RAZLYOQZQVHSQH-UHFFFAOYSA-N 1 2 279.331 3.345 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1nnc(C(F)(F)F)s1 ZINC000934647650 639650937 /nfs/dbraw/zinc/65/09/37/639650937.db2.gz RAZLYOQZQVHSQH-UHFFFAOYSA-N 1 2 279.331 3.345 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007607020 640943406 /nfs/dbraw/zinc/94/34/06/640943406.db2.gz JMGKSSFORRQQOG-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007607020 640943410 /nfs/dbraw/zinc/94/34/10/640943410.db2.gz JMGKSSFORRQQOG-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008448963 640950426 /nfs/dbraw/zinc/95/04/26/640950426.db2.gz MTZWPNVOTMOKMN-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008448963 640950428 /nfs/dbraw/zinc/95/04/28/640950428.db2.gz MTZWPNVOTMOKMN-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000116926564 641031409 /nfs/dbraw/zinc/03/14/09/641031409.db2.gz DRVKSTZIJPIXHZ-VIFPVBQESA-N 1 2 270.170 3.209 20 30 CGEDLO C=CC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000116926565 641031833 /nfs/dbraw/zinc/03/18/33/641031833.db2.gz DRVKSTZIJPIXHZ-SECBINFHSA-N 1 2 270.170 3.209 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@](C)(CC)CCC ZINC001567312232 961279014 /nfs/dbraw/zinc/27/90/14/961279014.db2.gz UZNOFVFZBNKIRQ-AWEZNQCLSA-N 1 2 274.836 3.003 20 30 CGEDLO CCOc1cccc(CCNc2[nH+]cc(C)cc2/C=N/O)c1 ZINC001155871360 805618203 /nfs/dbraw/zinc/61/82/03/805618203.db2.gz TVZZWLQKLDGDRD-UDWIEESQSA-N 1 2 299.374 3.251 20 30 CGEDLO CSCCCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155975905 805633485 /nfs/dbraw/zinc/63/34/85/805633485.db2.gz BIOSHTCXINHBJC-UHFFFAOYSA-N 1 2 257.362 3.271 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H](c2cccnc2)C(F)(F)F)c1 ZINC001156158608 805660999 /nfs/dbraw/zinc/66/09/99/805660999.db2.gz FLZKCIKYMWCAIT-ZDUSSCGKSA-N 1 2 292.264 3.258 20 30 CGEDLO Cn1cc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc1C#N ZINC001250532240 805680746 /nfs/dbraw/zinc/68/07/46/805680746.db2.gz VDMUKOSCRZLKNU-UHFFFAOYSA-N 1 2 291.358 3.040 20 30 CGEDLO N#Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cn1 ZINC001250879293 805790990 /nfs/dbraw/zinc/79/09/90/805790990.db2.gz MOUAWMGPVIMUHM-UHFFFAOYSA-N 1 2 289.342 3.097 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001158795380 806003711 /nfs/dbraw/zinc/00/37/11/806003711.db2.gz HDRCIDOVRWXICH-IAGOWNOFSA-N 1 2 293.370 3.480 20 30 CGEDLO CCCCCCCCCC[C@H](O)C[NH2+]Cc1noc(C)n1 ZINC001252979276 806143544 /nfs/dbraw/zinc/14/35/44/806143544.db2.gz JOYFQGHMOVEADO-HNNXBMFYSA-N 1 2 297.443 3.359 20 30 CGEDLO N#CCc1cc[nH+]c(NCC2(c3ccccc3)CC2)c1 ZINC001160262379 806245287 /nfs/dbraw/zinc/24/52/87/806245287.db2.gz HBAIICWEGZYVIK-UHFFFAOYSA-N 1 2 263.344 3.291 20 30 CGEDLO COC1CCC(CCNc2cc(CC#N)cc[nH+]2)CC1 ZINC001160641598 806290612 /nfs/dbraw/zinc/29/06/12/806290612.db2.gz DNVJHNVXOMSXIA-UHFFFAOYSA-N 1 2 273.380 3.155 20 30 CGEDLO Cc1ccc(C#N)c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160683361 806293921 /nfs/dbraw/zinc/29/39/21/806293921.db2.gz MUHOJYOVXVCGAO-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO Cc1cc(Cl)c(C)c(NCc2cncc(C#N)c2)[nH+]1 ZINC001160995650 806334564 /nfs/dbraw/zinc/33/45/64/806334564.db2.gz SQNSAIZJKWSXBC-UHFFFAOYSA-N 1 2 272.739 3.231 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCc2ccccc2CC1 ZINC001254451438 806404536 /nfs/dbraw/zinc/40/45/36/806404536.db2.gz SKYOKBQXAUWFKY-QGZVFWFLSA-N 1 2 256.393 3.462 20 30 CGEDLO CCCC[C@](CC)([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OCC ZINC001254645202 806470269 /nfs/dbraw/zinc/47/02/69/806470269.db2.gz AWSNVGMNTWPTOG-DZKIICNBSA-N 1 2 280.412 3.170 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1nc(CC)co1 ZINC001162135406 806511090 /nfs/dbraw/zinc/51/10/90/806511090.db2.gz BJQCZJHVEUGLFV-UHFFFAOYSA-N 1 2 257.337 3.281 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001255156776 806557110 /nfs/dbraw/zinc/55/71/10/806557110.db2.gz NMOSANMSDXVCSS-CHWSQXEVSA-N 1 2 287.190 3.309 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001255172676 806566782 /nfs/dbraw/zinc/56/67/82/806566782.db2.gz RKTBHWMEXBGSCG-QWHCGFSZSA-N 1 2 280.318 3.110 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001255172676 806566788 /nfs/dbraw/zinc/56/67/88/806566788.db2.gz RKTBHWMEXBGSCG-QWHCGFSZSA-N 1 2 280.318 3.110 20 30 CGEDLO N#CC1(CNc2ccc(F)c(-n3cc[nH+]c3)c2)CCC1 ZINC001162414520 806582263 /nfs/dbraw/zinc/58/22/63/806582263.db2.gz DNNZRTMSQJXLSP-UHFFFAOYSA-N 1 2 270.311 3.117 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1Cl ZINC000171077258 799088693 /nfs/dbraw/zinc/08/86/93/799088693.db2.gz PEIZOJYTQZYDOT-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1Cl ZINC000171077258 799088703 /nfs/dbraw/zinc/08/87/03/799088703.db2.gz PEIZOJYTQZYDOT-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C=C(C)CNc1c[nH+]c2c(F)cc(Br)cn12 ZINC001163380587 806756073 /nfs/dbraw/zinc/75/60/73/806756073.db2.gz BCUNZTRAWXJTRH-UHFFFAOYSA-N 1 2 284.132 3.224 20 30 CGEDLO Cc1c[nH+]c(CCNc2nc(Cl)c(C#N)s2)c(C)c1 ZINC000709744703 800017577 /nfs/dbraw/zinc/01/75/77/800017577.db2.gz WWSNTANJZPKKTH-UHFFFAOYSA-N 1 2 292.795 3.335 20 30 CGEDLO C#CCC(C)(C)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000809404795 800436368 /nfs/dbraw/zinc/43/63/68/800436368.db2.gz SXYGSBQXFOQWPA-UHFFFAOYSA-N 1 2 292.342 3.223 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033185910 800955861 /nfs/dbraw/zinc/95/58/61/800955861.db2.gz WILTWDCNRSNQBI-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033185910 800955866 /nfs/dbraw/zinc/95/58/66/800955866.db2.gz WILTWDCNRSNQBI-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046702459 801321316 /nfs/dbraw/zinc/32/13/16/801321316.db2.gz DFHWDHCOHKNJCX-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046702459 801321323 /nfs/dbraw/zinc/32/13/23/801321323.db2.gz DFHWDHCOHKNJCX-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046778077 801322948 /nfs/dbraw/zinc/32/29/48/801322948.db2.gz ASGJXNRPCQOIIB-XNRPHZJLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046778077 801322956 /nfs/dbraw/zinc/32/29/56/801322956.db2.gz ASGJXNRPCQOIIB-XNRPHZJLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071476371 801538082 /nfs/dbraw/zinc/53/80/82/801538082.db2.gz FWPLMYQMPPVNIV-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071476371 801538088 /nfs/dbraw/zinc/53/80/88/801538088.db2.gz FWPLMYQMPPVNIV-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071798552 801552138 /nfs/dbraw/zinc/55/21/38/801552138.db2.gz AAJFKSCCUWRMDO-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071798552 801552142 /nfs/dbraw/zinc/55/21/42/801552142.db2.gz AAJFKSCCUWRMDO-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080277086 801649097 /nfs/dbraw/zinc/64/90/97/801649097.db2.gz FKEQBTJMBNKRCU-KWCYVHTRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080277086 801649104 /nfs/dbraw/zinc/64/91/04/801649104.db2.gz FKEQBTJMBNKRCU-KWCYVHTRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080202613 801649692 /nfs/dbraw/zinc/64/96/92/801649692.db2.gz IMINDPRDTJXCLO-BXUZGUMPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080202613 801649699 /nfs/dbraw/zinc/64/96/99/801649699.db2.gz IMINDPRDTJXCLO-BXUZGUMPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(CC)CC)C2 ZINC001109892880 802127724 /nfs/dbraw/zinc/12/77/24/802127724.db2.gz MHZYCZBOPCKXNR-ILXRZTDVSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(CC)CC)C2 ZINC001109892880 802127725 /nfs/dbraw/zinc/12/77/25/802127725.db2.gz MHZYCZBOPCKXNR-ILXRZTDVSA-N 1 2 298.858 3.287 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001113513602 802226317 /nfs/dbraw/zinc/22/63/17/802226317.db2.gz VJZXSEXGTXMHAV-MRXNPFEDSA-N 1 2 280.456 3.169 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccsc1 ZINC001117351513 802462564 /nfs/dbraw/zinc/46/25/64/802462564.db2.gz SVMHSCQBGLBJCW-AATRIKPKSA-N 1 2 258.346 3.105 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC001123411090 802941116 /nfs/dbraw/zinc/94/11/16/802941116.db2.gz FFOUNMJWVLVVSC-AWEZNQCLSA-N 1 2 273.380 3.083 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204991677 812813416 /nfs/dbraw/zinc/81/34/16/812813416.db2.gz QUZZVSWLQKSMLP-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO CCOC(=O)c1c[nH+]c(C2=CC[C@@H](C#N)CC2)cc1N(C)C ZINC001243788445 803006926 /nfs/dbraw/zinc/00/69/26/803006926.db2.gz CSYRJLJOTPJFRJ-GFCCVEGCSA-N 1 2 299.374 3.031 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2ccc(N)c(C#N)c2)c1 ZINC001244117921 803195273 /nfs/dbraw/zinc/19/52/73/803195273.db2.gz ZUJFTUXYZUDNDP-UHFFFAOYSA-N 1 2 274.327 3.208 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244117404 803195871 /nfs/dbraw/zinc/19/58/71/803195871.db2.gz NUBMSLSWERHYKI-UHFFFAOYSA-N 1 2 274.327 3.208 20 30 CGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132064696 803370652 /nfs/dbraw/zinc/37/06/52/803370652.db2.gz MUYDOGSRDKNTJN-KGLIPLIRSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132064696 803370659 /nfs/dbraw/zinc/37/06/59/803370659.db2.gz MUYDOGSRDKNTJN-KGLIPLIRSA-N 1 2 284.831 3.064 20 30 CGEDLO Cc1c(-c2cc(C#N)ccc2F)ccc2[nH+]ccn21 ZINC001244559018 803438191 /nfs/dbraw/zinc/43/81/91/803438191.db2.gz YKXAUGANRBLVTG-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cn1ccc2c1cc[nH+]c2-c1cccc(C#N)c1F ZINC001245067718 803629350 /nfs/dbraw/zinc/62/93/50/803629350.db2.gz XIABKJOERLXMCZ-UHFFFAOYSA-N 1 2 251.264 3.251 20 30 CGEDLO Cc1c(-c2cccc(C#N)c2F)ccc2[nH+]ccn21 ZINC001245072729 803632109 /nfs/dbraw/zinc/63/21/09/803632109.db2.gz QMVMOPOVUNVQMG-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3c(C)cccc3C2)c(C#N)c1 ZINC001137698090 803759674 /nfs/dbraw/zinc/75/96/74/803759674.db2.gz JKPOFVRDQYHFPP-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3c(C)cccc3C2)c(C#N)c1 ZINC001137698090 803759678 /nfs/dbraw/zinc/75/96/78/803759678.db2.gz JKPOFVRDQYHFPP-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)c(C#N)c1 ZINC001137698148 803759854 /nfs/dbraw/zinc/75/98/54/803759854.db2.gz LSNXVSXNDBCNON-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)c(C#N)c1 ZINC001137698148 803759859 /nfs/dbraw/zinc/75/98/59/803759859.db2.gz LSNXVSXNDBCNON-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1c(O)cccc1F ZINC001137837709 803779412 /nfs/dbraw/zinc/77/94/12/803779412.db2.gz RLLCXOCHJCMAPS-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1c(O)cccc1F ZINC001137837709 803779421 /nfs/dbraw/zinc/77/94/21/803779421.db2.gz RLLCXOCHJCMAPS-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139878303 804308118 /nfs/dbraw/zinc/30/81/18/804308118.db2.gz HLKSEXIKYQFXNU-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139878303 804308125 /nfs/dbraw/zinc/30/81/25/804308125.db2.gz HLKSEXIKYQFXNU-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](C#N)C3)c2c1 ZINC001140272111 804404627 /nfs/dbraw/zinc/40/46/27/804404627.db2.gz OVWVVVJIFOEWNC-CYBMUJFWSA-N 1 2 283.375 3.302 20 30 CGEDLO CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C#N)C3)c2c1 ZINC001140272111 804404632 /nfs/dbraw/zinc/40/46/32/804404632.db2.gz OVWVVVJIFOEWNC-CYBMUJFWSA-N 1 2 283.375 3.302 20 30 CGEDLO CCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246594896 804435467 /nfs/dbraw/zinc/43/54/67/804435467.db2.gz SHALPCBEBHWAMG-CVEARBPZSA-N 1 2 265.445 3.313 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c(Cl)c1 ZINC001140796880 804519294 /nfs/dbraw/zinc/51/92/94/804519294.db2.gz BVIZXQBUJRRKBU-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(Cl)c1 ZINC001140796880 804519297 /nfs/dbraw/zinc/51/92/97/804519297.db2.gz BVIZXQBUJRRKBU-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808297 804525678 /nfs/dbraw/zinc/52/56/78/804525678.db2.gz PPJRBCOHDMISQK-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808297 804525682 /nfs/dbraw/zinc/52/56/82/804525682.db2.gz PPJRBCOHDMISQK-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941309 804553969 /nfs/dbraw/zinc/55/39/69/804553969.db2.gz FKOSBXYXZWTLBK-ZDUSSCGKSA-N 1 2 285.778 3.476 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941309 804553971 /nfs/dbraw/zinc/55/39/71/804553971.db2.gz FKOSBXYXZWTLBK-ZDUSSCGKSA-N 1 2 285.778 3.476 20 30 CGEDLO COc1cc(C(F)(F)F)ccc1C[NH+]1CC(CC#N)C1 ZINC001141602586 804655700 /nfs/dbraw/zinc/65/57/00/804655700.db2.gz FZZJDGZITLQUBZ-UHFFFAOYSA-N 1 2 284.281 3.059 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141856647 804675720 /nfs/dbraw/zinc/67/57/20/804675720.db2.gz KOMYKJXUIWQBKM-OAHLLOKOSA-N 1 2 258.296 3.307 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141856647 804675724 /nfs/dbraw/zinc/67/57/24/804675724.db2.gz KOMYKJXUIWQBKM-OAHLLOKOSA-N 1 2 258.296 3.307 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(F)c(Br)cc1F ZINC001141915615 804678814 /nfs/dbraw/zinc/67/88/14/804678814.db2.gz JPNXGXRCHLIBEU-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(F)c(Br)cc1F ZINC001141915615 804678817 /nfs/dbraw/zinc/67/88/17/804678817.db2.gz JPNXGXRCHLIBEU-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730933 804889379 /nfs/dbraw/zinc/88/93/79/804889379.db2.gz HBIKJDPLLCMUFF-GFCCVEGCSA-N 1 2 258.752 3.057 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730933 804889387 /nfs/dbraw/zinc/88/93/87/804889387.db2.gz HBIKJDPLLCMUFF-GFCCVEGCSA-N 1 2 258.752 3.057 20 30 CGEDLO C=CC[C@H](C)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144017280 804923889 /nfs/dbraw/zinc/92/38/89/804923889.db2.gz IYJWEGCPZBCHKO-AWEZNQCLSA-N 1 2 283.375 3.043 20 30 CGEDLO C#Cc1ccc(C[NH+]2CC(OCc3ccccc3)C2)cc1 ZINC001144573451 805009256 /nfs/dbraw/zinc/00/92/56/805009256.db2.gz KPGBTIJFYQMISR-UHFFFAOYSA-N 1 2 277.367 3.069 20 30 CGEDLO COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@H](C#N)C3)c2c1 ZINC001248828194 805009735 /nfs/dbraw/zinc/00/97/35/805009735.db2.gz FRSXOIRZXQGMSL-CYBMUJFWSA-N 1 2 296.370 3.202 20 30 CGEDLO COc1ccc2c(OC)ccc(C[N@H+]3CC[C@H](C#N)C3)c2c1 ZINC001248828194 805009743 /nfs/dbraw/zinc/00/97/43/805009743.db2.gz FRSXOIRZXQGMSL-CYBMUJFWSA-N 1 2 296.370 3.202 20 30 CGEDLO N#Cc1ccccc1CNc1[nH+]cccc1-n1cccc1 ZINC001167633585 807220778 /nfs/dbraw/zinc/22/07/78/807220778.db2.gz NCVKFQXWISNTOG-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1ccccc1C#N ZINC001167634615 807221108 /nfs/dbraw/zinc/22/11/08/807221108.db2.gz HWFOYSRYMVWOPJ-UHFFFAOYSA-N 1 2 294.358 3.155 20 30 CGEDLO Cc1nc(NCCc2ccc(C#N)cc2)c2c([nH+]1)CCCC2 ZINC001167676641 807225576 /nfs/dbraw/zinc/22/55/76/807225576.db2.gz BEXSZNAXVPRPCN-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO CC(C)OC1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001257871762 807233164 /nfs/dbraw/zinc/23/31/64/807233164.db2.gz DTQXJEYGZMROLZ-NRXISQOPSA-N 1 2 252.402 3.250 20 30 CGEDLO CSc1cc(N[C@H]2CC[C@H](C#N)CC2)nc(C)[nH+]1 ZINC001167840500 807260397 /nfs/dbraw/zinc/26/03/97/807260397.db2.gz BFPQNZPVRXFSDX-XYPYZODXSA-N 1 2 262.382 3.001 20 30 CGEDLO Cn1c[nH+]c2ccc(N[C@H]3CC[C@H](C#N)CC3)cc21 ZINC001167844401 807261643 /nfs/dbraw/zinc/26/16/43/807261643.db2.gz NWKHDXLFGOEQRA-HAQNSBGRSA-N 1 2 254.337 3.068 20 30 CGEDLO CCCCCCC[C@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001258041730 807272727 /nfs/dbraw/zinc/27/27/27/807272727.db2.gz ZPWAFCATMWJMMP-KBPBESRZSA-N 1 2 287.444 3.028 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cc(F)cc(F)c1 ZINC001258513436 807482624 /nfs/dbraw/zinc/48/26/24/807482624.db2.gz XFNWBZNXUTVRMK-AATRIKPKSA-N 1 2 288.297 3.322 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(C(C)C)CC1)C(=O)OCC ZINC001258801424 807622263 /nfs/dbraw/zinc/62/22/63/807622263.db2.gz ZXAUPORBUJMCOR-CLKYRPBMSA-N 1 2 279.424 3.299 20 30 CGEDLO O=C(C=CNc1cc[nH+]c(C2CC2)c1)C(F)(F)F ZINC001169481247 807649603 /nfs/dbraw/zinc/64/96/03/807649603.db2.gz XYQNXKHLNQAXCH-GQCTYLIASA-N 1 2 256.227 3.016 20 30 CGEDLO COc1c[nH+]c(NCC#Cc2ccccc2)c2[nH]ccc21 ZINC001170426483 807838637 /nfs/dbraw/zinc/83/86/37/807838637.db2.gz UWMDFQWKCLDEBN-UHFFFAOYSA-N 1 2 277.327 3.035 20 30 CGEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171791853 808141836 /nfs/dbraw/zinc/14/18/36/808141836.db2.gz CHSKSVRTCGLOEM-MRXNPFEDSA-N 1 2 295.361 3.104 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171791853 808141839 /nfs/dbraw/zinc/14/18/39/808141839.db2.gz CHSKSVRTCGLOEM-MRXNPFEDSA-N 1 2 295.361 3.104 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)[C@@H](C)CC)C1CC1 ZINC001266615711 808297214 /nfs/dbraw/zinc/29/72/14/808297214.db2.gz QPOPEGLBVGELTR-WCQYABFASA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)[C@@H](C)CC)C1CC1 ZINC001266615711 808297221 /nfs/dbraw/zinc/29/72/21/808297221.db2.gz QPOPEGLBVGELTR-WCQYABFASA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCC1(C(=O)NC2C[NH+](CC=C(C)C)C2)CCCCC1 ZINC001267668927 808468308 /nfs/dbraw/zinc/46/83/08/808468308.db2.gz CYEYCUWMDRDRNP-UHFFFAOYSA-N 1 2 290.451 3.280 20 30 CGEDLO C=CCN1CC[NH+]([C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172867084 808469101 /nfs/dbraw/zinc/46/91/01/808469101.db2.gz KSAKGHMUOKWLHJ-ZDUSSCGKSA-N 1 2 296.817 3.214 20 30 CGEDLO N#CCC1CCC([N@@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001173331011 808616419 /nfs/dbraw/zinc/61/64/19/808616419.db2.gz JNDFJWRDFOICFI-OTTFEQOBSA-N 1 2 274.330 3.386 20 30 CGEDLO N#CCC1CCC([N@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001173331011 808616424 /nfs/dbraw/zinc/61/64/24/808616424.db2.gz JNDFJWRDFOICFI-OTTFEQOBSA-N 1 2 274.330 3.386 20 30 CGEDLO COC(=O)CCCC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001173438103 808634604 /nfs/dbraw/zinc/63/46/04/808634604.db2.gz WTPFFVRREROWOD-CQSZACIVSA-N 1 2 280.412 3.314 20 30 CGEDLO N#Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1O ZINC001213089853 815231190 /nfs/dbraw/zinc/23/11/90/815231190.db2.gz HWXHULICXOKIBW-UHFFFAOYSA-N 1 2 276.299 3.398 20 30 CGEDLO C#Cc1cc(Nc2cc(C(C)C)ccc2OC)cc[nH+]1 ZINC001173917237 808758886 /nfs/dbraw/zinc/75/88/86/808758886.db2.gz FTDQBGULOQZFHX-UHFFFAOYSA-N 1 2 266.344 3.360 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001276376636 809004655 /nfs/dbraw/zinc/00/46/55/809004655.db2.gz NQHHBOWCPCLQKR-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)cc2)cc[nH+]1 ZINC001174769215 809160291 /nfs/dbraw/zinc/16/02/91/809160291.db2.gz GBKKLLVLDZPKGZ-UHFFFAOYSA-N 1 2 262.234 3.247 20 30 CGEDLO N#Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)c(N)c1 ZINC001213353552 815268279 /nfs/dbraw/zinc/26/82/79/815268279.db2.gz CIMDGDZLFBSNKD-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(OCC(C)C)c2)cc[nH+]1 ZINC001175058963 809255430 /nfs/dbraw/zinc/25/54/30/809255430.db2.gz KGPBZOMLYNJSGT-UHFFFAOYSA-N 1 2 284.334 3.402 20 30 CGEDLO Cc1cc(C)c(Nc2ccc(N(C)C)[nH+]c2)cc1C#N ZINC001175343563 809368283 /nfs/dbraw/zinc/36/82/83/809368283.db2.gz IKGGALOENWGXFA-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO CN(C)c1ccc(Nc2cc(C#N)ccc2Cl)c[nH+]1 ZINC001175343366 809368482 /nfs/dbraw/zinc/36/84/82/809368482.db2.gz GYLMZQZINTWBQQ-UHFFFAOYSA-N 1 2 272.739 3.416 20 30 CGEDLO Cc1cc(C)c(Nc2c(C#N)cnn2C(C)C)c[nH+]1 ZINC001213507938 815293664 /nfs/dbraw/zinc/29/36/64/815293664.db2.gz HRWURDQOHOVHRL-UHFFFAOYSA-N 1 2 255.325 3.091 20 30 CGEDLO C#CCOc1ccc(Nc2c[nH+]c(C)cc2C)cc1 ZINC001213518564 815296530 /nfs/dbraw/zinc/29/65/30/815296530.db2.gz VLGOAKCLNXZDFQ-UHFFFAOYSA-N 1 2 252.317 3.454 20 30 CGEDLO Nc1ccccc1C(NO)=[NH+]c1cnn(C2CCCCC2)c1 ZINC001175885368 809563891 /nfs/dbraw/zinc/56/38/91/809563891.db2.gz XFAXPEJNKYYWQR-UHFFFAOYSA-N 1 2 299.378 3.028 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(Cl)cc1C#N ZINC001176123222 809628599 /nfs/dbraw/zinc/62/85/99/809628599.db2.gz QQGRXWZCXYMLES-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001176122771 809628988 /nfs/dbraw/zinc/62/89/88/809628988.db2.gz HIEVBSTZHOQSOT-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC001176833576 809764234 /nfs/dbraw/zinc/76/42/34/809764234.db2.gz XLXQXCAOLPCMSV-OAHLLOKOSA-N 1 2 296.370 3.338 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC001176833576 809764239 /nfs/dbraw/zinc/76/42/39/809764239.db2.gz XLXQXCAOLPCMSV-OAHLLOKOSA-N 1 2 296.370 3.338 20 30 CGEDLO C#CC1(Nc2nc3ccccc3n3c[nH+]cc23)CCCC1 ZINC001187430922 810400153 /nfs/dbraw/zinc/40/01/53/810400153.db2.gz SYNKAFPYIGMRKD-UHFFFAOYSA-N 1 2 276.343 3.240 20 30 CGEDLO C=C(C)C[NH2+][C@](C)(CCCCCC)C(=O)OCC ZINC001191101286 810674969 /nfs/dbraw/zinc/67/49/69/810674969.db2.gz VUDRWEZAPKRVDE-OAHLLOKOSA-N 1 2 255.402 3.444 20 30 CGEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001191122245 810679816 /nfs/dbraw/zinc/67/98/16/810679816.db2.gz VTTIAQTUABJPJV-UHFFFAOYSA-N 1 2 292.427 3.063 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(C#N)ccc2F)c[nH+]1 ZINC001214596104 815428746 /nfs/dbraw/zinc/42/87/46/815428746.db2.gz OFRYTXMKUSZTMG-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO CC#CC[N@@H+]1CCc2cc(C)cc(Br)c2C1 ZINC001196869014 811376048 /nfs/dbraw/zinc/37/60/48/811376048.db2.gz FFGIGFFKMVXIDD-UHFFFAOYSA-N 1 2 278.193 3.139 20 30 CGEDLO CC#CC[N@H+]1CCc2cc(C)cc(Br)c2C1 ZINC001196869014 811376057 /nfs/dbraw/zinc/37/60/57/811376057.db2.gz FFGIGFFKMVXIDD-UHFFFAOYSA-N 1 2 278.193 3.139 20 30 CGEDLO C=CCC1(C(=O)N2CCC[N@@H+](CCF)CC2)CCCCC1 ZINC001198221697 811484820 /nfs/dbraw/zinc/48/48/20/811484820.db2.gz NOIPFKYKYKBKAI-UHFFFAOYSA-N 1 2 296.430 3.017 20 30 CGEDLO C=CCC1(C(=O)N2CCC[N@H+](CCF)CC2)CCCCC1 ZINC001198221697 811484824 /nfs/dbraw/zinc/48/48/24/811484824.db2.gz NOIPFKYKYKBKAI-UHFFFAOYSA-N 1 2 296.430 3.017 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001198526827 811511498 /nfs/dbraw/zinc/51/14/98/811511498.db2.gz VJIUYEGRLQFIFC-CYBMUJFWSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001198526827 811511502 /nfs/dbraw/zinc/51/15/02/811511502.db2.gz VJIUYEGRLQFIFC-CYBMUJFWSA-N 1 2 251.732 3.467 20 30 CGEDLO CCOc1cc[nH+]cc1NC=Cc1ccc(C#N)cc1 ZINC001203298914 812301544 /nfs/dbraw/zinc/30/15/44/812301544.db2.gz UWIYZDIFCZSPKL-JXMROGBWSA-N 1 2 265.316 3.435 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1ccc(C)[nH+]c1C ZINC001203376840 812331435 /nfs/dbraw/zinc/33/14/35/812331435.db2.gz UDHZWPXVRCNCAQ-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO COc1cc(C#N)cc(Nc2ccc(C)[nH+]c2C)c1 ZINC001203381385 812335047 /nfs/dbraw/zinc/33/50/47/812335047.db2.gz WHEAFPNHCYMCJT-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CNc1ccc(Nc2ccc(C#N)c3ncccc23)c[nH+]1 ZINC001203464452 812370239 /nfs/dbraw/zinc/37/02/39/812370239.db2.gz AVBUDDYZRQISMB-UHFFFAOYSA-N 1 2 275.315 3.287 20 30 CGEDLO C#Cc1cc(Nc2cc(OC(C)C)ccc2C)cc[nH+]1 ZINC001215583807 815542659 /nfs/dbraw/zinc/54/26/59/815542659.db2.gz XPSRFFHPEOHJDJ-UHFFFAOYSA-N 1 2 266.344 3.324 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCCC[C@H](F)C2)ccc1F ZINC001205459421 812986725 /nfs/dbraw/zinc/98/67/25/812986725.db2.gz RCXVVFCRHWOSTI-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccc1F ZINC001205459421 812986733 /nfs/dbraw/zinc/98/67/33/812986733.db2.gz RCXVVFCRHWOSTI-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209927276 814201822 /nfs/dbraw/zinc/20/18/22/814201822.db2.gz PJJJHKXKDALPEK-UHFFFAOYSA-N 1 2 293.370 3.134 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc([C@@H](C)C#N)cc2)cc1N ZINC001210287962 814383247 /nfs/dbraw/zinc/38/32/47/814383247.db2.gz JLUMKWWFJJOIKU-JTQLQIEISA-N 1 2 252.321 3.343 20 30 CGEDLO C[C@H]1CC(=O)C=C(Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001210769767 814616231 /nfs/dbraw/zinc/61/62/31/814616231.db2.gz FPEPTSYVNXDHQH-GFCCVEGCSA-N 1 2 267.332 3.167 20 30 CGEDLO CCc1cc(Nc2[nH+]cc(O)cc2C)ccc1C#N ZINC001216313149 815775702 /nfs/dbraw/zinc/77/57/02/815775702.db2.gz DVQFPTLCVDTJGI-UHFFFAOYSA-N 1 2 253.305 3.273 20 30 CGEDLO CCCCCCCCCC[C@H](C)OC[C@H]([NH3+])C(=O)OC ZINC001217891901 815991409 /nfs/dbraw/zinc/99/14/09/815991409.db2.gz BZZNYCIKVPGXCM-GJZGRUSLSA-N 1 2 287.444 3.423 20 30 CGEDLO Cc1cc(C#N)cc(Cl)c1OC1C[NH+](C(C)(C)C)C1 ZINC001226594738 817407964 /nfs/dbraw/zinc/40/79/64/817407964.db2.gz DCIPQBBFYQYRKE-UHFFFAOYSA-N 1 2 278.783 3.382 20 30 CGEDLO C#C[C@H](Oc1cc2c(cc1OC)CC[NH+]=C2)c1ccccc1 ZINC001228086902 817808313 /nfs/dbraw/zinc/80/83/13/817808313.db2.gz CNDGKBONDDVJCF-KRWDZBQOSA-N 1 2 291.350 3.424 20 30 CGEDLO CN(C)c1ccc2cc(C[N@H+](C)CCC#N)ccc2c1 ZINC001231437202 818098132 /nfs/dbraw/zinc/09/81/32/818098132.db2.gz RYGLNPHAKZPDFV-UHFFFAOYSA-N 1 2 267.376 3.251 20 30 CGEDLO CN(C)c1ccc2cc(C[N@@H+](C)CCC#N)ccc2c1 ZINC001231437202 818098143 /nfs/dbraw/zinc/09/81/43/818098143.db2.gz RYGLNPHAKZPDFV-UHFFFAOYSA-N 1 2 267.376 3.251 20 30 CGEDLO C#Cc1cccc(C[N@H+]2Cc3ccc(F)cc3C2)c1 ZINC001231663213 818153277 /nfs/dbraw/zinc/15/32/77/818153277.db2.gz OFGFPZQCPYAQHX-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2Cc3ccc(F)cc3C2)c1 ZINC001231663213 818153281 /nfs/dbraw/zinc/15/32/81/818153281.db2.gz OFGFPZQCPYAQHX-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231733753 818160928 /nfs/dbraw/zinc/16/09/28/818160928.db2.gz GDXXWDSMWHSPFJ-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231733753 818160930 /nfs/dbraw/zinc/16/09/30/818160930.db2.gz GDXXWDSMWHSPFJ-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001231812699 818183364 /nfs/dbraw/zinc/18/33/64/818183364.db2.gz FYTXUPMFTVLJEC-ZDUSSCGKSA-N 1 2 252.317 3.292 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001231812699 818183366 /nfs/dbraw/zinc/18/33/66/818183366.db2.gz FYTXUPMFTVLJEC-ZDUSSCGKSA-N 1 2 252.317 3.292 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@H]1F ZINC001232112188 818258498 /nfs/dbraw/zinc/25/84/98/818258498.db2.gz QLKLLHVDUPWPHS-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)C[C@@H]1F ZINC001232112188 818258502 /nfs/dbraw/zinc/25/85/02/818258502.db2.gz QLKLLHVDUPWPHS-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1nc3ccccc3o1)CC2 ZINC001232555442 818385472 /nfs/dbraw/zinc/38/54/72/818385472.db2.gz ZYEMRGLYSKSJMW-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1nc3ccccc3o1)CC2 ZINC001232555442 818385477 /nfs/dbraw/zinc/38/54/77/818385477.db2.gz ZYEMRGLYSKSJMW-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001232674249 818415440 /nfs/dbraw/zinc/41/54/40/818415440.db2.gz UNFOAIFBEFARLO-INIZCTEOSA-N 1 2 278.355 3.253 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001232674249 818415443 /nfs/dbraw/zinc/41/54/43/818415443.db2.gz UNFOAIFBEFARLO-INIZCTEOSA-N 1 2 278.355 3.253 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001232677275 818416701 /nfs/dbraw/zinc/41/67/01/818416701.db2.gz DQNIFIJTPUMBBE-HNNXBMFYSA-N 1 2 288.366 3.368 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001232677328 818417072 /nfs/dbraw/zinc/41/70/72/818417072.db2.gz AXIXLRZNZULFJB-ZBFHGGJFSA-N 1 2 270.376 3.418 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001232677328 818417077 /nfs/dbraw/zinc/41/70/77/818417077.db2.gz AXIXLRZNZULFJB-ZBFHGGJFSA-N 1 2 270.376 3.418 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001232679088 818418149 /nfs/dbraw/zinc/41/81/49/818418149.db2.gz ZVURCJMBYONCTA-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001232679088 818418152 /nfs/dbraw/zinc/41/81/52/818418152.db2.gz ZVURCJMBYONCTA-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccnc(Cl)c1C ZINC001232753425 818434238 /nfs/dbraw/zinc/43/42/38/818434238.db2.gz ZKEADSMRMZDNRN-UHFFFAOYSA-N 1 2 251.761 3.169 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccnc(Cl)c1C ZINC001232753425 818434241 /nfs/dbraw/zinc/43/42/41/818434241.db2.gz ZKEADSMRMZDNRN-UHFFFAOYSA-N 1 2 251.761 3.169 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001232889623 818466509 /nfs/dbraw/zinc/46/65/09/818466509.db2.gz LVYMFQSIUGZHKW-BETUJISGSA-N 1 2 280.293 3.174 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001232889623 818466515 /nfs/dbraw/zinc/46/65/15/818466515.db2.gz LVYMFQSIUGZHKW-BETUJISGSA-N 1 2 280.293 3.174 20 30 CGEDLO CC[N@H+](Cc1ccncc1)Cc1ccc(C)cc1C#N ZINC001232961876 818484365 /nfs/dbraw/zinc/48/43/65/818484365.db2.gz HLJMUVZSRLDVAQ-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(C)cc1C#N ZINC001232961876 818484371 /nfs/dbraw/zinc/48/43/71/818484371.db2.gz HLJMUVZSRLDVAQ-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1cc(Cl)ncc1O ZINC001233039256 818506821 /nfs/dbraw/zinc/50/68/21/818506821.db2.gz RMQIIOWBGWKIOX-UHFFFAOYSA-N 1 2 254.761 3.229 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1cc(Cl)ncc1O ZINC001233039256 818506825 /nfs/dbraw/zinc/50/68/25/818506825.db2.gz RMQIIOWBGWKIOX-UHFFFAOYSA-N 1 2 254.761 3.229 20 30 CGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001233045287 818509093 /nfs/dbraw/zinc/50/90/93/818509093.db2.gz RWKVBPWIGFZJPY-UHFFFAOYSA-N 1 2 299.349 3.069 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001233336476 818587596 /nfs/dbraw/zinc/58/75/96/818587596.db2.gz NCPJKIQBMRMNJE-UHFFFAOYSA-N 1 2 289.379 3.379 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001233336476 818587601 /nfs/dbraw/zinc/58/76/01/818587601.db2.gz NCPJKIQBMRMNJE-UHFFFAOYSA-N 1 2 289.379 3.379 20 30 CGEDLO N#CCCN(Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC001233360473 818597248 /nfs/dbraw/zinc/59/72/48/818597248.db2.gz OZFBIAJESQSWQF-UHFFFAOYSA-N 1 2 290.370 3.250 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)c1O ZINC001233400336 818610960 /nfs/dbraw/zinc/61/09/60/818610960.db2.gz DVSVHHWGFZUOJT-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1O ZINC001233400336 818610965 /nfs/dbraw/zinc/61/09/65/818610965.db2.gz DVSVHHWGFZUOJT-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2sc(C)nc2c1 ZINC001235865808 819190527 /nfs/dbraw/zinc/19/05/27/819190527.db2.gz MTEHBPCBQBVTIC-UHFFFAOYSA-N 1 2 259.378 3.340 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2sc(C)nc2c1 ZINC001235865808 819190531 /nfs/dbraw/zinc/19/05/31/819190531.db2.gz MTEHBPCBQBVTIC-UHFFFAOYSA-N 1 2 259.378 3.340 20 30 CGEDLO COc1ccc(C#N)cc1-c1ccc2[nH+]ccn2c1C ZINC001236545658 819531243 /nfs/dbraw/zinc/53/12/43/819531243.db2.gz OCNVDHYSPMYOFN-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COC(=[NH2+])c1cccc(-c2cc(C#N)ccc2OC)c1 ZINC001236546253 819532021 /nfs/dbraw/zinc/53/20/21/819532021.db2.gz CWULZZYFWHQLQD-UHFFFAOYSA-N 1 2 266.300 3.206 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237102740 819667209 /nfs/dbraw/zinc/66/72/09/819667209.db2.gz MSXTYVBPIWFFDB-KRWDZBQOSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237102740 819667213 /nfs/dbraw/zinc/66/72/13/819667213.db2.gz MSXTYVBPIWFFDB-KRWDZBQOSA-N 1 2 287.382 3.161 20 30 CGEDLO CC[N@H+](Cc1ccncc1)Cc1cc(C#N)c(F)cc1F ZINC001237531897 819774439 /nfs/dbraw/zinc/77/44/39/819774439.db2.gz MMRJBMXKUMNQER-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1ccncc1)Cc1cc(C#N)c(F)cc1F ZINC001237531897 819774448 /nfs/dbraw/zinc/77/44/48/819774448.db2.gz MMRJBMXKUMNQER-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO C/C(=N\O)c1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001240517842 821115161 /nfs/dbraw/zinc/11/51/61/821115161.db2.gz ILXYUVCNTZWXHX-GZTJUZNOSA-N 1 2 251.289 3.200 20 30 CGEDLO CCc1cncc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001241380997 821780903 /nfs/dbraw/zinc/78/09/03/821780903.db2.gz WTQSRHJVPBPIKG-UDWIEESQSA-N 1 2 278.359 3.404 20 30 CGEDLO CCCn1nc(C)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001241765058 822135381 /nfs/dbraw/zinc/13/53/81/822135381.db2.gz JERLXAHOLGEDFZ-XDHOZWIPSA-N 1 2 295.390 3.362 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(C#N)cc1C ZINC001242474419 823005075 /nfs/dbraw/zinc/00/50/75/823005075.db2.gz NTKIMCPMTVJCNK-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1ccc(C#N)cc1-c1c[nH+]c(N2CCOCC2)cc1C ZINC001242542069 823024743 /nfs/dbraw/zinc/02/47/43/823024743.db2.gz WITLQQRSWYFYIC-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C[C@@H](O)c1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001242548360 823027306 /nfs/dbraw/zinc/02/73/06/823027306.db2.gz BVBXHNRAPADSFN-HMHKGCENSA-N 1 2 293.370 3.500 20 30 CGEDLO COc1ccc(C#N)cc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC001351782549 937025475 /nfs/dbraw/zinc/02/54/75/937025475.db2.gz SMKZWDYCPCLGJJ-UHFFFAOYSA-N 1 2 269.348 3.109 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC(C)C)C1 ZINC001481756549 927081478 /nfs/dbraw/zinc/08/14/78/927081478.db2.gz MOTQTOFKXRPIEZ-CQSZACIVSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC(C)C)C1 ZINC001481756549 927081491 /nfs/dbraw/zinc/08/14/91/927081491.db2.gz MOTQTOFKXRPIEZ-CQSZACIVSA-N 1 2 286.847 3.098 20 30 CGEDLO Cc1cccc2cc(C[NH2+]C[C@H](C)C#N)c(Cl)nc12 ZINC001560616019 937214814 /nfs/dbraw/zinc/21/48/14/937214814.db2.gz KTDOLPNKNAPUGP-SNVBAGLBSA-N 1 2 273.767 3.446 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001491206564 928844213 /nfs/dbraw/zinc/84/42/13/928844213.db2.gz OPYADBCXSQHCJQ-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001491206564 928844209 /nfs/dbraw/zinc/84/42/09/928844209.db2.gz OPYADBCXSQHCJQ-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C[N@H+](Cc1cscn1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115312 931956234 /nfs/dbraw/zinc/95/62/34/931956234.db2.gz UNVSDTPMAKHEMT-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@@H+](Cc1cscn1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115312 931956236 /nfs/dbraw/zinc/95/62/36/931956236.db2.gz UNVSDTPMAKHEMT-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C#C[C@H](CCC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084104 932675901 /nfs/dbraw/zinc/67/59/01/932675901.db2.gz WSCMDTXUIDMFFW-CQSZACIVSA-N 1 2 254.333 3.268 20 30 CGEDLO N#Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001249707263 932716722 /nfs/dbraw/zinc/71/67/22/932716722.db2.gz XNLRSLOGRWICDX-UHFFFAOYSA-N 1 2 260.300 3.488 20 30 CGEDLO C=C(C)CCC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001303608838 932828374 /nfs/dbraw/zinc/82/83/74/932828374.db2.gz LJHOPXOJPCGDJZ-ZDUSSCGKSA-N 1 2 261.369 3.046 20 30 CGEDLO C[C@@H]([NH2+]Cc1c(F)cncc1F)c1cccc(C#N)c1 ZINC001308067113 933043475 /nfs/dbraw/zinc/04/34/75/933043475.db2.gz ZGQXDPUVIWFTKE-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccc(Cl)c(F)c2)n1 ZINC001308537499 933127066 /nfs/dbraw/zinc/12/70/66/933127066.db2.gz VFTJQGAICVESOQ-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308768774 933172290 /nfs/dbraw/zinc/17/22/90/933172290.db2.gz AROXMHUGPWMUDD-RDJZCZTQSA-N 1 2 289.419 3.414 20 30 CGEDLO C=CCC[C@H]([NH2+]CC1(OC)CCCCCC1)C(=O)OCC ZINC001308769006 933173766 /nfs/dbraw/zinc/17/37/66/933173766.db2.gz BXEFNVLLARLAFO-HNNXBMFYSA-N 1 2 297.439 3.213 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(F)cc(F)c1O ZINC001308958799 933212911 /nfs/dbraw/zinc/21/29/11/933212911.db2.gz PXHHADMDIMZJIQ-UHFFFAOYSA-N 1 2 294.326 3.236 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(F)cc(F)c1O ZINC001308958799 933212917 /nfs/dbraw/zinc/21/29/17/933212917.db2.gz PXHHADMDIMZJIQ-UHFFFAOYSA-N 1 2 294.326 3.236 20 30 CGEDLO C[N@H+](Cc1cncc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC001473308362 937801342 /nfs/dbraw/zinc/80/13/42/937801342.db2.gz WIXOIBCLKYGVAE-UHFFFAOYSA-N 1 2 291.276 3.003 20 30 CGEDLO C[N@@H+](Cc1cncc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC001473308362 937801344 /nfs/dbraw/zinc/80/13/44/937801344.db2.gz WIXOIBCLKYGVAE-UHFFFAOYSA-N 1 2 291.276 3.003 20 30 CGEDLO Cc1c[nH+]c2ccccc2c1NCC1(C#N)CCC1 ZINC001325346271 934906953 /nfs/dbraw/zinc/90/69/53/934906953.db2.gz MVKRWESRSXGOGW-UHFFFAOYSA-N 1 2 251.333 3.071 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccc(C)cc1)C(=O)OCC ZINC001326380543 934975534 /nfs/dbraw/zinc/97/55/34/934975534.db2.gz IBZSJXHWYQGRJO-WBVHZDCISA-N 1 2 289.419 3.414 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cc(F)ccc1F ZINC001328934482 935175567 /nfs/dbraw/zinc/17/55/67/935175567.db2.gz IWEGVDVIGSFCRA-VMPITWQZSA-N 1 2 288.297 3.322 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cc(CC)ccn1 ZINC001330665251 935310581 /nfs/dbraw/zinc/31/05/81/935310581.db2.gz LTZLWWFOGRNLOZ-UHFFFAOYSA-N 1 2 295.386 3.443 20 30 CGEDLO Cc1[nH]c(/C=C2/C(=O)c3c(c(C)ccc3O)[C@@H]2C)[nH+]c1C ZINC001331949556 935425257 /nfs/dbraw/zinc/42/52/57/935425257.db2.gz VLYHBQIKLQAFKE-SZJBZFAYSA-N 1 2 282.343 3.424 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](C)CCCC)CC1 ZINC001333327762 935525701 /nfs/dbraw/zinc/52/57/01/935525701.db2.gz IXRKYWAUPLIVSP-CYBMUJFWSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](C)CCCC)CC1 ZINC001333327762 935525706 /nfs/dbraw/zinc/52/57/06/935525706.db2.gz IXRKYWAUPLIVSP-CYBMUJFWSA-N 1 2 298.858 3.314 20 30 CGEDLO COc1c(C)c[nH+]c(CSCc2cc(C#N)ccn2)c1C ZINC001336252086 936183873 /nfs/dbraw/zinc/18/38/73/936183873.db2.gz AORHXKCWBKOUON-UHFFFAOYSA-N 1 2 299.399 3.407 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001473764648 937821090 /nfs/dbraw/zinc/82/10/90/937821090.db2.gz ONQURZMZIHXJDH-INIZCTEOSA-N 1 2 278.359 3.075 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001473764648 937821092 /nfs/dbraw/zinc/82/10/92/937821092.db2.gz ONQURZMZIHXJDH-INIZCTEOSA-N 1 2 278.359 3.075 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC001474250638 937846326 /nfs/dbraw/zinc/84/63/26/937846326.db2.gz GYRDKEFXXVSWLZ-ZDUSSCGKSA-N 1 2 285.416 3.320 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001496819590 937964332 /nfs/dbraw/zinc/96/43/32/937964332.db2.gz MTVBCDGANGDKJI-AWEZNQCLSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001496819590 937964333 /nfs/dbraw/zinc/96/43/33/937964333.db2.gz MTVBCDGANGDKJI-AWEZNQCLSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ccccc1)C(C)C ZINC001507745735 937996694 /nfs/dbraw/zinc/99/66/94/937996694.db2.gz WBVFQJZLGSMZOX-UHFFFAOYSA-N 1 2 294.826 3.222 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1ccccc1)C(C)C ZINC001507745735 937996695 /nfs/dbraw/zinc/99/66/95/937996695.db2.gz WBVFQJZLGSMZOX-UHFFFAOYSA-N 1 2 294.826 3.222 20 30 CGEDLO CC(C)(COC(=O)CC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC001515894455 938007724 /nfs/dbraw/zinc/00/77/24/938007724.db2.gz HQCLPVAXJZZETF-UHFFFAOYSA-N 1 2 289.379 3.026 20 30 CGEDLO CN1CCN(CC#Cc2cccc(Cl)c2)c2ccc[nH+]c21 ZINC001559718658 938233404 /nfs/dbraw/zinc/23/34/04/938233404.db2.gz SDHGQWXACKMOFS-UHFFFAOYSA-N 1 2 297.789 3.043 20 30 CGEDLO Cc1cccc2cc(C[NH2+]C[C@@H](C)C#N)c(Cl)nc12 ZINC001560616018 938265813 /nfs/dbraw/zinc/26/58/13/938265813.db2.gz KTDOLPNKNAPUGP-JTQLQIEISA-N 1 2 273.767 3.446 20 30 CGEDLO C[C@H]1Cc2cc(C[N@@H+]3Cc4ccc(C#N)cc4C3)ccc2O1 ZINC001560905453 938282817 /nfs/dbraw/zinc/28/28/17/938282817.db2.gz BLFMBFAPHWALLC-ZDUSSCGKSA-N 1 2 290.366 3.397 20 30 CGEDLO C[C@H]1Cc2cc(C[N@H+]3Cc4ccc(C#N)cc4C3)ccc2O1 ZINC001560905453 938282818 /nfs/dbraw/zinc/28/28/18/938282818.db2.gz BLFMBFAPHWALLC-ZDUSSCGKSA-N 1 2 290.366 3.397 20 30 CGEDLO C=CCC1(O)C[NH+](Cc2cc3cccc(CC)c3o2)C1 ZINC001561048898 938291691 /nfs/dbraw/zinc/29/16/91/938291691.db2.gz HRGSWFLBYDXNTJ-UHFFFAOYSA-N 1 2 271.360 3.118 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001567342176 961299567 /nfs/dbraw/zinc/29/95/67/961299567.db2.gz BNANMBGGBYREEV-GXTWGEPZSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001567342176 961299581 /nfs/dbraw/zinc/29/95/81/961299581.db2.gz BNANMBGGBYREEV-GXTWGEPZSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC001569123451 961702566 /nfs/dbraw/zinc/70/25/66/961702566.db2.gz WHHTVBOJYWCWOV-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC001569123451 961702579 /nfs/dbraw/zinc/70/25/79/961702579.db2.gz WHHTVBOJYWCWOV-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(CCC)CCC1 ZINC001570730080 962053529 /nfs/dbraw/zinc/05/35/29/962053529.db2.gz ISBICKDPZWRGCK-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(CCC)CCC1 ZINC001570730080 962053548 /nfs/dbraw/zinc/05/35/48/962053548.db2.gz ISBICKDPZWRGCK-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001570745943 962068544 /nfs/dbraw/zinc/06/85/44/962068544.db2.gz OCPZIFICPSAVAM-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001570745943 962068560 /nfs/dbraw/zinc/06/85/60/962068560.db2.gz OCPZIFICPSAVAM-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000589990870 346820909 /nfs/dbraw/zinc/82/09/09/346820909.db2.gz HCBWPBLIAFVSPT-HNNXBMFYSA-N 1 2 261.369 3.061 20 30 CGEDLO CCCc1nc(C)c(C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000589990870 346820913 /nfs/dbraw/zinc/82/09/13/346820913.db2.gz HCBWPBLIAFVSPT-HNNXBMFYSA-N 1 2 261.369 3.061 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638835 346857923 /nfs/dbraw/zinc/85/79/23/346857923.db2.gz CWYAXYAJQWTJLQ-SECBINFHSA-N 1 2 263.728 3.215 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638807 346857793 /nfs/dbraw/zinc/85/77/93/346857793.db2.gz QRUIZMUWVZTLPP-VIFPVBQESA-N 1 2 263.728 3.073 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638807 346857796 /nfs/dbraw/zinc/85/77/96/346857796.db2.gz QRUIZMUWVZTLPP-VIFPVBQESA-N 1 2 263.728 3.073 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638835 346857920 /nfs/dbraw/zinc/85/79/20/346857920.db2.gz CWYAXYAJQWTJLQ-SECBINFHSA-N 1 2 263.728 3.215 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000590715599 346867072 /nfs/dbraw/zinc/86/70/72/346867072.db2.gz SLADFCKWZLXZFC-QGZVFWFLSA-N 1 2 270.376 3.353 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000590715599 346867077 /nfs/dbraw/zinc/86/70/77/346867077.db2.gz SLADFCKWZLXZFC-QGZVFWFLSA-N 1 2 270.376 3.353 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccccc1C#N ZINC000127923964 187340786 /nfs/dbraw/zinc/34/07/86/187340786.db2.gz SQTULZSNYMOLLR-CYBMUJFWSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccccc1C#N ZINC000127923964 187340787 /nfs/dbraw/zinc/34/07/87/187340787.db2.gz SQTULZSNYMOLLR-CYBMUJFWSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccncc1C#N ZINC000592058644 346958023 /nfs/dbraw/zinc/95/80/23/346958023.db2.gz JFQKCXXDBWHOFK-ZDUSSCGKSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592058644 346958025 /nfs/dbraw/zinc/95/80/25/346958025.db2.gz JFQKCXXDBWHOFK-ZDUSSCGKSA-N 1 2 251.333 3.146 20 30 CGEDLO N#Cc1cnccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000592099644 346962714 /nfs/dbraw/zinc/96/27/14/346962714.db2.gz RYCIWAMAOJCZDQ-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO COCC[N@H+](Cc1ccncc1C#N)[C@@H](C)c1ccccc1 ZINC000592068330 346959705 /nfs/dbraw/zinc/95/97/05/346959705.db2.gz XOJOKDDUJLDUJX-HNNXBMFYSA-N 1 2 295.386 3.163 20 30 CGEDLO COCC[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1ccccc1 ZINC000592068330 346959706 /nfs/dbraw/zinc/95/97/06/346959706.db2.gz XOJOKDDUJLDUJX-HNNXBMFYSA-N 1 2 295.386 3.163 20 30 CGEDLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151040 346966712 /nfs/dbraw/zinc/96/67/12/346966712.db2.gz JOQGPBOTHHRZNI-QMTHXVAHSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151040 346966715 /nfs/dbraw/zinc/96/67/15/346966715.db2.gz JOQGPBOTHHRZNI-QMTHXVAHSA-N 1 2 299.201 3.405 20 30 CGEDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592105506 346963724 /nfs/dbraw/zinc/96/37/24/346963724.db2.gz GYKUVFZESVTKCA-MRXNPFEDSA-N 1 2 297.358 3.030 20 30 CGEDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592105506 346963727 /nfs/dbraw/zinc/96/37/27/346963727.db2.gz GYKUVFZESVTKCA-MRXNPFEDSA-N 1 2 297.358 3.030 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593007749 347026526 /nfs/dbraw/zinc/02/65/26/347026526.db2.gz OUQFINDXQMAUAT-UHFFFAOYSA-N 1 2 285.303 3.082 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593007749 347026529 /nfs/dbraw/zinc/02/65/29/347026529.db2.gz OUQFINDXQMAUAT-UHFFFAOYSA-N 1 2 285.303 3.082 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)no1 ZINC000027880173 344912139 /nfs/dbraw/zinc/91/21/39/344912139.db2.gz UJGVRLUANJFKLT-MRXNPFEDSA-N 1 2 267.332 3.192 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)no1 ZINC000027880173 344912141 /nfs/dbraw/zinc/91/21/41/344912141.db2.gz UJGVRLUANJFKLT-MRXNPFEDSA-N 1 2 267.332 3.192 20 30 CGEDLO N#Cc1c(F)cccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000042926728 344990416 /nfs/dbraw/zinc/99/04/16/344990416.db2.gz ZJNXOXXYWLSQRL-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO Cc1ccc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cn2c1 ZINC000045915349 345031837 /nfs/dbraw/zinc/03/18/37/345031837.db2.gz INXHDFSIJMXMIW-UHFFFAOYSA-N 1 2 290.370 3.146 20 30 CGEDLO Cc1ccc2nc(C[N@H+](C)Cc3cccc(C#N)c3)cn2c1 ZINC000045915349 345031839 /nfs/dbraw/zinc/03/18/39/345031839.db2.gz INXHDFSIJMXMIW-UHFFFAOYSA-N 1 2 290.370 3.146 20 30 CGEDLO CC(C)[N@H+](Cc1ccccn1)Cc1ccccc1C#N ZINC000048273692 345064111 /nfs/dbraw/zinc/06/41/11/345064111.db2.gz VXVZVVQBKDLNSG-UHFFFAOYSA-N 1 2 265.360 3.364 20 30 CGEDLO CC(C)[N@@H+](Cc1ccccn1)Cc1ccccc1C#N ZINC000048273692 345064115 /nfs/dbraw/zinc/06/41/15/345064115.db2.gz VXVZVVQBKDLNSG-UHFFFAOYSA-N 1 2 265.360 3.364 20 30 CGEDLO N#Cc1c(Cl)nsc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000092666277 345851352 /nfs/dbraw/zinc/85/13/52/345851352.db2.gz GSVIXXRNXVVGNE-SECBINFHSA-N 1 2 293.783 3.123 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000125960758 346020712 /nfs/dbraw/zinc/02/07/12/346020712.db2.gz SFPRIHKCLMDUEZ-ZBFHGGJFSA-N 1 2 275.392 3.105 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000130391351 346057060 /nfs/dbraw/zinc/05/70/60/346057060.db2.gz ISCNYKZZXCEIOS-ZDUSSCGKSA-N 1 2 257.362 3.278 20 30 CGEDLO Cc1ccc(C[NH2+][C@@H](C)CC#N)c(Br)c1 ZINC000134975107 346084948 /nfs/dbraw/zinc/08/49/48/346084948.db2.gz YSHVBXJLCMRQBU-JTQLQIEISA-N 1 2 267.170 3.149 20 30 CGEDLO Cc1ccoc1CNc1[nH+]cccc1OCCCC#N ZINC000162246451 346178089 /nfs/dbraw/zinc/17/80/89/346178089.db2.gz SMTDBZUCQCUKAC-UHFFFAOYSA-N 1 2 271.320 3.278 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOc3ccccc3C2)ccc1F ZINC000229748967 346318536 /nfs/dbraw/zinc/31/85/36/346318536.db2.gz SWFFSNVEWMFKRB-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOc3ccccc3C2)ccc1F ZINC000229748967 346318539 /nfs/dbraw/zinc/31/85/39/346318539.db2.gz SWFFSNVEWMFKRB-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000309618977 346469532 /nfs/dbraw/zinc/46/95/32/346469532.db2.gz GEVGMJVEHYAHFU-UHFFFAOYSA-N 1 2 299.599 3.496 20 30 CGEDLO C=CCCCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000531120029 346646316 /nfs/dbraw/zinc/64/63/16/346646316.db2.gz ZYEBEOZAMMGSOW-UHFFFAOYSA-N 1 2 257.337 3.177 20 30 CGEDLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000587989146 346744116 /nfs/dbraw/zinc/74/41/16/346744116.db2.gz PNLDHYWOLGZKBY-CYBMUJFWSA-N 1 2 293.374 3.122 20 30 CGEDLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000587989146 346744119 /nfs/dbraw/zinc/74/41/19/346744119.db2.gz PNLDHYWOLGZKBY-CYBMUJFWSA-N 1 2 293.374 3.122 20 30 CGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000589510449 346798835 /nfs/dbraw/zinc/79/88/35/346798835.db2.gz FBQDHQKZEUJVSS-DTWKUNHWSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nc(C#N)cs1 ZINC000589510449 346798838 /nfs/dbraw/zinc/79/88/38/346798838.db2.gz FBQDHQKZEUJVSS-DTWKUNHWSA-N 1 2 289.326 3.178 20 30 CGEDLO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)oc1C ZINC000594031006 347140318 /nfs/dbraw/zinc/14/03/18/347140318.db2.gz DIVSXOYOSHYTKG-UHFFFAOYSA-N 1 2 281.359 3.332 20 30 CGEDLO COc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1F ZINC000594981410 347248658 /nfs/dbraw/zinc/24/86/58/347248658.db2.gz OMRVNTAXVVZTON-UHFFFAOYSA-N 1 2 276.355 3.398 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)co1 ZINC000595296706 347288506 /nfs/dbraw/zinc/28/85/06/347288506.db2.gz HGIPSUBMIQICHI-UHFFFAOYSA-N 1 2 269.348 3.265 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)co1 ZINC000595296706 347288510 /nfs/dbraw/zinc/28/85/10/347288510.db2.gz HGIPSUBMIQICHI-UHFFFAOYSA-N 1 2 269.348 3.265 20 30 CGEDLO Cc1ccccc1C(F)(F)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595094525 347281860 /nfs/dbraw/zinc/28/18/60/347281860.db2.gz LGGQOGAWRYEFEE-STQMWFEESA-N 1 2 264.319 3.369 20 30 CGEDLO C[C@H](C#N)[N@H+](CCCc1c(F)cccc1F)C1CC1 ZINC000595710117 347344468 /nfs/dbraw/zinc/34/44/68/347344468.db2.gz LVESRVFLHSNELK-LLVKDONJSA-N 1 2 264.319 3.274 20 30 CGEDLO C[C@H](C#N)[N@@H+](CCCc1c(F)cccc1F)C1CC1 ZINC000595710117 347344470 /nfs/dbraw/zinc/34/44/70/347344470.db2.gz LVESRVFLHSNELK-LLVKDONJSA-N 1 2 264.319 3.274 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1OC(F)F)CC(C)(C)C#N ZINC000595503155 347312114 /nfs/dbraw/zinc/31/21/14/347312114.db2.gz XQESGNXNQRLAEY-UHFFFAOYSA-N 1 2 286.297 3.409 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1OC(F)F)CC(C)(C)C#N ZINC000595503155 347312117 /nfs/dbraw/zinc/31/21/17/347312117.db2.gz XQESGNXNQRLAEY-UHFFFAOYSA-N 1 2 286.297 3.409 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCSc1ccc(F)cc1F ZINC000595502680 347312149 /nfs/dbraw/zinc/31/21/49/347312149.db2.gz VUZRDATYYZTHIU-UHFFFAOYSA-N 1 2 282.359 3.459 20 30 CGEDLO C=CC[N@H+](CCC#N)CCSc1ccc(F)cc1F ZINC000595502680 347312152 /nfs/dbraw/zinc/31/21/52/347312152.db2.gz VUZRDATYYZTHIU-UHFFFAOYSA-N 1 2 282.359 3.459 20 30 CGEDLO CC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@H](C)C#N ZINC000595819466 347360407 /nfs/dbraw/zinc/36/04/07/347360407.db2.gz BARVANLZASSDTM-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO CC[N@@H+](CCc1cccc(OC(F)(F)F)c1)[C@H](C)C#N ZINC000595819466 347360410 /nfs/dbraw/zinc/36/04/10/347360410.db2.gz BARVANLZASSDTM-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000595833294 347362813 /nfs/dbraw/zinc/36/28/13/347362813.db2.gz GEGBDVXDZACBFH-MRXNPFEDSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000595833294 347362814 /nfs/dbraw/zinc/36/28/14/347362814.db2.gz GEGBDVXDZACBFH-MRXNPFEDSA-N 1 2 285.322 3.216 20 30 CGEDLO Cc1nnc(C[N@H+](C)CCC2(C#N)CCCCC2)s1 ZINC000595886593 347370207 /nfs/dbraw/zinc/37/02/07/347370207.db2.gz XCKGZSZXMWIFAM-UHFFFAOYSA-N 1 2 278.425 3.143 20 30 CGEDLO Cc1nnc(C[N@@H+](C)CCC2(C#N)CCCCC2)s1 ZINC000595886593 347370210 /nfs/dbraw/zinc/37/02/10/347370210.db2.gz XCKGZSZXMWIFAM-UHFFFAOYSA-N 1 2 278.425 3.143 20 30 CGEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@@H](C)CC#N)n1 ZINC000596589768 347483397 /nfs/dbraw/zinc/48/33/97/347483397.db2.gz AUFMUULWZKUJRZ-NSHDSACASA-N 1 2 295.346 3.047 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000597203125 347553266 /nfs/dbraw/zinc/55/32/66/347553266.db2.gz FWZOFRGZNMZMLY-UHFFFAOYSA-N 1 2 285.372 3.171 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000597203124 347553354 /nfs/dbraw/zinc/55/33/54/347553354.db2.gz FWOCTPRQWZZNDH-UHFFFAOYSA-N 1 2 297.333 3.358 20 30 CGEDLO N#CCC1C[NH+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000597203932 347554232 /nfs/dbraw/zinc/55/42/32/347554232.db2.gz RDKJDWYLHYREFV-UHFFFAOYSA-N 1 2 290.794 3.474 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)o1 ZINC000597218688 347555929 /nfs/dbraw/zinc/55/59/29/347555929.db2.gz RZNXYHTWMHCTKR-MRXNPFEDSA-N 1 2 298.342 3.098 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)o1 ZINC000597218688 347555930 /nfs/dbraw/zinc/55/59/30/347555930.db2.gz RZNXYHTWMHCTKR-MRXNPFEDSA-N 1 2 298.342 3.098 20 30 CGEDLO CCOc1c(Cl)cc(C[NH+]2CC(CC#N)C2)cc1OC ZINC000597190768 347548069 /nfs/dbraw/zinc/54/80/69/347548069.db2.gz AKCJWNAXQRRFLB-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO Cc1cc(N2CC(Cc3ccsc3)C2)c(C#N)c[nH+]1 ZINC000598642706 347674343 /nfs/dbraw/zinc/67/43/43/347674343.db2.gz FIPXLEJPJJNDPT-UHFFFAOYSA-N 1 2 269.373 3.002 20 30 CGEDLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC#N ZINC000599651245 347762500 /nfs/dbraw/zinc/76/25/00/347762500.db2.gz FAFAJVPUPSHVPU-ZYHUDNBSSA-N 1 2 279.181 3.150 20 30 CGEDLO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC#N ZINC000599651245 347762501 /nfs/dbraw/zinc/76/25/01/347762501.db2.gz FAFAJVPUPSHVPU-ZYHUDNBSSA-N 1 2 279.181 3.150 20 30 CGEDLO N#CC1(C[NH2+]C2(c3c(F)cccc3F)CCC2)CC1 ZINC000599696824 347767528 /nfs/dbraw/zinc/76/75/28/347767528.db2.gz HTRVERMMDCPDPD-UHFFFAOYSA-N 1 2 262.303 3.237 20 30 CGEDLO CCOCCCNc1ccc(-c2ccc(C)cc2C#N)c[nH+]1 ZINC000600778662 347833655 /nfs/dbraw/zinc/83/36/55/347833655.db2.gz ZPLIOKIFCWUFQM-UHFFFAOYSA-N 1 2 295.386 3.189 20 30 CGEDLO CC(C)N(C)c1ccc(-c2ccc(O)c(C#N)c2)c[nH+]1 ZINC000600781028 347834853 /nfs/dbraw/zinc/83/48/53/347834853.db2.gz YGZVGRWQULPHOH-UHFFFAOYSA-N 1 2 267.332 3.170 20 30 CGEDLO N#Cc1cc(F)ccc1-c1ccc(NC[C@@H]2CCCO2)[nH+]c1 ZINC000600789564 347836310 /nfs/dbraw/zinc/83/63/10/347836310.db2.gz SIAKSVHBRGBKCD-HNNXBMFYSA-N 1 2 297.333 3.350 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(OC)s1 ZINC000602464807 347963037 /nfs/dbraw/zinc/96/30/37/347963037.db2.gz GSUPNWUQUIJXAT-UHFFFAOYSA-N 1 2 281.425 3.304 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(OC)s1 ZINC000602464807 347963038 /nfs/dbraw/zinc/96/30/38/347963038.db2.gz GSUPNWUQUIJXAT-UHFFFAOYSA-N 1 2 281.425 3.304 20 30 CGEDLO N#CCC1C[NH+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602710877 348014992 /nfs/dbraw/zinc/01/49/92/348014992.db2.gz ZCQPGZNEMRAQLZ-UHFFFAOYSA-N 1 2 268.282 3.137 20 30 CGEDLO C[C@H](CCC#N)C[NH2+][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000602709571 348015214 /nfs/dbraw/zinc/01/52/14/348015214.db2.gz LMTGNASPLBSKTH-IJLUTSLNSA-N 1 2 278.318 3.016 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CC(Cc2cccs2)C1 ZINC000602728961 348019315 /nfs/dbraw/zinc/01/93/15/348019315.db2.gz FQQBVZRJZRTRSB-UHFFFAOYSA-N 1 2 286.375 3.433 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1ccsc1)C(=O)OC ZINC000602733004 348020937 /nfs/dbraw/zinc/02/09/37/348020937.db2.gz GIFRSESJDUIBIJ-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(=O)OC ZINC000602734990 348020941 /nfs/dbraw/zinc/02/09/41/348020941.db2.gz RMKHAYNVGYARSC-BCLQGDPASA-N 1 2 291.366 3.169 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000602861212 348037634 /nfs/dbraw/zinc/03/76/34/348037634.db2.gz GCYOZSPZWVHDNV-JTQLQIEISA-N 1 2 275.352 3.341 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602864173 348038273 /nfs/dbraw/zinc/03/82/73/348038273.db2.gz QGGWPVMOMJOXKC-OLZOCXBDSA-N 1 2 273.380 3.029 20 30 CGEDLO C[N@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[C@H]1C#N ZINC000602981307 348051612 /nfs/dbraw/zinc/05/16/12/348051612.db2.gz BDRDAAFALXLBMT-MAUKXSAKSA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[C@H]1C#N ZINC000602981307 348051615 /nfs/dbraw/zinc/05/16/15/348051615.db2.gz BDRDAAFALXLBMT-MAUKXSAKSA-N 1 2 292.386 3.268 20 30 CGEDLO CC#CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000607727462 348258486 /nfs/dbraw/zinc/25/84/86/348258486.db2.gz HAPIUCBYUGOFAM-DTORHVGOSA-N 1 2 273.220 3.072 20 30 CGEDLO CC#CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000607727462 348258487 /nfs/dbraw/zinc/25/84/87/348258487.db2.gz HAPIUCBYUGOFAM-DTORHVGOSA-N 1 2 273.220 3.072 20 30 CGEDLO CC(C)c1cc(C[NH2+]Cc2ccc(C#N)cc2F)on1 ZINC000610946943 348411236 /nfs/dbraw/zinc/41/12/36/348411236.db2.gz LDXITZBZSUEVAI-UHFFFAOYSA-N 1 2 273.311 3.099 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2s1)Cc1ccnc(C#N)c1 ZINC000610991356 348413839 /nfs/dbraw/zinc/41/38/39/348413839.db2.gz ANXMCVPYQFSDPX-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccnc(C#N)c1 ZINC000610991356 348413841 /nfs/dbraw/zinc/41/38/41/348413841.db2.gz ANXMCVPYQFSDPX-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166953 348499295 /nfs/dbraw/zinc/49/92/95/348499295.db2.gz YQVDZPPEUBZYJG-IUODEOHRSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166953 348499298 /nfs/dbraw/zinc/49/92/98/348499298.db2.gz YQVDZPPEUBZYJG-IUODEOHRSA-N 1 2 273.336 3.281 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000612525860 348525531 /nfs/dbraw/zinc/52/55/31/348525531.db2.gz JZMSOOWVZIPQAC-PWSUYJOCSA-N 1 2 294.420 3.081 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614479787 348679502 /nfs/dbraw/zinc/67/95/02/348679502.db2.gz PCRPKGIRSUPFJX-HUUCEWRRSA-N 1 2 295.386 3.281 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000614962624 348703569 /nfs/dbraw/zinc/70/35/69/348703569.db2.gz MPPPBQXFVQSHGT-JTNHKYCSSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000614962624 348703570 /nfs/dbraw/zinc/70/35/70/348703570.db2.gz MPPPBQXFVQSHGT-JTNHKYCSSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615652179 348755504 /nfs/dbraw/zinc/75/55/04/348755504.db2.gz RVRZFHGQNVYAQT-ZBFHGGJFSA-N 1 2 260.356 3.193 20 30 CGEDLO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615652179 348755507 /nfs/dbraw/zinc/75/55/07/348755507.db2.gz RVRZFHGQNVYAQT-ZBFHGGJFSA-N 1 2 260.356 3.193 20 30 CGEDLO N#Cc1cnc(Sc2[nH+]cc3ccccn32)c(Cl)c1 ZINC000358869280 233206148 /nfs/dbraw/zinc/20/61/48/233206148.db2.gz DWKXUGQWLKXSMJ-UHFFFAOYSA-N 1 2 286.747 3.406 20 30 CGEDLO C=C[C@@H]([NH2+]CCCc1ccc(C(C)C)cc1)C(=O)OC ZINC000619701218 349276338 /nfs/dbraw/zinc/27/63/38/349276338.db2.gz BDNLVZUDNBBIQH-MRXNPFEDSA-N 1 2 275.392 3.060 20 30 CGEDLO CC1(CC(F)(F)F)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000459632839 535116308 /nfs/dbraw/zinc/11/63/08/535116308.db2.gz FZBOCLFZWFRWQD-UHFFFAOYSA-N 1 2 274.311 3.394 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632310245 351192614 /nfs/dbraw/zinc/19/26/14/351192614.db2.gz SCHIPYIXZVVRSH-OAHLLOKOSA-N 1 2 297.402 3.276 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632780678 351216594 /nfs/dbraw/zinc/21/65/94/351216594.db2.gz NEYCQQHWAICDDN-OAHLLOKOSA-N 1 2 281.359 3.257 20 30 CGEDLO C=CC[C@H](CC)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632848556 351223675 /nfs/dbraw/zinc/22/36/75/351223675.db2.gz IXWHDZKDYKMNNP-AWEZNQCLSA-N 1 2 269.348 3.161 20 30 CGEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)c1ccc(C#N)cc1 ZINC000118174840 186765454 /nfs/dbraw/zinc/76/54/54/186765454.db2.gz WGPACWLFMGZPRG-SNVBAGLBSA-N 1 2 295.371 3.088 20 30 CGEDLO C=CCCc1ccccc1NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635898017 351701485 /nfs/dbraw/zinc/70/14/85/351701485.db2.gz XBHLTFPCGHKXGR-UHFFFAOYSA-N 1 2 283.375 3.272 20 30 CGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573924903 334977898 /nfs/dbraw/zinc/97/78/98/334977898.db2.gz KCYTWFMMQJEKDH-DOTOQJQBSA-N 1 2 297.402 3.138 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000273576011 192212641 /nfs/dbraw/zinc/21/26/41/192212641.db2.gz GBAOFSJOUPYUQT-ZJUUUORDSA-N 1 2 272.377 3.130 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274524494 192634211 /nfs/dbraw/zinc/63/42/11/192634211.db2.gz ZVWCXXXNKRVNBQ-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274524494 192634213 /nfs/dbraw/zinc/63/42/13/192634213.db2.gz ZVWCXXXNKRVNBQ-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO COCCC1(CNc2cc(C)[nH+]cc2C#N)CCCCC1 ZINC000425235058 236221936 /nfs/dbraw/zinc/22/19/36/236221936.db2.gz CWOXFZPVFZERNX-UHFFFAOYSA-N 1 2 287.407 3.083 20 30 CGEDLO Cc1cc(N2CC[C@H](Cc3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425240746 236221976 /nfs/dbraw/zinc/22/19/76/236221976.db2.gz ZFQBMVBILXITCC-OAHLLOKOSA-N 1 2 295.361 3.470 20 30 CGEDLO Cc1cc(NC[C@H](C)Cc2cccs2)c(C#N)c[nH+]1 ZINC000425238258 236222336 /nfs/dbraw/zinc/22/23/36/236222336.db2.gz UQOQFRVEARAVKV-LLVKDONJSA-N 1 2 271.389 3.036 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341801854 216111444 /nfs/dbraw/zinc/11/14/44/216111444.db2.gz XYXROJWCWLGFOP-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341801854 216111446 /nfs/dbraw/zinc/11/14/46/216111446.db2.gz XYXROJWCWLGFOP-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO CC[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](C)C#N ZINC000120505141 370774395 /nfs/dbraw/zinc/77/43/95/370774395.db2.gz SDWREVDFYQQMJS-SECBINFHSA-N 1 2 256.271 3.085 20 30 CGEDLO CC[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](C)C#N ZINC000120505141 370774400 /nfs/dbraw/zinc/77/44/00/370774400.db2.gz SDWREVDFYQQMJS-SECBINFHSA-N 1 2 256.271 3.085 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](CC3=CCCCC3)CCO2)c1 ZINC000450656026 240020955 /nfs/dbraw/zinc/02/09/55/240020955.db2.gz ZQWQHGBVQCBPRK-SFHVURJKSA-N 1 2 282.387 3.432 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CC3=CCCCC3)CCO2)c1 ZINC000450656026 240020958 /nfs/dbraw/zinc/02/09/58/240020958.db2.gz ZQWQHGBVQCBPRK-SFHVURJKSA-N 1 2 282.387 3.432 20 30 CGEDLO C=C[C@H](CC(=O)Nc1c[nH+]ccc1OC)c1ccccc1 ZINC000122695476 370906348 /nfs/dbraw/zinc/90/63/48/370906348.db2.gz CYEBBEZQCYEDLW-CYBMUJFWSA-N 1 2 282.343 3.389 20 30 CGEDLO CCC[N@@H+](CC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000124118942 370918375 /nfs/dbraw/zinc/91/83/75/370918375.db2.gz JQZABNXANXVGSD-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO CCC[N@H+](CC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000124118942 370918382 /nfs/dbraw/zinc/91/83/82/370918382.db2.gz JQZABNXANXVGSD-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO CCn1cc[nH+]c1CNc1cccc(OCCCC#N)c1 ZINC000051923730 369458568 /nfs/dbraw/zinc/45/85/68/369458568.db2.gz NSAIDJJDWUXNHR-UHFFFAOYSA-N 1 2 284.363 3.198 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000127751559 370955986 /nfs/dbraw/zinc/95/59/86/370955986.db2.gz BQOCQLUKXZSIGQ-UHFFFAOYSA-N 1 2 299.374 3.228 20 30 CGEDLO CCc1nnc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000054340515 369501692 /nfs/dbraw/zinc/50/16/92/369501692.db2.gz JLYKYMFCAILYGE-GFCCVEGCSA-N 1 2 284.363 3.087 20 30 CGEDLO CCc1nnc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000054340515 369501696 /nfs/dbraw/zinc/50/16/96/369501696.db2.gz JLYKYMFCAILYGE-GFCCVEGCSA-N 1 2 284.363 3.087 20 30 CGEDLO C=CCCN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000276189267 193238004 /nfs/dbraw/zinc/23/80/04/193238004.db2.gz WSZRYOKOUUHHSY-UHFFFAOYSA-N 1 2 284.363 3.127 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000064931745 369662738 /nfs/dbraw/zinc/66/27/38/369662738.db2.gz QMRHCZYOBIGWDT-SNVBAGLBSA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000064931745 369662745 /nfs/dbraw/zinc/66/27/45/369662745.db2.gz QMRHCZYOBIGWDT-SNVBAGLBSA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091678006 370074851 /nfs/dbraw/zinc/07/48/51/370074851.db2.gz WVRQVJYRLGIQJI-FZMZJTMJSA-N 1 2 291.782 3.067 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091678006 370074852 /nfs/dbraw/zinc/07/48/52/370074852.db2.gz WVRQVJYRLGIQJI-FZMZJTMJSA-N 1 2 291.782 3.067 20 30 CGEDLO CC[N@@H+](Cc1cnc(CC(C)C)s1)C[C@H](C)C#N ZINC000091984308 370085404 /nfs/dbraw/zinc/08/54/04/370085404.db2.gz LRJJNQWKCKNKNH-GFCCVEGCSA-N 1 2 265.426 3.323 20 30 CGEDLO CC[N@H+](Cc1cnc(CC(C)C)s1)C[C@H](C)C#N ZINC000091984308 370085406 /nfs/dbraw/zinc/08/54/06/370085406.db2.gz LRJJNQWKCKNKNH-GFCCVEGCSA-N 1 2 265.426 3.323 20 30 CGEDLO C=CC[N@H+](Cc1cnc2cnccn12)Cc1ccccc1F ZINC000092404557 370096366 /nfs/dbraw/zinc/09/63/66/370096366.db2.gz FQAQHTSBJKYSKZ-UHFFFAOYSA-N 1 2 296.349 3.057 20 30 CGEDLO C=CC[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1F ZINC000092404557 370096369 /nfs/dbraw/zinc/09/63/69/370096369.db2.gz FQAQHTSBJKYSKZ-UHFFFAOYSA-N 1 2 296.349 3.057 20 30 CGEDLO N#CCC[N@@H+](Cc1ncccc1C(F)(F)F)CC1CC1 ZINC000093091270 370108839 /nfs/dbraw/zinc/10/88/39/370108839.db2.gz ZRPAQFLZBSNUJP-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC[N@H+](Cc1ncccc1C(F)(F)F)CC1CC1 ZINC000093091270 370108842 /nfs/dbraw/zinc/10/88/42/370108842.db2.gz ZRPAQFLZBSNUJP-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000103140816 370320237 /nfs/dbraw/zinc/32/02/37/370320237.db2.gz XRNLSJSITBAHHH-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000103140816 370320242 /nfs/dbraw/zinc/32/02/42/370320242.db2.gz XRNLSJSITBAHHH-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO C#CCOc1ccccc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000131151316 371087256 /nfs/dbraw/zinc/08/72/56/371087256.db2.gz KELVBNFQHKMMKO-UHFFFAOYSA-N 1 2 298.411 3.322 20 30 CGEDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])c(C#N)c2)[nH+]1 ZINC000286665678 371536584 /nfs/dbraw/zinc/53/65/84/371536584.db2.gz VSEHOVBJJFJQPO-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000155372069 371925546 /nfs/dbraw/zinc/92/55/46/371925546.db2.gz SNTGGOCDOFTVAB-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000155372069 371925552 /nfs/dbraw/zinc/92/55/52/371925552.db2.gz SNTGGOCDOFTVAB-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C#N)ccc1C(F)(F)F ZINC000290440405 371989737 /nfs/dbraw/zinc/98/97/37/371989737.db2.gz BUYDQEDSBADQCO-SNVBAGLBSA-N 1 2 294.280 3.274 20 30 CGEDLO C=CCC(C)(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000292744294 372201158 /nfs/dbraw/zinc/20/11/58/372201158.db2.gz QUDOICZMIJPVFG-UHFFFAOYSA-N 1 2 299.418 3.453 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1cccc(Cl)c1 ZINC000428866011 372273809 /nfs/dbraw/zinc/27/38/09/372273809.db2.gz GUALALMRCAVJJY-UHFFFAOYSA-N 1 2 264.756 3.120 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1cccc(Cl)c1 ZINC000428866011 372273813 /nfs/dbraw/zinc/27/38/13/372273813.db2.gz GUALALMRCAVJJY-UHFFFAOYSA-N 1 2 264.756 3.120 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000429831361 372379910 /nfs/dbraw/zinc/37/99/10/372379910.db2.gz LQNWPCBGNNLFFY-UHFFFAOYSA-N 1 2 291.782 3.206 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccncc1 ZINC000293798900 372486339 /nfs/dbraw/zinc/48/63/39/372486339.db2.gz DDSCBMJCNKTZSR-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccncc1 ZINC000293798900 372486348 /nfs/dbraw/zinc/48/63/48/372486348.db2.gz DDSCBMJCNKTZSR-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435038043 372728089 /nfs/dbraw/zinc/72/80/89/372728089.db2.gz ZQOAMYQWDCJTRE-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435038043 372728096 /nfs/dbraw/zinc/72/80/96/372728096.db2.gz ZQOAMYQWDCJTRE-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000438102012 372880530 /nfs/dbraw/zinc/88/05/30/372880530.db2.gz CKVXWELYICPZJX-LLVKDONJSA-N 1 2 271.339 3.431 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000438102012 372880535 /nfs/dbraw/zinc/88/05/35/372880535.db2.gz CKVXWELYICPZJX-LLVKDONJSA-N 1 2 271.339 3.431 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442833462 373099115 /nfs/dbraw/zinc/09/91/15/373099115.db2.gz HZUJAEHOWCKOPN-MCIONIFRSA-N 1 2 280.412 3.026 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccco1 ZINC000296386474 373115685 /nfs/dbraw/zinc/11/56/85/373115685.db2.gz JWQYJMOFVTTXMB-LBPRGKRZSA-N 1 2 272.352 3.072 20 30 CGEDLO C=CC(C)(C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000448562114 373595881 /nfs/dbraw/zinc/59/58/81/373595881.db2.gz BHZGXYKMIOGBJO-FLIBITNWSA-N 1 2 298.430 3.056 20 30 CGEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000301097608 373658219 /nfs/dbraw/zinc/65/82/19/373658219.db2.gz OTKOMHVTTTVZLE-UHFFFAOYSA-N 1 2 280.375 3.417 20 30 CGEDLO N#Cc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000301120320 373667531 /nfs/dbraw/zinc/66/75/31/373667531.db2.gz WMLRNBUYNQURGU-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO CC1(C#N)CCC([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000449331551 373680693 /nfs/dbraw/zinc/68/06/93/373680693.db2.gz ZPHIZJZFWDXWAY-MOENNCHZSA-N 1 2 260.303 3.389 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000449335007 373681042 /nfs/dbraw/zinc/68/10/42/373681042.db2.gz HAMDDAXTJMWULA-UHFFFAOYSA-N 1 2 286.375 3.140 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000449335007 373681053 /nfs/dbraw/zinc/68/10/53/373681053.db2.gz HAMDDAXTJMWULA-UHFFFAOYSA-N 1 2 286.375 3.140 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000181609117 374146437 /nfs/dbraw/zinc/14/64/37/374146437.db2.gz WQBANLMXDUUFCP-SNVBAGLBSA-N 1 2 287.226 3.401 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1OC1CC1)C1CC1 ZINC000450608978 374165607 /nfs/dbraw/zinc/16/56/07/374165607.db2.gz CTGTZLIIOHKBJR-ZDUSSCGKSA-N 1 2 270.376 3.352 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1OC1CC1)C1CC1 ZINC000450608978 374165610 /nfs/dbraw/zinc/16/56/10/374165610.db2.gz CTGTZLIIOHKBJR-ZDUSSCGKSA-N 1 2 270.376 3.352 20 30 CGEDLO CN(C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)C1CCCC1 ZINC000328775827 374382802 /nfs/dbraw/zinc/38/28/02/374382802.db2.gz FJZLDEFMZDJMKP-UHFFFAOYSA-N 1 2 298.390 3.365 20 30 CGEDLO CC(C)OC(=O)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000453325626 374423048 /nfs/dbraw/zinc/42/30/48/374423048.db2.gz XMCHVAFZGUJFHT-CJNGLKHVSA-N 1 2 288.391 3.185 20 30 CGEDLO CC(C)(C)CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330643508 374486463 /nfs/dbraw/zinc/48/64/63/374486463.db2.gz GXBJVOMVVRRWCZ-GFCCVEGCSA-N 1 2 278.400 3.287 20 30 CGEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000334149995 374650986 /nfs/dbraw/zinc/65/09/86/374650986.db2.gz IJBSVKFLNCNUCA-SECBINFHSA-N 1 2 289.326 3.178 20 30 CGEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000334149995 374650993 /nfs/dbraw/zinc/65/09/93/374650993.db2.gz IJBSVKFLNCNUCA-SECBINFHSA-N 1 2 289.326 3.178 20 30 CGEDLO C#CCC(C)(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000185413040 374657955 /nfs/dbraw/zinc/65/79/55/374657955.db2.gz DMBWZZAKLFRJNZ-UHFFFAOYSA-N 1 2 281.359 3.075 20 30 CGEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187458809 375025394 /nfs/dbraw/zinc/02/53/94/375025394.db2.gz XJFZGGPXWIUHBF-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187458809 375025400 /nfs/dbraw/zinc/02/54/00/375025400.db2.gz XJFZGGPXWIUHBF-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO CCC[N@H+](CC#Cc1ccccc1)[C@@H](CC)C(=O)OCC ZINC000484539403 375188405 /nfs/dbraw/zinc/18/84/05/375188405.db2.gz LPDBSPHLNTXCBD-KRWDZBQOSA-N 1 2 287.403 3.092 20 30 CGEDLO CCC[N@@H+](CC#Cc1ccccc1)[C@@H](CC)C(=O)OCC ZINC000484539403 375188410 /nfs/dbraw/zinc/18/84/10/375188410.db2.gz LPDBSPHLNTXCBD-KRWDZBQOSA-N 1 2 287.403 3.092 20 30 CGEDLO C=CCOc1ccccc1CNc1[nH]c2cc(F)ccc2[nH+]1 ZINC000485951442 375194893 /nfs/dbraw/zinc/19/48/93/375194893.db2.gz NJKIRQVDFHOPHF-UHFFFAOYSA-N 1 2 297.333 3.301 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000335173664 375198686 /nfs/dbraw/zinc/19/86/86/375198686.db2.gz ZYQKEYAYXGGZEK-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000335173664 375198689 /nfs/dbraw/zinc/19/86/89/375198689.db2.gz ZYQKEYAYXGGZEK-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO Cc1cc(C)c(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c(C)[nH+]1 ZINC000335588404 375333871 /nfs/dbraw/zinc/33/38/71/375333871.db2.gz CYIRUMQCIGVZHG-KBPBESRZSA-N 1 2 286.379 3.211 20 30 CGEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336010377 375614796 /nfs/dbraw/zinc/61/47/96/375614796.db2.gz UECJUDPCIZDAIV-AWEZNQCLSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000336010377 375614806 /nfs/dbraw/zinc/61/48/06/375614806.db2.gz UECJUDPCIZDAIV-AWEZNQCLSA-N 1 2 286.404 3.080 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000500780644 375637698 /nfs/dbraw/zinc/63/76/98/375637698.db2.gz LOEBFAXFFUZEND-HUUCEWRRSA-N 1 2 295.810 3.368 20 30 CGEDLO CC[N@H+](Cc1cocn1)[C@H](C)c1ccc(C#N)cc1 ZINC000191928703 375680616 /nfs/dbraw/zinc/68/06/16/375680616.db2.gz DLSZLAVKWBXYKJ-GFCCVEGCSA-N 1 2 255.321 3.129 20 30 CGEDLO CC[N@@H+](Cc1cocn1)[C@H](C)c1ccc(C#N)cc1 ZINC000191928703 375680622 /nfs/dbraw/zinc/68/06/22/375680622.db2.gz DLSZLAVKWBXYKJ-GFCCVEGCSA-N 1 2 255.321 3.129 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000192259845 375721170 /nfs/dbraw/zinc/72/11/70/375721170.db2.gz USTWZFXLQGYECE-HNNXBMFYSA-N 1 2 291.439 3.286 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)oc3ccccc32)CC1 ZINC000515277259 375811325 /nfs/dbraw/zinc/81/13/25/375811325.db2.gz COLUBCLYCHADCW-UHFFFAOYSA-N 1 2 260.724 3.480 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(C)C1=O ZINC000516415637 375821283 /nfs/dbraw/zinc/82/12/83/375821283.db2.gz JPNBJLANEUJHPP-GFCCVEGCSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(C)C1=O ZINC000516415637 375821286 /nfs/dbraw/zinc/82/12/86/375821286.db2.gz JPNBJLANEUJHPP-GFCCVEGCSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC000193617716 375898150 /nfs/dbraw/zinc/89/81/50/375898150.db2.gz OVPSDBHDRVERID-QGZVFWFLSA-N 1 2 297.402 3.176 20 30 CGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603563 375952378 /nfs/dbraw/zinc/95/23/78/375952378.db2.gz ATKPLRVATNEVTG-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603563 375952386 /nfs/dbraw/zinc/95/23/86/375952386.db2.gz ATKPLRVATNEVTG-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H](Cc1ccsc1)[N@H+](CCC#N)Cc1cccnc1 ZINC000541202197 376426744 /nfs/dbraw/zinc/42/67/44/376426744.db2.gz BHSGJIVMEMFDAB-CQSZACIVSA-N 1 2 285.416 3.490 20 30 CGEDLO C[C@H](Cc1ccsc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC000541202197 376426749 /nfs/dbraw/zinc/42/67/49/376426749.db2.gz BHSGJIVMEMFDAB-CQSZACIVSA-N 1 2 285.416 3.490 20 30 CGEDLO N#Cc1ccc(NCCCCNc2cccc[nH+]2)cc1 ZINC000263782762 190078439 /nfs/dbraw/zinc/07/84/39/190078439.db2.gz LYTFCLUZBCXAMK-UHFFFAOYSA-N 1 2 266.348 3.257 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000264442834 190109715 /nfs/dbraw/zinc/10/97/15/190109715.db2.gz GJDKFYBAQJJSNP-ZDUSSCGKSA-N 1 2 276.355 3.113 20 30 CGEDLO C=C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000264457867 190110976 /nfs/dbraw/zinc/11/09/76/190110976.db2.gz JOWWJNSVNQOJID-UHFFFAOYSA-N 1 2 267.376 3.083 20 30 CGEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC000264656534 190126258 /nfs/dbraw/zinc/12/62/58/190126258.db2.gz PWXRWGGNYPHPSQ-UHFFFAOYSA-N 1 2 278.359 3.171 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1c(C)cc(C)[nH+]c1C)OCC ZINC000339609139 376772608 /nfs/dbraw/zinc/77/26/08/376772608.db2.gz RDTQYWAXENFGCO-AWEZNQCLSA-N 1 2 276.380 3.317 20 30 CGEDLO C[C@H](C#N)C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000554838707 376853440 /nfs/dbraw/zinc/85/34/40/376853440.db2.gz CBRFXVLGLCFGKF-CYBMUJFWSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000554838707 376853447 /nfs/dbraw/zinc/85/34/47/376853447.db2.gz CBRFXVLGLCFGKF-CYBMUJFWSA-N 1 2 272.779 3.316 20 30 CGEDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1C ZINC000251893627 377602882 /nfs/dbraw/zinc/60/28/82/377602882.db2.gz QLDBFNMWSONUIJ-XHDPSFHLSA-N 1 2 278.783 3.068 20 30 CGEDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1C ZINC000251893627 377602892 /nfs/dbraw/zinc/60/28/92/377602892.db2.gz QLDBFNMWSONUIJ-XHDPSFHLSA-N 1 2 278.783 3.068 20 30 CGEDLO Cc1[nH]c2ccc(COc3ccc(C#N)c(F)c3)cc2[nH+]1 ZINC000342688321 377735700 /nfs/dbraw/zinc/73/57/00/377735700.db2.gz POBLVDBRJTVVDW-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO Cc1[nH]c2cc(COc3ccc(C#N)c(F)c3)ccc2[nH+]1 ZINC000342688321 377735706 /nfs/dbraw/zinc/73/57/06/377735706.db2.gz POBLVDBRJTVVDW-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO CC(C)COc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000342748721 377772631 /nfs/dbraw/zinc/77/26/31/377772631.db2.gz XGYITAAGAHSHMO-AWEZNQCLSA-N 1 2 260.381 3.455 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000342748721 377772636 /nfs/dbraw/zinc/77/26/36/377772636.db2.gz XGYITAAGAHSHMO-AWEZNQCLSA-N 1 2 260.381 3.455 20 30 CGEDLO Cc1ccnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1C#N ZINC000343515022 378002991 /nfs/dbraw/zinc/00/29/91/378002991.db2.gz SQNCYTYBJFTENJ-UHFFFAOYSA-N 1 2 289.342 3.264 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1Cl ZINC000343582404 378027770 /nfs/dbraw/zinc/02/77/70/378027770.db2.gz LCLUTACJYYWDGH-SECBINFHSA-N 1 2 252.720 3.433 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000267910337 378046005 /nfs/dbraw/zinc/04/60/05/378046005.db2.gz DGYAMRPWBXFTSX-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000267910337 378046013 /nfs/dbraw/zinc/04/60/13/378046013.db2.gz DGYAMRPWBXFTSX-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccccn2)nc1)C1CC1 ZINC000579465586 378162515 /nfs/dbraw/zinc/16/25/15/378162515.db2.gz QACIDIUJCXHUFA-CQSZACIVSA-N 1 2 292.386 3.268 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccccn2)nc1)C1CC1 ZINC000579465586 378162523 /nfs/dbraw/zinc/16/25/23/378162523.db2.gz QACIDIUJCXHUFA-CQSZACIVSA-N 1 2 292.386 3.268 20 30 CGEDLO CCc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000269599222 378241135 /nfs/dbraw/zinc/24/11/35/378241135.db2.gz HRYDCQYESAGRAF-UHFFFAOYSA-N 1 2 283.400 3.356 20 30 CGEDLO C[C@@]12C[N@@H+]([C@H](C#N)c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508793 378402054 /nfs/dbraw/zinc/40/20/54/378402054.db2.gz BUGRQTSJZSGOEK-ICUGJSFKSA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@@]12C[N@H+]([C@H](C#N)c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508793 378402061 /nfs/dbraw/zinc/40/20/61/378402061.db2.gz BUGRQTSJZSGOEK-ICUGJSFKSA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000271118150 378455947 /nfs/dbraw/zinc/45/59/47/378455947.db2.gz GFZIRRFHCRAXIJ-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000271118150 378455951 /nfs/dbraw/zinc/45/59/51/378455951.db2.gz GFZIRRFHCRAXIJ-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C=CC(C)(C)CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000637320755 378484031 /nfs/dbraw/zinc/48/40/31/378484031.db2.gz QQEFUSHJUQRNFH-CYBMUJFWSA-N 1 2 290.411 3.249 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCO[C@H](C)C2)c1O ZINC000271447330 378492982 /nfs/dbraw/zinc/49/29/82/378492982.db2.gz UBNBBLIQJUDMCW-MDDWGPDPSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000274284269 378803207 /nfs/dbraw/zinc/80/32/07/378803207.db2.gz YYAVGOMJDFKIQE-DTWKUNHWSA-N 1 2 290.367 3.269 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CCC1 ZINC000276667355 378976980 /nfs/dbraw/zinc/97/69/80/378976980.db2.gz CWWQXERUIDZYSW-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000373233903 379246916 /nfs/dbraw/zinc/24/69/16/379246916.db2.gz ZTBWNUODFRPQOF-CYBMUJFWSA-N 1 2 290.411 3.044 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373233903 379246926 /nfs/dbraw/zinc/24/69/26/379246926.db2.gz ZTBWNUODFRPQOF-CYBMUJFWSA-N 1 2 290.411 3.044 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)cs2)n1 ZINC000279416621 379431537 /nfs/dbraw/zinc/43/15/37/379431537.db2.gz OLKMEUYGFMIQRT-UHFFFAOYSA-N 1 2 293.823 3.253 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)cs2)n1 ZINC000279416621 379431543 /nfs/dbraw/zinc/43/15/43/379431543.db2.gz OLKMEUYGFMIQRT-UHFFFAOYSA-N 1 2 293.823 3.253 20 30 CGEDLO Cc1cn2c([nH+]1)CN(Cc1ccccc1C(C)(C)C#N)CC2 ZINC000374708692 379475670 /nfs/dbraw/zinc/47/56/70/379475670.db2.gz BRKWUQGDOYYJDP-UHFFFAOYSA-N 1 2 294.402 3.009 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000375285767 379490669 /nfs/dbraw/zinc/49/06/69/379490669.db2.gz FLAZBNINTHENSL-DLBZAZTESA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000375285767 379490676 /nfs/dbraw/zinc/49/06/76/379490676.db2.gz FLAZBNINTHENSL-DLBZAZTESA-N 1 2 295.361 3.492 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(Br)s1)C1CC1 ZINC000350265869 379532532 /nfs/dbraw/zinc/53/25/32/379532532.db2.gz LRSYGSXPSSWZTF-UHFFFAOYSA-N 1 2 273.199 3.056 20 30 CGEDLO C=CC[N@H+](Cc1ncc(Br)s1)C1CC1 ZINC000350265869 379532544 /nfs/dbraw/zinc/53/25/44/379532544.db2.gz LRSYGSXPSSWZTF-UHFFFAOYSA-N 1 2 273.199 3.056 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639669778 379538211 /nfs/dbraw/zinc/53/82/11/379538211.db2.gz YCWQXWTZXHBFRI-TUAOUCFPSA-N 1 2 290.329 3.206 20 30 CGEDLO C=C(C)CCc1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000351606196 379728868 /nfs/dbraw/zinc/72/88/68/379728868.db2.gz BWQUTKCSKGFDHQ-UHFFFAOYSA-N 1 2 294.358 3.490 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)cccc1C(=O)OC ZINC000351756705 379742282 /nfs/dbraw/zinc/74/22/82/379742282.db2.gz LPNXEPZAFZFLPW-UHFFFAOYSA-N 1 2 267.756 3.135 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1c(Cl)cccc1C(=O)OC ZINC000351756705 379742293 /nfs/dbraw/zinc/74/22/93/379742293.db2.gz LPNXEPZAFZFLPW-UHFFFAOYSA-N 1 2 267.756 3.135 20 30 CGEDLO C=CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352025830 379749783 /nfs/dbraw/zinc/74/97/83/379749783.db2.gz LWOADPZRWJUJBM-UHFFFAOYSA-N 1 2 282.290 3.271 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000280801838 379793245 /nfs/dbraw/zinc/79/32/45/379793245.db2.gz RYMQXYXGOYFMKO-HIFRSBDPSA-N 1 2 273.380 3.056 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCCOc1ccc(C#N)cc1 ZINC000352552952 379855312 /nfs/dbraw/zinc/85/53/12/379855312.db2.gz DPEJKCCOLNDLFH-UHFFFAOYSA-N 1 2 282.343 3.282 20 30 CGEDLO C=CC[C@H](CC)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000281044948 379816291 /nfs/dbraw/zinc/81/62/91/379816291.db2.gz JPESAXXUBJNWIA-ZDUSSCGKSA-N 1 2 285.391 3.070 20 30 CGEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1SC ZINC000352458455 379823871 /nfs/dbraw/zinc/82/38/71/379823871.db2.gz KQVPUESOIUVBDQ-UHFFFAOYSA-N 1 2 294.395 3.245 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352720358 379922906 /nfs/dbraw/zinc/92/29/06/379922906.db2.gz LRNBBPWAGYFJRB-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352720358 379922909 /nfs/dbraw/zinc/92/29/09/379922909.db2.gz LRNBBPWAGYFJRB-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO Cc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)o1 ZINC000352843114 379999098 /nfs/dbraw/zinc/99/90/98/379999098.db2.gz XOHWICJMJBBWNC-VIFPVBQESA-N 1 2 261.350 3.075 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](C#N)CCC#N ZINC000352900300 380028035 /nfs/dbraw/zinc/02/80/35/380028035.db2.gz GQHAQZTXFBBRTJ-INIZCTEOSA-N 1 2 299.422 3.286 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](C#N)CCC#N ZINC000352900300 380028040 /nfs/dbraw/zinc/02/80/40/380028040.db2.gz GQHAQZTXFBBRTJ-INIZCTEOSA-N 1 2 299.422 3.286 20 30 CGEDLO C[C@H](CCC#N)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000411535367 380149274 /nfs/dbraw/zinc/14/92/74/380149274.db2.gz PZNFELFALBTJAQ-VXGBXAGGSA-N 1 2 276.384 3.460 20 30 CGEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411313735 380140092 /nfs/dbraw/zinc/14/00/92/380140092.db2.gz CASNHGCSYIMIED-CQSZACIVSA-N 1 2 280.412 3.122 20 30 CGEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411313735 380140101 /nfs/dbraw/zinc/14/01/01/380140101.db2.gz CASNHGCSYIMIED-CQSZACIVSA-N 1 2 280.412 3.122 20 30 CGEDLO N#CCC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000411420171 380146494 /nfs/dbraw/zinc/14/64/94/380146494.db2.gz HNEVNTHPRUHSIV-UHFFFAOYSA-N 1 2 298.217 3.419 20 30 CGEDLO N#CCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000411420171 380146496 /nfs/dbraw/zinc/14/64/96/380146496.db2.gz HNEVNTHPRUHSIV-UHFFFAOYSA-N 1 2 298.217 3.419 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1nnc(C)o1 ZINC000411136184 380130291 /nfs/dbraw/zinc/13/02/91/380130291.db2.gz MQQNFNRYIFMVPL-JTQLQIEISA-N 1 2 263.366 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1nnc(C)o1 ZINC000411136184 380130293 /nfs/dbraw/zinc/13/02/93/380130293.db2.gz MQQNFNRYIFMVPL-JTQLQIEISA-N 1 2 263.366 3.189 20 30 CGEDLO CCn1nccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000353945778 380247790 /nfs/dbraw/zinc/24/77/90/380247790.db2.gz CHQLMQXKAVUJBI-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1nccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000353945778 380247793 /nfs/dbraw/zinc/24/77/93/380247793.db2.gz CHQLMQXKAVUJBI-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO C=CCCCN(C)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000353961842 380253841 /nfs/dbraw/zinc/25/38/41/380253841.db2.gz WIUJAKBIDZPZLC-UHFFFAOYSA-N 1 2 285.391 3.159 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nn(C)cc1Cl ZINC000420903247 380860286 /nfs/dbraw/zinc/86/02/86/380860286.db2.gz NVXCBXCUWXDCJQ-UHFFFAOYSA-N 1 2 289.810 3.304 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nn(C)cc1Cl ZINC000420903247 380860297 /nfs/dbraw/zinc/86/02/97/380860297.db2.gz NVXCBXCUWXDCJQ-UHFFFAOYSA-N 1 2 289.810 3.304 20 30 CGEDLO N#Cc1ccc(Cl)cc1NCc1ccn2cc[nH+]c2c1 ZINC000357439887 381158528 /nfs/dbraw/zinc/15/85/28/381158528.db2.gz OYMUCYICBUPBJJ-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCC1CC1 ZINC000358284660 381300129 /nfs/dbraw/zinc/30/01/29/381300129.db2.gz XMQVELDDWDJYOB-OAHLLOKOSA-N 1 2 258.365 3.257 20 30 CGEDLO N#CCC1(CNc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000362356837 381955813 /nfs/dbraw/zinc/95/58/13/381955813.db2.gz BSULIOQQUNQTJT-UHFFFAOYSA-N 1 2 255.296 3.480 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)c1 ZINC000367128631 382334524 /nfs/dbraw/zinc/33/45/24/382334524.db2.gz DNWIXLLVRXGOQO-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)c1 ZINC000367128631 382334527 /nfs/dbraw/zinc/33/45/27/382334527.db2.gz DNWIXLLVRXGOQO-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1F ZINC000353856101 220371994 /nfs/dbraw/zinc/37/19/94/220371994.db2.gz PEKGAODGIAWSJE-ZBEGNZNMSA-N 1 2 298.365 3.233 20 30 CGEDLO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C#N)CC1 ZINC000061040327 392125519 /nfs/dbraw/zinc/12/55/19/392125519.db2.gz SILLSOQHRPNALT-GFCCVEGCSA-N 1 2 282.347 3.033 20 30 CGEDLO CCCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090918 392234191 /nfs/dbraw/zinc/23/41/91/392234191.db2.gz CSKLXYJMAJEMDI-ZDUSSCGKSA-N 1 2 276.380 3.218 20 30 CGEDLO CCCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090918 392234197 /nfs/dbraw/zinc/23/41/97/392234197.db2.gz CSKLXYJMAJEMDI-ZDUSSCGKSA-N 1 2 276.380 3.218 20 30 CGEDLO CCCOc1ccc(C[N@H+](CC#N)C2CCCC2)c(O)c1 ZINC000093563343 392239545 /nfs/dbraw/zinc/23/95/45/392239545.db2.gz CCUMJWMHRHKICS-UHFFFAOYSA-N 1 2 288.391 3.449 20 30 CGEDLO CCCOc1ccc(C[N@@H+](CC#N)C2CCCC2)c(O)c1 ZINC000093563343 392239547 /nfs/dbraw/zinc/23/95/47/392239547.db2.gz CCUMJWMHRHKICS-UHFFFAOYSA-N 1 2 288.391 3.449 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2CCOc3c(F)ccc(F)c32)o1 ZINC000361238958 392261485 /nfs/dbraw/zinc/26/14/85/392261485.db2.gz WJKUOEZWZHCPEA-ZDUSSCGKSA-N 1 2 290.269 3.043 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)CC#Cc2ccccc2)cn1 ZINC000440471152 542664317 /nfs/dbraw/zinc/66/43/17/542664317.db2.gz GNROAXXJEJHIBN-UHFFFAOYSA-N 1 2 279.387 3.084 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)CC#Cc2ccccc2)cn1 ZINC000440471152 542664320 /nfs/dbraw/zinc/66/43/20/542664320.db2.gz GNROAXXJEJHIBN-UHFFFAOYSA-N 1 2 279.387 3.084 20 30 CGEDLO C#C[C@@H](C)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000289101620 392413740 /nfs/dbraw/zinc/41/37/40/392413740.db2.gz CCRUBDRKZHSRBL-CYBMUJFWSA-N 1 2 286.400 3.142 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000338352319 392910834 /nfs/dbraw/zinc/91/08/34/392910834.db2.gz JUDORXDJHIMLFL-NSHDSACASA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000338352319 392910837 /nfs/dbraw/zinc/91/08/37/392910837.db2.gz JUDORXDJHIMLFL-NSHDSACASA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000338343584 392910930 /nfs/dbraw/zinc/91/09/30/392910930.db2.gz BZKMKLRKCYSIEP-LLVKDONJSA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000338343584 392910934 /nfs/dbraw/zinc/91/09/34/392910934.db2.gz BZKMKLRKCYSIEP-LLVKDONJSA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000338384674 392914498 /nfs/dbraw/zinc/91/44/98/392914498.db2.gz SWEGMOINASTCTK-CYBMUJFWSA-N 1 2 281.359 3.466 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000338384674 392914504 /nfs/dbraw/zinc/91/45/04/392914504.db2.gz SWEGMOINASTCTK-CYBMUJFWSA-N 1 2 281.359 3.466 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)ccc1F ZINC000339059268 392943927 /nfs/dbraw/zinc/94/39/27/392943927.db2.gz IUTPTTRQGRXVFB-UNEWFSDZSA-N 1 2 288.366 3.200 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)ccc1F ZINC000339059268 392943930 /nfs/dbraw/zinc/94/39/30/392943930.db2.gz IUTPTTRQGRXVFB-UNEWFSDZSA-N 1 2 288.366 3.200 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC000339006406 392939149 /nfs/dbraw/zinc/93/91/49/392939149.db2.gz JEJXPPMIGFFXEK-BZPMIXESSA-N 1 2 293.436 3.365 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC000339006406 392939156 /nfs/dbraw/zinc/93/91/56/392939156.db2.gz JEJXPPMIGFFXEK-BZPMIXESSA-N 1 2 293.436 3.365 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H](CC)CO1 ZINC000404051878 392962356 /nfs/dbraw/zinc/96/23/56/392962356.db2.gz FLNUYKQDWBHSAD-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H](CC)CO1 ZINC000404051878 392962365 /nfs/dbraw/zinc/96/23/65/392962365.db2.gz FLNUYKQDWBHSAD-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](CC)CO1 ZINC000404051875 392962654 /nfs/dbraw/zinc/96/26/54/392962654.db2.gz FLNUYKQDWBHSAD-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](CC)CO1 ZINC000404051875 392962662 /nfs/dbraw/zinc/96/26/62/392962662.db2.gz FLNUYKQDWBHSAD-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1cc(N)nc(SCCC2(C#N)CCCCC2)[nH+]1 ZINC000412984698 393015281 /nfs/dbraw/zinc/01/52/81/393015281.db2.gz CYADPNCZHFIYKL-UHFFFAOYSA-N 1 2 276.409 3.154 20 30 CGEDLO N#CCC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413271835 393021280 /nfs/dbraw/zinc/02/12/80/393021280.db2.gz QRCDZVPUDLNEGG-UHFFFAOYSA-N 1 2 282.303 3.249 20 30 CGEDLO Cc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1Cl ZINC000348708930 393128649 /nfs/dbraw/zinc/12/86/49/393128649.db2.gz AMQUNCAUGGVMGP-UHFFFAOYSA-N 1 2 266.747 3.476 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000348839268 393132307 /nfs/dbraw/zinc/13/23/07/393132307.db2.gz VXKBDTMRFMPMIF-CQSZACIVSA-N 1 2 267.319 3.481 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000348839268 393132311 /nfs/dbraw/zinc/13/23/11/393132311.db2.gz VXKBDTMRFMPMIF-CQSZACIVSA-N 1 2 267.319 3.481 20 30 CGEDLO C=CC[C@@H](C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348833033 393132578 /nfs/dbraw/zinc/13/25/78/393132578.db2.gz LJZVXLXSQMYUIY-ZIAGYGMSSA-N 1 2 270.380 3.339 20 30 CGEDLO C[C@H](C#N)C[N@H+](CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000348957563 393135833 /nfs/dbraw/zinc/13/58/33/393135833.db2.gz QFNOJPXGUKNVAR-GFCCVEGCSA-N 1 2 274.339 3.023 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000348957563 393135840 /nfs/dbraw/zinc/13/58/40/393135840.db2.gz QFNOJPXGUKNVAR-GFCCVEGCSA-N 1 2 274.339 3.023 20 30 CGEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(Cl)c1 ZINC000258918088 393137870 /nfs/dbraw/zinc/13/78/70/393137870.db2.gz MYDZXWAIWFVBAT-UHFFFAOYSA-N 1 2 264.756 3.132 20 30 CGEDLO C=CCOCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000649321829 393399713 /nfs/dbraw/zinc/39/97/13/393399713.db2.gz WMJQGNISYLRELU-UHFFFAOYSA-N 1 2 296.292 3.290 20 30 CGEDLO CN(C)c1[nH+]cccc1CNc1ccc(C#N)c(Cl)c1 ZINC000356595740 393493915 /nfs/dbraw/zinc/49/39/15/393493915.db2.gz CQDUCAAQICAPCB-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)o1 ZINC000433201605 393698659 /nfs/dbraw/zinc/69/86/59/393698659.db2.gz MNGBMTOTPMDZKX-UHFFFAOYSA-N 1 2 282.677 3.373 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)[nH]1 ZINC000443997270 393781280 /nfs/dbraw/zinc/78/12/80/393781280.db2.gz MECWHRPFBMNJNK-WCQYABFASA-N 1 2 297.406 3.349 20 30 CGEDLO C=CCC1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000666975214 542831675 /nfs/dbraw/zinc/83/16/75/542831675.db2.gz KHTYIMFRLRHCHS-UHFFFAOYSA-N 1 2 284.363 3.345 20 30 CGEDLO C=CCC1(NC(=O)N[C@@H](C)c2[nH+]ccn2C)CCCCC1 ZINC000667248656 542855777 /nfs/dbraw/zinc/85/57/77/542855777.db2.gz CQKHBCCNYTXYIO-ZDUSSCGKSA-N 1 2 290.411 3.059 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000677048003 543428015 /nfs/dbraw/zinc/42/80/15/543428015.db2.gz NATKHTUFCACXCS-GFCCVEGCSA-N 1 2 262.422 3.256 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000677048003 543428016 /nfs/dbraw/zinc/42/80/16/543428016.db2.gz NATKHTUFCACXCS-GFCCVEGCSA-N 1 2 262.422 3.256 20 30 CGEDLO C=CCOc1ccc(CNc2[nH+]cccc2OC)cc1 ZINC000677853313 543469595 /nfs/dbraw/zinc/46/95/95/543469595.db2.gz SLDWWBFHCJFDBE-UHFFFAOYSA-N 1 2 270.332 3.267 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nc(CC)no1)c1ccccc1 ZINC000678785565 543558262 /nfs/dbraw/zinc/55/82/62/543558262.db2.gz KSTHYKKLXJEXCB-AWEZNQCLSA-N 1 2 271.364 3.429 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678891520 543569924 /nfs/dbraw/zinc/56/99/24/543569924.db2.gz SNNSJKXQEIYMDU-GFCCVEGCSA-N 1 2 272.352 3.201 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(C(C)(C)C)no1 ZINC000075732289 165100014 /nfs/dbraw/zinc/10/00/14/165100014.db2.gz MLXNZKJMIMLWTE-NSHDSACASA-N 1 2 284.363 3.090 20 30 CGEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000037306440 173110469 /nfs/dbraw/zinc/11/04/69/173110469.db2.gz SAKDWKUUFFNLAM-UHFFFAOYSA-N 1 2 294.280 3.276 20 30 CGEDLO C#CC[N@@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078719192 177375114 /nfs/dbraw/zinc/37/51/14/177375114.db2.gz FECKYUJEGXORPP-UHFFFAOYSA-N 1 2 289.766 3.235 20 30 CGEDLO C#CC[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078719192 177375116 /nfs/dbraw/zinc/37/51/16/177375116.db2.gz FECKYUJEGXORPP-UHFFFAOYSA-N 1 2 289.766 3.235 20 30 CGEDLO C=CC[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000679425369 543636206 /nfs/dbraw/zinc/63/62/06/543636206.db2.gz QDEIYTYLKIGGBF-KRWDZBQOSA-N 1 2 297.402 3.048 20 30 CGEDLO C=CC[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000679425369 543636208 /nfs/dbraw/zinc/63/62/08/543636208.db2.gz QDEIYTYLKIGGBF-KRWDZBQOSA-N 1 2 297.402 3.048 20 30 CGEDLO CCC#C[C@H](C)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000680900581 543744966 /nfs/dbraw/zinc/74/49/66/543744966.db2.gz TWGWSTYQIKWRFK-LSDHHAIUSA-N 1 2 276.449 3.229 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000680426881 543710975 /nfs/dbraw/zinc/71/09/75/543710975.db2.gz JTSULUMGYGZMSF-UONOGXRCSA-N 1 2 283.375 3.113 20 30 CGEDLO N#CC1(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CCC1 ZINC000334956851 225375998 /nfs/dbraw/zinc/37/59/98/225375998.db2.gz GNLLLHVEPMJYRB-UHFFFAOYSA-N 1 2 280.253 3.144 20 30 CGEDLO C=CCC1(NC(=O)NCc2ccn3cc[nH+]c3c2)CCCC1 ZINC000664451628 418961252 /nfs/dbraw/zinc/96/12/52/418961252.db2.gz YTMCZQQGLJLILZ-UHFFFAOYSA-N 1 2 298.390 3.022 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)nn1 ZINC000653474975 419032255 /nfs/dbraw/zinc/03/22/55/419032255.db2.gz JLVLZOBVMVHFIN-CYBMUJFWSA-N 1 2 288.370 3.186 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)nn1 ZINC000653474975 419032257 /nfs/dbraw/zinc/03/22/57/419032257.db2.gz JLVLZOBVMVHFIN-CYBMUJFWSA-N 1 2 288.370 3.186 20 30 CGEDLO C=CC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000659917907 419033782 /nfs/dbraw/zinc/03/37/82/419033782.db2.gz UFKGVXUCGAOSRB-UHFFFAOYSA-N 1 2 287.226 3.304 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656276246 419163253 /nfs/dbraw/zinc/16/32/53/419163253.db2.gz CSAAOJUTDUHQQJ-QJPTWQEYSA-N 1 2 265.319 3.431 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@H](C)OCC)n1)[C@H](C)COC ZINC000661244615 419244354 /nfs/dbraw/zinc/24/43/54/419244354.db2.gz WMFIVUIAZSYJER-OLZOCXBDSA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@H](C)OCC)n1)[C@H](C)COC ZINC000661244615 419244356 /nfs/dbraw/zinc/24/43/56/419244356.db2.gz WMFIVUIAZSYJER-OLZOCXBDSA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000666493321 419222921 /nfs/dbraw/zinc/22/29/21/419222921.db2.gz XLJMXPLICZUDAL-DZGCQCFKSA-N 1 2 273.380 3.068 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)cs2)o1 ZINC000331412714 228097892 /nfs/dbraw/zinc/09/78/92/228097892.db2.gz PVYFYGPAFDFBNF-DGCLKSJQSA-N 1 2 287.388 3.493 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3C#N)cs2)o1 ZINC000331412713 228098420 /nfs/dbraw/zinc/09/84/20/228098420.db2.gz PVYFYGPAFDFBNF-AAEUAGOBSA-N 1 2 287.388 3.493 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000331415136 228098458 /nfs/dbraw/zinc/09/84/58/228098458.db2.gz QFQYCJUKTAYNLM-ZYHUDNBSSA-N 1 2 273.361 3.185 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000662081185 419333640 /nfs/dbraw/zinc/33/36/40/419333640.db2.gz WDCQKFSVOWAERO-UFPBRMSXSA-N 1 2 286.419 3.007 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000662081185 419333642 /nfs/dbraw/zinc/33/36/42/419333642.db2.gz WDCQKFSVOWAERO-UFPBRMSXSA-N 1 2 286.419 3.007 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1[nH]ncc1Br ZINC000657890033 419411013 /nfs/dbraw/zinc/41/10/13/419411013.db2.gz KRIYZRUKUZFKSG-PWSUYJOCSA-N 1 2 298.228 3.397 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000297733966 260133290 /nfs/dbraw/zinc/13/32/90/260133290.db2.gz CTHCHWCVJIOQDS-CYBMUJFWSA-N 1 2 269.348 3.472 20 30 CGEDLO N#CC1CC[NH+](Cc2sccc2Br)CC1 ZINC000070217378 260154517 /nfs/dbraw/zinc/15/45/17/260154517.db2.gz KHDHSFMLFJKZSI-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000116379830 260676494 /nfs/dbraw/zinc/67/64/94/260676494.db2.gz MRLXYBCNHDYKDX-UHFFFAOYSA-N 1 2 283.331 3.178 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000116379830 260676495 /nfs/dbraw/zinc/67/64/95/260676495.db2.gz MRLXYBCNHDYKDX-UHFFFAOYSA-N 1 2 283.331 3.178 20 30 CGEDLO CCCn1nc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000354025795 262279988 /nfs/dbraw/zinc/27/99/88/262279988.db2.gz JMHIEJCMFQRXPG-GFCCVEGCSA-N 1 2 274.412 3.034 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000354025795 262279989 /nfs/dbraw/zinc/27/99/89/262279989.db2.gz JMHIEJCMFQRXPG-GFCCVEGCSA-N 1 2 274.412 3.034 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354025592 262279997 /nfs/dbraw/zinc/27/99/97/262279997.db2.gz GILHKROZYINYCX-LBPRGKRZSA-N 1 2 288.439 3.379 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354025592 262279998 /nfs/dbraw/zinc/27/99/98/262279998.db2.gz GILHKROZYINYCX-LBPRGKRZSA-N 1 2 288.439 3.379 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379447 262375935 /nfs/dbraw/zinc/37/59/35/262375935.db2.gz JCIXFWZCMNAPSU-ONGXEEELSA-N 1 2 266.797 3.452 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379447 262375936 /nfs/dbraw/zinc/37/59/36/262375936.db2.gz JCIXFWZCMNAPSU-ONGXEEELSA-N 1 2 266.797 3.452 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1nc(Cc2ccccc2)no1 ZINC000274499836 263024728 /nfs/dbraw/zinc/02/47/28/263024728.db2.gz KHXKQHDTZARRET-CFVMTHIKSA-N 1 2 296.374 3.003 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000276292443 263035511 /nfs/dbraw/zinc/03/55/11/263035511.db2.gz IDRFIVUGHJJIIO-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000276292443 263035512 /nfs/dbraw/zinc/03/55/12/263035512.db2.gz IDRFIVUGHJJIIO-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO Cc1cnc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)s1 ZINC000277636275 263042683 /nfs/dbraw/zinc/04/26/83/263042683.db2.gz ZEMOWHYXCDANMA-CYBMUJFWSA-N 1 2 288.420 3.074 20 30 CGEDLO CC(C)(CCC#N)C[NH2+]c1ccc(OCCCO)cc1 ZINC000285584033 263094287 /nfs/dbraw/zinc/09/42/87/263094287.db2.gz VLFBMPXBUAGWDB-UHFFFAOYSA-N 1 2 276.380 3.190 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286035368 263096976 /nfs/dbraw/zinc/09/69/76/263096976.db2.gz JLNPEEAZPRAMHZ-LBPRGKRZSA-N 1 2 253.777 3.373 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCC(F)(F)C1 ZINC000340290547 263104912 /nfs/dbraw/zinc/10/49/12/263104912.db2.gz PKIOMXAFQXLGQR-LBPRGKRZSA-N 1 2 268.307 3.431 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCC(F)(F)C1 ZINC000340290547 263104913 /nfs/dbraw/zinc/10/49/13/263104913.db2.gz PKIOMXAFQXLGQR-LBPRGKRZSA-N 1 2 268.307 3.431 20 30 CGEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCC#N)[nH]c2c1 ZINC000289306211 263108783 /nfs/dbraw/zinc/10/87/83/263108783.db2.gz ISVIWFFNCPWQAP-HNNXBMFYSA-N 1 2 268.364 3.312 20 30 CGEDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCC#N)[nH]c2c1 ZINC000289306211 263108784 /nfs/dbraw/zinc/10/87/84/263108784.db2.gz ISVIWFFNCPWQAP-HNNXBMFYSA-N 1 2 268.364 3.312 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCSc1ccccc1F ZINC000292215753 263129619 /nfs/dbraw/zinc/12/96/19/263129619.db2.gz OQUNYHYMPZDYNG-UHFFFAOYSA-N 1 2 264.369 3.319 20 30 CGEDLO C=CC[N@H+](CCC#N)CCSc1ccccc1F ZINC000292215753 263129620 /nfs/dbraw/zinc/12/96/20/263129620.db2.gz OQUNYHYMPZDYNG-UHFFFAOYSA-N 1 2 264.369 3.319 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831499 263135545 /nfs/dbraw/zinc/13/55/45/263135545.db2.gz OUOOCVTVCQUUTQ-DGCLKSJQSA-N 1 2 283.350 3.357 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831499 263135546 /nfs/dbraw/zinc/13/55/46/263135546.db2.gz OUOOCVTVCQUUTQ-DGCLKSJQSA-N 1 2 283.350 3.357 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nccn1CC)c1ccco1 ZINC000296548185 263192512 /nfs/dbraw/zinc/19/25/12/263192512.db2.gz RJUWZIKHRJLQQH-CYBMUJFWSA-N 1 2 259.353 3.293 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000298518698 263220877 /nfs/dbraw/zinc/22/08/77/263220877.db2.gz LGZDXAYBIWQJOQ-LLVKDONJSA-N 1 2 293.208 3.499 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2cc(Br)ccc2C1 ZINC000298518698 263220878 /nfs/dbraw/zinc/22/08/78/263220878.db2.gz LGZDXAYBIWQJOQ-LLVKDONJSA-N 1 2 293.208 3.499 20 30 CGEDLO O=C(Nc1cccc2c1OCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000328935072 263892967 /nfs/dbraw/zinc/89/29/67/263892967.db2.gz JBLDCHOLPSSJET-ZDUSSCGKSA-N 1 2 297.358 3.059 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@@H](C)c2c(C)cccc2C)c[nH+]1 ZINC000330879063 264061282 /nfs/dbraw/zinc/06/12/82/264061282.db2.gz XSVLKTDTXQERBQ-NSHDSACASA-N 1 2 257.337 3.401 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330855071 264069406 /nfs/dbraw/zinc/06/94/06/264069406.db2.gz RVENUKAYXNZODN-GOEBONIOSA-N 1 2 299.418 3.339 20 30 CGEDLO CCOc1c(C[NH2+][C@H](CC)CC#N)c(C)nn1CC(C)C ZINC000358301568 266451132 /nfs/dbraw/zinc/45/11/32/266451132.db2.gz QLTUUNCJIUVBTL-CQSZACIVSA-N 1 2 292.427 3.028 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)C#N ZINC000437400142 267069676 /nfs/dbraw/zinc/06/96/76/267069676.db2.gz IADBOCFICJTXPV-NSHDSACASA-N 1 2 293.317 3.141 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)C#N ZINC000437400142 267069679 /nfs/dbraw/zinc/06/96/79/267069679.db2.gz IADBOCFICJTXPV-NSHDSACASA-N 1 2 293.317 3.141 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)no1 ZINC000363285380 267084973 /nfs/dbraw/zinc/08/49/73/267084973.db2.gz JLNADFIIZWTULJ-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)no1 ZINC000363285380 267084974 /nfs/dbraw/zinc/08/49/74/267084974.db2.gz JLNADFIIZWTULJ-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO CCCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369299853 267233846 /nfs/dbraw/zinc/23/38/46/267233846.db2.gz WNVKAZLDVLXJEL-CABCVRRESA-N 1 2 250.386 3.104 20 30 CGEDLO CCCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000369299853 267233850 /nfs/dbraw/zinc/23/38/50/267233850.db2.gz WNVKAZLDVLXJEL-CABCVRRESA-N 1 2 250.386 3.104 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000123260901 268019391 /nfs/dbraw/zinc/01/93/91/268019391.db2.gz VSFDMTKHZWVTJX-UHFFFAOYSA-N 1 2 256.271 3.441 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000123260901 268019393 /nfs/dbraw/zinc/01/93/93/268019393.db2.gz VSFDMTKHZWVTJX-UHFFFAOYSA-N 1 2 256.271 3.441 20 30 CGEDLO C[C@H]1CN(c2ccc([NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CCO1 ZINC000185749085 327844018 /nfs/dbraw/zinc/84/40/18/327844018.db2.gz QWUOBPLPLAMDNY-YQQAZPJKSA-N 1 2 299.418 3.406 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+](CCC#N)C(C)C)s1 ZINC000534337618 328049481 /nfs/dbraw/zinc/04/94/81/328049481.db2.gz ULTAGEOWEGYTFH-UHFFFAOYSA-N 1 2 280.441 3.113 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+](CCC#N)C(C)C)s1 ZINC000534337618 328049483 /nfs/dbraw/zinc/04/94/83/328049483.db2.gz ULTAGEOWEGYTFH-UHFFFAOYSA-N 1 2 280.441 3.113 20 30 CGEDLO COc1ccc([NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000280911789 328237107 /nfs/dbraw/zinc/23/71/07/328237107.db2.gz CNBHHUJHUFQTQS-UHFFFAOYSA-N 1 2 274.364 3.208 20 30 CGEDLO CCCCCCCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290968390 328261181 /nfs/dbraw/zinc/26/11/81/328261181.db2.gz SQDFTWKRVPZTNH-UHFFFAOYSA-N 1 2 277.412 3.366 20 30 CGEDLO C=CCCOCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000536389350 327234876 /nfs/dbraw/zinc/23/48/76/327234876.db2.gz FFSHQKUQJODDLE-UHFFFAOYSA-N 1 2 277.412 3.150 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000559465872 327246997 /nfs/dbraw/zinc/24/69/97/327246997.db2.gz CYBJKDNJQNGDEN-HUUCEWRRSA-N 1 2 286.419 3.482 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000559465872 327246998 /nfs/dbraw/zinc/24/69/98/327246998.db2.gz CYBJKDNJQNGDEN-HUUCEWRRSA-N 1 2 286.419 3.482 20 30 CGEDLO CCO[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)C12CCC2 ZINC000125186605 327390742 /nfs/dbraw/zinc/39/07/42/327390742.db2.gz OFDCLTCEOLEPFB-CNTTZWEVSA-N 1 2 259.349 3.159 20 30 CGEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000377613003 329020503 /nfs/dbraw/zinc/02/05/03/329020503.db2.gz CQMQRRHFXXADGG-SJORKVTESA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000377613003 329020505 /nfs/dbraw/zinc/02/05/05/329020505.db2.gz CQMQRRHFXXADGG-SJORKVTESA-N 1 2 294.402 3.000 20 30 CGEDLO CCCc1ccc2[nH+]ccc(NCC3(C#N)CC3)c2c1 ZINC000582706925 329132824 /nfs/dbraw/zinc/13/28/24/329132824.db2.gz PWTZVTRLOWTGQH-UHFFFAOYSA-N 1 2 265.360 3.325 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000181303569 329230630 /nfs/dbraw/zinc/23/06/30/329230630.db2.gz FADRSXYUVIMOMF-UHFFFAOYSA-N 1 2 279.290 3.023 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000181303569 329230632 /nfs/dbraw/zinc/23/06/32/329230632.db2.gz FADRSXYUVIMOMF-UHFFFAOYSA-N 1 2 279.290 3.023 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1OC ZINC000184092766 329256210 /nfs/dbraw/zinc/25/62/10/329256210.db2.gz IQTZWQFVWKAQIF-LBPRGKRZSA-N 1 2 297.196 3.240 20 30 CGEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)CC[C@@H]1C(F)(F)F ZINC000190169878 329392568 /nfs/dbraw/zinc/39/25/68/329392568.db2.gz NRDRDRLVICDUJO-RYUDHWBXSA-N 1 2 287.329 3.340 20 30 CGEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)CC[C@@H]1C(F)(F)F ZINC000190169878 329392569 /nfs/dbraw/zinc/39/25/69/329392569.db2.gz NRDRDRLVICDUJO-RYUDHWBXSA-N 1 2 287.329 3.340 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)nn1 ZINC000424301461 330337920 /nfs/dbraw/zinc/33/79/20/330337920.db2.gz ZYICQLWGWLNVNW-LBPRGKRZSA-N 1 2 282.347 3.061 20 30 CGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000437568819 330702846 /nfs/dbraw/zinc/70/28/46/330702846.db2.gz OCAWUYFMAPBUTJ-KRWDZBQOSA-N 1 2 299.374 3.040 20 30 CGEDLO C=CCC1(C(=O)Nc2cc[nH+]cc2CC)CCCC1 ZINC000449888857 330953551 /nfs/dbraw/zinc/95/35/51/330953551.db2.gz BBEVPBRZVBADEE-UHFFFAOYSA-N 1 2 258.365 3.141 20 30 CGEDLO COC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000451038933 331013097 /nfs/dbraw/zinc/01/30/97/331013097.db2.gz WIACUTZCAATHJF-CQSZACIVSA-N 1 2 278.783 3.311 20 30 CGEDLO CC#CCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000462370477 331320771 /nfs/dbraw/zinc/32/07/71/331320771.db2.gz NPDONROHCVVKRY-UHFFFAOYSA-N 1 2 255.317 3.344 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000488573042 332018509 /nfs/dbraw/zinc/01/85/09/332018509.db2.gz ZSYBBQMPAJUNBP-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000488573042 332018510 /nfs/dbraw/zinc/01/85/10/332018510.db2.gz ZSYBBQMPAJUNBP-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000489504450 332057338 /nfs/dbraw/zinc/05/73/38/332057338.db2.gz ADMQLMZABBBPIZ-CYBMUJFWSA-N 1 2 261.369 3.268 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000489504450 332057339 /nfs/dbraw/zinc/05/73/39/332057339.db2.gz ADMQLMZABBBPIZ-CYBMUJFWSA-N 1 2 261.369 3.268 20 30 CGEDLO C#CC[N@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000491179473 332160921 /nfs/dbraw/zinc/16/09/21/332160921.db2.gz FUDLQYJVJPHLDO-UHFFFAOYSA-N 1 2 281.384 3.031 20 30 CGEDLO C#CC[N@@H+](Cc1cn2ccsc2n1)Cc1ccccc1 ZINC000491179473 332160922 /nfs/dbraw/zinc/16/09/22/332160922.db2.gz FUDLQYJVJPHLDO-UHFFFAOYSA-N 1 2 281.384 3.031 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(CC(C)C)c1)c1ccc(F)cc1 ZINC000491276958 332179311 /nfs/dbraw/zinc/17/93/11/332179311.db2.gz LSTAPCOGOPZIHU-KRWDZBQOSA-N 1 2 285.366 3.142 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000491371954 332198749 /nfs/dbraw/zinc/19/87/49/332198749.db2.gz HCOUOOZAAHTMDA-LLVKDONJSA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000491371954 332198750 /nfs/dbraw/zinc/19/87/50/332198750.db2.gz HCOUOOZAAHTMDA-LLVKDONJSA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1scnc1C)c1ccc(F)cc1 ZINC000491808479 332361381 /nfs/dbraw/zinc/36/13/81/332361381.db2.gz WCCLCKRMAFZRHJ-CYBMUJFWSA-N 1 2 260.337 3.055 20 30 CGEDLO C=CCN(C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000492326910 332392623 /nfs/dbraw/zinc/39/26/23/332392623.db2.gz XZJNWTAVWPCHNI-YHYXMXQVSA-N 1 2 293.370 3.063 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000505892099 332756753 /nfs/dbraw/zinc/75/67/53/332756753.db2.gz WGJMPALPGXNAMG-UHFFFAOYSA-N 1 2 291.439 3.420 20 30 CGEDLO CC1(C)COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177042876 333052750 /nfs/dbraw/zinc/05/27/50/333052750.db2.gz DLTDTTMLUVYUFX-UHFFFAOYSA-N 1 2 297.320 3.168 20 30 CGEDLO CC1(C)COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177042876 333052751 /nfs/dbraw/zinc/05/27/51/333052751.db2.gz DLTDTTMLUVYUFX-UHFFFAOYSA-N 1 2 297.320 3.168 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185878757 333151013 /nfs/dbraw/zinc/15/10/13/333151013.db2.gz PNAJMIIJLDGCEJ-MELADBBJSA-N 1 2 280.412 3.025 20 30 CGEDLO CCOC[C@@H]([NH2+][C@H](C#N)C1CCCCC1)C(C)C ZINC000189806443 333199377 /nfs/dbraw/zinc/19/93/77/333199377.db2.gz NAIMOTLFCPCGKI-HUUCEWRRSA-N 1 2 252.402 3.110 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000523016841 333304713 /nfs/dbraw/zinc/30/47/13/333304713.db2.gz HFSPHOMJIPOSLH-AWEZNQCLSA-N 1 2 285.366 3.449 20 30 CGEDLO Cc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1F ZINC000545928629 334007264 /nfs/dbraw/zinc/00/72/64/334007264.db2.gz IJLKCNOIARLYHZ-UHFFFAOYSA-N 1 2 255.296 3.207 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1nc2ccccc2o1 ZINC000133245317 334030175 /nfs/dbraw/zinc/03/01/75/334030175.db2.gz WOQXUPBFLKFSPX-UHFFFAOYSA-N 1 2 294.329 3.450 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1nc2ccccc2o1 ZINC000133245317 334030177 /nfs/dbraw/zinc/03/01/77/334030177.db2.gz WOQXUPBFLKFSPX-UHFFFAOYSA-N 1 2 294.329 3.450 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2csc(C3CC3)n2)c1 ZINC000547340022 334081183 /nfs/dbraw/zinc/08/11/83/334081183.db2.gz MTXSFCIOKBRTFK-UHFFFAOYSA-N 1 2 270.361 3.094 20 30 CGEDLO Cc1ccc(F)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000547341409 334081290 /nfs/dbraw/zinc/08/12/90/334081290.db2.gz VAISBISRKKIONB-UHFFFAOYSA-N 1 2 255.296 3.207 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000550491949 334223329 /nfs/dbraw/zinc/22/33/29/334223329.db2.gz YFOCXPZZJKKRHH-UHFFFAOYSA-N 1 2 284.428 3.383 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000550491949 334223330 /nfs/dbraw/zinc/22/33/30/334223330.db2.gz YFOCXPZZJKKRHH-UHFFFAOYSA-N 1 2 284.428 3.383 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(Br)c1F ZINC000295375596 334903128 /nfs/dbraw/zinc/90/31/28/334903128.db2.gz JYAVOXTXIITKNQ-JTQLQIEISA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC000176768437 335330426 /nfs/dbraw/zinc/33/04/26/335330426.db2.gz NZOJTAIDZAFQAO-UHFFFAOYSA-N 1 2 294.358 3.234 20 30 CGEDLO CC(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1nc2ccccc2[nH]1 ZINC000577741210 335395262 /nfs/dbraw/zinc/39/52/62/335395262.db2.gz AAUYXEYGDIGTFR-XJKSGUPXSA-N 1 2 295.390 3.293 20 30 CGEDLO Cc1cc(NC[C@@H]2SCCc3ccccc32)c(C#N)c[nH+]1 ZINC000425222656 534033965 /nfs/dbraw/zinc/03/39/65/534033965.db2.gz ASSVMWKVCHTJMR-KRWDZBQOSA-N 1 2 295.411 3.126 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccncc1F ZINC000425366217 534082227 /nfs/dbraw/zinc/08/22/27/534082227.db2.gz OVJLRHSSWVXUOU-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1F ZINC000425366217 534082231 /nfs/dbraw/zinc/08/22/31/534082231.db2.gz OVJLRHSSWVXUOU-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC000330067133 534218419 /nfs/dbraw/zinc/21/84/19/534218419.db2.gz UFKXEHZBZKSZAU-CXAGYDPISA-N 1 2 297.358 3.400 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000332190113 534529243 /nfs/dbraw/zinc/52/92/43/534529243.db2.gz PHDKGUMGAXUNDQ-GJZGRUSLSA-N 1 2 281.359 3.432 20 30 CGEDLO C=CC[N@@H+](Cc1conc1CC)Cc1cccc(C#N)c1 ZINC000350700375 526381604 /nfs/dbraw/zinc/38/16/04/526381604.db2.gz NOXDRYKKAWNJHH-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO C=CC[N@H+](Cc1conc1CC)Cc1cccc(C#N)c1 ZINC000350700375 526381607 /nfs/dbraw/zinc/38/16/07/526381607.db2.gz NOXDRYKKAWNJHH-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO COC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000452040135 536505572 /nfs/dbraw/zinc/50/55/72/536505572.db2.gz PSKMSDBTVYABLB-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000452040135 536505582 /nfs/dbraw/zinc/50/55/82/536505582.db2.gz PSKMSDBTVYABLB-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[N@H+](Cc1cccs1)Cc1nc(C#N)cs1 ZINC000356065336 528855164 /nfs/dbraw/zinc/85/51/64/528855164.db2.gz ZZETZLYSYGTRIB-UHFFFAOYSA-N 1 2 263.391 3.098 20 30 CGEDLO CC[N@@H+](Cc1cccs1)Cc1nc(C#N)cs1 ZINC000356065336 528855167 /nfs/dbraw/zinc/85/51/67/528855167.db2.gz ZZETZLYSYGTRIB-UHFFFAOYSA-N 1 2 263.391 3.098 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@H](C)c2ccncc2)c1O ZINC000749846652 571727594 /nfs/dbraw/zinc/72/75/94/571727594.db2.gz ZDINCNUFPSAHKZ-SJWFJVLYSA-N 1 2 270.332 3.018 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)nc1 ZINC000727260095 571736064 /nfs/dbraw/zinc/73/60/64/571736064.db2.gz PLOHZBDYVNYXMA-UHFFFAOYSA-N 1 2 293.374 3.186 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CC[C@@H](SC)C2)c1O ZINC000743042309 572392923 /nfs/dbraw/zinc/39/29/23/572392923.db2.gz ITXCPZRMMNURJQ-ZOPJJOQRSA-N 1 2 265.378 3.104 20 30 CGEDLO CCN(CC)c1ccc(C=[NH+]Nc2cc(C)ncn2)cc1 ZINC000731935423 572439181 /nfs/dbraw/zinc/43/91/81/572439181.db2.gz YBYORCDMKINEED-UHFFFAOYSA-N 1 2 283.379 3.077 20 30 CGEDLO Oc1cccc(/C=[NH+]\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC000741843809 572534207 /nfs/dbraw/zinc/53/42/07/572534207.db2.gz MHMODHXIADPUSK-RQSUVKSXSA-N 1 2 259.349 3.486 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000733903656 572611588 /nfs/dbraw/zinc/61/15/88/572611588.db2.gz NWJNPJJNAUVBDC-SYRODZOTSA-N 1 2 277.364 3.439 20 30 CGEDLO Cc1cccc2oc(CC/[NH+]=C/c3cccc(O)c3O)nc21 ZINC000743045711 572635995 /nfs/dbraw/zinc/63/59/95/572635995.db2.gz UUQGPLLYIAWWGC-VCHYOVAHSA-N 1 2 296.326 3.209 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@H](CCC)CC1=O ZINC000743350323 572649800 /nfs/dbraw/zinc/64/98/00/572649800.db2.gz ZGLJURJXCBANOT-KRWDZBQOSA-N 1 2 286.419 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@H](CCC)CC1=O ZINC000743350323 572649805 /nfs/dbraw/zinc/64/98/05/572649805.db2.gz ZGLJURJXCBANOT-KRWDZBQOSA-N 1 2 286.419 3.281 20 30 CGEDLO CCc1ccc(CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000735303107 572713713 /nfs/dbraw/zinc/71/37/13/572713713.db2.gz LCYGTHTUKNNIFW-UHFFFAOYSA-N 1 2 272.323 3.225 20 30 CGEDLO C=CC[N@@H+](Cc1nc([C@H](C)OCC(C)C)no1)C(C)C ZINC000745942928 572839949 /nfs/dbraw/zinc/83/99/49/572839949.db2.gz UIZWQNGQMJPHMB-ZDUSSCGKSA-N 1 2 281.400 3.200 20 30 CGEDLO C=CC[N@H+](Cc1nc([C@H](C)OCC(C)C)no1)C(C)C ZINC000745942928 572839952 /nfs/dbraw/zinc/83/99/52/572839952.db2.gz UIZWQNGQMJPHMB-ZDUSSCGKSA-N 1 2 281.400 3.200 20 30 CGEDLO CCC1(C/[NH+]=C/c2c(O)cccc2OC)CCOCC1 ZINC000745977196 572845956 /nfs/dbraw/zinc/84/59/56/572845956.db2.gz QODDGWBSRNFTFV-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CC[C@@H](/[NH+]=C\c1cc(OC)ccc1O)C1CCOCC1 ZINC000746393905 572869487 /nfs/dbraw/zinc/86/94/87/572869487.db2.gz MFNVVEJAEURZBW-QJISPJEISA-N 1 2 277.364 3.025 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2COc3ccccc3C2)c1 ZINC000747713469 572942602 /nfs/dbraw/zinc/94/26/02/572942602.db2.gz ZZMGNEGJVSIADP-JFENUBAZSA-N 1 2 297.354 3.071 20 30 CGEDLO C=CCCCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000748371188 572974945 /nfs/dbraw/zinc/97/49/45/572974945.db2.gz JVSVDGJJSOQIQW-INIZCTEOSA-N 1 2 297.402 3.176 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(O)c3)n21 ZINC000748997175 572987874 /nfs/dbraw/zinc/98/78/74/572987874.db2.gz AIGFDVYIEXYQND-HJWRWDBZSA-N 1 2 278.311 3.244 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@H](C)Cc2ccncc2)c(O)c1 ZINC000749844587 573046378 /nfs/dbraw/zinc/04/63/78/573046378.db2.gz KVFFGBAHUHOFQC-KZKLBEMASA-N 1 2 284.359 3.236 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000981781900 613373351 /nfs/dbraw/zinc/37/33/51/613373351.db2.gz JXFNODJHFFKSDM-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000981781900 613373352 /nfs/dbraw/zinc/37/33/52/613373352.db2.gz JXFNODJHFFKSDM-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000890888504 617890966 /nfs/dbraw/zinc/89/09/66/617890966.db2.gz DNGSTWVNPKJGRQ-LBPRGKRZSA-N 1 2 269.348 3.260 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000890888504 617890971 /nfs/dbraw/zinc/89/09/71/617890971.db2.gz DNGSTWVNPKJGRQ-LBPRGKRZSA-N 1 2 269.348 3.260 20 30 CGEDLO CCOC(C)(C)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926233574 618301269 /nfs/dbraw/zinc/30/12/69/618301269.db2.gz YMGZGNHMJZKILH-AWEZNQCLSA-N 1 2 276.380 3.120 20 30 CGEDLO CCc1cc(NCc2ccc(C#N)cc2)nc(CC)[nH+]1 ZINC000891869888 618352194 /nfs/dbraw/zinc/35/21/94/618352194.db2.gz OMHPLGPLPFDYFS-UHFFFAOYSA-N 1 2 266.348 3.085 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccns1)c1cccc(C#N)c1O ZINC000926834904 618922595 /nfs/dbraw/zinc/92/25/95/618922595.db2.gz BCYVYJGCKMYHSW-CQSZACIVSA-N 1 2 287.388 3.004 20 30 CGEDLO C#CC[C@H]([NH2+][C@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000925636798 619100140 /nfs/dbraw/zinc/10/01/40/619100140.db2.gz FKXIDHZONIWFPG-ZBFHGGJFSA-N 1 2 282.391 3.274 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000931062846 619108009 /nfs/dbraw/zinc/10/80/09/619108009.db2.gz MRSYQQSPISZMJD-INIZCTEOSA-N 1 2 267.332 3.077 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000931062846 619108012 /nfs/dbraw/zinc/10/80/12/619108012.db2.gz MRSYQQSPISZMJD-INIZCTEOSA-N 1 2 267.332 3.077 20 30 CGEDLO C=C(Br)C[NH2+]Cc1c(F)cccc1Cl ZINC000105453836 619236994 /nfs/dbraw/zinc/23/69/94/619236994.db2.gz WSXWWORUDAFWLO-UHFFFAOYSA-N 1 2 278.552 3.477 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(F)cc1 ZINC000894575702 619579726 /nfs/dbraw/zinc/57/97/26/619579726.db2.gz VCOZQFPDQMFTEH-KRWDZBQOSA-N 1 2 283.350 3.211 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000840707492 620089579 /nfs/dbraw/zinc/08/95/79/620089579.db2.gz PFQJCSDBKCMFHF-RNEAKCBISA-N 1 2 289.375 3.169 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@H]2CCOC3(CCC3)C2)c1O ZINC000840707487 620089871 /nfs/dbraw/zinc/08/98/71/620089871.db2.gz PFQJCSDBKCMFHF-CYUIRQCWSA-N 1 2 289.375 3.169 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCOC(C)(C)C2)c1O ZINC000840711713 620140213 /nfs/dbraw/zinc/14/02/13/620140213.db2.gz YRGDAHXPCOKVPF-RNEAKCBISA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(Br)C[N@H+](CC)Cc1ccc(OC)cc1 ZINC000052441814 620327373 /nfs/dbraw/zinc/32/73/73/620327373.db2.gz LEDOAFLCSWSUCZ-UHFFFAOYSA-N 1 2 284.197 3.426 20 30 CGEDLO C=C(Br)C[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000052441814 620327369 /nfs/dbraw/zinc/32/73/69/620327369.db2.gz LEDOAFLCSWSUCZ-UHFFFAOYSA-N 1 2 284.197 3.426 20 30 CGEDLO C=CC(C)(C)[NH2+]Cc1cccc(Br)c1O ZINC000898457511 620590102 /nfs/dbraw/zinc/59/01/02/620590102.db2.gz OOEIFDDYCWBDDW-UHFFFAOYSA-N 1 2 270.170 3.209 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CC[C@H]1CCC2(CCC2)O1 ZINC000899227736 620627279 /nfs/dbraw/zinc/62/72/79/620627279.db2.gz QWKVSHVBNFROOG-MTOJCTJASA-N 1 2 259.349 3.303 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccccc1Br ZINC000042419356 620854899 /nfs/dbraw/zinc/85/48/99/620854899.db2.gz BFBDFQMVFKAEBC-UHFFFAOYSA-N 1 2 260.562 3.291 20 30 CGEDLO CC(C)Oc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901439781 620888239 /nfs/dbraw/zinc/88/82/39/620888239.db2.gz WNEQQZBAGRLRDF-RMKNXTFCSA-N 1 2 270.332 3.103 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2cc(F)ccc2C1=O ZINC000901475975 620890980 /nfs/dbraw/zinc/89/09/80/620890980.db2.gz BJTUREHPSKWUJV-GHXNOFRVSA-N 1 2 270.307 3.426 20 30 CGEDLO COc1ccc(O)c(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901481299 620892258 /nfs/dbraw/zinc/89/22/58/620892258.db2.gz ADXGBSITZHSIFU-GQCTYLIASA-N 1 2 286.331 3.074 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\COc2cc(C)cc(C)c2C1=O ZINC000901459913 620894560 /nfs/dbraw/zinc/89/45/60/620894560.db2.gz YDFZJHHUQQPIRB-NTUHNPAUSA-N 1 2 282.343 3.179 20 30 CGEDLO Cc1cccc2c1OC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901459917 620894809 /nfs/dbraw/zinc/89/48/09/620894809.db2.gz YHKCIDQTWOMBCR-NTUHNPAUSA-N 1 2 282.343 3.431 20 30 CGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000901489367 620898783 /nfs/dbraw/zinc/89/87/83/620898783.db2.gz KEHYRBSQWWFEKH-YFHOEESVSA-N 1 2 284.359 3.494 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccc(OC)cc2C1(C)C ZINC000901500128 620903076 /nfs/dbraw/zinc/90/30/76/620903076.db2.gz HMIORDDMQFATPC-PXNMLYILSA-N 1 2 296.370 3.469 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCOc2cc(C)ccc2C1=O ZINC000901485774 620910575 /nfs/dbraw/zinc/91/05/75/620910575.db2.gz OMWZIEAMZCKXEU-LCYFTJDESA-N 1 2 282.343 3.260 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\Cc2cccc(C)c2C1=O ZINC000901520920 620912698 /nfs/dbraw/zinc/91/26/98/620912698.db2.gz ZSHHDPWQNREYKA-MDWZMJQESA-N 1 2 252.317 3.034 20 30 CGEDLO CCn1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000902402061 621306675 /nfs/dbraw/zinc/30/66/75/621306675.db2.gz AHBANOUXZLUACI-MRXNPFEDSA-N 1 2 268.364 3.038 20 30 CGEDLO CCn1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000902402060 621307167 /nfs/dbraw/zinc/30/71/67/621307167.db2.gz AHBANOUXZLUACI-INIZCTEOSA-N 1 2 268.364 3.038 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C(C)C)n(C)c1=S ZINC000902668695 621395918 /nfs/dbraw/zinc/39/59/18/621395918.db2.gz DEUCTCOOYVHQLU-UHFFFAOYSA-N 1 2 282.457 3.320 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C(C)C)n(C)c1=S ZINC000902668695 621395920 /nfs/dbraw/zinc/39/59/20/621395920.db2.gz DEUCTCOOYVHQLU-UHFFFAOYSA-N 1 2 282.457 3.320 20 30 CGEDLO C#CC[C@@H]([NH2+][C@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000902888618 621486340 /nfs/dbraw/zinc/48/63/40/621486340.db2.gz UPWNPKQUAFPJPF-GDBMZVCRSA-N 1 2 282.391 3.103 20 30 CGEDLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)o1 ZINC000903000166 621524525 /nfs/dbraw/zinc/52/45/25/621524525.db2.gz SXQQUYWEMKIAHU-NSHDSACASA-N 1 2 284.363 3.053 20 30 CGEDLO C#CCC1(c2nc(-c3ccc(N)[nH+]c3C)no2)CCCCC1 ZINC000904261582 621898293 /nfs/dbraw/zinc/89/82/93/621898293.db2.gz HANDIROGJWZKHJ-UHFFFAOYSA-N 1 2 296.374 3.247 20 30 CGEDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000905722976 622100408 /nfs/dbraw/zinc/10/04/08/622100408.db2.gz VGWQAQXDVMYNQQ-GFCCVEGCSA-N 1 2 288.391 3.131 20 30 CGEDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000905722976 622100412 /nfs/dbraw/zinc/10/04/12/622100412.db2.gz VGWQAQXDVMYNQQ-GFCCVEGCSA-N 1 2 288.391 3.131 20 30 CGEDLO C[C@@H](C#N)OCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000802752016 622376194 /nfs/dbraw/zinc/37/61/94/622376194.db2.gz NMYWXLOFQDYFRE-ZDUSSCGKSA-N 1 2 287.388 3.034 20 30 CGEDLO C=CCn1c(C)nn(C[NH+]2CCC(C(C)C)CC2)c1=S ZINC000172955527 623300231 /nfs/dbraw/zinc/30/02/31/623300231.db2.gz ZIQBVXJZBJGCAE-UHFFFAOYSA-N 1 2 294.468 3.234 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993061813 623812713 /nfs/dbraw/zinc/81/27/13/623812713.db2.gz XYAIFURJOUDVNB-YPMHNXCESA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993061813 623812715 /nfs/dbraw/zinc/81/27/15/623812715.db2.gz XYAIFURJOUDVNB-YPMHNXCESA-N 1 2 298.839 3.083 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000764684264 623931062 /nfs/dbraw/zinc/93/10/62/623931062.db2.gz VNJQHGXNTILKSL-UHFFFAOYSA-N 1 2 268.385 3.408 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2ccccc2)cs1)C1CC1 ZINC000764684264 623931068 /nfs/dbraw/zinc/93/10/68/623931068.db2.gz VNJQHGXNTILKSL-UHFFFAOYSA-N 1 2 268.385 3.408 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993775146 624062739 /nfs/dbraw/zinc/06/27/39/624062739.db2.gz NKDSPIVKXKJBHO-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993775146 624062744 /nfs/dbraw/zinc/06/27/44/624062744.db2.gz NKDSPIVKXKJBHO-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993784318 624064148 /nfs/dbraw/zinc/06/41/48/624064148.db2.gz CKVGUOGTRKGJIE-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993784318 624064150 /nfs/dbraw/zinc/06/41/50/624064150.db2.gz CKVGUOGTRKGJIE-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000916244867 624129320 /nfs/dbraw/zinc/12/93/20/624129320.db2.gz DHKNURTXCJABEW-UHFFFAOYSA-N 1 2 290.348 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175307763 624629980 /nfs/dbraw/zinc/62/99/80/624629980.db2.gz FUPSSFQOKYYGFK-HNNXBMFYSA-N 1 2 292.810 3.023 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175307763 624629981 /nfs/dbraw/zinc/62/99/81/624629981.db2.gz FUPSSFQOKYYGFK-HNNXBMFYSA-N 1 2 292.810 3.023 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000179567349 624666449 /nfs/dbraw/zinc/66/64/49/624666449.db2.gz RIQUAGNWMJPMSC-OAHLLOKOSA-N 1 2 280.371 3.077 20 30 CGEDLO C#CCOc1ccccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000179567349 624666452 /nfs/dbraw/zinc/66/64/52/624666452.db2.gz RIQUAGNWMJPMSC-OAHLLOKOSA-N 1 2 280.371 3.077 20 30 CGEDLO Cc1ccc(C)c(OCCO[NH+]=C(N)Cc2ccccc2)c1 ZINC000072001942 625216228 /nfs/dbraw/zinc/21/62/28/625216228.db2.gz OLISKPQNCOMHLQ-UHFFFAOYSA-N 1 2 298.386 3.214 20 30 CGEDLO C=CCCC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000921642467 625740567 /nfs/dbraw/zinc/74/05/67/625740567.db2.gz ABFYWSLLEWEEIF-MRXNPFEDSA-N 1 2 283.375 3.166 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2csc(C#N)c2)s1 ZINC000921822967 625892503 /nfs/dbraw/zinc/89/25/03/625892503.db2.gz MIYGVHQBIDCZIB-UHFFFAOYSA-N 1 2 277.418 3.410 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2nc(C3CC3)cs2)cs1 ZINC000921856668 625911192 /nfs/dbraw/zinc/91/11/92/625911192.db2.gz NKCOXAFMEXUQND-UHFFFAOYSA-N 1 2 275.402 3.243 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)CC2CCCCC2)c1=S ZINC000074068008 626086686 /nfs/dbraw/zinc/08/66/86/626086686.db2.gz DBQWAHPUFCQJHY-UHFFFAOYSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC000074068008 626086687 /nfs/dbraw/zinc/08/66/87/626086687.db2.gz DBQWAHPUFCQJHY-UHFFFAOYSA-N 1 2 294.468 3.378 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753586796 626457159 /nfs/dbraw/zinc/45/71/59/626457159.db2.gz JRIAJPOMDUXKAC-RHSMWYFYSA-N 1 2 283.375 3.103 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753586796 626457161 /nfs/dbraw/zinc/45/71/61/626457161.db2.gz JRIAJPOMDUXKAC-RHSMWYFYSA-N 1 2 283.375 3.103 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cn1ncc(Cl)c1C ZINC000753791713 626465824 /nfs/dbraw/zinc/46/58/24/626465824.db2.gz VVYRVFWHPWCDKI-UHFFFAOYSA-N 1 2 275.783 3.491 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1ncc(Cl)c1C ZINC000753791713 626465825 /nfs/dbraw/zinc/46/58/25/626465825.db2.gz VVYRVFWHPWCDKI-UHFFFAOYSA-N 1 2 275.783 3.491 20 30 CGEDLO CC(=NO[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000755816187 626650069 /nfs/dbraw/zinc/65/00/69/626650069.db2.gz TZWMKMOOCWFFBH-INIZCTEOSA-N 1 2 285.347 3.140 20 30 CGEDLO C=CCSCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756681177 626726766 /nfs/dbraw/zinc/72/67/66/626726766.db2.gz HTDKLZQNHOANKY-VIFPVBQESA-N 1 2 273.348 3.240 20 30 CGEDLO FC(F)CO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000758906381 626865658 /nfs/dbraw/zinc/86/56/58/626865658.db2.gz GPKPZIDZLGXACD-UHFFFAOYSA-N 1 2 274.336 3.354 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1=S ZINC000759001277 626870218 /nfs/dbraw/zinc/87/02/18/626870218.db2.gz VRJFVHIOUROHHP-LBPRGKRZSA-N 1 2 294.468 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1=S ZINC000759001277 626870222 /nfs/dbraw/zinc/87/02/22/626870222.db2.gz VRJFVHIOUROHHP-LBPRGKRZSA-N 1 2 294.468 3.234 20 30 CGEDLO NC(=[NH+]OCc1ccnc(Cl)c1)c1ccc(Cl)cc1 ZINC000760434180 626969643 /nfs/dbraw/zinc/96/96/43/626969643.db2.gz XMOWOJGFZBNGTH-UHFFFAOYSA-N 1 2 296.157 3.226 20 30 CGEDLO C=CCCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000805219953 627019114 /nfs/dbraw/zinc/01/91/14/627019114.db2.gz BVNGMHSKRNPHQS-UHFFFAOYSA-N 1 2 271.364 3.201 20 30 CGEDLO CN(C)c1cc(CSc2ccc(C#N)cc2F)cc[nH+]1 ZINC000762477562 627111766 /nfs/dbraw/zinc/11/17/66/627111766.db2.gz ATSOCNCDYJZLNN-UHFFFAOYSA-N 1 2 287.363 3.451 20 30 CGEDLO CCCCCCCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000764861208 627230665 /nfs/dbraw/zinc/23/06/65/627230665.db2.gz FMYBLLXXDLUITR-UHFFFAOYSA-N 1 2 292.427 3.086 20 30 CGEDLO CCCCCCCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000764861208 627230667 /nfs/dbraw/zinc/23/06/67/627230667.db2.gz FMYBLLXXDLUITR-UHFFFAOYSA-N 1 2 292.427 3.086 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000765500179 627254460 /nfs/dbraw/zinc/25/44/60/627254460.db2.gz OTYXNFDJHZUUTL-NSHDSACASA-N 1 2 280.755 3.482 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000765500179 627254465 /nfs/dbraw/zinc/25/44/65/627254465.db2.gz OTYXNFDJHZUUTL-NSHDSACASA-N 1 2 280.755 3.482 20 30 CGEDLO C#CCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000767496564 627411554 /nfs/dbraw/zinc/41/15/54/627411554.db2.gz PVJLJRLKSFGXMN-OAHLLOKOSA-N 1 2 280.375 3.022 20 30 CGEDLO C#CCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000767496564 627411555 /nfs/dbraw/zinc/41/15/55/627411555.db2.gz PVJLJRLKSFGXMN-OAHLLOKOSA-N 1 2 280.375 3.022 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccco1 ZINC000769770364 627576888 /nfs/dbraw/zinc/57/68/88/627576888.db2.gz HLMFVJHSLWIVDY-PLNGDYQASA-N 1 2 272.691 3.477 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770399559 627617101 /nfs/dbraw/zinc/61/71/01/627617101.db2.gz AWDYSZFHIOSZKV-UHFFFAOYSA-N 1 2 291.354 3.163 20 30 CGEDLO Clc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771098285 627682272 /nfs/dbraw/zinc/68/22/72/627682272.db2.gz NAQVUYISGQLCHR-UHFFFAOYSA-N 1 2 270.723 3.434 20 30 CGEDLO c1cn2c(cccc2CN=Nc2nccc3sccc32)[nH+]1 ZINC000771096920 627682379 /nfs/dbraw/zinc/68/23/79/627682379.db2.gz HJTCVKSRNFQNQV-UHFFFAOYSA-N 1 2 293.355 3.390 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000775183030 628069353 /nfs/dbraw/zinc/06/93/53/628069353.db2.gz GMEVHHLVMPTKJS-VIFPVBQESA-N 1 2 272.175 3.456 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000775183030 628069356 /nfs/dbraw/zinc/06/93/56/628069356.db2.gz GMEVHHLVMPTKJS-VIFPVBQESA-N 1 2 272.175 3.456 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000775341378 628083625 /nfs/dbraw/zinc/08/36/25/628083625.db2.gz MAMHQOGWTVWOLL-HOTGVXAUSA-N 1 2 298.411 3.081 20 30 CGEDLO C=CC[N@@H+](C)Cn1ccn(Cc2ccccc2)c1=S ZINC000777540929 628280007 /nfs/dbraw/zinc/28/00/07/628280007.db2.gz LVCXSXJWRURPND-UHFFFAOYSA-N 1 2 273.405 3.143 20 30 CGEDLO C=CC[N@H+](C)Cn1ccn(Cc2ccccc2)c1=S ZINC000777540929 628280014 /nfs/dbraw/zinc/28/00/14/628280014.db2.gz LVCXSXJWRURPND-UHFFFAOYSA-N 1 2 273.405 3.143 20 30 CGEDLO N#CCCCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000805697200 628583568 /nfs/dbraw/zinc/58/35/68/628583568.db2.gz VJEIURJTSLTHQN-UHFFFAOYSA-N 1 2 297.358 3.390 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cncc(F)c1 ZINC000783711151 628742125 /nfs/dbraw/zinc/74/21/25/628742125.db2.gz UAAPPFWVBKQBMF-UPHRSURJSA-N 1 2 299.330 3.364 20 30 CGEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000784045049 628771502 /nfs/dbraw/zinc/77/15/02/628771502.db2.gz NCRGPFXUGUCSJE-UHFFFAOYSA-N 1 2 279.343 3.108 20 30 CGEDLO CN(C)c1cc(F)c(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC000862307997 629343171 /nfs/dbraw/zinc/34/31/71/629343171.db2.gz VGFOGDBQTDAZGK-UHFFFAOYSA-N 1 2 293.361 3.156 20 30 CGEDLO CC1(CN=NC2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000793084324 629409425 /nfs/dbraw/zinc/40/94/25/629409425.db2.gz LHJLCKVZYZYVJV-UHFFFAOYSA-N 1 2 286.423 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000796565708 629800891 /nfs/dbraw/zinc/80/08/91/629800891.db2.gz JRMXTUVRSRVYQS-CYBMUJFWSA-N 1 2 281.783 3.291 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000796565708 629800895 /nfs/dbraw/zinc/80/08/95/629800895.db2.gz JRMXTUVRSRVYQS-CYBMUJFWSA-N 1 2 281.783 3.291 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(Cl)cn1 ZINC000799105599 630142908 /nfs/dbraw/zinc/14/29/08/630142908.db2.gz DCGHSWSLRSZVRK-UHFFFAOYSA-N 1 2 279.796 3.380 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(Cl)cn1 ZINC000799105599 630142911 /nfs/dbraw/zinc/14/29/11/630142911.db2.gz DCGHSWSLRSZVRK-UHFFFAOYSA-N 1 2 279.796 3.380 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(Cl)c(Cl)c2)[C@@H]2CCCN12 ZINC000799476400 630186661 /nfs/dbraw/zinc/18/66/61/630186661.db2.gz GIPARXFAFCBWPD-LBPRGKRZSA-N 1 2 298.173 3.156 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2cc(C)ccc2F)cn1C ZINC000800814226 630301413 /nfs/dbraw/zinc/30/14/13/630301413.db2.gz RERPAEDTRUMKTI-UHFFFAOYSA-N 1 2 260.316 3.012 20 30 CGEDLO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806149975 630549426 /nfs/dbraw/zinc/54/94/26/630549426.db2.gz JEMCJRFNDBRYPT-RISCZKNCSA-N 1 2 283.799 3.271 20 30 CGEDLO CC(C)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000811467086 631069108 /nfs/dbraw/zinc/06/91/08/631069108.db2.gz FCPLJHXVKFHEIQ-UHFFFAOYSA-N 1 2 263.410 3.273 20 30 CGEDLO C=CC1CC[NH+](Cn2nc(C(F)(F)F)cc2C)CC1 ZINC000811745341 631117283 /nfs/dbraw/zinc/11/72/83/631117283.db2.gz IZSGGJPTYRVTLJ-UHFFFAOYSA-N 1 2 273.302 3.066 20 30 CGEDLO Fc1cccc(N2CCCC2)c1C=[NH+]OCC1CC1 ZINC000814243934 631557238 /nfs/dbraw/zinc/55/72/38/631557238.db2.gz UQSWFMYPWRKPBO-UHFFFAOYSA-N 1 2 262.328 3.186 20 30 CGEDLO CC(C)c1[nH+]c(C=NOCC2CC2)c2ccccn21 ZINC000814245074 631559025 /nfs/dbraw/zinc/55/90/25/631559025.db2.gz QJTUCHOHXNHUCC-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO N#CCOc1ccc(Cl)cc1COc1cc[nH+]cc1 ZINC000814265698 631565445 /nfs/dbraw/zinc/56/54/45/631565445.db2.gz PRMVDIDEALAPDM-UHFFFAOYSA-N 1 2 274.707 3.216 20 30 CGEDLO C[N@H+](Cc1cccc(Br)c1O)CC(C)(C)C#N ZINC000816632643 632028988 /nfs/dbraw/zinc/02/89/88/632028988.db2.gz SAOZTOGKRJYVQP-UHFFFAOYSA-N 1 2 297.196 3.136 20 30 CGEDLO C[N@@H+](Cc1cccc(Br)c1O)CC(C)(C)C#N ZINC000816632643 632028998 /nfs/dbraw/zinc/02/89/98/632028998.db2.gz SAOZTOGKRJYVQP-UHFFFAOYSA-N 1 2 297.196 3.136 20 30 CGEDLO Nc1ccc2c(c1)C(=[NH+]OCC(F)(F)F)CCCC2 ZINC000817326065 632121108 /nfs/dbraw/zinc/12/11/08/632121108.db2.gz RMEGGEJGVPJOPI-UHFFFAOYSA-N 1 2 272.270 3.278 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000817408906 632140005 /nfs/dbraw/zinc/14/00/05/632140005.db2.gz RUYQVZSAKWMDHH-AWEZNQCLSA-N 1 2 287.794 3.236 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2CC23CCSCC3)c1 ZINC000817708063 632202217 /nfs/dbraw/zinc/20/22/17/632202217.db2.gz RUUWHVKZESTZES-OMJMQIJPSA-N 1 2 291.416 3.353 20 30 CGEDLO C[N@H+](CCc1cccc(C#N)c1)C/C(Cl)=C\Cl ZINC000879432878 635787556 /nfs/dbraw/zinc/78/75/56/635787556.db2.gz KGDIZFOOMMMEEP-MDWZMJQESA-N 1 2 269.175 3.352 20 30 CGEDLO C[N@@H+](CCc1cccc(C#N)c1)C/C(Cl)=C\Cl ZINC000879432878 635787561 /nfs/dbraw/zinc/78/75/61/635787561.db2.gz KGDIZFOOMMMEEP-MDWZMJQESA-N 1 2 269.175 3.352 20 30 CGEDLO C[C@@H]([NH2+]CCc1cccs1)c1cccc(C#N)c1O ZINC000866215859 633032858 /nfs/dbraw/zinc/03/28/58/633032858.db2.gz MBLDNADZJVYGTN-LLVKDONJSA-N 1 2 272.373 3.219 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(C#N)c1O ZINC000866259204 633048058 /nfs/dbraw/zinc/04/80/58/633048058.db2.gz JOKSLKXHSQSATF-SWLSCSKDSA-N 1 2 278.355 3.254 20 30 CGEDLO CSCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269527 633055331 /nfs/dbraw/zinc/05/53/31/633055331.db2.gz IRAODTKRHQGFKZ-NSHDSACASA-N 1 2 264.394 3.058 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C)CC#N)c2)[nH+]c1C ZINC000823353526 633092482 /nfs/dbraw/zinc/09/24/82/633092482.db2.gz QEVZJUNTAWVYSD-JTQLQIEISA-N 1 2 282.347 3.182 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccc(C#N)c1O ZINC000866450955 633140896 /nfs/dbraw/zinc/14/08/96/633140896.db2.gz BGKLOLSFHSLHOP-LEWSCRJBSA-N 1 2 262.328 3.195 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000827650033 633507415 /nfs/dbraw/zinc/50/74/15/633507415.db2.gz MLJCMPVOYYWWPY-QGZVFWFLSA-N 1 2 289.398 3.407 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000827650033 633507416 /nfs/dbraw/zinc/50/74/16/633507416.db2.gz MLJCMPVOYYWWPY-QGZVFWFLSA-N 1 2 289.398 3.407 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C#N)C2)c1O ZINC000827649824 633507738 /nfs/dbraw/zinc/50/77/38/633507738.db2.gz LRUHRCUPDBZGJX-CQSZACIVSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@](C)(C#N)C2)c1O ZINC000827649824 633507740 /nfs/dbraw/zinc/50/77/40/633507740.db2.gz LRUHRCUPDBZGJX-CQSZACIVSA-N 1 2 264.756 3.090 20 30 CGEDLO O=C(C=Cc1c[nH+]c2ccccn12)c1c[nH]c2ncccc12 ZINC000123709570 633801700 /nfs/dbraw/zinc/80/17/00/633801700.db2.gz CSMBJOIIJPYYRU-VOTSOKGWSA-N 1 2 288.310 3.107 20 30 CGEDLO C#CCCCCCNc1ccccc1C[NH+]1CCOCC1 ZINC000871818775 633874709 /nfs/dbraw/zinc/87/47/09/633874709.db2.gz HPDNBFFKJYZSEV-UHFFFAOYSA-N 1 2 286.419 3.124 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](CC)C(F)F)cc1 ZINC000834827026 634249577 /nfs/dbraw/zinc/24/95/77/634249577.db2.gz HHTMITOSIJRTBR-SMDDNHRTSA-N 1 2 267.319 3.393 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000876691224 634882279 /nfs/dbraw/zinc/88/22/79/634882279.db2.gz FGGFMOIGVSVEQT-UHFFFAOYSA-N 1 2 276.355 3.350 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000876691224 634882281 /nfs/dbraw/zinc/88/22/81/634882281.db2.gz FGGFMOIGVSVEQT-UHFFFAOYSA-N 1 2 276.355 3.350 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000876792689 634900273 /nfs/dbraw/zinc/90/02/73/634900273.db2.gz YSRGVCYZJXXACA-NSHDSACASA-N 1 2 287.363 3.336 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000876792689 634900279 /nfs/dbraw/zinc/90/02/79/634900279.db2.gz YSRGVCYZJXXACA-NSHDSACASA-N 1 2 287.363 3.336 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(Cl)n1C ZINC000126241574 634933901 /nfs/dbraw/zinc/93/39/01/634933901.db2.gz YSEJAQFPQBARRE-UHFFFAOYSA-N 1 2 289.810 3.304 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncc(Cl)n1C ZINC000126241574 634933909 /nfs/dbraw/zinc/93/39/09/634933909.db2.gz YSEJAQFPQBARRE-UHFFFAOYSA-N 1 2 289.810 3.304 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2(COC)CCC2)c1 ZINC000840707410 635038197 /nfs/dbraw/zinc/03/81/97/635038197.db2.gz UTTZIKSIQIQQQB-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OCC ZINC000877671666 635141516 /nfs/dbraw/zinc/14/15/16/635141516.db2.gz MMAULKOLBYBHEI-OWYJLGKBSA-N 1 2 298.814 3.123 20 30 CGEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000877906327 635262290 /nfs/dbraw/zinc/26/22/90/635262290.db2.gz OMHCHFIEAJYQTP-GOSISDBHSA-N 1 2 296.370 3.152 20 30 CGEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000877906327 635262295 /nfs/dbraw/zinc/26/22/95/635262295.db2.gz OMHCHFIEAJYQTP-GOSISDBHSA-N 1 2 296.370 3.152 20 30 CGEDLO C[N@H+](CCC#N)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878175361 635394253 /nfs/dbraw/zinc/39/42/53/635394253.db2.gz QAPJZFXLEUUBCK-CVEARBPZSA-N 1 2 258.365 3.142 20 30 CGEDLO C[N@@H+](CCC#N)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878175361 635394260 /nfs/dbraw/zinc/39/42/60/635394260.db2.gz QAPJZFXLEUUBCK-CVEARBPZSA-N 1 2 258.365 3.142 20 30 CGEDLO CC1(C)C[N@H+](CC2(CC#N)CC2)C[C@](C)(C(F)(F)F)O1 ZINC000878652431 635592668 /nfs/dbraw/zinc/59/26/68/635592668.db2.gz QEMCCMZKFXDKOL-GFCCVEGCSA-N 1 2 290.329 3.112 20 30 CGEDLO CC1(C)C[N@@H+](CC2(CC#N)CC2)C[C@](C)(C(F)(F)F)O1 ZINC000878652431 635592675 /nfs/dbraw/zinc/59/26/75/635592675.db2.gz QEMCCMZKFXDKOL-GFCCVEGCSA-N 1 2 290.329 3.112 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)cc(=O)oc2c1 ZINC000879310023 635752611 /nfs/dbraw/zinc/75/26/11/635752611.db2.gz KFLWXSIWMJGOAW-BBRMVZONSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)[C@H]3CCC[C@H]3C#N)cc(=O)oc2c1 ZINC000879310023 635752616 /nfs/dbraw/zinc/75/26/16/635752616.db2.gz KFLWXSIWMJGOAW-BBRMVZONSA-N 1 2 296.370 3.226 20 30 CGEDLO C=C[C@@H](C)ON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000844622031 635944953 /nfs/dbraw/zinc/94/49/53/635944953.db2.gz SKMTUSGZHOIUDZ-GFCCVEGCSA-N 1 2 257.337 3.383 20 30 CGEDLO C=CCC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000845493570 636040104 /nfs/dbraw/zinc/04/01/04/636040104.db2.gz KOOHFHJGWUJXHI-TZMCWYRMSA-N 1 2 262.353 3.122 20 30 CGEDLO CCCCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845882229 636113859 /nfs/dbraw/zinc/11/38/59/636113859.db2.gz RUICNTRNYADOSK-UHFFFAOYSA-N 1 2 291.439 3.239 20 30 CGEDLO C=CC[C@@H]1CC[C@@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000845917869 636118418 /nfs/dbraw/zinc/11/84/18/636118418.db2.gz XPEJHCOEBGMYIG-GDBMZVCRSA-N 1 2 274.408 3.272 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000846915312 636282353 /nfs/dbraw/zinc/28/23/53/636282353.db2.gz SDOSJMCEGLAUHA-UHFFFAOYSA-N 1 2 287.190 3.331 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000847022792 636313785 /nfs/dbraw/zinc/31/37/85/636313785.db2.gz XZNFSMITMFRJHV-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000847022792 636313789 /nfs/dbraw/zinc/31/37/89/636313789.db2.gz XZNFSMITMFRJHV-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#CCCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000847863831 636475794 /nfs/dbraw/zinc/47/57/94/636475794.db2.gz COKGFECZIVDLNV-WBVHZDCISA-N 1 2 287.403 3.415 20 30 CGEDLO C#CCCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000847863831 636475800 /nfs/dbraw/zinc/47/58/00/636475800.db2.gz COKGFECZIVDLNV-WBVHZDCISA-N 1 2 287.403 3.415 20 30 CGEDLO C=CCC[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000130591486 636479807 /nfs/dbraw/zinc/47/98/07/636479807.db2.gz YLGAAMZANHKXNB-CQSZACIVSA-N 1 2 260.381 3.290 20 30 CGEDLO CC(C)(C)CC(N=NCCCn1cc[nH+]c1)C1CC1 ZINC000848417330 636571975 /nfs/dbraw/zinc/57/19/75/636571975.db2.gz VDNFBMKIGHYCNE-UHFFFAOYSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(C)[C@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848418879 636572456 /nfs/dbraw/zinc/57/24/56/636572456.db2.gz QWMRLDJUSCOHPI-CQSZACIVSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(CCc1cccc(C)c1)=NNCCCn1cc[nH+]c1 ZINC000848417561 636572728 /nfs/dbraw/zinc/57/27/28/636572728.db2.gz BKHUXBIDERKJMX-UHFFFAOYSA-N 1 2 284.407 3.180 20 30 CGEDLO Cc1cc2cc(C=NNCCCn3cc[nH+]c3)oc2cc1C ZINC000848418349 636573317 /nfs/dbraw/zinc/57/33/17/636573317.db2.gz MIKHXDAHEFGPDW-UHFFFAOYSA-N 1 2 296.374 3.260 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886251651 637470205 /nfs/dbraw/zinc/47/02/05/637470205.db2.gz ICQRGKRAWBPLCE-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886251651 637470207 /nfs/dbraw/zinc/47/02/07/637470207.db2.gz ICQRGKRAWBPLCE-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO CC[N@H+](C[C@H](C)COCc1ccccc1)[C@@H](C)C#N ZINC000886284388 637483505 /nfs/dbraw/zinc/48/35/05/637483505.db2.gz WBIOUZBZVGTEKM-GJZGRUSLSA-N 1 2 260.381 3.073 20 30 CGEDLO CC[N@@H+](C[C@H](C)COCc1ccccc1)[C@@H](C)C#N ZINC000886284388 637483507 /nfs/dbraw/zinc/48/35/07/637483507.db2.gz WBIOUZBZVGTEKM-GJZGRUSLSA-N 1 2 260.381 3.073 20 30 CGEDLO C#CCOCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000851746297 637490793 /nfs/dbraw/zinc/49/07/93/637490793.db2.gz JXOQARPIZDNZFW-UHFFFAOYSA-N 1 2 284.186 3.001 20 30 CGEDLO C#CCOCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000851746297 637490797 /nfs/dbraw/zinc/49/07/97/637490797.db2.gz JXOQARPIZDNZFW-UHFFFAOYSA-N 1 2 284.186 3.001 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000852098897 637593154 /nfs/dbraw/zinc/59/31/54/637593154.db2.gz YQGCUVHLNCHBOE-OAHLLOKOSA-N 1 2 289.766 3.282 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852326862 637636465 /nfs/dbraw/zinc/63/64/65/637636465.db2.gz PQKHDPZMEYNIDF-LJQANCHMSA-N 1 2 291.398 3.447 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852326862 637636468 /nfs/dbraw/zinc/63/64/68/637636468.db2.gz PQKHDPZMEYNIDF-LJQANCHMSA-N 1 2 291.398 3.447 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2SCCS2)c1O ZINC000852997913 637727581 /nfs/dbraw/zinc/72/75/81/637727581.db2.gz DWPNWTDADZKBDE-XNTDXEJSSA-N 1 2 297.445 3.406 20 30 CGEDLO C#CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000111242926 637820161 /nfs/dbraw/zinc/82/01/61/637820161.db2.gz RDKBLJITYOYLRL-INIZCTEOSA-N 1 2 283.350 3.376 20 30 CGEDLO C#CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000111242926 637820167 /nfs/dbraw/zinc/82/01/67/637820167.db2.gz RDKBLJITYOYLRL-INIZCTEOSA-N 1 2 283.350 3.376 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000853537391 637864012 /nfs/dbraw/zinc/86/40/12/637864012.db2.gz WTGWEWSUIXZXIZ-CYBMUJFWSA-N 1 2 294.468 3.320 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000853537391 637864015 /nfs/dbraw/zinc/86/40/15/637864015.db2.gz WTGWEWSUIXZXIZ-CYBMUJFWSA-N 1 2 294.468 3.320 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCSC1 ZINC000853554578 637866706 /nfs/dbraw/zinc/86/67/06/637866706.db2.gz MTYSWFSCGUOHDP-ZDUSSCGKSA-N 1 2 276.405 3.039 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000853689747 637892464 /nfs/dbraw/zinc/89/24/64/637892464.db2.gz LPVZFYPIVYYVMS-ILXRZTDVSA-N 1 2 288.391 3.099 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043578 638620469 /nfs/dbraw/zinc/62/04/69/638620469.db2.gz LOKIDPPVTIIYEB-AWEZNQCLSA-N 1 2 278.783 3.165 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043578 638620474 /nfs/dbraw/zinc/62/04/74/638620474.db2.gz LOKIDPPVTIIYEB-AWEZNQCLSA-N 1 2 278.783 3.165 20 30 CGEDLO CCOCC(C)(C)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926438963 638771585 /nfs/dbraw/zinc/77/15/85/638771585.db2.gz SCEXITWRTJESLX-OAHLLOKOSA-N 1 2 290.407 3.367 20 30 CGEDLO CCOCC(C)(C)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926438962 638771792 /nfs/dbraw/zinc/77/17/92/638771792.db2.gz SCEXITWRTJESLX-HNNXBMFYSA-N 1 2 290.407 3.367 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(Br)n1 ZINC000926626502 638791887 /nfs/dbraw/zinc/79/18/87/638791887.db2.gz IQTPKWFUORNENT-SNVBAGLBSA-N 1 2 294.196 3.189 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CCC1 ZINC000926627523 638791895 /nfs/dbraw/zinc/79/18/95/638791895.db2.gz PFUDPCJUWSDSBY-ZDUSSCGKSA-N 1 2 275.783 3.396 20 30 CGEDLO Cc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000926710038 638802170 /nfs/dbraw/zinc/80/21/70/638802170.db2.gz HSGQMBJHTZMMDO-NSHDSACASA-N 1 2 261.369 3.416 20 30 CGEDLO C[C@H](NCC1(C#N)CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000926712949 638802465 /nfs/dbraw/zinc/80/24/65/638802465.db2.gz UCJUIJSGSRBEOJ-AWEZNQCLSA-N 1 2 286.423 3.344 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(Br)n1 ZINC000926874976 638820049 /nfs/dbraw/zinc/82/00/49/638820049.db2.gz VLZGFDPRYXWCMT-VIFPVBQESA-N 1 2 282.185 3.044 20 30 CGEDLO C=C[C@H](CC)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000930024230 638969537 /nfs/dbraw/zinc/96/95/37/638969537.db2.gz PHFXTPWDAKSTGA-CYBMUJFWSA-N 1 2 269.348 3.413 20 30 CGEDLO C=C(CC)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931390206 639143965 /nfs/dbraw/zinc/14/39/65/639143965.db2.gz UXEGUCKMAKUGLO-KRWDZBQOSA-N 1 2 285.366 3.463 20 30 CGEDLO C=C(CC)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931390206 639143970 /nfs/dbraw/zinc/14/39/70/639143970.db2.gz UXEGUCKMAKUGLO-KRWDZBQOSA-N 1 2 285.366 3.463 20 30 CGEDLO N#CCC[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932550917 639350531 /nfs/dbraw/zinc/35/05/31/639350531.db2.gz FJEPMMRJQBHWKA-UHFFFAOYSA-N 1 2 298.415 3.298 20 30 CGEDLO C=CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000860900577 639459407 /nfs/dbraw/zinc/45/94/07/639459407.db2.gz DXHWIQGMPDTUAB-UKRRQHHQSA-N 1 2 261.365 3.187 20 30 CGEDLO C=CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000860900577 639459408 /nfs/dbraw/zinc/45/94/08/639459408.db2.gz DXHWIQGMPDTUAB-UKRRQHHQSA-N 1 2 261.365 3.187 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)CCO2)cc1 ZINC000933621668 639470673 /nfs/dbraw/zinc/47/06/73/639470673.db2.gz FSPXGHILRRAUQG-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc1 ZINC000933621668 639470679 /nfs/dbraw/zinc/47/06/79/639470679.db2.gz FSPXGHILRRAUQG-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000305712779 640900065 /nfs/dbraw/zinc/90/00/65/640900065.db2.gz SLOSZBAFNANFOE-CYBMUJFWSA-N 1 2 287.190 3.262 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000305712779 640900070 /nfs/dbraw/zinc/90/00/70/640900070.db2.gz SLOSZBAFNANFOE-CYBMUJFWSA-N 1 2 287.190 3.262 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061536 640939232 /nfs/dbraw/zinc/93/92/32/640939232.db2.gz ZPZSPYPWRFMRQA-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061536 640939239 /nfs/dbraw/zinc/93/92/39/640939239.db2.gz ZPZSPYPWRFMRQA-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007607021 640944078 /nfs/dbraw/zinc/94/40/78/640944078.db2.gz JMGKSSFORRQQOG-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007607021 640944082 /nfs/dbraw/zinc/94/40/82/640944082.db2.gz JMGKSSFORRQQOG-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C#CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000116952034 641031214 /nfs/dbraw/zinc/03/12/14/641031214.db2.gz CJSNWOQYACEXHD-UHFFFAOYSA-N 1 2 254.308 3.224 20 30 CGEDLO Cc1nc(N[C@H]2CC[C@H](C#N)CC2)cc(C(C)C)[nH+]1 ZINC001157049829 805769644 /nfs/dbraw/zinc/76/96/44/805769644.db2.gz HTZIAIHRCFWHPN-JOCQHMNTSA-N 1 2 258.369 3.403 20 30 CGEDLO CSCc1ccc(N[C@H]2CC[C@H](C#N)CC2)[nH+]c1 ZINC001157054940 805770425 /nfs/dbraw/zinc/77/04/25/805770425.db2.gz DBZJPSODVNJZLA-AULYBMBSSA-N 1 2 261.394 3.439 20 30 CGEDLO C[C@@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1cnccn1 ZINC001158594229 805970892 /nfs/dbraw/zinc/97/08/92/805970892.db2.gz PGULTLNNEJBHPZ-LLVKDONJSA-N 1 2 275.315 3.070 20 30 CGEDLO CCCCCCCC[C@H](O)CNc1cc[nH+]nc1 ZINC001252122315 806009474 /nfs/dbraw/zinc/00/94/74/806009474.db2.gz RKTPWWYGBHJNKG-AWEZNQCLSA-N 1 2 251.374 3.000 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001252140751 806026064 /nfs/dbraw/zinc/02/60/64/806026064.db2.gz TWVJWTRZYUMHFN-GJZGRUSLSA-N 1 2 287.444 3.029 20 30 CGEDLO C=CCC[C@@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001252587583 806077386 /nfs/dbraw/zinc/07/73/86/806077386.db2.gz TZMBCJQHTXMBCA-MRXNPFEDSA-N 1 2 260.381 3.026 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC001252833309 806128660 /nfs/dbraw/zinc/12/86/60/806128660.db2.gz MIGZQNUBMHMVGX-GOSISDBHSA-N 1 2 298.361 3.275 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC001252833309 806128664 /nfs/dbraw/zinc/12/86/64/806128664.db2.gz MIGZQNUBMHMVGX-GOSISDBHSA-N 1 2 298.361 3.275 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001253246687 806194104 /nfs/dbraw/zinc/19/41/04/806194104.db2.gz BWQLDFJSBSRMPO-HUUCEWRRSA-N 1 2 299.455 3.051 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001255154460 806554501 /nfs/dbraw/zinc/55/45/01/806554501.db2.gz HVIKDDYMSMMORB-SECBINFHSA-N 1 2 258.699 3.400 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC001255164215 806560865 /nfs/dbraw/zinc/56/08/65/806560865.db2.gz IICDGRYYXGUYNG-INIZCTEOSA-N 1 2 271.408 3.118 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255163472 806561684 /nfs/dbraw/zinc/56/16/84/806561684.db2.gz AIQCQOAARGQTDB-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255163472 806561690 /nfs/dbraw/zinc/56/16/90/806561690.db2.gz AIQCQOAARGQTDB-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC001255165153 806563717 /nfs/dbraw/zinc/56/37/17/806563717.db2.gz UUWAFFBAKJTPDH-LLVKDONJSA-N 1 2 273.311 3.263 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(NCC2(C#N)CCC2)c1 ZINC001162414578 806582719 /nfs/dbraw/zinc/58/27/19/806582719.db2.gz HOPORZMMQXJMHR-UHFFFAOYSA-N 1 2 266.348 3.193 20 30 CGEDLO C#CC1(Nc2nc(N3CCCC3)c(C)c[nH+]2)CCCCC1 ZINC001162480386 806596918 /nfs/dbraw/zinc/59/69/18/806596918.db2.gz QSJRQQWSVCGEPV-UHFFFAOYSA-N 1 2 284.407 3.133 20 30 CGEDLO C=CCOCC[N@H+](C)Cc1cscc1Br ZINC000709967376 800025030 /nfs/dbraw/zinc/02/50/30/800025030.db2.gz FVLHXMQBQYYMML-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C=CCOCC[N@@H+](C)Cc1cscc1Br ZINC000709967376 800025023 /nfs/dbraw/zinc/02/50/23/800025023.db2.gz FVLHXMQBQYYMML-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)cn1 ZINC000710037906 800027704 /nfs/dbraw/zinc/02/77/04/800027704.db2.gz ZTGNPNZPGWMNOK-VIFPVBQESA-N 1 2 282.185 3.044 20 30 CGEDLO COc1ccncc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163680347 806799463 /nfs/dbraw/zinc/79/94/63/806799463.db2.gz OWZVPHMPYORFRI-UHFFFAOYSA-N 1 2 295.264 3.146 20 30 CGEDLO CN(CC(F)(F)F)c1[nH+]ccc2ccc(C#N)cc21 ZINC001163705672 806803256 /nfs/dbraw/zinc/80/32/56/806803256.db2.gz CPQNQQFYHWJARA-UHFFFAOYSA-N 1 2 265.238 3.105 20 30 CGEDLO CC(=O)C=C(C)Nc1c(Br)ccc2[nH+]ccn21 ZINC001163742759 806814944 /nfs/dbraw/zinc/81/49/44/806814944.db2.gz RNERSDFDZVDJOL-FPLPWBNLSA-N 1 2 294.152 3.002 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CCCC1 ZINC000895143314 800580488 /nfs/dbraw/zinc/58/04/88/800580488.db2.gz ZMCCPUGTYWNIHJ-UHFFFAOYSA-N 1 2 278.787 3.114 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2coc3c2cccc3C)C1 ZINC001042935327 801214933 /nfs/dbraw/zinc/21/49/33/801214933.db2.gz SMVXVEIUGWWHSG-UHFFFAOYSA-N 1 2 298.386 3.074 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001044187204 801230995 /nfs/dbraw/zinc/23/09/95/801230995.db2.gz ZEOYXIZIUXIHPN-HNNXBMFYSA-N 1 2 292.467 3.312 20 30 CGEDLO CC1CC(N(C)c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001164195233 806912785 /nfs/dbraw/zinc/91/27/85/806912785.db2.gz LFMHWWDNUJVKLU-UHFFFAOYSA-N 1 2 251.333 3.341 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071322971 801528907 /nfs/dbraw/zinc/52/89/07/801528907.db2.gz ZMBUEAITUQWBIE-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071322971 801528914 /nfs/dbraw/zinc/52/89/14/801528914.db2.gz ZMBUEAITUQWBIE-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071752630 801550004 /nfs/dbraw/zinc/55/00/04/801550004.db2.gz KJANHQBNLMRYFH-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071752630 801550007 /nfs/dbraw/zinc/55/00/07/801550007.db2.gz KJANHQBNLMRYFH-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001085802138 801705765 /nfs/dbraw/zinc/70/57/65/801705765.db2.gz MBPRGTMDHYVLIC-ACRUDFBXSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001085802138 801705768 /nfs/dbraw/zinc/70/57/68/801705768.db2.gz MBPRGTMDHYVLIC-ACRUDFBXSA-N 1 2 296.842 3.018 20 30 CGEDLO C[C@@]1(F)CCN(c2[nH+]ccc3ccc(C#N)cc32)C[C@H]1F ZINC001164334454 806934703 /nfs/dbraw/zinc/93/47/03/806934703.db2.gz SHDNPNVTFVNUCI-GDBMZVCRSA-N 1 2 287.313 3.383 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109147990 802110298 /nfs/dbraw/zinc/11/02/98/802110298.db2.gz IBGGGABQBTYFJI-ILXRZTDVSA-N 1 2 296.842 3.207 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109147990 802110301 /nfs/dbraw/zinc/11/03/01/802110301.db2.gz IBGGGABQBTYFJI-ILXRZTDVSA-N 1 2 296.842 3.207 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C(CC(C)C)CC(C)C)CC1 ZINC001113696560 802231896 /nfs/dbraw/zinc/23/18/96/802231896.db2.gz BTDIFSPXLULZGY-UHFFFAOYSA-N 1 2 280.456 3.025 20 30 CGEDLO C=CC[C@H](C(=O)OCCCc1c[nH+]cn1C)c1ccccc1 ZINC001123066646 802908592 /nfs/dbraw/zinc/90/85/92/802908592.db2.gz WCMBDUXCNRTWOO-KRWDZBQOSA-N 1 2 298.386 3.256 20 30 CGEDLO COc1ccc(-c2ccc3[nH+]c(C)cn3c2)c(C#N)c1 ZINC001243731882 802971992 /nfs/dbraw/zinc/97/19/92/802971992.db2.gz NAAAJASVUKPLFO-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131815983 803348781 /nfs/dbraw/zinc/34/87/81/803348781.db2.gz ANVQRRFIIPXWIP-STQMWFEESA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131815983 803348786 /nfs/dbraw/zinc/34/87/86/803348786.db2.gz ANVQRRFIIPXWIP-STQMWFEESA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132282067 803392485 /nfs/dbraw/zinc/39/24/85/803392485.db2.gz HRWSVVAVCZAALC-UONOGXRCSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132282067 803392492 /nfs/dbraw/zinc/39/24/92/803392492.db2.gz HRWSVVAVCZAALC-UONOGXRCSA-N 1 2 298.858 3.144 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3cccc(C#N)c3C)nn2)c1C ZINC001244817340 803535729 /nfs/dbraw/zinc/53/57/29/803535729.db2.gz VJHMLJIBLAXYFV-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C(#Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1)c1ccccc1 ZINC001138336104 803899569 /nfs/dbraw/zinc/89/95/69/803899569.db2.gz KOXBXGHODCTQGD-BGYRXZFFSA-N 1 2 289.378 3.060 20 30 CGEDLO C(#Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1)c1ccccc1 ZINC001138336104 803899577 /nfs/dbraw/zinc/89/95/77/803899577.db2.gz KOXBXGHODCTQGD-BGYRXZFFSA-N 1 2 289.378 3.060 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138554585 803965977 /nfs/dbraw/zinc/96/59/77/803965977.db2.gz SLYTYKRUISXAJT-UHFFFAOYSA-N 1 2 298.333 3.422 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138554585 803965984 /nfs/dbraw/zinc/96/59/84/803965984.db2.gz SLYTYKRUISXAJT-UHFFFAOYSA-N 1 2 298.333 3.422 20 30 CGEDLO Cc1cc2c(cn1)C[N@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139706207 804260792 /nfs/dbraw/zinc/26/07/92/804260792.db2.gz ONOGYLVJJZSHLC-UHFFFAOYSA-N 1 2 288.354 3.259 20 30 CGEDLO Cc1cc2c(cn1)C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001139706207 804260799 /nfs/dbraw/zinc/26/07/99/804260799.db2.gz ONOGYLVJJZSHLC-UHFFFAOYSA-N 1 2 288.354 3.259 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccccn2)cc1 ZINC001140379106 804425621 /nfs/dbraw/zinc/42/56/21/804425621.db2.gz KNODHVGPPBCEGO-UHFFFAOYSA-N 1 2 265.360 3.484 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)cc1 ZINC001140379106 804425624 /nfs/dbraw/zinc/42/56/24/804425624.db2.gz KNODHVGPPBCEGO-UHFFFAOYSA-N 1 2 265.360 3.484 20 30 CGEDLO Cc1ccc(Cl)nc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001140442298 804435553 /nfs/dbraw/zinc/43/55/53/804435553.db2.gz BYDLXOYUKLVGBN-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1ccc(Cl)nc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001140442298 804435557 /nfs/dbraw/zinc/43/55/57/804435557.db2.gz BYDLXOYUKLVGBN-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1N)CC2 ZINC001140716051 804495056 /nfs/dbraw/zinc/49/50/56/804495056.db2.gz CGFTWSCRLAHHDM-UHFFFAOYSA-N 1 2 297.789 3.352 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1N)CC2 ZINC001140716051 804495060 /nfs/dbraw/zinc/49/50/60/804495060.db2.gz CGFTWSCRLAHHDM-UHFFFAOYSA-N 1 2 297.789 3.352 20 30 CGEDLO N#CCC1C[NH+](Cc2c(Cl)ncc3ccccc32)C1 ZINC001140719668 804496703 /nfs/dbraw/zinc/49/67/03/804496703.db2.gz HUSAKRFDBZRDBQ-UHFFFAOYSA-N 1 2 271.751 3.234 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141652476 804662801 /nfs/dbraw/zinc/66/28/01/804662801.db2.gz MNXVZTOVIVUKTN-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141652476 804662803 /nfs/dbraw/zinc/66/28/03/804662803.db2.gz MNXVZTOVIVUKTN-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCCC23CC3)c1F ZINC001143174747 804816760 /nfs/dbraw/zinc/81/67/60/804816760.db2.gz WWWBWJLLAWJBOP-UHFFFAOYSA-N 1 2 262.303 3.355 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCCC23CC3)c1F ZINC001143174747 804816765 /nfs/dbraw/zinc/81/67/65/804816765.db2.gz WWWBWJLLAWJBOP-UHFFFAOYSA-N 1 2 262.303 3.355 20 30 CGEDLO CC[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1F ZINC001144083700 804935566 /nfs/dbraw/zinc/93/55/66/804935566.db2.gz PJEOJQJOSULCEL-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1F ZINC001144083700 804935568 /nfs/dbraw/zinc/93/55/68/804935568.db2.gz PJEOJQJOSULCEL-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(OC)c1Cl ZINC001248796433 804994856 /nfs/dbraw/zinc/99/48/56/804994856.db2.gz UHIDYFXGQBPASJ-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC001249529150 805169439 /nfs/dbraw/zinc/16/94/39/805169439.db2.gz VYEMKUYYCVHYKM-NSHDSACASA-N 1 2 261.394 3.146 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC001249529150 805169446 /nfs/dbraw/zinc/16/94/46/805169446.db2.gz VYEMKUYYCVHYKM-NSHDSACASA-N 1 2 261.394 3.146 20 30 CGEDLO CCCCCCCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001249625164 805191609 /nfs/dbraw/zinc/19/16/09/805191609.db2.gz HUHFZCXKXFQGMD-UHFFFAOYSA-N 1 2 265.426 3.069 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC001249691538 805213743 /nfs/dbraw/zinc/21/37/43/805213743.db2.gz OMESTQSBXMHOSZ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC001249691538 805213749 /nfs/dbraw/zinc/21/37/49/805213749.db2.gz OMESTQSBXMHOSZ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(Nc2ccccc2OCC#N)c(C)[nH+]1 ZINC001212595284 815081048 /nfs/dbraw/zinc/08/10/48/815081048.db2.gz LXEVNLTVWZYEOS-UHFFFAOYSA-N 1 2 253.305 3.344 20 30 CGEDLO CCOc1cc(Nc2ccc(OCC#N)cc2)cc(C)[nH+]1 ZINC001212606218 815083710 /nfs/dbraw/zinc/08/37/10/815083710.db2.gz SLGGDEFQAWKPHX-UHFFFAOYSA-N 1 2 283.331 3.435 20 30 CGEDLO Cc1ccc(CN(C)c2cc(CC#N)cc[nH+]2)cc1 ZINC001166538897 807052708 /nfs/dbraw/zinc/05/27/08/807052708.db2.gz JDNQGOJSMPKKMM-UHFFFAOYSA-N 1 2 251.333 3.093 20 30 CGEDLO CN(CCCc1ccccc1)c1cc(CC#N)cc[nH+]1 ZINC001166556780 807054256 /nfs/dbraw/zinc/05/42/56/807054256.db2.gz NJYFXCQJFYJFLQ-UHFFFAOYSA-N 1 2 265.360 3.217 20 30 CGEDLO C[C@@H]1CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)[C@@H]1C ZINC001166612617 807067866 /nfs/dbraw/zinc/06/78/66/807067866.db2.gz PHTLSUQQEYMQKI-GHMZBOCLSA-N 1 2 254.337 3.059 20 30 CGEDLO N#CCCCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001168430954 807412754 /nfs/dbraw/zinc/41/27/54/807412754.db2.gz PAVSFGUPROVQPB-UHFFFAOYSA-N 1 2 254.337 3.037 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@](C)(Cc1ccccc1)C(=O)OC ZINC001258720798 807568365 /nfs/dbraw/zinc/56/83/65/807568365.db2.gz GDUQDPLYBYZLQS-YOEHRIQHSA-N 1 2 275.392 3.105 20 30 CGEDLO Nc1cc(NCC#Cc2ccccc2)[nH+]c(C(F)(F)F)c1 ZINC001170426566 807839979 /nfs/dbraw/zinc/83/99/79/807839979.db2.gz XVQDWCYIDDIJCM-UHFFFAOYSA-N 1 2 291.276 3.146 20 30 CGEDLO CCOc1cc(NC2=CC[C@@H](C#N)CC2)cc(C)[nH+]1 ZINC001212857485 815161322 /nfs/dbraw/zinc/16/13/22/815161322.db2.gz KMEXYUPPOPXICR-GFCCVEGCSA-N 1 2 257.337 3.408 20 30 CGEDLO Cc1cc(NCCOc2ccc(C#N)cc2)ccc1[NH+](C)C ZINC001171484664 808074016 /nfs/dbraw/zinc/07/40/16/808074016.db2.gz OLDMCBGVUMUBRX-UHFFFAOYSA-N 1 2 295.386 3.424 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccc(C)cc1)C(=O)OC ZINC001171660880 808115483 /nfs/dbraw/zinc/11/54/83/808115483.db2.gz RMQPUCZXAJYGBA-GOEBONIOSA-N 1 2 275.392 3.023 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C1 ZINC001265307930 808129262 /nfs/dbraw/zinc/12/92/62/808129262.db2.gz ISCSISBRMHBNCG-CQSZACIVSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C1 ZINC001265307930 808129264 /nfs/dbraw/zinc/12/92/64/808129264.db2.gz ISCSISBRMHBNCG-CQSZACIVSA-N 1 2 286.847 3.146 20 30 CGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172308849 808222901 /nfs/dbraw/zinc/22/29/01/808222901.db2.gz AFFPUNLNJYNFKN-CHWSQXEVSA-N 1 2 278.346 3.466 20 30 CGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172308849 808222904 /nfs/dbraw/zinc/22/29/04/808222904.db2.gz AFFPUNLNJYNFKN-CHWSQXEVSA-N 1 2 278.346 3.466 20 30 CGEDLO CC[C@@H](C)OCC[C@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172340868 808241587 /nfs/dbraw/zinc/24/15/87/808241587.db2.gz RNPRCTGQSYMKEO-JKSUJKDBSA-N 1 2 289.423 3.391 20 30 CGEDLO CC[C@@H](C)OCC[C@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172340868 808241592 /nfs/dbraw/zinc/24/15/92/808241592.db2.gz RNPRCTGQSYMKEO-JKSUJKDBSA-N 1 2 289.423 3.391 20 30 CGEDLO CCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OC)CC1 ZINC001172346213 808244669 /nfs/dbraw/zinc/24/46/69/808244669.db2.gz HEEIOVMRDCUFLL-CYBMUJFWSA-N 1 2 255.402 3.421 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001266354525 808248560 /nfs/dbraw/zinc/24/85/60/808248560.db2.gz BVLGYVZNOFQFTL-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001266354525 808248569 /nfs/dbraw/zinc/24/85/69/808248569.db2.gz BVLGYVZNOFQFTL-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C[C@H](CCCC#N)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172506540 808361556 /nfs/dbraw/zinc/36/15/56/808361556.db2.gz VQYJBBFVIXOMLG-HUUCEWRRSA-N 1 2 299.409 3.264 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(F)(F)F)c(F)c2)cc[nH+]1 ZINC001213019351 815202435 /nfs/dbraw/zinc/20/24/35/815202435.db2.gz VZZXYCPGOVYDGE-UHFFFAOYSA-N 1 2 296.223 3.266 20 30 CGEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001172787308 808439748 /nfs/dbraw/zinc/43/97/48/808439748.db2.gz TXMCLICPQSTXGZ-IJEWVQPXSA-N 1 2 280.412 3.026 20 30 CGEDLO N#C[C@@H]1CCCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915174 808477942 /nfs/dbraw/zinc/47/79/42/808477942.db2.gz MBHMMOWULMQBOY-WBVHZDCISA-N 1 2 299.374 3.220 20 30 CGEDLO N#C[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915174 808477944 /nfs/dbraw/zinc/47/79/44/808477944.db2.gz MBHMMOWULMQBOY-WBVHZDCISA-N 1 2 299.374 3.220 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1occc1C(C)C ZINC001268742173 808619773 /nfs/dbraw/zinc/61/97/73/808619773.db2.gz DTRMVLBXKNKHDB-GFCCVEGCSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1occc1C(C)C ZINC001268742173 808619777 /nfs/dbraw/zinc/61/97/77/808619777.db2.gz DTRMVLBXKNKHDB-GFCCVEGCSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)CCC ZINC001268742958 808620628 /nfs/dbraw/zinc/62/06/28/808620628.db2.gz MWTPJHANAHXJGC-LBPRGKRZSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CCC ZINC001268742958 808620632 /nfs/dbraw/zinc/62/06/32/808620632.db2.gz MWTPJHANAHXJGC-LBPRGKRZSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCCC)C1 ZINC001269306550 808667640 /nfs/dbraw/zinc/66/76/40/808667640.db2.gz GBJUFLDRXBYDFA-CQSZACIVSA-N 1 2 286.847 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCCC)C1 ZINC001269306550 808667641 /nfs/dbraw/zinc/66/76/41/808667641.db2.gz GBJUFLDRXBYDFA-CQSZACIVSA-N 1 2 286.847 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1CC ZINC001275629242 808953527 /nfs/dbraw/zinc/95/35/27/808953527.db2.gz LEWRLEPDBXTDDZ-CYBMUJFWSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1CC ZINC001275629242 808953530 /nfs/dbraw/zinc/95/35/30/808953530.db2.gz LEWRLEPDBXTDDZ-CYBMUJFWSA-N 1 2 294.826 3.052 20 30 CGEDLO N#Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)c(N)c1 ZINC001213358041 815269671 /nfs/dbraw/zinc/26/96/71/815269671.db2.gz CWUMMLYCTKZASO-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)cc2C(F)(F)F)cc[nH+]1 ZINC001175101487 809272026 /nfs/dbraw/zinc/27/20/26/809272026.db2.gz MVRLHGDNVCWUAD-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO N#Cc1cc(Nc2[nH+]cccc2N2CCCCC2)ccc1N ZINC001213433765 815280809 /nfs/dbraw/zinc/28/08/09/815280809.db2.gz KWXOAKLIIGHPGU-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO CC(C)c1ccc[nH+]c1Nc1ccc(N)c(C#N)c1 ZINC001213433694 815281078 /nfs/dbraw/zinc/28/10/78/815281078.db2.gz KUSQRLINGZWXHR-UHFFFAOYSA-N 1 2 252.321 3.402 20 30 CGEDLO Cc1ccc(C)c(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175343560 809367875 /nfs/dbraw/zinc/36/78/75/809367875.db2.gz IERBUBGXOFYBAM-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO C#Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351874 809374996 /nfs/dbraw/zinc/37/49/96/809374996.db2.gz WKQPWHWMXZCDTB-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO C[N@@H+]1CCC=C(Nc2c(Cl)cc(Cl)cc2C#N)C1 ZINC001175576547 809457778 /nfs/dbraw/zinc/45/77/78/809457778.db2.gz LYWYAOQOWKBSAS-UHFFFAOYSA-N 1 2 282.174 3.496 20 30 CGEDLO C[N@H+]1CCC=C(Nc2c(Cl)cc(Cl)cc2C#N)C1 ZINC001175576547 809457782 /nfs/dbraw/zinc/45/77/82/809457782.db2.gz LYWYAOQOWKBSAS-UHFFFAOYSA-N 1 2 282.174 3.496 20 30 CGEDLO Cc1cc(C)c(Nc2c(C#N)cnn2-c2ccccc2)c[nH+]1 ZINC001213508692 815293921 /nfs/dbraw/zinc/29/39/21/815293921.db2.gz ZSYDJFVHYZMIAK-UHFFFAOYSA-N 1 2 289.342 3.499 20 30 CGEDLO C=CCn1cc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)nn1 ZINC001178985952 809897673 /nfs/dbraw/zinc/89/76/73/809897673.db2.gz DDTWNDYLHCUABO-UHFFFAOYSA-N 1 2 297.189 3.061 20 30 CGEDLO CCCCCCC[C@@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001181120037 810038744 /nfs/dbraw/zinc/03/87/44/810038744.db2.gz DZSIDXWQLQBQOW-CQSZACIVSA-N 1 2 279.428 3.075 20 30 CGEDLO N#Cc1ccc(F)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184967990 810226182 /nfs/dbraw/zinc/22/61/82/810226182.db2.gz IRDNLLJLGWPCLD-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO COc1ccc(Nc2cc[nH+]c(SC)c2)cc1C#N ZINC001214998707 815474940 /nfs/dbraw/zinc/47/49/40/815474940.db2.gz AHRKEGWZGUOPAI-UHFFFAOYSA-N 1 2 271.345 3.427 20 30 CGEDLO N#Cc1ccc(-c2csc(Nc3ccc(N)[nH+]c3)n2)s1 ZINC001201280056 811806796 /nfs/dbraw/zinc/80/67/96/811806796.db2.gz YIJSNHSLPPHRJW-UHFFFAOYSA-N 1 2 299.384 3.464 20 30 CGEDLO CCCC[C@@H](CC)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201559430 811903130 /nfs/dbraw/zinc/90/31/30/811903130.db2.gz JSDQJGGJMSCYLV-OCCSQVGLSA-N 1 2 267.438 3.477 20 30 CGEDLO CCCC[C@@H](CC)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201559430 811903138 /nfs/dbraw/zinc/90/31/38/811903138.db2.gz JSDQJGGJMSCYLV-OCCSQVGLSA-N 1 2 267.438 3.477 20 30 CGEDLO COc1cccc(C#N)c1Nc1ccc(C)[nH+]c1C ZINC001203375344 812331954 /nfs/dbraw/zinc/33/19/54/812331954.db2.gz VSUBTUZHVUXRHO-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CNc1ccc(Nc2ccc3nc(C#N)sc3c2)c[nH+]1 ZINC001203458265 812366687 /nfs/dbraw/zinc/36/66/87/812366687.db2.gz IGSLTEJYORKINP-UHFFFAOYSA-N 1 2 281.344 3.348 20 30 CGEDLO CCCn1c[nH+]cc1CN(CCC#N)CC(C)(C)C ZINC001204495892 812655962 /nfs/dbraw/zinc/65/59/62/812655962.db2.gz BSXIHQQTKQJYJW-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)c(F)c1 ZINC001204529422 812667886 /nfs/dbraw/zinc/66/78/86/812667886.db2.gz CTBKVXFUYGSHCL-WLLOZRIZSA-N 1 2 280.293 3.370 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)c(F)c1 ZINC001204529422 812667889 /nfs/dbraw/zinc/66/78/89/812667889.db2.gz CTBKVXFUYGSHCL-WLLOZRIZSA-N 1 2 280.293 3.370 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2csc(CO)c2)cc1C#N ZINC001205305643 812944048 /nfs/dbraw/zinc/94/40/48/812944048.db2.gz STVTXDXRRBYHCD-LICLKQGHSA-N 1 2 285.372 3.000 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCc1cccc(F)c1C#N ZINC001205431887 812982624 /nfs/dbraw/zinc/98/26/24/812982624.db2.gz VSZYHBDJPMSQLA-UHFFFAOYSA-N 1 2 285.322 3.492 20 30 CGEDLO O=C1C=C2C[N@@H+](CCC3CCCCC3)CC[C@H]2S1 ZINC001207257270 813522608 /nfs/dbraw/zinc/52/26/08/813522608.db2.gz TUCVNZBDLXWPTC-CQSZACIVSA-N 1 2 265.422 3.231 20 30 CGEDLO O=C1C=C2C[N@H+](CCC3CCCCC3)CC[C@H]2S1 ZINC001207257270 813522610 /nfs/dbraw/zinc/52/26/10/813522610.db2.gz TUCVNZBDLXWPTC-CQSZACIVSA-N 1 2 265.422 3.231 20 30 CGEDLO CC/C=C\CCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208134975 813701584 /nfs/dbraw/zinc/70/15/84/813701584.db2.gz VHXSHRGVJZWBLK-DHCBQETCSA-N 1 2 251.395 3.007 20 30 CGEDLO CC/C=C\CCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001208134975 813701591 /nfs/dbraw/zinc/70/15/91/813701591.db2.gz VHXSHRGVJZWBLK-DHCBQETCSA-N 1 2 251.395 3.007 20 30 CGEDLO C#Cc1cc(Nc2cccc(OCCCC)c2)cc[nH+]1 ZINC001208620831 813776254 /nfs/dbraw/zinc/77/62/54/813776254.db2.gz HSZMIOWCSWJKAJ-UHFFFAOYSA-N 1 2 266.344 3.407 20 30 CGEDLO CSc1cc(Nc2cnc(C#N)c(C)c2)cc[nH+]1 ZINC001210202741 814337698 /nfs/dbraw/zinc/33/76/98/814337698.db2.gz PGZRRAGUXGDTGP-UHFFFAOYSA-N 1 2 256.334 3.122 20 30 CGEDLO N#Cc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC001210529775 814510696 /nfs/dbraw/zinc/51/06/96/814510696.db2.gz RQKZKXPXWAWGJI-UHFFFAOYSA-N 1 2 276.299 3.193 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(C3CC3)c2F)cc[nH+]1 ZINC001215991515 815654116 /nfs/dbraw/zinc/65/41/16/815654116.db2.gz OFRXUSOHEJCKED-UHFFFAOYSA-N 1 2 270.282 3.384 20 30 CGEDLO Cc1cc(C)c(CNC(=O)Nc2cc(C#N)ccc2F)c[nH+]1 ZINC001219051851 816263554 /nfs/dbraw/zinc/26/35/54/816263554.db2.gz SUOMOLGBVLWEDL-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO CC(C)(C)c1ccc(C#N)c(OC2C[NH+](C(C)(C)C)C2)n1 ZINC001226546307 817393163 /nfs/dbraw/zinc/39/31/63/817393163.db2.gz HLGMPRHXEKGHGY-UHFFFAOYSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1c(C#N)cccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001228031981 817789884 /nfs/dbraw/zinc/78/98/84/817789884.db2.gz SXWNMMKKWIOPAI-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO C#Cc1cccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)c1 ZINC001231662947 818153950 /nfs/dbraw/zinc/15/39/50/818153950.db2.gz MDAMGUKONPYVIW-UHFFFAOYSA-N 1 2 281.330 3.070 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(F)ccc1OCc1ccccc1 ZINC001232120927 818259858 /nfs/dbraw/zinc/25/98/58/818259858.db2.gz YAIKOBKGLRLLRJ-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(F)ccc1OCc1ccccc1 ZINC001232120927 818259859 /nfs/dbraw/zinc/25/98/59/818259859.db2.gz YAIKOBKGLRLLRJ-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO CSc1ccc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001232329108 818315918 /nfs/dbraw/zinc/31/59/18/818315918.db2.gz NYEIMZWIJJMMOP-UHFFFAOYSA-N 1 2 275.421 3.462 20 30 CGEDLO CSc1ccc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001232329108 818315926 /nfs/dbraw/zinc/31/59/26/818315926.db2.gz NYEIMZWIJJMMOP-UHFFFAOYSA-N 1 2 275.421 3.462 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001232673189 818415464 /nfs/dbraw/zinc/41/54/64/818415464.db2.gz BXGJPEPLNGXJGW-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001232673189 818415466 /nfs/dbraw/zinc/41/54/66/818415466.db2.gz BXGJPEPLNGXJGW-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC001232679865 818419260 /nfs/dbraw/zinc/41/92/60/818419260.db2.gz UJGHYVOVUUNKRO-UHFFFAOYSA-N 1 2 256.349 3.030 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC001232679865 818419263 /nfs/dbraw/zinc/41/92/63/818419263.db2.gz UJGHYVOVUUNKRO-UHFFFAOYSA-N 1 2 256.349 3.030 20 30 CGEDLO N#CCC1C[NH+](Cc2cc3ccc(Cl)cc3[nH]2)C1 ZINC001232726520 818424579 /nfs/dbraw/zinc/42/45/79/818424579.db2.gz FYKDTFXNUNFHJS-UHFFFAOYSA-N 1 2 259.740 3.167 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001233047147 818507051 /nfs/dbraw/zinc/50/70/51/818507051.db2.gz PTCOEPWZVUEDMU-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001233047147 818507058 /nfs/dbraw/zinc/50/70/58/818507058.db2.gz PTCOEPWZVUEDMU-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(F)c(OC)cc1F ZINC001233343499 818590624 /nfs/dbraw/zinc/59/06/24/818590624.db2.gz OZNVZZQVUMAEBY-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO CC(C)[NH+]1CC(Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732539 818693014 /nfs/dbraw/zinc/69/30/14/818693014.db2.gz QUIAYOVTZWIPOB-UHFFFAOYSA-N 1 2 284.281 3.048 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235041988 818988816 /nfs/dbraw/zinc/98/88/16/818988816.db2.gz GASPPDHDWKVURE-GFCCVEGCSA-N 1 2 269.323 3.166 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235041988 818988820 /nfs/dbraw/zinc/98/88/20/818988820.db2.gz GASPPDHDWKVURE-GFCCVEGCSA-N 1 2 269.323 3.166 20 30 CGEDLO N#CCc1ccccc1C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001235523163 819114006 /nfs/dbraw/zinc/11/40/06/819114006.db2.gz LQDMKZUCHPDRNM-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1ccccc1C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001235523163 819114011 /nfs/dbraw/zinc/11/40/11/819114011.db2.gz LQDMKZUCHPDRNM-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cc1F ZINC001236835215 819615747 /nfs/dbraw/zinc/61/57/47/819615747.db2.gz PMPSFICBUPBVJA-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cc1F ZINC001236835215 819615749 /nfs/dbraw/zinc/61/57/49/819615749.db2.gz PMPSFICBUPBVJA-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236898687 819633205 /nfs/dbraw/zinc/63/32/05/819633205.db2.gz OBMDWRGMWILIEH-NSHDSACASA-N 1 2 258.296 3.307 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236898687 819633207 /nfs/dbraw/zinc/63/32/07/819633207.db2.gz OBMDWRGMWILIEH-NSHDSACASA-N 1 2 258.296 3.307 20 30 CGEDLO COc1nc(Cl)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237253164 819711010 /nfs/dbraw/zinc/71/10/10/819711010.db2.gz PFWWCAPNKQNKOL-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1nc(Cl)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237253164 819711014 /nfs/dbraw/zinc/71/10/14/819711014.db2.gz PFWWCAPNKQNKOL-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237806051 819848454 /nfs/dbraw/zinc/84/84/54/819848454.db2.gz QMTZJOOLDNPSBA-UHFFFAOYSA-N 1 2 267.731 3.030 20 30 CGEDLO N#Cc1cc2nc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc2[nH]1 ZINC001243656475 823476718 /nfs/dbraw/zinc/47/67/18/823476718.db2.gz JOILVWCUQTWUFF-UHFFFAOYSA-N 1 2 299.337 3.346 20 30 CGEDLO N#Cc1c(F)cncc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243659293 823477628 /nfs/dbraw/zinc/47/76/28/823477628.db2.gz QLSHANTURAIJER-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO COc1cccc(-c2ccc3[nH+]ccn3c2C)c1C#N ZINC001242299682 822944170 /nfs/dbraw/zinc/94/41/70/822944170.db2.gz VAAUGSHEWPGYPJ-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1cc(-c2cc(F)c(C[NH+](C)C)c(F)c2)cnc1C#N ZINC001242357227 822964756 /nfs/dbraw/zinc/96/47/56/822964756.db2.gz LPCBRAUDLVODFY-UHFFFAOYSA-N 1 2 287.313 3.269 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC001340011650 936394722 /nfs/dbraw/zinc/39/47/22/936394722.db2.gz AKUXFHAFKDVLHW-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC001340011650 936394726 /nfs/dbraw/zinc/39/47/26/936394726.db2.gz AKUXFHAFKDVLHW-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001480322765 937046035 /nfs/dbraw/zinc/04/60/35/937046035.db2.gz IRCSHYJYFJYPSC-GOEBONIOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001480322765 937046038 /nfs/dbraw/zinc/04/60/38/937046038.db2.gz IRCSHYJYFJYPSC-GOEBONIOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001481394333 926975778 /nfs/dbraw/zinc/97/57/78/926975778.db2.gz IXYYMLACEZIQKR-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001481394333 926975783 /nfs/dbraw/zinc/97/57/83/926975783.db2.gz IXYYMLACEZIQKR-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO CCCCCCC[NH+]1CC(NC(=O)c2cccs2)C1 ZINC001481542519 927021997 /nfs/dbraw/zinc/02/19/97/927021997.db2.gz ZREVQHLYZWLSEZ-UHFFFAOYSA-N 1 2 280.437 3.133 20 30 CGEDLO N#C[C@H]1CC=C(Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC001212861430 928650396 /nfs/dbraw/zinc/65/03/96/928650396.db2.gz SREWBUMMEJILKF-ZDUSSCGKSA-N 1 2 264.332 3.492 20 30 CGEDLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)cc(C)c1C#N ZINC001456369656 937429837 /nfs/dbraw/zinc/42/98/37/937429837.db2.gz GOEVLFQNLIHHLZ-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO C=CCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457710965 937444877 /nfs/dbraw/zinc/44/48/77/937444877.db2.gz OCRORFCWMQDJEN-CYBMUJFWSA-N 1 2 269.348 3.016 20 30 CGEDLO N#Cc1ncc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001203056138 931961126 /nfs/dbraw/zinc/96/11/26/931961126.db2.gz YNADCNMEKTWXLG-UHFFFAOYSA-N 1 2 279.278 3.022 20 30 CGEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(Cl)c1 ZINC001461781858 937597387 /nfs/dbraw/zinc/59/73/87/937597387.db2.gz FODIMVZTYJUXDE-UHFFFAOYSA-N 1 2 277.780 3.266 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](C)c1cccc(Cl)c1 ZINC001461842878 937601182 /nfs/dbraw/zinc/60/11/82/937601182.db2.gz MAGWKKXMINKNCR-CYBMUJFWSA-N 1 2 295.810 3.495 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](C)c1cccc(Cl)c1 ZINC001461842878 937601183 /nfs/dbraw/zinc/60/11/83/937601183.db2.gz MAGWKKXMINKNCR-CYBMUJFWSA-N 1 2 295.810 3.495 20 30 CGEDLO N#CCC[N@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC001231885093 932680872 /nfs/dbraw/zinc/68/08/72/932680872.db2.gz FVRRHUPDZYAICR-UHFFFAOYSA-N 1 2 286.375 3.116 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC001231885093 932680881 /nfs/dbraw/zinc/68/08/81/932680881.db2.gz FVRRHUPDZYAICR-UHFFFAOYSA-N 1 2 286.375 3.116 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OCC ZINC001462190452 937623888 /nfs/dbraw/zinc/62/38/88/937623888.db2.gz RABFIUMAUHSGIE-SOLBZPMBSA-N 1 2 287.403 3.278 20 30 CGEDLO C=C1CCC(C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001303608505 932829474 /nfs/dbraw/zinc/82/94/74/932829474.db2.gz IRFWMQVEJBLGQH-HNNXBMFYSA-N 1 2 287.407 3.436 20 30 CGEDLO C=C(C)CCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306771863 932886364 /nfs/dbraw/zinc/88/63/64/932886364.db2.gz GETUEZHVCPBRLM-CQSZACIVSA-N 1 2 283.375 3.406 20 30 CGEDLO C=CC[C@H](C)[NH2+][C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC001307986298 933030447 /nfs/dbraw/zinc/03/04/47/933030447.db2.gz CWIKZXFZRWRSIR-WFASDCNBSA-N 1 2 295.810 3.368 20 30 CGEDLO C=C(CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001312822206 933396349 /nfs/dbraw/zinc/39/63/49/933396349.db2.gz YVSIQWLCNPTLJQ-UHFFFAOYSA-N 1 2 295.386 3.211 20 30 CGEDLO C=C(C)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001464830569 937696271 /nfs/dbraw/zinc/69/62/71/937696271.db2.gz PLGRUEDXXVGZMN-UHFFFAOYSA-N 1 2 269.348 3.476 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001317486054 933602425 /nfs/dbraw/zinc/60/24/25/933602425.db2.gz IUNILIOUBFYVGU-DOMZBBRYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001317486054 933602431 /nfs/dbraw/zinc/60/24/31/933602431.db2.gz IUNILIOUBFYVGU-DOMZBBRYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001317934221 933667238 /nfs/dbraw/zinc/66/72/38/933667238.db2.gz UHBWLJIHAFRACH-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001317934221 933667243 /nfs/dbraw/zinc/66/72/43/933667243.db2.gz UHBWLJIHAFRACH-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OCC ZINC001321967428 934227547 /nfs/dbraw/zinc/22/75/47/934227547.db2.gz OFJNEUTZMPHTHX-ZBFHGGJFSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)CCCC2CCCCC2)C1 ZINC001324018700 934450592 /nfs/dbraw/zinc/45/05/92/934450592.db2.gz VHXZDYSTMURGNK-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1F)C(=O)OCC ZINC001326379476 934975865 /nfs/dbraw/zinc/97/58/65/934975865.db2.gz AQXNNAHCTSXEGJ-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C[C@@H](COC)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC001328814990 935170793 /nfs/dbraw/zinc/17/07/93/935170793.db2.gz IHJQMASLRAWISS-GXFFZTMASA-N 1 2 269.772 3.287 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2csc(C#N)c2)[C@@H](CC)CO1 ZINC001333778385 936065718 /nfs/dbraw/zinc/06/57/18/936065718.db2.gz BOLZOIDDJGVADP-QWHCGFSZSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)[C@@H](CC)CO1 ZINC001333778385 936065723 /nfs/dbraw/zinc/06/57/23/936065723.db2.gz BOLZOIDDJGVADP-QWHCGFSZSA-N 1 2 264.394 3.009 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC001336796363 936217831 /nfs/dbraw/zinc/21/78/31/936217831.db2.gz DQJBOFAIODFZMF-CVEARBPZSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC001336796363 936217836 /nfs/dbraw/zinc/21/78/36/936217836.db2.gz DQJBOFAIODFZMF-CVEARBPZSA-N 1 2 256.349 3.013 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001480333762 937936739 /nfs/dbraw/zinc/93/67/39/937936739.db2.gz YUGWZTLGDTWONI-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001480333762 937936741 /nfs/dbraw/zinc/93/67/41/937936741.db2.gz YUGWZTLGDTWONI-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)CC(=C)Cl)cc1 ZINC001506006575 937988705 /nfs/dbraw/zinc/98/87/05/937988705.db2.gz ZSRPVDGIJFACHJ-ZDUSSCGKSA-N 1 2 292.810 3.132 20 30 CGEDLO C=Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)CC(=C)Cl)cc1 ZINC001506006575 937988706 /nfs/dbraw/zinc/98/87/06/937988706.db2.gz ZSRPVDGIJFACHJ-ZDUSSCGKSA-N 1 2 292.810 3.132 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](CC)CCC)CC1 ZINC001508225767 937998849 /nfs/dbraw/zinc/99/88/49/937998849.db2.gz TWBZJLORQREQCG-OAHLLOKOSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)CCC)CC1 ZINC001508225767 937998850 /nfs/dbraw/zinc/99/88/50/937998850.db2.gz TWBZJLORQREQCG-OAHLLOKOSA-N 1 2 298.858 3.314 20 30 CGEDLO COCc1cc[nH+]c(NC23CCC(C#N)(CC2)CC3)c1 ZINC001158785641 958832777 /nfs/dbraw/zinc/83/27/77/958832777.db2.gz HTIHOPZJPULFGO-UHFFFAOYSA-N 1 2 271.364 3.256 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C2)CCCC1 ZINC001567884815 961451498 /nfs/dbraw/zinc/45/14/98/961451498.db2.gz MHNXIDFNMUHKDN-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C2)CCCC1 ZINC001567884815 961451504 /nfs/dbraw/zinc/45/15/04/961451504.db2.gz MHNXIDFNMUHKDN-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccoc1CCC ZINC001569146273 961710304 /nfs/dbraw/zinc/71/03/04/961710304.db2.gz BFPWNIDQTWHRAU-GFCCVEGCSA-N 1 2 298.814 3.035 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1CCC ZINC001569146273 961710316 /nfs/dbraw/zinc/71/03/16/961710316.db2.gz BFPWNIDQTWHRAU-GFCCVEGCSA-N 1 2 298.814 3.035 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccnc2ccccc12 ZINC000590051029 346824058 /nfs/dbraw/zinc/82/40/58/346824058.db2.gz VCVDBCSFZUALSQ-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccnc2ccccc12 ZINC000590051029 346824062 /nfs/dbraw/zinc/82/40/62/346824062.db2.gz VCVDBCSFZUALSQ-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO CCc1ccc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000347784859 529637102 /nfs/dbraw/zinc/63/71/02/529637102.db2.gz MEAOLEHQFSQGSE-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO CCc1ccc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000347784859 529637104 /nfs/dbraw/zinc/63/71/04/529637104.db2.gz MEAOLEHQFSQGSE-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO Cc1cc(N[C@H]2CCc3c2cccc3C)c(C#N)c[nH+]1 ZINC000591819534 346939164 /nfs/dbraw/zinc/93/91/64/346939164.db2.gz NRAUZDFGXGGSSN-INIZCTEOSA-N 1 2 263.344 3.091 20 30 CGEDLO CCc1cnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000591853644 346943112 /nfs/dbraw/zinc/94/31/12/346943112.db2.gz FWXBRBSNNQPRMQ-LBPRGKRZSA-N 1 2 269.348 3.302 20 30 CGEDLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000591853644 346943117 /nfs/dbraw/zinc/94/31/17/346943117.db2.gz FWXBRBSNNQPRMQ-LBPRGKRZSA-N 1 2 269.348 3.302 20 30 CGEDLO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000128522590 136387253 /nfs/dbraw/zinc/38/72/53/136387253.db2.gz ZYALPKMKYXPFQM-UHFFFAOYSA-N 1 2 295.386 3.090 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000592059847 346958531 /nfs/dbraw/zinc/95/85/31/346958531.db2.gz ZBXFHFYNNZGYQD-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000592059847 346958536 /nfs/dbraw/zinc/95/85/36/346958536.db2.gz ZBXFHFYNNZGYQD-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccncc1C#N ZINC000592069934 346959198 /nfs/dbraw/zinc/95/91/98/346959198.db2.gz ATZIJYNRIZKEGI-CYBMUJFWSA-N 1 2 263.344 3.073 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592069934 346959200 /nfs/dbraw/zinc/95/92/00/346959200.db2.gz ATZIJYNRIZKEGI-CYBMUJFWSA-N 1 2 263.344 3.073 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccncc2C#N)sc1C ZINC000592081737 346961750 /nfs/dbraw/zinc/96/17/50/346961750.db2.gz CGNSSPRZYMEPQU-UHFFFAOYSA-N 1 2 286.404 3.052 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000592124507 346964714 /nfs/dbraw/zinc/96/47/14/346964714.db2.gz FVCQLXWYZQVKHW-NSHDSACASA-N 1 2 283.297 3.118 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000592124507 346964717 /nfs/dbraw/zinc/96/47/17/346964717.db2.gz FVCQLXWYZQVKHW-NSHDSACASA-N 1 2 283.297 3.118 20 30 CGEDLO C=CCOc1ccc(C[NH2+]CC(F)(F)CC)cc1OC ZINC000623680524 349865369 /nfs/dbraw/zinc/86/53/69/349865369.db2.gz NPFXTQIINSRAFD-UHFFFAOYSA-N 1 2 285.334 3.395 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC2(CCCC2)O1 ZINC000592187151 346970042 /nfs/dbraw/zinc/97/00/42/346970042.db2.gz HONZFZOJSKICCP-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC2(CCCC2)O1 ZINC000592187151 346970045 /nfs/dbraw/zinc/97/00/45/346970045.db2.gz HONZFZOJSKICCP-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000592522496 346995818 /nfs/dbraw/zinc/99/58/18/346995818.db2.gz DISOXIZHTSBZGM-UKRRQHHQSA-N 1 2 281.363 3.070 20 30 CGEDLO CC(C)(C)OCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126694 347043075 /nfs/dbraw/zinc/04/30/75/347043075.db2.gz MFRWANDCLNWKEV-UHFFFAOYSA-N 1 2 272.392 3.469 20 30 CGEDLO CC(C)(C)OCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126694 347043077 /nfs/dbraw/zinc/04/30/77/347043077.db2.gz MFRWANDCLNWKEV-UHFFFAOYSA-N 1 2 272.392 3.469 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000593393382 347070246 /nfs/dbraw/zinc/07/02/46/347070246.db2.gz CFEVOOGKHSIJIR-LBPRGKRZSA-N 1 2 296.374 3.251 20 30 CGEDLO N#Cc1ccc(NCCCCn2cc[nH+]c2)cc1Cl ZINC000061846516 345236248 /nfs/dbraw/zinc/23/62/48/345236248.db2.gz MRVIATMEIUJJFJ-UHFFFAOYSA-N 1 2 274.755 3.300 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000068608775 345356732 /nfs/dbraw/zinc/35/67/32/345356732.db2.gz CBQUUQYMLKXFRA-LLVKDONJSA-N 1 2 257.362 3.202 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccc(SC)cc1 ZINC000081515173 345711495 /nfs/dbraw/zinc/71/14/95/345711495.db2.gz ZSPQUORTLPQOCU-UHFFFAOYSA-N 1 2 264.394 3.023 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccc(SC)cc1 ZINC000081515173 345711499 /nfs/dbraw/zinc/71/14/99/345711499.db2.gz ZSPQUORTLPQOCU-UHFFFAOYSA-N 1 2 264.394 3.023 20 30 CGEDLO CCOc1ccc(C[N@H+](CCC#N)CCC(C)C)nc1 ZINC000088535229 345762041 /nfs/dbraw/zinc/76/20/41/345762041.db2.gz LVSPCNPJTODKDP-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCOc1ccc(C[N@@H+](CCC#N)CCC(C)C)nc1 ZINC000088535229 345762046 /nfs/dbraw/zinc/76/20/46/345762046.db2.gz LVSPCNPJTODKDP-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO N#Cc1cccc(C(=O)CSc2[nH+]cc3ccccn32)c1 ZINC000160667603 232246621 /nfs/dbraw/zinc/24/66/21/232246621.db2.gz WBROJDDVJAYAHA-UHFFFAOYSA-N 1 2 293.351 3.181 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000093100001 345869333 /nfs/dbraw/zinc/86/93/33/345869333.db2.gz JFCYNKKKRYACCB-UHFFFAOYSA-N 1 2 287.190 3.355 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000093100001 345869335 /nfs/dbraw/zinc/86/93/35/345869335.db2.gz JFCYNKKKRYACCB-UHFFFAOYSA-N 1 2 287.190 3.355 20 30 CGEDLO COc1nc2ccccc2cc1C[N@H+](CCC#N)CC1CC1 ZINC000093091347 345869351 /nfs/dbraw/zinc/86/93/51/345869351.db2.gz PLLFQWAVDQIBQA-UHFFFAOYSA-N 1 2 295.386 3.369 20 30 CGEDLO COc1nc2ccccc2cc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091347 345869353 /nfs/dbraw/zinc/86/93/53/345869353.db2.gz PLLFQWAVDQIBQA-UHFFFAOYSA-N 1 2 295.386 3.369 20 30 CGEDLO Cc1ccc(C(=O)N(C)CCC#N)cc1Oc1cc[nH+]cc1 ZINC000115344191 345971352 /nfs/dbraw/zinc/97/13/52/345971352.db2.gz BQZOEVGLRKLVBF-UHFFFAOYSA-N 1 2 295.342 3.168 20 30 CGEDLO COc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)co2)cc1 ZINC000142024681 346110133 /nfs/dbraw/zinc/11/01/33/346110133.db2.gz OBQYHFHYZFGKOO-UHFFFAOYSA-N 1 2 297.358 3.086 20 30 CGEDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000153553619 346145221 /nfs/dbraw/zinc/14/52/21/346145221.db2.gz YYSYHHAYURSCPS-ZDUSSCGKSA-N 1 2 297.358 3.000 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000153553619 346145223 /nfs/dbraw/zinc/14/52/23/346145223.db2.gz YYSYHHAYURSCPS-ZDUSSCGKSA-N 1 2 297.358 3.000 20 30 CGEDLO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)s3)[nH]c21 ZINC000153617695 346145909 /nfs/dbraw/zinc/14/59/09/346145909.db2.gz XNORHDKKCIIQKU-UHFFFAOYSA-N 1 2 282.372 3.094 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)o1 ZINC000128370306 187366423 /nfs/dbraw/zinc/36/64/23/187366423.db2.gz IGOBGXIFHJURAO-MRXNPFEDSA-N 1 2 284.384 3.441 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)o1 ZINC000128370306 187366424 /nfs/dbraw/zinc/36/64/24/187366424.db2.gz IGOBGXIFHJURAO-MRXNPFEDSA-N 1 2 284.384 3.441 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CO1 ZINC000403840209 346598290 /nfs/dbraw/zinc/59/82/90/346598290.db2.gz CSILJSZEBIWPKP-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CO1 ZINC000403840209 346598292 /nfs/dbraw/zinc/59/82/92/346598292.db2.gz CSILJSZEBIWPKP-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CN(CCCn1cc[nH+]c1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000585717688 346727254 /nfs/dbraw/zinc/72/72/54/346727254.db2.gz KQADUNDCKNQATK-HNNXBMFYSA-N 1 2 288.782 3.123 20 30 CGEDLO C=CC[NH+]1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000589256988 346791520 /nfs/dbraw/zinc/79/15/20/346791520.db2.gz DFEDLATYGKNECO-ZDUSSCGKSA-N 1 2 287.432 3.161 20 30 CGEDLO C=CCN1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000589256988 346791522 /nfs/dbraw/zinc/79/15/22/346791522.db2.gz DFEDLATYGKNECO-ZDUSSCGKSA-N 1 2 287.432 3.161 20 30 CGEDLO CC(C)(C#N)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000593945482 347121884 /nfs/dbraw/zinc/12/18/84/347121884.db2.gz ODEICRREOWAUBD-UHFFFAOYSA-N 1 2 251.333 3.495 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594021297 347138078 /nfs/dbraw/zinc/13/80/78/347138078.db2.gz SJRZIUVXZCNXTH-CYBMUJFWSA-N 1 2 293.370 3.387 20 30 CGEDLO CCOc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028090 347139128 /nfs/dbraw/zinc/13/91/28/347139128.db2.gz CVLVUZMCEPGJPN-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO CCOc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028090 347139131 /nfs/dbraw/zinc/13/91/31/347139131.db2.gz CVLVUZMCEPGJPN-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO C=CCOc1ccc(C[NH2+]Cc2cocn2)cc1Cl ZINC000594061350 347146973 /nfs/dbraw/zinc/14/69/73/347146973.db2.gz NXFPBQKZZDWOSW-UHFFFAOYSA-N 1 2 278.739 3.183 20 30 CGEDLO COc1c(C)[nH+]cnc1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000594585270 347196610 /nfs/dbraw/zinc/19/66/10/347196610.db2.gz CZXNLURPSCGRDA-OAHLLOKOSA-N 1 2 294.358 3.155 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC000594595774 347198720 /nfs/dbraw/zinc/19/87/20/347198720.db2.gz KFDNXQFGWNAAOR-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO N#CC1(C[NH2+]Cc2nccn2-c2ccccc2)CCCCC1 ZINC000594981735 347248382 /nfs/dbraw/zinc/24/83/82/347248382.db2.gz TUKFCLIZVNMRTL-UHFFFAOYSA-N 1 2 294.402 3.436 20 30 CGEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612617 347327882 /nfs/dbraw/zinc/32/78/82/347327882.db2.gz YNZSLQLIMRHVOZ-HNNXBMFYSA-N 1 2 299.418 3.122 20 30 CGEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612617 347327884 /nfs/dbraw/zinc/32/78/84/347327884.db2.gz YNZSLQLIMRHVOZ-HNNXBMFYSA-N 1 2 299.418 3.122 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(C3CCC3)CC2)n1 ZINC000595659473 347334057 /nfs/dbraw/zinc/33/40/57/347334057.db2.gz NEOZRJMSDUQNIG-UHFFFAOYSA-N 1 2 261.394 3.027 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595828115 347361758 /nfs/dbraw/zinc/36/17/58/347361758.db2.gz JGMFFWVAVMMDFC-UHFFFAOYSA-N 1 2 285.322 3.065 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000595840158 347365350 /nfs/dbraw/zinc/36/53/50/347365350.db2.gz ODMBOPVEOOWYGQ-AWEZNQCLSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000595840158 347365352 /nfs/dbraw/zinc/36/53/52/347365352.db2.gz ODMBOPVEOOWYGQ-AWEZNQCLSA-N 1 2 266.291 3.024 20 30 CGEDLO C=CCC[NH2+][C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000595883669 347370001 /nfs/dbraw/zinc/37/00/01/347370001.db2.gz IQOJACZMBBCYCC-QGZVFWFLSA-N 1 2 275.392 3.409 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)ccc1C#N ZINC000595886013 347370012 /nfs/dbraw/zinc/37/00/12/347370012.db2.gz LKSVSRGUTMJXNU-AWEZNQCLSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)ccc1C#N ZINC000595886013 347370016 /nfs/dbraw/zinc/37/00/16/347370016.db2.gz LKSVSRGUTMJXNU-AWEZNQCLSA-N 1 2 298.308 3.020 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000596597150 347485666 /nfs/dbraw/zinc/48/56/66/347485666.db2.gz JVEPWPNSQCVKHT-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000596597150 347485674 /nfs/dbraw/zinc/48/56/74/347485674.db2.gz JVEPWPNSQCVKHT-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@](C)(C#N)C1 ZINC000596531424 347475430 /nfs/dbraw/zinc/47/54/30/347475430.db2.gz LQZHOCUDPUTCNF-INIZCTEOSA-N 1 2 285.322 3.122 20 30 CGEDLO C[C@H](CC#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000597029369 347529542 /nfs/dbraw/zinc/52/95/42/347529542.db2.gz CQXFSXSIPWJBBV-SNVBAGLBSA-N 1 2 282.347 3.319 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000597079716 347533966 /nfs/dbraw/zinc/53/39/66/347533966.db2.gz GIUIZKIMZBMNIW-HNNXBMFYSA-N 1 2 271.389 3.422 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000597079716 347533968 /nfs/dbraw/zinc/53/39/68/347533968.db2.gz GIUIZKIMZBMNIW-HNNXBMFYSA-N 1 2 271.389 3.422 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC(F)F ZINC000597229245 347557386 /nfs/dbraw/zinc/55/73/86/347557386.db2.gz KBSIVSQLGXAYTQ-HNNXBMFYSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC(F)F ZINC000597229245 347557388 /nfs/dbraw/zinc/55/73/88/347557388.db2.gz KBSIVSQLGXAYTQ-HNNXBMFYSA-N 1 2 296.317 3.032 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000597230652 347558929 /nfs/dbraw/zinc/55/89/29/347558929.db2.gz SMMSWCXHWGGISY-QGZVFWFLSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000597230652 347558934 /nfs/dbraw/zinc/55/89/34/347558934.db2.gz SMMSWCXHWGGISY-QGZVFWFLSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000597231757 347559809 /nfs/dbraw/zinc/55/98/09/347559809.db2.gz ORKPMILBRUJZDK-AWEZNQCLSA-N 1 2 273.361 3.139 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000597231757 347559812 /nfs/dbraw/zinc/55/98/12/347559812.db2.gz ORKPMILBRUJZDK-AWEZNQCLSA-N 1 2 273.361 3.139 20 30 CGEDLO C[C@@]1(C#N)CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599065764 347713443 /nfs/dbraw/zinc/71/34/43/347713443.db2.gz MZCLGJHWSRFUTP-KRWDZBQOSA-N 1 2 291.358 3.013 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000600118566 347781935 /nfs/dbraw/zinc/78/19/35/347781935.db2.gz YYNPOWQZNCSFOY-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000600118566 347781937 /nfs/dbraw/zinc/78/19/37/347781937.db2.gz YYNPOWQZNCSFOY-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO C/C=C/C[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000599199732 347726110 /nfs/dbraw/zinc/72/61/10/347726110.db2.gz KRGPWGLQMLDBGK-XGACYXMMSA-N 1 2 255.365 3.444 20 30 CGEDLO C[C@H]1C[N@H+](CCSc2ccc(Cl)cc2C#N)CCO1 ZINC000601913148 347922991 /nfs/dbraw/zinc/92/29/91/347922991.db2.gz PTSGYJFEJRFQOE-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2C#N)CCO1 ZINC000601913148 347922993 /nfs/dbraw/zinc/92/29/93/347922993.db2.gz PTSGYJFEJRFQOE-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](C)CCC#N)no1 ZINC000602450411 347960396 /nfs/dbraw/zinc/96/03/96/347960396.db2.gz VJNRZFWCHZXWGX-STQMWFEESA-N 1 2 276.384 3.099 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@H+]2C[C@@H](C)CCC#N)no1 ZINC000602450411 347960398 /nfs/dbraw/zinc/96/03/98/347960398.db2.gz VJNRZFWCHZXWGX-STQMWFEESA-N 1 2 276.384 3.099 20 30 CGEDLO Cn1cc[nH+]c1[C@H](C1CC1)N(CCC#N)CC(C)(C)C ZINC000602466695 347962939 /nfs/dbraw/zinc/96/29/39/347962939.db2.gz ZWVGQSINSPSNGY-AWEZNQCLSA-N 1 2 274.412 3.133 20 30 CGEDLO Cn1ccnc1[C@H](C1CC1)[N@H+](CCC#N)CC(C)(C)C ZINC000602466695 347962942 /nfs/dbraw/zinc/96/29/42/347962942.db2.gz ZWVGQSINSPSNGY-AWEZNQCLSA-N 1 2 274.412 3.133 20 30 CGEDLO Cn1ccnc1[C@H](C1CC1)[N@@H+](CCC#N)CC(C)(C)C ZINC000602466695 347962944 /nfs/dbraw/zinc/96/29/44/347962944.db2.gz ZWVGQSINSPSNGY-AWEZNQCLSA-N 1 2 274.412 3.133 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000602611629 347993775 /nfs/dbraw/zinc/99/37/75/347993775.db2.gz YHDZCDKQWRRRMW-AWEZNQCLSA-N 1 2 265.307 3.145 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000602611629 347993777 /nfs/dbraw/zinc/99/37/77/347993777.db2.gz YHDZCDKQWRRRMW-AWEZNQCLSA-N 1 2 265.307 3.145 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)CC2(CC#N)CC2)cs1 ZINC000602784494 348028110 /nfs/dbraw/zinc/02/81/10/348028110.db2.gz RLNDURPOFOYJAI-GFCCVEGCSA-N 1 2 293.436 3.366 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)CC2(CC#N)CC2)cs1 ZINC000602784494 348028113 /nfs/dbraw/zinc/02/81/13/348028113.db2.gz RLNDURPOFOYJAI-GFCCVEGCSA-N 1 2 293.436 3.366 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602783522 348028431 /nfs/dbraw/zinc/02/84/31/348028431.db2.gz PUAZPUMZOGVWBV-INIZCTEOSA-N 1 2 270.376 3.062 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602783522 348028433 /nfs/dbraw/zinc/02/84/33/348028433.db2.gz PUAZPUMZOGVWBV-INIZCTEOSA-N 1 2 270.376 3.062 20 30 CGEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)c(Cl)cc1O ZINC000602676610 348006823 /nfs/dbraw/zinc/00/68/23/348006823.db2.gz UGOZDJNWAVNWGP-UHFFFAOYSA-N 1 2 282.771 3.036 20 30 CGEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)c(Cl)cc1O ZINC000602676610 348006825 /nfs/dbraw/zinc/00/68/25/348006825.db2.gz UGOZDJNWAVNWGP-UHFFFAOYSA-N 1 2 282.771 3.036 20 30 CGEDLO COc1cc(Cl)c(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000602699059 348012053 /nfs/dbraw/zinc/01/20/53/348012053.db2.gz PYMCHSLQVJJUFR-UHFFFAOYSA-N 1 2 294.782 3.141 20 30 CGEDLO N#CCC1(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000602767880 348025434 /nfs/dbraw/zinc/02/54/34/348025434.db2.gz KNDJRYCFIJSYRF-OAHLLOKOSA-N 1 2 290.794 3.407 20 30 CGEDLO N#CCC1(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000602767880 348025438 /nfs/dbraw/zinc/02/54/38/348025438.db2.gz KNDJRYCFIJSYRF-OAHLLOKOSA-N 1 2 290.794 3.407 20 30 CGEDLO CCc1ccc([C@H]2C[N@H+](CC3(CC#N)CC3)CCO2)cc1 ZINC000602826035 348033696 /nfs/dbraw/zinc/03/36/96/348033696.db2.gz IPVSLYATAVCSBE-QGZVFWFLSA-N 1 2 284.403 3.316 20 30 CGEDLO CCc1ccc([C@H]2C[N@@H+](CC3(CC#N)CC3)CCO2)cc1 ZINC000602826035 348033698 /nfs/dbraw/zinc/03/36/98/348033698.db2.gz IPVSLYATAVCSBE-QGZVFWFLSA-N 1 2 284.403 3.316 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000602981564 348050995 /nfs/dbraw/zinc/05/09/95/348050995.db2.gz GEJLJSZBLYSMOZ-OLZOCXBDSA-N 1 2 261.369 3.060 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000602981564 348050997 /nfs/dbraw/zinc/05/09/97/348050997.db2.gz GEJLJSZBLYSMOZ-OLZOCXBDSA-N 1 2 261.369 3.060 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000609486601 348345348 /nfs/dbraw/zinc/34/53/48/348345348.db2.gz NNYWHAUIWIOKAJ-RHSMWYFYSA-N 1 2 289.398 3.052 20 30 CGEDLO CCCc1ccc(C[N@@H+](CCC#N)CCOC)cc1 ZINC000610392152 348380351 /nfs/dbraw/zinc/38/03/51/348380351.db2.gz NGDDEXPENYQECT-UHFFFAOYSA-N 1 2 260.381 3.001 20 30 CGEDLO CCCc1ccc(C[N@H+](CCC#N)CCOC)cc1 ZINC000610392152 348380355 /nfs/dbraw/zinc/38/03/55/348380355.db2.gz NGDDEXPENYQECT-UHFFFAOYSA-N 1 2 260.381 3.001 20 30 CGEDLO COc1ccc(-c2nc(C[NH2+][C@@H](C)CC#N)cs2)cc1 ZINC000610395657 348380514 /nfs/dbraw/zinc/38/05/14/348380514.db2.gz INGFKNOELQVGDM-NSHDSACASA-N 1 2 287.388 3.210 20 30 CGEDLO CCc1cccc(OCC[N@H+](CC#N)C2CCCC2)c1 ZINC000610003295 348360439 /nfs/dbraw/zinc/36/04/39/348360439.db2.gz IRUPDQLSMOAREJ-UHFFFAOYSA-N 1 2 272.392 3.396 20 30 CGEDLO CCc1cccc(OCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000610003295 348360441 /nfs/dbraw/zinc/36/04/41/348360441.db2.gz IRUPDQLSMOAREJ-UHFFFAOYSA-N 1 2 272.392 3.396 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993081 348415001 /nfs/dbraw/zinc/41/50/01/348415001.db2.gz BZGMOCPHWSEDTP-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993081 348415005 /nfs/dbraw/zinc/41/50/05/348415005.db2.gz BZGMOCPHWSEDTP-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO CC[N@H+](CCC(F)(F)F)Cc1cc(F)ccc1C#N ZINC000610728637 348399504 /nfs/dbraw/zinc/39/95/04/348399504.db2.gz BVAVVOJBJNSCOV-UHFFFAOYSA-N 1 2 274.261 3.472 20 30 CGEDLO CC[N@@H+](CCC(F)(F)F)Cc1cc(F)ccc1C#N ZINC000610728637 348399505 /nfs/dbraw/zinc/39/95/05/348399505.db2.gz BVAVVOJBJNSCOV-UHFFFAOYSA-N 1 2 274.261 3.472 20 30 CGEDLO Cc1noc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000611245281 348430564 /nfs/dbraw/zinc/43/05/64/348430564.db2.gz QGRBDCDKRRJOMY-GFCCVEGCSA-N 1 2 294.358 3.100 20 30 CGEDLO Cc1noc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000611245281 348430566 /nfs/dbraw/zinc/43/05/66/348430566.db2.gz QGRBDCDKRRJOMY-GFCCVEGCSA-N 1 2 294.358 3.100 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1cccc(C#N)c1 ZINC000611388900 348443898 /nfs/dbraw/zinc/44/38/98/348443898.db2.gz RMNZQKSEZCWJJS-GFCCVEGCSA-N 1 2 296.374 3.450 20 30 CGEDLO COc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)[nH+]c1 ZINC000611475650 348455408 /nfs/dbraw/zinc/45/54/08/348455408.db2.gz RDZVKSOIABFCDJ-SNVBAGLBSA-N 1 2 271.295 3.274 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000612167495 348499206 /nfs/dbraw/zinc/49/92/06/348499206.db2.gz ZTJARIVXBUZESE-INIZCTEOSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000612167495 348499209 /nfs/dbraw/zinc/49/92/09/348499209.db2.gz ZTJARIVXBUZESE-INIZCTEOSA-N 1 2 272.779 3.317 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000612204297 348501590 /nfs/dbraw/zinc/50/15/90/348501590.db2.gz XUULVEIXZRTROV-LBPRGKRZSA-N 1 2 292.310 3.121 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000612913007 348554403 /nfs/dbraw/zinc/55/44/03/348554403.db2.gz AJYZWGUVQTXPQO-UHFFFAOYSA-N 1 2 273.420 3.446 20 30 CGEDLO CCSc1cccc(C[N@@H+](CCC#N)CCOC)c1 ZINC000613735097 348629606 /nfs/dbraw/zinc/62/96/06/348629606.db2.gz FMFDVZOCNDKRKF-UHFFFAOYSA-N 1 2 278.421 3.161 20 30 CGEDLO CCSc1cccc(C[N@H+](CCC#N)CCOC)c1 ZINC000613735097 348629609 /nfs/dbraw/zinc/62/96/09/348629609.db2.gz FMFDVZOCNDKRKF-UHFFFAOYSA-N 1 2 278.421 3.161 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000614400795 348673989 /nfs/dbraw/zinc/67/39/89/348673989.db2.gz GGJCTNVGWHUXJX-INIZCTEOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000614400795 348673992 /nfs/dbraw/zinc/67/39/92/348673992.db2.gz GGJCTNVGWHUXJX-INIZCTEOSA-N 1 2 282.343 3.033 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000614962626 348703552 /nfs/dbraw/zinc/70/35/52/348703552.db2.gz MPPPBQXFVQSHGT-UHIISALHSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000614962626 348703554 /nfs/dbraw/zinc/70/35/54/348703554.db2.gz MPPPBQXFVQSHGT-UHIISALHSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@](F)(C#N)C2)C1 ZINC000615649815 348754680 /nfs/dbraw/zinc/75/46/80/348754680.db2.gz CRNSYVVOCLVNFE-ULQDDVLXSA-N 1 2 272.367 3.434 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@](F)(C#N)C2)C1 ZINC000615649815 348754682 /nfs/dbraw/zinc/75/46/82/348754682.db2.gz CRNSYVVOCLVNFE-ULQDDVLXSA-N 1 2 272.367 3.434 20 30 CGEDLO Cc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(C2CC2)[nH+]1 ZINC000618693969 349145134 /nfs/dbraw/zinc/14/51/34/349145134.db2.gz VNKRMFKIQLOOSE-INIZCTEOSA-N 1 2 290.370 3.055 20 30 CGEDLO C=C[C@H]([NH2+]CC1(c2cccc(C)c2)CCCC1)C(=O)OC ZINC000619701337 349276690 /nfs/dbraw/zinc/27/66/90/349276690.db2.gz GEWUJAUZDFZXIW-INIZCTEOSA-N 1 2 287.403 3.124 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000625529725 350181011 /nfs/dbraw/zinc/18/10/11/350181011.db2.gz RSXCDBBHRYYSSU-GFCCVEGCSA-N 1 2 299.349 3.115 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000625529725 350181013 /nfs/dbraw/zinc/18/10/13/350181013.db2.gz RSXCDBBHRYYSSU-GFCCVEGCSA-N 1 2 299.349 3.115 20 30 CGEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccccc1F ZINC000628152949 350413601 /nfs/dbraw/zinc/41/36/01/350413601.db2.gz UHMMQBVQMRHQGC-UHFFFAOYSA-N 1 2 273.355 3.354 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)c2ccn3cc(C)[nH+]c3c2)C1 ZINC000636171255 351727988 /nfs/dbraw/zinc/72/79/88/351727988.db2.gz GTUONYXPVXSUCB-CQSZACIVSA-N 1 2 283.375 3.071 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000121340516 186966668 /nfs/dbraw/zinc/96/66/68/186966668.db2.gz MDPJCRLDHUEONM-UHFFFAOYSA-N 1 2 282.278 3.088 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000123297638 187083387 /nfs/dbraw/zinc/08/33/87/187083387.db2.gz VJKRILBEWIRBHH-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000292374450 198263988 /nfs/dbraw/zinc/26/39/88/198263988.db2.gz REOCSKLWSDPXQX-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000292374450 198263990 /nfs/dbraw/zinc/26/39/90/198263990.db2.gz REOCSKLWSDPXQX-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1cc(Br)ccc1C[N@H+](C)CCC#N ZINC000157819012 188340362 /nfs/dbraw/zinc/34/03/62/188340362.db2.gz KTJNUWVBFBSMSQ-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1cc(Br)ccc1C[N@@H+](C)CCC#N ZINC000157819012 188340363 /nfs/dbraw/zinc/34/03/63/188340363.db2.gz KTJNUWVBFBSMSQ-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336366936 213218216 /nfs/dbraw/zinc/21/82/16/213218216.db2.gz ODLYNWGZPIUXFK-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336366936 213218219 /nfs/dbraw/zinc/21/82/19/213218219.db2.gz ODLYNWGZPIUXFK-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO C[C@@H]1COCC[N@@H+]1CCSc1cccc(Cl)c1C#N ZINC000413004851 235240941 /nfs/dbraw/zinc/24/09/41/235240941.db2.gz YBEYIVIJKJJPSB-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1COCC[N@H+]1CCSc1cccc(Cl)c1C#N ZINC000413004851 235240944 /nfs/dbraw/zinc/24/09/44/235240944.db2.gz YBEYIVIJKJJPSB-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)o1 ZINC000367125343 283142565 /nfs/dbraw/zinc/14/25/65/283142565.db2.gz DXMJKMATKLKNQP-MRXNPFEDSA-N 1 2 288.297 3.361 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)o1 ZINC000367125343 283142568 /nfs/dbraw/zinc/14/25/68/283142568.db2.gz DXMJKMATKLKNQP-MRXNPFEDSA-N 1 2 288.297 3.361 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361021273 283214592 /nfs/dbraw/zinc/21/45/92/283214592.db2.gz FLBXRCAESKBHMS-UHFFFAOYSA-N 1 2 290.366 3.311 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361021273 283214595 /nfs/dbraw/zinc/21/45/95/283214595.db2.gz FLBXRCAESKBHMS-UHFFFAOYSA-N 1 2 290.366 3.311 20 30 CGEDLO Cc1cc(N2CCC(c3ccc(O)cc3)CC2)c(C#N)c[nH+]1 ZINC000425203730 236220708 /nfs/dbraw/zinc/22/07/08/236220708.db2.gz FSTGYTGZZSDSIS-UHFFFAOYSA-N 1 2 293.370 3.351 20 30 CGEDLO CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425248028 236223255 /nfs/dbraw/zinc/22/32/55/236223255.db2.gz QBPFSCXGWVKMGB-YVEFUNNKSA-N 1 2 299.349 3.011 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000176989751 189019518 /nfs/dbraw/zinc/01/95/18/189019518.db2.gz OSHXAXMGFAHLCZ-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000176989751 189019519 /nfs/dbraw/zinc/01/95/19/189019519.db2.gz OSHXAXMGFAHLCZ-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1nc(Sc2[nH+]cc3ccccn32)ccc1Cl ZINC000301547549 201063740 /nfs/dbraw/zinc/06/37/40/201063740.db2.gz UKPJIWZRRMKPFL-UHFFFAOYSA-N 1 2 286.747 3.406 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000184359104 189383911 /nfs/dbraw/zinc/38/39/11/189383911.db2.gz DQVXQYGMNQTXCC-CQSZACIVSA-N 1 2 299.418 3.453 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)C1CC1 ZINC000275513496 193064480 /nfs/dbraw/zinc/06/44/80/193064480.db2.gz XQSRCFWCASSHII-UHFFFAOYSA-N 1 2 273.311 3.026 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)C1CC1 ZINC000275513496 193064482 /nfs/dbraw/zinc/06/44/82/193064482.db2.gz XQSRCFWCASSHII-UHFFFAOYSA-N 1 2 273.311 3.026 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000537660403 376191903 /nfs/dbraw/zinc/19/19/03/376191903.db2.gz DWBDFAVMASZCDS-LLVKDONJSA-N 1 2 286.404 3.262 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000537660403 376191915 /nfs/dbraw/zinc/19/19/15/376191915.db2.gz DWBDFAVMASZCDS-LLVKDONJSA-N 1 2 286.404 3.262 20 30 CGEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000121550172 370873031 /nfs/dbraw/zinc/87/30/31/370873031.db2.gz LKBQFZWUEOTGQI-NSHDSACASA-N 1 2 275.327 3.363 20 30 CGEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000121550172 370873037 /nfs/dbraw/zinc/87/30/37/370873037.db2.gz LKBQFZWUEOTGQI-NSHDSACASA-N 1 2 275.327 3.363 20 30 CGEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc(C#N)ccc1F ZINC000026349296 368858588 /nfs/dbraw/zinc/85/85/88/368858588.db2.gz MWDLTUIXOVZOTI-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc(C#N)ccc1F ZINC000026349296 368858590 /nfs/dbraw/zinc/85/85/90/368858590.db2.gz MWDLTUIXOVZOTI-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO CC(C)(C#N)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000574353285 335013113 /nfs/dbraw/zinc/01/31/13/335013113.db2.gz GJAWQZGZFKMYEA-UHFFFAOYSA-N 1 2 272.392 3.339 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(Br)c1 ZINC000042440499 369221335 /nfs/dbraw/zinc/22/13/35/369221335.db2.gz UBPCMNZOASCJFH-SNVBAGLBSA-N 1 2 267.170 3.041 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440499 369221341 /nfs/dbraw/zinc/22/13/41/369221341.db2.gz UBPCMNZOASCJFH-SNVBAGLBSA-N 1 2 267.170 3.041 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)cc1OC(F)F ZINC000127603881 370954516 /nfs/dbraw/zinc/95/45/16/370954516.db2.gz YFMCZGILHGICPA-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)cc1OC(F)F ZINC000127603881 370954519 /nfs/dbraw/zinc/95/45/19/370954519.db2.gz YFMCZGILHGICPA-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000073605704 369861498 /nfs/dbraw/zinc/86/14/98/369861498.db2.gz WOJGXWCFSOHQQU-AWEZNQCLSA-N 1 2 292.398 3.071 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000073605704 369861503 /nfs/dbraw/zinc/86/15/03/369861503.db2.gz WOJGXWCFSOHQQU-AWEZNQCLSA-N 1 2 292.398 3.071 20 30 CGEDLO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000078316014 369951280 /nfs/dbraw/zinc/95/12/80/369951280.db2.gz MSBZFHRAPKLGQW-CYBMUJFWSA-N 1 2 261.756 3.215 20 30 CGEDLO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000078316014 369951286 /nfs/dbraw/zinc/95/12/86/369951286.db2.gz MSBZFHRAPKLGQW-CYBMUJFWSA-N 1 2 261.756 3.215 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccccn2)s1)C[C@H](C)C#N ZINC000091984263 370085316 /nfs/dbraw/zinc/08/53/16/370085316.db2.gz OAMVQZMNTVTNMT-GFCCVEGCSA-N 1 2 286.404 3.187 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccccn2)s1)C[C@H](C)C#N ZINC000091984263 370085320 /nfs/dbraw/zinc/08/53/20/370085320.db2.gz OAMVQZMNTVTNMT-GFCCVEGCSA-N 1 2 286.404 3.187 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)C[C@@H](C)C#N ZINC000091983059 370085962 /nfs/dbraw/zinc/08/59/62/370085962.db2.gz CYCYNOIWUGXPES-NSHDSACASA-N 1 2 296.798 3.339 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C[C@@H](C)C#N ZINC000091983059 370085965 /nfs/dbraw/zinc/08/59/65/370085965.db2.gz CYCYNOIWUGXPES-NSHDSACASA-N 1 2 296.798 3.339 20 30 CGEDLO C[N@H+](CCC#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000089908927 370050367 /nfs/dbraw/zinc/05/03/67/370050367.db2.gz DKHFIQISCFEHFW-UHFFFAOYSA-N 1 2 289.379 3.379 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000089908927 370050373 /nfs/dbraw/zinc/05/03/73/370050373.db2.gz DKHFIQISCFEHFW-UHFFFAOYSA-N 1 2 289.379 3.379 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000093454324 370133972 /nfs/dbraw/zinc/13/39/72/370133972.db2.gz LJVDDUBNJRKFMG-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000093454324 370133975 /nfs/dbraw/zinc/13/39/75/370133975.db2.gz LJVDDUBNJRKFMG-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(F)ccc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000103135921 370319330 /nfs/dbraw/zinc/31/93/30/370319330.db2.gz HCTHMEZZPGARPN-UHFFFAOYSA-N 1 2 287.244 3.374 20 30 CGEDLO COc1ccc(CC[N@H+](CC#N)CC(C)(C)C)cc1 ZINC000115550150 370533494 /nfs/dbraw/zinc/53/34/94/370533494.db2.gz UBMRSXROPUEHLY-UHFFFAOYSA-N 1 2 260.381 3.109 20 30 CGEDLO COc1ccc(CC[N@@H+](CC#N)CC(C)(C)C)cc1 ZINC000115550150 370533500 /nfs/dbraw/zinc/53/35/00/370533500.db2.gz UBMRSXROPUEHLY-UHFFFAOYSA-N 1 2 260.381 3.109 20 30 CGEDLO C=CCn1c(C)nnc1SCc1c(C)[nH+]c2ccccn21 ZINC000133495824 371256453 /nfs/dbraw/zinc/25/64/53/371256453.db2.gz TULDYEDXQOGLRG-UHFFFAOYSA-N 1 2 299.403 3.021 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(CC)cc2)no1)C1CC1 ZINC000537853327 376205052 /nfs/dbraw/zinc/20/50/52/376205052.db2.gz YTKPIJUTWFGYTF-UHFFFAOYSA-N 1 2 283.375 3.449 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(CC)cc2)no1)C1CC1 ZINC000537853327 376205058 /nfs/dbraw/zinc/20/50/58/376205058.db2.gz YTKPIJUTWFGYTF-UHFFFAOYSA-N 1 2 283.375 3.449 20 30 CGEDLO CCCCCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152639731 371712036 /nfs/dbraw/zinc/71/20/36/371712036.db2.gz ODAJVELIMHFIPE-OAHLLOKOSA-N 1 2 289.423 3.137 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000155406196 371927344 /nfs/dbraw/zinc/92/73/44/371927344.db2.gz ZDQCMGSWVXOQCH-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000155406196 371927351 /nfs/dbraw/zinc/92/73/51/371927351.db2.gz ZDQCMGSWVXOQCH-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CC[N@@H+](Cc1csc([C@H](C)OC)n1)C1CCCC1 ZINC000155779710 371945995 /nfs/dbraw/zinc/94/59/95/371945995.db2.gz JEZIIVGJCPSFSN-LBPRGKRZSA-N 1 2 278.421 3.228 20 30 CGEDLO C#CC[N@H+](Cc1csc([C@H](C)OC)n1)C1CCCC1 ZINC000155779710 371946004 /nfs/dbraw/zinc/94/60/04/371946004.db2.gz JEZIIVGJCPSFSN-LBPRGKRZSA-N 1 2 278.421 3.228 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000158132813 372055505 /nfs/dbraw/zinc/05/55/05/372055505.db2.gz JYLMLBAMUDDDIO-GFCCVEGCSA-N 1 2 262.422 3.442 20 30 CGEDLO C[C@H]1SCC[N@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000160502437 372253459 /nfs/dbraw/zinc/25/34/59/372253459.db2.gz LEKQEVCFTZCURV-WDEREUQCSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H]1SCC[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000160502437 372253468 /nfs/dbraw/zinc/25/34/68/372253468.db2.gz LEKQEVCFTZCURV-WDEREUQCSA-N 1 2 264.369 3.023 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1F ZINC000160731701 372271453 /nfs/dbraw/zinc/27/14/53/372271453.db2.gz KQJDZBUPFBMUDW-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1F ZINC000160731701 372271462 /nfs/dbraw/zinc/27/14/62/372271462.db2.gz KQJDZBUPFBMUDW-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000293274721 372343331 /nfs/dbraw/zinc/34/33/31/372343331.db2.gz VEAXTJKBFYCRFK-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000293274721 372343339 /nfs/dbraw/zinc/34/33/39/372343339.db2.gz VEAXTJKBFYCRFK-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000293739900 372466695 /nfs/dbraw/zinc/46/66/95/372466695.db2.gz PCDMRSOFOOBEKX-LBPRGKRZSA-N 1 2 276.409 3.148 20 30 CGEDLO CC(C)OC(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433308144 372588578 /nfs/dbraw/zinc/58/85/78/372588578.db2.gz XCDPMVXTLKJCGU-UHFFFAOYSA-N 1 2 288.391 3.233 20 30 CGEDLO CC(C)OC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433308144 372588585 /nfs/dbraw/zinc/58/85/85/372588585.db2.gz XCDPMVXTLKJCGU-UHFFFAOYSA-N 1 2 288.391 3.233 20 30 CGEDLO COc1ccsc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000434982688 372720106 /nfs/dbraw/zinc/72/01/06/372720106.db2.gz QOQNHKQDKLUJMW-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO COc1ccsc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000434982688 372720114 /nfs/dbraw/zinc/72/01/14/372720114.db2.gz QOQNHKQDKLUJMW-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)cc2F)sc1C ZINC000344556368 217230661 /nfs/dbraw/zinc/23/06/61/217230661.db2.gz ZYMWIFKPXOEBTI-UHFFFAOYSA-N 1 2 275.352 3.061 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3ccc(C#N)o3)CCCC2)n1 ZINC000174385471 373304659 /nfs/dbraw/zinc/30/46/59/373304659.db2.gz CKDDBEKAKCWXJF-UHFFFAOYSA-N 1 2 287.388 3.475 20 30 CGEDLO CC(C)(C)[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000447825049 373501348 /nfs/dbraw/zinc/50/13/48/373501348.db2.gz BIYDOIOMOOXOOQ-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000447825049 373501352 /nfs/dbraw/zinc/50/13/52/373501352.db2.gz BIYDOIOMOOXOOQ-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO N#Cc1cc(F)c(NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000301079357 373652908 /nfs/dbraw/zinc/65/29/08/373652908.db2.gz FAWJMADJISCIIF-UHFFFAOYSA-N 1 2 298.296 3.139 20 30 CGEDLO N#Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000301111468 373666282 /nfs/dbraw/zinc/66/62/82/373666282.db2.gz RUSYXPXRMDKAAT-UHFFFAOYSA-N 1 2 278.359 3.034 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3nccnc3C#N)cc2)CC1 ZINC000301205204 373691214 /nfs/dbraw/zinc/69/12/14/373691214.db2.gz YPWGLFFFQSWRDJ-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000180029540 373954229 /nfs/dbraw/zinc/95/42/29/373954229.db2.gz ZWDWMRAJOJVNBE-ZETCQYMHSA-N 1 2 293.219 3.008 20 30 CGEDLO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)ccc1F ZINC000179775118 373915717 /nfs/dbraw/zinc/91/57/17/373915717.db2.gz ISIRPRWNMNJARU-NHYWBVRUSA-N 1 2 277.318 3.449 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302705874 373935828 /nfs/dbraw/zinc/93/58/28/373935828.db2.gz YLEVTONHZKZDOU-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO CC(C)(C)[C@H]([NH2+]CCCC#N)C(=O)OCc1ccccc1 ZINC000180542404 374021078 /nfs/dbraw/zinc/02/10/78/374021078.db2.gz FSIBFXYZTOOWEC-OAHLLOKOSA-N 1 2 288.391 3.038 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)c(OC)c1)C[C@@H](C)C#N ZINC000450325755 374058886 /nfs/dbraw/zinc/05/88/86/374058886.db2.gz FQCOFJRJXXUSBV-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)c(OC)c1)C[C@@H](C)C#N ZINC000450325755 374058891 /nfs/dbraw/zinc/05/88/91/374058891.db2.gz FQCOFJRJXXUSBV-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C[C@H](C)C#N ZINC000450328095 374060833 /nfs/dbraw/zinc/06/08/33/374060833.db2.gz NOVFXLXLEARURV-LLVKDONJSA-N 1 2 294.782 3.108 20 30 CGEDLO CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C[C@H](C)C#N ZINC000450328095 374060835 /nfs/dbraw/zinc/06/08/35/374060835.db2.gz NOVFXLXLEARURV-LLVKDONJSA-N 1 2 294.782 3.108 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1ccco1 ZINC000450463678 374147025 /nfs/dbraw/zinc/14/70/25/374147025.db2.gz RCPRWVIWIHDDTP-GOSISDBHSA-N 1 2 298.386 3.253 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1ccco1 ZINC000450463678 374147033 /nfs/dbraw/zinc/14/70/33/374147033.db2.gz RCPRWVIWIHDDTP-GOSISDBHSA-N 1 2 298.386 3.253 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000182676013 374310599 /nfs/dbraw/zinc/31/05/99/374310599.db2.gz NODUUZMEFVDVBB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000182676013 374310608 /nfs/dbraw/zinc/31/06/08/374310608.db2.gz NODUUZMEFVDVBB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328923454 374395259 /nfs/dbraw/zinc/39/52/59/374395259.db2.gz CZAILPMOHQBFNM-GRYCIOLGSA-N 1 2 261.369 3.050 20 30 CGEDLO C[C@@H]1CC[C@H](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328923454 374395269 /nfs/dbraw/zinc/39/52/69/374395269.db2.gz CZAILPMOHQBFNM-GRYCIOLGSA-N 1 2 261.369 3.050 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@@H](C)C3CCOCC3)ccc2[nH+]1 ZINC000328789005 374382212 /nfs/dbraw/zinc/38/22/12/374382212.db2.gz PPJBXQPPVSGCNU-LBPRGKRZSA-N 1 2 287.363 3.293 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c(C)[nH+]1 ZINC000329359172 374407069 /nfs/dbraw/zinc/40/70/69/374407069.db2.gz GKCUKCRSVWAXIR-BXKDBHETSA-N 1 2 260.337 3.292 20 30 CGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@H]3C[C@@H]3C3CC3)cc2[nH+]1 ZINC000329852142 374435801 /nfs/dbraw/zinc/43/58/01/374435801.db2.gz ULGSBOZCCPRDFR-VXGBXAGGSA-N 1 2 284.363 3.263 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@]23CCOC3)c1 ZINC000329617628 374414695 /nfs/dbraw/zinc/41/46/95/374414695.db2.gz QGDGQQTVQLGFRM-PBHICJAKSA-N 1 2 297.358 3.102 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@@]23CCOC3)[nH+]1 ZINC000329754847 374426231 /nfs/dbraw/zinc/42/62/31/374426231.db2.gz XOSWZZVUSWOCCR-CXAGYDPISA-N 1 2 297.358 3.400 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183820226 374461233 /nfs/dbraw/zinc/46/12/33/374461233.db2.gz CCYMXXAOXKUCSZ-NSHDSACASA-N 1 2 285.303 3.104 20 30 CGEDLO CCC[C@H](NC(=O)NCc1[nH+]ccn1C)C1CCCCC1 ZINC000330556851 374479306 /nfs/dbraw/zinc/47/93/06/374479306.db2.gz FWBVEDGUPLWJOS-AWEZNQCLSA-N 1 2 292.427 3.173 20 30 CGEDLO C=CC[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000186746480 374909838 /nfs/dbraw/zinc/90/98/38/374909838.db2.gz DNSRBTKGDAVOKS-QGZVFWFLSA-N 1 2 297.402 3.092 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@H](C2CC2)O1 ZINC000470920997 375000700 /nfs/dbraw/zinc/00/07/00/375000700.db2.gz AOKYCUNMNZSHFB-GUYCJALGSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H](C2CC2)O1 ZINC000470920997 375000707 /nfs/dbraw/zinc/00/07/07/375000707.db2.gz AOKYCUNMNZSHFB-GUYCJALGSA-N 1 2 289.806 3.191 20 30 CGEDLO C=C(C)C[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000483988390 375185466 /nfs/dbraw/zinc/18/54/66/375185466.db2.gz RFEGXVUMYMJWRS-UHFFFAOYSA-N 1 2 266.182 3.383 20 30 CGEDLO C=C(C)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000483988390 375185467 /nfs/dbraw/zinc/18/54/67/375185467.db2.gz RFEGXVUMYMJWRS-UHFFFAOYSA-N 1 2 266.182 3.383 20 30 CGEDLO CC(C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000335446901 375301681 /nfs/dbraw/zinc/30/16/81/375301681.db2.gz QTXHTMMWJYHLHM-UHFFFAOYSA-N 1 2 288.738 3.014 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000189026643 375313113 /nfs/dbraw/zinc/31/31/13/375313113.db2.gz LHQRQWLFJLPPNF-UHFFFAOYSA-N 1 2 286.375 3.047 20 30 CGEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000189026643 375313119 /nfs/dbraw/zinc/31/31/19/375313119.db2.gz LHQRQWLFJLPPNF-UHFFFAOYSA-N 1 2 286.375 3.047 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738228 375389936 /nfs/dbraw/zinc/38/99/36/375389936.db2.gz OEATYASARKZIGA-UKRRQHHQSA-N 1 2 265.360 3.149 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738228 375389938 /nfs/dbraw/zinc/38/99/38/375389938.db2.gz OEATYASARKZIGA-UKRRQHHQSA-N 1 2 265.360 3.149 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000335575354 375332489 /nfs/dbraw/zinc/33/24/89/375332489.db2.gz ARNGVWUIGOLJKM-HNNXBMFYSA-N 1 2 280.375 3.394 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000335575354 375332493 /nfs/dbraw/zinc/33/24/93/375332493.db2.gz ARNGVWUIGOLJKM-HNNXBMFYSA-N 1 2 280.375 3.394 20 30 CGEDLO CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1F ZINC000495172637 375497099 /nfs/dbraw/zinc/49/70/99/375497099.db2.gz KQVNJLDUTYSCCP-LBPRGKRZSA-N 1 2 264.344 3.206 20 30 CGEDLO CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1F ZINC000495172637 375497109 /nfs/dbraw/zinc/49/71/09/375497109.db2.gz KQVNJLDUTYSCCP-LBPRGKRZSA-N 1 2 264.344 3.206 20 30 CGEDLO C#CCCCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000190488581 375515114 /nfs/dbraw/zinc/51/51/14/375515114.db2.gz VAVZZFNJMWNEPU-UHFFFAOYSA-N 1 2 260.337 3.001 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(Cl)cc1Cl ZINC000191114176 375580135 /nfs/dbraw/zinc/58/01/35/375580135.db2.gz LLVWMGHPBHGSBI-UHFFFAOYSA-N 1 2 275.179 3.023 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(Cl)cc1Cl ZINC000191114176 375580141 /nfs/dbraw/zinc/58/01/41/375580141.db2.gz LLVWMGHPBHGSBI-UHFFFAOYSA-N 1 2 275.179 3.023 20 30 CGEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000191441605 375629521 /nfs/dbraw/zinc/62/95/21/375629521.db2.gz OANXMTAOXIBGQL-GFCCVEGCSA-N 1 2 280.393 3.033 20 30 CGEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000191441605 375629526 /nfs/dbraw/zinc/62/95/26/375629526.db2.gz OANXMTAOXIBGQL-GFCCVEGCSA-N 1 2 280.393 3.033 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(C(C)(C)C)n1 ZINC000191759649 375659335 /nfs/dbraw/zinc/65/93/35/375659335.db2.gz LUVHERUREPKLLU-UHFFFAOYSA-N 1 2 268.426 3.075 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(C(C)(C)C)n1 ZINC000191759649 375659341 /nfs/dbraw/zinc/65/93/41/375659341.db2.gz LUVHERUREPKLLU-UHFFFAOYSA-N 1 2 268.426 3.075 20 30 CGEDLO CCCn1c2ccccc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000191512184 375637507 /nfs/dbraw/zinc/63/75/07/375637507.db2.gz VIPWAELHRGMXFR-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000500780983 375637994 /nfs/dbraw/zinc/63/79/94/375637994.db2.gz MRUNFTGWXQJMEU-JKSUJKDBSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CC[NH+](CC=C)Cc1conc1Cc1ccccc1 ZINC000506868898 375667337 /nfs/dbraw/zinc/66/73/37/375667337.db2.gz VZUDMPJVVQTUSM-UHFFFAOYSA-N 1 2 268.360 3.439 20 30 CGEDLO CC[N@@H+](Cc1cccnc1C(F)(F)F)C[C@H](C)C#N ZINC000528369248 375900476 /nfs/dbraw/zinc/90/04/76/375900476.db2.gz ZJBHCOBSGDYWEF-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1cccnc1C(F)(F)F)C[C@H](C)C#N ZINC000528369248 375900480 /nfs/dbraw/zinc/90/04/80/375900480.db2.gz ZJBHCOBSGDYWEF-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO C[C@H](C#N)C[N@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000532817639 375953893 /nfs/dbraw/zinc/95/38/93/375953893.db2.gz HNMIQNPXJXPFDK-CYBMUJFWSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000532817639 375953898 /nfs/dbraw/zinc/95/38/98/375953898.db2.gz HNMIQNPXJXPFDK-CYBMUJFWSA-N 1 2 272.779 3.316 20 30 CGEDLO N#CC1(CCC[N@H+]2CCCC[C@H]2C(F)F)CCOCC1 ZINC000337510169 376226034 /nfs/dbraw/zinc/22/60/34/376226034.db2.gz ILFNJQXDDCYPOY-ZDUSSCGKSA-N 1 2 286.366 3.207 20 30 CGEDLO N#CC1(CCC[N@@H+]2CCCC[C@H]2C(F)F)CCOCC1 ZINC000337510169 376226035 /nfs/dbraw/zinc/22/60/35/376226035.db2.gz ILFNJQXDDCYPOY-ZDUSSCGKSA-N 1 2 286.366 3.207 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccccc1C(F)(F)F ZINC000338263443 376303156 /nfs/dbraw/zinc/30/31/56/376303156.db2.gz MXMMUJDFQDSRQB-NSHDSACASA-N 1 2 286.297 3.176 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000338263443 376303160 /nfs/dbraw/zinc/30/31/60/376303160.db2.gz MXMMUJDFQDSRQB-NSHDSACASA-N 1 2 286.297 3.176 20 30 CGEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000562821564 377364085 /nfs/dbraw/zinc/36/40/85/377364085.db2.gz SPNGSDLKFKLKGI-JJEJIETFSA-N 1 2 290.370 3.026 20 30 CGEDLO N#Cc1cnc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000562821564 377364091 /nfs/dbraw/zinc/36/40/91/377364091.db2.gz SPNGSDLKFKLKGI-JJEJIETFSA-N 1 2 290.370 3.026 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000572613970 377549725 /nfs/dbraw/zinc/54/97/25/377549725.db2.gz SHPDUCRFPBKZKY-AWEZNQCLSA-N 1 2 273.380 3.030 20 30 CGEDLO C[N@H+](Cc1cc(Cl)ccc1F)CC(C)(C)C#N ZINC000258970229 377801680 /nfs/dbraw/zinc/80/16/80/377801680.db2.gz UXWHUXIWLJURLZ-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)ccc1F)CC(C)(C)C#N ZINC000258970229 377801688 /nfs/dbraw/zinc/80/16/88/377801688.db2.gz UXWHUXIWLJURLZ-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO CCOC(=O)CCCCC[N@H+](CCC#N)Cc1ccco1 ZINC000267041228 378030089 /nfs/dbraw/zinc/03/00/89/378030089.db2.gz DAPDHZYNJNFJPV-UHFFFAOYSA-N 1 2 292.379 3.119 20 30 CGEDLO CCOC(=O)CCCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000267041228 378030094 /nfs/dbraw/zinc/03/00/94/378030094.db2.gz DAPDHZYNJNFJPV-UHFFFAOYSA-N 1 2 292.379 3.119 20 30 CGEDLO CCOc1ccc(C[N@H+](CC)CCC#N)cc1OCC ZINC000267235554 378034502 /nfs/dbraw/zinc/03/45/02/378034502.db2.gz WODIQYUAVLVSAI-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCOc1ccc(C[N@@H+](CC)CCC#N)cc1OCC ZINC000267235554 378034507 /nfs/dbraw/zinc/03/45/07/378034507.db2.gz WODIQYUAVLVSAI-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CC(C)[C@H](C/[NH+]=C/c1cccc(O)c1O)c1cccnc1 ZINC000267542530 378041596 /nfs/dbraw/zinc/04/15/96/378041596.db2.gz CBJIUYYFPCRNRT-RPJLVFAOSA-N 1 2 284.359 3.352 20 30 CGEDLO C=CCOc1ccc(C[NH2+]CC(C)(F)F)cc1OC ZINC000574655362 335038027 /nfs/dbraw/zinc/03/80/27/335038027.db2.gz UMNPTHISQAIHFB-UHFFFAOYSA-N 1 2 271.307 3.005 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343561721 378021663 /nfs/dbraw/zinc/02/16/63/378021663.db2.gz GUTPEHOVSAGHSA-UHFFFAOYSA-N 1 2 285.416 3.404 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343561721 378021665 /nfs/dbraw/zinc/02/16/65/378021665.db2.gz GUTPEHOVSAGHSA-UHFFFAOYSA-N 1 2 285.416 3.404 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCCC)cc1 ZINC000577929335 378024140 /nfs/dbraw/zinc/02/41/40/378024140.db2.gz CSCMFPPNLAIPKO-UHFFFAOYSA-N 1 2 258.365 3.377 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCCC)cc1 ZINC000577929335 378024144 /nfs/dbraw/zinc/02/41/44/378024144.db2.gz CSCMFPPNLAIPKO-UHFFFAOYSA-N 1 2 258.365 3.377 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(C)c(OC)c3)no2)CC1 ZINC000269457203 378224566 /nfs/dbraw/zinc/22/45/66/378224566.db2.gz QXEKQDGROZOPFP-UHFFFAOYSA-N 1 2 299.374 3.206 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000269916521 378281455 /nfs/dbraw/zinc/28/14/55/378281455.db2.gz SNGWUPBXRGVSLD-CQSZACIVSA-N 1 2 284.186 3.390 20 30 CGEDLO C#CCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000269916521 378281456 /nfs/dbraw/zinc/28/14/56/378281456.db2.gz SNGWUPBXRGVSLD-CQSZACIVSA-N 1 2 284.186 3.390 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)OCC ZINC000270052165 378299449 /nfs/dbraw/zinc/29/94/49/378299449.db2.gz MNZOTWPVSGOQEU-HNNXBMFYSA-N 1 2 299.374 3.387 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000271119134 378455403 /nfs/dbraw/zinc/45/54/03/378455403.db2.gz GVEROLBWRMGOIA-SECBINFHSA-N 1 2 274.336 3.327 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000271119134 378455406 /nfs/dbraw/zinc/45/54/06/378455406.db2.gz GVEROLBWRMGOIA-SECBINFHSA-N 1 2 274.336 3.327 20 30 CGEDLO CCOc1c(Cl)cc(C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271128643 378457384 /nfs/dbraw/zinc/45/73/84/378457384.db2.gz MPPYEYXJPTVPPE-NSHDSACASA-N 1 2 296.798 3.339 20 30 CGEDLO CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271128643 378457388 /nfs/dbraw/zinc/45/73/88/378457388.db2.gz MPPYEYXJPTVPPE-NSHDSACASA-N 1 2 296.798 3.339 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1Cl ZINC000271128732 378459202 /nfs/dbraw/zinc/45/92/02/378459202.db2.gz MWVFZCCQSLNZQP-LBPRGKRZSA-N 1 2 278.783 3.496 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1Cl ZINC000271128732 378459211 /nfs/dbraw/zinc/45/92/11/378459211.db2.gz MWVFZCCQSLNZQP-LBPRGKRZSA-N 1 2 278.783 3.496 20 30 CGEDLO C=CCC(CC=C)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272717926 378694248 /nfs/dbraw/zinc/69/42/48/378694248.db2.gz YVXBMLUBJXVVRP-CQSZACIVSA-N 1 2 291.395 3.087 20 30 CGEDLO C=CCC(CC=C)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272717926 378694252 /nfs/dbraw/zinc/69/42/52/378694252.db2.gz YVXBMLUBJXVVRP-CQSZACIVSA-N 1 2 291.395 3.087 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2cccs2)oc1C)C1CC1 ZINC000274137200 378781725 /nfs/dbraw/zinc/78/17/25/378781725.db2.gz JKGCOKAHTDAQFV-UHFFFAOYSA-N 1 2 272.373 3.309 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2cccs2)oc1C)C1CC1 ZINC000274137200 378781726 /nfs/dbraw/zinc/78/17/26/378781726.db2.gz JKGCOKAHTDAQFV-UHFFFAOYSA-N 1 2 272.373 3.309 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000348286549 378887522 /nfs/dbraw/zinc/88/75/22/378887522.db2.gz SBNDPTFHOCLJJW-TVQRCGJNSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000348286549 378887529 /nfs/dbraw/zinc/88/75/29/378887529.db2.gz SBNDPTFHOCLJJW-TVQRCGJNSA-N 1 2 286.272 3.470 20 30 CGEDLO C=CCC1(C(=O)Nc2cccc3[nH+]ccn32)CCC1 ZINC000276781502 378996163 /nfs/dbraw/zinc/99/61/63/378996163.db2.gz QWYPPEZJHGQRIC-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO CC(C)(C#N)CCCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375352242 379493558 /nfs/dbraw/zinc/49/35/58/379493558.db2.gz HGOIWTXVBHLOOY-UHFFFAOYSA-N 1 2 290.382 3.049 20 30 CGEDLO N#C[C@@H]1[N@H+](CCCCCF)CCC[C@]12CCCCO2 ZINC000375362804 379494160 /nfs/dbraw/zinc/49/41/60/379494160.db2.gz RRWZDOAEZNERFD-LSDHHAIUSA-N 1 2 268.376 3.053 20 30 CGEDLO N#C[C@@H]1[N@@H+](CCCCCF)CCC[C@]12CCCCO2 ZINC000375362804 379494165 /nfs/dbraw/zinc/49/41/65/379494165.db2.gz RRWZDOAEZNERFD-LSDHHAIUSA-N 1 2 268.376 3.053 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000376338202 379540299 /nfs/dbraw/zinc/54/02/99/379540299.db2.gz PKWODUXSGKXQLI-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000376338202 379540306 /nfs/dbraw/zinc/54/03/06/379540306.db2.gz PKWODUXSGKXQLI-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530128 379574195 /nfs/dbraw/zinc/57/41/95/379574195.db2.gz XWMVDLPOPYGURV-JTQLQIEISA-N 1 2 289.301 3.278 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530128 379574203 /nfs/dbraw/zinc/57/42/03/379574203.db2.gz XWMVDLPOPYGURV-JTQLQIEISA-N 1 2 289.301 3.278 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377505362 379688146 /nfs/dbraw/zinc/68/81/46/379688146.db2.gz ZQONGJHRELVQJA-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377505362 379688150 /nfs/dbraw/zinc/68/81/50/379688150.db2.gz ZQONGJHRELVQJA-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO C[N@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000640029569 379694426 /nfs/dbraw/zinc/69/44/26/379694426.db2.gz JGPKSDXMKKJACE-HIFRSBDPSA-N 1 2 274.339 3.023 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000640029569 379694431 /nfs/dbraw/zinc/69/44/31/379694431.db2.gz JGPKSDXMKKJACE-HIFRSBDPSA-N 1 2 274.339 3.023 20 30 CGEDLO C=C(C)C(C)(C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351313944 379710650 /nfs/dbraw/zinc/71/06/50/379710650.db2.gz RWZVCXNZQOAIFU-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000352450734 379820763 /nfs/dbraw/zinc/82/07/63/379820763.db2.gz SIQNUYPCPSIXPW-UHFFFAOYSA-N 1 2 294.757 3.103 20 30 CGEDLO COc1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1C#N ZINC000282386838 379909550 /nfs/dbraw/zinc/90/95/50/379909550.db2.gz QXJHWPGZCLXXQG-HNNXBMFYSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)ccc1C#N ZINC000282386838 379909553 /nfs/dbraw/zinc/90/95/53/379909553.db2.gz QXJHWPGZCLXXQG-HNNXBMFYSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)ccc1C#N ZINC000282386838 379909554 /nfs/dbraw/zinc/90/95/54/379909554.db2.gz QXJHWPGZCLXXQG-HNNXBMFYSA-N 1 2 296.374 3.017 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000384123448 379874875 /nfs/dbraw/zinc/87/48/75/379874875.db2.gz ZQCBIVIXPAXLAT-MRVPVSSYSA-N 1 2 272.179 3.310 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000384123448 379874886 /nfs/dbraw/zinc/87/48/86/379874886.db2.gz ZQCBIVIXPAXLAT-MRVPVSSYSA-N 1 2 272.179 3.310 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000352821947 379984057 /nfs/dbraw/zinc/98/40/57/379984057.db2.gz BWMOFLBLVKUPRS-QMMMGPOBSA-N 1 2 279.315 3.144 20 30 CGEDLO CSc1ccc(F)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352841203 379996880 /nfs/dbraw/zinc/99/68/80/379996880.db2.gz NZHLUYHRSJOPOH-UHFFFAOYSA-N 1 2 293.392 3.166 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1c(F)cncc1F ZINC000353120858 380124742 /nfs/dbraw/zinc/12/47/42/380124742.db2.gz RGVXGLMOZMPIOC-QMMMGPOBSA-N 1 2 279.315 3.144 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N(C)C(C)C ZINC000411183631 380134234 /nfs/dbraw/zinc/13/42/34/380134234.db2.gz JPRLEQTXVUMBGY-CQSZACIVSA-N 1 2 292.398 3.069 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N(C)C(C)C ZINC000411183631 380134240 /nfs/dbraw/zinc/13/42/40/380134240.db2.gz JPRLEQTXVUMBGY-CQSZACIVSA-N 1 2 292.398 3.069 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354026482 380286228 /nfs/dbraw/zinc/28/62/28/380286228.db2.gz URHZTNBQRLVKCJ-LBPRGKRZSA-N 1 2 292.452 3.113 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354026482 380286232 /nfs/dbraw/zinc/28/62/32/380286232.db2.gz URHZTNBQRLVKCJ-LBPRGKRZSA-N 1 2 292.452 3.113 20 30 CGEDLO COc1cc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354045673 380298498 /nfs/dbraw/zinc/29/84/98/380298498.db2.gz XVAFUFAEJKGNID-GFCCVEGCSA-N 1 2 288.391 3.136 20 30 CGEDLO COc1cc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354045673 380298505 /nfs/dbraw/zinc/29/85/05/380298505.db2.gz XVAFUFAEJKGNID-GFCCVEGCSA-N 1 2 288.391 3.136 20 30 CGEDLO C=C(C)C(C)(C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000643967608 380402808 /nfs/dbraw/zinc/40/28/08/380402808.db2.gz IWGPDMLCPLCPMH-UHFFFAOYSA-N 1 2 271.364 3.412 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C)n1 ZINC000417776756 380676577 /nfs/dbraw/zinc/67/65/77/380676577.db2.gz BJLUQRNDAMSOHU-MSOLQXFVSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C)n1 ZINC000417776756 380676583 /nfs/dbraw/zinc/67/65/83/380676583.db2.gz BJLUQRNDAMSOHU-MSOLQXFVSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(N2CCC(C)(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000355574135 380714877 /nfs/dbraw/zinc/71/48/77/380714877.db2.gz JWRUDMKUZCFXMD-UHFFFAOYSA-N 1 2 258.369 3.039 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000358498733 381312184 /nfs/dbraw/zinc/31/21/84/381312184.db2.gz MNWMWFMNFRQPEY-MRXNPFEDSA-N 1 2 261.365 3.035 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000358498733 381312187 /nfs/dbraw/zinc/31/21/87/381312187.db2.gz MNWMWFMNFRQPEY-MRXNPFEDSA-N 1 2 261.365 3.035 20 30 CGEDLO Cc1cccc(CCNc2ccc(F)cc2C#N)[nH+]1 ZINC000359811560 381369905 /nfs/dbraw/zinc/36/99/05/381369905.db2.gz GALLTVZYGSDPRM-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000334831575 207153768 /nfs/dbraw/zinc/15/37/68/207153768.db2.gz FBRJZEWREGMKFP-NSHDSACASA-N 1 2 287.363 3.143 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000334831575 207153772 /nfs/dbraw/zinc/15/37/72/207153772.db2.gz FBRJZEWREGMKFP-NSHDSACASA-N 1 2 287.363 3.143 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000361995940 381879332 /nfs/dbraw/zinc/87/93/32/381879332.db2.gz KQSHZUCZFVZOLR-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000361995940 381879340 /nfs/dbraw/zinc/87/93/40/381879340.db2.gz KQSHZUCZFVZOLR-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000369020610 382385936 /nfs/dbraw/zinc/38/59/36/382385936.db2.gz ZKHQOWKXKWWBRG-GJZGRUSLSA-N 1 2 270.380 3.229 20 30 CGEDLO Cc1ncsc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101267 392235772 /nfs/dbraw/zinc/23/57/72/392235772.db2.gz DEFUXYJNWOXCFH-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO Cc1ncsc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101267 392235773 /nfs/dbraw/zinc/23/57/73/392235773.db2.gz DEFUXYJNWOXCFH-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(Cl)c1OC ZINC000093090397 392233868 /nfs/dbraw/zinc/23/38/68/392233868.db2.gz JVMMKUACUKRSEW-NSHDSACASA-N 1 2 296.798 3.481 20 30 CGEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(Cl)c1OC ZINC000093090397 392233873 /nfs/dbraw/zinc/23/38/73/392233873.db2.gz JVMMKUACUKRSEW-NSHDSACASA-N 1 2 296.798 3.481 20 30 CGEDLO C[C@@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000118413426 392392893 /nfs/dbraw/zinc/39/28/93/392392893.db2.gz HCSZQXQNGWQZJY-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000118413426 392392897 /nfs/dbraw/zinc/39/28/97/392392897.db2.gz HCSZQXQNGWQZJY-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)cc2c1OCC2)C[C@H](C)C#N ZINC000136412884 392477925 /nfs/dbraw/zinc/47/79/25/392477925.db2.gz PCBJAUSAUPMRDQ-LLVKDONJSA-N 1 2 278.783 3.256 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)cc2c1OCC2)C[C@H](C)C#N ZINC000136412884 392477930 /nfs/dbraw/zinc/47/79/30/392477930.db2.gz PCBJAUSAUPMRDQ-LLVKDONJSA-N 1 2 278.783 3.256 20 30 CGEDLO CC1(C)CC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000329527715 392685531 /nfs/dbraw/zinc/68/55/31/392685531.db2.gz SEGLKPBCYNMECA-GFCCVEGCSA-N 1 2 272.352 3.048 20 30 CGEDLO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C#N)CC1 ZINC000334261866 392714579 /nfs/dbraw/zinc/71/45/79/392714579.db2.gz UKVVWGZSGSJPTR-UHFFFAOYSA-N 1 2 287.388 3.447 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(C#N)cc1Br ZINC000180968081 392716141 /nfs/dbraw/zinc/71/61/41/392716141.db2.gz FRXFNQVQDOAIQN-UHFFFAOYSA-N 1 2 291.192 3.495 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000335599642 392802068 /nfs/dbraw/zinc/80/20/68/392802068.db2.gz VCRCHJDXDJQUEU-GXFFZTMASA-N 1 2 255.296 3.478 20 30 CGEDLO Cc1c(C[N@@H+](C[C@H](C)C#N)C2CC2)cccc1[N+](=O)[O-] ZINC000338353680 392910855 /nfs/dbraw/zinc/91/08/55/392910855.db2.gz PEJQVSKBQYLEHS-LLVKDONJSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1c(C[N@H+](C[C@H](C)C#N)C2CC2)cccc1[N+](=O)[O-] ZINC000338353680 392910861 /nfs/dbraw/zinc/91/08/61/392910861.db2.gz PEJQVSKBQYLEHS-LLVKDONJSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc2c(C3=CC[N@H+](CCC#N)CC3)c[nH]c2c1 ZINC000336384499 392852800 /nfs/dbraw/zinc/85/28/00/392852800.db2.gz XWZAVHNIQPGGFM-UHFFFAOYSA-N 1 2 265.360 3.479 20 30 CGEDLO Cc1ccc2c(C3=CC[N@@H+](CCC#N)CC3)c[nH]c2c1 ZINC000336384499 392852802 /nfs/dbraw/zinc/85/28/02/392852802.db2.gz XWZAVHNIQPGGFM-UHFFFAOYSA-N 1 2 265.360 3.479 20 30 CGEDLO Cc1cc(N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c(C#N)c[nH+]1 ZINC000528217634 392966141 /nfs/dbraw/zinc/96/61/41/392966141.db2.gz PGWQQEIDATXRMS-IAOVAPTHSA-N 1 2 295.773 3.087 20 30 CGEDLO C=C1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346316896 393084001 /nfs/dbraw/zinc/08/40/01/393084001.db2.gz UUTXRNQZDVSTLQ-UHFFFAOYSA-N 1 2 281.359 3.421 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(C)(C)C#N)n1 ZINC000345717949 393065695 /nfs/dbraw/zinc/06/56/95/393065695.db2.gz VAYDPNRFLGYXRF-LLVKDONJSA-N 1 2 296.440 3.255 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000345717949 393065701 /nfs/dbraw/zinc/06/57/01/393065701.db2.gz VAYDPNRFLGYXRF-LLVKDONJSA-N 1 2 296.440 3.255 20 30 CGEDLO Cc1cc([C@H]2C[N@H+]([C@H](C)CCC#N)CCO2)ccc1F ZINC000351322985 393180690 /nfs/dbraw/zinc/18/06/90/393180690.db2.gz DLHAMCSVVFUEQR-CZUORRHYSA-N 1 2 276.355 3.200 20 30 CGEDLO Cc1cc([C@H]2C[N@@H+]([C@H](C)CCC#N)CCO2)ccc1F ZINC000351322985 393180696 /nfs/dbraw/zinc/18/06/96/393180696.db2.gz DLHAMCSVVFUEQR-CZUORRHYSA-N 1 2 276.355 3.200 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000348711405 393129606 /nfs/dbraw/zinc/12/96/06/393129606.db2.gz QUNIRNOHNIXRRW-UHFFFAOYSA-N 1 2 291.351 3.231 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccsc2Cl)c1 ZINC000568971470 393194742 /nfs/dbraw/zinc/19/47/42/393194742.db2.gz UJKYUMHJFKWHGT-UHFFFAOYSA-N 1 2 263.753 3.475 20 30 CGEDLO Cc1cc(CNc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC000443994685 393780894 /nfs/dbraw/zinc/78/08/94/393780894.db2.gz LWRAENZRTDKZCY-UHFFFAOYSA-N 1 2 292.386 3.474 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1Cl ZINC000668422485 543011028 /nfs/dbraw/zinc/01/10/28/543011028.db2.gz AKSMMSHLJDRGPJ-UHFFFAOYSA-N 1 2 291.782 3.260 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1Cl ZINC000668422485 543011030 /nfs/dbraw/zinc/01/10/30/543011030.db2.gz AKSMMSHLJDRGPJ-UHFFFAOYSA-N 1 2 291.782 3.260 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1Cl ZINC000668422485 543011031 /nfs/dbraw/zinc/01/10/31/543011031.db2.gz AKSMMSHLJDRGPJ-UHFFFAOYSA-N 1 2 291.782 3.260 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1Cl ZINC000668422485 543011032 /nfs/dbraw/zinc/01/10/32/543011032.db2.gz AKSMMSHLJDRGPJ-UHFFFAOYSA-N 1 2 291.782 3.260 20 30 CGEDLO C=CCOc1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000671723983 543181270 /nfs/dbraw/zinc/18/12/70/543181270.db2.gz ZMEPTYIMNOTRMH-UHFFFAOYSA-N 1 2 293.370 3.418 20 30 CGEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000188033300 397662586 /nfs/dbraw/zinc/66/25/86/397662586.db2.gz BOVSZSFFIGTMQL-ZDUSSCGKSA-N 1 2 299.349 3.001 20 30 CGEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000188033300 397662587 /nfs/dbraw/zinc/66/25/87/397662587.db2.gz BOVSZSFFIGTMQL-ZDUSSCGKSA-N 1 2 299.349 3.001 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000677476950 543450829 /nfs/dbraw/zinc/45/08/29/543450829.db2.gz KREYNMUYNGHNNP-GFCCVEGCSA-N 1 2 278.783 3.012 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000677476950 543450830 /nfs/dbraw/zinc/45/08/30/543450830.db2.gz KREYNMUYNGHNNP-GFCCVEGCSA-N 1 2 278.783 3.012 20 30 CGEDLO COCC#CC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000677818790 543468386 /nfs/dbraw/zinc/46/83/86/543468386.db2.gz VZVPJAPFEMLPED-GFCCVEGCSA-N 1 2 296.208 3.092 20 30 CGEDLO COCC#CC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000677818790 543468388 /nfs/dbraw/zinc/46/83/88/543468388.db2.gz VZVPJAPFEMLPED-GFCCVEGCSA-N 1 2 296.208 3.092 20 30 CGEDLO Cc1cc(NCc2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000037502168 173238311 /nfs/dbraw/zinc/23/83/11/173238311.db2.gz CYPCNXLCKHLBIA-UHFFFAOYSA-N 1 2 266.348 3.392 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2[nH]1)Cc1cccc(C#N)c1 ZINC000130777039 287362953 /nfs/dbraw/zinc/36/29/53/287362953.db2.gz QPOKPYHPXQAIPJ-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1cccc(C#N)c1 ZINC000130777039 287362954 /nfs/dbraw/zinc/36/29/54/287362954.db2.gz QPOKPYHPXQAIPJ-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO COCC[N@H+](CCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000347121335 226033371 /nfs/dbraw/zinc/03/33/71/226033371.db2.gz LTSUEYZEQJKZEW-OAHLLOKOSA-N 1 2 264.413 3.231 20 30 CGEDLO COCC[N@@H+](CCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000347121335 226033374 /nfs/dbraw/zinc/03/33/74/226033374.db2.gz LTSUEYZEQJKZEW-OAHLLOKOSA-N 1 2 264.413 3.231 20 30 CGEDLO C=CCOc1ccccc1CNc1nc(C)[nH+]cc1C ZINC000656125058 419144157 /nfs/dbraw/zinc/14/41/57/419144157.db2.gz RGWHIMQIYHSGGI-UHFFFAOYSA-N 1 2 269.348 3.270 20 30 CGEDLO C=CC[N@H+](Cc1ncc(-c2cccs2)o1)[C@@H](C)COC ZINC000661242547 419244344 /nfs/dbraw/zinc/24/43/44/419244344.db2.gz CKDHYURZMVHMEK-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(-c2cccs2)o1)[C@@H](C)COC ZINC000661242547 419244346 /nfs/dbraw/zinc/24/43/46/419244346.db2.gz CKDHYURZMVHMEK-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@H+](Cc1ccn(C2CCCC2)n1)[C@H](C)COC ZINC000661244236 419244436 /nfs/dbraw/zinc/24/44/36/419244436.db2.gz RXYGJVNDBGXYHV-CQSZACIVSA-N 1 2 277.412 3.021 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(C2CCCC2)n1)[C@H](C)COC ZINC000661244236 419244437 /nfs/dbraw/zinc/24/44/37/419244437.db2.gz RXYGJVNDBGXYHV-CQSZACIVSA-N 1 2 277.412 3.021 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1nccn1C(C)C ZINC000657358390 419259434 /nfs/dbraw/zinc/25/94/34/419259434.db2.gz VQQKNCLSOKDZAI-UHFFFAOYSA-N 1 2 285.391 3.319 20 30 CGEDLO C=C(C)COc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657409986 419273040 /nfs/dbraw/zinc/27/30/40/419273040.db2.gz ZTJNDMPCUWTSRB-UHFFFAOYSA-N 1 2 257.337 3.285 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC000356057865 228104241 /nfs/dbraw/zinc/10/42/41/228104241.db2.gz FUUQCSAVIZVHPU-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC000356057865 228104242 /nfs/dbraw/zinc/10/42/42/228104242.db2.gz FUUQCSAVIZVHPU-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000331741484 228123058 /nfs/dbraw/zinc/12/30/58/228123058.db2.gz AVBBRQJSAJLXEZ-MNOVXSKESA-N 1 2 290.317 3.213 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(F)cccc1F ZINC000662086796 419334230 /nfs/dbraw/zinc/33/42/30/419334230.db2.gz YQUNFOLMJPCBDF-TXEJJXNPSA-N 1 2 292.329 3.086 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(F)cccc1F ZINC000662086796 419334231 /nfs/dbraw/zinc/33/42/31/419334231.db2.gz YQUNFOLMJPCBDF-TXEJJXNPSA-N 1 2 292.329 3.086 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000352092686 228181646 /nfs/dbraw/zinc/18/16/46/228181646.db2.gz VRPJZCCVVWLDPJ-NSHDSACASA-N 1 2 288.782 3.322 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000352092686 228181647 /nfs/dbraw/zinc/18/16/47/228181647.db2.gz VRPJZCCVVWLDPJ-NSHDSACASA-N 1 2 288.782 3.322 20 30 CGEDLO C=CC[C@@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000664252980 419866992 /nfs/dbraw/zinc/86/69/92/419866992.db2.gz GUKXTMVTFABCTH-GFCCVEGCSA-N 1 2 268.364 3.005 20 30 CGEDLO C=CCCc1noc([C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000297353926 260119828 /nfs/dbraw/zinc/11/98/28/260119828.db2.gz PICTYAYMEXDXMC-HNNXBMFYSA-N 1 2 271.364 3.229 20 30 CGEDLO C=CCCc1noc([C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000297353926 260119829 /nfs/dbraw/zinc/11/98/29/260119829.db2.gz PICTYAYMEXDXMC-HNNXBMFYSA-N 1 2 271.364 3.229 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000298881198 260168922 /nfs/dbraw/zinc/16/89/22/260168922.db2.gz KDEBVCDAJDUGIJ-LBPRGKRZSA-N 1 2 257.761 3.335 20 30 CGEDLO N#CCC[N@H+](CCCc1ccccc1)Cc1ccccn1 ZINC000081160148 260331292 /nfs/dbraw/zinc/33/12/92/260331292.db2.gz JVCHBVAICPECCW-UHFFFAOYSA-N 1 2 279.387 3.430 20 30 CGEDLO N#CCC[N@@H+](CCCc1ccccc1)Cc1ccccn1 ZINC000081160148 260331295 /nfs/dbraw/zinc/33/12/95/260331295.db2.gz JVCHBVAICPECCW-UHFFFAOYSA-N 1 2 279.387 3.430 20 30 CGEDLO Cc1cc[nH+]cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000119005123 260690699 /nfs/dbraw/zinc/69/06/99/260690699.db2.gz FQXDWRFJHBJQNP-UHFFFAOYSA-N 1 2 280.375 3.352 20 30 CGEDLO C=CCN(CCc1ccccc1)c1cc[nH+]c(C)n1 ZINC000360535645 261075129 /nfs/dbraw/zinc/07/51/29/261075129.db2.gz QNWQEJYTROYQFL-UHFFFAOYSA-N 1 2 253.349 3.020 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000490821233 261215237 /nfs/dbraw/zinc/21/52/37/261215237.db2.gz RNAQCVWHYHHHGD-CQSZACIVSA-N 1 2 283.375 3.370 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000490821233 261215238 /nfs/dbraw/zinc/21/52/38/261215238.db2.gz RNAQCVWHYHHHGD-CQSZACIVSA-N 1 2 283.375 3.370 20 30 CGEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000490852359 261227862 /nfs/dbraw/zinc/22/78/62/261227862.db2.gz MFMCVLPUZISUIQ-UHFFFAOYSA-N 1 2 292.382 3.247 20 30 CGEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000490852359 261227863 /nfs/dbraw/zinc/22/78/63/261227863.db2.gz MFMCVLPUZISUIQ-UHFFFAOYSA-N 1 2 292.382 3.247 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000162425735 261281493 /nfs/dbraw/zinc/28/14/93/261281493.db2.gz MYXQWWBMKGBRFR-SNVBAGLBSA-N 1 2 272.270 3.319 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000162425735 261281495 /nfs/dbraw/zinc/28/14/95/261281495.db2.gz MYXQWWBMKGBRFR-SNVBAGLBSA-N 1 2 272.270 3.319 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H](C)C#N ZINC000162170736 262325861 /nfs/dbraw/zinc/32/58/61/262325861.db2.gz HQLCYJPGBNHBHF-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)cc1F)C[C@@H](C)C#N ZINC000162170736 262325862 /nfs/dbraw/zinc/32/58/62/262325862.db2.gz HQLCYJPGBNHBHF-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000273872050 263020234 /nfs/dbraw/zinc/02/02/34/263020234.db2.gz OVUHHUSOKXBUMI-CYBMUJFWSA-N 1 2 264.756 3.057 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714434 263049972 /nfs/dbraw/zinc/04/99/72/263049972.db2.gz UQAREAXQVOUBOM-UHOFOFEASA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714434 263049973 /nfs/dbraw/zinc/04/99/73/263049973.db2.gz UQAREAXQVOUBOM-UHOFOFEASA-N 1 2 290.794 3.406 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1C/[NH+]=C/c1cccc(OCC)c1O ZINC000281696050 263071335 /nfs/dbraw/zinc/07/13/35/263071335.db2.gz GVNIXAYRADVONH-JPZRGBGSSA-N 1 2 289.375 3.191 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000292321491 263130985 /nfs/dbraw/zinc/13/09/85/263130985.db2.gz VVXVLCBFRZDIPB-AWEZNQCLSA-N 1 2 298.308 3.140 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000292321491 263130986 /nfs/dbraw/zinc/13/09/86/263130986.db2.gz VVXVLCBFRZDIPB-AWEZNQCLSA-N 1 2 298.308 3.140 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000294485390 263162635 /nfs/dbraw/zinc/16/26/35/263162635.db2.gz HLSYPYNWTZGBPM-UHOFOFEASA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000294485390 263162636 /nfs/dbraw/zinc/16/26/36/263162636.db2.gz HLSYPYNWTZGBPM-UHOFOFEASA-N 1 2 290.794 3.406 20 30 CGEDLO CCCCCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299665046 263251359 /nfs/dbraw/zinc/25/13/59/263251359.db2.gz NWKJUCRSXDISBJ-UHFFFAOYSA-N 1 2 277.412 3.476 20 30 CGEDLO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc[nH+]1 ZINC000328998370 263913441 /nfs/dbraw/zinc/91/34/41/263913441.db2.gz KLBQZBFIGARTQY-MELADBBJSA-N 1 2 273.380 3.107 20 30 CGEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331213685 264163870 /nfs/dbraw/zinc/16/38/70/264163870.db2.gz AKPBWENXIIZNRE-STQMWFEESA-N 1 2 292.427 3.328 20 30 CGEDLO CC[C@H](C)C[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331213685 264163872 /nfs/dbraw/zinc/16/38/72/264163872.db2.gz AKPBWENXIIZNRE-STQMWFEESA-N 1 2 292.427 3.328 20 30 CGEDLO CCOC(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331328311 264191216 /nfs/dbraw/zinc/19/12/16/264191216.db2.gz NPFYGJSRPCSUDB-UHFFFAOYSA-N 1 2 279.384 3.148 20 30 CGEDLO CC[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)C1CCOCC1 ZINC000331339701 264194522 /nfs/dbraw/zinc/19/45/22/264194522.db2.gz MNBOPHDTUBANLM-CQSZACIVSA-N 1 2 291.395 3.230 20 30 CGEDLO CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H]1CCCO1 ZINC000331350082 264206885 /nfs/dbraw/zinc/20/68/85/264206885.db2.gz YEZMASPBKFPQKD-UONOGXRCSA-N 1 2 291.395 3.290 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331360211 264209092 /nfs/dbraw/zinc/20/90/92/264209092.db2.gz XNWFFHSARUIBJF-SKDRFNHKSA-N 1 2 279.727 3.030 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC000042268074 270032059 /nfs/dbraw/zinc/03/20/59/270032059.db2.gz RFXVBIYGBBJQJB-UHFFFAOYSA-N 1 2 266.344 3.199 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC000042268074 270032060 /nfs/dbraw/zinc/03/20/60/270032060.db2.gz RFXVBIYGBBJQJB-UHFFFAOYSA-N 1 2 266.344 3.199 20 30 CGEDLO CC[C@H]1C[C@H](C[N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912822 266209938 /nfs/dbraw/zinc/20/99/38/266209938.db2.gz GKWVAWCCODCBKQ-WBVHZDCISA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@H]1C[C@H](C[N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912822 266209941 /nfs/dbraw/zinc/20/99/41/266209941.db2.gz GKWVAWCCODCBKQ-WBVHZDCISA-N 1 2 287.407 3.002 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H](c2ccccn2)C2CCC2)n1 ZINC000527773526 270135114 /nfs/dbraw/zinc/13/51/14/270135114.db2.gz UAZLGPKMCICISL-OAHLLOKOSA-N 1 2 284.388 3.041 20 30 CGEDLO CCN(CC#N)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115046268 267088744 /nfs/dbraw/zinc/08/87/44/267088744.db2.gz SDNVCDCVOFDIBV-UHFFFAOYSA-N 1 2 295.342 3.168 20 30 CGEDLO CCC(F)(F)C(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000528182261 270156674 /nfs/dbraw/zinc/15/66/74/270156674.db2.gz KTYNQFFTZJLDLO-UHFFFAOYSA-N 1 2 267.323 3.167 20 30 CGEDLO Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000516738139 268035195 /nfs/dbraw/zinc/03/51/95/268035195.db2.gz LZSCDCLUJZUWIN-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCc2ccsc2C1 ZINC000459390753 268290792 /nfs/dbraw/zinc/29/07/92/268290792.db2.gz NWWWGHOBXOULLM-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCc2ccsc2C1 ZINC000459390753 268290794 /nfs/dbraw/zinc/29/07/94/268290794.db2.gz NWWWGHOBXOULLM-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO Cc1cc(N[C@H]2CCc3c2cccc3Cl)c(C#N)c[nH+]1 ZINC000425205014 274674507 /nfs/dbraw/zinc/67/45/07/274674507.db2.gz AYDMPEOGCDVESS-HNNXBMFYSA-N 1 2 283.762 3.436 20 30 CGEDLO COc1cc(OC)c(OC)cc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185749969 327844269 /nfs/dbraw/zinc/84/42/69/327844269.db2.gz RQYBONALEMYBAN-RYUDHWBXSA-N 1 2 290.363 3.207 20 30 CGEDLO C=CCOCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000338544315 327983942 /nfs/dbraw/zinc/98/39/42/327983942.db2.gz LVIIOROZLHJOIO-UHFFFAOYSA-N 1 2 273.332 3.133 20 30 CGEDLO C=C(C)COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000271135692 328195078 /nfs/dbraw/zinc/19/50/78/328195078.db2.gz RBXAWLMSMGKTAZ-AWEZNQCLSA-N 1 2 288.391 3.242 20 30 CGEDLO C=C(C)COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000271135692 328195080 /nfs/dbraw/zinc/19/50/80/328195080.db2.gz RBXAWLMSMGKTAZ-AWEZNQCLSA-N 1 2 288.391 3.242 20 30 CGEDLO Cc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000152341214 321697993 /nfs/dbraw/zinc/69/79/93/321697993.db2.gz VURQYZONZCFRSS-UHFFFAOYSA-N 1 2 294.358 3.234 20 30 CGEDLO C=CC[NH+](CC=C)Cc1csc(-c2ccccn2)n1 ZINC000111683538 328374668 /nfs/dbraw/zinc/37/46/68/328374668.db2.gz DZQRNFNAOXVZMQ-UHFFFAOYSA-N 1 2 271.389 3.379 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528442468 327203874 /nfs/dbraw/zinc/20/38/74/327203874.db2.gz YOKBCNCGUYZCRO-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(C(N)=O)cs1 ZINC000119945559 327295951 /nfs/dbraw/zinc/29/59/51/327295951.db2.gz ISBRKMOVOLTVQC-UHFFFAOYSA-N 1 2 292.429 3.097 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(C(N)=O)cs1 ZINC000119945559 327295952 /nfs/dbraw/zinc/29/59/52/327295952.db2.gz ISBRKMOVOLTVQC-UHFFFAOYSA-N 1 2 292.429 3.097 20 30 CGEDLO Cc1noc(C)c1[C@H](C)C/[NH+]=C/c1ccccc1O ZINC000129588219 327431644 /nfs/dbraw/zinc/43/16/44/327431644.db2.gz YSOTVAPVWVUGSG-VCBXAZPMSA-N 1 2 258.321 3.220 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000584358843 329103650 /nfs/dbraw/zinc/10/36/50/329103650.db2.gz IREYGTWTQJYPPS-ZDUSSCGKSA-N 1 2 273.380 3.030 20 30 CGEDLO C=CC[C@H](C(=O)Nc1c[nH+]ccc1OC)c1ccccc1 ZINC000188853034 329373884 /nfs/dbraw/zinc/37/38/84/329373884.db2.gz UXFYGPWUZCZTCH-AWEZNQCLSA-N 1 2 282.343 3.389 20 30 CGEDLO C=CC1CC[NH+](Cc2noc(-c3ccccc3C)n2)CC1 ZINC000128637090 329610321 /nfs/dbraw/zinc/61/03/21/329610321.db2.gz PAGUNNAVNRXLAI-UHFFFAOYSA-N 1 2 283.375 3.443 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)nn1 ZINC000424298407 330336544 /nfs/dbraw/zinc/33/65/44/330336544.db2.gz SFGUZEXIWUBGPT-SNVBAGLBSA-N 1 2 294.761 3.107 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC000449850326 330952211 /nfs/dbraw/zinc/95/22/11/330952211.db2.gz MLMNQKMLXCZPOW-UHFFFAOYSA-N 1 2 297.402 3.395 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CC1(C#N)CCC1 ZINC000450904973 331006209 /nfs/dbraw/zinc/00/62/09/331006209.db2.gz CIYNLJIPPZLDOP-CQSZACIVSA-N 1 2 272.396 3.124 20 30 CGEDLO C=CCCc1noc([C@@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000453240580 331105978 /nfs/dbraw/zinc/10/59/78/331105978.db2.gz URTPECOQTUUJJE-CQSZACIVSA-N 1 2 291.782 3.493 20 30 CGEDLO C=C[C@H](CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456442418 331192764 /nfs/dbraw/zinc/19/27/64/331192764.db2.gz ZQDDJNMFQHFCCO-SQWLQELKSA-N 1 2 295.386 3.365 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000463234399 331343252 /nfs/dbraw/zinc/34/32/52/331343252.db2.gz UBQPENIXZXDCQA-RDJZCZTQSA-N 1 2 257.377 3.089 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000463234399 331343253 /nfs/dbraw/zinc/34/32/53/331343253.db2.gz UBQPENIXZXDCQA-RDJZCZTQSA-N 1 2 257.377 3.089 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000489489195 332056039 /nfs/dbraw/zinc/05/60/39/332056039.db2.gz YZHRRPXAZLQYSJ-HNNXBMFYSA-N 1 2 283.375 3.201 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000489489195 332056040 /nfs/dbraw/zinc/05/60/40/332056040.db2.gz YZHRRPXAZLQYSJ-HNNXBMFYSA-N 1 2 283.375 3.201 20 30 CGEDLO C#C[C@H](CC)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000491192806 332163322 /nfs/dbraw/zinc/16/33/22/332163322.db2.gz SEUISCJNPLRXNW-CYBMUJFWSA-N 1 2 295.342 3.407 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000491415979 332207719 /nfs/dbraw/zinc/20/77/19/332207719.db2.gz JESUFZRDGZDQLS-LBPRGKRZSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000491415979 332207720 /nfs/dbraw/zinc/20/77/20/332207720.db2.gz JESUFZRDGZDQLS-LBPRGKRZSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000491674788 332280613 /nfs/dbraw/zinc/28/06/13/332280613.db2.gz XZSNSBUMHHQAMF-OAHLLOKOSA-N 1 2 286.762 3.208 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491691481 332288334 /nfs/dbraw/zinc/28/83/34/332288334.db2.gz GJJDYQZZFQTRPZ-SNVBAGLBSA-N 1 2 276.286 3.073 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000491691481 332288336 /nfs/dbraw/zinc/28/83/36/332288336.db2.gz GJJDYQZZFQTRPZ-SNVBAGLBSA-N 1 2 276.286 3.073 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1F ZINC000491802692 332356530 /nfs/dbraw/zinc/35/65/30/332356530.db2.gz HAERGDKVTOWYAJ-HNNXBMFYSA-N 1 2 274.726 3.338 20 30 CGEDLO C=CCCC[NH2+][C@](CC)(C(=O)OC)c1ccccc1 ZINC000512286618 332961504 /nfs/dbraw/zinc/96/15/04/332961504.db2.gz PMYZXUWNYHOTMI-INIZCTEOSA-N 1 2 261.365 3.021 20 30 CGEDLO CC(C)[N@H+](CCOCC(F)(F)C(F)(F)F)CC(F)F ZINC000189573395 333195393 /nfs/dbraw/zinc/19/53/93/333195393.db2.gz FRHIKJWPGNTTFO-UHFFFAOYSA-N 1 2 299.230 3.176 20 30 CGEDLO CC(C)[N@@H+](CCOCC(F)(F)C(F)(F)F)CC(F)F ZINC000189573395 333195395 /nfs/dbraw/zinc/19/53/95/333195395.db2.gz FRHIKJWPGNTTFO-UHFFFAOYSA-N 1 2 299.230 3.176 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000227352660 333281228 /nfs/dbraw/zinc/28/12/28/333281228.db2.gz DPEPFHLLORCVQM-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C=C(C)COCCNc1[nH+]ccc2c(OC)cccc21 ZINC000234911251 333363143 /nfs/dbraw/zinc/36/31/43/333363143.db2.gz HLMAMLLAEIEDSH-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)c(C)s1 ZINC000545926883 334007035 /nfs/dbraw/zinc/00/70/35/334007035.db2.gz FJBNTPFCHIWZFN-UHFFFAOYSA-N 1 2 257.362 3.438 20 30 CGEDLO C=C(CC)C[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000548302569 334149509 /nfs/dbraw/zinc/14/95/09/334149509.db2.gz IILGCULXKHXHTR-MRXNPFEDSA-N 1 2 275.392 3.059 20 30 CGEDLO C=C(CC)C[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000548302569 334149510 /nfs/dbraw/zinc/14/95/10/334149510.db2.gz IILGCULXKHXHTR-MRXNPFEDSA-N 1 2 275.392 3.059 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000576706532 335237718 /nfs/dbraw/zinc/23/77/18/335237718.db2.gz PFKGTNWRWSASSN-HNNXBMFYSA-N 1 2 295.386 3.203 20 30 CGEDLO N#Cc1c(NCCNc2cccc[nH+]2)cccc1C(F)F ZINC000581340407 336052689 /nfs/dbraw/zinc/05/26/89/336052689.db2.gz VYWMBESLVBTEHT-UHFFFAOYSA-N 1 2 288.301 3.415 20 30 CGEDLO Cc1cc(N2CC[C@H](c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425223846 533909791 /nfs/dbraw/zinc/90/97/91/533909791.db2.gz IYSCRFZGCSYJRI-ZDUSSCGKSA-N 1 2 281.334 3.395 20 30 CGEDLO CSc1cc(C)ccc1CNc1cc(C)[nH+]cc1C#N ZINC000425238356 534144322 /nfs/dbraw/zinc/14/43/22/534144322.db2.gz MKGJZTOZLRJCBE-UHFFFAOYSA-N 1 2 283.400 3.326 20 30 CGEDLO C=CCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000175181174 517323279 /nfs/dbraw/zinc/32/32/79/517323279.db2.gz HJIUYFUQRRIMML-UHFFFAOYSA-N 1 2 293.436 3.424 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000330129341 534386017 /nfs/dbraw/zinc/38/60/17/534386017.db2.gz JWYHZNMHJLLXKZ-GWCFXTLKSA-N 1 2 260.337 3.292 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364435776 534774047 /nfs/dbraw/zinc/77/40/47/534774047.db2.gz UBDAHGSZFGEDSH-KRWDZBQOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364435776 534774053 /nfs/dbraw/zinc/77/40/53/534774053.db2.gz UBDAHGSZFGEDSH-KRWDZBQOSA-N 1 2 288.366 3.088 20 30 CGEDLO C=C(C)CCc1noc(CCn2c(C)[nH+]c3ccccc32)n1 ZINC000347264032 526467427 /nfs/dbraw/zinc/46/74/27/526467427.db2.gz NDMWDXQIRXMHCJ-UHFFFAOYSA-N 1 2 296.374 3.479 20 30 CGEDLO C=C[C@H](CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000347947122 527574293 /nfs/dbraw/zinc/57/42/93/527574293.db2.gz ZMDVIRSETZGWCH-GDBMZVCRSA-N 1 2 295.386 3.433 20 30 CGEDLO CCC[N@@H+](CC#N)CC[C@H](C)OCc1ccccc1 ZINC000354916276 527879275 /nfs/dbraw/zinc/87/92/75/527879275.db2.gz LZXRXIFKALQZRP-HNNXBMFYSA-N 1 2 260.381 3.217 20 30 CGEDLO CCC[N@H+](CC#N)CC[C@H](C)OCc1ccccc1 ZINC000354916276 527879280 /nfs/dbraw/zinc/87/92/80/527879280.db2.gz LZXRXIFKALQZRP-HNNXBMFYSA-N 1 2 260.381 3.217 20 30 CGEDLO CCC(CC)[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425250075 528870492 /nfs/dbraw/zinc/87/04/92/528870492.db2.gz VIWFAXOCOXWXMI-NVXWUHKLSA-N 1 2 287.407 3.079 20 30 CGEDLO CC(C)[C@H](C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000347508889 528907132 /nfs/dbraw/zinc/90/71/32/528907132.db2.gz VDFMNVXHHBEJBD-INIZCTEOSA-N 1 2 295.342 3.152 20 30 CGEDLO CC[C@@H](C#N)Oc1cc(CNc2cccc[nH+]2)ccc1OC ZINC000113247991 529270280 /nfs/dbraw/zinc/27/02/80/529270280.db2.gz NVZMDNSCEIYUAT-AWEZNQCLSA-N 1 2 297.358 3.383 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750046958 573077952 /nfs/dbraw/zinc/07/79/52/573077952.db2.gz KKIORRRPCBPBGP-UHFFFAOYSA-N 1 2 279.767 3.422 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727825142 571771356 /nfs/dbraw/zinc/77/13/56/571771356.db2.gz WTYAVKUILZVMJC-ZDUSSCGKSA-N 1 2 292.452 3.309 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727825142 571771360 /nfs/dbraw/zinc/77/13/60/571771360.db2.gz WTYAVKUILZVMJC-ZDUSSCGKSA-N 1 2 292.452 3.309 20 30 CGEDLO Cc1cccn2cc(COC(=O)C3(C#N)CCCCC3)[nH+]c12 ZINC000728333569 571801271 /nfs/dbraw/zinc/80/12/71/571801271.db2.gz JDSHIFWXUWPKRQ-UHFFFAOYSA-N 1 2 297.358 3.160 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(O)cc1 ZINC000730148559 571951918 /nfs/dbraw/zinc/95/19/18/571951918.db2.gz XHOKXOGKQXTMAB-UHFFFAOYSA-N 1 2 277.327 3.198 20 30 CGEDLO C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000738337263 572371878 /nfs/dbraw/zinc/37/18/78/572371878.db2.gz AQBRAXKJQZCKCP-LLVKDONJSA-N 1 2 296.823 3.180 20 30 CGEDLO C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000738337263 572371881 /nfs/dbraw/zinc/37/18/81/572371881.db2.gz AQBRAXKJQZCKCP-LLVKDONJSA-N 1 2 296.823 3.180 20 30 CGEDLO N#Cc1cc(F)ccc1CO[NH+]=C(N)Cc1cccs1 ZINC000731029583 572389983 /nfs/dbraw/zinc/38/99/83/572389983.db2.gz XYKZOSKNFFHANL-UHFFFAOYSA-N 1 2 289.335 3.000 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Br)s1 ZINC000731155337 572398454 /nfs/dbraw/zinc/39/84/54/572398454.db2.gz DQYUTFCSEGFXGE-DAFODLJHSA-N 1 2 283.150 3.130 20 30 CGEDLO O=C1c2c(Cl)ccc(Cl)c2OC/C1=C\c1[nH]cc[nH+]1 ZINC000731159406 572398731 /nfs/dbraw/zinc/39/87/31/572398731.db2.gz QGUPSMNHFKQHKG-FNORWQNLSA-N 1 2 295.125 3.375 20 30 CGEDLO C[C@H]1CC(/[NH+]=C\c2ccc(O)c(O)c2O)C[C@@H](C)C1 ZINC000739426504 572414041 /nfs/dbraw/zinc/41/40/41/572414041.db2.gz MTWNFGHKCIFTFF-VCEZCJHXSA-N 1 2 263.337 3.047 20 30 CGEDLO CCCCCCC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000740876097 572465528 /nfs/dbraw/zinc/46/55/28/572465528.db2.gz NPAGCQRKBTTWDH-CQSZACIVSA-N 1 2 293.411 3.291 20 30 CGEDLO CCCCCCC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000740876097 572465533 /nfs/dbraw/zinc/46/55/33/572465533.db2.gz NPAGCQRKBTTWDH-CQSZACIVSA-N 1 2 293.411 3.291 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C\c2ccccc2O)c1 ZINC000732926395 572494019 /nfs/dbraw/zinc/49/40/19/572494019.db2.gz OJCCCDGWGROZHI-FDIDITGRSA-N 1 2 269.344 3.451 20 30 CGEDLO CC(C)c1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000733308388 572553682 /nfs/dbraw/zinc/55/36/82/572553682.db2.gz ZDCWGNONXYKISR-UHFFFAOYSA-N 1 2 269.348 3.302 20 30 CGEDLO CC(C)c1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000733308388 572553684 /nfs/dbraw/zinc/55/36/84/572553684.db2.gz ZDCWGNONXYKISR-UHFFFAOYSA-N 1 2 269.348 3.302 20 30 CGEDLO Cc1nc(C)c(CO[NH+]=C(N)c2ccc(Cl)cc2)s1 ZINC000742353174 572565489 /nfs/dbraw/zinc/56/54/89/572565489.db2.gz SJXVSLLURJLPQY-UHFFFAOYSA-N 1 2 295.795 3.250 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000742381734 572572450 /nfs/dbraw/zinc/57/24/50/572572450.db2.gz GPOOKLBYOUQBDS-UHFFFAOYSA-N 1 2 276.261 3.265 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H](O)CC(C)(C)C)c(O)c1 ZINC000735228854 572707022 /nfs/dbraw/zinc/70/70/22/572707022.db2.gz JGKHRONSACVVJP-VZWMTCDZSA-N 1 2 279.380 3.007 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1ccccc1Br ZINC000746143143 572857310 /nfs/dbraw/zinc/85/73/10/572857310.db2.gz CKVAQPWULIGXGW-NSHDSACASA-N 1 2 266.182 3.465 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1ccccc1Br ZINC000746143143 572857313 /nfs/dbraw/zinc/85/73/13/572857313.db2.gz CKVAQPWULIGXGW-NSHDSACASA-N 1 2 266.182 3.465 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000746457109 572871574 /nfs/dbraw/zinc/87/15/74/572871574.db2.gz XXENKQHJLYLKML-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000746457109 572871577 /nfs/dbraw/zinc/87/15/77/572871577.db2.gz XXENKQHJLYLKML-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO CCC(CC)[C@@H](CC/[NH+]=C/c1ccc(O)c(O)c1O)OC ZINC000746522538 572876246 /nfs/dbraw/zinc/87/62/46/572876246.db2.gz NLRYUNDAXNCAJB-NGWPFTMJSA-N 1 2 295.379 3.064 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3/COc4ccccc4C3=O)n21 ZINC000748994519 572987861 /nfs/dbraw/zinc/98/78/61/572987861.db2.gz NALWGUUISBHENO-LCYFTJDESA-N 1 2 290.322 3.301 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(F)cc2)n1 ZINC000749155008 572990023 /nfs/dbraw/zinc/99/00/23/572990023.db2.gz KNSLSUQDJQFCOA-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(F)cc2)n1 ZINC000749155008 572990024 /nfs/dbraw/zinc/99/00/24/572990024.db2.gz KNSLSUQDJQFCOA-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC000950605699 613294847 /nfs/dbraw/zinc/29/48/47/613294847.db2.gz UTLNWTAQSKCDIM-INIZCTEOSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964688969 613377529 /nfs/dbraw/zinc/37/75/29/613377529.db2.gz ZIFKXTGBAFKVBY-WFASDCNBSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964688969 613377530 /nfs/dbraw/zinc/37/75/30/613377530.db2.gz ZIFKXTGBAFKVBY-WFASDCNBSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)s1 ZINC000255171998 618033772 /nfs/dbraw/zinc/03/37/72/618033772.db2.gz RPZQNZPDYFLRON-XQRVVYSFSA-N 1 2 279.324 3.164 20 30 CGEDLO CC(C)C[N@H+](Cc1ccccn1)Cc1ccncc1C#N ZINC000932448810 617755273 /nfs/dbraw/zinc/75/52/73/617755273.db2.gz WLLPVKPLBITZRW-UHFFFAOYSA-N 1 2 280.375 3.006 20 30 CGEDLO CC(C)C[N@@H+](Cc1ccccn1)Cc1ccncc1C#N ZINC000932448810 617755283 /nfs/dbraw/zinc/75/52/83/617755283.db2.gz WLLPVKPLBITZRW-UHFFFAOYSA-N 1 2 280.375 3.006 20 30 CGEDLO C=C(C)CC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845864468 618056095 /nfs/dbraw/zinc/05/60/95/618056095.db2.gz JSELAKQWARGIPN-CHWSQXEVSA-N 1 2 250.342 3.122 20 30 CGEDLO CC[C@@H]([NH2+]CCOCC1CCC1)c1cccc(C#N)c1O ZINC000926175760 618232969 /nfs/dbraw/zinc/23/29/69/618232969.db2.gz BMNFXYJOYMYTIO-MRXNPFEDSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(C)nc2c1CCCC2 ZINC000891579022 618239680 /nfs/dbraw/zinc/23/96/80/618239680.db2.gz SVEWPMZNMHUCIC-UHFFFAOYSA-N 1 2 257.381 3.004 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(C)nc2c1CCCC2 ZINC000891579022 618239681 /nfs/dbraw/zinc/23/96/81/618239681.db2.gz SVEWPMZNMHUCIC-UHFFFAOYSA-N 1 2 257.381 3.004 20 30 CGEDLO C[N@H+](Cc1cc(C2CC2)no1)Cc1cc(C#N)cs1 ZINC000933769882 618320676 /nfs/dbraw/zinc/32/06/76/618320676.db2.gz CDVBHZZVUUDQKY-UHFFFAOYSA-N 1 2 273.361 3.117 20 30 CGEDLO C[N@@H+](Cc1cc(C2CC2)no1)Cc1cc(C#N)cs1 ZINC000933769882 618320687 /nfs/dbraw/zinc/32/06/87/618320687.db2.gz CDVBHZZVUUDQKY-UHFFFAOYSA-N 1 2 273.361 3.117 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC000891937196 618395322 /nfs/dbraw/zinc/39/53/22/618395322.db2.gz AVDIAGLLHBQGRF-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC000891937196 618395332 /nfs/dbraw/zinc/39/53/32/618395332.db2.gz AVDIAGLLHBQGRF-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO C#Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000024050912 618396170 /nfs/dbraw/zinc/39/61/70/618396170.db2.gz VLZVHTIFADNTMW-UHFFFAOYSA-N 1 2 287.322 3.106 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCCOC(C)C)c1 ZINC000255616501 618762809 /nfs/dbraw/zinc/76/28/09/618762809.db2.gz PXRFZQVIMGFWOG-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(C#N)c1O ZINC000926747851 618859789 /nfs/dbraw/zinc/85/97/89/618859789.db2.gz PYILAJWDHHTQQW-XJKSGUPXSA-N 1 2 288.391 3.121 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2CC(OCC)C2)c1 ZINC000189648712 619094506 /nfs/dbraw/zinc/09/45/06/619094506.db2.gz XCIMYQSDPIVQER-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894007895 619348322 /nfs/dbraw/zinc/34/83/22/619348322.db2.gz IPJSOQNJJUXNCL-UONOGXRCSA-N 1 2 282.391 3.021 20 30 CGEDLO C[NH+](C)c1ccc(NCc2cc(C#N)cs2)cc1 ZINC000093685731 619460620 /nfs/dbraw/zinc/46/06/20/619460620.db2.gz IXVGBBNFJVILNT-UHFFFAOYSA-N 1 2 257.362 3.298 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000894967513 619688184 /nfs/dbraw/zinc/68/81/84/619688184.db2.gz UCHXVKWHLIEHDE-UHFFFAOYSA-N 1 2 279.727 3.032 20 30 CGEDLO Cc1cnc(Cl)c(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000895140446 619750843 /nfs/dbraw/zinc/75/08/43/619750843.db2.gz FRCKZCYIPDFENI-UHFFFAOYSA-N 1 2 263.772 3.217 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000895345322 619809080 /nfs/dbraw/zinc/80/90/80/619809080.db2.gz ZTQJMPUKDRKRBA-UHFFFAOYSA-N 1 2 254.255 3.109 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)n1 ZINC000895690687 619870879 /nfs/dbraw/zinc/87/08/79/619870879.db2.gz KGGCWOXPKOYHFF-IAGOWNOFSA-N 1 2 281.334 3.068 20 30 CGEDLO C=C1CCC(C(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000896182541 619962395 /nfs/dbraw/zinc/96/23/95/619962395.db2.gz QVJCQTDXBGRBEB-UHFFFAOYSA-N 1 2 287.407 3.136 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505257 620019228 /nfs/dbraw/zinc/01/92/28/620019228.db2.gz MHOTWPCAFMJHDL-AWEZNQCLSA-N 1 2 280.375 3.121 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505257 620019230 /nfs/dbraw/zinc/01/92/30/620019230.db2.gz MHOTWPCAFMJHDL-AWEZNQCLSA-N 1 2 280.375 3.121 20 30 CGEDLO COCC1(CC/[NH+]=C\c2cc(OC)ccc2O)CCC1 ZINC000840708065 620092145 /nfs/dbraw/zinc/09/21/45/620092145.db2.gz ZRWUXPAAWZEURL-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2(COC)CCCC2)c(O)c1 ZINC000840710075 620107803 /nfs/dbraw/zinc/10/78/03/620107803.db2.gz OTLHZUQRUUFOIA-WQRHYEAKSA-N 1 2 291.391 3.417 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc2c(c1)OCO2 ZINC000901418225 620881486 /nfs/dbraw/zinc/88/14/86/620881486.db2.gz ZRWOTXUHIGLNOA-PLNGDYQASA-N 1 2 284.315 3.089 20 30 CGEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]cn2CC)s1 ZINC000901444687 620889418 /nfs/dbraw/zinc/88/94/18/620889418.db2.gz ZYIHZGXNIAWESA-ALCCZGGFSA-N 1 2 260.362 3.423 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2ccc(F)cc2C1=O ZINC000901481007 620892113 /nfs/dbraw/zinc/89/21/13/620892113.db2.gz QTHVWYVIPNWPKI-WUXMJOGZSA-N 1 2 270.307 3.426 20 30 CGEDLO Cc1ccc(C)c2c1CC/C(=C/c1c[nH+]cn1C)C2=O ZINC000901489246 620898836 /nfs/dbraw/zinc/89/88/36/620898836.db2.gz IXWJNAZCMHXDJC-JYRVWZFOSA-N 1 2 266.344 3.249 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2ccc([N+](=O)[O-])cc2C1=O ZINC000901498708 620901952 /nfs/dbraw/zinc/90/19/52/620901952.db2.gz JBOMVZXZOOVVGN-KPKJPENVSA-N 1 2 297.314 3.024 20 30 CGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1cc2c(s1)CCCC2 ZINC000901485355 620909848 /nfs/dbraw/zinc/90/98/48/620909848.db2.gz HPYRKIYWJVVUQI-SREVYHEPSA-N 1 2 272.373 3.257 20 30 CGEDLO Cc1[nH]c(/C=C2\CCOc3cc(C)ccc3C2=O)[nH+]c1C ZINC000901486071 620910382 /nfs/dbraw/zinc/91/03/82/620910382.db2.gz VXZWGVWMZJFGTP-UKTHLTGXSA-N 1 2 282.343 3.384 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc(O)c1O ZINC000901522682 620913166 /nfs/dbraw/zinc/91/31/66/620913166.db2.gz MUIXWJJBNUMGBT-SNAWJCMRSA-N 1 2 286.331 3.080 20 30 CGEDLO Cc1[nH]c(/C=C2/Cc3cccc(C)c3C2=O)[nH+]c1C ZINC000901516276 620923826 /nfs/dbraw/zinc/92/38/26/620923826.db2.gz DOSNKTPLANQDGD-JYRVWZFOSA-N 1 2 252.317 3.157 20 30 CGEDLO C=CCC1(c2nc(-c3c[nH+]c(N)cc3C)no2)CCC1 ZINC000904269202 621895938 /nfs/dbraw/zinc/89/59/38/621895938.db2.gz XMQBGXHHXKTBHA-UHFFFAOYSA-N 1 2 270.336 3.020 20 30 CGEDLO CN(C)c1cc(-c2cc(C#N)cc(N3CCCC3)c2)cc[nH+]1 ZINC000904849882 622007324 /nfs/dbraw/zinc/00/73/24/622007324.db2.gz QINYUJWJBNSJNE-UHFFFAOYSA-N 1 2 292.386 3.286 20 30 CGEDLO C=CC[C@@H]([NH2+]CC(CC)(CC)C(F)(F)F)C(=O)OC ZINC000905776551 622103913 /nfs/dbraw/zinc/10/39/13/622103913.db2.gz FUWSYSABHOFOCJ-SNVBAGLBSA-N 1 2 281.318 3.062 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C(=O)OC ZINC000905764776 622108318 /nfs/dbraw/zinc/10/83/18/622108318.db2.gz UAPYBUFBTIYAHP-IMJJTQAJSA-N 1 2 291.366 3.169 20 30 CGEDLO NC(=[NH+]OCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000029465033 622735908 /nfs/dbraw/zinc/73/59/08/622735908.db2.gz RPQOAXBSOYHSPI-UHFFFAOYSA-N 1 2 278.714 3.316 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3/COc4ccccc4C3=O)n2c1 ZINC000151380335 622777715 /nfs/dbraw/zinc/77/77/15/622777715.db2.gz MVSRGWOSZDCQCA-JYRVWZFOSA-N 1 2 290.322 3.301 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000172580092 623260559 /nfs/dbraw/zinc/26/05/59/623260559.db2.gz YMWXWXWHQTVICQ-UHFFFAOYSA-N 1 2 292.452 3.482 20 30 CGEDLO C=CCCC[N@H+](C)Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000172580092 623260570 /nfs/dbraw/zinc/26/05/70/623260570.db2.gz YMWXWXWHQTVICQ-UHFFFAOYSA-N 1 2 292.452 3.482 20 30 CGEDLO C=CC[N@@H+](C)Cn1ccn(-c2cccc(OC)c2)c1=S ZINC000154999840 624408810 /nfs/dbraw/zinc/40/88/10/624408810.db2.gz DDMQXUNBJAIPEO-UHFFFAOYSA-N 1 2 289.404 3.092 20 30 CGEDLO C=CC[N@H+](C)Cn1ccn(-c2cccc(OC)c2)c1=S ZINC000154999840 624408811 /nfs/dbraw/zinc/40/88/11/624408811.db2.gz DDMQXUNBJAIPEO-UHFFFAOYSA-N 1 2 289.404 3.092 20 30 CGEDLO C#CCC(C)(C)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835280669 634429687 /nfs/dbraw/zinc/42/96/87/634429687.db2.gz RVTLHFJUHCCYHW-UHFFFAOYSA-N 1 2 296.370 3.138 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835298577 634437424 /nfs/dbraw/zinc/43/74/24/634437424.db2.gz PALSJBAKGNYNJV-ZDUSSCGKSA-N 1 2 270.332 3.053 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)CCCC#N)cc2)[nH+]c1C ZINC000921653790 625808856 /nfs/dbraw/zinc/80/88/56/625808856.db2.gz HHXUXDZUUBQVSD-UHFFFAOYSA-N 1 2 282.347 3.326 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000922052452 625967900 /nfs/dbraw/zinc/96/79/00/625967900.db2.gz CHLNTAFGZKEAOD-UWVGGRQHSA-N 1 2 289.408 3.102 20 30 CGEDLO CC(Cc1cccc(F)c1)=[NH+]n1cc(Br)cn1 ZINC000752742362 626437277 /nfs/dbraw/zinc/43/72/77/626437277.db2.gz DIGOQIAUAIWYSM-UHFFFAOYSA-N 1 2 296.143 3.251 20 30 CGEDLO Cc1ccc2cc(C(=O)/C=C/c3[nH]cc[nH+]3)oc2c1 ZINC000754823862 626589029 /nfs/dbraw/zinc/58/90/29/626589029.db2.gz FEUYWSXUBPBISL-SNAWJCMRSA-N 1 2 252.273 3.360 20 30 CGEDLO CC(C)CON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755801674 626646995 /nfs/dbraw/zinc/64/69/95/626646995.db2.gz JXOPFJXZBSLNTH-UHFFFAOYSA-N 1 2 259.353 3.464 20 30 CGEDLO CC(C)(C)OCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000756846035 626737225 /nfs/dbraw/zinc/73/72/25/626737225.db2.gz GEJJTYCAOMTNQM-UHFFFAOYSA-N 1 2 284.787 3.182 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC(C)(C)CCOC)c(O)c1 ZINC000758815390 626860838 /nfs/dbraw/zinc/86/08/38/626860838.db2.gz KVJPMNJPLUNZKK-GZTJUZNOSA-N 1 2 279.380 3.273 20 30 CGEDLO C=C(Br)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000125070181 634564266 /nfs/dbraw/zinc/56/42/66/634564266.db2.gz SZZUQDXKWLLALC-SECBINFHSA-N 1 2 288.160 3.394 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+](CCC#N)CC(C)C)s1 ZINC000768155316 627464450 /nfs/dbraw/zinc/46/44/50/627464450.db2.gz YOKABEZHMZZCLW-UHFFFAOYSA-N 1 2 294.468 3.361 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+](CCC#N)CC(C)C)s1 ZINC000768155316 627464451 /nfs/dbraw/zinc/46/44/51/627464451.db2.gz YOKABEZHMZZCLW-UHFFFAOYSA-N 1 2 294.468 3.361 20 30 CGEDLO C=CCC[C@H](C)OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000772777547 627821143 /nfs/dbraw/zinc/82/11/43/627821143.db2.gz IRYCEEDWUXUXNI-LSDHHAIUSA-N 1 2 287.403 3.331 20 30 CGEDLO C=CCC[C@H](C)OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000772777547 627821145 /nfs/dbraw/zinc/82/11/45/627821145.db2.gz IRYCEEDWUXUXNI-LSDHHAIUSA-N 1 2 287.403 3.331 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000775342671 628084491 /nfs/dbraw/zinc/08/44/91/628084491.db2.gz SGBVIBJSSVVFBX-ZBFHGGJFSA-N 1 2 298.411 3.081 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000775795188 628137223 /nfs/dbraw/zinc/13/72/23/628137223.db2.gz UYPLPFYOKWCZFR-CWRNSKLLSA-N 1 2 296.370 3.173 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cn1cc(C)cnc1=S ZINC000778585569 628359375 /nfs/dbraw/zinc/35/93/75/628359375.db2.gz RWVYBWTTWUUBEO-UHFFFAOYSA-N 1 2 289.404 3.202 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cn1cc(C)cnc1=S ZINC000778585569 628359377 /nfs/dbraw/zinc/35/93/77/628359377.db2.gz RWVYBWTTWUUBEO-UHFFFAOYSA-N 1 2 289.404 3.202 20 30 CGEDLO CCc1cccnc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000779776495 628429369 /nfs/dbraw/zinc/42/93/69/628429369.db2.gz OIDJFJZKZRYOQL-UHFFFAOYSA-N 1 2 290.370 3.450 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c(F)c1 ZINC000781109978 628537324 /nfs/dbraw/zinc/53/73/24/628537324.db2.gz DFEPNSCUCGPOBW-FNORWQNLSA-N 1 2 291.285 3.241 20 30 CGEDLO CN(C)c1cc(CSc2cccc(C#N)c2)cc[nH+]1 ZINC000782111978 628615032 /nfs/dbraw/zinc/61/50/32/628615032.db2.gz OBHWUPATDDTPCF-UHFFFAOYSA-N 1 2 269.373 3.312 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000783684798 628739447 /nfs/dbraw/zinc/73/94/47/628739447.db2.gz JFZYKTVLBPWEJL-RWNNJQNRSA-N 1 2 291.391 3.415 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2cc(C)ccc2F)cn1 ZINC000790166544 629188167 /nfs/dbraw/zinc/18/81/67/629188167.db2.gz KUWDXTBVBKSWEX-UHFFFAOYSA-N 1 2 286.354 3.431 20 30 CGEDLO CC[C@H](C)NN=Cc1ccc(C=[NH+]N[C@@H](C)CC)cc1 ZINC000790181918 629190029 /nfs/dbraw/zinc/19/00/29/629190029.db2.gz ANIILAYXUJHTDP-KBPBESRZSA-N 1 2 274.412 3.131 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000790194345 629193218 /nfs/dbraw/zinc/19/32/18/629193218.db2.gz ZHKSUIKJJRYJLQ-UHFFFAOYSA-N 1 2 293.374 3.186 20 30 CGEDLO CCCCCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791736807 629297769 /nfs/dbraw/zinc/29/77/69/629297769.db2.gz SUGMHLBXZNEXON-UHFFFAOYSA-N 1 2 264.369 3.458 20 30 CGEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccccc1 ZINC000794855875 629589575 /nfs/dbraw/zinc/58/95/75/629589575.db2.gz BYCIQVAWTMGJBA-UHFFFAOYSA-N 1 2 291.358 3.209 20 30 CGEDLO COCCCO[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000795055691 629629379 /nfs/dbraw/zinc/62/93/79/629629379.db2.gz OIMPZJUDAXVHOM-UHFFFAOYSA-N 1 2 291.178 3.353 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCC23CCOCC3)c1 ZINC000864348270 629816236 /nfs/dbraw/zinc/81/62/36/629816236.db2.gz IEYOYRGKFPOIGD-BGARDKSCSA-N 1 2 289.375 3.027 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCC23CCOCC3)c1 ZINC000864348271 629817993 /nfs/dbraw/zinc/81/79/93/629817993.db2.gz IEYOYRGKFPOIGD-DZBQEORWSA-N 1 2 289.375 3.027 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796835657 629844330 /nfs/dbraw/zinc/84/43/30/629844330.db2.gz NHMAJXVUOSBHIY-SECBINFHSA-N 1 2 294.301 3.131 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798086685 630021023 /nfs/dbraw/zinc/02/10/23/630021023.db2.gz UOZYBPIRTWWAKW-ZUZCIYMTSA-N 1 2 299.773 3.256 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865459393 630133420 /nfs/dbraw/zinc/13/34/20/630133420.db2.gz XMPQSCAGXWZZTM-UHFFFAOYSA-N 1 2 283.375 3.073 20 30 CGEDLO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806149973 630549650 /nfs/dbraw/zinc/54/96/50/630549650.db2.gz JEMCJRFNDBRYPT-BXUZGUMPSA-N 1 2 283.799 3.271 20 30 CGEDLO C=CCOCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806158690 630551173 /nfs/dbraw/zinc/55/11/73/630551173.db2.gz PGFKCOWQIBVEIJ-ZDUSSCGKSA-N 1 2 269.772 3.289 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC/C=C\Cl ZINC000811668322 631106928 /nfs/dbraw/zinc/10/69/28/631106928.db2.gz MXMWUNSCOKNEOZ-GFBOTKLASA-N 1 2 264.756 3.147 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(F)cc1 ZINC000812793689 631312060 /nfs/dbraw/zinc/31/20/60/631312060.db2.gz AOEJPTQXOCMQAT-OAHLLOKOSA-N 1 2 279.318 3.166 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)CC(C)(C)C#N)cc(=O)oc2c1 ZINC000814669522 631618907 /nfs/dbraw/zinc/61/89/07/631618907.db2.gz DCKCWOQFXHKVFH-UHFFFAOYSA-N 1 2 284.359 3.083 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)CC(C)(C)C#N)cc(=O)oc2c1 ZINC000814669522 631618913 /nfs/dbraw/zinc/61/89/13/631618913.db2.gz DCKCWOQFXHKVFH-UHFFFAOYSA-N 1 2 284.359 3.083 20 30 CGEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(Cl)cc1Cl ZINC000814750941 631633832 /nfs/dbraw/zinc/63/38/32/631633832.db2.gz DJVPYPIBBSBKBO-UHFFFAOYSA-N 1 2 298.177 3.064 20 30 CGEDLO CC(=[NH+]NCCC(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000814920729 631682638 /nfs/dbraw/zinc/68/26/38/631682638.db2.gz USBPPWSHWTVYKS-UHFFFAOYSA-N 1 2 279.693 3.188 20 30 CGEDLO FC(F)(F)[C@@H]1C=C(NNc2cccc(Cl)[nH+]2)CCO1 ZINC000814939676 631693704 /nfs/dbraw/zinc/69/37/04/631693704.db2.gz YQIWZWPUQZNCCB-QMMMGPOBSA-N 1 2 293.676 3.244 20 30 CGEDLO COc1cccc(/C=N\Cc2cc(C)[nH+]c(C)c2)c1O ZINC000817706895 632201938 /nfs/dbraw/zinc/20/19/38/632201938.db2.gz GCNUSUKTQLIRIR-YVLHZVERSA-N 1 2 270.332 3.032 20 30 CGEDLO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000865814525 632899577 /nfs/dbraw/zinc/89/95/77/632899577.db2.gz JHPWSEDLYOWBMU-UHFFFAOYSA-N 1 2 258.321 3.332 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ccc(F)cc1OCC#N ZINC000822470403 632937375 /nfs/dbraw/zinc/93/73/75/632937375.db2.gz OSNXFHDHBVLZDF-UHFFFAOYSA-N 1 2 288.326 3.118 20 30 CGEDLO COc1cccc2[nH+]c(NCC(C)(C)CCC#N)[nH]c21 ZINC000865892047 632943383 /nfs/dbraw/zinc/94/33/83/632943383.db2.gz WXXSFSBLCABVNO-UHFFFAOYSA-N 1 2 272.352 3.313 20 30 CGEDLO COc1cccc2[nH]c(NCC(C)(C)CCC#N)[nH+]c21 ZINC000865892047 632943385 /nfs/dbraw/zinc/94/33/85/632943385.db2.gz WXXSFSBLCABVNO-UHFFFAOYSA-N 1 2 272.352 3.313 20 30 CGEDLO CCc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cs1 ZINC000866263388 633051339 /nfs/dbraw/zinc/05/13/39/633051339.db2.gz PCCUOTSNYQGNTA-SNVBAGLBSA-N 1 2 287.388 3.134 20 30 CGEDLO CC(C)OCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866335309 633083909 /nfs/dbraw/zinc/08/39/09/633083909.db2.gz ICBPQVOZMMUKMB-CYBMUJFWSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc(C#N)c1O ZINC000866355712 633096662 /nfs/dbraw/zinc/09/66/62/633096662.db2.gz BZSJUVLRRXYYMK-NWDGAFQWSA-N 1 2 276.405 3.058 20 30 CGEDLO C[C@H]([NH2+]C1(C2CCC2)CC1)c1cccc(C#N)c1O ZINC000866383380 633114129 /nfs/dbraw/zinc/11/41/29/633114129.db2.gz KUYVGUFPKNSUTF-NSHDSACASA-N 1 2 256.349 3.247 20 30 CGEDLO C=CCC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC000825438461 633354775 /nfs/dbraw/zinc/35/47/75/633354775.db2.gz ZENLQKNYMCJUPA-UHFFFAOYSA-N 1 2 269.348 3.182 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C#N)cc1F ZINC000828790551 633653785 /nfs/dbraw/zinc/65/37/85/633653785.db2.gz GJKQKLCLGMPLNQ-LLVKDONJSA-N 1 2 257.312 3.042 20 30 CGEDLO C#Cc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000829463463 633737598 /nfs/dbraw/zinc/73/75/98/633737598.db2.gz MAAOZVPRFJEJEC-UHFFFAOYSA-N 1 2 292.386 3.060 20 30 CGEDLO C#Cc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000829463463 633737603 /nfs/dbraw/zinc/73/76/03/633737603.db2.gz MAAOZVPRFJEJEC-UHFFFAOYSA-N 1 2 292.386 3.060 20 30 CGEDLO C=C1CCC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000830985196 633904332 /nfs/dbraw/zinc/90/43/32/633904332.db2.gz LWLVILDTKWSIRA-INIZCTEOSA-N 1 2 289.423 3.333 20 30 CGEDLO C#CCCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000877328048 635027917 /nfs/dbraw/zinc/02/79/17/635027917.db2.gz BRXOMWFJCBHXHF-INIZCTEOSA-N 1 2 282.391 3.067 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(F)cc(F)c1O ZINC000840787761 635053076 /nfs/dbraw/zinc/05/30/76/635053076.db2.gz PMFHQJNNJPQMHX-SECBINFHSA-N 1 2 268.307 3.261 20 30 CGEDLO CC1=C[C@H](C)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877495131 635060130 /nfs/dbraw/zinc/06/01/30/635060130.db2.gz YOQHNIUTVWNEAY-JTQLQIEISA-N 1 2 261.756 3.005 20 30 CGEDLO CC1=C[C@H](C)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877495131 635060135 /nfs/dbraw/zinc/06/01/35/635060135.db2.gz YOQHNIUTVWNEAY-JTQLQIEISA-N 1 2 261.756 3.005 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000877833291 635234454 /nfs/dbraw/zinc/23/44/54/635234454.db2.gz FDULUBGTZIJDNA-AULYBMBSSA-N 1 2 263.768 3.327 20 30 CGEDLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000880000814 635894884 /nfs/dbraw/zinc/89/48/84/635894884.db2.gz NUOFOTTUNAILQX-ZDUSSCGKSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000880000814 635894886 /nfs/dbraw/zinc/89/48/86/635894886.db2.gz NUOFOTTUNAILQX-ZDUSSCGKSA-N 1 2 286.272 3.472 20 30 CGEDLO C=CC[C@H]1CC[C@H]([NH2+]CC(F)(F)Br)C1 ZINC000846058417 636140017 /nfs/dbraw/zinc/14/00/17/636140017.db2.gz OBLWTOTUFNQZIE-IUCAKERBSA-N 1 2 268.145 3.309 20 30 CGEDLO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000846117594 636146817 /nfs/dbraw/zinc/14/68/17/636146817.db2.gz QJRRUSICABXXQW-UHFFFAOYSA-N 1 2 291.398 3.449 20 30 CGEDLO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000846117594 636146819 /nfs/dbraw/zinc/14/68/19/636146819.db2.gz QJRRUSICABXXQW-UHFFFAOYSA-N 1 2 291.398 3.449 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000847022674 636314034 /nfs/dbraw/zinc/31/40/34/636314034.db2.gz ISZLRJGXSQGXIK-GFCCVEGCSA-N 1 2 289.329 3.277 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000847022674 636314037 /nfs/dbraw/zinc/31/40/37/636314037.db2.gz ISZLRJGXSQGXIK-GFCCVEGCSA-N 1 2 289.329 3.277 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000847024887 636315736 /nfs/dbraw/zinc/31/57/36/636315736.db2.gz MBINNAQEAVDUIA-STQMWFEESA-N 1 2 278.421 3.086 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000847024887 636315744 /nfs/dbraw/zinc/31/57/44/636315744.db2.gz MBINNAQEAVDUIA-STQMWFEESA-N 1 2 278.421 3.086 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)C1CCCCCC1 ZINC000848417428 636572498 /nfs/dbraw/zinc/57/24/98/636572498.db2.gz ZGMYLELJNYZOBP-UHFFFAOYSA-N 1 2 262.401 3.209 20 30 CGEDLO CC(C)[C@H]1CCC(N=NCCCn2cc[nH+]c2)C[C@@H]1C ZINC000848419197 636572681 /nfs/dbraw/zinc/57/26/81/636572681.db2.gz VSZKSJKGAXFCGU-GOEBONIOSA-N 1 2 276.428 3.311 20 30 CGEDLO O=C1c2cc(F)cc(F)c2C/C1=C\c1c[nH+]c2ccccn12 ZINC000131194973 636573700 /nfs/dbraw/zinc/57/37/00/636573700.db2.gz BWBXBGOFJLVCOH-BJMVGYQFSA-N 1 2 296.276 3.435 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCCOC(C)(C)C)c1 ZINC000849171808 636763790 /nfs/dbraw/zinc/76/37/90/636763790.db2.gz GINQKLJMSTWEQA-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO C=CCCn1cc(CNc2ccc([NH+]3CCCC3)cc2)nn1 ZINC000850044876 636934294 /nfs/dbraw/zinc/93/42/94/636934294.db2.gz YSHAXEHONJFVDH-UHFFFAOYSA-N 1 2 297.406 3.067 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)Cc1cccc2ccccc21 ZINC000110055192 637444113 /nfs/dbraw/zinc/44/41/13/637444113.db2.gz SHBNNUVYDKMJLM-UHFFFAOYSA-N 1 2 283.371 3.391 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)Cc1cccc2ccccc21 ZINC000110055192 637444118 /nfs/dbraw/zinc/44/41/18/637444118.db2.gz SHBNNUVYDKMJLM-UHFFFAOYSA-N 1 2 283.371 3.391 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886275907 637478825 /nfs/dbraw/zinc/47/88/25/637478825.db2.gz QBGYGQVLOARZPE-LBPRGKRZSA-N 1 2 258.321 3.090 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852319242 637632848 /nfs/dbraw/zinc/63/28/48/637632848.db2.gz IJQCJMYRNXHUMV-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852319242 637632853 /nfs/dbraw/zinc/63/28/53/637632853.db2.gz IJQCJMYRNXHUMV-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCCCF)C1 ZINC000852333759 637636059 /nfs/dbraw/zinc/63/60/59/637636059.db2.gz UOMPZISEYJNAEM-MRXNPFEDSA-N 1 2 275.371 3.079 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCCCF)C1 ZINC000852333759 637636065 /nfs/dbraw/zinc/63/60/65/637636065.db2.gz UOMPZISEYJNAEM-MRXNPFEDSA-N 1 2 275.371 3.079 20 30 CGEDLO CCc1cccc2cc(C=NNCCCn3cc[nH+]c3)oc21 ZINC000853370377 637826801 /nfs/dbraw/zinc/82/68/01/637826801.db2.gz LJTZEWBCQOXRHD-UHFFFAOYSA-N 1 2 296.374 3.206 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(CC)sc1=S ZINC000853597765 637871529 /nfs/dbraw/zinc/87/15/29/637871529.db2.gz FELGBNZDCMEBCV-PHIMTYICSA-N 1 2 281.450 3.377 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(CC)sc1=S ZINC000853597765 637871531 /nfs/dbraw/zinc/87/15/31/637871531.db2.gz FELGBNZDCMEBCV-PHIMTYICSA-N 1 2 281.450 3.377 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1sc2ccccc2c1=O ZINC000853599941 637872147 /nfs/dbraw/zinc/87/21/47/637872147.db2.gz ZISPMDQRAKHNIX-BETUJISGSA-N 1 2 286.400 3.204 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1sc2ccccc2c1=O ZINC000853599941 637872152 /nfs/dbraw/zinc/87/21/52/637872152.db2.gz ZISPMDQRAKHNIX-BETUJISGSA-N 1 2 286.400 3.204 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC1CCC(OC)CC1 ZINC000853682276 637891559 /nfs/dbraw/zinc/89/15/59/637891559.db2.gz PVVXGMTUKRNOHS-UHFFFAOYSA-N 1 2 288.391 3.243 20 30 CGEDLO C=C1CC(c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)C1 ZINC000924122702 638301912 /nfs/dbraw/zinc/30/19/12/638301912.db2.gz SKKIQAHONLCAFL-ZDUSSCGKSA-N 1 2 272.352 3.335 20 30 CGEDLO C[C@@H](NCC1(C#N)CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000926712950 638802493 /nfs/dbraw/zinc/80/24/93/638802493.db2.gz UCJUIJSGSRBEOJ-CQSZACIVSA-N 1 2 286.423 3.344 20 30 CGEDLO Cc1ccc([C@H]([NH2+]CC2(C#N)CC2)c2cccnc2)cc1 ZINC000926872868 638819673 /nfs/dbraw/zinc/81/96/73/638819673.db2.gz CFEJDDVDDNNSAG-KRWDZBQOSA-N 1 2 277.371 3.373 20 30 CGEDLO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(C#N)ccn1 ZINC000926919595 638825616 /nfs/dbraw/zinc/82/56/16/638825616.db2.gz PHINOXBQVGKKEK-NSHDSACASA-N 1 2 298.415 3.139 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934513054 639623224 /nfs/dbraw/zinc/62/32/24/639623224.db2.gz GCAPXPSLMZZZED-MRXNPFEDSA-N 1 2 284.403 3.038 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934513054 639623228 /nfs/dbraw/zinc/62/32/28/639623228.db2.gz GCAPXPSLMZZZED-MRXNPFEDSA-N 1 2 284.403 3.038 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000934510677 639623401 /nfs/dbraw/zinc/62/34/01/639623401.db2.gz BUKOEUAUPATHRD-AWEZNQCLSA-N 1 2 272.373 3.391 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000934510677 639623409 /nfs/dbraw/zinc/62/34/09/639623409.db2.gz BUKOEUAUPATHRD-AWEZNQCLSA-N 1 2 272.373 3.391 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007398447 640941711 /nfs/dbraw/zinc/94/17/11/640941711.db2.gz COCFGNDVHWTBJL-HOCLYGCPSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007398447 640941716 /nfs/dbraw/zinc/94/17/16/640941716.db2.gz COCFGNDVHWTBJL-HOCLYGCPSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008576903 640952114 /nfs/dbraw/zinc/95/21/14/640952114.db2.gz YUUNIQUEQGOCCI-QLFBSQMISA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008576903 640952118 /nfs/dbraw/zinc/95/21/18/640952118.db2.gz YUUNIQUEQGOCCI-QLFBSQMISA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497933 640972167 /nfs/dbraw/zinc/97/21/67/640972167.db2.gz XYJYRGIQDUKCCC-BFHYXJOUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497933 640972171 /nfs/dbraw/zinc/97/21/71/640972171.db2.gz XYJYRGIQDUKCCC-BFHYXJOUSA-N 1 2 298.858 3.002 20 30 CGEDLO CC(C)(Nc1cc(CC#N)cc[nH+]1)c1ccc(C#N)cc1 ZINC001156430825 805691416 /nfs/dbraw/zinc/69/14/16/805691416.db2.gz OUIAEYFIDBGHRQ-UHFFFAOYSA-N 1 2 276.343 3.367 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc(O)c(O)c3)c2c1 ZINC001158996175 806029575 /nfs/dbraw/zinc/02/95/75/806029575.db2.gz YQUPHDMVDYSOIC-UHFFFAOYSA-N 1 2 291.310 3.130 20 30 CGEDLO COc1cc(C)c[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001159084046 806040634 /nfs/dbraw/zinc/04/06/34/806040634.db2.gz BBMXYQYTIVWNLV-UHFFFAOYSA-N 1 2 271.295 3.022 20 30 CGEDLO CCOc1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC001159179801 806056628 /nfs/dbraw/zinc/05/66/28/806056628.db2.gz FGJQYLXNXHYXAR-UHFFFAOYSA-N 1 2 259.334 3.026 20 30 CGEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001252557376 806062934 /nfs/dbraw/zinc/06/29/34/806062934.db2.gz LRKQBIUBPQQACX-HUUCEWRRSA-N 1 2 281.346 3.048 20 30 CGEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001252557376 806062943 /nfs/dbraw/zinc/06/29/43/806062943.db2.gz LRKQBIUBPQQACX-HUUCEWRRSA-N 1 2 281.346 3.048 20 30 CGEDLO C=CCCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001159262282 806068518 /nfs/dbraw/zinc/06/85/18/806068518.db2.gz KVANZYLYSJLLJN-UHFFFAOYSA-N 1 2 252.321 3.489 20 30 CGEDLO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC001252982480 806145856 /nfs/dbraw/zinc/14/58/56/806145856.db2.gz FJFCDAUUMXLTPM-INIZCTEOSA-N 1 2 281.444 3.391 20 30 CGEDLO C=CCOC(=O)c1ccccc1Nc1ccc(NC)[nH+]c1 ZINC001159790076 806172856 /nfs/dbraw/zinc/17/28/56/806172856.db2.gz NMDVQQZHWFCNGV-UHFFFAOYSA-N 1 2 283.331 3.210 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3ccc(C#N)cn3)c[nH+]c12 ZINC001160683613 806296652 /nfs/dbraw/zinc/29/66/52/806296652.db2.gz PRKJUBHFFRPHPB-LBPRGKRZSA-N 1 2 277.331 3.083 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OC1CCOCC1 ZINC001255159575 806558811 /nfs/dbraw/zinc/55/88/11/806558811.db2.gz YGNQOAFPYPSGAN-HNNXBMFYSA-N 1 2 288.391 3.026 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC001255165435 806563791 /nfs/dbraw/zinc/56/37/91/806563791.db2.gz XIMPCBLNLRWEFE-MRXNPFEDSA-N 1 2 271.408 3.118 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001255177533 806570959 /nfs/dbraw/zinc/57/09/59/806570959.db2.gz UIBNSQHFTRIHRJ-AWEZNQCLSA-N 1 2 282.387 3.299 20 30 CGEDLO O=C1c2cc(F)ccc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000176411793 799096962 /nfs/dbraw/zinc/09/69/62/799096962.db2.gz BOLAWJIQKLFNOU-XYOKQWHBSA-N 1 2 278.286 3.296 20 30 CGEDLO CCc1cc(NCc2ccc(C#N)s2)nc(CC)[nH+]1 ZINC001163530549 806777353 /nfs/dbraw/zinc/77/73/53/806777353.db2.gz JPNWJZHGAHFMEE-UHFFFAOYSA-N 1 2 272.377 3.147 20 30 CGEDLO COc1ccc([NH2+][C@H](C)CC(C)(C)C#N)c(OC)c1 ZINC000695836900 799834901 /nfs/dbraw/zinc/83/49/01/799834901.db2.gz ORGFQVXMSNWGDJ-LLVKDONJSA-N 1 2 262.353 3.444 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000710135175 800029625 /nfs/dbraw/zinc/02/96/25/800029625.db2.gz DOLMMXQIFNCDDN-UHFFFAOYSA-N 1 2 268.364 3.001 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000710135175 800029634 /nfs/dbraw/zinc/02/96/34/800029634.db2.gz DOLMMXQIFNCDDN-UHFFFAOYSA-N 1 2 268.364 3.001 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711434401 800057880 /nfs/dbraw/zinc/05/78/80/800057880.db2.gz FTZATNMLUOSQHO-JTQLQIEISA-N 1 2 297.171 3.112 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711434401 800057884 /nfs/dbraw/zinc/05/78/84/800057884.db2.gz FTZATNMLUOSQHO-JTQLQIEISA-N 1 2 297.171 3.112 20 30 CGEDLO CC1(C)CCC[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000714361726 800121151 /nfs/dbraw/zinc/12/11/51/800121151.db2.gz FWDXHXXXXCUEGM-OAHLLOKOSA-N 1 2 270.376 3.222 20 30 CGEDLO CC1(C)CCC[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000714361726 800121154 /nfs/dbraw/zinc/12/11/54/800121154.db2.gz FWDXHXXXXCUEGM-OAHLLOKOSA-N 1 2 270.376 3.222 20 30 CGEDLO Cc1cc(C)[nH+]c(CN2Cc3cccc(C#N)c3C2)c1 ZINC000723622476 800331534 /nfs/dbraw/zinc/33/15/34/800331534.db2.gz WGUNCKGAGYDXBJ-UHFFFAOYSA-N 1 2 263.344 3.086 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001032089186 800918484 /nfs/dbraw/zinc/91/84/84/800918484.db2.gz IOROVLGMPKFAPQ-LSDHHAIUSA-N 1 2 298.858 3.003 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001044339164 801234485 /nfs/dbraw/zinc/23/44/85/801234485.db2.gz JAUOIAZGJBYYQS-AWEZNQCLSA-N 1 2 286.419 3.142 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595145 801315799 /nfs/dbraw/zinc/31/57/99/801315799.db2.gz WXFUVKLSDSSORB-MRXNPFEDSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595145 801315807 /nfs/dbraw/zinc/31/58/07/801315807.db2.gz WXFUVKLSDSSORB-MRXNPFEDSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080396072 801652929 /nfs/dbraw/zinc/65/29/29/801652929.db2.gz XOLKIXXZPYQPRA-KWCYVHTRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080396072 801652933 /nfs/dbraw/zinc/65/29/33/801652933.db2.gz XOLKIXXZPYQPRA-KWCYVHTRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001095124374 801879806 /nfs/dbraw/zinc/87/98/06/801879806.db2.gz ACHAORZABLTEGQ-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001095124374 801879809 /nfs/dbraw/zinc/87/98/09/801879809.db2.gz ACHAORZABLTEGQ-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001109896745 802127849 /nfs/dbraw/zinc/12/78/49/802127849.db2.gz XMJHZQMEFJQMEU-XGUBFFRZSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001109896745 802127856 /nfs/dbraw/zinc/12/78/56/802127856.db2.gz XMJHZQMEFJQMEU-XGUBFFRZSA-N 1 2 298.858 3.287 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)CCCCCC)CC1 ZINC001113190416 802202309 /nfs/dbraw/zinc/20/23/09/802202309.db2.gz KIKUPXHJBCOQOJ-MRXNPFEDSA-N 1 2 280.456 3.313 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCc2ccc(N(C)C)cc2)c1 ZINC001115939043 802288551 /nfs/dbraw/zinc/28/85/51/802288551.db2.gz HNEQSWZSYOATKU-UYRXBGFRSA-N 1 2 298.386 3.128 20 30 CGEDLO N#Cc1cccc(Nc2ccc(N)[nH+]c2)c1Br ZINC001201291669 811808627 /nfs/dbraw/zinc/80/86/27/811808627.db2.gz MJLJHZQSAKHOJN-UHFFFAOYSA-N 1 2 289.136 3.042 20 30 CGEDLO Cn1ccc2c[nH+]c(-c3cccc(C4(C#N)CC4)c3)nc21 ZINC001244070616 803170010 /nfs/dbraw/zinc/17/00/10/803170010.db2.gz VDQWMPKVULQMBA-UHFFFAOYSA-N 1 2 274.327 3.190 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131834134 803349866 /nfs/dbraw/zinc/34/98/66/803349866.db2.gz JYJGRULTDNQFON-OCCSQVGLSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131834134 803349873 /nfs/dbraw/zinc/34/98/73/803349873.db2.gz JYJGRULTDNQFON-OCCSQVGLSA-N 1 2 286.847 3.144 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1O ZINC001138122474 803861459 /nfs/dbraw/zinc/86/14/59/803861459.db2.gz HLIYBYJHCFOOHO-UHFFFAOYSA-N 1 2 284.334 3.447 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1O ZINC001138122474 803861471 /nfs/dbraw/zinc/86/14/71/803861471.db2.gz HLIYBYJHCFOOHO-UHFFFAOYSA-N 1 2 284.334 3.447 20 30 CGEDLO CCCN(CCC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138564043 803968259 /nfs/dbraw/zinc/96/82/59/803968259.db2.gz VLUHDAADKIOUGG-UHFFFAOYSA-N 1 2 282.391 3.057 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001138666308 803999369 /nfs/dbraw/zinc/99/93/69/803999369.db2.gz QADWAWDTEAYHQN-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001138666308 803999375 /nfs/dbraw/zinc/99/93/75/803999375.db2.gz QADWAWDTEAYHQN-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337691 804418786 /nfs/dbraw/zinc/41/87/86/804418786.db2.gz ZMOKJRNVVUKWAC-ZDUSSCGKSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140337691 804418787 /nfs/dbraw/zinc/41/87/87/804418787.db2.gz ZMOKJRNVVUKWAC-ZDUSSCGKSA-N 1 2 269.373 3.156 20 30 CGEDLO CCCCCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246594897 804435735 /nfs/dbraw/zinc/43/57/35/804435735.db2.gz SHALPCBEBHWAMG-HOTGVXAUSA-N 1 2 265.445 3.313 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140584205 804468202 /nfs/dbraw/zinc/46/82/02/804468202.db2.gz IYZMTVHKJFMTOI-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1c(O)cc(F)cc1F ZINC001140584205 804468203 /nfs/dbraw/zinc/46/82/03/804468203.db2.gz IYZMTVHKJFMTOI-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001141972935 804683417 /nfs/dbraw/zinc/68/34/17/804683417.db2.gz WBCKDPFRFDFSGF-OAHLLOKOSA-N 1 2 297.423 3.369 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001141972935 804683421 /nfs/dbraw/zinc/68/34/21/804683421.db2.gz WBCKDPFRFDFSGF-OAHLLOKOSA-N 1 2 297.423 3.369 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2[nH]cnc21 ZINC001142672485 804754114 /nfs/dbraw/zinc/75/41/14/804754114.db2.gz AUKINZQXYNICAB-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2[nH]cnc21 ZINC001142672485 804754118 /nfs/dbraw/zinc/75/41/18/804754118.db2.gz AUKINZQXYNICAB-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC(F)(F)CC2)c1F ZINC001143165094 804813983 /nfs/dbraw/zinc/81/39/83/804813983.db2.gz VAFGZNSRXVHLFU-UHFFFAOYSA-N 1 2 286.272 3.458 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC(F)(F)CC2)c1F ZINC001143165094 804813992 /nfs/dbraw/zinc/81/39/92/804813992.db2.gz VAFGZNSRXVHLFU-UHFFFAOYSA-N 1 2 286.272 3.458 20 30 CGEDLO CCCO[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724461 804887709 /nfs/dbraw/zinc/88/77/09/804887709.db2.gz XLFSCLHTTVRWPT-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724461 804887715 /nfs/dbraw/zinc/88/77/15/804887715.db2.gz XLFSCLHTTVRWPT-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001143726113 804889243 /nfs/dbraw/zinc/88/92/43/804889243.db2.gz GWPIBGJXKOVCFT-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143726113 804889250 /nfs/dbraw/zinc/88/92/50/804889250.db2.gz GWPIBGJXKOVCFT-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001143761717 804892974 /nfs/dbraw/zinc/89/29/74/804892974.db2.gz RQWYWWADEBKORF-CQSZACIVSA-N 1 2 295.354 3.047 20 30 CGEDLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001143761717 804892981 /nfs/dbraw/zinc/89/29/81/804892981.db2.gz RQWYWWADEBKORF-CQSZACIVSA-N 1 2 295.354 3.047 20 30 CGEDLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143943200 804912547 /nfs/dbraw/zinc/91/25/47/804912547.db2.gz TTZHZMXOJJXLQM-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143943200 804912550 /nfs/dbraw/zinc/91/25/50/804912550.db2.gz TTZHZMXOJJXLQM-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144730000 805043878 /nfs/dbraw/zinc/04/38/78/805043878.db2.gz WSSYNUYPTNNXOS-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144730000 805043888 /nfs/dbraw/zinc/04/38/88/805043888.db2.gz WSSYNUYPTNNXOS-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO Cc1ccc(C#N)c(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC001249900857 805291049 /nfs/dbraw/zinc/29/10/49/805291049.db2.gz ISMHDFMUNRZCBY-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO N#Cc1ccc(Cc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001250052057 805392785 /nfs/dbraw/zinc/39/27/85/805392785.db2.gz OPZSTPHIWAVDRK-UHFFFAOYSA-N 1 2 277.249 3.145 20 30 CGEDLO CN(Cc1ccc(Cl)cc1)c1cc(CC#N)cc[nH+]1 ZINC001166676476 807079542 /nfs/dbraw/zinc/07/95/42/807079542.db2.gz KWKOXYNDOBLQDT-UHFFFAOYSA-N 1 2 271.751 3.437 20 30 CGEDLO N#CC[C@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001166740989 807089992 /nfs/dbraw/zinc/08/99/92/807089992.db2.gz WLXJXHDHLIRJFN-CYBMUJFWSA-N 1 2 276.343 3.237 20 30 CGEDLO N#Cc1cccc(SCc2ccc[nH+]c2N)c1Cl ZINC001166872161 807110034 /nfs/dbraw/zinc/11/00/34/807110034.db2.gz CWPZJLQTEFQYPG-UHFFFAOYSA-N 1 2 275.764 3.481 20 30 CGEDLO Cn1c[nH+]c2ccc(NCc3ccccc3C#N)cc21 ZINC001167636065 807221879 /nfs/dbraw/zinc/22/18/79/807221879.db2.gz VYGWQOUHXIPQOU-UHFFFAOYSA-N 1 2 262.316 3.057 20 30 CGEDLO C=C(C)C(=O)NCCCNc1[nH+]cccc1-c1ccccc1 ZINC001167666255 807224956 /nfs/dbraw/zinc/22/49/56/807224956.db2.gz CGZJEKHKWRZSDO-UHFFFAOYSA-N 1 2 295.386 3.243 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@H](CCSC)C(C)(C)O ZINC001168214313 807351148 /nfs/dbraw/zinc/35/11/48/807351148.db2.gz SRKQEUXPHFFSTR-CQSZACIVSA-N 1 2 294.464 3.423 20 30 CGEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCCCCC#N ZINC001168429351 807412861 /nfs/dbraw/zinc/41/28/61/807412861.db2.gz PUBSRAQNWHVYJF-UHFFFAOYSA-N 1 2 289.379 3.072 20 30 CGEDLO Cc1cc(NC=CC(=O)C(F)(F)F)ccc1[NH+](C)C ZINC001169480233 807649583 /nfs/dbraw/zinc/64/95/83/807649583.db2.gz BWBXOIILHNQCKM-VOTSOKGWSA-N 1 2 272.270 3.118 20 30 CGEDLO N#CC12CCC(Nc3[nH+]cnc4[nH]cc(F)c43)(CC1)CC2 ZINC001169743576 807701937 /nfs/dbraw/zinc/70/19/37/807701937.db2.gz KLIZYPRFUAJACZ-UHFFFAOYSA-N 1 2 285.326 3.125 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C(=O)OCC ZINC001261256174 807723211 /nfs/dbraw/zinc/72/32/11/807723211.db2.gz ZLYBHRIJVLAVPC-ABAIWWIYSA-N 1 2 297.345 3.166 20 30 CGEDLO C=CCCC1(CNC(=O)[C@H](C)n2cc[nH+]c2)CCCC1 ZINC001261749412 807781556 /nfs/dbraw/zinc/78/15/56/807781556.db2.gz GVACDQKIGAHTTN-AWEZNQCLSA-N 1 2 275.396 3.087 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC001170180048 807787164 /nfs/dbraw/zinc/78/71/64/807787164.db2.gz ZJBXGKOFUHBRJE-HOTGVXAUSA-N 1 2 299.455 3.437 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001265312917 808129911 /nfs/dbraw/zinc/12/99/11/808129911.db2.gz XJDAHGMCVVGTLZ-JSGCOSHPSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001265312917 808129914 /nfs/dbraw/zinc/12/99/14/808129914.db2.gz XJDAHGMCVVGTLZ-JSGCOSHPSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(CC)CC ZINC001266494885 808275614 /nfs/dbraw/zinc/27/56/14/808275614.db2.gz CECWGYYPGHKNIA-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(CC)CC ZINC001266494885 808275621 /nfs/dbraw/zinc/27/56/21/808275621.db2.gz CECWGYYPGHKNIA-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C#Cc1cc(Nc2ccc3c(c2)CCC(C)(C)O3)cc[nH+]1 ZINC001213011778 815198592 /nfs/dbraw/zinc/19/85/92/815198592.db2.gz ISLHRBVXJFRXDG-UHFFFAOYSA-N 1 2 278.355 3.332 20 30 CGEDLO CCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001172508740 808365132 /nfs/dbraw/zinc/36/51/32/808365132.db2.gz NLMVAUVSBNKLAT-CVEARBPZSA-N 1 2 265.445 3.313 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001267277283 808402219 /nfs/dbraw/zinc/40/22/19/808402219.db2.gz VLPONDFDVCRULL-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001267277283 808402224 /nfs/dbraw/zinc/40/22/24/808402224.db2.gz VLPONDFDVCRULL-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO N#CC1([NH2+]C2CCC3(CCOCC3)CC2)CCCC1 ZINC001173041851 808498702 /nfs/dbraw/zinc/49/87/02/808498702.db2.gz LYXVGTSZHJSXEY-UHFFFAOYSA-N 1 2 262.397 3.152 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1ccc(CC)cc1)C(=O)OC ZINC001173253937 808561367 /nfs/dbraw/zinc/56/13/67/808561367.db2.gz YMQMSTSQSASQKE-RDTXWAMCSA-N 1 2 289.419 3.277 20 30 CGEDLO Cc1ncc(C#N)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087768 815230457 /nfs/dbraw/zinc/23/04/57/815230457.db2.gz ZLEHVCLYSMOINL-UHFFFAOYSA-N 1 2 275.315 3.395 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001276002574 808983183 /nfs/dbraw/zinc/98/31/83/808983183.db2.gz LWZPWBIDTJYZMB-VQCLRJIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001276002574 808983188 /nfs/dbraw/zinc/98/31/88/808983188.db2.gz LWZPWBIDTJYZMB-VQCLRJIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001282740061 809261656 /nfs/dbraw/zinc/26/16/56/809261656.db2.gz LGQZLQHKUQZFAQ-STQMWFEESA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cc(C)c(-n2ccc3c2cc(C#N)cc3N)c[nH+]1 ZINC001213518316 815296520 /nfs/dbraw/zinc/29/65/20/815296520.db2.gz HLEGGWJYKWWOKY-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO C=C[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC001299356813 809548804 /nfs/dbraw/zinc/54/88/04/809548804.db2.gz XJFZQRDDYQHRHT-QGZVFWFLSA-N 1 2 280.371 3.284 20 30 CGEDLO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001176546621 809714999 /nfs/dbraw/zinc/71/49/99/809714999.db2.gz VZVTUWIBLAYOGG-HOCLYGCPSA-N 1 2 289.419 3.494 20 30 CGEDLO COc1cc(Nc2ccc(F)c(C#N)c2)cc(C)[nH+]1 ZINC001176612644 809730108 /nfs/dbraw/zinc/73/01/08/809730108.db2.gz HSAFEBHWDRSCAW-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO Cc1cn2c(cccc2NC(=O)Nc2ccc(C#N)cc2)[nH+]1 ZINC001184708407 810215940 /nfs/dbraw/zinc/21/59/40/810215940.db2.gz SKOAQWWCOZXFRQ-UHFFFAOYSA-N 1 2 291.314 3.158 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968958 810226004 /nfs/dbraw/zinc/22/60/04/810226004.db2.gz RGSQFNINUZQMCP-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO CCCCCCCNC(=O)Nc1cccc2[nH+]ccn21 ZINC001191081681 810671768 /nfs/dbraw/zinc/67/17/68/810671768.db2.gz XGSFMBWTAMTGNN-UHFFFAOYSA-N 1 2 274.368 3.426 20 30 CGEDLO CCCCCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001191084129 810673327 /nfs/dbraw/zinc/67/33/27/810673327.db2.gz FKNFRUHGDFDXJP-UHFFFAOYSA-N 1 2 274.368 3.426 20 30 CGEDLO Cc1noc([C@@H]([NH2+]Cc2ccc(C)c(C#N)c2)C(C)C)n1 ZINC001198871900 811550434 /nfs/dbraw/zinc/55/04/34/811550434.db2.gz DBICRGORCBSZBW-HNNXBMFYSA-N 1 2 284.363 3.045 20 30 CGEDLO COc1ccc(Nc2cccc3[nH+]c(C)cn32)cc1C#N ZINC001214993403 815473738 /nfs/dbraw/zinc/47/37/38/815473738.db2.gz DTJHBEJAWQPYLZ-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO CCOc1cc(Nc2ccc(OC)c(C#N)c2)cc(C)[nH+]1 ZINC001214996598 815473759 /nfs/dbraw/zinc/47/37/59/815473759.db2.gz DVWURNONHKQCJM-UHFFFAOYSA-N 1 2 283.331 3.413 20 30 CGEDLO COc1cc(NC=Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC001203303016 812305032 /nfs/dbraw/zinc/30/50/32/812305032.db2.gz IOIUPMVJDVTJJV-BQYQJAHWSA-N 1 2 265.316 3.353 20 30 CGEDLO CNc1ccc(Nc2cc(Cl)cc(C#N)c2)c[nH+]1 ZINC001203459206 812367287 /nfs/dbraw/zinc/36/72/87/812367287.db2.gz ZZSDCWLQOAQNEA-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCCC)c(F)c2F)cc[nH+]1 ZINC001203692105 812429150 /nfs/dbraw/zinc/42/91/50/812429150.db2.gz SKFCTPNOFRVBEX-UHFFFAOYSA-N 1 2 288.297 3.295 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1c(C)cc(C#N)cc1C ZINC001215646818 815551647 /nfs/dbraw/zinc/55/16/47/815551647.db2.gz IAFOGPYPIVJKNN-UHFFFAOYSA-N 1 2 276.343 3.405 20 30 CGEDLO COc1ccc(CC[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC001207472115 813571432 /nfs/dbraw/zinc/57/14/32/813571432.db2.gz FRXIQWVOYXMFJK-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO COc1ccc(CC[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC001207472115 813571438 /nfs/dbraw/zinc/57/14/38/813571438.db2.gz FRXIQWVOYXMFJK-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO Cc1cc(Cl)ncc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001209631815 814101755 /nfs/dbraw/zinc/10/17/55/814101755.db2.gz QMCDMAFPGHPWSZ-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1cc(Cl)ncc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001209631815 814101761 /nfs/dbraw/zinc/10/17/61/814101761.db2.gz QMCDMAFPGHPWSZ-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1cc(Cl)ncc1C[NH+]1CCC(C)(C#N)CC1 ZINC001209635666 814104084 /nfs/dbraw/zinc/10/40/84/814104084.db2.gz JMAPTRISDMAEBT-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1cc(Nc2ccc(O)cc2C#N)ccc1[NH+](C)C ZINC001210042736 814260674 /nfs/dbraw/zinc/26/06/74/814260674.db2.gz BSOCDECMSUWODQ-UHFFFAOYSA-N 1 2 267.332 3.382 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1C1=CC(=O)C[C@@H](C)C1 ZINC001242742917 823119048 /nfs/dbraw/zinc/11/90/48/823119048.db2.gz CYPMGPYVXKXRFO-LBPRGKRZSA-N 1 2 282.343 3.263 20 30 CGEDLO Cc1cn2c(cccc2Nc2ccc(F)cc2C#N)[nH+]1 ZINC001210550960 814521411 /nfs/dbraw/zinc/52/14/11/814521411.db2.gz CMRZTIZKOUWYLM-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO C[C@@H]1CC(=O)C=C(Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210770941 814617180 /nfs/dbraw/zinc/61/71/80/814617180.db2.gz RBDFKVIDOITNHX-LBPRGKRZSA-N 1 2 267.332 3.167 20 30 CGEDLO Cc1ccc(Nc2cccc(C#CC(C)(C)O)c2)[nH+]c1 ZINC001211012889 814707824 /nfs/dbraw/zinc/70/78/24/814707824.db2.gz SACHICRNRWGCJM-UHFFFAOYSA-N 1 2 266.344 3.256 20 30 CGEDLO CCCCCCCCCC[C@@H](C)OC[C@H]([NH3+])C(=O)OC ZINC001217891897 815991561 /nfs/dbraw/zinc/99/15/61/815991561.db2.gz BZZNYCIKVPGXCM-CABCVRRESA-N 1 2 287.444 3.423 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221993763 816339406 /nfs/dbraw/zinc/33/94/06/816339406.db2.gz XTBPJNJOFANHBT-HUUCEWRRSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221993763 816339411 /nfs/dbraw/zinc/33/94/11/816339411.db2.gz XTBPJNJOFANHBT-HUUCEWRRSA-N 1 2 298.858 3.242 20 30 CGEDLO C=CCn1cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cn1 ZINC001222409404 816437519 /nfs/dbraw/zinc/43/75/19/816437519.db2.gz YWYPLUCHTNZTPD-UHFFFAOYSA-N 1 2 268.295 3.061 20 30 CGEDLO Cc1cc(CO[C@@H](C#N)c2ccccc2)cc(C)[nH+]1 ZINC001223421745 816626220 /nfs/dbraw/zinc/62/62/20/816626220.db2.gz QOBATYBYKVBAGN-INIZCTEOSA-N 1 2 252.317 3.480 20 30 CGEDLO Cc1ccc(C#N)cc1OC1C[NH+](Cc2ccccc2)C1 ZINC001226874630 817492046 /nfs/dbraw/zinc/49/20/46/817492046.db2.gz OPWCAUIKKJUGEZ-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO Cc1cc[nH+]c(C)c1O[C@H](C#N)c1cccc(F)c1 ZINC001227262670 817612281 /nfs/dbraw/zinc/61/22/81/817612281.db2.gz UTASSCDMSBHMFH-CQSZACIVSA-N 1 2 256.280 3.481 20 30 CGEDLO C=CCOc1cccc(C[N@H+](CCC)CC(=O)OCC)c1 ZINC001231624818 818140947 /nfs/dbraw/zinc/14/09/47/818140947.db2.gz XGRSJKPKKOTNPQ-UHFFFAOYSA-N 1 2 291.391 3.027 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](CCC)CC(=O)OCC)c1 ZINC001231624818 818140949 /nfs/dbraw/zinc/14/09/49/818140949.db2.gz XGRSJKPKKOTNPQ-UHFFFAOYSA-N 1 2 291.391 3.027 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231909657 818209869 /nfs/dbraw/zinc/20/98/69/818209869.db2.gz HBZXWOLIMVANFU-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001231909657 818209875 /nfs/dbraw/zinc/20/98/75/818209875.db2.gz HBZXWOLIMVANFU-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cccc(Br)c1N ZINC001232524731 818378973 /nfs/dbraw/zinc/37/89/73/818378973.db2.gz CHQRFQZZDTUGAI-UHFFFAOYSA-N 1 2 296.212 3.157 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cccc(Br)c1N ZINC001232524731 818378966 /nfs/dbraw/zinc/37/89/66/818378966.db2.gz CHQRFQZZDTUGAI-UHFFFAOYSA-N 1 2 296.212 3.157 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1nc3ccccc3o1)C2 ZINC001232555329 818384490 /nfs/dbraw/zinc/38/44/90/818384490.db2.gz QBQBMIWHQXXRQZ-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1nc3ccccc3o1)C2 ZINC001232555329 818384492 /nfs/dbraw/zinc/38/44/92/818384492.db2.gz QBQBMIWHQXXRQZ-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001232679230 818416747 /nfs/dbraw/zinc/41/67/47/818416747.db2.gz HLGMTOQNRVGQQT-CQSZACIVSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001232679230 818416751 /nfs/dbraw/zinc/41/67/51/818416751.db2.gz HLGMTOQNRVGQQT-CQSZACIVSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001232678876 818417228 /nfs/dbraw/zinc/41/72/28/818417228.db2.gz SIQXOXKVQFTOHB-HIFRSBDPSA-N 1 2 256.349 3.028 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001232678876 818417234 /nfs/dbraw/zinc/41/72/34/818417234.db2.gz SIQXOXKVQFTOHB-HIFRSBDPSA-N 1 2 256.349 3.028 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001232677279 818417442 /nfs/dbraw/zinc/41/74/42/818417442.db2.gz DQNIFIJTPUMBBE-OAHLLOKOSA-N 1 2 288.366 3.368 20 30 CGEDLO C[N@H+](CCCc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232676880 818417578 /nfs/dbraw/zinc/41/75/78/818417578.db2.gz UFRZVNAKGJSGRP-UHFFFAOYSA-N 1 2 280.371 3.328 20 30 CGEDLO C[N@@H+](CCCc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232676880 818417580 /nfs/dbraw/zinc/41/75/80/818417580.db2.gz UFRZVNAKGJSGRP-UHFFFAOYSA-N 1 2 280.371 3.328 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)ccc1Br ZINC001232898569 818468067 /nfs/dbraw/zinc/46/80/67/818468067.db2.gz XPVTVOLPEPYVNY-RISCZKNCSA-N 1 2 291.192 3.305 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)ccc1Br ZINC001232898569 818468073 /nfs/dbraw/zinc/46/80/73/818468073.db2.gz XPVTVOLPEPYVNY-RISCZKNCSA-N 1 2 291.192 3.305 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC(F)F)nc1 ZINC001232954880 818482076 /nfs/dbraw/zinc/48/20/76/818482076.db2.gz QMFLAOGLILTGAM-UHFFFAOYSA-N 1 2 283.322 3.199 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)nc1 ZINC001232954880 818482080 /nfs/dbraw/zinc/48/20/80/818482080.db2.gz QMFLAOGLILTGAM-UHFFFAOYSA-N 1 2 283.322 3.199 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001233020929 818501949 /nfs/dbraw/zinc/50/19/49/818501949.db2.gz WKOTXDNXGKSXNW-GFCCVEGCSA-N 1 2 292.404 3.050 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001233020929 818501952 /nfs/dbraw/zinc/50/19/52/818501952.db2.gz WKOTXDNXGKSXNW-GFCCVEGCSA-N 1 2 292.404 3.050 20 30 CGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC001233044016 818509056 /nfs/dbraw/zinc/50/90/56/818509056.db2.gz JPGSXABEPQSXFU-UHFFFAOYSA-N 1 2 283.350 3.405 20 30 CGEDLO Cc1cccc(OC2CC[NH+](Cc3[nH]ccc3C#N)CC2)c1 ZINC001233048118 818511619 /nfs/dbraw/zinc/51/16/19/818511619.db2.gz WJQSLEQOMKHHCC-UHFFFAOYSA-N 1 2 295.386 3.238 20 30 CGEDLO CCOC(=[NH2+])c1ccc(O[C@@H]2CC[C@H](C#N)C2)cc1 ZINC001234584225 818886468 /nfs/dbraw/zinc/88/64/68/818886468.db2.gz BDCPMGIAPHGNAL-SMDDNHRTSA-N 1 2 258.321 3.120 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(F)c(OC)c1 ZINC001235448516 819101459 /nfs/dbraw/zinc/10/14/59/819101459.db2.gz KFXUEGLTBCBCFH-UHFFFAOYSA-N 1 2 282.334 3.489 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(F)c(OC)c1 ZINC001235448516 819101462 /nfs/dbraw/zinc/10/14/62/819101462.db2.gz KFXUEGLTBCBCFH-UHFFFAOYSA-N 1 2 282.334 3.489 20 30 CGEDLO C=CC[N@@H+](C)Cc1c(F)c(Br)ccc1OC ZINC001235484447 819108633 /nfs/dbraw/zinc/10/86/33/819108633.db2.gz SOCYJRLYQCTOQE-UHFFFAOYSA-N 1 2 288.160 3.215 20 30 CGEDLO C=CC[N@H+](C)Cc1c(F)c(Br)ccc1OC ZINC001235484447 819108639 /nfs/dbraw/zinc/10/86/39/819108639.db2.gz SOCYJRLYQCTOQE-UHFFFAOYSA-N 1 2 288.160 3.215 20 30 CGEDLO Cc1nc(F)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001235814476 819174443 /nfs/dbraw/zinc/17/44/43/819174443.db2.gz FLQZYIHFOHMUML-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO Cc1nc(F)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001235814476 819174445 /nfs/dbraw/zinc/17/44/45/819174445.db2.gz FLQZYIHFOHMUML-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(F)cc1F ZINC001236833681 819613736 /nfs/dbraw/zinc/61/37/36/819613736.db2.gz GXQQPSGYCXETOS-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)cc1F ZINC001237526290 819772484 /nfs/dbraw/zinc/77/24/84/819772484.db2.gz ARGJCDPGLVJVDA-OJNYZHBWSA-N 1 2 287.313 3.103 20 30 CGEDLO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)cc1F ZINC001237526290 819772487 /nfs/dbraw/zinc/77/24/87/819772487.db2.gz ARGJCDPGLVJVDA-OJNYZHBWSA-N 1 2 287.313 3.103 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237549037 819778270 /nfs/dbraw/zinc/77/82/70/819778270.db2.gz GYSVEDZGGPFRIS-GOSISDBHSA-N 1 2 277.371 3.484 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237549037 819778274 /nfs/dbraw/zinc/77/82/74/819778274.db2.gz GYSVEDZGGPFRIS-GOSISDBHSA-N 1 2 277.371 3.484 20 30 CGEDLO C[N@H+](Cc1cncs1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198167 819954360 /nfs/dbraw/zinc/95/43/60/819954360.db2.gz HWUKAQNZFXQDSH-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cncs1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198167 819954366 /nfs/dbraw/zinc/95/43/66/819954366.db2.gz HWUKAQNZFXQDSH-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO CSc1ccc(Cl)cc1C[NH+]1CC(CC#N)C1 ZINC001238673489 820074814 /nfs/dbraw/zinc/07/48/14/820074814.db2.gz ZSCNUBZJXPIUKH-UHFFFAOYSA-N 1 2 266.797 3.407 20 30 CGEDLO Cc1c(-c2ccc(OCC#N)cc2)ccc2[nH+]ccn21 ZINC001243591530 823459356 /nfs/dbraw/zinc/45/93/56/823459356.db2.gz JIPZOCDBAIVJMQ-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO N#CCc1cccnc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243657275 823476724 /nfs/dbraw/zinc/47/67/24/823476724.db2.gz OPEXCUNADHCIBA-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO N#Cc1cc(C(F)(F)F)cc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214030 820882745 /nfs/dbraw/zinc/88/27/45/820882745.db2.gz JZRAVXFEAUYRNA-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#CCc1cccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001240217692 820888985 /nfs/dbraw/zinc/88/89/85/820888985.db2.gz LZJFOHLEZMVAQA-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO CO/N=C/c1cc(-c2ccc3[nH+]ccn3c2)cc(F)c1F ZINC001240221671 820899766 /nfs/dbraw/zinc/89/97/66/820899766.db2.gz PDYZSMNCEIZCCN-UFWORHAWSA-N 1 2 287.269 3.260 20 30 CGEDLO COc1ccc(-c2ccn3cc[nH+]c3c2)cc1CC#N ZINC001240508836 821103481 /nfs/dbraw/zinc/10/34/81/821103481.db2.gz LTCINOPPXJBWSN-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO COc1cc(C#N)ccc1-c1cccc2[nH+]c(C)cn21 ZINC001241402173 821799181 /nfs/dbraw/zinc/79/91/81/821799181.db2.gz KPMPGAQKZAHLNW-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001340973321 936421776 /nfs/dbraw/zinc/42/17/76/936421776.db2.gz QDGONDAKPMDIMM-INIZCTEOSA-N 1 2 287.407 3.339 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC001341690766 936447760 /nfs/dbraw/zinc/44/77/60/936447760.db2.gz XLALMFJBJGSNNA-MRXNPFEDSA-N 1 2 287.407 3.339 20 30 CGEDLO CCc1ccc(N2CCO[C@H](c3ccc(C#N)cc3)C2)[nH+]c1 ZINC001348336935 936917973 /nfs/dbraw/zinc/91/79/73/936917973.db2.gz NBMXZSPBFATYAL-KRWDZBQOSA-N 1 2 293.370 3.094 20 30 CGEDLO C=C(CC(C)C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001348441311 936921800 /nfs/dbraw/zinc/92/18/00/936921800.db2.gz ZIDMSKADTCPKSB-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO C(=[NH+]N[C@H]1CCCSC1)c1ccc(N2CCCCC2)o1 ZINC001349854292 936966182 /nfs/dbraw/zinc/96/61/82/936966182.db2.gz MYCUXOQEIOMSFT-ZDUSSCGKSA-N 1 2 293.436 3.089 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1csc(C#N)c1 ZINC001352017401 937032170 /nfs/dbraw/zinc/03/21/70/937032170.db2.gz UYGUNQWPYNVCME-GFCCVEGCSA-N 1 2 284.384 3.403 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1csc(C#N)c1 ZINC001352017401 937032173 /nfs/dbraw/zinc/03/21/73/937032173.db2.gz UYGUNQWPYNVCME-GFCCVEGCSA-N 1 2 284.384 3.403 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1CCCCCCC1 ZINC001480889532 926746531 /nfs/dbraw/zinc/74/65/31/926746531.db2.gz XDELECPZAYSWDA-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1CCCCCCC1 ZINC001480889532 926746542 /nfs/dbraw/zinc/74/65/42/926746542.db2.gz XDELECPZAYSWDA-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001481394334 926976757 /nfs/dbraw/zinc/97/67/57/926976757.db2.gz IXYYMLACEZIQKR-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001481394334 926976764 /nfs/dbraw/zinc/97/67/64/926976764.db2.gz IXYYMLACEZIQKR-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001355481148 937141841 /nfs/dbraw/zinc/14/18/41/937141841.db2.gz ATISLCDVPNESOU-UHFFFAOYSA-N 1 2 255.321 3.023 20 30 CGEDLO C#CCCCCCC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001460085709 937514539 /nfs/dbraw/zinc/51/45/39/937514539.db2.gz RGEDWQGBQMWKPX-UHFFFAOYSA-N 1 2 298.430 3.227 20 30 CGEDLO C#CCCCCCC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC001460085709 937514541 /nfs/dbraw/zinc/51/45/41/937514541.db2.gz RGEDWQGBQMWKPX-UHFFFAOYSA-N 1 2 298.430 3.227 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c[nH+]1 ZINC001211329340 932012272 /nfs/dbraw/zinc/01/22/72/932012272.db2.gz XVTDFZAIXPWYIR-UHFFFAOYSA-N 1 2 297.318 3.061 20 30 CGEDLO C#C[C@H]1CCC[C@@H]1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954495 932510095 /nfs/dbraw/zinc/51/00/95/932510095.db2.gz PTJBBNBJRPMVBA-BBRMVZONSA-N 1 2 252.317 3.053 20 30 CGEDLO C=C[C@H](C#CC(C)(C)C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921141 932642609 /nfs/dbraw/zinc/64/26/09/932642609.db2.gz DXRPUAPZYPFCQH-OAHLLOKOSA-N 1 2 283.371 3.350 20 30 CGEDLO CN1CCN(CC#Cc2ccccc2Cl)c2ccc[nH+]c21 ZINC001307649659 932980973 /nfs/dbraw/zinc/98/09/73/932980973.db2.gz GYUFOCCRMYWMOD-UHFFFAOYSA-N 1 2 297.789 3.043 20 30 CGEDLO C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001307985318 933031269 /nfs/dbraw/zinc/03/12/69/933031269.db2.gz VZVTUWIBLAYOGG-GDBMZVCRSA-N 1 2 289.419 3.494 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(OC)cc(F)cc1OC ZINC001308647358 933149313 /nfs/dbraw/zinc/14/93/13/933149313.db2.gz LNXBLNXRIWGJLJ-UHFFFAOYSA-N 1 2 265.328 3.017 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CC(c2ccc(F)cc2)C1 ZINC001308806934 933180606 /nfs/dbraw/zinc/18/06/06/933180606.db2.gz KQUYFHVKQQTFRX-UHFFFAOYSA-N 1 2 284.309 3.436 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001317754647 933643751 /nfs/dbraw/zinc/64/37/51/933643751.db2.gz PHOXDEFRCJNPBA-TZWLIRKLSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001317754647 933643755 /nfs/dbraw/zinc/64/37/55/933643755.db2.gz PHOXDEFRCJNPBA-TZWLIRKLSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@H](CC)c1ccccc1)C(=O)OCC ZINC001320908454 934120506 /nfs/dbraw/zinc/12/05/06/934120506.db2.gz ZRDWLFIODHDNJU-GOEBONIOSA-N 1 2 275.392 3.278 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCCC3(CCCC3)C2)c1=S ZINC001321635955 934199351 /nfs/dbraw/zinc/19/93/51/934199351.db2.gz OKWDFCAHQPVWEN-UHFFFAOYSA-N 1 2 292.452 3.214 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCCC3(CCCC3)C2)c1=S ZINC001321635955 934199355 /nfs/dbraw/zinc/19/93/55/934199355.db2.gz OKWDFCAHQPVWEN-UHFFFAOYSA-N 1 2 292.452 3.214 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](CCC)C2)c1=S ZINC001323774249 934423538 /nfs/dbraw/zinc/42/35/38/934423538.db2.gz ZWZYWUCBUQQSIB-CYBMUJFWSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](CCC)C2)c1=S ZINC001323774249 934423542 /nfs/dbraw/zinc/42/35/42/934423542.db2.gz ZWZYWUCBUQQSIB-CYBMUJFWSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001326382221 934976275 /nfs/dbraw/zinc/97/62/75/934976275.db2.gz PYZPDZVJZHOEMU-IUODEOHRSA-N 1 2 279.355 3.027 20 30 CGEDLO COc1ccc(C)cc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001326689238 934999385 /nfs/dbraw/zinc/99/93/85/934999385.db2.gz DWHJTPZCZIKLBR-HJWRWDBZSA-N 1 2 296.370 3.361 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716812 935080729 /nfs/dbraw/zinc/08/07/29/935080729.db2.gz QENZVUMGYGAHPE-ZFWWWQNUSA-N 1 2 299.374 3.075 20 30 CGEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716812 935080734 /nfs/dbraw/zinc/08/07/34/935080734.db2.gz QENZVUMGYGAHPE-ZFWWWQNUSA-N 1 2 299.374 3.075 20 30 CGEDLO CC(=[NH+]NCc1ccc(F)cc1)c1cc(N)ccc1F ZINC001327803441 935085523 /nfs/dbraw/zinc/08/55/23/935085523.db2.gz ZVXGQYVKXZRGHH-UHFFFAOYSA-N 1 2 275.302 3.061 20 30 CGEDLO COc1cc(C)[nH+]c(CN2CCCc3c(C#N)cccc32)c1 ZINC001328190967 935123651 /nfs/dbraw/zinc/12/36/51/935123651.db2.gz XBTJTVKXCABDPT-UHFFFAOYSA-N 1 2 293.370 3.223 20 30 CGEDLO Cn1ncc(C[N@H+](CCC#N)CC(C)(C)C)c1C1CC1 ZINC001336686329 936206283 /nfs/dbraw/zinc/20/62/83/936206283.db2.gz OOYINUXWRUBDOU-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO Cn1ncc(C[N@@H+](CCC#N)CC(C)(C)C)c1C1CC1 ZINC001336686329 936206287 /nfs/dbraw/zinc/20/62/87/936206287.db2.gz OOYINUXWRUBDOU-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO C=CCn1cnn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC001337298979 936249428 /nfs/dbraw/zinc/24/94/28/936249428.db2.gz VIYKPJRFNSDKOL-UHFFFAOYSA-N 1 2 280.441 3.068 20 30 CGEDLO C=CCn1cnn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC001337298979 936249430 /nfs/dbraw/zinc/24/94/30/936249430.db2.gz VIYKPJRFNSDKOL-UHFFFAOYSA-N 1 2 280.441 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@](C)(F)CCCC ZINC001496729661 937963772 /nfs/dbraw/zinc/96/37/72/937963772.db2.gz PDHAEPXJKVOELG-AWEZNQCLSA-N 1 2 292.826 3.048 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@](C)(F)CCCC ZINC001496729661 937963773 /nfs/dbraw/zinc/96/37/73/937963773.db2.gz PDHAEPXJKVOELG-AWEZNQCLSA-N 1 2 292.826 3.048 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001506744724 937991694 /nfs/dbraw/zinc/99/16/94/937991694.db2.gz APFOMWYMXFSNMW-CJNGLKHVSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001506744724 937991695 /nfs/dbraw/zinc/99/16/95/937991695.db2.gz APFOMWYMXFSNMW-CJNGLKHVSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC001527625808 938062534 /nfs/dbraw/zinc/06/25/34/938062534.db2.gz MLYYRLDWPGPJJE-KRWDZBQOSA-N 1 2 295.386 3.016 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(C#N)s2)c(C)[nH+]1 ZINC001535175147 938099368 /nfs/dbraw/zinc/09/93/68/938099368.db2.gz YIEZIYDPZXCPDI-UHFFFAOYSA-N 1 2 271.345 3.192 20 30 CGEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1Cl ZINC001559863344 938237449 /nfs/dbraw/zinc/23/74/49/938237449.db2.gz XGDLZWPWTQKNRW-NSHDSACASA-N 1 2 271.751 3.457 20 30 CGEDLO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC001560235840 938248421 /nfs/dbraw/zinc/24/84/21/938248421.db2.gz XCHBBNLLCRKPLT-MRXNPFEDSA-N 1 2 290.382 3.334 20 30 CGEDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC001560235840 938248422 /nfs/dbraw/zinc/24/84/22/938248422.db2.gz XCHBBNLLCRKPLT-MRXNPFEDSA-N 1 2 290.382 3.334 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001567305859 961271328 /nfs/dbraw/zinc/27/13/28/961271328.db2.gz QLDSCVWLQFNPEY-ZIAGYGMSSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001567305859 961271345 /nfs/dbraw/zinc/27/13/45/961271345.db2.gz QLDSCVWLQFNPEY-ZIAGYGMSSA-N 1 2 298.858 3.003 20 30 CGEDLO C=CCCCC(=O)NC1C[NH+](Cc2cc(C)sc2C)C1 ZINC001567805305 961435424 /nfs/dbraw/zinc/43/54/24/961435424.db2.gz VKCSDQWUBNSXAM-UHFFFAOYSA-N 1 2 292.448 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001570745942 962078685 /nfs/dbraw/zinc/07/86/85/962078685.db2.gz OCPZIFICPSAVAM-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001570745942 962078703 /nfs/dbraw/zinc/07/87/03/962078703.db2.gz OCPZIFICPSAVAM-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO Cc1cc(NC(=O)C2(C#N)CCCC2)ccc1-n1cc[nH+]c1 ZINC001584948551 962964292 /nfs/dbraw/zinc/96/42/92/962964292.db2.gz PVCQJKHTUVDFPY-UHFFFAOYSA-N 1 2 294.358 3.203 20 30 CGEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC000592058066 346958191 /nfs/dbraw/zinc/95/81/91/346958191.db2.gz PSKBLKFRJIMCLX-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000592058066 346958193 /nfs/dbraw/zinc/95/81/93/346958193.db2.gz PSKBLKFRJIMCLX-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+](Cc2ccncc2C#N)C2CC2)cc1 ZINC000592058167 346958246 /nfs/dbraw/zinc/95/82/46/346958246.db2.gz BMLZDFIKIJZLOV-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccc(C[N@@H+](Cc2ccncc2C#N)C2CC2)cc1 ZINC000592058167 346958248 /nfs/dbraw/zinc/95/82/48/346958248.db2.gz BMLZDFIKIJZLOV-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000592068599 346959207 /nfs/dbraw/zinc/95/92/07/346959207.db2.gz FRDHWNZFDUHVOH-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000592068599 346959212 /nfs/dbraw/zinc/95/92/12/346959212.db2.gz FRDHWNZFDUHVOH-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592082533 346961374 /nfs/dbraw/zinc/96/13/74/346961374.db2.gz LZBPDILVVUIVDP-GFCCVEGCSA-N 1 2 267.332 3.272 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592082533 346961377 /nfs/dbraw/zinc/96/13/77/346961377.db2.gz LZBPDILVVUIVDP-GFCCVEGCSA-N 1 2 267.332 3.272 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@H](CC)CO1 ZINC000593059662 347033313 /nfs/dbraw/zinc/03/33/13/347033313.db2.gz RXJKDDMNJULWLB-ZIAGYGMSSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@H](CC)CO1 ZINC000593059662 347033317 /nfs/dbraw/zinc/03/33/17/347033317.db2.gz RXJKDDMNJULWLB-ZIAGYGMSSA-N 1 2 276.355 3.087 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000052916850 260212542 /nfs/dbraw/zinc/21/25/42/260212542.db2.gz MVEWQFCTMRNESM-UHFFFAOYSA-N 1 2 257.381 3.022 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000052916850 260212544 /nfs/dbraw/zinc/21/25/44/260212544.db2.gz MVEWQFCTMRNESM-UHFFFAOYSA-N 1 2 257.381 3.022 20 30 CGEDLO COc1ccc([C@@H]([NH2+]CCC#N)c2ccccc2)cc1 ZINC000037373581 344950158 /nfs/dbraw/zinc/95/01/58/344950158.db2.gz DTRWLXOZLXDUIP-KRWDZBQOSA-N 1 2 266.344 3.288 20 30 CGEDLO N#Cc1ccc(N2CCC[C@H](Nc3cccc[nH+]3)C2)c(F)c1 ZINC000068769039 345362123 /nfs/dbraw/zinc/36/21/23/345362123.db2.gz WYYDITSTDPBHGL-AWEZNQCLSA-N 1 2 296.349 3.173 20 30 CGEDLO C=C(C)CN(CC)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000073557017 345446456 /nfs/dbraw/zinc/44/64/56/345446456.db2.gz YWVYPFSAZNCPRY-JXMROGBWSA-N 1 2 295.386 3.310 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000128061487 232190550 /nfs/dbraw/zinc/19/05/50/232190550.db2.gz RXCSMOKJNHPOSC-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000128061487 232190553 /nfs/dbraw/zinc/19/05/53/232190553.db2.gz RXCSMOKJNHPOSC-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C=CC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000111693278 345950948 /nfs/dbraw/zinc/95/09/48/345950948.db2.gz ZHHWSTJAMXNLGP-UHFFFAOYSA-N 1 2 269.348 3.135 20 30 CGEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000273283100 192099365 /nfs/dbraw/zinc/09/93/65/192099365.db2.gz JHERASPQXLBCLH-LLVKDONJSA-N 1 2 260.312 3.031 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(-c3ccccn3)n2)CCCC1 ZINC000593649966 347099328 /nfs/dbraw/zinc/09/93/28/347099328.db2.gz ONSCNMIZZPFLMY-UHFFFAOYSA-N 1 2 298.415 3.379 20 30 CGEDLO N#CC1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CCCC1 ZINC000593652812 347099501 /nfs/dbraw/zinc/09/95/01/347099501.db2.gz PCOYJZZSSTVTLI-UHFFFAOYSA-N 1 2 288.782 3.161 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H](CC)CO1 ZINC000403861242 346598331 /nfs/dbraw/zinc/59/83/31/346598331.db2.gz ZJNRQRLUSYVCNV-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H](CC)CO1 ZINC000403861242 346598332 /nfs/dbraw/zinc/59/83/32/346598332.db2.gz ZJNRQRLUSYVCNV-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Br)o2)CCCC1 ZINC000405173978 346602296 /nfs/dbraw/zinc/60/22/96/346602296.db2.gz PODFRSOHMJOAFJ-UHFFFAOYSA-N 1 2 283.169 3.216 20 30 CGEDLO COc1cc[nH+]cc1NCc1ccc(N(C)CCC#N)cc1 ZINC000119148227 370648455 /nfs/dbraw/zinc/64/84/55/370648455.db2.gz UCBFFESMSXVEML-UHFFFAOYSA-N 1 2 296.374 3.052 20 30 CGEDLO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccn1 ZINC000589311360 346793535 /nfs/dbraw/zinc/79/35/35/346793535.db2.gz TWAYMGYYBNMXMM-GFCCVEGCSA-N 1 2 272.377 3.041 20 30 CGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000589510455 346798751 /nfs/dbraw/zinc/79/87/51/346798751.db2.gz FBQDHQKZEUJVSS-RKDXNWHRSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nc(C#N)cs1 ZINC000589510455 346798752 /nfs/dbraw/zinc/79/87/52/346798752.db2.gz FBQDHQKZEUJVSS-RKDXNWHRSA-N 1 2 289.326 3.178 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028422 347139303 /nfs/dbraw/zinc/13/93/03/347139303.db2.gz PXQPMOPPTABTOQ-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc(C)cc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028422 347139307 /nfs/dbraw/zinc/13/93/07/347139307.db2.gz PXQPMOPPTABTOQ-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC000594611293 347202789 /nfs/dbraw/zinc/20/27/89/347202789.db2.gz ILWSMXDOMHFFNH-AWEZNQCLSA-N 1 2 286.354 3.102 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1oc2ccccc2c1Br ZINC000594613542 347204092 /nfs/dbraw/zinc/20/40/92/347204092.db2.gz VEEVLXJTEWSQJD-SECBINFHSA-N 1 2 293.164 3.445 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCCC#N ZINC000594352153 347171036 /nfs/dbraw/zinc/17/10/36/347171036.db2.gz QBKAPMWYEKYOPE-UHFFFAOYSA-N 1 2 282.347 3.408 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594520074 347188947 /nfs/dbraw/zinc/18/89/47/347188947.db2.gz YGZAPABIJDDKHL-LBPRGKRZSA-N 1 2 280.375 3.320 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000594994244 347250951 /nfs/dbraw/zinc/25/09/51/347250951.db2.gz IRYZBZFAISLYMB-UHFFFAOYSA-N 1 2 279.365 3.220 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595344522 347295191 /nfs/dbraw/zinc/29/51/91/347295191.db2.gz VCCNSXOWNZMPRI-OAGGEKHMSA-N 1 2 269.392 3.233 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595344522 347295193 /nfs/dbraw/zinc/29/51/93/347295193.db2.gz VCCNSXOWNZMPRI-OAGGEKHMSA-N 1 2 269.392 3.233 20 30 CGEDLO CC[N@H+](CC#Cc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595606360 347325858 /nfs/dbraw/zinc/32/58/58/347325858.db2.gz OIKAFYQNBZHKMK-OAHLLOKOSA-N 1 2 287.403 3.090 20 30 CGEDLO CC[N@@H+](CC#Cc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000595606360 347325862 /nfs/dbraw/zinc/32/58/62/347325862.db2.gz OIKAFYQNBZHKMK-OAHLLOKOSA-N 1 2 287.403 3.090 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000595609568 347326168 /nfs/dbraw/zinc/32/61/68/347326168.db2.gz MILJMOYLSKKEIC-LBPRGKRZSA-N 1 2 271.320 3.060 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000595609568 347326170 /nfs/dbraw/zinc/32/61/70/347326170.db2.gz MILJMOYLSKKEIC-LBPRGKRZSA-N 1 2 271.320 3.060 20 30 CGEDLO C=CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595454929 347306008 /nfs/dbraw/zinc/30/60/08/347306008.db2.gz LSEZRKQZFWLNEN-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C=CCC[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595454929 347306013 /nfs/dbraw/zinc/30/60/13/347306013.db2.gz LSEZRKQZFWLNEN-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838339 347364684 /nfs/dbraw/zinc/36/46/84/347364684.db2.gz ALOGJQFIZZLKQO-IINYFYTJSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838339 347364686 /nfs/dbraw/zinc/36/46/86/347364686.db2.gz ALOGJQFIZZLKQO-IINYFYTJSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000595840829 347365568 /nfs/dbraw/zinc/36/55/68/347365568.db2.gz GGAJDMGFVSFWEE-CQSZACIVSA-N 1 2 282.359 3.292 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000595840829 347365569 /nfs/dbraw/zinc/36/55/69/347365569.db2.gz GGAJDMGFVSFWEE-CQSZACIVSA-N 1 2 282.359 3.292 20 30 CGEDLO COc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1Cl ZINC000595841087 347365806 /nfs/dbraw/zinc/36/58/06/347365806.db2.gz HNUSBKMPQPNXHA-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1Cl ZINC000595841087 347365809 /nfs/dbraw/zinc/36/58/09/347365809.db2.gz HNUSBKMPQPNXHA-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000595923252 347372443 /nfs/dbraw/zinc/37/24/43/347372443.db2.gz WWBBATCHZIAMQM-MLGOLLRUSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000595923252 347372447 /nfs/dbraw/zinc/37/24/47/347372447.db2.gz WWBBATCHZIAMQM-MLGOLLRUSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1ccc2[nH+]ccc(N3CC[C@@](C)(C#N)C3)c2c1 ZINC000596531069 347475287 /nfs/dbraw/zinc/47/52/87/347475287.db2.gz HWXBORXJOBKEBI-INIZCTEOSA-N 1 2 251.333 3.283 20 30 CGEDLO N#CCC1C[NH+](Cc2cscc2C(F)(F)F)C1 ZINC000597202859 347553723 /nfs/dbraw/zinc/55/37/23/347553723.db2.gz DDKHPZPIDUCNFP-UHFFFAOYSA-N 1 2 260.284 3.112 20 30 CGEDLO N#CCC1C[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000597204169 347554284 /nfs/dbraw/zinc/55/42/84/347554284.db2.gz RYYIGBNHUNDWKB-UHFFFAOYSA-N 1 2 271.751 3.234 20 30 CGEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)cc(Cl)c1OC ZINC000597191245 347547575 /nfs/dbraw/zinc/54/75/75/347547575.db2.gz CYXYXVGXDMLHKZ-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO Cc1cccn2c(NC(=O)[C@@]3(C#N)CC34CCCC4)c[nH+]c12 ZINC000598263450 347638201 /nfs/dbraw/zinc/63/82/01/347638201.db2.gz TXOZAGRFXJDRAZ-KRWDZBQOSA-N 1 2 294.358 3.055 20 30 CGEDLO CCOc1cncc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000598670363 347676814 /nfs/dbraw/zinc/67/68/14/347676814.db2.gz MGLCBUNTZJDLGW-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCOc1cncc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000598670363 347676816 /nfs/dbraw/zinc/67/68/16/347676816.db2.gz MGLCBUNTZJDLGW-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO N#Cc1ccc(NC[C@H]2CCC[N@H+]2CC(F)F)cc1Cl ZINC000599133197 347719626 /nfs/dbraw/zinc/71/96/26/347719626.db2.gz DSSJHTWKVIOXKK-GFCCVEGCSA-N 1 2 299.752 3.353 20 30 CGEDLO N#Cc1ccc(NC[C@H]2CCC[N@@H+]2CC(F)F)cc1Cl ZINC000599133197 347719628 /nfs/dbraw/zinc/71/96/28/347719628.db2.gz DSSJHTWKVIOXKK-GFCCVEGCSA-N 1 2 299.752 3.353 20 30 CGEDLO CC1(C#N)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599066856 347713516 /nfs/dbraw/zinc/71/35/16/347713516.db2.gz WXIGFNPCTGLXQV-UHFFFAOYSA-N 1 2 296.330 3.273 20 30 CGEDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)c1 ZINC000599100170 347716920 /nfs/dbraw/zinc/71/69/20/347716920.db2.gz KKWQDTJKAIJUEW-GFCCVEGCSA-N 1 2 298.777 3.304 20 30 CGEDLO Cc1[nH]c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)[nH+]c1C ZINC000600119719 347781727 /nfs/dbraw/zinc/78/17/27/347781727.db2.gz BGFNKUCXZHQGQI-SJORKVTESA-N 1 2 294.402 3.298 20 30 CGEDLO C[C@@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@@H](C)C1(F)F ZINC000599514819 347750030 /nfs/dbraw/zinc/75/00/30/347750030.db2.gz KXNVRWDDRAYGHO-GHMZBOCLSA-N 1 2 282.309 3.420 20 30 CGEDLO N#Cc1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)s1 ZINC000600778481 347834052 /nfs/dbraw/zinc/83/40/52/347834052.db2.gz ZSBFNLUTQPUQDP-KBPBESRZSA-N 1 2 299.399 3.397 20 30 CGEDLO CC[C@H](CO)Nc1ccc(-c2ccc(C)c(C#N)c2)c[nH+]1 ZINC000600793826 347837424 /nfs/dbraw/zinc/83/74/24/347837424.db2.gz PJNYIBGJGHESOC-MRXNPFEDSA-N 1 2 281.359 3.112 20 30 CGEDLO CC(C)c1nc2[nH]ccc2c(NCC(C)(C)CCC#N)[nH+]1 ZINC000601164563 347876841 /nfs/dbraw/zinc/87/68/41/347876841.db2.gz YMWRQDZKSHXBOD-UHFFFAOYSA-N 1 2 285.395 3.245 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(F)F)nc1)C[C@@H](C)C#N ZINC000602448501 347960199 /nfs/dbraw/zinc/96/01/99/347960199.db2.gz VKWSKBVGYATTQS-JTQLQIEISA-N 1 2 253.296 3.001 20 30 CGEDLO CC[N@H+](Cc1ccc(C(F)F)nc1)C[C@@H](C)C#N ZINC000602448501 347960200 /nfs/dbraw/zinc/96/02/00/347960200.db2.gz VKWSKBVGYATTQS-JTQLQIEISA-N 1 2 253.296 3.001 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602740999 348022327 /nfs/dbraw/zinc/02/23/27/348022327.db2.gz YMPAVNRYEHASMW-FQUUOJAGSA-N 1 2 293.432 3.338 20 30 CGEDLO Cc1cc(C)c(CN(CCC#N)Cc2ccccn2)c(C)[nH+]1 ZINC000602780636 348026959 /nfs/dbraw/zinc/02/69/59/348026959.db2.gz WOGHFIXHPSEMHY-UHFFFAOYSA-N 1 2 294.402 3.318 20 30 CGEDLO CC(C)(C)c1ccc(C#N)c(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000603405632 348079672 /nfs/dbraw/zinc/07/96/72/348079672.db2.gz BVGLILDBPVGPHH-UHFFFAOYSA-N 1 2 283.379 3.321 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[C@@H]1C#N ZINC000602976125 348048430 /nfs/dbraw/zinc/04/84/30/348048430.db2.gz LFXNFBRIEJOVLH-DGCLKSJQSA-N 1 2 271.389 3.420 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[C@@H]1C#N ZINC000602976125 348048432 /nfs/dbraw/zinc/04/84/32/348048432.db2.gz LFXNFBRIEJOVLH-DGCLKSJQSA-N 1 2 271.389 3.420 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCC[C@@H]1C#N ZINC000602977752 348049233 /nfs/dbraw/zinc/04/92/33/348049233.db2.gz GPSQAPOQICOATA-YGRLFVJLSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC[C@@H]1C#N ZINC000602977752 348049236 /nfs/dbraw/zinc/04/92/36/348049236.db2.gz GPSQAPOQICOATA-YGRLFVJLSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCC[C@H]1C#N ZINC000602980521 348050254 /nfs/dbraw/zinc/05/02/54/348050254.db2.gz QVHCIOUZUZUWPE-DZGCQCFKSA-N 1 2 287.407 3.383 20 30 CGEDLO C[N@@H+](Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCC[C@H]1C#N ZINC000602980521 348050256 /nfs/dbraw/zinc/05/02/56/348050256.db2.gz QVHCIOUZUZUWPE-DZGCQCFKSA-N 1 2 287.407 3.383 20 30 CGEDLO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980654 348051113 /nfs/dbraw/zinc/05/11/13/348051113.db2.gz SUCYQYVTPBGJGD-MSOLQXFVSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980654 348051115 /nfs/dbraw/zinc/05/11/15/348051115.db2.gz SUCYQYVTPBGJGD-MSOLQXFVSA-N 1 2 294.402 3.055 20 30 CGEDLO N#Cc1cnc(NCC[NH+]2Cc3ccccc3C2)c(Cl)c1 ZINC000608885554 348333605 /nfs/dbraw/zinc/33/36/05/348333605.db2.gz YGTUQXYRVDVMSD-UHFFFAOYSA-N 1 2 298.777 3.034 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000609487055 348345301 /nfs/dbraw/zinc/34/53/01/348345301.db2.gz WAQQLLWBQSEYDD-MRXNPFEDSA-N 1 2 291.826 3.006 20 30 CGEDLO C[C@@H](Nc1cc[nH+]c2ccncc12)c1cccc(C#N)c1 ZINC000610661443 348394508 /nfs/dbraw/zinc/39/45/08/348394508.db2.gz LBIDFDZFEQMBSR-GFCCVEGCSA-N 1 2 274.327 3.096 20 30 CGEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000611483772 348455445 /nfs/dbraw/zinc/45/54/45/348455445.db2.gz ONWYUSSLJUHYAN-UHFFFAOYSA-N 1 2 291.276 3.003 20 30 CGEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000611483772 348455447 /nfs/dbraw/zinc/45/54/47/348455447.db2.gz ONWYUSSLJUHYAN-UHFFFAOYSA-N 1 2 291.276 3.003 20 30 CGEDLO CSc1ccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612163874 348498514 /nfs/dbraw/zinc/49/85/14/348498514.db2.gz ZMZQCSQJRQCNEA-MRXNPFEDSA-N 1 2 290.432 3.413 20 30 CGEDLO CSc1ccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612163874 348498516 /nfs/dbraw/zinc/49/85/16/348498516.db2.gz ZMZQCSQJRQCNEA-MRXNPFEDSA-N 1 2 290.432 3.413 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612406742 348517412 /nfs/dbraw/zinc/51/74/12/348517412.db2.gz SHKRDWDMVYVRGA-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612406742 348517414 /nfs/dbraw/zinc/51/74/14/348517414.db2.gz SHKRDWDMVYVRGA-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2nccc3ccccc32)c1 ZINC000613443553 348604334 /nfs/dbraw/zinc/60/43/34/348604334.db2.gz QPVBBQGZWKKLJQ-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)c(F)c1 ZINC000613657128 348626117 /nfs/dbraw/zinc/62/61/17/348626117.db2.gz NCWYLXOQUWZCEW-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000617037150 348902851 /nfs/dbraw/zinc/90/28/51/348902851.db2.gz IZIDKAOAIHVUJS-ZBFHGGJFSA-N 1 2 297.402 3.128 20 30 CGEDLO Cc1ccn2c(/C=C/c3ncccc3C#N)c[nH+]c2c1 ZINC000352009283 219289257 /nfs/dbraw/zinc/28/92/57/219289257.db2.gz VVIRPGSRCXIKHP-SNAWJCMRSA-N 1 2 260.300 3.080 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000619720207 349279131 /nfs/dbraw/zinc/27/91/31/349279131.db2.gz OJUKQCSFTNYNAN-KRWDZBQOSA-N 1 2 285.387 3.066 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000619720207 349279134 /nfs/dbraw/zinc/27/91/34/349279134.db2.gz OJUKQCSFTNYNAN-KRWDZBQOSA-N 1 2 285.387 3.066 20 30 CGEDLO N#Cc1ccc(NCc2[nH+]ccn2CC(F)(F)F)c(F)c1 ZINC000359482886 233323136 /nfs/dbraw/zinc/32/31/36/233323136.db2.gz SJSQNFRJCVSMQJ-UHFFFAOYSA-N 1 2 298.243 3.068 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000626354779 350297869 /nfs/dbraw/zinc/29/78/69/350297869.db2.gz AJNXTRUZHOMYIR-CYBMUJFWSA-N 1 2 284.363 3.073 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000125250407 535122635 /nfs/dbraw/zinc/12/26/35/535122635.db2.gz TWFQOYOHDKWTQS-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000125250407 535122638 /nfs/dbraw/zinc/12/26/38/535122638.db2.gz TWFQOYOHDKWTQS-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635866974 351699113 /nfs/dbraw/zinc/69/91/13/351699113.db2.gz MAVCEFUSKHXQKL-LSDHHAIUSA-N 1 2 275.396 3.037 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(F)c(C#N)c2)c(C)[nH+]1 ZINC000336493568 213366011 /nfs/dbraw/zinc/36/60/11/213366011.db2.gz HQKWKHKUUYDOFM-UHFFFAOYSA-N 1 2 283.306 3.270 20 30 CGEDLO CC[N@H+](Cc1ccon1)[C@@H](C)c1ccc(C#N)cc1 ZINC000122830852 187054374 /nfs/dbraw/zinc/05/43/74/187054374.db2.gz QDYQCYYIMQFGNX-LBPRGKRZSA-N 1 2 255.321 3.129 20 30 CGEDLO CC[N@@H+](Cc1ccon1)[C@@H](C)c1ccc(C#N)cc1 ZINC000122830852 187054375 /nfs/dbraw/zinc/05/43/75/187054375.db2.gz QDYQCYYIMQFGNX-LBPRGKRZSA-N 1 2 255.321 3.129 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(C(C)C)no1)c1ccccc1 ZINC000271670146 191269501 /nfs/dbraw/zinc/26/95/01/191269501.db2.gz GFSDKTBMYCBPHC-CQSZACIVSA-N 1 2 269.348 3.047 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156918838 188287665 /nfs/dbraw/zinc/28/76/65/188287665.db2.gz JTKUVBZVMVAWOR-GFCCVEGCSA-N 1 2 296.292 3.171 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156918838 188287666 /nfs/dbraw/zinc/28/76/66/188287666.db2.gz JTKUVBZVMVAWOR-GFCCVEGCSA-N 1 2 296.292 3.171 20 30 CGEDLO CC(C)n1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271788940 191328838 /nfs/dbraw/zinc/32/88/38/191328838.db2.gz MXWTUOHPFAAAFO-UHFFFAOYSA-N 1 2 280.375 3.115 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413320305 235268019 /nfs/dbraw/zinc/26/80/19/235268019.db2.gz UZGQCRBWHSTEJT-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCc2ccsc2C1 ZINC000428304289 236390609 /nfs/dbraw/zinc/39/06/09/236390609.db2.gz XBIPJFQKFPUJMS-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCc2ccsc2C1 ZINC000428304289 236390612 /nfs/dbraw/zinc/39/06/12/236390612.db2.gz XBIPJFQKFPUJMS-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)cc(C#N)n1 ZINC000341767874 216095692 /nfs/dbraw/zinc/09/56/92/216095692.db2.gz DRDYUSOVTRHLDZ-UHFFFAOYSA-N 1 2 291.358 3.183 20 30 CGEDLO Cc1cc(NCCOc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000301450165 201013862 /nfs/dbraw/zinc/01/38/62/201013862.db2.gz LIBJBOUILGTRBR-UHFFFAOYSA-N 1 2 296.374 3.271 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccc(F)cc2F)n1)C1CC1 ZINC000275445872 193041700 /nfs/dbraw/zinc/04/17/00/193041700.db2.gz KAFWHCDWEIXBFK-UHFFFAOYSA-N 1 2 291.301 3.165 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccc(F)cc2F)n1)C1CC1 ZINC000275445872 193041702 /nfs/dbraw/zinc/04/17/02/193041702.db2.gz KAFWHCDWEIXBFK-UHFFFAOYSA-N 1 2 291.301 3.165 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2cccs2)n1 ZINC000121527991 370870366 /nfs/dbraw/zinc/87/03/66/370870366.db2.gz LDNOQIIMPRIPLL-UHFFFAOYSA-N 1 2 250.392 3.489 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2cccs2)n1 ZINC000121527991 370870374 /nfs/dbraw/zinc/87/03/74/370870374.db2.gz LDNOQIIMPRIPLL-UHFFFAOYSA-N 1 2 250.392 3.489 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)cs1 ZINC000042399078 369220093 /nfs/dbraw/zinc/22/00/93/369220093.db2.gz KKEUYZHZWWQGTO-MRVPVSSYSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000042399078 369220096 /nfs/dbraw/zinc/22/00/96/369220096.db2.gz KKEUYZHZWWQGTO-MRVPVSSYSA-N 1 2 273.199 3.102 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc2cc(OC)ccc2o1 ZINC000127684367 370956327 /nfs/dbraw/zinc/95/63/27/370956327.db2.gz DBPWFFRFJQASKU-UHFFFAOYSA-N 1 2 258.321 3.177 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc2cc(OC)ccc2o1 ZINC000127684367 370956331 /nfs/dbraw/zinc/95/63/31/370956331.db2.gz DBPWFFRFJQASKU-UHFFFAOYSA-N 1 2 258.321 3.177 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288405 369646173 /nfs/dbraw/zinc/64/61/73/369646173.db2.gz DGBMOQASIPQSBC-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000063288405 369646176 /nfs/dbraw/zinc/64/61/76/369646176.db2.gz DGBMOQASIPQSBC-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2C)cc1Cl ZINC000091800572 370076247 /nfs/dbraw/zinc/07/62/47/370076247.db2.gz FWNGAYATZNPGBM-GFCCVEGCSA-N 1 2 281.783 3.126 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1Cl ZINC000091800572 370076249 /nfs/dbraw/zinc/07/62/49/370076249.db2.gz FWNGAYATZNPGBM-GFCCVEGCSA-N 1 2 281.783 3.126 20 30 CGEDLO CC[N@@H+](Cc1cn(-c2ccccc2)nc1C)C[C@H](C)C#N ZINC000091982567 370083175 /nfs/dbraw/zinc/08/31/75/370083175.db2.gz ZIJJMXVLCYOFIF-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@H+](Cc1cn(-c2ccccc2)nc1C)C[C@H](C)C#N ZINC000091982567 370083181 /nfs/dbraw/zinc/08/31/81/370083181.db2.gz ZIJJMXVLCYOFIF-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C[C@@H](C)C#N ZINC000091982386 370083950 /nfs/dbraw/zinc/08/39/50/370083950.db2.gz SPQLPGZNUOPDLE-QWHCGFSZSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C[C@@H](C)C#N ZINC000091982386 370083956 /nfs/dbraw/zinc/08/39/56/370083956.db2.gz SPQLPGZNUOPDLE-QWHCGFSZSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H](C)C#N ZINC000091984150 370086671 /nfs/dbraw/zinc/08/66/71/370086671.db2.gz NLWIGSISYSZPQX-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](C)C#N ZINC000091984150 370086678 /nfs/dbraw/zinc/08/66/78/370086678.db2.gz NLWIGSISYSZPQX-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)Cc1cccc2[nH]ccc21 ZINC000093100728 370109420 /nfs/dbraw/zinc/10/94/20/370109420.db2.gz OQBAKVMFADWQPM-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)Cc1cccc2[nH]ccc21 ZINC000093100728 370109422 /nfs/dbraw/zinc/10/94/22/370109422.db2.gz OQBAKVMFADWQPM-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103141724 370319977 /nfs/dbraw/zinc/31/99/77/370319977.db2.gz ZYEMXKJTCLSMFK-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103141724 370319981 /nfs/dbraw/zinc/31/99/81/370319981.db2.gz ZYEMXKJTCLSMFK-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1nccs1 ZINC000130330781 371025730 /nfs/dbraw/zinc/02/57/30/371025730.db2.gz BLLCKTKTOWJVHJ-ZDUSSCGKSA-N 1 2 287.388 3.264 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000131056441 371079777 /nfs/dbraw/zinc/07/97/77/371079777.db2.gz ITNHTTDEWURZLM-UHFFFAOYSA-N 1 2 293.720 3.360 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131327240 371099922 /nfs/dbraw/zinc/09/99/22/371099922.db2.gz VZGZJNXZELDURK-GFCCVEGCSA-N 1 2 255.745 3.315 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131327240 371099931 /nfs/dbraw/zinc/09/99/31/371099931.db2.gz VZGZJNXZELDURK-GFCCVEGCSA-N 1 2 255.745 3.315 20 30 CGEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC000131369125 371103555 /nfs/dbraw/zinc/10/35/55/371103555.db2.gz VIKMNMBMZOIFRI-UHFFFAOYSA-N 1 2 294.420 3.172 20 30 CGEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC000131369125 371103558 /nfs/dbraw/zinc/10/35/58/371103558.db2.gz VIKMNMBMZOIFRI-UHFFFAOYSA-N 1 2 294.420 3.172 20 30 CGEDLO COc1cc[nH+]cc1CSc1nc(C)cc(C)c1C#N ZINC000286563035 371519144 /nfs/dbraw/zinc/51/91/44/371519144.db2.gz LWNNPJRISAAEJI-UHFFFAOYSA-N 1 2 285.372 3.266 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)c(SC)cc1OC ZINC000152633085 371709383 /nfs/dbraw/zinc/70/93/83/371709383.db2.gz RNWBHZNLQHPCJR-NSHDSACASA-N 1 2 294.420 3.160 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)c(SC)cc1OC ZINC000152633085 371709388 /nfs/dbraw/zinc/70/93/88/371709388.db2.gz RNWBHZNLQHPCJR-NSHDSACASA-N 1 2 294.420 3.160 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000289682877 371792429 /nfs/dbraw/zinc/79/24/29/371792429.db2.gz HSERMNOYUFGQHK-HOTGVXAUSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000289682877 371792435 /nfs/dbraw/zinc/79/24/35/371792435.db2.gz HSERMNOYUFGQHK-HOTGVXAUSA-N 1 2 288.366 3.087 20 30 CGEDLO Cc1[nH]ncc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154387370 371842154 /nfs/dbraw/zinc/84/21/54/371842154.db2.gz OJLARJUXZWKJCW-UHFFFAOYSA-N 1 2 268.364 3.000 20 30 CGEDLO Cc1[nH]ncc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154387370 371842156 /nfs/dbraw/zinc/84/21/56/371842156.db2.gz OJLARJUXZWKJCW-UHFFFAOYSA-N 1 2 268.364 3.000 20 30 CGEDLO C[C@H]1OCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000156030991 371958209 /nfs/dbraw/zinc/95/82/09/371958209.db2.gz VYDUNQGBEGVFHC-CHWSQXEVSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@H]1OCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000156030991 371958218 /nfs/dbraw/zinc/95/82/18/371958218.db2.gz VYDUNQGBEGVFHC-CHWSQXEVSA-N 1 2 297.320 3.166 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc(C)c1Cl ZINC000425285210 372119471 /nfs/dbraw/zinc/11/94/71/372119471.db2.gz SKFXURPNTGEVEM-QWRGUYRKSA-N 1 2 252.745 3.046 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(F)c1F ZINC000159439212 372144704 /nfs/dbraw/zinc/14/47/04/372144704.db2.gz ROFUKMIPDMGKDH-MNOVXSKESA-N 1 2 263.291 3.059 20 30 CGEDLO C=CCC(C)(C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000291904335 372177261 /nfs/dbraw/zinc/17/72/61/372177261.db2.gz LYBGZHJIAUJONU-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccc(C)cc1Br ZINC000428380101 372186273 /nfs/dbraw/zinc/18/62/73/372186273.db2.gz YBFVGEJXPFVDNW-UHFFFAOYSA-N 1 2 254.171 3.375 20 30 CGEDLO C=CC[N@H+](C)Cc1ccc(C)cc1Br ZINC000428380101 372186280 /nfs/dbraw/zinc/18/62/80/372186280.db2.gz YBFVGEJXPFVDNW-UHFFFAOYSA-N 1 2 254.171 3.375 20 30 CGEDLO C#CCCCCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000293859412 372504391 /nfs/dbraw/zinc/50/43/91/372504391.db2.gz GJMAGCNFHBLMPL-QGZVFWFLSA-N 1 2 295.386 3.151 20 30 CGEDLO CCc1ncc(C[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000344458761 217197424 /nfs/dbraw/zinc/19/74/24/217197424.db2.gz GUAWBOPAWSMMDC-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO CCc1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000344458761 217197426 /nfs/dbraw/zinc/19/74/26/217197426.db2.gz GUAWBOPAWSMMDC-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432926589 372575584 /nfs/dbraw/zinc/57/55/84/372575584.db2.gz YCFMJWHALPBPDN-UHFFFAOYSA-N 1 2 298.434 3.333 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432926589 372575587 /nfs/dbraw/zinc/57/55/87/372575587.db2.gz YCFMJWHALPBPDN-UHFFFAOYSA-N 1 2 298.434 3.333 20 30 CGEDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000171374101 372745318 /nfs/dbraw/zinc/74/53/18/372745318.db2.gz QUXLXYBVUSPRBP-QGZVFWFLSA-N 1 2 283.350 3.373 20 30 CGEDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000171374101 372745324 /nfs/dbraw/zinc/74/53/24/372745324.db2.gz QUXLXYBVUSPRBP-QGZVFWFLSA-N 1 2 283.350 3.373 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+](CC#N)C2CC2)C1 ZINC000437689653 372854696 /nfs/dbraw/zinc/85/46/96/372854696.db2.gz UEZWFBKGIHKELH-IRXDYDNUSA-N 1 2 254.377 3.485 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+](CC#N)C2CC2)C1 ZINC000437689653 372854700 /nfs/dbraw/zinc/85/47/00/372854700.db2.gz UEZWFBKGIHKELH-IRXDYDNUSA-N 1 2 254.377 3.485 20 30 CGEDLO CCSCc1cc[nH+]c(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442820592 373096934 /nfs/dbraw/zinc/09/69/34/373096934.db2.gz BZDHMLMDKNEUAF-AAEUAGOBSA-N 1 2 261.394 3.439 20 30 CGEDLO C=CCCC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000176510734 373606910 /nfs/dbraw/zinc/60/69/10/373606910.db2.gz RSWZKLZXJAJCNB-UHFFFAOYSA-N 1 2 297.402 3.098 20 30 CGEDLO CC[C@H](C#N)Oc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000301280753 373727117 /nfs/dbraw/zinc/72/71/17/373727117.db2.gz MJGWLWLTNLXZDU-CQSZACIVSA-N 1 2 282.347 3.078 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301374739 373763812 /nfs/dbraw/zinc/76/38/12/373763812.db2.gz QYDJYKPAEJSFPQ-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3cccc(C#N)c3C)cn21 ZINC000179057574 373833436 /nfs/dbraw/zinc/83/34/36/373833436.db2.gz ICEIEBGQUHNDGD-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(=O)OCC ZINC000449659129 373838412 /nfs/dbraw/zinc/83/84/12/373838412.db2.gz VBKAXKDIEDBZQF-HZSPNIEDSA-N 1 2 285.453 3.004 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)C1CCCCC1 ZINC000180310930 373989187 /nfs/dbraw/zinc/98/91/87/373989187.db2.gz QJFRGZXWEKETPU-MDZDMXLPSA-N 1 2 254.333 3.497 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181444076 374124970 /nfs/dbraw/zinc/12/49/70/374124970.db2.gz QDOZTAXWROWULC-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181444076 374124974 /nfs/dbraw/zinc/12/49/74/374124974.db2.gz QDOZTAXWROWULC-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C=CC[N@@H+](Cc1cnoc1C)Cc1ccccc1F ZINC000181653335 374149880 /nfs/dbraw/zinc/14/98/80/374149880.db2.gz WLVAXNVRMJDBNJ-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO C=CC[N@H+](Cc1cnoc1C)Cc1ccccc1F ZINC000181653335 374149885 /nfs/dbraw/zinc/14/98/85/374149885.db2.gz WLVAXNVRMJDBNJ-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000307881876 374154655 /nfs/dbraw/zinc/15/46/55/374154655.db2.gz KYTNEIUGWGIQEA-UHFFFAOYSA-N 1 2 268.282 3.174 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000186009270 374784772 /nfs/dbraw/zinc/78/47/72/374784772.db2.gz QGLPMUIUZKOAHR-OLZOCXBDSA-N 1 2 261.369 3.066 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@@H](C2CC2)O1 ZINC000470920996 375000267 /nfs/dbraw/zinc/00/02/67/375000267.db2.gz AOKYCUNMNZSHFB-DYVFJYSZSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H](C2CC2)O1 ZINC000470920996 375000275 /nfs/dbraw/zinc/00/02/75/375000275.db2.gz AOKYCUNMNZSHFB-DYVFJYSZSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470917095 375000544 /nfs/dbraw/zinc/00/05/44/375000544.db2.gz DNFPULDFNICCPA-CXAGYDPISA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470917095 375000548 /nfs/dbraw/zinc/00/05/48/375000548.db2.gz DNFPULDFNICCPA-CXAGYDPISA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470917107 375000859 /nfs/dbraw/zinc/00/08/59/375000859.db2.gz DNFPULDFNICCPA-SUMWQHHRSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](C2CC2)O1 ZINC000470917107 375000868 /nfs/dbraw/zinc/00/08/68/375000868.db2.gz DNFPULDFNICCPA-SUMWQHHRSA-N 1 2 289.806 3.191 20 30 CGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000187747063 375085411 /nfs/dbraw/zinc/08/54/11/375085411.db2.gz DWEIEMZJDMTSHO-KRWDZBQOSA-N 1 2 299.374 3.244 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000481214053 375163646 /nfs/dbraw/zinc/16/36/46/375163646.db2.gz TXYLTRLBIHRMNX-UHFFFAOYSA-N 1 2 273.405 3.317 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000481214053 375163651 /nfs/dbraw/zinc/16/36/51/375163651.db2.gz TXYLTRLBIHRMNX-UHFFFAOYSA-N 1 2 273.405 3.317 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000481325483 375164034 /nfs/dbraw/zinc/16/40/34/375164034.db2.gz ZVOOEVBQNQLLFD-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000481325483 375164039 /nfs/dbraw/zinc/16/40/39/375164039.db2.gz ZVOOEVBQNQLLFD-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000488180429 375304907 /nfs/dbraw/zinc/30/49/07/375304907.db2.gz HXGGDVOUDQVOHB-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H]1COC(C)(C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000488180429 375304911 /nfs/dbraw/zinc/30/49/11/375304911.db2.gz HXGGDVOUDQVOHB-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000491735194 375341678 /nfs/dbraw/zinc/34/16/78/375341678.db2.gz SUCGZCYCRIMCRS-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000491735194 375341685 /nfs/dbraw/zinc/34/16/85/375341685.db2.gz SUCGZCYCRIMCRS-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO CCC[N@H+](Cc1cc(C#N)cs1)[C@H](CC)C(=O)OCC ZINC000191671354 375651450 /nfs/dbraw/zinc/65/14/50/375651450.db2.gz CCERMIWIOIAYQI-CQSZACIVSA-N 1 2 294.420 3.173 20 30 CGEDLO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H](CC)C(=O)OCC ZINC000191671354 375651453 /nfs/dbraw/zinc/65/14/53/375651453.db2.gz CCERMIWIOIAYQI-CQSZACIVSA-N 1 2 294.420 3.173 20 30 CGEDLO C[C@@]1(F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000501413173 375639489 /nfs/dbraw/zinc/63/94/89/375639489.db2.gz XMWXUXXNCHXSPW-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000501413173 375639496 /nfs/dbraw/zinc/63/94/96/375639496.db2.gz XMWXUXXNCHXSPW-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000191961537 375684646 /nfs/dbraw/zinc/68/46/46/375684646.db2.gz SKJSHAJLRIDAMG-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000191961537 375684647 /nfs/dbraw/zinc/68/46/47/375684647.db2.gz SKJSHAJLRIDAMG-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000192177359 375706101 /nfs/dbraw/zinc/70/61/01/375706101.db2.gz PNMLIYGLSATZCE-OAHLLOKOSA-N 1 2 288.322 3.076 20 30 CGEDLO C/C(Cl)=C\C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000528512839 375903413 /nfs/dbraw/zinc/90/34/13/375903413.db2.gz NUDLMCPBKFRCAU-KWMLIXQSSA-N 1 2 260.768 3.368 20 30 CGEDLO C/C(Cl)=C\C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000528512839 375903421 /nfs/dbraw/zinc/90/34/21/375903421.db2.gz NUDLMCPBKFRCAU-KWMLIXQSSA-N 1 2 260.768 3.368 20 30 CGEDLO CC[N@@H+](Cc1cnc2ccccc2c1)C[C@@H](C)C#N ZINC000336805069 375956077 /nfs/dbraw/zinc/95/60/77/375956077.db2.gz ROIOCEARLAHPCV-ZDUSSCGKSA-N 1 2 253.349 3.216 20 30 CGEDLO CC[N@H+](Cc1cnc2ccccc2c1)C[C@@H](C)C#N ZINC000336805069 375956086 /nfs/dbraw/zinc/95/60/86/375956086.db2.gz ROIOCEARLAHPCV-ZDUSSCGKSA-N 1 2 253.349 3.216 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529520802 375927123 /nfs/dbraw/zinc/92/71/23/375927123.db2.gz MQFZJRSWIYGNCU-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529520802 375927131 /nfs/dbraw/zinc/92/71/31/375927131.db2.gz MQFZJRSWIYGNCU-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO COc1cc(C[NH+]2CCC(C#N)CC2)cc(C(F)(F)F)c1 ZINC000529525016 375927955 /nfs/dbraw/zinc/92/79/55/375927955.db2.gz AWDGWZSBADJCGR-UHFFFAOYSA-N 1 2 298.308 3.450 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000338266951 376302997 /nfs/dbraw/zinc/30/29/97/376302997.db2.gz SWGCLIHJSIPYDM-NSHDSACASA-N 1 2 273.311 3.072 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000338266951 376303002 /nfs/dbraw/zinc/30/30/02/376303002.db2.gz SWGCLIHJSIPYDM-NSHDSACASA-N 1 2 273.311 3.072 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(C#N)cc1 ZINC000338393921 376360977 /nfs/dbraw/zinc/36/09/77/376360977.db2.gz XIRUGUNFODAUHQ-LLVKDONJSA-N 1 2 294.314 3.052 20 30 CGEDLO C=CCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000264377674 190105724 /nfs/dbraw/zinc/10/57/24/190105724.db2.gz IGOQXHMXDWTVBQ-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO C=CCOCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000339110640 376685579 /nfs/dbraw/zinc/68/55/79/376685579.db2.gz ICTMDGSUYQUWIC-XJKSGUPXSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000339110640 376685582 /nfs/dbraw/zinc/68/55/82/376685582.db2.gz ICTMDGSUYQUWIC-XJKSGUPXSA-N 1 2 295.810 3.304 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccccc2)O1 ZINC000245559234 376854019 /nfs/dbraw/zinc/85/40/19/376854019.db2.gz LOQLDOZKNDZDNO-DYVFJYSZSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccccc2)O1 ZINC000245559234 376854028 /nfs/dbraw/zinc/85/40/28/376854028.db2.gz LOQLDOZKNDZDNO-DYVFJYSZSA-N 1 2 282.343 3.113 20 30 CGEDLO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@H](C#N)CCC#N)o1 ZINC000248636247 377372245 /nfs/dbraw/zinc/37/22/45/377372245.db2.gz VTFBNHNYBQAGIZ-UKRRQHHQSA-N 1 2 287.363 3.006 20 30 CGEDLO COCc1ccc([C@H]2CCC[N@H+]2C[C@@H](C#N)CCC#N)o1 ZINC000248636247 377372255 /nfs/dbraw/zinc/37/22/55/377372255.db2.gz VTFBNHNYBQAGIZ-UKRRQHHQSA-N 1 2 287.363 3.006 20 30 CGEDLO O=C1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)C1 ZINC000565784439 377490372 /nfs/dbraw/zinc/49/03/72/377490372.db2.gz VSONZLHEUUYJQW-UHFFFAOYSA-N 1 2 287.790 3.279 20 30 CGEDLO O=C1CC[N@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)C1 ZINC000565784439 377490379 /nfs/dbraw/zinc/49/03/79/377490379.db2.gz VSONZLHEUUYJQW-UHFFFAOYSA-N 1 2 287.790 3.279 20 30 CGEDLO CCC[C@@H](C#N)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000569690573 377529306 /nfs/dbraw/zinc/52/93/06/377529306.db2.gz CRCZNZXBPFYWAL-ZDUSSCGKSA-N 1 2 295.342 3.296 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC000571936634 377544994 /nfs/dbraw/zinc/54/49/94/377544994.db2.gz CTJROMHEVFLIKE-CYBMUJFWSA-N 1 2 282.347 3.051 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(-c2cccs2)oc1C ZINC000572054904 377546214 /nfs/dbraw/zinc/54/62/14/377546214.db2.gz CWEXXVUSHUDRTG-NSHDSACASA-N 1 2 275.377 3.493 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000572206662 377547968 /nfs/dbraw/zinc/54/79/68/377547968.db2.gz VTVHYQANPZAUMV-UHFFFAOYSA-N 1 2 281.403 3.191 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000572206662 377547970 /nfs/dbraw/zinc/54/79/70/377547970.db2.gz VTVHYQANPZAUMV-UHFFFAOYSA-N 1 2 281.403 3.191 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000516702127 249242162 /nfs/dbraw/zinc/24/21/62/249242162.db2.gz PUDZWUGDPXFXBI-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000516702127 249242163 /nfs/dbraw/zinc/24/21/63/249242163.db2.gz PUDZWUGDPXFXBI-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1nnc(OCC)s1 ZINC000265812733 190209518 /nfs/dbraw/zinc/20/95/18/190209518.db2.gz QHUHWOJYKXRFTI-UHFFFAOYSA-N 1 2 269.414 3.115 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1nnc(OCC)s1 ZINC000265812733 190209519 /nfs/dbraw/zinc/20/95/19/190209519.db2.gz QHUHWOJYKXRFTI-UHFFFAOYSA-N 1 2 269.414 3.115 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000342308899 377640267 /nfs/dbraw/zinc/64/02/67/377640267.db2.gz GZJJKDUGGCKYAC-UHFFFAOYSA-N 1 2 298.386 3.408 20 30 CGEDLO C=CCCCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000254986057 377721234 /nfs/dbraw/zinc/72/12/34/377721234.db2.gz GNPGAGDDCQIDMR-FLIBITNWSA-N 1 2 298.430 3.200 20 30 CGEDLO C[N@@H+](CC#N)CC/C=C\c1ccc(Br)cc1 ZINC000255047980 377727791 /nfs/dbraw/zinc/72/77/91/377727791.db2.gz UMTUGEFFJAHSFF-RQOWECAXSA-N 1 2 279.181 3.308 20 30 CGEDLO C[N@H+](CC#N)CC/C=C\c1ccc(Br)cc1 ZINC000255047980 377727801 /nfs/dbraw/zinc/72/78/01/377727801.db2.gz UMTUGEFFJAHSFF-RQOWECAXSA-N 1 2 279.181 3.308 20 30 CGEDLO C=CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000575000160 377736935 /nfs/dbraw/zinc/73/69/35/377736935.db2.gz WVKSEYHTVPIJGE-UHFFFAOYSA-N 1 2 285.391 3.048 20 30 CGEDLO Cn1c2ccccc2[nH+]c1N[C@H](CCC#N)c1ccccc1 ZINC000342771559 377782825 /nfs/dbraw/zinc/78/28/25/377782825.db2.gz RXTQDLPIGJWLEH-OAHLLOKOSA-N 1 2 290.370 3.452 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000264709022 377991420 /nfs/dbraw/zinc/99/14/20/377991420.db2.gz KLIAGXXSDJGIFM-HNNXBMFYSA-N 1 2 278.371 3.121 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000264709022 377991423 /nfs/dbraw/zinc/99/14/23/377991423.db2.gz KLIAGXXSDJGIFM-HNNXBMFYSA-N 1 2 278.371 3.121 20 30 CGEDLO C=C[C@H](CC(=O)NC(C)(C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000578447911 378070325 /nfs/dbraw/zinc/07/03/25/378070325.db2.gz AOPCLUMRYREJCA-CYBMUJFWSA-N 1 2 283.375 3.121 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000344108917 378158906 /nfs/dbraw/zinc/15/89/06/378158906.db2.gz MYFUIWQIYSGYEK-UHFFFAOYSA-N 1 2 298.390 3.336 20 30 CGEDLO C=CCOc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000583875690 378355681 /nfs/dbraw/zinc/35/56/81/378355681.db2.gz QEHZIMUTMBUKME-ZDUSSCGKSA-N 1 2 285.347 3.038 20 30 CGEDLO Cn1cc([C@H]2C[N@@H+]([C@@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505941 378401715 /nfs/dbraw/zinc/40/17/15/378401715.db2.gz XWNOAKLXQNUBQZ-SJORKVTESA-N 1 2 294.402 3.110 20 30 CGEDLO Cn1cc([C@H]2C[N@H+]([C@@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505941 378401721 /nfs/dbraw/zinc/40/17/21/378401721.db2.gz XWNOAKLXQNUBQZ-SJORKVTESA-N 1 2 294.402 3.110 20 30 CGEDLO CC(C)(C)[C@H]1C[C@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000270569809 378370374 /nfs/dbraw/zinc/37/03/74/378370374.db2.gz AYMRLJNJHJGCIQ-FZNAGJORSA-N 1 2 277.364 3.110 20 30 CGEDLO C#CCCCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271059406 378443298 /nfs/dbraw/zinc/44/32/98/378443298.db2.gz FOFBFTDHPJRMHF-UHFFFAOYSA-N 1 2 277.371 3.427 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(C)n1 ZINC000272209803 378585004 /nfs/dbraw/zinc/58/50/04/378585004.db2.gz AFNCSVRYMQCPAK-UHFFFAOYSA-N 1 2 262.378 3.275 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(C)n1 ZINC000272209803 378585009 /nfs/dbraw/zinc/58/50/09/378585009.db2.gz AFNCSVRYMQCPAK-UHFFFAOYSA-N 1 2 262.378 3.275 20 30 CGEDLO Cc1ccn2cc(CNc3ccc(F)cc3C#N)[nH+]c2c1 ZINC000346660167 378666214 /nfs/dbraw/zinc/66/62/14/378666214.db2.gz UAHYHAZXQQLVFC-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnccc1OC ZINC000346860038 378694123 /nfs/dbraw/zinc/69/41/23/378694123.db2.gz BYTUEOLRYNTCAA-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnccc1OC ZINC000346860038 378694129 /nfs/dbraw/zinc/69/41/29/378694129.db2.gz BYTUEOLRYNTCAA-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cnccc1OC ZINC000346865727 378695233 /nfs/dbraw/zinc/69/52/33/378695233.db2.gz IPJKPYWRFAHPNI-UHFFFAOYSA-N 1 2 268.360 3.278 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cnccc1OC ZINC000346865727 378695239 /nfs/dbraw/zinc/69/52/39/378695239.db2.gz IPJKPYWRFAHPNI-UHFFFAOYSA-N 1 2 268.360 3.278 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000348287478 378888013 /nfs/dbraw/zinc/88/80/13/378888013.db2.gz UMHYBRZPPHQSIN-ZANVPECISA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000348287478 378888018 /nfs/dbraw/zinc/88/80/18/378888018.db2.gz UMHYBRZPPHQSIN-ZANVPECISA-N 1 2 286.272 3.470 20 30 CGEDLO CCn1cc[nH+]c1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371852712 379178735 /nfs/dbraw/zinc/17/87/35/379178735.db2.gz JPFVSBBTBUDVDG-DLBZAZTESA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cc[nH+]c1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371852719 379178803 /nfs/dbraw/zinc/17/88/03/379178803.db2.gz JPFVSBBTBUDVDG-SJORKVTESA-N 1 2 294.402 3.175 20 30 CGEDLO C=CC[C@H]1CC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC1CCCC1 ZINC000639424699 379375397 /nfs/dbraw/zinc/37/53/97/379375397.db2.gz PHGBEDOTNJWWMJ-KSSFIOAISA-N 1 2 290.451 3.460 20 30 CGEDLO C[N@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000640029570 379693562 /nfs/dbraw/zinc/69/35/62/379693562.db2.gz JGPKSDXMKKJACE-UKRRQHHQSA-N 1 2 274.339 3.023 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000640029570 379693573 /nfs/dbraw/zinc/69/35/73/379693573.db2.gz JGPKSDXMKKJACE-UKRRQHHQSA-N 1 2 274.339 3.023 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1 ZINC000351571920 379727460 /nfs/dbraw/zinc/72/74/60/379727460.db2.gz BCGTWGMDIITZMA-LBPRGKRZSA-N 1 2 258.321 3.090 20 30 CGEDLO Cc1nocc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000351751119 379742481 /nfs/dbraw/zinc/74/24/81/379742481.db2.gz GIUQFINKYAKRTQ-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nocc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000351751119 379742483 /nfs/dbraw/zinc/74/24/83/379742483.db2.gz GIUQFINKYAKRTQ-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO C=C1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 ZINC000267459470 190331752 /nfs/dbraw/zinc/33/17/52/190331752.db2.gz RAOPQGMAWTXBSL-UHFFFAOYSA-N 1 2 283.375 3.121 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000280801840 379792966 /nfs/dbraw/zinc/79/29/66/379792966.db2.gz RYMQXYXGOYFMKO-UKRRQHHQSA-N 1 2 273.380 3.056 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(Cl)c1 ZINC000352484931 379834448 /nfs/dbraw/zinc/83/44/48/379834448.db2.gz VLBIEBPKLWTSRQ-UHFFFAOYSA-N 1 2 266.747 3.476 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1F ZINC000352810123 379974136 /nfs/dbraw/zinc/97/41/36/379974136.db2.gz LPEJGBAGDZXMDH-QMMMGPOBSA-N 1 2 279.315 3.144 20 30 CGEDLO CC(C)(C)Oc1cc[nH+]cc1NCc1nc(C#N)cs1 ZINC000352810927 379975107 /nfs/dbraw/zinc/97/51/07/379975107.db2.gz PNYNQCYYBXJZJN-UHFFFAOYSA-N 1 2 288.376 3.199 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(Cl)c1OC ZINC000352975421 380063550 /nfs/dbraw/zinc/06/35/50/380063550.db2.gz VLXURKYULQVXAM-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(F)F)ccc1C#N ZINC000353194116 380160839 /nfs/dbraw/zinc/16/08/39/380160839.db2.gz OAWJSGPEHONDGS-CYBMUJFWSA-N 1 2 250.292 3.096 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2C(F)F)ccc1C#N ZINC000353194116 380160848 /nfs/dbraw/zinc/16/08/48/380160848.db2.gz OAWJSGPEHONDGS-CYBMUJFWSA-N 1 2 250.292 3.096 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccn(CC)n1)c1ccco1 ZINC000414208670 380201433 /nfs/dbraw/zinc/20/14/33/380201433.db2.gz MDFFVDPMXYOYQR-CQSZACIVSA-N 1 2 259.353 3.293 20 30 CGEDLO C[N@H+](Cc1cccc(Cl)c1F)CC(C)(C)C#N ZINC000354036247 380292683 /nfs/dbraw/zinc/29/26/83/380292683.db2.gz FYZQMTPNXLFXTB-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1cccc(Cl)c1F)CC(C)(C)C#N ZINC000354036247 380292686 /nfs/dbraw/zinc/29/26/86/380292686.db2.gz FYZQMTPNXLFXTB-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO CC(C)Oc1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000354041013 380294315 /nfs/dbraw/zinc/29/43/15/380294315.db2.gz QITPKRSKLXVGDQ-UHFFFAOYSA-N 1 2 260.381 3.455 20 30 CGEDLO CC(C)Oc1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354041013 380294316 /nfs/dbraw/zinc/29/43/16/380294316.db2.gz QITPKRSKLXVGDQ-UHFFFAOYSA-N 1 2 260.381 3.455 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000354729494 380541191 /nfs/dbraw/zinc/54/11/91/380541191.db2.gz MQDVBXWQWNSQCE-AWEZNQCLSA-N 1 2 276.405 3.011 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000354729494 380541195 /nfs/dbraw/zinc/54/11/95/380541195.db2.gz MQDVBXWQWNSQCE-AWEZNQCLSA-N 1 2 276.405 3.011 20 30 CGEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000645407060 380674061 /nfs/dbraw/zinc/67/40/61/380674061.db2.gz JEWHHEINAUXTKV-JTQLQIEISA-N 1 2 292.741 3.214 20 30 CGEDLO C=C(C)[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000355736953 380764582 /nfs/dbraw/zinc/76/45/82/380764582.db2.gz VCFMDZFNKWTFCK-CQSZACIVSA-N 1 2 291.301 3.044 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nnc(CC)o1)Cc1ccccc1 ZINC000279231826 194343335 /nfs/dbraw/zinc/34/33/35/194343335.db2.gz DWGJSJOROLPQPD-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=C(C)C[N@H+](Cc1nnc(CC)o1)Cc1ccccc1 ZINC000279231826 194343338 /nfs/dbraw/zinc/34/33/38/194343338.db2.gz DWGJSJOROLPQPD-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=CCOCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000419468452 380830486 /nfs/dbraw/zinc/83/04/86/380830486.db2.gz VBRLQJBJFJAYJT-UHFFFAOYSA-N 1 2 274.389 3.308 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(COc3ccccc3)C2)cc1F ZINC000421389467 380935500 /nfs/dbraw/zinc/93/55/00/380935500.db2.gz XWFFUJPBDXUZIE-UHFFFAOYSA-N 1 2 296.345 3.208 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185610185 262061735 /nfs/dbraw/zinc/06/17/35/262061735.db2.gz GUDKSCLZWDDNRE-OAHLLOKOSA-N 1 2 278.783 3.407 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185610185 262061737 /nfs/dbraw/zinc/06/17/37/262061737.db2.gz GUDKSCLZWDDNRE-OAHLLOKOSA-N 1 2 278.783 3.407 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000463234400 262273640 /nfs/dbraw/zinc/27/36/40/262273640.db2.gz UBQPENIXZXDCQA-WBVHZDCISA-N 1 2 257.377 3.089 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000463234400 262273641 /nfs/dbraw/zinc/27/36/41/262273641.db2.gz UBQPENIXZXDCQA-WBVHZDCISA-N 1 2 257.377 3.089 20 30 CGEDLO COc1ccc(C#N)cc1NCc1c[nH+]c2c(C)cccn12 ZINC000354870405 533273118 /nfs/dbraw/zinc/27/31/18/533273118.db2.gz UNOYUURASBBJTJ-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO COc1ccc(C[N@H+](Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000356080964 533549444 /nfs/dbraw/zinc/54/94/44/533549444.db2.gz DLTUQBLNBXDKGQ-UHFFFAOYSA-N 1 2 299.399 3.188 20 30 CGEDLO COc1ccc(C[N@@H+](Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000356080964 533549451 /nfs/dbraw/zinc/54/94/51/533549451.db2.gz DLTUQBLNBXDKGQ-UHFFFAOYSA-N 1 2 299.399 3.188 20 30 CGEDLO N#CC[N@H+](Cc1cccc2[nH]ccc21)C1CCCC1 ZINC000093563431 392239481 /nfs/dbraw/zinc/23/94/81/392239481.db2.gz IIRRDSSAAQHGCM-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO N#CC[N@@H+](Cc1cccc2[nH]ccc21)C1CCCC1 ZINC000093563431 392239483 /nfs/dbraw/zinc/23/94/83/392239483.db2.gz IIRRDSSAAQHGCM-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO C=CCC[C@H](CC)[N@@H+]1CCOC[C@H]1c1nnc(C(C)C)o1 ZINC000282971232 392299099 /nfs/dbraw/zinc/29/90/99/392299099.db2.gz IOHLZSJMCUBHRC-KBPBESRZSA-N 1 2 293.411 3.311 20 30 CGEDLO C=CCC[C@H](CC)[N@H+]1CCOC[C@H]1c1nnc(C(C)C)o1 ZINC000282971232 392299101 /nfs/dbraw/zinc/29/91/01/392299101.db2.gz IOHLZSJMCUBHRC-KBPBESRZSA-N 1 2 293.411 3.311 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cs1 ZINC000361706427 392301147 /nfs/dbraw/zinc/30/11/47/392301147.db2.gz QITQAXCAHIMKMC-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)cs1 ZINC000361706427 392301152 /nfs/dbraw/zinc/30/11/52/392301152.db2.gz QITQAXCAHIMKMC-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000289311911 392418629 /nfs/dbraw/zinc/41/86/29/392418629.db2.gz XNAWPFDIRGYDGC-HZSPNIEDSA-N 1 2 291.395 3.065 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000289311911 392418632 /nfs/dbraw/zinc/41/86/32/392418632.db2.gz XNAWPFDIRGYDGC-HZSPNIEDSA-N 1 2 291.395 3.065 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1 ZINC000290200747 392442738 /nfs/dbraw/zinc/44/27/38/392442738.db2.gz CZVLGSFLQNRDLO-LBPRGKRZSA-N 1 2 286.400 3.122 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000121026843 392406829 /nfs/dbraw/zinc/40/68/29/392406829.db2.gz UZUQHBZITJQNOE-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000121026843 392406839 /nfs/dbraw/zinc/40/68/39/392406839.db2.gz UZUQHBZITJQNOE-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn2ccccc12 ZINC000179455883 392702174 /nfs/dbraw/zinc/70/21/74/392702174.db2.gz HZSFGHXOODSFKS-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn2ccccc12 ZINC000179455883 392702179 /nfs/dbraw/zinc/70/21/79/392702179.db2.gz HZSFGHXOODSFKS-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC#CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000525633489 392941131 /nfs/dbraw/zinc/94/11/31/392941131.db2.gz VKRCOWNQZHUUPN-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000525633489 392941136 /nfs/dbraw/zinc/94/11/36/392941136.db2.gz VKRCOWNQZHUUPN-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000343309557 393024474 /nfs/dbraw/zinc/02/44/74/393024474.db2.gz MFQOBRWKRNGLRR-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000343309557 393024479 /nfs/dbraw/zinc/02/44/79/393024479.db2.gz MFQOBRWKRNGLRR-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(Oc2ccccc2)nn1 ZINC000346377057 393086010 /nfs/dbraw/zinc/08/60/10/393086010.db2.gz SQYNBNGAHWBMDR-UHFFFAOYSA-N 1 2 281.359 3.443 20 30 CGEDLO N#CC1(F)CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000348712198 393128730 /nfs/dbraw/zinc/12/87/30/393128730.db2.gz ULCGUSAREVNRMK-UPHRSURJSA-N 1 2 280.293 3.306 20 30 CGEDLO CCCCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263946609 393155883 /nfs/dbraw/zinc/15/58/83/393155883.db2.gz LXZZSBVEWAXILI-AWEZNQCLSA-N 1 2 277.412 3.476 20 30 CGEDLO N#CCC[N@@H+](Cc1conc1Cc1ccccc1)CC1CC1 ZINC000351401949 393188859 /nfs/dbraw/zinc/18/88/59/393188859.db2.gz VRKIWTRUKYMZSF-UHFFFAOYSA-N 1 2 295.386 3.391 20 30 CGEDLO N#CCC[N@H+](Cc1conc1Cc1ccccc1)CC1CC1 ZINC000351401949 393188868 /nfs/dbraw/zinc/18/88/68/393188868.db2.gz VRKIWTRUKYMZSF-UHFFFAOYSA-N 1 2 295.386 3.391 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cnc(C)cn1)c1ccc(F)c(F)c1 ZINC000358985946 393532238 /nfs/dbraw/zinc/53/22/38/393532238.db2.gz KPRLXQYGZSEQSP-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO CC[C@@H]([NH2+]CCC#N)c1ccccc1OC(F)F ZINC000359061044 393535041 /nfs/dbraw/zinc/53/50/41/393535041.db2.gz BLYOUKPFWPRJPV-LLVKDONJSA-N 1 2 254.280 3.242 20 30 CGEDLO C=CCCCCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668159865 542978397 /nfs/dbraw/zinc/97/83/97/542978397.db2.gz JGQXVRYGQXNVLR-UHFFFAOYSA-N 1 2 272.352 3.121 20 30 CGEDLO C=CC[C@H](CC)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668163085 542978483 /nfs/dbraw/zinc/97/84/83/542978483.db2.gz RPYBJFIHZFARIC-LBPRGKRZSA-N 1 2 272.352 3.119 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)c1 ZINC000668824323 543067917 /nfs/dbraw/zinc/06/79/17/543067917.db2.gz OZUVQUNFTBTDMR-MRXNPFEDSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)c1 ZINC000668824323 543067919 /nfs/dbraw/zinc/06/79/19/543067919.db2.gz OZUVQUNFTBTDMR-MRXNPFEDSA-N 1 2 297.345 3.107 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697145 543177907 /nfs/dbraw/zinc/17/79/07/543177907.db2.gz NNIIHLHPAFZADR-LLVKDONJSA-N 1 2 275.377 3.032 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697145 543177909 /nfs/dbraw/zinc/17/79/09/543177909.db2.gz NNIIHLHPAFZADR-LLVKDONJSA-N 1 2 275.377 3.032 20 30 CGEDLO C=CCCCc1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000359121626 397687156 /nfs/dbraw/zinc/68/71/56/397687156.db2.gz MRXGCCNISCOJMG-UHFFFAOYSA-N 1 2 296.374 3.479 20 30 CGEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000678050078 543479417 /nfs/dbraw/zinc/47/94/17/543479417.db2.gz UZCXXMXEAUVUNE-AWEZNQCLSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000678050078 543479419 /nfs/dbraw/zinc/47/94/19/543479419.db2.gz UZCXXMXEAUVUNE-AWEZNQCLSA-N 1 2 286.202 3.289 20 30 CGEDLO Cc1c(Cl)cnc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c1C#N ZINC000285469204 196295031 /nfs/dbraw/zinc/29/50/31/196295031.db2.gz CAZKKADMYSXDCH-LBPRGKRZSA-N 1 2 289.770 3.447 20 30 CGEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2C)c(C#N)c1C ZINC000078316655 177332783 /nfs/dbraw/zinc/33/27/83/177332783.db2.gz AFOOHRMYXWFMMF-SNVBAGLBSA-N 1 2 291.420 3.050 20 30 CGEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c(C#N)c1C ZINC000078316655 177332785 /nfs/dbraw/zinc/33/27/85/177332785.db2.gz AFOOHRMYXWFMMF-SNVBAGLBSA-N 1 2 291.420 3.050 20 30 CGEDLO C=C(C)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684209982 543972954 /nfs/dbraw/zinc/97/29/54/543972954.db2.gz PZGWWEFVAPELQU-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=C(C)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684209982 543972957 /nfs/dbraw/zinc/97/29/57/543972957.db2.gz PZGWWEFVAPELQU-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCCCC2)[nH+]cn1 ZINC000664572722 418979501 /nfs/dbraw/zinc/97/95/01/418979501.db2.gz VCEWOBCKELNSFN-GASCZTMLSA-N 1 2 284.407 3.154 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N2CCCCC2)nc[nH+]1 ZINC000664572722 418979505 /nfs/dbraw/zinc/97/95/05/418979505.db2.gz VCEWOBCKELNSFN-GASCZTMLSA-N 1 2 284.407 3.154 20 30 CGEDLO C=CC[N@@H+](Cc1csc(CCC)n1)[C@@H](C)COC ZINC000661245318 419244270 /nfs/dbraw/zinc/24/42/70/419244270.db2.gz AATAFSLIRABSDS-LBPRGKRZSA-N 1 2 268.426 3.119 20 30 CGEDLO C=CC[N@H+](Cc1csc(CCC)n1)[C@@H](C)COC ZINC000661245318 419244272 /nfs/dbraw/zinc/24/42/72/419244272.db2.gz AATAFSLIRABSDS-LBPRGKRZSA-N 1 2 268.426 3.119 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000661380233 419255296 /nfs/dbraw/zinc/25/52/96/419255296.db2.gz LKTLPRBUIFMQES-INIZCTEOSA-N 1 2 297.402 3.449 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000661380233 419255298 /nfs/dbraw/zinc/25/52/98/419255298.db2.gz LKTLPRBUIFMQES-INIZCTEOSA-N 1 2 297.402 3.449 20 30 CGEDLO C=CCC1([NH2+]Cc2nc(=O)c3sccc3[nH]2)CCCC1 ZINC000661862912 419307436 /nfs/dbraw/zinc/30/74/36/419307436.db2.gz IUGYTJMTWPBHPW-UHFFFAOYSA-N 1 2 289.404 3.375 20 30 CGEDLO N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000332384396 228157551 /nfs/dbraw/zinc/15/75/51/228157551.db2.gz INRFFRBLTQUSAB-ZIAGYGMSSA-N 1 2 270.380 3.176 20 30 CGEDLO C=CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662101331 419335226 /nfs/dbraw/zinc/33/52/26/419335226.db2.gz RDNIEDOAXVYHCQ-LBPRGKRZSA-N 1 2 252.155 3.382 20 30 CGEDLO C=CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662101331 419335228 /nfs/dbraw/zinc/33/52/28/419335228.db2.gz RDNIEDOAXVYHCQ-LBPRGKRZSA-N 1 2 252.155 3.382 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000297746688 260133651 /nfs/dbraw/zinc/13/36/51/260133651.db2.gz DJONHSSEFPNXEW-AWEZNQCLSA-N 1 2 268.364 3.002 20 30 CGEDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1nncs1 ZINC000048481942 260200144 /nfs/dbraw/zinc/20/01/44/260200144.db2.gz PLCXZXSJNQWFGH-SECBINFHSA-N 1 2 294.405 3.025 20 30 CGEDLO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1nncs1 ZINC000048481942 260200146 /nfs/dbraw/zinc/20/01/46/260200146.db2.gz PLCXZXSJNQWFGH-SECBINFHSA-N 1 2 294.405 3.025 20 30 CGEDLO CC[C@@H](C)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000233837386 260316423 /nfs/dbraw/zinc/31/64/23/260316423.db2.gz ZAOWAAJZCJLGGC-OAHLLOKOSA-N 1 2 265.445 3.123 20 30 CGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000408158384 260316543 /nfs/dbraw/zinc/31/65/43/260316543.db2.gz KHLNPGLITKKNON-NSHDSACASA-N 1 2 276.384 3.054 20 30 CGEDLO C#CCCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000130516034 260397982 /nfs/dbraw/zinc/39/79/82/260397982.db2.gz GQJOHXGBTMDGFC-UHFFFAOYSA-N 1 2 291.358 3.031 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000186214728 262084622 /nfs/dbraw/zinc/08/46/22/262084622.db2.gz OOSWWOYHGLMTLI-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000186214728 262084623 /nfs/dbraw/zinc/08/46/23/262084623.db2.gz OOSWWOYHGLMTLI-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO CCC1(C/[NH+]=C/c2cccc(OC)c2O)CCOCC1 ZINC000266772772 262919195 /nfs/dbraw/zinc/91/91/95/262919195.db2.gz YSMLUPLBYHGXEJ-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272600532 263007382 /nfs/dbraw/zinc/00/73/82/263007382.db2.gz QSNMOHGVTZJHFB-OAHLLOKOSA-N 1 2 299.418 3.256 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000273914427 263020446 /nfs/dbraw/zinc/02/04/46/263020446.db2.gz YGDCPBWLQFTKGW-NSHDSACASA-N 1 2 276.771 3.009 20 30 CGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(C#N)CC1 ZINC000276321436 263036110 /nfs/dbraw/zinc/03/61/10/263036110.db2.gz PXOJBUDLVHBLGG-UHFFFAOYSA-N 1 2 281.359 3.292 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000283121220 263081250 /nfs/dbraw/zinc/08/12/50/263081250.db2.gz MXFMMHLVMWBDLA-CQSZACIVSA-N 1 2 266.772 3.263 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000283121220 263081251 /nfs/dbraw/zinc/08/12/51/263081251.db2.gz MXFMMHLVMWBDLA-CQSZACIVSA-N 1 2 266.772 3.263 20 30 CGEDLO Cc1c(Cl)cccc1N1CCC[N@H+](CCC#N)CC1 ZINC000284895412 263088292 /nfs/dbraw/zinc/08/82/92/263088292.db2.gz UMGKACKZYOUGNN-UHFFFAOYSA-N 1 2 277.799 3.074 20 30 CGEDLO Cc1c(Cl)cccc1N1CCC[N@@H+](CCC#N)CC1 ZINC000284895412 263088293 /nfs/dbraw/zinc/08/82/93/263088293.db2.gz UMGKACKZYOUGNN-UHFFFAOYSA-N 1 2 277.799 3.074 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncc(OC)c1 ZINC000290218813 263115611 /nfs/dbraw/zinc/11/56/11/263115611.db2.gz HYICGYTWABGARF-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncc(OC)c1 ZINC000290218813 263115612 /nfs/dbraw/zinc/11/56/12/263115612.db2.gz HYICGYTWABGARF-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000292679766 263133580 /nfs/dbraw/zinc/13/35/80/263133580.db2.gz AMOTYVNRFOABBI-UHFFFAOYSA-N 1 2 295.180 3.056 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000292679766 263133581 /nfs/dbraw/zinc/13/35/81/263133581.db2.gz AMOTYVNRFOABBI-UHFFFAOYSA-N 1 2 295.180 3.056 20 30 CGEDLO N#CCCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295821980 263182589 /nfs/dbraw/zinc/18/25/89/263182589.db2.gz XXUHKGUFADNYKO-UHFFFAOYSA-N 1 2 252.720 3.141 20 30 CGEDLO N#CCCC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295821980 263182590 /nfs/dbraw/zinc/18/25/90/263182590.db2.gz XXUHKGUFADNYKO-UHFFFAOYSA-N 1 2 252.720 3.141 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298423209 263219344 /nfs/dbraw/zinc/21/93/44/263219344.db2.gz CCDWWEBMKYTYOS-AWEZNQCLSA-N 1 2 265.401 3.138 20 30 CGEDLO C[C@H](CC1CCCC1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328665885 263835444 /nfs/dbraw/zinc/83/54/44/263835444.db2.gz CHZNMWDTXDUDJT-YPMHNXCESA-N 1 2 275.396 3.440 20 30 CGEDLO C[C@H](CC1CCCC1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328665885 263835445 /nfs/dbraw/zinc/83/54/45/263835445.db2.gz CHZNMWDTXDUDJT-YPMHNXCESA-N 1 2 275.396 3.440 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000076738299 264343788 /nfs/dbraw/zinc/34/37/88/264343788.db2.gz VJKLSORCVAGMNM-UHFFFAOYSA-N 1 2 293.436 3.056 20 30 CGEDLO C=CCCC[N@H+](C)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000076738299 264343791 /nfs/dbraw/zinc/34/37/91/264343791.db2.gz VJKLSORCVAGMNM-UHFFFAOYSA-N 1 2 293.436 3.056 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524593870 270113354 /nfs/dbraw/zinc/11/33/54/270113354.db2.gz VKGGBMYUQZSWSF-AWEZNQCLSA-N 1 2 298.308 3.102 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524593870 270113355 /nfs/dbraw/zinc/11/33/55/270113355.db2.gz VKGGBMYUQZSWSF-AWEZNQCLSA-N 1 2 298.308 3.102 20 30 CGEDLO C=C(C[NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000367613228 267104954 /nfs/dbraw/zinc/10/49/54/267104954.db2.gz BXRVQZCVGNMLQE-HNNXBMFYSA-N 1 2 253.349 3.090 20 30 CGEDLO Cc1cc(NCCCCOCc2ccccc2)c(C#N)c[nH+]1 ZINC000399405295 267300372 /nfs/dbraw/zinc/30/03/72/267300372.db2.gz UACKODBMNYCNEJ-UHFFFAOYSA-N 1 2 295.386 3.093 20 30 CGEDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329160002 295378913 /nfs/dbraw/zinc/37/89/13/295378913.db2.gz FADSZJFSAZXAOU-FPMFFAJLSA-N 1 2 261.369 3.473 20 30 CGEDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329160002 295378915 /nfs/dbraw/zinc/37/89/15/295378915.db2.gz FADSZJFSAZXAOU-FPMFFAJLSA-N 1 2 261.369 3.473 20 30 CGEDLO N#Cc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000125345570 303190778 /nfs/dbraw/zinc/19/07/78/303190778.db2.gz MQXLDSBIXNDTCF-CYBMUJFWSA-N 1 2 272.377 3.070 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000563366154 328059568 /nfs/dbraw/zinc/05/95/68/328059568.db2.gz HEQAFVHLQCLDSR-LSDHHAIUSA-N 1 2 287.407 3.221 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000563497651 328070595 /nfs/dbraw/zinc/07/05/95/328070595.db2.gz JPMZPVWEQPMPLO-UHFFFAOYSA-N 1 2 270.376 3.401 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000161036089 328120457 /nfs/dbraw/zinc/12/04/57/328120457.db2.gz VHWBVJRZGFAEJV-LSDHHAIUSA-N 1 2 261.365 3.235 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1c(F)cccc1F ZINC000264895006 328162546 /nfs/dbraw/zinc/16/25/46/328162546.db2.gz UMPJPFSUVOCJGY-MNOVXSKESA-N 1 2 263.291 3.059 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(SC(=O)N(C)C)c1 ZINC000267813494 328180486 /nfs/dbraw/zinc/18/04/86/328180486.db2.gz NICKEUHJGNVMSO-UHFFFAOYSA-N 1 2 291.420 3.196 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(SC(=O)N(C)C)c1 ZINC000267813494 328180487 /nfs/dbraw/zinc/18/04/87/328180487.db2.gz NICKEUHJGNVMSO-UHFFFAOYSA-N 1 2 291.420 3.196 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(OC)n1 ZINC000173549977 329149168 /nfs/dbraw/zinc/14/91/68/329149168.db2.gz XZMDGVLMPNVLLO-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(OC)n1 ZINC000173549977 329149170 /nfs/dbraw/zinc/14/91/70/329149170.db2.gz XZMDGVLMPNVLLO-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289026127 328253853 /nfs/dbraw/zinc/25/38/53/328253853.db2.gz ARMXVGJCRVHNOY-PGLGOXFNSA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289026127 328253855 /nfs/dbraw/zinc/25/38/55/328253855.db2.gz ARMXVGJCRVHNOY-PGLGOXFNSA-N 1 2 250.292 3.212 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)nc1 ZINC000566417802 322121622 /nfs/dbraw/zinc/12/16/22/322121622.db2.gz YVCQYXCYEYUQSG-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)nc1 ZINC000566417802 322121624 /nfs/dbraw/zinc/12/16/24/322121624.db2.gz YVCQYXCYEYUQSG-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO CC(C)(CCC#N)CNc1ccc2ccccc2[nH+]1 ZINC000340939696 328402662 /nfs/dbraw/zinc/40/26/62/328402662.db2.gz NOEHNGFVIYMWRX-UHFFFAOYSA-N 1 2 253.349 3.399 20 30 CGEDLO CCOc1cc(C[NH2+][C@H](CC)CC#N)c(F)cc1OC ZINC000529544627 328550779 /nfs/dbraw/zinc/55/07/79/328550779.db2.gz UEEVTCRONHTQDQ-GFCCVEGCSA-N 1 2 280.343 3.015 20 30 CGEDLO CCc1ccc([C@@H]2COCC[N@H+]2CCC(C)(C)C#N)o1 ZINC000119932989 327296424 /nfs/dbraw/zinc/29/64/24/327296424.db2.gz YNXPGNGICGCUPZ-AWEZNQCLSA-N 1 2 276.380 3.155 20 30 CGEDLO CCc1ccc([C@@H]2COCC[N@@H+]2CCC(C)(C)C#N)o1 ZINC000119932989 327296422 /nfs/dbraw/zinc/29/64/22/327296422.db2.gz YNXPGNGICGCUPZ-AWEZNQCLSA-N 1 2 276.380 3.155 20 30 CGEDLO COc1ccc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000168930736 329062128 /nfs/dbraw/zinc/06/21/28/329062128.db2.gz YTFRHBVHZRBPFV-UHFFFAOYSA-N 1 2 297.196 3.097 20 30 CGEDLO N#CCCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195052769 329690173 /nfs/dbraw/zinc/69/01/73/329690173.db2.gz ZPSAFSMSUBZPEO-CYBMUJFWSA-N 1 2 257.362 3.126 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000269089871 330067281 /nfs/dbraw/zinc/06/72/81/330067281.db2.gz JRMOSGXWUWOLLC-ZDUSSCGKSA-N 1 2 299.374 3.458 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000528029762 330305276 /nfs/dbraw/zinc/30/52/76/330305276.db2.gz LTICUAXHRIJZKW-UHFFFAOYSA-N 1 2 282.347 3.141 20 30 CGEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCC(C#N)CC1 ZINC000057908220 330380982 /nfs/dbraw/zinc/38/09/82/330380982.db2.gz HBKVYYRHZRLRGQ-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450858267 331003187 /nfs/dbraw/zinc/00/31/87/331003187.db2.gz LFMXIQNXLMRBSL-OIISXLGYSA-N 1 2 286.419 3.165 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450858267 331003188 /nfs/dbraw/zinc/00/31/88/331003188.db2.gz LFMXIQNXLMRBSL-OIISXLGYSA-N 1 2 286.419 3.165 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450858265 331003222 /nfs/dbraw/zinc/00/32/22/331003222.db2.gz LFMXIQNXLMRBSL-DJIMGWMZSA-N 1 2 286.419 3.165 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450858265 331003223 /nfs/dbraw/zinc/00/32/23/331003223.db2.gz LFMXIQNXLMRBSL-DJIMGWMZSA-N 1 2 286.419 3.165 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450859151 331003306 /nfs/dbraw/zinc/00/33/06/331003306.db2.gz MGDFNAGMRIXOKE-DLBZAZTESA-N 1 2 286.419 3.258 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450859151 331003307 /nfs/dbraw/zinc/00/33/07/331003307.db2.gz MGDFNAGMRIXOKE-DLBZAZTESA-N 1 2 286.419 3.258 20 30 CGEDLO COC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000451038932 331013136 /nfs/dbraw/zinc/01/31/36/331013136.db2.gz WIACUTZCAATHJF-AWEZNQCLSA-N 1 2 278.783 3.311 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000451245712 331021769 /nfs/dbraw/zinc/02/17/69/331021769.db2.gz ITKKYXOSIJLDRQ-UHFFFAOYSA-N 1 2 286.379 3.170 20 30 CGEDLO C=CCOc1ccccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333853 331062571 /nfs/dbraw/zinc/06/25/71/331062571.db2.gz KXOTVDRASRJETJ-UHFFFAOYSA-N 1 2 297.358 3.037 20 30 CGEDLO C=CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CCCC1 ZINC000456347444 331190467 /nfs/dbraw/zinc/19/04/67/331190467.db2.gz JVJLTKMZIJFKCA-ZDUSSCGKSA-N 1 2 275.396 3.217 20 30 CGEDLO C=C(CC)CNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000459076455 331269377 /nfs/dbraw/zinc/26/93/77/331269377.db2.gz ASGGVVIYFDBFCE-AWEZNQCLSA-N 1 2 290.411 3.106 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cccc(O)c1Br ZINC000459465920 331282987 /nfs/dbraw/zinc/28/29/87/331282987.db2.gz QKFBFGFEHNFYFX-UHFFFAOYSA-N 1 2 270.170 3.163 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cccc(O)c1Br ZINC000459465920 331282988 /nfs/dbraw/zinc/28/29/88/331282988.db2.gz QKFBFGFEHNFYFX-UHFFFAOYSA-N 1 2 270.170 3.163 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463237123 331343529 /nfs/dbraw/zinc/34/35/29/331343529.db2.gz KDXKTBTVEQNWNX-ILXRZTDVSA-N 1 2 294.439 3.416 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000491393428 332203256 /nfs/dbraw/zinc/20/32/56/332203256.db2.gz HOVXUMQINJAGNE-NVXWUHKLSA-N 1 2 296.414 3.041 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000491393428 332203257 /nfs/dbraw/zinc/20/32/57/332203257.db2.gz HOVXUMQINJAGNE-NVXWUHKLSA-N 1 2 296.414 3.041 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1 ZINC000491497736 332223755 /nfs/dbraw/zinc/22/37/55/332223755.db2.gz ZRAVZHYOOKRTRP-INIZCTEOSA-N 1 2 257.283 3.429 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccnc1)c1ccc(Cl)cc1F ZINC000491570193 332240742 /nfs/dbraw/zinc/24/07/42/332240742.db2.gz ZQNMPNFDPRWDAI-HNNXBMFYSA-N 1 2 274.726 3.338 20 30 CGEDLO C=C1CC[NH+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000517468794 333100155 /nfs/dbraw/zinc/10/01/55/333100155.db2.gz YSXKRRATWZIMJJ-LJQANCHMSA-N 1 2 298.430 3.214 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)NC1CCCCCC1 ZINC000524811438 333389189 /nfs/dbraw/zinc/38/91/89/333389189.db2.gz JXBAKPDFADCYEH-UHFFFAOYSA-N 1 2 293.455 3.087 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)NC1CCCCCC1 ZINC000524811438 333389190 /nfs/dbraw/zinc/38/91/90/333389190.db2.gz JXBAKPDFADCYEH-UHFFFAOYSA-N 1 2 293.455 3.087 20 30 CGEDLO CCC(C#N)(CC)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000528957631 333466441 /nfs/dbraw/zinc/46/64/41/333466441.db2.gz JXLZEZDNCPXBOQ-UHFFFAOYSA-N 1 2 296.374 3.023 20 30 CGEDLO COc1c(C)cc(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC000545928088 334007186 /nfs/dbraw/zinc/00/71/86/334007186.db2.gz WCTDRMPFFIARNB-UHFFFAOYSA-N 1 2 281.359 3.385 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000133113041 334017457 /nfs/dbraw/zinc/01/74/57/334017457.db2.gz HJHYLHYKDHNIGQ-UHFFFAOYSA-N 1 2 273.336 3.120 20 30 CGEDLO CC#CCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000549114149 334185548 /nfs/dbraw/zinc/18/55/48/334185548.db2.gz UQNMJKDDNDIDOE-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO CC#CCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000549114149 334185549 /nfs/dbraw/zinc/18/55/49/334185549.db2.gz UQNMJKDDNDIDOE-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1Cl ZINC000577073647 335295696 /nfs/dbraw/zinc/29/56/96/335295696.db2.gz QMHQFPHXCHJIAY-LLVKDONJSA-N 1 2 252.745 3.130 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ccccc1Br ZINC000195002827 336042562 /nfs/dbraw/zinc/04/25/62/336042562.db2.gz RLXFRCPDLRHFMX-UHFFFAOYSA-N 1 2 284.197 3.084 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ccccc1Br ZINC000195002827 336042564 /nfs/dbraw/zinc/04/25/64/336042564.db2.gz RLXFRCPDLRHFMX-UHFFFAOYSA-N 1 2 284.197 3.084 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000581437101 336077849 /nfs/dbraw/zinc/07/78/49/336077849.db2.gz ARJLHRJYGZXACP-NEPJUHHUSA-N 1 2 291.420 3.017 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000581484580 336087329 /nfs/dbraw/zinc/08/73/29/336087329.db2.gz RRVJGVKBIGMRQV-UHFFFAOYSA-N 1 2 271.364 3.423 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000384922456 336134459 /nfs/dbraw/zinc/13/44/59/336134459.db2.gz FROQBAYNFDZBKV-CQSZACIVSA-N 1 2 261.365 3.093 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428218214 534059476 /nfs/dbraw/zinc/05/94/76/534059476.db2.gz BAIBCAZXOBHKJP-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428218214 534059482 /nfs/dbraw/zinc/05/94/82/534059482.db2.gz BAIBCAZXOBHKJP-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)sc2C1 ZINC000350467024 534269777 /nfs/dbraw/zinc/26/97/77/534269777.db2.gz ZEHWLMFTWSVELF-UTUOFQBUSA-N 1 2 275.421 3.050 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3cc(C#N)ccc3C)n2c1 ZINC000354862036 534521571 /nfs/dbraw/zinc/52/15/71/534521571.db2.gz SPYROFNMGUOGQZ-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO Cc1nc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cs1 ZINC000358200506 534599974 /nfs/dbraw/zinc/59/99/74/534599974.db2.gz IKZZPDRPOGQIHF-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO Cc1csc(C(C)(C)[NH2+]Cc2cccc(F)c2C#N)n1 ZINC000428364516 534792999 /nfs/dbraw/zinc/79/29/99/534792999.db2.gz PYVVAHXZPCNNIQ-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C#N)CCC#N ZINC000352789548 526349596 /nfs/dbraw/zinc/34/95/96/526349596.db2.gz OSPWPTDRQOVGOW-HNNXBMFYSA-N 1 2 298.346 3.026 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C#N)CCC#N ZINC000352789548 526349603 /nfs/dbraw/zinc/34/96/03/526349603.db2.gz OSPWPTDRQOVGOW-HNNXBMFYSA-N 1 2 298.346 3.026 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ncc(C)o1 ZINC000352816025 526561340 /nfs/dbraw/zinc/56/13/40/526561340.db2.gz NUUZVKGMUHNSIA-CYBMUJFWSA-N 1 2 290.363 3.208 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ncc(C)o1 ZINC000352816025 526561342 /nfs/dbraw/zinc/56/13/42/526561342.db2.gz NUUZVKGMUHNSIA-CYBMUJFWSA-N 1 2 290.363 3.208 20 30 CGEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)cc(Cl)c1OC ZINC000352097737 528259803 /nfs/dbraw/zinc/25/98/03/528259803.db2.gz VXOFBKZOLSVWBP-LLVKDONJSA-N 1 2 296.798 3.339 20 30 CGEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(Cl)c1OC ZINC000352097737 528259811 /nfs/dbraw/zinc/25/98/11/528259811.db2.gz VXOFBKZOLSVWBP-LLVKDONJSA-N 1 2 296.798 3.339 20 30 CGEDLO CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C[C@@H](C)C#N ZINC000352102872 528755166 /nfs/dbraw/zinc/75/51/66/528755166.db2.gz UFJYXYFIGVDCDG-LBPRGKRZSA-N 1 2 276.428 3.237 20 30 CGEDLO CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C[C@@H](C)C#N ZINC000352102872 528755168 /nfs/dbraw/zinc/75/51/68/528755168.db2.gz UFJYXYFIGVDCDG-LBPRGKRZSA-N 1 2 276.428 3.237 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C\c1c(O)cccc1OC ZINC000727653249 571761003 /nfs/dbraw/zinc/76/10/03/571761003.db2.gz IRBCQSRPLKPTNL-UYRXBGFRSA-N 1 2 299.370 3.461 20 30 CGEDLO Oc1ccc(/C=[NH+]\C2CC(c3ccccc3)C2)c(O)c1O ZINC000728226495 571796227 /nfs/dbraw/zinc/79/62/27/571796227.db2.gz QSNPQVCFZKBODK-ZDLGFXPLSA-N 1 2 283.327 3.169 20 30 CGEDLO Cc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147528 571951068 /nfs/dbraw/zinc/95/10/68/571951068.db2.gz POMGNWJVXVFBSF-UHFFFAOYSA-N 1 2 261.328 3.411 20 30 CGEDLO CCCn1cccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730146514 571951184 /nfs/dbraw/zinc/95/11/84/571951184.db2.gz ZJJPMLXDXFAKHL-UHFFFAOYSA-N 1 2 278.359 3.314 20 30 CGEDLO Fc1cccc(C=NNc2cc[nH+]c3ccccc23)c1F ZINC000730732549 572372090 /nfs/dbraw/zinc/37/20/90/572372090.db2.gz KVDIWDOSDPFBHG-UHFFFAOYSA-N 1 2 283.281 3.381 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cn1ncn(CC)c1=S ZINC000739883744 572425997 /nfs/dbraw/zinc/42/59/97/572425997.db2.gz DBXBOHPLVQKIFO-UHFFFAOYSA-N 1 2 268.430 3.070 20 30 CGEDLO C=CCCCCC[N@H+](C)Cn1ncn(CC)c1=S ZINC000739883744 572425999 /nfs/dbraw/zinc/42/59/99/572425999.db2.gz DBXBOHPLVQKIFO-UHFFFAOYSA-N 1 2 268.430 3.070 20 30 CGEDLO Cc1cccc2nc(C[N@@H+](CCC#N)CC(C)C)cn21 ZINC000739915902 572427202 /nfs/dbraw/zinc/42/72/02/572427202.db2.gz UALSQPFLAZUDCB-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1cccc2nc(C[N@H+](CCC#N)CC(C)C)cn21 ZINC000739915902 572427203 /nfs/dbraw/zinc/42/72/03/572427203.db2.gz UALSQPFLAZUDCB-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1cccc2[nH+]c(CN(CCC#N)CC(C)C)cn21 ZINC000739915902 572427207 /nfs/dbraw/zinc/42/72/07/572427207.db2.gz UALSQPFLAZUDCB-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2C[C@@H]2C2CCCCC2)c1O ZINC000741463729 572499466 /nfs/dbraw/zinc/49/94/66/572499466.db2.gz HZAKUOBJFMBXSH-DPOBWDHUSA-N 1 2 259.349 3.486 20 30 CGEDLO C[C@]1(C/[NH+]=C/c2c(O)ccc3ccccc32)CCOC1 ZINC000733080941 572507034 /nfs/dbraw/zinc/50/70/34/572507034.db2.gz HEIPRYNQXRURJV-HJSBDDGSSA-N 1 2 269.344 3.391 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)OCCC ZINC000741782446 572526970 /nfs/dbraw/zinc/52/69/70/572526970.db2.gz PMCSAVZPMGETEN-AWEZNQCLSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)OCCC ZINC000741782446 572526975 /nfs/dbraw/zinc/52/69/75/572526975.db2.gz PMCSAVZPMGETEN-AWEZNQCLSA-N 1 2 291.391 3.025 20 30 CGEDLO C#CC[NH+]1CCN(C(=O)CCCCCCCCCC)CC1 ZINC000744422415 572751551 /nfs/dbraw/zinc/75/15/51/572751551.db2.gz NYNKBMFHDZHIPX-UHFFFAOYSA-N 1 2 292.467 3.295 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1c2ccccc2n(CCC)c1=O ZINC000736589200 572800519 /nfs/dbraw/zinc/80/05/19/572800519.db2.gz DEJSLMKKYHXUAN-UHFFFAOYSA-N 1 2 287.407 3.069 20 30 CGEDLO C=CCCC[N@H+](C)Cn1c2ccccc2n(CCC)c1=O ZINC000736589200 572800523 /nfs/dbraw/zinc/80/05/23/572800523.db2.gz DEJSLMKKYHXUAN-UHFFFAOYSA-N 1 2 287.407 3.069 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC000745976960 572845953 /nfs/dbraw/zinc/84/59/53/572845953.db2.gz POPHAPQJZXUQNF-HVVZCKNESA-N 1 2 291.391 3.413 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ccc(F)cc1Br ZINC000746457830 572873031 /nfs/dbraw/zinc/87/30/31/572873031.db2.gz RHXFLIQPCNXJHE-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO C#CC[N@H+](CC)Cc1ccc(F)cc1Br ZINC000746457830 572873033 /nfs/dbraw/zinc/87/30/33/572873033.db2.gz RHXFLIQPCNXJHE-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccnn1C1CCC1 ZINC000899397710 620690463 /nfs/dbraw/zinc/69/04/63/620690463.db2.gz UPARIZXPSRIYPO-SREVYHEPSA-N 1 2 284.363 3.282 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000981226180 613373256 /nfs/dbraw/zinc/37/32/56/613373256.db2.gz ZRMIOGSLLCSHSV-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000981226180 613373257 /nfs/dbraw/zinc/37/32/57/613373257.db2.gz ZRMIOGSLLCSHSV-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651343 613373492 /nfs/dbraw/zinc/37/34/92/613373492.db2.gz HOKFYEDQQCTGPE-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651343 613373493 /nfs/dbraw/zinc/37/34/93/613373493.db2.gz HOKFYEDQQCTGPE-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO O=C1c2cccc(F)c2OC/C1=C/c1cccc2[nH+]ccn21 ZINC000254967497 617696420 /nfs/dbraw/zinc/69/64/20/617696420.db2.gz UYGVVYALMCESHT-LUAWRHEFSA-N 1 2 294.285 3.132 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccco3)n2c1 ZINC000254991875 617718977 /nfs/dbraw/zinc/71/89/77/617718977.db2.gz VGAHGSULGHMUID-WAYWQWQTSA-N 1 2 252.273 3.132 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000890890459 617892604 /nfs/dbraw/zinc/89/26/04/617892604.db2.gz VHUILWZMWVZZLD-AWEZNQCLSA-N 1 2 281.359 3.117 20 30 CGEDLO CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(C#N)c1O ZINC000926120151 618107077 /nfs/dbraw/zinc/10/70/77/618107077.db2.gz BGYPEQBCOPIIKD-ZBFHGGJFSA-N 1 2 288.391 3.264 20 30 CGEDLO Cc1nsc(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933772292 618324342 /nfs/dbraw/zinc/32/43/42/618324342.db2.gz OKBFDOZGFDEDLA-UHFFFAOYSA-N 1 2 277.418 3.325 20 30 CGEDLO Cc1nsc(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933772292 618324351 /nfs/dbraw/zinc/32/43/51/618324351.db2.gz OKBFDOZGFDEDLA-UHFFFAOYSA-N 1 2 277.418 3.325 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000892022024 618492013 /nfs/dbraw/zinc/49/20/13/618492013.db2.gz RJODQJKGVPAZSY-KRWDZBQOSA-N 1 2 298.411 3.367 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000892022024 618492020 /nfs/dbraw/zinc/49/20/20/618492020.db2.gz RJODQJKGVPAZSY-KRWDZBQOSA-N 1 2 298.411 3.367 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472811 618628597 /nfs/dbraw/zinc/62/85/97/618628597.db2.gz VGRCOAVEKMXJMQ-PWSUYJOCSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472811 618628600 /nfs/dbraw/zinc/62/86/00/618628600.db2.gz VGRCOAVEKMXJMQ-PWSUYJOCSA-N 1 2 296.773 3.457 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccs1 ZINC000180307809 618873541 /nfs/dbraw/zinc/87/35/41/618873541.db2.gz DRGCWBNXZMWHAZ-VOTSOKGWSA-N 1 2 254.314 3.292 20 30 CGEDLO Cc1ccoc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000180319308 618874239 /nfs/dbraw/zinc/87/42/39/618874239.db2.gz KHODTWGFUFRHBK-AATRIKPKSA-N 1 2 252.273 3.132 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccccc1C(F)(F)F ZINC000082032544 625319524 /nfs/dbraw/zinc/31/95/24/625319524.db2.gz BUOCPAVEXRHEHI-AATRIKPKSA-N 1 2 266.222 3.325 20 30 CGEDLO C=C[C@@H](Cc1ccccc1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000893450105 619177974 /nfs/dbraw/zinc/17/79/74/619177974.db2.gz JDULVYKAPUJVFL-ZBFHGGJFSA-N 1 2 284.359 3.175 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000093872265 619218718 /nfs/dbraw/zinc/21/87/18/619218718.db2.gz SBGIMZQMPZFVOW-MSOLQXFVSA-N 1 2 291.354 3.423 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000093872265 619218720 /nfs/dbraw/zinc/21/87/20/619218720.db2.gz SBGIMZQMPZFVOW-MSOLQXFVSA-N 1 2 291.354 3.423 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000894003317 619350296 /nfs/dbraw/zinc/35/02/96/619350296.db2.gz IVAVUBDNPZGUOK-UHFFFAOYSA-N 1 2 282.334 3.432 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000894003317 619350300 /nfs/dbraw/zinc/35/03/00/619350300.db2.gz IVAVUBDNPZGUOK-UHFFFAOYSA-N 1 2 282.334 3.432 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)cc1 ZINC000894575390 619579868 /nfs/dbraw/zinc/57/98/68/619579868.db2.gz RCXDOXVPQGDSMN-SFHVURJKSA-N 1 2 297.377 3.286 20 30 CGEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)CC2(CCCC2)O1 ZINC000895126721 619742965 /nfs/dbraw/zinc/74/29/65/619742965.db2.gz ZQBJZXGBALTRFU-LBPRGKRZSA-N 1 2 276.405 3.153 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CC2(CCCC2)O1 ZINC000895126721 619742968 /nfs/dbraw/zinc/74/29/68/619742968.db2.gz ZQBJZXGBALTRFU-LBPRGKRZSA-N 1 2 276.405 3.153 20 30 CGEDLO C#CC[C@H]1CC[N@@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895562198 619850232 /nfs/dbraw/zinc/85/02/32/619850232.db2.gz BMGGQDVZBARYMA-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@H]1CC[N@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895562198 619850234 /nfs/dbraw/zinc/85/02/34/619850234.db2.gz BMGGQDVZBARYMA-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)n1 ZINC000895690688 619871057 /nfs/dbraw/zinc/87/10/57/619871057.db2.gz KGGCWOXPKOYHFF-IRXDYDNUSA-N 1 2 281.334 3.068 20 30 CGEDLO CCn1nc(C)c(C[N@H+](C)Cc2csc(C#N)c2)c1C ZINC000895693290 619871721 /nfs/dbraw/zinc/87/17/21/619871721.db2.gz XEUQLXLZKNZCTE-UHFFFAOYSA-N 1 2 288.420 3.085 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](C)Cc2csc(C#N)c2)c1C ZINC000895693290 619871723 /nfs/dbraw/zinc/87/17/23/619871723.db2.gz XEUQLXLZKNZCTE-UHFFFAOYSA-N 1 2 288.420 3.085 20 30 CGEDLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896501475 620017789 /nfs/dbraw/zinc/01/77/89/620017789.db2.gz AKMADJUKAZWGBV-KMPOOHAWSA-N 1 2 284.403 3.472 20 30 CGEDLO COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896501475 620017792 /nfs/dbraw/zinc/01/77/92/620017792.db2.gz AKMADJUKAZWGBV-KMPOOHAWSA-N 1 2 284.403 3.472 20 30 CGEDLO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc2O1 ZINC000896502397 620018528 /nfs/dbraw/zinc/01/85/28/620018528.db2.gz KDNUSIPBUQCXSR-AWEZNQCLSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc2O1 ZINC000896502397 620018529 /nfs/dbraw/zinc/01/85/29/620018529.db2.gz KDNUSIPBUQCXSR-AWEZNQCLSA-N 1 2 270.376 3.136 20 30 CGEDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896506303 620018811 /nfs/dbraw/zinc/01/88/11/620018811.db2.gz ROQWTPONERABGK-WMHVBEDNSA-N 1 2 269.392 3.001 20 30 CGEDLO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896506303 620018816 /nfs/dbraw/zinc/01/88/16/620018816.db2.gz ROQWTPONERABGK-WMHVBEDNSA-N 1 2 269.392 3.001 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCC2CCOCC2)c1 ZINC000840707720 620090787 /nfs/dbraw/zinc/09/07/87/620090787.db2.gz RLBXPSMYRVLGTE-QGOAFFKASA-N 1 2 291.391 3.417 20 30 CGEDLO C=C1CC(C)(c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)C1 ZINC000896912583 620097162 /nfs/dbraw/zinc/09/71/62/620097162.db2.gz AXPBXYFVKXQFKH-UHFFFAOYSA-N 1 2 294.358 3.224 20 30 CGEDLO CCC[C@@H](CCO)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925186983 620221502 /nfs/dbraw/zinc/22/15/02/620221502.db2.gz UWAJBEIZRJGYDE-XJKSGUPXSA-N 1 2 290.407 3.103 20 30 CGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(N2CCCCC2)cc1 ZINC000901428141 620884029 /nfs/dbraw/zinc/88/40/29/620884029.db2.gz DSJDHINZYXMINP-MDZDMXLPSA-N 1 2 295.386 3.307 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)sc1C ZINC000901430887 620886544 /nfs/dbraw/zinc/88/65/44/620886544.db2.gz NCXHRNZXSZXSKA-WAYWQWQTSA-N 1 2 260.362 3.477 20 30 CGEDLO Cc1cccc2c1[C@@H](C)/C(=C\c1c[nH+]cn1C)C2=O ZINC000901488398 620898348 /nfs/dbraw/zinc/89/83/48/620898348.db2.gz KCPDXVVKSFMPLI-NGPAHMQLSA-N 1 2 252.317 3.112 20 30 CGEDLO Cc1cncc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901490851 620898931 /nfs/dbraw/zinc/89/89/31/620898931.db2.gz PNUNRPPMNKGORE-PLNGDYQASA-N 1 2 255.321 3.064 20 30 CGEDLO CCc1cccc2c1OC/C(=C/c1c[nH+]cn1CC)C2=O ZINC000901507008 620905285 /nfs/dbraw/zinc/90/52/85/620905285.db2.gz RKKUFCPDIODKAX-JYRVWZFOSA-N 1 2 282.343 3.124 20 30 CGEDLO CCN(CC)c1ccc(N[C@@H](C)c2cc(C#N)ccn2)c[nH+]1 ZINC000902921316 621491952 /nfs/dbraw/zinc/49/19/52/621491952.db2.gz UDOKGYFPQSQOEO-ZDUSSCGKSA-N 1 2 295.390 3.368 20 30 CGEDLO C=C1CCC(c2nc(-c3c[nH+]c(N)cc3C)no2)CC1 ZINC000904264860 621894592 /nfs/dbraw/zinc/89/45/92/621894592.db2.gz AUSFRDULRLKQMD-UHFFFAOYSA-N 1 2 270.336 3.236 20 30 CGEDLO Oc1ccccc1/C=N/Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063427627 623323920 /nfs/dbraw/zinc/32/39/20/623323920.db2.gz JMDXYGQHLLAFAL-RGVLZGJSSA-N 1 2 295.317 3.336 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753586818 623437217 /nfs/dbraw/zinc/43/72/17/623437217.db2.gz JRIAJPOMDUXKAC-YOEHRIQHSA-N 1 2 283.375 3.103 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753586818 623437221 /nfs/dbraw/zinc/43/72/21/623437221.db2.gz JRIAJPOMDUXKAC-YOEHRIQHSA-N 1 2 283.375 3.103 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](CC)CC2)c1=S ZINC000153317722 623849102 /nfs/dbraw/zinc/84/91/02/623849102.db2.gz UBUPAIMVEURGJS-CQSZACIVSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](CC)CC2)c1=S ZINC000153317722 623849103 /nfs/dbraw/zinc/84/91/03/623849103.db2.gz UBUPAIMVEURGJS-CQSZACIVSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](CC)CC2)c1=S ZINC000153317836 623849785 /nfs/dbraw/zinc/84/97/85/623849785.db2.gz UBUPAIMVEURGJS-AWEZNQCLSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](CC)CC2)c1=S ZINC000153317836 623849786 /nfs/dbraw/zinc/84/97/86/623849786.db2.gz UBUPAIMVEURGJS-AWEZNQCLSA-N 1 2 294.468 3.378 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993698263 624058796 /nfs/dbraw/zinc/05/87/96/624058796.db2.gz ZLASAHGYJULHDZ-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993698263 624058799 /nfs/dbraw/zinc/05/87/99/624058799.db2.gz ZLASAHGYJULHDZ-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1ccc(N)cc1 ZINC000916540396 624171089 /nfs/dbraw/zinc/17/10/89/624171089.db2.gz UUUGGRCNJXJWGQ-UHFFFAOYSA-N 1 2 261.275 3.383 20 30 CGEDLO O=C(C#Cc1ccccc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175082772 624612415 /nfs/dbraw/zinc/61/24/15/624612415.db2.gz DCLONSIOUQJERG-UHFFFAOYSA-N 1 2 287.322 3.067 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c(O)c1 ZINC000180315648 624737287 /nfs/dbraw/zinc/73/72/87/624737287.db2.gz VYACNLDDKXTMMF-SOFGYWHQSA-N 1 2 278.311 3.244 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921656218 625810317 /nfs/dbraw/zinc/81/03/17/625810317.db2.gz RGFBOVBJWGJUOK-GFCCVEGCSA-N 1 2 282.347 3.182 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000922052451 625967966 /nfs/dbraw/zinc/96/79/66/625967966.db2.gz CHLNTAFGZKEAOD-NXEZZACHSA-N 1 2 289.408 3.102 20 30 CGEDLO C#Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000922167567 625978309 /nfs/dbraw/zinc/97/83/09/625978309.db2.gz FBLGFNPRMVZEJL-UHFFFAOYSA-N 1 2 268.360 3.243 20 30 CGEDLO C#CC[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138881 626322594 /nfs/dbraw/zinc/32/25/94/626322594.db2.gz VVLBFDAWVUBREE-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO C#CC[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138881 626322595 /nfs/dbraw/zinc/32/25/95/626322595.db2.gz VVLBFDAWVUBREE-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO NC(=[NH+]OCCCCC(F)(F)F)c1ccc(F)cc1 ZINC000752762816 626438357 /nfs/dbraw/zinc/43/83/57/626438357.db2.gz XPXIBCOTSBQUFY-UHFFFAOYSA-N 1 2 278.249 3.195 20 30 CGEDLO C=CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000757922853 626814816 /nfs/dbraw/zinc/81/48/16/626814816.db2.gz GKHQSENFSULJLB-UHFFFAOYSA-N 1 2 255.720 3.335 20 30 CGEDLO C=CC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000757922853 626814817 /nfs/dbraw/zinc/81/48/17/626814817.db2.gz GKHQSENFSULJLB-UHFFFAOYSA-N 1 2 255.720 3.335 20 30 CGEDLO C#CCCCCCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000760256586 626948631 /nfs/dbraw/zinc/94/86/31/626948631.db2.gz HBLRMUVYKQLIGK-MRXNPFEDSA-N 1 2 299.414 3.170 20 30 CGEDLO C#CCCCCCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000760256586 626948635 /nfs/dbraw/zinc/94/86/35/626948635.db2.gz HBLRMUVYKQLIGK-MRXNPFEDSA-N 1 2 299.414 3.170 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccccc2C)n1)C(C)C ZINC000760814707 626993043 /nfs/dbraw/zinc/99/30/43/626993043.db2.gz ZWHXUQXNPOPNBI-UHFFFAOYSA-N 1 2 271.364 3.441 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccccc2C)n1)C(C)C ZINC000760814707 626993048 /nfs/dbraw/zinc/99/30/48/626993048.db2.gz ZWHXUQXNPOPNBI-UHFFFAOYSA-N 1 2 271.364 3.441 20 30 CGEDLO C#CCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000760842996 626995626 /nfs/dbraw/zinc/99/56/26/626995626.db2.gz HFEHXWCQBQBMMW-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO C#CCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000760842996 626995630 /nfs/dbraw/zinc/99/56/30/626995630.db2.gz HFEHXWCQBQBMMW-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(Cl)c(Cl)c1 ZINC000790300995 627004921 /nfs/dbraw/zinc/00/49/21/627004921.db2.gz AKDSPHBQFZHMFC-UHFFFAOYSA-N 1 2 269.135 3.173 20 30 CGEDLO Cc1cc(Cl)cc(C)c1C=NNc1[nH+]ccn1C ZINC000790302164 627009608 /nfs/dbraw/zinc/00/96/08/627009608.db2.gz OAXIPPYXBZWTNF-UHFFFAOYSA-N 1 2 262.744 3.136 20 30 CGEDLO COc1cc(F)ccc1N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000761889557 627072100 /nfs/dbraw/zinc/07/21/00/627072100.db2.gz FIPBNMQZWZODGZ-UHFFFAOYSA-N 1 2 287.338 3.346 20 30 CGEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)CCO2 ZINC000763116577 627140788 /nfs/dbraw/zinc/14/07/88/627140788.db2.gz KTAMXOYCVPPYSJ-XFXZXTDPSA-N 1 2 268.316 3.075 20 30 CGEDLO C#CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000763267975 627147700 /nfs/dbraw/zinc/14/77/00/627147700.db2.gz OXEXENRNKCXQNG-MRXNPFEDSA-N 1 2 296.370 3.467 20 30 CGEDLO C#CC[N@H+](Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000764676688 627217653 /nfs/dbraw/zinc/21/76/53/627217653.db2.gz NJSOPSJDDLQVLA-UHFFFAOYSA-N 1 2 260.406 3.398 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(C2CCCC2)s1)C1CC1 ZINC000764676688 627217657 /nfs/dbraw/zinc/21/76/57/627217657.db2.gz NJSOPSJDDLQVLA-UHFFFAOYSA-N 1 2 260.406 3.398 20 30 CGEDLO CC#CCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767663993 627425598 /nfs/dbraw/zinc/42/55/98/627425598.db2.gz IWQQENBLHOLOTI-UHFFFAOYSA-N 1 2 282.343 3.109 20 30 CGEDLO NC(=[NH+]OCc1cc2ccccc2o1)c1ccc(F)cc1 ZINC000767825046 627439438 /nfs/dbraw/zinc/43/94/38/627439438.db2.gz RDTHJTYWDAEOKU-UHFFFAOYSA-N 1 2 284.290 3.409 20 30 CGEDLO Fc1cc(F)cc(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771099062 627683290 /nfs/dbraw/zinc/68/32/90/627683290.db2.gz WBOJZZHSIWOWOY-UHFFFAOYSA-N 1 2 272.258 3.059 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@H]1CCCO1 ZINC000775794510 628137266 /nfs/dbraw/zinc/13/72/66/628137266.db2.gz QYTLILPMLQPRHN-LSDHHAIUSA-N 1 2 290.432 3.071 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000775794502 628137674 /nfs/dbraw/zinc/13/76/74/628137674.db2.gz QYTLILPMLQPRHN-CABCVRRESA-N 1 2 290.432 3.071 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(CF)cc2)cc1 ZINC000777539396 628280182 /nfs/dbraw/zinc/28/01/82/628280182.db2.gz FRNCFKFVACWSMJ-UHFFFAOYSA-N 1 2 288.322 3.002 20 30 CGEDLO CC1(C)CCC[C@H]1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000782285736 628633400 /nfs/dbraw/zinc/63/34/00/628633400.db2.gz CWUWZNKKOUPYHH-CQSZACIVSA-N 1 2 288.420 3.436 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000783223530 628689483 /nfs/dbraw/zinc/68/94/83/628689483.db2.gz NJWZITFQTPAATJ-QGZVFWFLSA-N 1 2 288.354 3.161 20 30 CGEDLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000783292121 628699317 /nfs/dbraw/zinc/69/93/17/628699317.db2.gz XCZZDZLEUBCDJL-JQWIXIFHSA-N 1 2 284.338 3.208 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(O)c3)c[nH+]c12 ZINC000125296932 634679176 /nfs/dbraw/zinc/67/91/76/634679176.db2.gz DLIXZEKOKKZJAG-BQYQJAHWSA-N 1 2 278.311 3.244 20 30 CGEDLO C#CC[N@@H+](Cc1cccnc1OC)[C@H]1CCc2ccccc21 ZINC000785661884 628877784 /nfs/dbraw/zinc/87/77/84/628877784.db2.gz YCSWRZNWDLSXEX-SFHVURJKSA-N 1 2 292.382 3.213 20 30 CGEDLO C#CC[N@H+](Cc1cccnc1OC)[C@H]1CCc2ccccc21 ZINC000785661884 628877786 /nfs/dbraw/zinc/87/77/86/628877786.db2.gz YCSWRZNWDLSXEX-SFHVURJKSA-N 1 2 292.382 3.213 20 30 CGEDLO Cc1ccc2[nH]c3c(c2c1)CC(=[NH+]n1cccn1)CC3 ZINC000863164359 629487681 /nfs/dbraw/zinc/48/76/81/629487681.db2.gz HSELIGPVABLPON-UHFFFAOYSA-N 1 2 264.332 3.066 20 30 CGEDLO CC1(C)C/C(=C\c2[nH]cc[nH+]2)C(=O)c2ccccc21 ZINC000794969952 629609747 /nfs/dbraw/zinc/60/97/47/629609747.db2.gz WGCABCSXIVKEJR-PKNBQFBNSA-N 1 2 252.317 3.357 20 30 CGEDLO CC(C)(C)OC(=O)CCCC/[NH+]=C/c1cccc(O)c1O ZINC000864346870 629815105 /nfs/dbraw/zinc/81/51/05/629815105.db2.gz FWZAXNCTQZRIAN-GZTJUZNOSA-N 1 2 293.363 3.029 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000120529294 630103170 /nfs/dbraw/zinc/10/31/70/630103170.db2.gz LTPMYIQJGFVHAJ-UHFFFAOYSA-N 1 2 284.359 3.394 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000120529294 630103176 /nfs/dbraw/zinc/10/31/76/630103176.db2.gz LTPMYIQJGFVHAJ-UHFFFAOYSA-N 1 2 284.359 3.394 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000807962057 630608906 /nfs/dbraw/zinc/60/89/06/630608906.db2.gz PXQXDAUVURRKAX-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO Nc1ccc(C=[NH+]OCc2ccc(C(F)(F)F)cc2)cn1 ZINC000807978828 630610329 /nfs/dbraw/zinc/61/03/29/630610329.db2.gz DWFMEZQEZYHQQG-UHFFFAOYSA-N 1 2 295.264 3.233 20 30 CGEDLO C(=NNCC1CCCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000808006092 630616204 /nfs/dbraw/zinc/61/62/04/630616204.db2.gz OQZSPAMBMHYPLT-UHFFFAOYSA-N 1 2 274.393 3.048 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000811590337 631088962 /nfs/dbraw/zinc/08/89/62/631088962.db2.gz XUGAYSJLXHFNDH-OAHLLOKOSA-N 1 2 289.423 3.088 20 30 CGEDLO Cc1cc(CNc2nc(Cl)c(C#N)s2)cc(C)[nH+]1 ZINC000817123375 632084906 /nfs/dbraw/zinc/08/49/06/632084906.db2.gz IHHUCWXMRAAERF-UHFFFAOYSA-N 1 2 278.768 3.292 20 30 CGEDLO C=C(Br)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000818186350 632295506 /nfs/dbraw/zinc/29/55/06/632295506.db2.gz JENAJVYSDLCZTL-UHFFFAOYSA-N 1 2 276.124 3.271 20 30 CGEDLO Nc1ccc(/C=C2\CSc3ccc(F)cc3C2=O)c[nH+]1 ZINC000821031328 632715039 /nfs/dbraw/zinc/71/50/39/632715039.db2.gz JDAARRQLHRQJFX-BJMVGYQFSA-N 1 2 286.331 3.175 20 30 CGEDLO Cc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866230780 633036418 /nfs/dbraw/zinc/03/64/18/633036418.db2.gz CJQHDYPVBQIACK-GFCCVEGCSA-N 1 2 270.332 3.059 20 30 CGEDLO CO[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866237797 633039606 /nfs/dbraw/zinc/03/96/06/633039606.db2.gz KDEUNMWNPKGFPI-CXAGYDPISA-N 1 2 296.370 3.302 20 30 CGEDLO C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866249537 633044589 /nfs/dbraw/zinc/04/45/89/633044589.db2.gz LCCIWPZRMSALEG-KGLIPLIRSA-N 1 2 296.370 3.382 20 30 CGEDLO Cc1cc(N[C@H]2Cc3ccc(C#N)cc3C2)nc(C2CC2)[nH+]1 ZINC000866260469 633048685 /nfs/dbraw/zinc/04/86/85/633048685.db2.gz KZBDTDXMVVWGIM-INIZCTEOSA-N 1 2 290.370 3.113 20 30 CGEDLO CCSCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866275477 633058415 /nfs/dbraw/zinc/05/84/15/633058415.db2.gz LAISXRUTIPZZBS-NWDGAFQWSA-N 1 2 278.421 3.446 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866307129 633075202 /nfs/dbraw/zinc/07/52/02/633075202.db2.gz RKADTUVDIJTHNT-JQWIXIFHSA-N 1 2 280.318 3.492 20 30 CGEDLO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866308890 633076178 /nfs/dbraw/zinc/07/61/78/633076178.db2.gz JDCBVSGFECMCMR-GHMZBOCLSA-N 1 2 299.374 3.323 20 30 CGEDLO C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(C#N)c1O ZINC000866363781 633102276 /nfs/dbraw/zinc/10/22/76/633102276.db2.gz OABGTWLCLXKGGF-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866385967 633114806 /nfs/dbraw/zinc/11/48/06/633114806.db2.gz USZLICHGCPIFMR-IUODEOHRSA-N 1 2 288.391 3.120 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000829527170 633746648 /nfs/dbraw/zinc/74/66/48/633746648.db2.gz ZBGZYEFCBMYROM-WBVHZDCISA-N 1 2 297.402 3.343 20 30 CGEDLO O=C1OCC[C@H]1CCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000871596942 633799817 /nfs/dbraw/zinc/79/98/17/633799817.db2.gz HSHSKAWPHDSLMH-VCRXTVNUSA-N 1 2 297.354 3.308 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000872139059 634062165 /nfs/dbraw/zinc/06/21/65/634062165.db2.gz DSTYPCTYTFCOII-UMVBOHGHSA-N 1 2 268.360 3.106 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CC)C(F)F)cc1 ZINC000834827020 634249021 /nfs/dbraw/zinc/24/90/21/634249021.db2.gz HHTMITOSIJRTBR-BXUZGUMPSA-N 1 2 267.319 3.393 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccco1 ZINC000834830272 634250396 /nfs/dbraw/zinc/25/03/96/634250396.db2.gz BDEAWVFOTYYOBV-STQMWFEESA-N 1 2 257.337 3.218 20 30 CGEDLO C[C@H]1CN(c2ccc([NH2+]C3CCC(C#N)CC3)cc2)CCO1 ZINC000876866745 634916635 /nfs/dbraw/zinc/91/66/35/634916635.db2.gz WNFMEJLCLMIBKW-FHERZECASA-N 1 2 299.418 3.406 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3nc(Cl)cs3)CC2)c1 ZINC000877116341 634989648 /nfs/dbraw/zinc/98/96/48/634989648.db2.gz NHAGAHMDMAOBGK-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)nc1Cl ZINC000878122392 635366637 /nfs/dbraw/zinc/36/66/37/635366637.db2.gz WYQZOPUYPRCYTP-UHFFFAOYSA-N 1 2 265.788 3.415 20 30 CGEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)C)nc1Cl ZINC000878122392 635366647 /nfs/dbraw/zinc/36/66/47/635366647.db2.gz WYQZOPUYPRCYTP-UHFFFAOYSA-N 1 2 265.788 3.415 20 30 CGEDLO COc1ccccc1[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000879630024 635822248 /nfs/dbraw/zinc/82/22/48/635822248.db2.gz DVRGKVLFFNPSJM-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccccc1[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000879630024 635822251 /nfs/dbraw/zinc/82/22/51/635822251.db2.gz DVRGKVLFFNPSJM-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO CC(C)(O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000879628321 635822392 /nfs/dbraw/zinc/82/23/92/635822392.db2.gz QJCCNCGEBJUKKO-UHFFFAOYSA-N 1 2 292.810 3.195 20 30 CGEDLO CCCCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844447543 635905903 /nfs/dbraw/zinc/90/59/03/635905903.db2.gz SWGVYIYNUCWOJH-CQSZACIVSA-N 1 2 265.401 3.311 20 30 CGEDLO CCCCCCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845447972 636036416 /nfs/dbraw/zinc/03/64/16/636036416.db2.gz TVIBCSQZPASYPG-UHFFFAOYSA-N 1 2 278.396 3.276 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C)CC#N)c2cc1C ZINC000129550589 636297915 /nfs/dbraw/zinc/29/79/15/636297915.db2.gz ARRNZMQLTNZMJV-ZDUSSCGKSA-N 1 2 284.359 3.144 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)CC#N)c2cc1C ZINC000129550589 636297920 /nfs/dbraw/zinc/29/79/20/636297920.db2.gz ARRNZMQLTNZMJV-ZDUSSCGKSA-N 1 2 284.359 3.144 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000847020890 636313912 /nfs/dbraw/zinc/31/39/12/636313912.db2.gz FPYBEJXUZLEQOK-ZDUSSCGKSA-N 1 2 285.366 3.041 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000847020890 636313915 /nfs/dbraw/zinc/31/39/15/636313915.db2.gz FPYBEJXUZLEQOK-ZDUSSCGKSA-N 1 2 285.366 3.041 20 30 CGEDLO c1cn(CCCNN=C2C[C@@H]3CCCc4cccc2c43)c[nH+]1 ZINC000848417653 636573149 /nfs/dbraw/zinc/57/31/49/636573149.db2.gz CNMQYCLLRDXAOO-HNNXBMFYSA-N 1 2 294.402 3.091 20 30 CGEDLO C#C[C@@H]1CCCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000848751699 636650624 /nfs/dbraw/zinc/65/06/24/636650624.db2.gz STELMGFEKRZMAX-CYBMUJFWSA-N 1 2 266.344 3.093 20 30 CGEDLO C#Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c(Cl)c1 ZINC000885670078 637281109 /nfs/dbraw/zinc/28/11/09/637281109.db2.gz RVMMWYOQZZBPNJ-CQSZACIVSA-N 1 2 290.794 3.133 20 30 CGEDLO C#Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c(Cl)c1 ZINC000885670078 637281118 /nfs/dbraw/zinc/28/11/18/637281118.db2.gz RVMMWYOQZZBPNJ-CQSZACIVSA-N 1 2 290.794 3.133 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000851207754 637304834 /nfs/dbraw/zinc/30/48/34/637304834.db2.gz HETLXISWMKFKFF-ZDUSSCGKSA-N 1 2 297.358 3.357 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(C)oc1C)c1ccccc1 ZINC000851903759 637539690 /nfs/dbraw/zinc/53/96/90/637539690.db2.gz WDEUQGSWKRCBDI-HNNXBMFYSA-N 1 2 254.333 3.146 20 30 CGEDLO CCc1ccc2c(C[N@@H+]3CC[C@](C)(C#N)C3)cc(=O)oc2c1 ZINC000852685550 637695339 /nfs/dbraw/zinc/69/53/39/637695339.db2.gz XONQMGHFDFPKJH-GOSISDBHSA-N 1 2 296.370 3.091 20 30 CGEDLO CCc1ccc2c(C[N@H+]3CC[C@](C)(C#N)C3)cc(=O)oc2c1 ZINC000852685550 637695343 /nfs/dbraw/zinc/69/53/43/637695343.db2.gz XONQMGHFDFPKJH-GOSISDBHSA-N 1 2 296.370 3.091 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCS1 ZINC000853441106 637844712 /nfs/dbraw/zinc/84/47/12/637844712.db2.gz RODMSFPESSHXPH-CYBMUJFWSA-N 1 2 276.405 3.181 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCOC(C)(C)C1 ZINC000853458874 637847926 /nfs/dbraw/zinc/84/79/26/637847926.db2.gz VXIQEGFPNVEKBM-CQSZACIVSA-N 1 2 288.391 3.243 20 30 CGEDLO CC(C)c1cn(C[N@@H+]2CCC[C@@H](CC#N)C2)c(=S)n1C ZINC000853525238 637861337 /nfs/dbraw/zinc/86/13/37/637861337.db2.gz UIGPRXLOOSUZKI-ZDUSSCGKSA-N 1 2 292.452 3.263 20 30 CGEDLO CC(C)c1cn(C[N@H+]2CCC[C@@H](CC#N)C2)c(=S)n1C ZINC000853525238 637861343 /nfs/dbraw/zinc/86/13/43/637861343.db2.gz UIGPRXLOOSUZKI-ZDUSSCGKSA-N 1 2 292.452 3.263 20 30 CGEDLO C=C1CC(C)(c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000924124873 638301798 /nfs/dbraw/zinc/30/17/98/638301798.db2.gz MTRYLNGYDOVGCR-CYBMUJFWSA-N 1 2 273.380 3.367 20 30 CGEDLO C=C1CC(C)(c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000924124873 638301805 /nfs/dbraw/zinc/30/18/05/638301805.db2.gz MTRYLNGYDOVGCR-CYBMUJFWSA-N 1 2 273.380 3.367 20 30 CGEDLO CC[C@H]([NH2+]CC(CC)(CC)CO)c1cccc(C#N)c1O ZINC000925619743 638546324 /nfs/dbraw/zinc/54/63/24/638546324.db2.gz ALRHQGLXWZQOQM-HNNXBMFYSA-N 1 2 290.407 3.103 20 30 CGEDLO N#CCC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857104 638582182 /nfs/dbraw/zinc/58/21/82/638582182.db2.gz AAKAZNHXDKYNOG-JKSUJKDBSA-N 1 2 280.375 3.422 20 30 CGEDLO CC[C@H]([NH2+]CCOC(C)(C)C)c1cccc(C#N)c1O ZINC000925777051 638608763 /nfs/dbraw/zinc/60/87/63/638608763.db2.gz CAAPKGRPRUJNPP-AWEZNQCLSA-N 1 2 276.380 3.120 20 30 CGEDLO CCCCCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000858113287 638633318 /nfs/dbraw/zinc/63/33/18/638633318.db2.gz GVYAQOMQZKUWAM-UHFFFAOYSA-N 1 2 277.412 3.468 20 30 CGEDLO CC[C@H]([NH2+]CCC(O)(CC)CC)c1cccc(C#N)c1O ZINC000926256589 638754677 /nfs/dbraw/zinc/75/46/77/638754677.db2.gz SZPJSWOVOMEODF-HNNXBMFYSA-N 1 2 290.407 3.246 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(F)(F)c1ccccc1 ZINC000926612893 638791037 /nfs/dbraw/zinc/79/10/37/638791037.db2.gz BFNOHQCDPWBIOE-SGMGOOAPSA-N 1 2 264.319 3.449 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3c2nccc3Cl)CCCC1 ZINC000926873581 638819791 /nfs/dbraw/zinc/81/97/91/638819791.db2.gz HENCOWCRTHWFLB-CYBMUJFWSA-N 1 2 275.783 3.396 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC000929830362 638955219 /nfs/dbraw/zinc/95/52/19/638955219.db2.gz DQIZJALHUMHEQM-SNVBAGLBSA-N 1 2 270.735 3.092 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC000929830362 638955221 /nfs/dbraw/zinc/95/52/21/638955221.db2.gz DQIZJALHUMHEQM-SNVBAGLBSA-N 1 2 270.735 3.092 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cccnc1C(F)(F)F ZINC000934515730 639624702 /nfs/dbraw/zinc/62/47/02/639624702.db2.gz RAMWJWXDODKRSQ-LBPRGKRZSA-N 1 2 268.282 3.088 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC000934515730 639624707 /nfs/dbraw/zinc/62/47/07/639624707.db2.gz RAMWJWXDODKRSQ-LBPRGKRZSA-N 1 2 268.282 3.088 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014547405 640974133 /nfs/dbraw/zinc/97/41/33/640974133.db2.gz YRKNUHCQTWJGKW-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014547405 640974135 /nfs/dbraw/zinc/97/41/35/640974135.db2.gz YRKNUHCQTWJGKW-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CCCCO3)c2c1 ZINC001156373276 805678382 /nfs/dbraw/zinc/67/83/82/805678382.db2.gz WAPWIALAIYAMJU-CQSZACIVSA-N 1 2 267.332 3.087 20 30 CGEDLO N#Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001250590987 805711041 /nfs/dbraw/zinc/71/10/41/805711041.db2.gz ZLDLHBXBFCSHIT-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)c1cccc(C#N)c1 ZINC001156873521 805744226 /nfs/dbraw/zinc/74/42/26/805744226.db2.gz OFGNGTHTKASPBS-LBPRGKRZSA-N 1 2 262.316 3.192 20 30 CGEDLO N#CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCCCCC1 ZINC001250972058 805811672 /nfs/dbraw/zinc/81/16/72/805811672.db2.gz ZORQTMLBYUPYJJ-CYBMUJFWSA-N 1 2 292.345 3.238 20 30 CGEDLO N#CCC[N@H+](C[C@@H](O)C(F)(F)F)C1CCCCCCC1 ZINC001250972058 805811680 /nfs/dbraw/zinc/81/16/80/805811680.db2.gz ZORQTMLBYUPYJJ-CYBMUJFWSA-N 1 2 292.345 3.238 20 30 CGEDLO CCCCCCCC[C@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC001252129900 806015115 /nfs/dbraw/zinc/01/51/15/806015115.db2.gz GQDOZTBVEMBWMP-INIZCTEOSA-N 1 2 284.488 3.124 20 30 CGEDLO CCCCCCCC[C@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001252129900 806015122 /nfs/dbraw/zinc/01/51/22/806015122.db2.gz GQDOZTBVEMBWMP-INIZCTEOSA-N 1 2 284.488 3.124 20 30 CGEDLO CC(C)c1ccc(C#N)c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161563198 806391645 /nfs/dbraw/zinc/39/16/45/806391645.db2.gz SBJFTUMBOIWOMM-UHFFFAOYSA-N 1 2 283.379 3.466 20 30 CGEDLO Cc1c[nH+]c(NC[C@H]2CCC(C)(C)C2)c(/C=N/O)c1 ZINC001162123709 806509196 /nfs/dbraw/zinc/50/91/96/806509196.db2.gz ZKYNDWLKEMHELY-NNLQFVHNSA-N 1 2 261.369 3.436 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001255154885 806554520 /nfs/dbraw/zinc/55/45/20/806554520.db2.gz LXBGMTPEGLBSKJ-STQMWFEESA-N 1 2 286.297 3.021 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCOc2c(F)cc(F)cc21 ZINC001255163358 806561906 /nfs/dbraw/zinc/56/19/06/806561906.db2.gz FVRVRLBVMJWCGU-GXFFZTMASA-N 1 2 266.291 3.070 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1COc2cc(Cl)ccc21 ZINC001255162669 806560820 /nfs/dbraw/zinc/56/08/20/806560820.db2.gz WESLNYGWPIIZRW-PWSUYJOCSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCOc2c(F)cc(F)cc21 ZINC001255163357 806561560 /nfs/dbraw/zinc/56/15/60/806561560.db2.gz FVRVRLBVMJWCGU-GWCFXTLKSA-N 1 2 266.291 3.070 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001255165182 806562787 /nfs/dbraw/zinc/56/27/87/806562787.db2.gz VDGYTPZPUDRLJU-UONOGXRCSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001255165182 806562793 /nfs/dbraw/zinc/56/27/93/806562793.db2.gz VDGYTPZPUDRLJU-UONOGXRCSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(F)c1OC ZINC001255164968 806563227 /nfs/dbraw/zinc/56/32/27/806563227.db2.gz RDGKFSDSKQLGHL-QWRGUYRKSA-N 1 2 250.317 3.177 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001255165387 806563334 /nfs/dbraw/zinc/56/33/34/806563334.db2.gz XHDDXMFLMIRHKP-MRXNPFEDSA-N 1 2 288.366 3.413 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001255175977 806571114 /nfs/dbraw/zinc/57/11/14/806571114.db2.gz UDGGTUACASFSPG-JKSUJKDBSA-N 1 2 283.375 3.094 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001255175977 806571120 /nfs/dbraw/zinc/57/11/20/806571120.db2.gz UDGGTUACASFSPG-JKSUJKDBSA-N 1 2 283.375 3.094 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc(C(F)(F)F)n2)c1 ZINC001163183849 806715383 /nfs/dbraw/zinc/71/53/83/806715383.db2.gz PPXATOBZDGTDEK-UHFFFAOYSA-N 1 2 292.264 3.174 20 30 CGEDLO Cc1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)nc1 ZINC000792635477 800391584 /nfs/dbraw/zinc/39/15/84/800391584.db2.gz HSEQPDHDBHXNHY-UHFFFAOYSA-N 1 2 280.375 3.194 20 30 CGEDLO C=C(Br)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000809559718 800446532 /nfs/dbraw/zinc/44/65/32/800446532.db2.gz YVRZFJQMMSGBMN-UHFFFAOYSA-N 1 2 299.187 3.251 20 30 CGEDLO CC(C)c1nsc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000826789764 800477639 /nfs/dbraw/zinc/47/76/39/800477639.db2.gz KTVVAKLUSYPCAC-NSHDSACASA-N 1 2 286.404 3.384 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(Br)cnc1OC ZINC000934459019 800678569 /nfs/dbraw/zinc/67/85/69/800678569.db2.gz HJLNRUMYLPZWIH-GFCCVEGCSA-N 1 2 297.196 3.003 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Br)cnc1OC ZINC000934459019 800678573 /nfs/dbraw/zinc/67/85/73/800678573.db2.gz HJLNRUMYLPZWIH-GFCCVEGCSA-N 1 2 297.196 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027813912 800820596 /nfs/dbraw/zinc/82/05/96/800820596.db2.gz DRBYBFGRLBCTFF-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027813912 800820600 /nfs/dbraw/zinc/82/06/00/800820600.db2.gz DRBYBFGRLBCTFF-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO Cc1ccccc1OCCCNc1ccc(CC#N)c[nH+]1 ZINC001163970165 806865737 /nfs/dbraw/zinc/86/57/37/806865737.db2.gz DNLKKDGOUNOCJR-UHFFFAOYSA-N 1 2 281.359 3.337 20 30 CGEDLO C=CCC[NH+]1CC(NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001031438559 800910933 /nfs/dbraw/zinc/91/09/33/800910933.db2.gz KCLDZQYNPUFSMH-UHFFFAOYSA-N 1 2 298.386 3.040 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001044059178 801228340 /nfs/dbraw/zinc/22/83/40/801228340.db2.gz LVHFCOGNNBDPSK-LSDHHAIUSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071803752 801554162 /nfs/dbraw/zinc/55/41/62/801554162.db2.gz QSABZTVIIWOKOD-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071803752 801554168 /nfs/dbraw/zinc/55/41/68/801554168.db2.gz QSABZTVIIWOKOD-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517195 801799382 /nfs/dbraw/zinc/79/93/82/801799382.db2.gz AHTOCJOUARFZQV-HIFRSBDPSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517195 801799385 /nfs/dbraw/zinc/79/93/85/801799385.db2.gz AHTOCJOUARFZQV-HIFRSBDPSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001109085308 802108960 /nfs/dbraw/zinc/10/89/60/802108960.db2.gz CFUYTKGHWSSYMQ-GTFZCOICSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001109085308 802108962 /nfs/dbraw/zinc/10/89/62/802108962.db2.gz CFUYTKGHWSSYMQ-GTFZCOICSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](CCC)CC2CCCC2)CC1 ZINC001113401479 802218200 /nfs/dbraw/zinc/21/82/00/802218200.db2.gz CWAHBTSFVQXGQV-QGZVFWFLSA-N 1 2 292.467 3.313 20 30 CGEDLO COc1c(C)c[nH+]c(CSCc2cncc(C#N)c2)c1C ZINC001119603068 802682691 /nfs/dbraw/zinc/68/26/91/802682691.db2.gz GCTWYQZXZZJORX-UHFFFAOYSA-N 1 2 299.399 3.407 20 30 CGEDLO CC(C)(C)c1coc(C[NH2+]Cc2cccc(OCC#N)c2)n1 ZINC001119613615 802685358 /nfs/dbraw/zinc/68/53/58/802685358.db2.gz KNXADEYJYVWTMF-UHFFFAOYSA-N 1 2 299.374 3.164 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001123551547 802953099 /nfs/dbraw/zinc/95/30/99/802953099.db2.gz JILVYZYUAAVPHF-HZPDHXFCSA-N 1 2 295.386 3.086 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787075 803345009 /nfs/dbraw/zinc/34/50/09/803345009.db2.gz FJPNYCMUQJDQCB-UONOGXRCSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787075 803345016 /nfs/dbraw/zinc/34/50/16/803345016.db2.gz FJPNYCMUQJDQCB-UONOGXRCSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131951874 803361280 /nfs/dbraw/zinc/36/12/80/803361280.db2.gz SVQUBADDSPGCDB-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131951874 803361288 /nfs/dbraw/zinc/36/12/88/803361288.db2.gz SVQUBADDSPGCDB-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132252435 803387526 /nfs/dbraw/zinc/38/75/26/803387526.db2.gz FIIKOGVTUMNREX-STQMWFEESA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132252435 803387530 /nfs/dbraw/zinc/38/75/30/803387530.db2.gz FIIKOGVTUMNREX-STQMWFEESA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132305340 803393877 /nfs/dbraw/zinc/39/38/77/803393877.db2.gz OOTRAQATQYINGR-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132305340 803393881 /nfs/dbraw/zinc/39/38/81/803393881.db2.gz OOTRAQATQYINGR-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO CNc1cc(-c2ccc3c(ccnc3C#N)c2)cc[nH+]1 ZINC001244975823 803600469 /nfs/dbraw/zinc/60/04/69/803600469.db2.gz CZKYEHLGOPNIKK-UHFFFAOYSA-N 1 2 260.300 3.210 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)c(C#N)c1 ZINC001137706519 803762819 /nfs/dbraw/zinc/76/28/19/803762819.db2.gz GBWMNOKTNJDTAG-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)c(C#N)c1 ZINC001137706519 803762823 /nfs/dbraw/zinc/76/28/23/803762823.db2.gz GBWMNOKTNJDTAG-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882891 803794415 /nfs/dbraw/zinc/79/44/15/803794415.db2.gz JZCIQYYFXMIWBF-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882891 803794419 /nfs/dbraw/zinc/79/44/19/803794419.db2.gz JZCIQYYFXMIWBF-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO CCCCOC1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703400 804260998 /nfs/dbraw/zinc/26/09/98/804260998.db2.gz PUOGDKBBZITFGE-UHFFFAOYSA-N 1 2 283.375 3.040 20 30 CGEDLO CC1(C)CCc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc2O1 ZINC001141183340 804604886 /nfs/dbraw/zinc/60/48/86/804604886.db2.gz ARBGPKDOAVHVFB-AWEZNQCLSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)CCc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc2O1 ZINC001141183340 804604889 /nfs/dbraw/zinc/60/48/89/804604889.db2.gz ARBGPKDOAVHVFB-AWEZNQCLSA-N 1 2 270.376 3.136 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(F)cc1O ZINC001142520867 804730342 /nfs/dbraw/zinc/73/03/42/804730342.db2.gz QVEHAYBZLZPLDK-UHFFFAOYSA-N 1 2 268.307 3.186 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(F)cc1O ZINC001142520867 804730349 /nfs/dbraw/zinc/73/03/49/804730349.db2.gz QVEHAYBZLZPLDK-UHFFFAOYSA-N 1 2 268.307 3.186 20 30 CGEDLO COc1cc(F)c(F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001143399706 804847050 /nfs/dbraw/zinc/84/70/50/804847050.db2.gz BURPEODXLXZXPV-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO CCc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc(CC)c1O ZINC001144149766 804945416 /nfs/dbraw/zinc/94/54/16/804945416.db2.gz BDYRSXWAIPWXTE-CYBMUJFWSA-N 1 2 272.392 3.253 20 30 CGEDLO CCc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc(CC)c1O ZINC001144149766 804945419 /nfs/dbraw/zinc/94/54/19/804945419.db2.gz BDYRSXWAIPWXTE-CYBMUJFWSA-N 1 2 272.392 3.253 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(Br)oc1C ZINC001249390587 805136913 /nfs/dbraw/zinc/13/69/13/805136913.db2.gz WTZBWTAOIIFMPQ-UHFFFAOYSA-N 1 2 273.174 3.144 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(Br)oc1C ZINC001249390587 805136917 /nfs/dbraw/zinc/13/69/17/805136917.db2.gz WTZBWTAOIIFMPQ-UHFFFAOYSA-N 1 2 273.174 3.144 20 30 CGEDLO CCCCCCCNC(=S)Nc1cc[nH+]c(CC)c1 ZINC001249631948 805193505 /nfs/dbraw/zinc/19/35/05/805193505.db2.gz ZFTWPCUFXBHBMQ-UHFFFAOYSA-N 1 2 279.453 3.323 20 30 CGEDLO Cc1c[nH+]c(NC[C@H]2CCC(F)(F)C2)c(/C=N/O)c1 ZINC001155174574 805550763 /nfs/dbraw/zinc/55/07/63/805550763.db2.gz WECVACOISRISPK-WBFHQNOSSA-N 1 2 269.295 3.045 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccccc3OCC#N)ccc21 ZINC001212600964 815082767 /nfs/dbraw/zinc/08/27/67/815082767.db2.gz VOQKQAVBCVSMFO-UHFFFAOYSA-N 1 2 278.315 3.219 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cnccn1 ZINC001167251188 807171271 /nfs/dbraw/zinc/17/12/71/807171271.db2.gz BZOAQTRPSXVLHY-AWEZNQCLSA-N 1 2 278.359 3.097 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cnccn1 ZINC001167251188 807171273 /nfs/dbraw/zinc/17/12/73/807171273.db2.gz BZOAQTRPSXVLHY-AWEZNQCLSA-N 1 2 278.359 3.097 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cnc2ccc(C)cc2c1 ZINC001167503932 807201378 /nfs/dbraw/zinc/20/13/78/807201378.db2.gz FYXCEGYADOJBDP-UHFFFAOYSA-N 1 2 262.356 3.002 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cnc2ccc(C)cc2c1 ZINC001167503932 807201384 /nfs/dbraw/zinc/20/13/84/807201384.db2.gz FYXCEGYADOJBDP-UHFFFAOYSA-N 1 2 262.356 3.002 20 30 CGEDLO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)cc(OC(F)F)[nH+]1 ZINC001167844961 807262213 /nfs/dbraw/zinc/26/22/13/807262213.db2.gz FNKTYAZZCUNACA-XYPYZODXSA-N 1 2 281.306 3.486 20 30 CGEDLO C[C@H](CNc1[nH+]cccc1CC#N)c1ccc(O)cc1 ZINC001169531705 807656338 /nfs/dbraw/zinc/65/63/38/807656338.db2.gz CMCWBRMGDGJCDA-GFCCVEGCSA-N 1 2 267.332 3.069 20 30 CGEDLO CN(C)c1ccc(NC23CCC(C#N)(CC2)CC3)[nH+]c1 ZINC001169750214 807703087 /nfs/dbraw/zinc/70/30/87/807703087.db2.gz SWJNTXVMSJNMHG-UHFFFAOYSA-N 1 2 270.380 3.176 20 30 CGEDLO C=CCC1(C=NNCCCn2cc[nH+]c2)CCCCC1 ZINC001262036662 807812450 /nfs/dbraw/zinc/81/24/50/807812450.db2.gz VXXXUOQFNJRKRM-UHFFFAOYSA-N 1 2 274.412 3.375 20 30 CGEDLO C(#Cc1ccccc1)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001170426784 807840474 /nfs/dbraw/zinc/84/04/74/807840474.db2.gz ZUXCLOXTVRWZTO-UHFFFAOYSA-N 1 2 273.339 3.336 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001170672980 807873579 /nfs/dbraw/zinc/87/35/79/807873579.db2.gz AFBZVOZETBUMMJ-GUYCJALGSA-N 1 2 298.386 3.358 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266345596 808246738 /nfs/dbraw/zinc/24/67/38/808246738.db2.gz XBAQPVVMZOLVON-KGLIPLIRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266345596 808246741 /nfs/dbraw/zinc/24/67/41/808246741.db2.gz XBAQPVVMZOLVON-KGLIPLIRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)[C@@H](C)CC)C1CC1 ZINC001266615707 808296129 /nfs/dbraw/zinc/29/61/29/808296129.db2.gz QPOPEGLBVGELTR-AAEUAGOBSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)[C@@H](C)CC)C1CC1 ZINC001266615707 808296134 /nfs/dbraw/zinc/29/61/34/808296134.db2.gz QPOPEGLBVGELTR-AAEUAGOBSA-N 1 2 286.847 3.002 20 30 CGEDLO C[C@H](CCCC#N)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172498159 808354884 /nfs/dbraw/zinc/35/48/84/808354884.db2.gz JGIVQHFDUZXDQQ-WBMJQRKESA-N 1 2 294.345 3.420 20 30 CGEDLO C[C@H](CCCC#N)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172498159 808354888 /nfs/dbraw/zinc/35/48/88/808354888.db2.gz JGIVQHFDUZXDQQ-WBMJQRKESA-N 1 2 294.345 3.420 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172653288 808409530 /nfs/dbraw/zinc/40/95/30/808409530.db2.gz HMQLSNOPDCTHAL-HNNXBMFYSA-N 1 2 252.402 3.395 20 30 CGEDLO COc1ccc(C#N)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032729 815207257 /nfs/dbraw/zinc/20/72/57/815207257.db2.gz VIWVQFVACTVUIY-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO CCCC[N@H+](CCC#N)[C@H]1COc2cccc(OC)c2C1 ZINC001173164753 808528986 /nfs/dbraw/zinc/52/89/86/808528986.db2.gz XTVVPLOQLBRTKB-CQSZACIVSA-N 1 2 288.391 3.014 20 30 CGEDLO CCCC[N@@H+](CCC#N)[C@H]1COc2cccc(OC)c2C1 ZINC001173164753 808528987 /nfs/dbraw/zinc/52/89/87/808528987.db2.gz XTVVPLOQLBRTKB-CQSZACIVSA-N 1 2 288.391 3.014 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001275721351 808959701 /nfs/dbraw/zinc/95/97/01/808959701.db2.gz SXCCMBNGWSRNOD-HLIUYOAVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001275721351 808959706 /nfs/dbraw/zinc/95/97/06/808959706.db2.gz SXCCMBNGWSRNOD-HLIUYOAVSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1ccnc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351711 809373664 /nfs/dbraw/zinc/37/36/64/809373664.db2.gz SERDBDJECAUHML-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C=CCCO[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001292862389 809439265 /nfs/dbraw/zinc/43/92/65/809439265.db2.gz MOHXIQDHDXDXOX-CQSZACIVSA-N 1 2 299.374 3.100 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001292865151 809439327 /nfs/dbraw/zinc/43/93/27/809439327.db2.gz POXPPKAQJZSHAF-INIZCTEOSA-N 1 2 282.347 3.059 20 30 CGEDLO COc1cc[nH+]cc1Nc1c(F)cc(C#N)cc1Cl ZINC001176123988 809629896 /nfs/dbraw/zinc/62/98/96/809629896.db2.gz GCQBSZIAQNPFOK-UHFFFAOYSA-N 1 2 277.686 3.498 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1Cl ZINC001176832839 809764153 /nfs/dbraw/zinc/76/41/53/809764153.db2.gz KJIXTGWAKVFTPU-LBPRGKRZSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001176832839 809764158 /nfs/dbraw/zinc/76/41/58/809764158.db2.gz KJIXTGWAKVFTPU-LBPRGKRZSA-N 1 2 251.732 3.467 20 30 CGEDLO N#Cc1ccc(F)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184967509 810226486 /nfs/dbraw/zinc/22/64/86/810226486.db2.gz DXOXSHBMPKIDOU-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO CCCCCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001191088226 810674546 /nfs/dbraw/zinc/67/45/46/810674546.db2.gz CTJZJJWXHBQBKY-UHFFFAOYSA-N 1 2 274.368 3.426 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(OC(F)(F)F)c1 ZINC001201284758 811807092 /nfs/dbraw/zinc/80/70/92/811807092.db2.gz ZWMBYNFXUIMQIX-UHFFFAOYSA-N 1 2 294.236 3.178 20 30 CGEDLO CCCCCCCCCN1CC[NH+](CCOC)CC1 ZINC001201839274 811969898 /nfs/dbraw/zinc/96/98/98/811969898.db2.gz JWNMPYDXHQAMMR-UHFFFAOYSA-N 1 2 270.461 3.001 20 30 CGEDLO N#Cc1ncc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1F ZINC001203050696 812230112 /nfs/dbraw/zinc/23/01/12/812230112.db2.gz YEPVTUOODIINFB-UHFFFAOYSA-N 1 2 297.337 3.221 20 30 CGEDLO COc1cc(C#N)ccc1Nc1cc(C)c[nH+]c1C ZINC001203663066 812420292 /nfs/dbraw/zinc/42/02/92/812420292.db2.gz HMCZBKBEQOAVFB-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cccc(Nc2cc(C)c[nH+]c2C)c1C#N ZINC001203663838 812422398 /nfs/dbraw/zinc/42/23/98/812422398.db2.gz UPKLNKTTZZSKAH-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1c[nH+]c(C)c(-n2ccc3c2cc(C#N)cc3N)c1 ZINC001203664132 812423059 /nfs/dbraw/zinc/42/30/59/812423059.db2.gz ZYBGDKMKJVCCAM-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO Cc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)s1 ZINC001204034957 812527823 /nfs/dbraw/zinc/52/78/23/812527823.db2.gz YXEBYHAKGFQWOV-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO Cc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1 ZINC001204173807 812564574 /nfs/dbraw/zinc/56/45/74/812564574.db2.gz ILAYRDYZDXDPEC-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO N#Cc1c(F)cccc1Nc1ccn2cc[nH+]c2c1 ZINC001204977382 812805970 /nfs/dbraw/zinc/80/59/70/812805970.db2.gz FYAZOIGIKUXODO-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO N#Cc1c(F)ccc(Nc2ccn3cc[nH+]c3c2)c1F ZINC001204983415 812810753 /nfs/dbraw/zinc/81/07/53/812810753.db2.gz UZGYMQGFEFMONT-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC001205479251 812990090 /nfs/dbraw/zinc/99/00/90/812990090.db2.gz WLWYWXYCGJBRBZ-UHFFFAOYSA-N 1 2 259.328 3.213 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC001205479251 812990098 /nfs/dbraw/zinc/99/00/98/812990098.db2.gz WLWYWXYCGJBRBZ-UHFFFAOYSA-N 1 2 259.328 3.213 20 30 CGEDLO C=CC[C@H]1CCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205908697 813127769 /nfs/dbraw/zinc/12/77/69/813127769.db2.gz XRXAAPUHUKKSQD-ZDUSSCGKSA-N 1 2 259.353 3.189 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2ncccc2F)CC1 ZINC001207026002 813467512 /nfs/dbraw/zinc/46/75/12/813467512.db2.gz BRYFSQJIOSFOSL-UHFFFAOYSA-N 1 2 295.361 3.278 20 30 CGEDLO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@H]1C#N ZINC001207678551 813633833 /nfs/dbraw/zinc/63/38/33/813633833.db2.gz NXGWJYDZZSHBLR-GJZGRUSLSA-N 1 2 266.429 3.332 20 30 CGEDLO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@H]1C#N ZINC001207678551 813633840 /nfs/dbraw/zinc/63/38/40/813633840.db2.gz NXGWJYDZZSHBLR-GJZGRUSLSA-N 1 2 266.429 3.332 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161812 813717739 /nfs/dbraw/zinc/71/77/39/813717739.db2.gz OECNOWRKRWWNSX-XHDPSFHLSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161812 813717745 /nfs/dbraw/zinc/71/77/45/813717745.db2.gz OECNOWRKRWWNSX-XHDPSFHLSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@H]3SC(=O)C=C3C2)o1 ZINC001208161812 813717748 /nfs/dbraw/zinc/71/77/48/813717748.db2.gz OECNOWRKRWWNSX-XHDPSFHLSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@H]3SC(=O)C=C3C2)o1 ZINC001208161812 813717750 /nfs/dbraw/zinc/71/77/50/813717750.db2.gz OECNOWRKRWWNSX-XHDPSFHLSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(Cl)c(F)c2C#N)cc1N ZINC001210290634 814387995 /nfs/dbraw/zinc/38/79/95/814387995.db2.gz BSKLXSYOHAMYSV-UHFFFAOYSA-N 1 2 276.702 3.380 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001242745743 823121087 /nfs/dbraw/zinc/12/10/87/823121087.db2.gz WZBUXFLRWGTLAU-LBPRGKRZSA-N 1 2 266.344 3.470 20 30 CGEDLO COc1cc(Nc2cc(C#N)ccc2C)cc(C)[nH+]1 ZINC001210500708 814490922 /nfs/dbraw/zinc/49/09/22/814490922.db2.gz KPIJBNJOZKACIQ-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1cccc2[nH+]ccn21 ZINC001210552688 814522657 /nfs/dbraw/zinc/52/26/57/814522657.db2.gz PUFHZZBONNZHNT-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO COc1cc(Nc2ccc(C)cc2C#N)cc(C)[nH+]1 ZINC001210565962 814531495 /nfs/dbraw/zinc/53/14/95/814531495.db2.gz PCVUMJAUXZJHFX-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C#N)c(C)c1 ZINC001210806081 814637804 /nfs/dbraw/zinc/63/78/04/814637804.db2.gz RDPFVASGOPRXLU-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C)c(C#N)c1 ZINC001216076102 815682259 /nfs/dbraw/zinc/68/22/59/815682259.db2.gz PSWLKJCBCBSXIP-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO N#Cc1ccc2cc(O[C@H]3CC[NH2+]CC3(F)F)ccc2c1 ZINC001218007410 816049904 /nfs/dbraw/zinc/04/99/04/816049904.db2.gz PVYOOXUSEWOSGI-HNNXBMFYSA-N 1 2 288.297 3.087 20 30 CGEDLO N#C[C@H](OC1C[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC001223708144 816668748 /nfs/dbraw/zinc/66/87/48/816668748.db2.gz AYVZIKATXSVCDJ-SFHVURJKSA-N 1 2 278.355 3.152 20 30 CGEDLO Cc1cc(OC2C[NH+](Cc3ccccc3)C2)cc(C)c1C#N ZINC001226832278 817479560 /nfs/dbraw/zinc/47/95/60/817479560.db2.gz RBMALESBTOIASS-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccnc(C(F)F)c1 ZINC001231889602 818204283 /nfs/dbraw/zinc/20/42/83/818204283.db2.gz OQMAXKXIXSDXOV-UHFFFAOYSA-N 1 2 253.296 3.145 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccnc(C(F)F)c1 ZINC001231889602 818204290 /nfs/dbraw/zinc/20/42/90/818204290.db2.gz OQMAXKXIXSDXOV-UHFFFAOYSA-N 1 2 253.296 3.145 20 30 CGEDLO Cc1cc(F)ncc1C[N@H+](CCC#N)C1CCCC1 ZINC001231984474 818224482 /nfs/dbraw/zinc/22/44/82/818224482.db2.gz DZQSRGBVUHQJAK-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO Cc1cc(F)ncc1C[N@@H+](CCC#N)C1CCCC1 ZINC001231984474 818224485 /nfs/dbraw/zinc/22/44/85/818224485.db2.gz DZQSRGBVUHQJAK-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc1Cl ZINC001232116925 818259526 /nfs/dbraw/zinc/25/95/26/818259526.db2.gz SAHUULFDEBSWQH-GFCCVEGCSA-N 1 2 296.798 3.241 20 30 CGEDLO CSc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cn1 ZINC001232324707 818314130 /nfs/dbraw/zinc/31/41/30/818314130.db2.gz OCPJWZLYINWBJS-UHFFFAOYSA-N 1 2 295.411 3.233 20 30 CGEDLO CSc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cn1 ZINC001232324707 818314134 /nfs/dbraw/zinc/31/41/34/818314134.db2.gz OCPJWZLYINWBJS-UHFFFAOYSA-N 1 2 295.411 3.233 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001232606443 818393706 /nfs/dbraw/zinc/39/37/06/818393706.db2.gz PQAGIPFEJACNLB-YPMHNXCESA-N 1 2 282.721 3.299 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001232606443 818393716 /nfs/dbraw/zinc/39/37/16/818393716.db2.gz PQAGIPFEJACNLB-YPMHNXCESA-N 1 2 282.721 3.299 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Br)cc(OC)c1 ZINC001233215204 818542154 /nfs/dbraw/zinc/54/21/54/818542154.db2.gz LQHBSUFYAAHFNH-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Br)cc(OC)c1 ZINC001233215204 818542161 /nfs/dbraw/zinc/54/21/61/818542161.db2.gz LQHBSUFYAAHFNH-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC001233396648 818611289 /nfs/dbraw/zinc/61/12/89/818611289.db2.gz OCPHCEDIHPRHCD-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC001233396648 818611292 /nfs/dbraw/zinc/61/12/92/818611292.db2.gz OCPHCEDIHPRHCD-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO N#CCC1C[NH+](Cc2cc(-c3cccc(Cl)c3)no2)C1 ZINC001237765220 819837946 /nfs/dbraw/zinc/83/79/46/819837946.db2.gz GTVHFXFZHFGYHH-UHFFFAOYSA-N 1 2 287.750 3.340 20 30 CGEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001238080452 819927422 /nfs/dbraw/zinc/92/74/22/819927422.db2.gz QZNLBUMXXNIXFU-SKDRFNHKSA-N 1 2 252.720 3.144 20 30 CGEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001238080452 819927427 /nfs/dbraw/zinc/92/74/27/819927427.db2.gz QZNLBUMXXNIXFU-SKDRFNHKSA-N 1 2 252.720 3.144 20 30 CGEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001238080451 819927467 /nfs/dbraw/zinc/92/74/67/819927467.db2.gz QZNLBUMXXNIXFU-BXKDBHETSA-N 1 2 252.720 3.144 20 30 CGEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001238080451 819927475 /nfs/dbraw/zinc/92/74/75/819927475.db2.gz QZNLBUMXXNIXFU-BXKDBHETSA-N 1 2 252.720 3.144 20 30 CGEDLO COc1cc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)ccc1C#N ZINC001238409531 819988146 /nfs/dbraw/zinc/98/81/46/819988146.db2.gz HGUSHPCEEORXIR-AWEZNQCLSA-N 1 2 298.308 3.136 20 30 CGEDLO COc1cc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)ccc1C#N ZINC001238409531 819988150 /nfs/dbraw/zinc/98/81/50/819988150.db2.gz HGUSHPCEEORXIR-AWEZNQCLSA-N 1 2 298.308 3.136 20 30 CGEDLO CCCCCCCCOC(=O)N[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001239320497 820267950 /nfs/dbraw/zinc/26/79/50/820267950.db2.gz DJNBMPGTTSTJCL-LBPRGKRZSA-N 1 2 292.370 3.070 20 30 CGEDLO Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)nc1C#N ZINC001243656683 823476907 /nfs/dbraw/zinc/47/69/07/823476907.db2.gz LEXJLAGSQWWUJZ-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#CCc1ncccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243661963 823478609 /nfs/dbraw/zinc/47/86/09/823478609.db2.gz HOIDQPHNPJVQGT-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO N#Cc1nc(-c2ccn3cc[nH+]c3c2)ccc1C(F)(F)F ZINC001240496292 821091598 /nfs/dbraw/zinc/09/15/98/821091598.db2.gz KTVDHMHUIGMLGS-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(N)cc2F)cc1C#N ZINC001240527967 821125141 /nfs/dbraw/zinc/12/51/41/821125141.db2.gz QZPIXNWORLRRDL-KEBDBYFISA-N 1 2 282.322 3.168 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3c(c2)OCO3)cc1C#N ZINC001240899621 821403126 /nfs/dbraw/zinc/40/31/26/821403126.db2.gz BZCHRDJNZOZERM-VXLYETTFSA-N 1 2 293.326 3.175 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1nc(C)c(C)c(C)c1C#N ZINC001241240306 821662314 /nfs/dbraw/zinc/66/23/14/821662314.db2.gz KHKAVOVYZYFNGR-UHFFFAOYSA-N 1 2 280.375 3.315 20 30 CGEDLO COc1ccc(CC#N)cc1-c1c[nH+]c(N(C)C)cc1C ZINC001241244010 821666008 /nfs/dbraw/zinc/66/60/08/821666008.db2.gz RQIYHWRVIZGSMH-UHFFFAOYSA-N 1 2 281.359 3.198 20 30 CGEDLO COc1cc2[nH+]ccn2cc1C1=CC(=O)CC(C)(C)C1 ZINC001242317709 822950768 /nfs/dbraw/zinc/95/07/68/822950768.db2.gz XDARHVIYQHCSTJ-UHFFFAOYSA-N 1 2 270.332 3.115 20 30 CGEDLO COc1ccsc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001342252276 936463556 /nfs/dbraw/zinc/46/35/56/936463556.db2.gz BFTBVARKSSMSIV-VOTSOKGWSA-N 1 2 288.372 3.114 20 30 CGEDLO C=CCO[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC001348111228 936910879 /nfs/dbraw/zinc/91/08/79/936910879.db2.gz VPOLPWSGNJLQIY-AWEZNQCLSA-N 1 2 254.333 3.016 20 30 CGEDLO C=CCO[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC001348111229 936910993 /nfs/dbraw/zinc/91/09/93/936910993.db2.gz VPOLPWSGNJLQIY-CQSZACIVSA-N 1 2 254.333 3.016 20 30 CGEDLO C[C@@H](CC#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001351766048 937024477 /nfs/dbraw/zinc/02/44/77/937024477.db2.gz ATAWQRIPPLYOOH-JTQLQIEISA-N 1 2 288.738 3.014 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001505965838 927372552 /nfs/dbraw/zinc/37/25/52/927372552.db2.gz XDYQNFNKFFISNC-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001505965838 927372567 /nfs/dbraw/zinc/37/25/67/927372567.db2.gz XDYQNFNKFFISNC-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001365289138 937235642 /nfs/dbraw/zinc/23/56/42/937235642.db2.gz VRPWEQSCBGKGQQ-KRWDZBQOSA-N 1 2 281.359 3.066 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001365289138 937235646 /nfs/dbraw/zinc/23/56/46/937235646.db2.gz VRPWEQSCBGKGQQ-KRWDZBQOSA-N 1 2 281.359 3.066 20 30 CGEDLO CC(C)([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC001459441622 937488048 /nfs/dbraw/zinc/48/80/48/937488048.db2.gz WPFCKCKBJCKUAB-UHFFFAOYSA-N 1 2 295.342 3.491 20 30 CGEDLO C=CCCCC[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC001460587460 937536199 /nfs/dbraw/zinc/53/61/99/937536199.db2.gz CFFMOHGOVMQUBB-MRXNPFEDSA-N 1 2 275.392 3.107 20 30 CGEDLO CN(Cc1ccc(C#N)cc1)c1cccc(C2CC2)[nH+]1 ZINC001166540147 931997928 /nfs/dbraw/zinc/99/79/28/931997928.db2.gz FVJAICGQLIGTBK-UHFFFAOYSA-N 1 2 263.344 3.467 20 30 CGEDLO C#C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)c1ccccc1 ZINC001230920517 932643308 /nfs/dbraw/zinc/64/33/08/932643308.db2.gz OJGQKFWYAHBQDM-KRWDZBQOSA-N 1 2 277.323 3.121 20 30 CGEDLO CCC#C[C@@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084203 932675553 /nfs/dbraw/zinc/67/55/53/932675553.db2.gz ZRTIUBOMXDBRGT-CYBMUJFWSA-N 1 2 254.333 3.268 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)C(=O)OCC ZINC001462192649 937623922 /nfs/dbraw/zinc/62/39/22/937623922.db2.gz YAXKOELWNUTZBT-SJORKVTESA-N 1 2 287.403 3.031 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccn(CC)n1)Cc1ccccc1 ZINC001462187473 937623928 /nfs/dbraw/zinc/62/39/28/937623928.db2.gz DFMQRKBNUCSMHV-UHFFFAOYSA-N 1 2 269.392 3.481 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccn(CC)n1)Cc1ccccc1 ZINC001462187473 937623930 /nfs/dbraw/zinc/62/39/30/937623930.db2.gz DFMQRKBNUCSMHV-UHFFFAOYSA-N 1 2 269.392 3.481 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC001308505975 933122144 /nfs/dbraw/zinc/12/21/44/933122144.db2.gz OETCKJQOSHLLEK-LLVKDONJSA-N 1 2 288.782 3.132 20 30 CGEDLO Cc1ccc(-c2ncc(C[NH2+]CC3(C#N)CC3)s2)o1 ZINC001308546830 933129766 /nfs/dbraw/zinc/12/97/66/933129766.db2.gz SRKMVPRKPFNWNQ-UHFFFAOYSA-N 1 2 273.361 3.105 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OC ZINC001308901683 933199423 /nfs/dbraw/zinc/19/94/23/933199423.db2.gz MHFVBCKLFLSCGA-SOLBZPMBSA-N 1 2 287.403 3.278 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308918192 933204831 /nfs/dbraw/zinc/20/48/31/933204831.db2.gz MZRCOJXPTXRKDT-WBVHZDCISA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2CCCCCC2)C1 ZINC001318159988 933689877 /nfs/dbraw/zinc/68/98/77/933689877.db2.gz XXONHFYUKIPHDT-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC001320787111 934103103 /nfs/dbraw/zinc/10/31/03/934103103.db2.gz ITNSUHBRHSXXLH-RWMBFGLXSA-N 1 2 285.453 3.004 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccccc2N2CCCC2)nc1 ZINC001321450837 934184567 /nfs/dbraw/zinc/18/45/67/934184567.db2.gz AWTDMAMGYWIBRU-UHFFFAOYSA-N 1 2 280.375 3.436 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1csc(C(=O)OCC)n1 ZINC001473180314 937795873 /nfs/dbraw/zinc/79/58/73/937795873.db2.gz WWLQCGVCFCYJAA-UHFFFAOYSA-N 1 2 296.436 3.498 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1csc(C(=O)OCC)n1 ZINC001473180314 937795875 /nfs/dbraw/zinc/79/58/75/937795875.db2.gz WWLQCGVCFCYJAA-UHFFFAOYSA-N 1 2 296.436 3.498 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cccs1 ZINC001328936253 935175645 /nfs/dbraw/zinc/17/56/45/935175645.db2.gz SYDUWRUFXDUENV-FPLPWBNLSA-N 1 2 258.346 3.105 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001329511916 935222285 /nfs/dbraw/zinc/22/22/85/935222285.db2.gz DRADNCAYQXFTBP-UHFFFAOYSA-N 1 2 253.349 3.229 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCc1csc(C#N)c1 ZINC001332784459 935489030 /nfs/dbraw/zinc/48/90/30/935489030.db2.gz VIQHLKYFRCWGAP-UHFFFAOYSA-N 1 2 273.361 3.414 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@H+](CCCC(F)(F)F)CCO2)cc1 ZINC001333746115 936062343 /nfs/dbraw/zinc/06/23/43/936062343.db2.gz BWQAGVXDOGRIAF-AWEZNQCLSA-N 1 2 298.308 3.274 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCCC(F)(F)F)CCO2)cc1 ZINC001333746115 936062348 /nfs/dbraw/zinc/06/23/48/936062348.db2.gz BWQAGVXDOGRIAF-AWEZNQCLSA-N 1 2 298.308 3.274 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC001336772320 936216425 /nfs/dbraw/zinc/21/64/25/936216425.db2.gz KJKCROFDHRRWTB-YJBOKZPZSA-N 1 2 290.370 3.204 20 30 CGEDLO C#CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC001473817107 937823436 /nfs/dbraw/zinc/82/34/36/937823436.db2.gz OQTHSBFXKKWTJY-UHFFFAOYSA-N 1 2 287.794 3.369 20 30 CGEDLO C#CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C(C)C ZINC001473817107 937823438 /nfs/dbraw/zinc/82/34/38/937823438.db2.gz OQTHSBFXKKWTJY-UHFFFAOYSA-N 1 2 287.794 3.369 20 30 CGEDLO COc1cccc(F)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC001474281328 937848208 /nfs/dbraw/zinc/84/82/08/937848208.db2.gz CFTFHWOBAQLCFE-UHFFFAOYSA-N 1 2 288.297 3.135 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001480333761 937936906 /nfs/dbraw/zinc/93/69/06/937936906.db2.gz YUGWZTLGDTWONI-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001480333761 937936907 /nfs/dbraw/zinc/93/69/07/937936907.db2.gz YUGWZTLGDTWONI-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC001498429647 937969467 /nfs/dbraw/zinc/96/94/67/937969467.db2.gz QSXUCLJHHYLSJE-ZDUSSCGKSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC001498429647 937969468 /nfs/dbraw/zinc/96/94/68/937969468.db2.gz QSXUCLJHHYLSJE-ZDUSSCGKSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)cc1C ZINC001498441315 937969772 /nfs/dbraw/zinc/96/97/72/937969772.db2.gz UEGAYTMRQNWZQJ-AWEZNQCLSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)cc1C ZINC001498441315 937969773 /nfs/dbraw/zinc/96/97/73/937969773.db2.gz UEGAYTMRQNWZQJ-AWEZNQCLSA-N 1 2 294.826 3.106 20 30 CGEDLO C#C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(F)cc1 ZINC001535458900 938101241 /nfs/dbraw/zinc/10/12/41/938101241.db2.gz CRHYNZCLKTZJAX-MRXNPFEDSA-N 1 2 296.345 3.250 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001559178005 938221790 /nfs/dbraw/zinc/22/17/90/938221790.db2.gz VEHDOEXZBKUFMT-ZBFHGGJFSA-N 1 2 287.407 3.446 20 30 CGEDLO CCc1cc(NCc2ccc(C#N)c(F)c2)nc(CC)[nH+]1 ZINC001559212784 938222459 /nfs/dbraw/zinc/22/24/59/938222459.db2.gz VUYFSMGOLSZTRY-UHFFFAOYSA-N 1 2 284.338 3.224 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001560209957 938247249 /nfs/dbraw/zinc/24/72/49/938247249.db2.gz COSYZLJPIWPXMO-OAHLLOKOSA-N 1 2 258.752 3.199 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001560209957 938247250 /nfs/dbraw/zinc/24/72/50/938247250.db2.gz COSYZLJPIWPXMO-OAHLLOKOSA-N 1 2 258.752 3.199 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)CCO1 ZINC001560233192 938248431 /nfs/dbraw/zinc/24/84/31/938248431.db2.gz UNYXXFCFFOBTCQ-VXGBXAGGSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)CCO1 ZINC001560233192 938248432 /nfs/dbraw/zinc/24/84/32/938248432.db2.gz UNYXXFCFFOBTCQ-VXGBXAGGSA-N 1 2 278.783 3.211 20 30 CGEDLO C#CC[N@@H+](Cc1cc(Cl)ccc1OCC)C1CSC1 ZINC001560975515 938287354 /nfs/dbraw/zinc/28/73/54/938287354.db2.gz CULOQQWFIPETCY-UHFFFAOYSA-N 1 2 295.835 3.289 20 30 CGEDLO C#CC[N@H+](Cc1cc(Cl)ccc1OCC)C1CSC1 ZINC001560975515 938287356 /nfs/dbraw/zinc/28/73/56/938287356.db2.gz CULOQQWFIPETCY-UHFFFAOYSA-N 1 2 295.835 3.289 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(CC)(CC)CC ZINC001568499706 961600801 /nfs/dbraw/zinc/60/08/01/961600801.db2.gz OMJDWTIWVZNXHU-UHFFFAOYSA-N 1 2 288.863 3.346 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(CC)(CC)CC ZINC001568499706 961600814 /nfs/dbraw/zinc/60/08/14/961600814.db2.gz OMJDWTIWVZNXHU-UHFFFAOYSA-N 1 2 288.863 3.346 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001571524581 962181638 /nfs/dbraw/zinc/18/16/38/962181638.db2.gz HOMALQAWWFAWQX-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001571524581 962181648 /nfs/dbraw/zinc/18/16/48/962181648.db2.gz HOMALQAWWFAWQX-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CCC1(CNc2[nH+]ccc(C)c2-c2nn[nH]n2)CCCC1 ZINC001573330354 962245163 /nfs/dbraw/zinc/24/51/63/962245163.db2.gz WLXFKZJSXRBLDC-UHFFFAOYSA-N 1 2 298.394 3.119 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccnn1CCc1ccccc1 ZINC000621709020 349557472 /nfs/dbraw/zinc/55/74/72/349557472.db2.gz IHYUHVZLEJNIJP-UHFFFAOYSA-N 1 2 281.403 3.300 20 30 CGEDLO CC(C)(C)c1[nH]c2ccc(NC(=O)CC3(C#N)CC3)cc2[nH+]1 ZINC000590134979 346830488 /nfs/dbraw/zinc/83/04/88/346830488.db2.gz VFFPWWOLCSIPQE-UHFFFAOYSA-N 1 2 296.374 3.493 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(N3CC[C@](F)(C#N)C3)c2c1 ZINC000590698808 346864912 /nfs/dbraw/zinc/86/49/12/346864912.db2.gz ZBQWSQLPVLPSEV-KRWDZBQOSA-N 1 2 299.349 3.464 20 30 CGEDLO CSCc1cnc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000590777373 346874380 /nfs/dbraw/zinc/87/43/80/346874380.db2.gz CDJAYEHGWJXNFW-UHFFFAOYSA-N 1 2 290.417 3.079 20 30 CGEDLO N#CC1(CNc2cc[nH+]c3c(O)cccc23)CCC1 ZINC000591370988 346917729 /nfs/dbraw/zinc/91/77/29/346917729.db2.gz FULREDHYKKMHLG-UHFFFAOYSA-N 1 2 253.305 3.046 20 30 CGEDLO Cc1cc(N2CCCO[C@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591819626 346938868 /nfs/dbraw/zinc/93/88/68/346938868.db2.gz XLWQFFZGMYHKAD-SFHVURJKSA-N 1 2 293.370 3.230 20 30 CGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccncc1C#N ZINC000592100926 346962322 /nfs/dbraw/zinc/96/23/22/346962322.db2.gz LAVPUBJFQNLEPH-MFKMUULPSA-N 1 2 283.297 3.116 20 30 CGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccncc1C#N ZINC000592100926 346962326 /nfs/dbraw/zinc/96/23/26/346962326.db2.gz LAVPUBJFQNLEPH-MFKMUULPSA-N 1 2 283.297 3.116 20 30 CGEDLO N#Cc1cnccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000592070136 346960781 /nfs/dbraw/zinc/96/07/81/346960781.db2.gz FYVOOUJJIUQBJX-UHFFFAOYSA-N 1 2 293.370 3.071 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000592070136 346960785 /nfs/dbraw/zinc/96/07/85/346960785.db2.gz FYVOOUJJIUQBJX-UHFFFAOYSA-N 1 2 293.370 3.071 20 30 CGEDLO Cc1ccc(C[N@@H+](Cc2ccncc2C#N)CC2CC2)cn1 ZINC000592146519 346966657 /nfs/dbraw/zinc/96/66/57/346966657.db2.gz RWQJXPZLZZPHFC-UHFFFAOYSA-N 1 2 292.386 3.069 20 30 CGEDLO Cc1ccc(C[N@H+](Cc2ccncc2C#N)CC2CC2)cn1 ZINC000592146519 346966661 /nfs/dbraw/zinc/96/66/61/346966661.db2.gz RWQJXPZLZZPHFC-UHFFFAOYSA-N 1 2 292.386 3.069 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC2(CCCC2)O1 ZINC000592189348 346970515 /nfs/dbraw/zinc/97/05/15/346970515.db2.gz SKALMXXJUVRNAN-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC2(CCCC2)O1 ZINC000592189348 346970519 /nfs/dbraw/zinc/97/05/19/346970519.db2.gz SKALMXXJUVRNAN-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2n(n1)CCCC2 ZINC000592387468 346981482 /nfs/dbraw/zinc/98/14/82/346981482.db2.gz HPZSDGZUWZOVOH-LBPRGKRZSA-N 1 2 298.365 3.081 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000592497833 346993575 /nfs/dbraw/zinc/99/35/75/346993575.db2.gz AKOUAPOPUPYPAF-UHFFFAOYSA-N 1 2 282.391 3.305 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000592497833 346993579 /nfs/dbraw/zinc/99/35/79/346993579.db2.gz AKOUAPOPUPYPAF-UHFFFAOYSA-N 1 2 282.391 3.305 20 30 CGEDLO N#Cc1ccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)cc1 ZINC000351567587 219128659 /nfs/dbraw/zinc/12/86/59/219128659.db2.gz KQILKALWZXDXHX-UHFFFAOYSA-N 1 2 282.734 3.122 20 30 CGEDLO CC(C)(C)OC(=O)C1([NH2+]CCCC#N)CCCCCC1 ZINC000593062982 347034204 /nfs/dbraw/zinc/03/42/04/347034204.db2.gz ONXKRHLBNXLLQZ-UHFFFAOYSA-N 1 2 280.412 3.314 20 30 CGEDLO CCc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000046530344 345040963 /nfs/dbraw/zinc/04/09/63/345040963.db2.gz ZROICGIPPQZCIF-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)cs1 ZINC000046530344 345040966 /nfs/dbraw/zinc/04/09/66/345040966.db2.gz ZROICGIPPQZCIF-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000064797308 345265121 /nfs/dbraw/zinc/26/51/21/345265121.db2.gz WTCIHDVPHVIHQT-NSHDSACASA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000064797308 345265124 /nfs/dbraw/zinc/26/51/24/345265124.db2.gz WTCIHDVPHVIHQT-NSHDSACASA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000066468979 345296684 /nfs/dbraw/zinc/29/66/84/345296684.db2.gz NPIJNNRVBLQDHC-CQSZACIVSA-N 1 2 268.360 3.310 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000066468979 345296685 /nfs/dbraw/zinc/29/66/85/345296685.db2.gz NPIJNNRVBLQDHC-CQSZACIVSA-N 1 2 268.360 3.310 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000076118870 345534705 /nfs/dbraw/zinc/53/47/05/345534705.db2.gz HJGGILDSPJXTPU-SFHVURJKSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000076118870 345534706 /nfs/dbraw/zinc/53/47/06/345534706.db2.gz HJGGILDSPJXTPU-SFHVURJKSA-N 1 2 278.355 3.132 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(C#N)ccc1F ZINC000080917246 345689441 /nfs/dbraw/zinc/68/94/41/345689441.db2.gz SBPWHSOYSUUMDH-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(C#N)ccc1F ZINC000080917246 345689442 /nfs/dbraw/zinc/68/94/42/345689442.db2.gz SBPWHSOYSUUMDH-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+](CC#N)C1CCCC1 ZINC000165426979 346183684 /nfs/dbraw/zinc/18/36/84/346183684.db2.gz GQULANHKWCQVJG-UHFFFAOYSA-N 1 2 253.349 3.135 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+](CC#N)C1CCCC1 ZINC000165426979 346183685 /nfs/dbraw/zinc/18/36/85/346183685.db2.gz GQULANHKWCQVJG-UHFFFAOYSA-N 1 2 253.349 3.135 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000624037408 349952818 /nfs/dbraw/zinc/95/28/18/349952818.db2.gz ZSLNMLJWDFXSRI-OAHLLOKOSA-N 1 2 288.370 3.225 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000624037408 349952819 /nfs/dbraw/zinc/95/28/19/349952819.db2.gz ZSLNMLJWDFXSRI-OAHLLOKOSA-N 1 2 288.370 3.225 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CCCC1 ZINC000593652509 347099271 /nfs/dbraw/zinc/09/92/71/347099271.db2.gz AFZXUTSSXOIDBN-UHFFFAOYSA-N 1 2 280.375 3.250 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1cccs1 ZINC000359222688 346544125 /nfs/dbraw/zinc/54/41/25/346544125.db2.gz IFGXXACNLGJWQF-UHFFFAOYSA-N 1 2 290.388 3.051 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1cccs1 ZINC000359222688 346544132 /nfs/dbraw/zinc/54/41/32/346544132.db2.gz IFGXXACNLGJWQF-UHFFFAOYSA-N 1 2 290.388 3.051 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CO1 ZINC000403876340 346598341 /nfs/dbraw/zinc/59/83/41/346598341.db2.gz MPIICFFNUUADFG-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CO1 ZINC000403876340 346598342 /nfs/dbraw/zinc/59/83/42/346598342.db2.gz MPIICFFNUUADFG-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000403805936 346598387 /nfs/dbraw/zinc/59/83/87/346598387.db2.gz GGFVAJSDVLEKFF-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000403805936 346598389 /nfs/dbraw/zinc/59/83/89/346598389.db2.gz GGFVAJSDVLEKFF-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)CO1 ZINC000403812726 346598421 /nfs/dbraw/zinc/59/84/21/346598421.db2.gz KDEFTBPSBGOPRO-BXUZGUMPSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)CO1 ZINC000403812726 346598422 /nfs/dbraw/zinc/59/84/22/346598422.db2.gz KDEFTBPSBGOPRO-BXUZGUMPSA-N 1 2 278.783 3.211 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1ccsc1)C(=O)OCC ZINC000562523116 346660096 /nfs/dbraw/zinc/66/00/96/346660096.db2.gz OFWMYXWMZCEAMA-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2cccs2)n1 ZINC000491672275 346629047 /nfs/dbraw/zinc/62/90/47/346629047.db2.gz OYNLKAWMNFFIBE-SNVBAGLBSA-N 1 2 262.403 3.325 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2cccs2)n1 ZINC000491672275 346629051 /nfs/dbraw/zinc/62/90/51/346629051.db2.gz OYNLKAWMNFFIBE-SNVBAGLBSA-N 1 2 262.403 3.325 20 30 CGEDLO C=C[C@H]([NH2+]CCCCc1ccc(Cl)s1)C(=O)OC ZINC000585729068 346727812 /nfs/dbraw/zinc/72/78/12/346727812.db2.gz UOGSRMANEHHJDZ-NSHDSACASA-N 1 2 287.812 3.041 20 30 CGEDLO Cn1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(C(C)(C)C)n1 ZINC000594610308 347203244 /nfs/dbraw/zinc/20/32/44/347203244.db2.gz AZYBHHRSYOHJID-UHFFFAOYSA-N 1 2 294.402 3.105 20 30 CGEDLO Cn1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(C(C)(C)C)n1 ZINC000594610308 347203246 /nfs/dbraw/zinc/20/32/46/347203246.db2.gz AZYBHHRSYOHJID-UHFFFAOYSA-N 1 2 294.402 3.105 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CCCCC#N)[nH+]1 ZINC000594321430 347170197 /nfs/dbraw/zinc/17/01/97/347170197.db2.gz BEQBRLPWTJZLEM-UHFFFAOYSA-N 1 2 282.347 3.408 20 30 CGEDLO Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595094524 347281717 /nfs/dbraw/zinc/28/17/17/347281717.db2.gz LGGQOGAWRYEFEE-QWHCGFSZSA-N 1 2 264.319 3.369 20 30 CGEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN([C@@H](C)C#N)C1CC1 ZINC000595709394 347344461 /nfs/dbraw/zinc/34/44/61/347344461.db2.gz FAUNFLLHVSRPDP-AWEZNQCLSA-N 1 2 280.375 3.057 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000595843283 347366571 /nfs/dbraw/zinc/36/65/71/347366571.db2.gz KECLFFVEXXUFBR-CQSZACIVSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000595843283 347366574 /nfs/dbraw/zinc/36/65/74/347366574.db2.gz KECLFFVEXXUFBR-CQSZACIVSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000595844806 347367439 /nfs/dbraw/zinc/36/74/39/347367439.db2.gz VWZBDNBNMBVPOS-CQSZACIVSA-N 1 2 250.292 3.360 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000595844806 347367441 /nfs/dbraw/zinc/36/74/41/347367441.db2.gz VWZBDNBNMBVPOS-CQSZACIVSA-N 1 2 250.292 3.360 20 30 CGEDLO Cc1cc(N2CCC([C@H]3CCCCO3)CC2)c(C#N)c[nH+]1 ZINC000596496783 347468068 /nfs/dbraw/zinc/46/80/68/347468068.db2.gz HDPNWZVMIPSDJX-QGZVFWFLSA-N 1 2 285.391 3.047 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000596983970 347524367 /nfs/dbraw/zinc/52/43/67/347524367.db2.gz LHOZDQWNMBYQLT-UHFFFAOYSA-N 1 2 281.359 3.170 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000596983970 347524370 /nfs/dbraw/zinc/52/43/70/347524370.db2.gz LHOZDQWNMBYQLT-UHFFFAOYSA-N 1 2 281.359 3.170 20 30 CGEDLO Cc1nc2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2s1 ZINC000597230912 347558489 /nfs/dbraw/zinc/55/84/89/347558489.db2.gz KBDMWXNYTZKBGY-OAHLLOKOSA-N 1 2 271.389 3.340 20 30 CGEDLO Cc1nc2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2s1 ZINC000597230912 347558491 /nfs/dbraw/zinc/55/84/91/347558491.db2.gz KBDMWXNYTZKBGY-OAHLLOKOSA-N 1 2 271.389 3.340 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000597230411 347558547 /nfs/dbraw/zinc/55/85/47/347558547.db2.gz RSIXHXKUIHCVCG-QGZVFWFLSA-N 1 2 283.375 3.105 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000597230411 347558550 /nfs/dbraw/zinc/55/85/50/347558550.db2.gz RSIXHXKUIHCVCG-QGZVFWFLSA-N 1 2 283.375 3.105 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599553007 347753702 /nfs/dbraw/zinc/75/37/02/347753702.db2.gz QCDGWRLLJXIQQB-UHFFFAOYSA-N 1 2 295.289 3.088 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC(F)(F)CC1 ZINC000599553007 347753704 /nfs/dbraw/zinc/75/37/04/347753704.db2.gz QCDGWRLLJXIQQB-UHFFFAOYSA-N 1 2 295.289 3.088 20 30 CGEDLO N#Cc1c(F)cccc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000600849278 347841196 /nfs/dbraw/zinc/84/11/96/347841196.db2.gz MUWUNNVPQCBRKC-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO Cc1cc(N2CCC(Cc3nccs3)CC2)c(C#N)c[nH+]1 ZINC000601216333 347881630 /nfs/dbraw/zinc/88/16/30/347881630.db2.gz PRXBJEVMSQHDPY-UHFFFAOYSA-N 1 2 298.415 3.177 20 30 CGEDLO CC(C)C[C@H](C(=O)Nc1cccc(CC#N)c1)n1cc[nH+]c1 ZINC000602157519 347938819 /nfs/dbraw/zinc/93/88/19/347938819.db2.gz GLYIYPLHMAVADJ-MRXNPFEDSA-N 1 2 296.374 3.175 20 30 CGEDLO COc1cncc(C[N@H+](CCC#N)CC(C)(C)C)c1C ZINC000602465161 347962969 /nfs/dbraw/zinc/96/29/69/347962969.db2.gz JPBFSUVETKCHKY-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO COc1cncc(C[N@@H+](CCC#N)CC(C)(C)C)c1C ZINC000602465161 347962970 /nfs/dbraw/zinc/96/29/70/347962970.db2.gz JPBFSUVETKCHKY-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO Cc1ncc([C@H](C)[N@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000602466605 347963026 /nfs/dbraw/zinc/96/30/26/347963026.db2.gz YDWDTPWXDQEXQP-ZDUSSCGKSA-N 1 2 274.412 3.416 20 30 CGEDLO Cc1ncc([C@H](C)[N@@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000602466605 347963027 /nfs/dbraw/zinc/96/30/27/347963027.db2.gz YDWDTPWXDQEXQP-ZDUSSCGKSA-N 1 2 274.412 3.416 20 30 CGEDLO COc1cccc(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000602480980 347965899 /nfs/dbraw/zinc/96/58/99/347965899.db2.gz DJNKDXWMWZAFLQ-GFCCVEGCSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1cccc(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000602480980 347965902 /nfs/dbraw/zinc/96/59/02/347965902.db2.gz DJNKDXWMWZAFLQ-GFCCVEGCSA-N 1 2 258.365 3.128 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602671391 348005639 /nfs/dbraw/zinc/00/56/39/348005639.db2.gz JVCQZBTVKLKPKW-OAHLLOKOSA-N 1 2 286.375 3.093 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602671391 348005641 /nfs/dbraw/zinc/00/56/41/348005641.db2.gz JVCQZBTVKLKPKW-OAHLLOKOSA-N 1 2 286.375 3.093 20 30 CGEDLO Cn1cc[nH+]c1[C@@H](Nc1cccc(CC#N)c1)C1CC1 ZINC000602681813 348008374 /nfs/dbraw/zinc/00/83/74/348008374.db2.gz MSNGCBYWUSUOPP-HNNXBMFYSA-N 1 2 266.348 3.049 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](CC)Cc1cccs1)C(=O)OC ZINC000602732323 348020325 /nfs/dbraw/zinc/02/03/25/348020325.db2.gz ARMSUCOYJHROIA-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1ccsc1)C(=O)OC ZINC000602733005 348020961 /nfs/dbraw/zinc/02/09/61/348020961.db2.gz GIFRSESJDUIBIJ-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO COCc1cc(C#N)ccc1NCCc1ccc(C)c[nH+]1 ZINC000603395516 348079315 /nfs/dbraw/zinc/07/93/15/348079315.db2.gz PVPKLGSGMZPDGL-UHFFFAOYSA-N 1 2 281.359 3.063 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c(Cl)c1 ZINC000602882892 348040714 /nfs/dbraw/zinc/04/07/14/348040714.db2.gz VAOANSCMMLSGJH-OAHLLOKOSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c(Cl)c1 ZINC000602882892 348040717 /nfs/dbraw/zinc/04/07/17/348040717.db2.gz VAOANSCMMLSGJH-OAHLLOKOSA-N 1 2 286.766 3.272 20 30 CGEDLO CN(Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979306 348050138 /nfs/dbraw/zinc/05/01/38/348050138.db2.gz BUOAJARRQXIEFW-FUHWJXTLSA-N 1 2 294.402 3.055 20 30 CGEDLO COCC[N@@H+](C/C=C\c1ccc(Cl)cc1)CCC#N ZINC000611268714 348433184 /nfs/dbraw/zinc/43/31/84/348433184.db2.gz HBIGWMOOAHRPPW-RQOWECAXSA-N 1 2 278.783 3.215 20 30 CGEDLO COCC[N@H+](C/C=C\c1ccc(Cl)cc1)CCC#N ZINC000611268714 348433189 /nfs/dbraw/zinc/43/31/89/348433189.db2.gz HBIGWMOOAHRPPW-RQOWECAXSA-N 1 2 278.783 3.215 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)o1 ZINC000611274597 348434271 /nfs/dbraw/zinc/43/42/71/348434271.db2.gz ZQEQTBGRAKRVOV-OAHLLOKOSA-N 1 2 256.280 3.237 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)o1 ZINC000611274597 348434273 /nfs/dbraw/zinc/43/42/73/348434273.db2.gz ZQEQTBGRAKRVOV-OAHLLOKOSA-N 1 2 256.280 3.237 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000612164053 348498492 /nfs/dbraw/zinc/49/84/92/348498492.db2.gz XIYDNCUPYWVGLD-KRWDZBQOSA-N 1 2 281.359 3.467 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000612164053 348498494 /nfs/dbraw/zinc/49/84/94/348498494.db2.gz XIYDNCUPYWVGLD-KRWDZBQOSA-N 1 2 281.359 3.467 20 30 CGEDLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612165637 348499350 /nfs/dbraw/zinc/49/93/50/348499350.db2.gz ONELIIUBBPPASN-MLGOLLRUSA-N 1 2 290.363 3.061 20 30 CGEDLO COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612165637 348499352 /nfs/dbraw/zinc/49/93/52/348499352.db2.gz ONELIIUBBPPASN-MLGOLLRUSA-N 1 2 290.363 3.061 20 30 CGEDLO CCOc1cccc(C[NH2+]CC(C)(C)C#N)c1OC(F)F ZINC000612584942 348530592 /nfs/dbraw/zinc/53/05/92/348530592.db2.gz IMTMGNWJNAVACW-UHFFFAOYSA-N 1 2 298.333 3.326 20 30 CGEDLO CCCc1cccc(C[N@@H+](CCC#N)CCOC)c1 ZINC000614233487 348660611 /nfs/dbraw/zinc/66/06/11/348660611.db2.gz QWGSNGQTYNMFNY-UHFFFAOYSA-N 1 2 260.381 3.001 20 30 CGEDLO CCCc1cccc(C[N@H+](CCC#N)CCOC)c1 ZINC000614233487 348660614 /nfs/dbraw/zinc/66/06/14/348660614.db2.gz QWGSNGQTYNMFNY-UHFFFAOYSA-N 1 2 260.381 3.001 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)c(F)c1 ZINC000339522594 215229730 /nfs/dbraw/zinc/22/97/30/215229730.db2.gz BRRZACXBFWITKB-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000617786341 349012911 /nfs/dbraw/zinc/01/29/11/349012911.db2.gz XOCWNJQVQJAYNX-HNNXBMFYSA-N 1 2 295.386 3.301 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC000339568602 215247836 /nfs/dbraw/zinc/24/78/36/215247836.db2.gz JUCSZGRIQXKCQQ-ZJUUUORDSA-N 1 2 279.181 3.161 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC000339568602 215247838 /nfs/dbraw/zinc/24/78/38/215247838.db2.gz JUCSZGRIQXKCQQ-ZJUUUORDSA-N 1 2 279.181 3.161 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000618305233 349067836 /nfs/dbraw/zinc/06/78/36/349067836.db2.gz KYMYSMPIFISSBY-ZDUSSCGKSA-N 1 2 283.297 3.226 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000618305233 349067840 /nfs/dbraw/zinc/06/78/40/349067840.db2.gz KYMYSMPIFISSBY-ZDUSSCGKSA-N 1 2 283.297 3.226 20 30 CGEDLO C=CC[N@@H+](Cc1oc(C)nc1C)Cc1cccc(C#N)c1 ZINC000618904171 349177872 /nfs/dbraw/zinc/17/78/72/349177872.db2.gz UKDLFJQEIKAHQB-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO C=CC[N@H+](Cc1oc(C)nc1C)Cc1cccc(C#N)c1 ZINC000618904171 349177874 /nfs/dbraw/zinc/17/78/74/349177874.db2.gz UKDLFJQEIKAHQB-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000619534995 349257863 /nfs/dbraw/zinc/25/78/63/349257863.db2.gz LPGMIKWAJJSXQB-UHFFFAOYSA-N 1 2 289.810 3.334 20 30 CGEDLO C=C[C@@H]([NH2+]CC1(Cc2ccccc2)CCCC1)C(=O)OC ZINC000619703172 349276995 /nfs/dbraw/zinc/27/69/95/349276995.db2.gz HGYUASWDZDSANK-MRXNPFEDSA-N 1 2 287.403 3.107 20 30 CGEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000625699637 350197266 /nfs/dbraw/zinc/19/72/66/350197266.db2.gz BPPQOUWFPCHLOG-HNNXBMFYSA-N 1 2 297.402 3.367 20 30 CGEDLO C=CC[C@H]1CC[N@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000625699637 350197267 /nfs/dbraw/zinc/19/72/67/350197267.db2.gz BPPQOUWFPCHLOG-HNNXBMFYSA-N 1 2 297.402 3.367 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)C1CC1 ZINC000271345496 191087192 /nfs/dbraw/zinc/08/71/92/191087192.db2.gz COXFSBSMPZKEGJ-UHFFFAOYSA-N 1 2 299.374 3.286 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)C1CC1 ZINC000271345496 191087195 /nfs/dbraw/zinc/08/71/95/191087195.db2.gz COXFSBSMPZKEGJ-UHFFFAOYSA-N 1 2 299.374 3.286 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635770132 351690540 /nfs/dbraw/zinc/69/05/40/351690540.db2.gz KHIHETRITZUXOD-HUUCEWRRSA-N 1 2 277.412 3.331 20 30 CGEDLO C=CCCC(C)(C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000636230751 351730219 /nfs/dbraw/zinc/73/02/19/351730219.db2.gz MZRRNDCQNHJSLE-AWEZNQCLSA-N 1 2 277.412 3.331 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336446588 213310421 /nfs/dbraw/zinc/31/04/21/213310421.db2.gz YCNVPHNDJMWEHA-WCBMZHEXSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000336446588 213310422 /nfs/dbraw/zinc/31/04/22/213310422.db2.gz YCNVPHNDJMWEHA-WCBMZHEXSA-N 1 2 289.326 3.178 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000335247759 283098783 /nfs/dbraw/zinc/09/87/83/283098783.db2.gz HZQMMWBXFFJIFP-ZWKOTPCHSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000335247759 283098788 /nfs/dbraw/zinc/09/87/88/283098788.db2.gz HZQMMWBXFFJIFP-ZWKOTPCHSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893445 283151623 /nfs/dbraw/zinc/15/16/23/283151623.db2.gz GDAKIWPQVLIZPD-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091893445 283151626 /nfs/dbraw/zinc/15/16/26/283151626.db2.gz GDAKIWPQVLIZPD-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1c(C#N)cccc1NCc1c[nH+]cn1C(C)C ZINC000424169020 236127636 /nfs/dbraw/zinc/12/76/36/236127636.db2.gz GPGSTBMXLGNUCQ-UHFFFAOYSA-N 1 2 254.337 3.256 20 30 CGEDLO Cc1cc(NCc2ccc(C3CC3)cc2)c(C#N)c[nH+]1 ZINC000425255219 236224559 /nfs/dbraw/zinc/22/45/59/236224559.db2.gz NFHZXQCOLLTVRB-UHFFFAOYSA-N 1 2 263.344 3.173 20 30 CGEDLO Cc1cc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425270419 236226046 /nfs/dbraw/zinc/22/60/46/236226046.db2.gz SQUGTCAMNUQSFB-SAZUREKKSA-N 1 2 281.334 3.181 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)oc1C ZINC000425540396 236258425 /nfs/dbraw/zinc/25/84/25/236258425.db2.gz VDWDFPBELIRRPM-LBPRGKRZSA-N 1 2 269.348 3.356 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)oc1C ZINC000425540396 236258427 /nfs/dbraw/zinc/25/84/27/236258427.db2.gz VDWDFPBELIRRPM-LBPRGKRZSA-N 1 2 269.348 3.356 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000425542295 236258895 /nfs/dbraw/zinc/25/88/95/236258895.db2.gz QQMBUEGLFAJEPN-GFCCVEGCSA-N 1 2 298.390 3.432 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000425542295 236258897 /nfs/dbraw/zinc/25/88/97/236258897.db2.gz QQMBUEGLFAJEPN-GFCCVEGCSA-N 1 2 298.390 3.432 20 30 CGEDLO N#Cc1cccc(OCC[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000341754840 216091648 /nfs/dbraw/zinc/09/16/48/216091648.db2.gz UYWIVXCBQWYEES-UHFFFAOYSA-N 1 2 294.345 3.304 20 30 CGEDLO N#Cc1cccc(OCC[N@H+](CC(F)F)CC2CCC2)c1 ZINC000341754840 216091651 /nfs/dbraw/zinc/09/16/51/216091651.db2.gz UYWIVXCBQWYEES-UHFFFAOYSA-N 1 2 294.345 3.304 20 30 CGEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000298126836 200340021 /nfs/dbraw/zinc/34/00/21/200340021.db2.gz GMMSYGKUPUMETO-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCc2sccc2C1 ZINC000177260578 189040128 /nfs/dbraw/zinc/04/01/28/189040128.db2.gz WIPCUHMUYRRDBS-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCc2sccc2C1 ZINC000177260578 189040129 /nfs/dbraw/zinc/04/01/29/189040129.db2.gz WIPCUHMUYRRDBS-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000180450037 189256169 /nfs/dbraw/zinc/25/61/69/189256169.db2.gz GYYOPVUWAHUCNP-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000180450037 189256170 /nfs/dbraw/zinc/25/61/70/189256170.db2.gz GYYOPVUWAHUCNP-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO Cc1ccc(CCNc2cc(C#N)nc3ccccc32)c[nH+]1 ZINC000301536217 201054991 /nfs/dbraw/zinc/05/49/91/201054991.db2.gz ARBWXEPZCMJASJ-UHFFFAOYSA-N 1 2 288.354 3.465 20 30 CGEDLO C=C(Br)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000184011287 189373977 /nfs/dbraw/zinc/37/39/77/189373977.db2.gz CETOSZXDIXXBRL-MRVPVSSYSA-N 1 2 275.215 3.087 20 30 CGEDLO C=C(Br)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000184011287 189373978 /nfs/dbraw/zinc/37/39/78/189373978.db2.gz CETOSZXDIXXBRL-MRVPVSSYSA-N 1 2 275.215 3.087 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1ccc(F)cc1C#N ZINC000301846414 201230641 /nfs/dbraw/zinc/23/06/41/201230641.db2.gz MVYLRULOXCIOMU-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1cccc(F)c1C#N ZINC000301843789 201230671 /nfs/dbraw/zinc/23/06/71/201230671.db2.gz LDAQFNOEUIJGPZ-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cc(C3CC3)ccc2F)n1 ZINC000449371926 239356086 /nfs/dbraw/zinc/35/60/86/239356086.db2.gz ABCNAGQMGICQAM-UHFFFAOYSA-N 1 2 287.363 3.321 20 30 CGEDLO CC[N@H+](Cc1cn[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119883024 370718560 /nfs/dbraw/zinc/71/85/60/370718560.db2.gz VDEATTUBSRJDCX-CYBMUJFWSA-N 1 2 268.364 3.173 20 30 CGEDLO CC[N@@H+](Cc1cn[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119883024 370718566 /nfs/dbraw/zinc/71/85/66/370718566.db2.gz VDEATTUBSRJDCX-CYBMUJFWSA-N 1 2 268.364 3.173 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000537659065 376191270 /nfs/dbraw/zinc/19/12/70/376191270.db2.gz RWDMBGHHBNQFKD-ZRMMWKCHSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000537659065 376191275 /nfs/dbraw/zinc/19/12/75/376191275.db2.gz RWDMBGHHBNQFKD-ZRMMWKCHSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000537659062 376192423 /nfs/dbraw/zinc/19/24/23/376192423.db2.gz RWDMBGHHBNQFKD-IBUXWKBASA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000537659062 376192431 /nfs/dbraw/zinc/19/24/31/376192431.db2.gz RWDMBGHHBNQFKD-IBUXWKBASA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)cs1 ZINC000042399082 369220020 /nfs/dbraw/zinc/22/00/20/369220020.db2.gz KKEUYZHZWWQGTO-QMMMGPOBSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000042399082 369220026 /nfs/dbraw/zinc/22/00/26/369220026.db2.gz KKEUYZHZWWQGTO-QMMMGPOBSA-N 1 2 273.199 3.102 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCCCC1 ZINC000061744585 369605969 /nfs/dbraw/zinc/60/59/69/369605969.db2.gz YVXRBLPIRMPFFG-UHFFFAOYSA-N 1 2 290.432 3.389 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000066472528 369695267 /nfs/dbraw/zinc/69/52/67/369695267.db2.gz UOLPMLFBDKPKMT-SNVBAGLBSA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000066472528 369695273 /nfs/dbraw/zinc/69/52/73/369695273.db2.gz UOLPMLFBDKPKMT-SNVBAGLBSA-N 1 2 254.280 3.022 20 30 CGEDLO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000091982632 370083102 /nfs/dbraw/zinc/08/31/02/370083102.db2.gz MMXYSVYRCNRKMH-CFNZNRNTSA-N 1 2 273.336 3.090 20 30 CGEDLO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000091982632 370083109 /nfs/dbraw/zinc/08/31/09/370083109.db2.gz MMXYSVYRCNRKMH-CFNZNRNTSA-N 1 2 273.336 3.090 20 30 CGEDLO CC[N@@H+](Cc1cccc(Cl)c1F)C[C@H](C)C#N ZINC000091984015 370086328 /nfs/dbraw/zinc/08/63/28/370086328.db2.gz KMVBOSIMUMTGIK-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1cccc(Cl)c1F)C[C@H](C)C#N ZINC000091984015 370086336 /nfs/dbraw/zinc/08/63/36/370086336.db2.gz KMVBOSIMUMTGIK-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000103138841 370319761 /nfs/dbraw/zinc/31/97/61/370319761.db2.gz CQBAWNUQZLWYEZ-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000103138841 370319765 /nfs/dbraw/zinc/31/97/65/370319765.db2.gz CQBAWNUQZLWYEZ-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000104359683 370343604 /nfs/dbraw/zinc/34/36/04/370343604.db2.gz CMWZQMKBJKBEHL-LLVKDONJSA-N 1 2 282.771 3.139 20 30 CGEDLO CCCCCCCS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000119088781 370642800 /nfs/dbraw/zinc/64/28/00/370642800.db2.gz DSNSTFOSYIRTRW-UHFFFAOYSA-N 1 2 294.420 3.220 20 30 CGEDLO CC#CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133802663 371280542 /nfs/dbraw/zinc/28/05/42/371280542.db2.gz JNAPODRUELMAJB-INIZCTEOSA-N 1 2 270.763 3.437 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)cc1Br ZINC000135039816 371385840 /nfs/dbraw/zinc/38/58/40/371385840.db2.gz KJQLPTFXANZLAL-LLVKDONJSA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1cccc([C@H](O)C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC000135496320 371432188 /nfs/dbraw/zinc/43/21/88/371432188.db2.gz FIIFTQBNCWYCLC-LJQANCHMSA-N 1 2 294.398 3.444 20 30 CGEDLO Cc1cccc([C@H](O)C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC000135496320 371432195 /nfs/dbraw/zinc/43/21/95/371432195.db2.gz FIIFTQBNCWYCLC-LJQANCHMSA-N 1 2 294.398 3.444 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccco1 ZINC000287547979 371670530 /nfs/dbraw/zinc/67/05/30/371670530.db2.gz PPPVUMFCRKTMBX-CYBMUJFWSA-N 1 2 288.395 3.423 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnccc1OC ZINC000287221147 371622739 /nfs/dbraw/zinc/62/27/39/371622739.db2.gz JCEIRBFYYRKZNV-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnccc1OC ZINC000287221147 371622742 /nfs/dbraw/zinc/62/27/42/371622742.db2.gz JCEIRBFYYRKZNV-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO C=CCC1(c2nc(Cc3ccc(C)[nH+]c3)no2)CCC1 ZINC000288884646 371747452 /nfs/dbraw/zinc/74/74/52/371747452.db2.gz GWMLEORUFHXQLO-UHFFFAOYSA-N 1 2 269.348 3.362 20 30 CGEDLO C#CC[N@@H+](Cc1scnc1C)Cc1ccccc1 ZINC000289524162 371756924 /nfs/dbraw/zinc/75/69/24/371756924.db2.gz HHNRUCJOVMGKHI-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO C#CC[N@H+](Cc1scnc1C)Cc1ccccc1 ZINC000289524162 371756933 /nfs/dbraw/zinc/75/69/33/371756933.db2.gz HHNRUCJOVMGKHI-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000157928154 372043750 /nfs/dbraw/zinc/04/37/50/372043750.db2.gz QXIOASCZKSFRLX-OAHLLOKOSA-N 1 2 281.359 3.287 20 30 CGEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000157928154 372043756 /nfs/dbraw/zinc/04/37/56/372043756.db2.gz QXIOASCZKSFRLX-OAHLLOKOSA-N 1 2 281.359 3.287 20 30 CGEDLO N#C[C@H]1C[N@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000157306408 372014119 /nfs/dbraw/zinc/01/41/19/372014119.db2.gz SFSORSHVCLIBJZ-HKUYNNGSSA-N 1 2 295.430 3.053 20 30 CGEDLO N#C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000157306408 372014122 /nfs/dbraw/zinc/01/41/22/372014122.db2.gz SFSORSHVCLIBJZ-HKUYNNGSSA-N 1 2 295.430 3.053 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(C)ncn1 ZINC000428467581 372215341 /nfs/dbraw/zinc/21/53/41/372215341.db2.gz ZDMQYSDKACJQGS-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(C)ncn1 ZINC000428467581 372215346 /nfs/dbraw/zinc/21/53/46/372215346.db2.gz ZDMQYSDKACJQGS-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@@H]1c1cccnc1 ZINC000292814330 372216339 /nfs/dbraw/zinc/21/63/39/372216339.db2.gz PCVFWDAKZTZVDT-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1cccnc1 ZINC000292814330 372216344 /nfs/dbraw/zinc/21/63/44/372216344.db2.gz PCVFWDAKZTZVDT-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO C=CC[N@@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000428377542 372186975 /nfs/dbraw/zinc/18/69/75/372186975.db2.gz YDCHWGMJZFSPCC-UHFFFAOYSA-N 1 2 297.189 3.192 20 30 CGEDLO C=CC[N@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000428377542 372186983 /nfs/dbraw/zinc/18/69/83/372186983.db2.gz YDCHWGMJZFSPCC-UHFFFAOYSA-N 1 2 297.189 3.192 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428954911 372291049 /nfs/dbraw/zinc/29/10/49/372291049.db2.gz MNHAHZQGBSNWFG-SKDRFNHKSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428954911 372291053 /nfs/dbraw/zinc/29/10/53/372291053.db2.gz MNHAHZQGBSNWFG-SKDRFNHKSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000161865274 372356974 /nfs/dbraw/zinc/35/69/74/372356974.db2.gz IFBCPKNKSIGLNQ-HNNXBMFYSA-N 1 2 299.418 3.047 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000161865274 372356980 /nfs/dbraw/zinc/35/69/80/372356980.db2.gz IFBCPKNKSIGLNQ-HNNXBMFYSA-N 1 2 299.418 3.047 20 30 CGEDLO C#CCCCC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000293559501 372412163 /nfs/dbraw/zinc/41/21/63/372412163.db2.gz HWXBVUFGNPJHHZ-UHFFFAOYSA-N 1 2 295.386 3.099 20 30 CGEDLO N#Cc1ccc(Br)c(COc2cc[nH+]cc2)c1 ZINC000431475849 372475913 /nfs/dbraw/zinc/47/59/13/372475913.db2.gz HBKPHBFEWHMUSH-UHFFFAOYSA-N 1 2 289.132 3.295 20 30 CGEDLO C=CCC(F)(F)C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000293649404 372436921 /nfs/dbraw/zinc/43/69/21/372436921.db2.gz ZKSJQGSILAIYIH-UHFFFAOYSA-N 1 2 285.290 3.123 20 30 CGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433304493 372587463 /nfs/dbraw/zinc/58/74/63/372587463.db2.gz KUQOJCWUSUPEJE-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433304493 372587472 /nfs/dbraw/zinc/58/74/72/372587472.db2.gz KUQOJCWUSUPEJE-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO N#Cc1c(F)cccc1NCCCNc1cccc[nH+]1 ZINC000170639673 372645374 /nfs/dbraw/zinc/64/53/74/372645374.db2.gz NLGPWHMODZNQNN-UHFFFAOYSA-N 1 2 270.311 3.006 20 30 CGEDLO CC(C)c1nnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000171146630 372720685 /nfs/dbraw/zinc/72/06/85/372720685.db2.gz WTLLRAIFXOLHAY-UHFFFAOYSA-N 1 2 298.390 3.475 20 30 CGEDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000171146630 372720689 /nfs/dbraw/zinc/72/06/89/372720689.db2.gz WTLLRAIFXOLHAY-UHFFFAOYSA-N 1 2 298.390 3.475 20 30 CGEDLO CC[C@H](C#N)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000435931738 372825544 /nfs/dbraw/zinc/82/55/44/372825544.db2.gz ZJSKWOUHIQADPV-WBVHZDCISA-N 1 2 282.391 3.133 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000438299418 372921735 /nfs/dbraw/zinc/92/17/35/372921735.db2.gz LZYZRROSFJQRNR-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](F)CC ZINC000440705536 372990432 /nfs/dbraw/zinc/99/04/32/372990432.db2.gz PEIZMXRBECQZLK-ZDUSSCGKSA-N 1 2 266.316 3.331 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](F)CC ZINC000440705536 372990447 /nfs/dbraw/zinc/99/04/47/372990447.db2.gz PEIZMXRBECQZLK-ZDUSSCGKSA-N 1 2 266.316 3.331 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000442867597 373111232 /nfs/dbraw/zinc/11/12/32/373111232.db2.gz OLZFTZRJROYAJT-HNNXBMFYSA-N 1 2 257.337 3.412 20 30 CGEDLO CC1(C)CCCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C#N ZINC000444729771 373253504 /nfs/dbraw/zinc/25/35/04/373253504.db2.gz HRLWKYDTEHCGTB-KRWDZBQOSA-N 1 2 294.402 3.386 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1noc(C)n1 ZINC000297931886 373285639 /nfs/dbraw/zinc/28/56/39/373285639.db2.gz RFWJDMSMDSEAFH-GFCCVEGCSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1noc(C)n1 ZINC000297931886 373285641 /nfs/dbraw/zinc/28/56/41/373285641.db2.gz RFWJDMSMDSEAFH-GFCCVEGCSA-N 1 2 284.363 3.223 20 30 CGEDLO C=CC[C@H]1N(C(=O)Nc2cc[nH+]c(C)c2)CCCC1(C)C ZINC000444950801 373286210 /nfs/dbraw/zinc/28/62/10/373286210.db2.gz SXPBAPHDFGAORJ-OAHLLOKOSA-N 1 2 287.407 3.411 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nccs1 ZINC000175100193 373407807 /nfs/dbraw/zinc/40/78/07/373407807.db2.gz MBQAKFPXBSOEOL-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nccs1 ZINC000175100193 373407812 /nfs/dbraw/zinc/40/78/12/373407812.db2.gz MBQAKFPXBSOEOL-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C=CCCCC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000175684659 373504286 /nfs/dbraw/zinc/50/42/86/373504286.db2.gz FNRRLCHCGCUVSU-CQSZACIVSA-N 1 2 296.361 3.040 20 30 CGEDLO N#Cc1c(Cl)cccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000450381574 374092557 /nfs/dbraw/zinc/09/25/57/374092557.db2.gz UYZWJPYPNMJJNN-ZDUSSCGKSA-N 1 2 299.761 3.264 20 30 CGEDLO CC[C@](C)([NH2+]CC1(C#N)CCC1)c1nc(C)cs1 ZINC000450574896 374162101 /nfs/dbraw/zinc/16/21/01/374162101.db2.gz CPSIAVNBDDENFR-ZDUSSCGKSA-N 1 2 263.410 3.360 20 30 CGEDLO C=CC[N@H+](Cc1ccn(CCc2ccccc2)n1)C1CC1 ZINC000450647408 374167121 /nfs/dbraw/zinc/16/71/21/374167121.db2.gz UEKCPFFRFQOHPA-UHFFFAOYSA-N 1 2 281.403 3.276 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(CCc2ccccc2)n1)C1CC1 ZINC000450647408 374167131 /nfs/dbraw/zinc/16/71/31/374167131.db2.gz UEKCPFFRFQOHPA-UHFFFAOYSA-N 1 2 281.403 3.276 20 30 CGEDLO N#Cc1cc(NCc2cccc3[nH+]ccn32)ccc1Cl ZINC000182051572 374211767 /nfs/dbraw/zinc/21/17/67/374211767.db2.gz WNNPSBZJLJHOAP-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2nc(C)cs2)c1O ZINC000182164685 374227808 /nfs/dbraw/zinc/22/78/08/374227808.db2.gz CEAKDBXCNTVGAQ-LYQMGENXSA-N 1 2 290.388 3.388 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC#N)CC1CC1 ZINC000183330023 374401741 /nfs/dbraw/zinc/40/17/41/374401741.db2.gz IMITZEKDFVSFDN-UHFFFAOYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000183330023 374401746 /nfs/dbraw/zinc/40/17/46/374401746.db2.gz IMITZEKDFVSFDN-UHFFFAOYSA-N 1 2 273.336 3.029 20 30 CGEDLO C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328665884 374376061 /nfs/dbraw/zinc/37/60/61/374376061.db2.gz CHZNMWDTXDUDJT-DGCLKSJQSA-N 1 2 275.396 3.440 20 30 CGEDLO C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328665884 374376066 /nfs/dbraw/zinc/37/60/66/374376066.db2.gz CHZNMWDTXDUDJT-DGCLKSJQSA-N 1 2 275.396 3.440 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)CCO1 ZINC000574510093 335024588 /nfs/dbraw/zinc/02/45/88/335024588.db2.gz BWRAWBOCIYVMTA-KFWWJZLASA-N 1 2 264.413 3.206 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@H+]2CCCC(C)(C)[C@@H]2C#N)CCO1 ZINC000574510093 335024589 /nfs/dbraw/zinc/02/45/89/335024589.db2.gz BWRAWBOCIYVMTA-KFWWJZLASA-N 1 2 264.413 3.206 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nccs1 ZINC000185049998 374581019 /nfs/dbraw/zinc/58/10/19/374581019.db2.gz AZEKVROCGXKDBL-ZDUSSCGKSA-N 1 2 287.388 3.264 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185381337 374652795 /nfs/dbraw/zinc/65/27/95/374652795.db2.gz UVOPKEOQWPMQMM-CYBMUJFWSA-N 1 2 269.348 3.413 20 30 CGEDLO Cc1cc([NH2+][C@H]2CCC[C@H](C#N)C2)ccc1N1CCOCC1 ZINC000185896618 374763333 /nfs/dbraw/zinc/76/33/33/374763333.db2.gz UALGTPMWXVMKAT-HOTGVXAUSA-N 1 2 299.418 3.326 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000334394250 374711375 /nfs/dbraw/zinc/71/13/75/374711375.db2.gz BKUCRHFTJRNXFE-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000334394250 374711380 /nfs/dbraw/zinc/71/13/80/374711380.db2.gz BKUCRHFTJRNXFE-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C1 ZINC000185725729 374724590 /nfs/dbraw/zinc/72/45/90/374724590.db2.gz JNINEZJPXNBSGT-GDBMZVCRSA-N 1 2 299.418 3.142 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1 ZINC000185725729 374724594 /nfs/dbraw/zinc/72/45/94/374724594.db2.gz JNINEZJPXNBSGT-GDBMZVCRSA-N 1 2 299.418 3.142 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000483920863 375184507 /nfs/dbraw/zinc/18/45/07/375184507.db2.gz BJYJMVUNKHYQMZ-IBGZPJMESA-N 1 2 277.367 3.112 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000483920863 375184516 /nfs/dbraw/zinc/18/45/16/375184516.db2.gz BJYJMVUNKHYQMZ-IBGZPJMESA-N 1 2 277.367 3.112 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000335520475 375326744 /nfs/dbraw/zinc/32/67/44/375326744.db2.gz UFJJLUHPSGFFSH-UHFFFAOYSA-N 1 2 273.311 3.028 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000500801606 375637029 /nfs/dbraw/zinc/63/70/29/375637029.db2.gz BSZOUPLUJYPVRM-HOTGVXAUSA-N 1 2 275.392 3.023 20 30 CGEDLO N#Cc1ccccc1CSCCNc1cccc[nH+]1 ZINC000194906834 376058571 /nfs/dbraw/zinc/05/85/71/376058571.db2.gz DSFVFXXFYFATNY-UHFFFAOYSA-N 1 2 269.373 3.299 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)c2ccccc2n1)C1CC1 ZINC000540054188 376353738 /nfs/dbraw/zinc/35/37/38/376353738.db2.gz NCNFKHXJIWNHNU-UHFFFAOYSA-N 1 2 253.349 3.089 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)c2ccccc2n1)C1CC1 ZINC000540054188 376353748 /nfs/dbraw/zinc/35/37/48/376353748.db2.gz NCNFKHXJIWNHNU-UHFFFAOYSA-N 1 2 253.349 3.089 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000540529959 376380057 /nfs/dbraw/zinc/38/00/57/376380057.db2.gz DRLFDFKZATVMDI-AWEZNQCLSA-N 1 2 285.391 3.046 20 30 CGEDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000540558734 376380901 /nfs/dbraw/zinc/38/09/01/376380901.db2.gz PRPHZKUSKVZDKG-IINYFYTJSA-N 1 2 256.305 3.157 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)ccc1F ZINC000339778017 376841981 /nfs/dbraw/zinc/84/19/81/376841981.db2.gz VSKLGRUWLQPOMB-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc1F ZINC000339778017 376841990 /nfs/dbraw/zinc/84/19/90/376841990.db2.gz VSKLGRUWLQPOMB-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cccc(C[N@H+](Cc2ccncc2)C2CC2)c1F ZINC000340966757 377338238 /nfs/dbraw/zinc/33/82/38/377338238.db2.gz XXDREMOWYVBUQJ-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cccc(C[N@@H+](Cc2ccncc2)C2CC2)c1F ZINC000340966757 377338247 /nfs/dbraw/zinc/33/82/47/377338247.db2.gz XXDREMOWYVBUQJ-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cnc(Nc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC000265141597 190161038 /nfs/dbraw/zinc/16/10/38/190161038.db2.gz QMHHMKRQTYAXNF-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000249871114 377538928 /nfs/dbraw/zinc/53/89/28/377538928.db2.gz JWINBRNQGGPUHY-SWLSCSKDSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000249871114 377538931 /nfs/dbraw/zinc/53/89/31/377538931.db2.gz JWINBRNQGGPUHY-SWLSCSKDSA-N 1 2 287.407 3.112 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000249881160 377539414 /nfs/dbraw/zinc/53/94/14/377539414.db2.gz NNJMGDURKQDCHM-ZIAGYGMSSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000249881160 377539421 /nfs/dbraw/zinc/53/94/21/377539421.db2.gz NNJMGDURKQDCHM-ZIAGYGMSSA-N 1 2 287.407 3.058 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC2(CCC2)O1 ZINC000570959560 377540688 /nfs/dbraw/zinc/54/06/88/377540688.db2.gz ICTWLCJUICBMTJ-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC2(CCC2)O1 ZINC000570959560 377540695 /nfs/dbraw/zinc/54/06/95/377540695.db2.gz ICTWLCJUICBMTJ-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342745547 377770548 /nfs/dbraw/zinc/77/05/48/377770548.db2.gz UZDNTYFFHBXKAR-UHFFFAOYSA-N 1 2 295.386 3.257 20 30 CGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343317174 377952089 /nfs/dbraw/zinc/95/20/89/377952089.db2.gz CSBNBVDSTFCANJ-MRXNPFEDSA-N 1 2 294.402 3.497 20 30 CGEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343317174 377952092 /nfs/dbraw/zinc/95/20/92/377952092.db2.gz CSBNBVDSTFCANJ-MRXNPFEDSA-N 1 2 294.402 3.497 20 30 CGEDLO Cc1ccc(C(=O)C2CC[NH+](CC3(C#N)CC3)CC2)cc1 ZINC000343154701 377915514 /nfs/dbraw/zinc/91/55/14/377915514.db2.gz FQSZYGCLLIXFDC-UHFFFAOYSA-N 1 2 282.387 3.194 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000266008517 378013831 /nfs/dbraw/zinc/01/38/31/378013831.db2.gz MWKVOCSHSGGRGK-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000266008517 378013833 /nfs/dbraw/zinc/01/38/33/378013833.db2.gz MWKVOCSHSGGRGK-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO Cc1cc(NCc2ccc(OCC#N)cc2)nc(C2CC2)[nH+]1 ZINC000265298704 378002092 /nfs/dbraw/zinc/00/20/92/378002092.db2.gz CLWVHDUMXGZELO-UHFFFAOYSA-N 1 2 294.358 3.177 20 30 CGEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000343588485 378030431 /nfs/dbraw/zinc/03/04/31/378030431.db2.gz SGVVUXSMCAJKBW-ZDUSSCGKSA-N 1 2 250.292 3.309 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCOC2(CCSCC2)C1 ZINC000269378763 378215413 /nfs/dbraw/zinc/21/54/13/378215413.db2.gz UQAZGLFAIIIZBN-IQGJIOQQSA-N 1 2 291.416 3.256 20 30 CGEDLO CCCOc1ncccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000269458258 378224509 /nfs/dbraw/zinc/22/45/09/378224509.db2.gz XKGLLBVJIPJVQH-UHFFFAOYSA-N 1 2 299.349 3.171 20 30 CGEDLO CO[C@H](C)c1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000582179327 378291985 /nfs/dbraw/zinc/29/19/85/378291985.db2.gz XEXGEEGBFFXNLJ-GFCCVEGCSA-N 1 2 293.436 3.366 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)OCC ZINC000270052169 378299952 /nfs/dbraw/zinc/29/99/52/378299952.db2.gz MNZOTWPVSGOQEU-OAHLLOKOSA-N 1 2 299.374 3.387 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000270568410 378369939 /nfs/dbraw/zinc/36/99/39/378369939.db2.gz ALWYYDHITAJFRM-OCUXDJNSSA-N 1 2 291.391 3.413 20 30 CGEDLO C[C@H]([NH2+]Cc1nccs1)c1ccc(C#N)c(F)c1 ZINC000346138009 378477424 /nfs/dbraw/zinc/47/74/24/378477424.db2.gz SFTNJSSMLCDEEM-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000348287476 378888616 /nfs/dbraw/zinc/88/86/16/378888616.db2.gz UMHYBRZPPHQSIN-RNCFNFMXSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000348287476 378888622 /nfs/dbraw/zinc/88/86/22/378888622.db2.gz UMHYBRZPPHQSIN-RNCFNFMXSA-N 1 2 286.272 3.470 20 30 CGEDLO CC#CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000348509430 378971324 /nfs/dbraw/zinc/97/13/24/378971324.db2.gz BZMAVZLYEAZRNV-UHFFFAOYSA-N 1 2 262.300 3.010 20 30 CGEDLO C=CC[N@H+]([C@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000639057103 378989397 /nfs/dbraw/zinc/98/93/97/378989397.db2.gz CRJFEKPRIJROBW-AWEZNQCLSA-N 1 2 260.385 3.077 20 30 CGEDLO C=CC[N@@H+]([C@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000639057103 378989399 /nfs/dbraw/zinc/98/93/99/378989399.db2.gz CRJFEKPRIJROBW-AWEZNQCLSA-N 1 2 260.385 3.077 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000277141901 379081762 /nfs/dbraw/zinc/08/17/62/379081762.db2.gz DTPFCAFRLRVNJI-NEPJUHHUSA-N 1 2 283.379 3.041 20 30 CGEDLO CCn1cc[nH+]c1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371852715 379179330 /nfs/dbraw/zinc/17/93/30/379179330.db2.gz JPFVSBBTBUDVDG-IAGOWNOFSA-N 1 2 294.402 3.175 20 30 CGEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000278984514 194241595 /nfs/dbraw/zinc/24/15/95/194241595.db2.gz YUBWEDVSTJOOEM-QGZVFWFLSA-N 1 2 299.374 3.096 20 30 CGEDLO C=CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280345170 379683775 /nfs/dbraw/zinc/68/37/75/379683775.db2.gz SKOXURJBLZDXBK-TZMCWYRMSA-N 1 2 290.407 3.132 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000280811087 379796384 /nfs/dbraw/zinc/79/63/84/379796384.db2.gz UHAZSTWOVGHLBT-IUODEOHRSA-N 1 2 281.783 3.116 20 30 CGEDLO N#CC1(F)CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000352448238 379817884 /nfs/dbraw/zinc/81/78/84/379817884.db2.gz FWNHROMNATWILU-UHFFFAOYSA-N 1 2 282.746 3.046 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000390212604 379905609 /nfs/dbraw/zinc/90/56/09/379905609.db2.gz VZUALDIROIZORB-SSDOTTSWSA-N 1 2 261.127 3.382 20 30 CGEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)C(F)F)ccc1OC ZINC000641793886 380107674 /nfs/dbraw/zinc/10/76/74/380107674.db2.gz NORNDQAZUCOYMS-NSHDSACASA-N 1 2 285.334 3.393 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000411159929 380132403 /nfs/dbraw/zinc/13/24/03/380132403.db2.gz AIBNHPJRJMBBQB-ZDUSSCGKSA-N 1 2 290.432 3.410 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000354033077 380289618 /nfs/dbraw/zinc/28/96/18/380289618.db2.gz HRYHXBWZJOAIGZ-ZDUSSCGKSA-N 1 2 280.375 3.201 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000354033077 380289621 /nfs/dbraw/zinc/28/96/21/380289621.db2.gz HRYHXBWZJOAIGZ-ZDUSSCGKSA-N 1 2 280.375 3.201 20 30 CGEDLO C[N@H+](Cc1cc(Cl)cc2c1OCC2)CC(C)(C)C#N ZINC000354034775 380290573 /nfs/dbraw/zinc/29/05/73/380290573.db2.gz CADSPYHHTGBLME-UHFFFAOYSA-N 1 2 278.783 3.256 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)cc2c1OCC2)CC(C)(C)C#N ZINC000354034775 380290577 /nfs/dbraw/zinc/29/05/77/380290577.db2.gz CADSPYHHTGBLME-UHFFFAOYSA-N 1 2 278.783 3.256 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000354035425 380291739 /nfs/dbraw/zinc/29/17/39/380291739.db2.gz YHAAIQOWSQXKKE-ZDUSSCGKSA-N 1 2 280.375 3.201 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000354035425 380291744 /nfs/dbraw/zinc/29/17/44/380291744.db2.gz YHAAIQOWSQXKKE-ZDUSSCGKSA-N 1 2 280.375 3.201 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951839 380864299 /nfs/dbraw/zinc/86/42/99/380864299.db2.gz RFDNKFLXFGKBSA-NEPJUHHUSA-N 1 2 273.302 3.094 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951839 380864303 /nfs/dbraw/zinc/86/43/03/380864303.db2.gz RFDNKFLXFGKBSA-NEPJUHHUSA-N 1 2 273.302 3.094 20 30 CGEDLO N#CCC[N@H+](CCCc1ccsc1)Cc1ccccn1 ZINC000360966547 381635985 /nfs/dbraw/zinc/63/59/85/381635985.db2.gz RHAVAMSWMDSQRG-UHFFFAOYSA-N 1 2 285.416 3.492 20 30 CGEDLO N#CCC[N@@H+](CCCc1ccsc1)Cc1ccccn1 ZINC000360966547 381635993 /nfs/dbraw/zinc/63/59/93/381635993.db2.gz RHAVAMSWMDSQRG-UHFFFAOYSA-N 1 2 285.416 3.492 20 30 CGEDLO C=CCCC1(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000361724690 381866257 /nfs/dbraw/zinc/86/62/57/381866257.db2.gz DEDIAWKZTCPYFW-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO CC(C)(C#N)CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000365348864 382285721 /nfs/dbraw/zinc/28/57/21/382285721.db2.gz XUJNCAIGPUSTIJ-HNNXBMFYSA-N 1 2 297.406 3.204 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCc2occc2C1 ZINC000288854559 197180117 /nfs/dbraw/zinc/18/01/17/197180117.db2.gz PKEVLFMROMUZJW-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCc2occc2C1 ZINC000288854559 197180119 /nfs/dbraw/zinc/18/01/19/197180119.db2.gz PKEVLFMROMUZJW-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)no1 ZINC000283433679 195858075 /nfs/dbraw/zinc/85/80/75/195858075.db2.gz HLWKDWMCMQGEGV-NEPJUHHUSA-N 1 2 255.321 3.267 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1O ZINC000093100848 392234121 /nfs/dbraw/zinc/23/41/21/392234121.db2.gz PQUVAEOULAXCQX-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1O ZINC000093100848 392234127 /nfs/dbraw/zinc/23/41/27/392234127.db2.gz PQUVAEOULAXCQX-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000361689190 392296297 /nfs/dbraw/zinc/29/62/97/392296297.db2.gz HQINHMKARBWMBN-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000361689190 392296299 /nfs/dbraw/zinc/29/62/99/392296299.db2.gz HQINHMKARBWMBN-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000285976432 392358380 /nfs/dbraw/zinc/35/83/80/392358380.db2.gz FBWTXZXQPLIJDY-INIZCTEOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000285976432 392358383 /nfs/dbraw/zinc/35/83/83/392358383.db2.gz FBWTXZXQPLIJDY-INIZCTEOSA-N 1 2 285.778 3.252 20 30 CGEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450452786 542673850 /nfs/dbraw/zinc/67/38/50/542673850.db2.gz KLTQAZWVPPSMAN-ZUOKHONESA-N 1 2 290.432 3.111 20 30 CGEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450452786 542673854 /nfs/dbraw/zinc/67/38/54/542673854.db2.gz KLTQAZWVPPSMAN-ZUOKHONESA-N 1 2 290.432 3.111 20 30 CGEDLO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C#N)CC1 ZINC000145647163 392480428 /nfs/dbraw/zinc/48/04/28/392480428.db2.gz SILLSOQHRPNALT-LBPRGKRZSA-N 1 2 282.347 3.033 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000369380044 392497959 /nfs/dbraw/zinc/49/79/59/392497959.db2.gz QVIGAVNNEMCNNX-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000369380044 392497966 /nfs/dbraw/zinc/49/79/66/392497966.db2.gz QVIGAVNNEMCNNX-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO C=C(C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302029991 392607538 /nfs/dbraw/zinc/60/75/38/392607538.db2.gz JQADRBXWJVVVCZ-UHFFFAOYSA-N 1 2 298.346 3.373 20 30 CGEDLO CCOc1ccccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338360318 392912330 /nfs/dbraw/zinc/91/23/30/392912330.db2.gz PKEKKERCHWGGLR-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO CCOc1ccccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338360318 392912333 /nfs/dbraw/zinc/91/23/33/392912333.db2.gz PKEKKERCHWGGLR-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2[nH+]1 ZINC000519683815 392881999 /nfs/dbraw/zinc/88/19/99/392881999.db2.gz PESJSILHGCJYSZ-QGZVFWFLSA-N 1 2 294.358 3.284 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000342856835 393011210 /nfs/dbraw/zinc/01/12/10/393011210.db2.gz IGVLJEKMDXRFRI-GFCCVEGCSA-N 1 2 278.783 3.341 20 30 CGEDLO N#CCc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237834485 393036335 /nfs/dbraw/zinc/03/63/35/393036335.db2.gz KJVHADGKLYNBHG-UHFFFAOYSA-N 1 2 292.386 3.229 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000348767969 393130842 /nfs/dbraw/zinc/13/08/42/393130842.db2.gz YPZYERBVCUCTNN-CQSZACIVSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000348767969 393130848 /nfs/dbraw/zinc/13/08/48/393130848.db2.gz YPZYERBVCUCTNN-CQSZACIVSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCC[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834509 393132497 /nfs/dbraw/zinc/13/24/97/393132497.db2.gz QMAMDKGBZDRICG-CYBMUJFWSA-N 1 2 256.353 3.093 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1C#N ZINC000359839838 393555393 /nfs/dbraw/zinc/55/53/93/393555393.db2.gz DYPSGRLSXJBXOG-AWEZNQCLSA-N 1 2 278.355 3.341 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccccc1C#N ZINC000359839838 393555400 /nfs/dbraw/zinc/55/54/00/393555400.db2.gz DYPSGRLSXJBXOG-AWEZNQCLSA-N 1 2 278.355 3.341 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2cn3c(n2)CCCC3)ccc1C#N ZINC000488971907 393567590 /nfs/dbraw/zinc/56/75/90/393567590.db2.gz CVFQSFVBIRWLKZ-UHFFFAOYSA-N 1 2 294.402 3.032 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)ccc1C#N ZINC000488971907 393567597 /nfs/dbraw/zinc/56/75/97/393567597.db2.gz CVFQSFVBIRWLKZ-UHFFFAOYSA-N 1 2 294.402 3.032 20 30 CGEDLO Cc1cc(CN(C)Cc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000488971907 393567601 /nfs/dbraw/zinc/56/76/01/393567601.db2.gz CVFQSFVBIRWLKZ-UHFFFAOYSA-N 1 2 294.402 3.032 20 30 CGEDLO CC1(C)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)[C@@H]1C#N ZINC000450857314 394037456 /nfs/dbraw/zinc/03/74/56/394037456.db2.gz JLDHBBHFPFGUNK-VXGBXAGGSA-N 1 2 256.340 3.436 20 30 CGEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@@H]1C#N ZINC000450857314 394037460 /nfs/dbraw/zinc/03/74/60/394037460.db2.gz JLDHBBHFPFGUNK-VXGBXAGGSA-N 1 2 256.340 3.436 20 30 CGEDLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453191454 394200398 /nfs/dbraw/zinc/20/03/98/394200398.db2.gz INMOYNHZKQCIMF-NWDGAFQWSA-N 1 2 286.354 3.326 20 30 CGEDLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453191453 394200510 /nfs/dbraw/zinc/20/05/10/394200510.db2.gz INMOYNHZKQCIMF-NEPJUHHUSA-N 1 2 286.354 3.326 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667955966 542949453 /nfs/dbraw/zinc/94/94/53/542949453.db2.gz PSBIQQWJQQEROH-CYBMUJFWSA-N 1 2 284.363 3.215 20 30 CGEDLO C=C(C)CN(Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000668090115 542968011 /nfs/dbraw/zinc/96/80/11/542968011.db2.gz FYLRBDWWIVVQLG-UHFFFAOYSA-N 1 2 269.392 3.307 20 30 CGEDLO COCC#CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000677819073 543468129 /nfs/dbraw/zinc/46/81/29/543468129.db2.gz QCMMWZWYYBMBDJ-INIZCTEOSA-N 1 2 279.330 3.142 20 30 CGEDLO COCC#CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000677819073 543468131 /nfs/dbraw/zinc/46/81/31/543468131.db2.gz QCMMWZWYYBMBDJ-INIZCTEOSA-N 1 2 279.330 3.142 20 30 CGEDLO Cc1[nH]nc2ncc(C[N@@H+](CCC#N)CC(C)(C)C)cc12 ZINC000353436037 533675284 /nfs/dbraw/zinc/67/52/84/533675284.db2.gz NOXVSAGZZSNUNN-UHFFFAOYSA-N 1 2 285.395 3.028 20 30 CGEDLO Cc1[nH]nc2ncc(C[N@H+](CCC#N)CC(C)(C)C)cc12 ZINC000353436037 533675279 /nfs/dbraw/zinc/67/52/79/533675279.db2.gz NOXVSAGZZSNUNN-UHFFFAOYSA-N 1 2 285.395 3.028 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(F)F ZINC000334670211 287061566 /nfs/dbraw/zinc/06/15/66/287061566.db2.gz GZNAXTSKZBVKGU-NOZJJQNGSA-N 1 2 250.292 3.179 20 30 CGEDLO COc1cc(C)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092156616 165284558 /nfs/dbraw/zinc/28/45/58/165284558.db2.gz QDHAMLWZCOXEHL-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](c2ccccc2)O1 ZINC000092486303 165299221 /nfs/dbraw/zinc/29/92/21/165299221.db2.gz LOQLDOZKNDZDNO-CXAGYDPISA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](c2ccccc2)O1 ZINC000092486303 165299224 /nfs/dbraw/zinc/29/92/24/165299224.db2.gz LOQLDOZKNDZDNO-CXAGYDPISA-N 1 2 282.343 3.113 20 30 CGEDLO N#Cc1csc(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000093692328 287118784 /nfs/dbraw/zinc/11/87/84/287118784.db2.gz BFVIGKBLUXIBSN-UHFFFAOYSA-N 1 2 289.429 3.003 20 30 CGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679223893 543602321 /nfs/dbraw/zinc/60/23/21/543602321.db2.gz MJCMZSZLQPJVOE-IUODEOHRSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679223893 543602324 /nfs/dbraw/zinc/60/23/24/543602324.db2.gz MJCMZSZLQPJVOE-IUODEOHRSA-N 1 2 265.759 3.371 20 30 CGEDLO COC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000347613880 226202690 /nfs/dbraw/zinc/20/26/90/226202690.db2.gz DXZGTGMZUNZGOU-OAHLLOKOSA-N 1 2 289.762 3.262 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000684764369 544027148 /nfs/dbraw/zinc/02/71/48/544027148.db2.gz LVLUUBBAJCQVEQ-JSGCOSHPSA-N 1 2 275.396 3.167 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000354855636 227172138 /nfs/dbraw/zinc/17/21/38/227172138.db2.gz SNMAAUPTNMZRIW-UHFFFAOYSA-N 1 2 292.386 3.474 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1(C)C ZINC000655034329 419016220 /nfs/dbraw/zinc/01/62/20/419016220.db2.gz YCXYXRKDYCFZBS-DZGCQCFKSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000655034329 419016223 /nfs/dbraw/zinc/01/62/23/419016223.db2.gz YCXYXRKDYCFZBS-DZGCQCFKSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccccc2C)nn1 ZINC000653504226 419039682 /nfs/dbraw/zinc/03/96/82/419039682.db2.gz LYHPVQZNOKEBQT-OAHLLOKOSA-N 1 2 284.407 3.356 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccccc2C)nn1 ZINC000653504226 419039687 /nfs/dbraw/zinc/03/96/87/419039687.db2.gz LYHPVQZNOKEBQT-OAHLLOKOSA-N 1 2 284.407 3.356 20 30 CGEDLO C=CCC1(NC(=O)N[C@@H](C)c2[nH+]ccn2CC)CCCC1 ZINC000665045024 419045479 /nfs/dbraw/zinc/04/54/79/419045479.db2.gz AZOMGYGKVKFPET-ZDUSSCGKSA-N 1 2 290.411 3.152 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(CC)C1=O ZINC000659817875 418999531 /nfs/dbraw/zinc/99/95/31/418999531.db2.gz QMXWKNJQPLHVTK-LBPRGKRZSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(CC)C1=O ZINC000659817875 418999532 /nfs/dbraw/zinc/99/95/32/418999532.db2.gz QMXWKNJQPLHVTK-LBPRGKRZSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CCCn1cc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)nn1 ZINC000653584037 419054371 /nfs/dbraw/zinc/05/43/71/419054371.db2.gz FEWIYDLRHZSNGM-ZDUSSCGKSA-N 1 2 286.379 3.173 20 30 CGEDLO C=CCCn1cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)nn1 ZINC000653584037 419054373 /nfs/dbraw/zinc/05/43/73/419054373.db2.gz FEWIYDLRHZSNGM-ZDUSSCGKSA-N 1 2 286.379 3.173 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000665951608 419173836 /nfs/dbraw/zinc/17/38/36/419173836.db2.gz PRDKSDFVLKPIJP-GASCZTMLSA-N 1 2 296.374 3.358 20 30 CGEDLO C[C@@]1(C2CC2)C[N@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000661169513 419237781 /nfs/dbraw/zinc/23/77/81/419237781.db2.gz VFBFOSXGOOCOIH-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@@]1(C2CC2)C[N@@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000661169513 419237783 /nfs/dbraw/zinc/23/77/83/419237783.db2.gz VFBFOSXGOOCOIH-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000331381669 228096575 /nfs/dbraw/zinc/09/65/75/228096575.db2.gz GUDVRTZPOGTATE-GXFFZTMASA-N 1 2 273.361 3.185 20 30 CGEDLO N#CCC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000336043218 228181924 /nfs/dbraw/zinc/18/19/24/228181924.db2.gz OWPIMPCIPRTZNO-UHFFFAOYSA-N 1 2 262.303 3.358 20 30 CGEDLO C=CC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662191454 419353222 /nfs/dbraw/zinc/35/32/22/419353222.db2.gz KGKRBJXGSJIKOE-UHFFFAOYSA-N 1 2 252.155 3.259 20 30 CGEDLO C=CC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662191454 419353227 /nfs/dbraw/zinc/35/32/27/419353227.db2.gz KGKRBJXGSJIKOE-UHFFFAOYSA-N 1 2 252.155 3.259 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000427012306 260548268 /nfs/dbraw/zinc/54/82/68/260548268.db2.gz OLAQEJCWEYUKLC-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000427012306 260548269 /nfs/dbraw/zinc/54/82/69/260548269.db2.gz OLAQEJCWEYUKLC-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N(CCC#N)CCC(C)C ZINC000121390351 260709858 /nfs/dbraw/zinc/70/98/58/260709858.db2.gz JZDFTMZQJFSAFR-UHFFFAOYSA-N 1 2 274.368 3.184 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(OC)ccc1F)c1ccc(F)cc1 ZINC000491179650 261362469 /nfs/dbraw/zinc/36/24/69/261362469.db2.gz GWCFZBCPNPARSY-KRWDZBQOSA-N 1 2 287.309 3.438 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000185730108 262068401 /nfs/dbraw/zinc/06/84/01/262068401.db2.gz MSXOOSFVEDGOOB-YSVLISHTSA-N 1 2 286.375 3.349 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(CCCC)n1 ZINC000191075997 262188997 /nfs/dbraw/zinc/18/89/97/262188997.db2.gz HFURFRBJKCPTRK-UHFFFAOYSA-N 1 2 268.426 3.120 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(CCCC)n1 ZINC000191075997 262188999 /nfs/dbraw/zinc/18/89/99/262188999.db2.gz HFURFRBJKCPTRK-UHFFFAOYSA-N 1 2 268.426 3.120 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(-c2ccccc2C)n1 ZINC000120952601 262263803 /nfs/dbraw/zinc/26/38/03/262263803.db2.gz UKAAYIIUKSASGJ-UHFFFAOYSA-N 1 2 271.364 3.443 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(-c2ccccc2C)n1 ZINC000120952601 262263804 /nfs/dbraw/zinc/26/38/04/262263804.db2.gz UKAAYIIUKSASGJ-UHFFFAOYSA-N 1 2 271.364 3.443 20 30 CGEDLO Cn1c(Cl)cnc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271828995 263000017 /nfs/dbraw/zinc/00/00/17/263000017.db2.gz WHGUDEAVSBRPPA-CYBMUJFWSA-N 1 2 288.782 3.208 20 30 CGEDLO Cc1cnc([C@H](C)C/[NH+]=C/c2cccc(O)c2O)s1 ZINC000273185881 263013665 /nfs/dbraw/zinc/01/36/65/263013665.db2.gz HXYMTVSQEBDPRN-KOLYXTFFSA-N 1 2 276.361 3.085 20 30 CGEDLO CC(C)(C#N)c1ccccc1COc1cc[nH+]cc1 ZINC000276424003 263036833 /nfs/dbraw/zinc/03/68/33/263036833.db2.gz HWWIJUWANJMCNY-UHFFFAOYSA-N 1 2 252.317 3.462 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1cc(OCC)ccc1O ZINC000281721708 263071398 /nfs/dbraw/zinc/07/13/98/263071398.db2.gz IHGWOLPKMHUVMW-YRGCLOEYSA-N 1 2 289.375 3.191 20 30 CGEDLO COc1ccc2oc([C@@H](C)[NH2+]CCC#N)c(C)c2c1 ZINC000298817210 263226594 /nfs/dbraw/zinc/22/65/94/263226594.db2.gz FWBTWPSUOZQOAE-LLVKDONJSA-N 1 2 258.321 3.314 20 30 CGEDLO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CC1 ZINC000299706258 263253235 /nfs/dbraw/zinc/25/32/35/263253235.db2.gz PQMIFTYADOVWDK-UHFFFAOYSA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CC1 ZINC000299706258 263253238 /nfs/dbraw/zinc/25/32/38/263253238.db2.gz PQMIFTYADOVWDK-UHFFFAOYSA-N 1 2 289.766 3.139 20 30 CGEDLO C=C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000341995636 263374173 /nfs/dbraw/zinc/37/41/73/263374173.db2.gz PUYNUSKHDZPMDM-UHFFFAOYSA-N 1 2 268.360 3.311 20 30 CGEDLO Cc1cc(F)c(C[NH+]2CCC(F)(C#N)CC2)c(F)c1 ZINC000425390559 264215218 /nfs/dbraw/zinc/21/52/18/264215218.db2.gz YVLYDNBRSVKINN-UHFFFAOYSA-N 1 2 268.282 3.101 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000343254445 264222809 /nfs/dbraw/zinc/22/28/09/264222809.db2.gz VKAHREXOYYQPNB-CYBMUJFWSA-N 1 2 276.405 3.033 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000343254445 264222810 /nfs/dbraw/zinc/22/28/10/264222810.db2.gz VKAHREXOYYQPNB-CYBMUJFWSA-N 1 2 276.405 3.033 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000180045057 264394921 /nfs/dbraw/zinc/39/49/21/264394921.db2.gz UVAWRENMBOINTN-CQSZACIVSA-N 1 2 257.337 3.175 20 30 CGEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C#N)CC1 ZINC000057906804 264420046 /nfs/dbraw/zinc/42/00/46/264420046.db2.gz KMUOROQVDXMSCF-GFCCVEGCSA-N 1 2 282.347 3.033 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)o1 ZINC000189191427 270070830 /nfs/dbraw/zinc/07/08/30/270070830.db2.gz HMMOOWXMDRURBS-UHFFFAOYSA-N 1 2 264.687 3.234 20 30 CGEDLO CC[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000356754870 266169588 /nfs/dbraw/zinc/16/95/88/266169588.db2.gz DSJJPUXKZICJBZ-GJZGRUSLSA-N 1 2 296.374 3.065 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000357414614 266292746 /nfs/dbraw/zinc/29/27/46/266292746.db2.gz YWFDNHODYIRDKX-QGZVFWFLSA-N 1 2 295.386 3.112 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)c1cc(C)n(CCC)c1C ZINC000301764696 267499872 /nfs/dbraw/zinc/49/98/72/267499872.db2.gz RJQXKEDNLBSCFJ-UHFFFAOYSA-N 1 2 274.408 3.372 20 30 CGEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000554849093 289313328 /nfs/dbraw/zinc/31/33/28/289313328.db2.gz VEMWVWWGCGOGSP-XJKSGUPXSA-N 1 2 288.391 3.187 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)cn2)sc1C ZINC000559290090 289541564 /nfs/dbraw/zinc/54/15/64/289541564.db2.gz HZLRHRDCEOYXBX-UHFFFAOYSA-N 1 2 286.404 3.052 20 30 CGEDLO N#Cc1sc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1Cl ZINC000278773869 295005193 /nfs/dbraw/zinc/00/51/93/295005193.db2.gz VBAUBSKUYGVJDG-QMMMGPOBSA-N 1 2 293.783 3.123 20 30 CGEDLO Cn1cc[nH+]c1[C@@H]1N(c2cccc(F)c2C#N)CC1(C)C ZINC000296443337 303001196 /nfs/dbraw/zinc/00/11/96/303001196.db2.gz ZPVGUDYRGRFCKX-AWEZNQCLSA-N 1 2 284.338 3.018 20 30 CGEDLO CC#CCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338187023 327970320 /nfs/dbraw/zinc/97/03/20/327970320.db2.gz WBWNFOMLLWOPRB-UHFFFAOYSA-N 1 2 280.327 3.017 20 30 CGEDLO C=CCCCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000563373772 328058127 /nfs/dbraw/zinc/05/81/27/328058127.db2.gz MUISQQOPFCTYTJ-AWEZNQCLSA-N 1 2 290.411 3.393 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000565168695 328071931 /nfs/dbraw/zinc/07/19/31/328071931.db2.gz FDUOTCKKMVJRSU-SNVBAGLBSA-N 1 2 297.189 3.423 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000161035958 328120382 /nfs/dbraw/zinc/12/03/82/328120382.db2.gz VHWBVJRZGFAEJV-CABCVRRESA-N 1 2 261.365 3.235 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000161013927 328118068 /nfs/dbraw/zinc/11/80/68/328118068.db2.gz LHUWCKCVHZHTAU-ABAIWWIYSA-N 1 2 277.318 3.449 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000161014025 328118132 /nfs/dbraw/zinc/11/81/32/328118132.db2.gz LHUWCKCVHZHTAU-IAQYHMDHSA-N 1 2 277.318 3.449 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2cccnc2)cc1 ZINC000266948083 328170869 /nfs/dbraw/zinc/17/08/69/328170869.db2.gz TUTLIUQBPNMGBE-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2cccnc2)cc1 ZINC000266948083 328170871 /nfs/dbraw/zinc/17/08/71/328170871.db2.gz TUTLIUQBPNMGBE-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCSc1ccccc1F ZINC000268275483 328183809 /nfs/dbraw/zinc/18/38/09/328183809.db2.gz DJMJSEMFRBUANH-NSHDSACASA-N 1 2 252.358 3.152 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1ccccc1F ZINC000268275483 328183810 /nfs/dbraw/zinc/18/38/10/328183810.db2.gz DJMJSEMFRBUANH-NSHDSACASA-N 1 2 252.358 3.152 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CC1 ZINC000271182513 328195747 /nfs/dbraw/zinc/19/57/47/328195747.db2.gz XVCNHXMPKDNKBR-AWEZNQCLSA-N 1 2 291.420 3.120 20 30 CGEDLO N#CCC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)CC1CC1 ZINC000271182513 328195748 /nfs/dbraw/zinc/19/57/48/328195748.db2.gz XVCNHXMPKDNKBR-AWEZNQCLSA-N 1 2 291.420 3.120 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000274473801 328211482 /nfs/dbraw/zinc/21/14/82/328211482.db2.gz CYKGBQGIOBCPLR-NSHDSACASA-N 1 2 281.450 3.173 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000274473801 328211483 /nfs/dbraw/zinc/21/14/83/328211483.db2.gz CYKGBQGIOBCPLR-NSHDSACASA-N 1 2 281.450 3.173 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000559459108 327246335 /nfs/dbraw/zinc/24/63/35/327246335.db2.gz MUOFTKXNSJKZSW-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000559459108 327246336 /nfs/dbraw/zinc/24/63/36/327246336.db2.gz MUOFTKXNSJKZSW-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO C=CCCCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000584361173 329102510 /nfs/dbraw/zinc/10/25/10/329102510.db2.gz FWSJMLKFIMTPJV-ZDUSSCGKSA-N 1 2 276.409 3.292 20 30 CGEDLO C=CC[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196780 329634856 /nfs/dbraw/zinc/63/48/56/329634856.db2.gz YBOJZHWKJBTSTO-DZGCQCFKSA-N 1 2 283.375 3.013 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000425273489 329654329 /nfs/dbraw/zinc/65/43/29/329654329.db2.gz OSUYGUCRFVVYEK-CMPLNLGQSA-N 1 2 282.303 3.247 20 30 CGEDLO C=C(C)COCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450386481 330975694 /nfs/dbraw/zinc/97/56/94/330975694.db2.gz HAHUZGNLRAGQRL-UHFFFAOYSA-N 1 2 282.347 3.116 20 30 CGEDLO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)cc(Cl)c1O ZINC000459316228 331275969 /nfs/dbraw/zinc/27/59/69/331275969.db2.gz AXLUCWGIOMZUCL-NSHDSACASA-N 1 2 296.798 3.426 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)cc(Cl)c1O ZINC000459316228 331275970 /nfs/dbraw/zinc/27/59/70/331275970.db2.gz AXLUCWGIOMZUCL-NSHDSACASA-N 1 2 296.798 3.426 20 30 CGEDLO C=CCCCC[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000471865461 331522722 /nfs/dbraw/zinc/52/27/22/331522722.db2.gz LXRCMAVFOZLEEU-HNNXBMFYSA-N 1 2 261.365 3.155 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc(OCC)n1)c1ccc(F)cc1 ZINC000491317019 332189275 /nfs/dbraw/zinc/18/92/75/332189275.db2.gz ZFMRVJNYXVUHPX-MRXNPFEDSA-N 1 2 284.334 3.084 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)C1CC1 ZINC000491535163 332231093 /nfs/dbraw/zinc/23/10/93/332231093.db2.gz AIWNWKTWQNRWIH-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1ccc(-c2ncco2)cc1F)C1CC1 ZINC000491535163 332231094 /nfs/dbraw/zinc/23/10/94/332231094.db2.gz AIWNWKTWQNRWIH-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(CC)s1)c1ccc(F)cc1 ZINC000491699957 332294563 /nfs/dbraw/zinc/29/45/63/332294563.db2.gz FSFPRFGYXVVRSW-CQSZACIVSA-N 1 2 274.364 3.309 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(Cl)cc1 ZINC000491819399 332369424 /nfs/dbraw/zinc/36/94/24/332369424.db2.gz NSZIXVSPXKDBNX-MRXNPFEDSA-N 1 2 295.773 3.452 20 30 CGEDLO CCOC[C@H]([NH2+][C@H](C#N)C1CCCCC1)C(C)C ZINC000189806422 333199395 /nfs/dbraw/zinc/19/93/95/333199395.db2.gz NAIMOTLFCPCGKI-CABCVRRESA-N 1 2 252.402 3.110 20 30 CGEDLO C=CCOc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545219840 333970493 /nfs/dbraw/zinc/97/04/93/333970493.db2.gz ARGIVKHZLQXNMO-UHFFFAOYSA-N 1 2 279.343 3.325 20 30 CGEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1Cl ZINC000545927875 334007000 /nfs/dbraw/zinc/00/70/00/334007000.db2.gz KBBGTHDZIXUFTD-UHFFFAOYSA-N 1 2 287.750 3.422 20 30 CGEDLO CC#CC[N@@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000550128824 334213951 /nfs/dbraw/zinc/21/39/51/334213951.db2.gz OJUGUAYLBKINQF-UHFFFAOYSA-N 1 2 294.398 3.148 20 30 CGEDLO CC#CC[N@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000550128824 334213952 /nfs/dbraw/zinc/21/39/52/334213952.db2.gz OJUGUAYLBKINQF-UHFFFAOYSA-N 1 2 294.398 3.148 20 30 CGEDLO C=C(C)CCc1noc(-c2ccn3c(C)c[nH+]c3c2)n1 ZINC000581676544 336126983 /nfs/dbraw/zinc/12/69/83/336126983.db2.gz AGFPSDZUFPTUJH-UHFFFAOYSA-N 1 2 268.320 3.201 20 30 CGEDLO Cc1ccn2cc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)[nH+]c2c1 ZINC000329003833 534357931 /nfs/dbraw/zinc/35/79/31/534357931.db2.gz WSERUMGFRXUJFI-CHWSQXEVSA-N 1 2 299.374 3.105 20 30 CGEDLO Cc1nc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cs1 ZINC000358200505 534544408 /nfs/dbraw/zinc/54/44/08/534544408.db2.gz IKZZPDRPOGQIHF-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000352451401 534567019 /nfs/dbraw/zinc/56/70/19/534567019.db2.gz WOBULLUAVYXIAB-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO C=C(C)CNC(=O)CCn1c2ccccc2[nH+]c1CCC ZINC000355925300 526612705 /nfs/dbraw/zinc/61/27/05/526612705.db2.gz AMLWAPUGCRHFLM-UHFFFAOYSA-N 1 2 285.391 3.071 20 30 CGEDLO CC(C)(C)c1cnc(C[NH+]2CCC(C#N)CC2)s1 ZINC000334139551 526818867 /nfs/dbraw/zinc/81/88/67/526818867.db2.gz APEOJVJRNSSRER-UHFFFAOYSA-N 1 2 263.410 3.176 20 30 CGEDLO C=CCCCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000352548852 527161864 /nfs/dbraw/zinc/16/18/64/527161864.db2.gz WXGJTXXFXJFNBS-UHFFFAOYSA-N 1 2 272.352 3.121 20 30 CGEDLO C=C[C@H](CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000347947125 527574506 /nfs/dbraw/zinc/57/45/06/527574506.db2.gz ZMDVIRSETZGWCH-ZBFHGGJFSA-N 1 2 295.386 3.433 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1csnn1)c1ccc(C#N)cc1 ZINC000414294770 529205751 /nfs/dbraw/zinc/20/57/51/529205751.db2.gz DUUOENQCIAPKBH-ZWNOBZJWSA-N 1 2 272.377 3.212 20 30 CGEDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cn1 ZINC000519059352 535065981 /nfs/dbraw/zinc/06/59/81/535065981.db2.gz FUBKAEWYQXVTFW-GFCCVEGCSA-N 1 2 286.354 3.326 20 30 CGEDLO CC(=[NH+]Nc1cnc2ccccc2n1)c1ccc(N)cc1 ZINC000727259016 571735743 /nfs/dbraw/zinc/73/57/43/571735743.db2.gz ZRLNNQFNSDKBRL-UHFFFAOYSA-N 1 2 277.331 3.048 20 30 CGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1cccc(F)c1 ZINC000728694867 571815539 /nfs/dbraw/zinc/81/55/39/571815539.db2.gz LKOGZZBYVWAWLN-SNAWJCMRSA-N 1 2 298.239 3.481 20 30 CGEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)[nH]1 ZINC000730147442 571951135 /nfs/dbraw/zinc/95/11/35/571951135.db2.gz FTHWSCITTPIQLF-UHFFFAOYSA-N 1 2 264.332 3.048 20 30 CGEDLO CCc1cnc(CC/[NH+]=C\c2c(O)cccc2OC)s1 ZINC000743043987 572392857 /nfs/dbraw/zinc/39/28/57/572392857.db2.gz CBWHOZHZLZDVIC-YBEGLDIGSA-N 1 2 290.388 3.081 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)ccc1O ZINC000740765671 572456414 /nfs/dbraw/zinc/45/64/14/572456414.db2.gz NAVSLROEZJUBGQ-SOFGYWHQSA-N 1 2 278.311 3.244 20 30 CGEDLO Cc1cccc([C@H](C)C/[NH+]=C\c2c(O)c(C)ncc2CO)c1 ZINC000741166332 572487242 /nfs/dbraw/zinc/48/72/42/572487242.db2.gz ZWGRWHWUQAEMGE-XTBHVRTMSA-N 1 2 298.386 3.119 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C\c2cccc(O)c2O)c1 ZINC000732925932 572492325 /nfs/dbraw/zinc/49/23/25/572492325.db2.gz IFTCFTAEXZFHEM-OTWJJXBCSA-N 1 2 285.343 3.157 20 30 CGEDLO Oc1ccccc1/C=[NH+]\[C@@H]1C[C@H]1Cc1ccccc1 ZINC000741464144 572499981 /nfs/dbraw/zinc/49/99/81/572499981.db2.gz LGYKPXYBBPELOU-JFNRVDGVSA-N 1 2 251.329 3.442 20 30 CGEDLO CO[C@@H](C)CC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000726428475 572576351 /nfs/dbraw/zinc/57/63/51/572576351.db2.gz BKOMIGNHNJOTDO-OOIIIRTPSA-N 1 2 257.333 3.389 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]/CC[C@@H]2CCCC[C@H]2C)c1O ZINC000733904152 572612201 /nfs/dbraw/zinc/61/22/01/572612201.db2.gz VFVZWWMKXYCQFP-DFGDDMDISA-N 1 2 290.407 3.223 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CC[C@H](SC)C2)c1O ZINC000743043145 572636061 /nfs/dbraw/zinc/63/60/61/572636061.db2.gz SEMXYYRUYMNVIP-CUBVEXIESA-N 1 2 279.405 3.494 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1nc2ccccc2s1 ZINC000734160153 572636612 /nfs/dbraw/zinc/63/66/12/572636612.db2.gz ULTCUOQNFUJBTR-NEPJUHHUSA-N 1 2 284.388 3.390 20 30 CGEDLO CCC(CC)[C@H](CC/[NH+]=C\c1ccc(O)c(O)c1O)OC ZINC000746522539 572876385 /nfs/dbraw/zinc/87/63/85/572876385.db2.gz NLRYUNDAXNCAJB-XGHPXPSOSA-N 1 2 295.379 3.064 20 30 CGEDLO CC(C)C[N@@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000747495454 572933172 /nfs/dbraw/zinc/93/31/72/572933172.db2.gz RWRBLZKANWLFKH-UHFFFAOYSA-N 1 2 258.340 3.049 20 30 CGEDLO CC(C)C[N@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000747495454 572933175 /nfs/dbraw/zinc/93/31/75/572933175.db2.gz RWRBLZKANWLFKH-UHFFFAOYSA-N 1 2 258.340 3.049 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cnn(C(C)C)c3)n21 ZINC000748998854 572987964 /nfs/dbraw/zinc/98/79/64/572987964.db2.gz SVMDBQIYKLSSOK-FPLPWBNLSA-N 1 2 294.358 3.316 20 30 CGEDLO CC(C)(C)c1nc(NCc2ccc(OCC#N)cc2)cc[nH+]1 ZINC000749279576 572991560 /nfs/dbraw/zinc/99/15/60/572991560.db2.gz VNCXQFDNWJXENP-UHFFFAOYSA-N 1 2 296.374 3.289 20 30 CGEDLO CC(C)CO[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000749637164 573027103 /nfs/dbraw/zinc/02/71/03/573027103.db2.gz ZOFKZQCUFKAHIX-UHFFFAOYSA-N 1 2 287.816 3.403 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC000957068162 613295651 /nfs/dbraw/zinc/29/56/51/613295651.db2.gz PURDWLGZHAGUND-AEFFLSMTSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970288396 613371548 /nfs/dbraw/zinc/37/15/48/613371548.db2.gz RELNJKVDOHYBFR-TZMCWYRMSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974870228 613381065 /nfs/dbraw/zinc/38/10/65/613381065.db2.gz IJPXZZWUYSKFOD-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974870228 613381066 /nfs/dbraw/zinc/38/10/66/613381066.db2.gz IJPXZZWUYSKFOD-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccccc2C2CCC2)C1 ZINC000957334154 613657979 /nfs/dbraw/zinc/65/79/79/613657979.db2.gz OANFZNMXEJUIKU-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3cnn(C(C)C)c3)c[nH+]c12 ZINC000254952526 617691172 /nfs/dbraw/zinc/69/11/72/617691172.db2.gz LRJFTFYSPNKZCW-SREVYHEPSA-N 1 2 294.358 3.316 20 30 CGEDLO C#CCN(Cc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000804839382 617892730 /nfs/dbraw/zinc/89/27/30/617892730.db2.gz GRFOPCIAPSNSHX-UHFFFAOYSA-N 1 2 277.371 3.302 20 30 CGEDLO COc1cccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000255138129 617980912 /nfs/dbraw/zinc/98/09/12/617980912.db2.gz PCNUQRNXDVMJON-HJWRWDBZSA-N 1 2 278.311 3.239 20 30 CGEDLO C=CC(C)(C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000891267929 618070085 /nfs/dbraw/zinc/07/00/85/618070085.db2.gz FWDLWLGDMZDACM-CQSZACIVSA-N 1 2 283.375 3.013 20 30 CGEDLO CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(C#N)c1O ZINC000926120149 618106611 /nfs/dbraw/zinc/10/66/11/618106611.db2.gz BGYPEQBCOPIIKD-HOCLYGCPSA-N 1 2 288.391 3.264 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(F)c1 ZINC000255367063 618221575 /nfs/dbraw/zinc/22/15/75/618221575.db2.gz KYDYNHRZVZWIRR-FPLPWBNLSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000934462344 618623855 /nfs/dbraw/zinc/62/38/55/618623855.db2.gz SYSCWHBUBIQNKE-GXTWGEPZSA-N 1 2 269.348 3.448 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000934462344 618623857 /nfs/dbraw/zinc/62/38/57/618623857.db2.gz SYSCWHBUBIQNKE-GXTWGEPZSA-N 1 2 269.348 3.448 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006909310 618820421 /nfs/dbraw/zinc/82/04/21/618820421.db2.gz UNRUMIQEQVOZHP-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006909310 618820422 /nfs/dbraw/zinc/82/04/22/618820422.db2.gz UNRUMIQEQVOZHP-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CCCn1cnc2ccccc21 ZINC000255895864 618865821 /nfs/dbraw/zinc/86/58/21/618865821.db2.gz IECZOBLSARYNCD-PDGQHHTCSA-N 1 2 279.343 3.251 20 30 CGEDLO Cc1cc(CO[NH+]=C(N)c2ccccc2)c2ccccc2n1 ZINC000172381333 618935250 /nfs/dbraw/zinc/93/52/50/618935250.db2.gz BTDLFMKKHCBAMO-UHFFFAOYSA-N 1 2 291.354 3.380 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000893470015 619185329 /nfs/dbraw/zinc/18/53/29/619185329.db2.gz GLHVZOQEECRVBM-UHFFFAOYSA-N 1 2 278.787 3.066 20 30 CGEDLO C=C1CCC(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000888939191 619292176 /nfs/dbraw/zinc/29/21/76/619292176.db2.gz FTCMAMYQAAQCBH-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151284 619304274 /nfs/dbraw/zinc/30/42/74/619304274.db2.gz XGMNDSLUOSKERJ-JKSUJKDBSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151284 619304276 /nfs/dbraw/zinc/30/42/76/619304276.db2.gz XGMNDSLUOSKERJ-JKSUJKDBSA-N 1 2 276.424 3.494 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cn2c(n1)CCCC2 ZINC000924978403 619472742 /nfs/dbraw/zinc/47/27/42/619472742.db2.gz GTUAFPSRXWJAFT-GFCCVEGCSA-N 1 2 298.365 3.081 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(Cl)cc1 ZINC000894552747 619574226 /nfs/dbraw/zinc/57/42/26/619574226.db2.gz KAJWPTBUQOAAHN-OAHLLOKOSA-N 1 2 299.805 3.026 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCCC2CCOCC2)c1O ZINC000840704713 620069816 /nfs/dbraw/zinc/06/98/16/620069816.db2.gz AKJRHVYBIJTUCW-AQTBWJFISA-N 1 2 291.391 3.417 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2CCOC(C)(C)C2)c1 ZINC000840709560 620103448 /nfs/dbraw/zinc/10/34/48/620103448.db2.gz JYFARVHFQAKVSP-UEMWTREESA-N 1 2 277.364 3.025 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000897072072 620135292 /nfs/dbraw/zinc/13/52/92/620135292.db2.gz CDCBAMRVGRLVQX-INIZCTEOSA-N 1 2 281.334 3.260 20 30 CGEDLO COc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1F ZINC000897624585 620412574 /nfs/dbraw/zinc/41/25/74/620412574.db2.gz QEIBEIRVXAVGPK-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO COc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1F ZINC000897624585 620412577 /nfs/dbraw/zinc/41/25/77/620412577.db2.gz QEIBEIRVXAVGPK-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO Cc1cc(C)c(CNC(=O)c2c(C)cc(C#N)cc2C)c[nH+]1 ZINC000899157542 620623445 /nfs/dbraw/zinc/62/34/45/620623445.db2.gz BTKGFFZSUACTJE-UHFFFAOYSA-N 1 2 293.370 3.117 20 30 CGEDLO CC(=NNc1[nH+]ccn1C)c1csc(C(F)(F)F)c1 ZINC000901236057 620845070 /nfs/dbraw/zinc/84/50/70/620845070.db2.gz MCJBMMZBQGECPP-UHFFFAOYSA-N 1 2 288.298 3.337 20 30 CGEDLO Cc1oc(C(C)(C)C)cc1C=NNCCCn1cc[nH+]c1 ZINC000901262195 620849289 /nfs/dbraw/zinc/84/92/89/620849289.db2.gz VTZHCAJZDVOLHO-UHFFFAOYSA-N 1 2 288.395 3.096 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(C)c(C)c1 ZINC000901415830 620881056 /nfs/dbraw/zinc/88/10/56/620881056.db2.gz AESIHHXILCBYLZ-BQYQJAHWSA-N 1 2 254.333 3.416 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/COc2ccccc2C1=O ZINC000901417921 620881557 /nfs/dbraw/zinc/88/15/57/620881557.db2.gz QFLOZVNWKFDUBQ-GHXNOFRVSA-N 1 2 268.316 3.123 20 30 CGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc2c(c1)CCCC2 ZINC000901440479 620887964 /nfs/dbraw/zinc/88/79/64/620887964.db2.gz VJUAPDZADGZQJU-CMDGGOBGSA-N 1 2 266.344 3.195 20 30 CGEDLO Cc1[nH]c(/C=C2\Oc3cc(C)c(C)cc3C2=O)[nH+]c1C ZINC000901481888 620892720 /nfs/dbraw/zinc/89/27/20/620892720.db2.gz GIVWTMSEZPBDEH-AUWJEWJLSA-N 1 2 268.316 3.260 20 30 CGEDLO CCOc1cccc(C(=O)/C=C\c2c[nH+]cn2CC)c1 ZINC000901468001 620895983 /nfs/dbraw/zinc/89/59/83/620895983.db2.gz LAOADPVDKRQOLO-HJWRWDBZSA-N 1 2 270.332 3.198 20 30 CGEDLO Cc1[nH]c(/C=C2\CCOc3cc(F)ccc3C2=O)[nH+]c1C ZINC000901490707 620898823 /nfs/dbraw/zinc/89/88/23/620898823.db2.gz NRRZEMLDHZIQAH-YRNVUSSQSA-N 1 2 286.306 3.214 20 30 CGEDLO COc1cccc2c1OCC/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901541949 620920793 /nfs/dbraw/zinc/92/07/93/620920793.db2.gz BFNXYHBFTYCZPW-XFXZXTDPSA-N 1 2 298.342 3.084 20 30 CGEDLO C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000902878766 621482065 /nfs/dbraw/zinc/48/20/65/621482065.db2.gz LRXAVCMNHMHJEO-BMIGLBTASA-N 1 2 299.761 3.391 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@@]1(F)c1ccccc1)c1cc(C#N)ccn1 ZINC000903027059 621544396 /nfs/dbraw/zinc/54/43/96/621544396.db2.gz ZMKOLKWLZGDTLV-JCURWCKSSA-N 1 2 281.334 3.241 20 30 CGEDLO C=C[C@@H](CC)Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000903997118 621849718 /nfs/dbraw/zinc/84/97/18/621849718.db2.gz QCYTXHXEQKABQG-ZDUSSCGKSA-N 1 2 296.374 3.371 20 30 CGEDLO C#CCCOc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1 ZINC000150908299 622693927 /nfs/dbraw/zinc/69/39/27/622693927.db2.gz GCEBIYLRDPBYTK-UHFFFAOYSA-N 1 2 295.386 3.162 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711377 623566871 /nfs/dbraw/zinc/56/68/71/623566871.db2.gz RALRPTYHQUBAIF-SFHVURJKSA-N 1 2 297.402 3.269 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993775143 624062333 /nfs/dbraw/zinc/06/23/33/624062333.db2.gz NKDSPIVKXKJBHO-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993775143 624062341 /nfs/dbraw/zinc/06/23/41/624062341.db2.gz NKDSPIVKXKJBHO-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccsc2)n1)C(C)C ZINC000917069072 624233283 /nfs/dbraw/zinc/23/32/83/624233283.db2.gz GDXMLWNLYYWLAH-UHFFFAOYSA-N 1 2 263.366 3.195 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccsc2)n1)C(C)C ZINC000917069072 624233284 /nfs/dbraw/zinc/23/32/84/624233284.db2.gz GDXMLWNLYYWLAH-UHFFFAOYSA-N 1 2 263.366 3.195 20 30 CGEDLO CN(C)c1[nH+]cc(CSCCC#N)c2ccccc21 ZINC000917848316 624316069 /nfs/dbraw/zinc/31/60/69/624316069.db2.gz YXFNAUIUBMFOMU-UHFFFAOYSA-N 1 2 271.389 3.448 20 30 CGEDLO N#Cc1ccccc1CO[NH+]=C(N)Cc1ccccc1Cl ZINC000072035577 625224160 /nfs/dbraw/zinc/22/41/60/625224160.db2.gz BVRMVMKDPMCHNX-UHFFFAOYSA-N 1 2 299.761 3.243 20 30 CGEDLO Cc1ccccc1CO[NH+]=C(N)Cc1ccccc1 ZINC000108446461 625849914 /nfs/dbraw/zinc/84/99/14/625849914.db2.gz JNNHGZRGMIXWSN-UHFFFAOYSA-N 1 2 254.333 3.027 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2csc(C#N)c2)s1 ZINC000921817028 625886323 /nfs/dbraw/zinc/88/63/23/625886323.db2.gz VWHWUFFGMJDDBE-SECBINFHSA-N 1 2 263.391 3.236 20 30 CGEDLO C(=NOC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000774603188 626178383 /nfs/dbraw/zinc/17/83/83/626178383.db2.gz OPNHVCMLQHYPAN-UHFFFAOYSA-N 1 2 255.321 3.165 20 30 CGEDLO C#CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000839042772 626308883 /nfs/dbraw/zinc/30/88/83/626308883.db2.gz NIBFSZDXTMSCHJ-ZBFHGGJFSA-N 1 2 273.376 3.025 20 30 CGEDLO C#CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000839042772 626308887 /nfs/dbraw/zinc/30/88/87/626308887.db2.gz NIBFSZDXTMSCHJ-ZBFHGGJFSA-N 1 2 273.376 3.025 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000753138221 626446244 /nfs/dbraw/zinc/44/62/44/626446244.db2.gz ZXNYKHSHOKUVBJ-CYBMUJFWSA-N 1 2 266.182 3.212 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000753138221 626446246 /nfs/dbraw/zinc/44/62/46/626446246.db2.gz ZXNYKHSHOKUVBJ-CYBMUJFWSA-N 1 2 266.182 3.212 20 30 CGEDLO CC(=[NH+]N[C@H](C)CC#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000754710202 626583490 /nfs/dbraw/zinc/58/34/90/626583490.db2.gz CFWZWEYFEYHCHE-SSDOTTSWSA-N 1 2 285.178 3.191 20 30 CGEDLO C#CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756759144 626729696 /nfs/dbraw/zinc/72/96/96/626729696.db2.gz UCSDRUSMOKIUAE-SNVBAGLBSA-N 1 2 253.292 3.125 20 30 CGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000757611480 626793579 /nfs/dbraw/zinc/79/35/79/626793579.db2.gz DADLSGXTJCURNJ-UHFFFAOYSA-N 1 2 293.754 3.036 20 30 CGEDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000761217527 627026232 /nfs/dbraw/zinc/02/62/32/627026232.db2.gz VZMAQPILNVPDPS-HNNXBMFYSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000761217527 627026235 /nfs/dbraw/zinc/02/62/35/627026235.db2.gz VZMAQPILNVPDPS-HNNXBMFYSA-N 1 2 294.782 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C(C)C ZINC000766019385 627287530 /nfs/dbraw/zinc/28/75/30/627287530.db2.gz IXSIZTBCEIXUFE-LLVKDONJSA-N 1 2 269.414 3.280 20 30 CGEDLO C=CC[N@H+](Cc1nc([C@@H](C)SCC)no1)C(C)C ZINC000766019385 627287532 /nfs/dbraw/zinc/28/75/32/627287532.db2.gz IXSIZTBCEIXUFE-LLVKDONJSA-N 1 2 269.414 3.280 20 30 CGEDLO C#CCCCO[NH+]=C(N)c1cccc2ccccc21 ZINC000766741998 627357501 /nfs/dbraw/zinc/35/75/01/627357501.db2.gz OBKMUEZRNQVRIA-UHFFFAOYSA-N 1 2 252.317 3.100 20 30 CGEDLO Cc1cccc2ncc(C[N@@H+](CCC#N)CC(C)C)n21 ZINC000768155232 627464040 /nfs/dbraw/zinc/46/40/40/627464040.db2.gz WTVLYJHIHVQSAR-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1cccc2ncc(C[N@H+](CCC#N)CC(C)C)n21 ZINC000768155232 627464041 /nfs/dbraw/zinc/46/40/41/627464041.db2.gz WTVLYJHIHVQSAR-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO C=CCN(C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000770069068 627601831 /nfs/dbraw/zinc/60/18/31/627601831.db2.gz UVDSJJVNJOUISK-UHFFFAOYSA-N 1 2 277.327 3.167 20 30 CGEDLO Cc1ccc(C)c(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771096245 627682031 /nfs/dbraw/zinc/68/20/31/627682031.db2.gz DAIPYNWKIIRXJS-UHFFFAOYSA-N 1 2 264.332 3.397 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3snc(Cl)c3C#N)ccc21 ZINC000771240343 627692581 /nfs/dbraw/zinc/69/25/81/627692581.db2.gz OTAFOESKWSIDEY-UHFFFAOYSA-N 1 2 289.751 3.298 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642484 628118562 /nfs/dbraw/zinc/11/85/62/628118562.db2.gz VVMHANZALLRJJK-ZUZCIYMTSA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642484 628118565 /nfs/dbraw/zinc/11/85/65/628118565.db2.gz VVMHANZALLRJJK-ZUZCIYMTSA-N 1 2 296.773 3.137 20 30 CGEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)Cc1cccs1 ZINC000776746624 628229954 /nfs/dbraw/zinc/22/99/54/628229954.db2.gz WSUQKJCZZLQPNF-UHFFFAOYSA-N 1 2 285.372 3.169 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C(C)(C)C)o1 ZINC000778996285 628381549 /nfs/dbraw/zinc/38/15/49/628381549.db2.gz LDRZXZYKFGFLEX-UHFFFAOYSA-N 1 2 289.379 3.191 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C(C)(C)C)o1 ZINC000778996285 628381551 /nfs/dbraw/zinc/38/15/51/628381551.db2.gz LDRZXZYKFGFLEX-UHFFFAOYSA-N 1 2 289.379 3.191 20 30 CGEDLO CC1(C#N)CC[NH+](Cn2ccc(-c3ccsc3)n2)CC1 ZINC000779878332 628439275 /nfs/dbraw/zinc/43/92/75/628439275.db2.gz GYSAFHNUNKWPDO-UHFFFAOYSA-N 1 2 286.404 3.195 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000780782454 628517139 /nfs/dbraw/zinc/51/71/39/628517139.db2.gz RAFSDWIDRWZGLF-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(F)(F)C(F)F ZINC000782651716 628658002 /nfs/dbraw/zinc/65/80/02/628658002.db2.gz AERPTKAHHJOXAD-LURJTMIESA-N 1 2 269.204 3.453 20 30 CGEDLO CC(=[NH+]O[C@@H]1CCCCO1)c1ccc(N)cc1Cl ZINC000782908902 628667676 /nfs/dbraw/zinc/66/76/76/628667676.db2.gz XIPZAGCJAZBANR-CYBMUJFWSA-N 1 2 268.744 3.189 20 30 CGEDLO C=C[C@@H](CC(=O)OCCCn1cc[nH+]c1)c1ccccc1 ZINC000784402963 628812802 /nfs/dbraw/zinc/81/28/02/628812802.db2.gz PLTKNQHTVOOCHC-HNNXBMFYSA-N 1 2 284.359 3.176 20 30 CGEDLO Cc1ccc2c(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc(=O)oc2c1 ZINC000784451391 628814406 /nfs/dbraw/zinc/81/44/06/628814406.db2.gz VHKWJEYWJRSWSE-SFHVURJKSA-N 1 2 296.370 3.227 20 30 CGEDLO Cc1ccc2c(C[N@H+]3CCC[C@@](C)(C#N)C3)cc(=O)oc2c1 ZINC000784451391 628814407 /nfs/dbraw/zinc/81/44/07/628814407.db2.gz VHKWJEYWJRSWSE-SFHVURJKSA-N 1 2 296.370 3.227 20 30 CGEDLO C(=NNC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000786043771 628910716 /nfs/dbraw/zinc/91/07/16/628910716.db2.gz XDSIIOFMAGAULN-UHFFFAOYSA-N 1 2 268.364 3.129 20 30 CGEDLO Nc1cc(CON=C(c2ccccc2)C(F)(F)F)cc[nH+]1 ZINC000792133267 629339839 /nfs/dbraw/zinc/33/98/39/629339839.db2.gz JNNPNKBWXSIGGF-UHFFFAOYSA-N 1 2 295.264 3.147 20 30 CGEDLO CO[C@@H]1C[C@@H](c2ccccc2)CCC1=[NH+]n1cccn1 ZINC000863163887 629486981 /nfs/dbraw/zinc/48/69/81/629486981.db2.gz SETQNRWXCRZGPM-GOEBONIOSA-N 1 2 269.348 3.070 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000797998253 630012940 /nfs/dbraw/zinc/01/29/40/630012940.db2.gz DGEQVSHNJRCLEN-USBNGQNGSA-N 1 2 297.345 3.302 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000802805708 630414553 /nfs/dbraw/zinc/41/45/53/630414553.db2.gz AVJOLJKDSZKZPI-KRWDZBQOSA-N 1 2 297.358 3.164 20 30 CGEDLO COc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1F ZINC000810152360 630847978 /nfs/dbraw/zinc/84/79/78/630847978.db2.gz PFGMSNOOPKFVNQ-VIFPVBQESA-N 1 2 291.351 3.013 20 30 CGEDLO CC(=NOC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812237185 631227545 /nfs/dbraw/zinc/22/75/45/631227545.db2.gz OMYXGYFIVOUDHB-UHFFFAOYSA-N 1 2 255.321 3.165 20 30 CGEDLO C#C[C@H](Nc1nc(C)[nH+]c(C)c1C)c1ccc(F)cc1 ZINC000812486154 631267752 /nfs/dbraw/zinc/26/77/52/631267752.db2.gz FZXONIOPFDWFOE-HNNXBMFYSA-N 1 2 269.323 3.327 20 30 CGEDLO C#CC[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccccc1 ZINC000840278020 631341268 /nfs/dbraw/zinc/34/12/68/631341268.db2.gz MHWIUTJUFZQAKL-HNNXBMFYSA-N 1 2 278.359 3.227 20 30 CGEDLO C#CC[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccccc1 ZINC000840278020 631341274 /nfs/dbraw/zinc/34/12/74/631341274.db2.gz MHWIUTJUFZQAKL-HNNXBMFYSA-N 1 2 278.359 3.227 20 30 CGEDLO C#CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCCCC1 ZINC000817459404 632166813 /nfs/dbraw/zinc/16/68/13/632166813.db2.gz XZBGSARBRJKQHG-UHFFFAOYSA-N 1 2 284.403 3.288 20 30 CGEDLO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866222854 633033757 /nfs/dbraw/zinc/03/37/57/633033757.db2.gz ZKZXTBVWGPCCDA-VXGBXAGGSA-N 1 2 270.332 3.139 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000866244234 633042731 /nfs/dbraw/zinc/04/27/31/633042731.db2.gz ZKKXHHPZZWMACO-OLZOCXBDSA-N 1 2 256.349 3.271 20 30 CGEDLO CCCC[C@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269591 633055392 /nfs/dbraw/zinc/05/53/92/633055392.db2.gz JZXVFCAHTFTGGI-GXTWGEPZSA-N 1 2 276.380 3.120 20 30 CGEDLO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866274794 633058459 /nfs/dbraw/zinc/05/84/59/633058459.db2.gz TZHPLDMOMAQSNI-RAIGVLPGSA-N 1 2 276.405 3.199 20 30 CGEDLO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(C#N)c1O ZINC000866283723 633064848 /nfs/dbraw/zinc/06/48/48/633064848.db2.gz ACDZGYMSQZTLFT-IAQYHMDHSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(C#N)c1O ZINC000866346021 633090809 /nfs/dbraw/zinc/09/08/09/633090809.db2.gz GJXIIPMLIYZSIQ-SMDDNHRTSA-N 1 2 256.349 3.247 20 30 CGEDLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866370537 633107218 /nfs/dbraw/zinc/10/72/18/633107218.db2.gz XSIGFUQVEJWAFT-APHBMKBZSA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000866386865 633116263 /nfs/dbraw/zinc/11/62/63/633116263.db2.gz IDKVUSSABKCXLL-UBHSHLNASA-N 1 2 288.391 3.261 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000866393058 633120100 /nfs/dbraw/zinc/12/01/00/633120100.db2.gz LGTTYJUPOBVCNE-CABZTGNLSA-N 1 2 280.318 3.206 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)C#CC3CC3)c2)[nH+]c1C ZINC000837363096 634895997 /nfs/dbraw/zinc/89/59/97/634895997.db2.gz MYRULDQIKPSKOJ-UHFFFAOYSA-N 1 2 279.343 3.045 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](CC(=C)Cl)C(=O)OCC ZINC000877672204 635141323 /nfs/dbraw/zinc/14/13/23/635141323.db2.gz YONJDEWLWNPEJL-VXGBXAGGSA-N 1 2 259.777 3.005 20 30 CGEDLO CC(=[NH+]NC12CC(C1)C2)c1cc(Cl)c(N)c(Cl)c1 ZINC000842545510 635398105 /nfs/dbraw/zinc/39/81/05/635398105.db2.gz FYSITWSLFYLXRO-UHFFFAOYSA-N 1 2 284.190 3.442 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535398 636016003 /nfs/dbraw/zinc/01/60/03/636016003.db2.gz BXYZEWONBCBCBF-KSSFIOAISA-N 1 2 275.355 3.388 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535398 636016007 /nfs/dbraw/zinc/01/60/07/636016007.db2.gz BXYZEWONBCBCBF-KSSFIOAISA-N 1 2 275.355 3.388 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000847024061 636314964 /nfs/dbraw/zinc/31/49/64/636314964.db2.gz HHEZTNNCNHVTND-LBPRGKRZSA-N 1 2 291.778 3.093 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000847024061 636314972 /nfs/dbraw/zinc/31/49/72/636314972.db2.gz HHEZTNNCNHVTND-LBPRGKRZSA-N 1 2 291.778 3.093 20 30 CGEDLO Cc1ccc(NCCCc2cccc(C)[nH+]2)c(C#N)n1 ZINC000882349588 636318630 /nfs/dbraw/zinc/31/86/30/636318630.db2.gz RXIDTVVCMQNPRH-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO CC(C)(C)c1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848417872 636572507 /nfs/dbraw/zinc/57/25/07/636572507.db2.gz GPKZDQORRCVOHL-UHFFFAOYSA-N 1 2 284.407 3.194 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000133156007 636876951 /nfs/dbraw/zinc/87/69/51/636876951.db2.gz NAUQJDZDIAQTJK-CMDGGOBGSA-N 1 2 273.295 3.102 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000852329294 637636501 /nfs/dbraw/zinc/63/65/01/637636501.db2.gz XRLYTGRAZRNUEG-WBVHZDCISA-N 1 2 267.376 3.047 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000852329294 637636506 /nfs/dbraw/zinc/63/65/06/637636506.db2.gz XRLYTGRAZRNUEG-WBVHZDCISA-N 1 2 267.376 3.047 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCOC2(C)C)c(O)c1 ZINC000852998044 637727424 /nfs/dbraw/zinc/72/74/24/637727424.db2.gz GXPSNKLNQGTXEN-VZWMTCDZSA-N 1 2 277.364 3.025 20 30 CGEDLO C(=NOCC1CCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000853439584 637843922 /nfs/dbraw/zinc/84/39/22/637843922.db2.gz MOBKYPXVDULDPC-UHFFFAOYSA-N 1 2 261.350 3.084 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC[C@@H]1OC ZINC000853468935 637850081 /nfs/dbraw/zinc/85/00/81/637850081.db2.gz AWGRKMIKAPMHIE-GJZGRUSLSA-N 1 2 288.391 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCO[C@H](C)C1 ZINC000853467138 637850314 /nfs/dbraw/zinc/85/03/14/637850314.db2.gz CTDCYLHVIUMOMW-CABCVRRESA-N 1 2 288.391 3.101 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(CC=C)c2=S)C1 ZINC000853536088 637863769 /nfs/dbraw/zinc/86/37/69/637863769.db2.gz LEDLRVFYJGQDPO-CQSZACIVSA-N 1 2 292.452 3.154 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C)n(CC=C)c2=S)C1 ZINC000853536088 637863771 /nfs/dbraw/zinc/86/37/71/637863771.db2.gz LEDLRVFYJGQDPO-CQSZACIVSA-N 1 2 292.452 3.154 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000853536816 637863957 /nfs/dbraw/zinc/86/39/57/637863957.db2.gz IRHQAPPFXFCREF-CYBMUJFWSA-N 1 2 292.452 3.303 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000853536816 637863958 /nfs/dbraw/zinc/86/39/58/637863958.db2.gz IRHQAPPFXFCREF-CYBMUJFWSA-N 1 2 292.452 3.303 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C)sc2=S)C1 ZINC000853535941 637864367 /nfs/dbraw/zinc/86/43/67/637864367.db2.gz HAWAPIAENODJHE-NSHDSACASA-N 1 2 269.439 3.228 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C)sc2=S)C1 ZINC000853535941 637864370 /nfs/dbraw/zinc/86/43/70/637864370.db2.gz HAWAPIAENODJHE-NSHDSACASA-N 1 2 269.439 3.228 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCCF ZINC000853639302 637879091 /nfs/dbraw/zinc/87/90/91/637879091.db2.gz IYKONEPLBOBLFS-UHFFFAOYSA-N 1 2 250.317 3.035 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)CC#N ZINC000853681602 637891229 /nfs/dbraw/zinc/89/12/29/637891229.db2.gz GAHHBWNIBHRMRP-UHFFFAOYSA-N 1 2 271.364 3.226 20 30 CGEDLO CC[C@@H]([NH2+]CCc1cscn1)c1cccc(C#N)c1O ZINC000925286706 638491883 /nfs/dbraw/zinc/49/18/83/638491883.db2.gz SIUXIQNWVGQHFX-CQSZACIVSA-N 1 2 287.388 3.004 20 30 CGEDLO N#CC1(CC[N@@H+]2Cc3ccncc3C2)CCCCC1 ZINC000857881104 638593184 /nfs/dbraw/zinc/59/31/84/638593184.db2.gz CCIUSHOHEDKCKG-UHFFFAOYSA-N 1 2 255.365 3.261 20 30 CGEDLO N#CC1(CC[N@H+]2Cc3ccncc3C2)CCCCC1 ZINC000857881104 638593197 /nfs/dbraw/zinc/59/31/97/638593197.db2.gz CCIUSHOHEDKCKG-UHFFFAOYSA-N 1 2 255.365 3.261 20 30 CGEDLO CCCCCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944281 638606792 /nfs/dbraw/zinc/60/67/92/638606792.db2.gz KCMQSAKSDAQQRW-AWEZNQCLSA-N 1 2 277.412 3.065 20 30 CGEDLO C#CCCOc1ccc(C[NH2+]CC(F)(F)CC)cc1 ZINC000858259556 638667006 /nfs/dbraw/zinc/66/70/06/638667006.db2.gz VCNREOMZNQCMHT-UHFFFAOYSA-N 1 2 267.319 3.224 20 30 CGEDLO CC[C@H](C#N)Oc1cccc(CNc2[nH+]cccc2OC)c1 ZINC000858411248 638707758 /nfs/dbraw/zinc/70/77/58/638707758.db2.gz LZGDRIRTEPPCQO-CQSZACIVSA-N 1 2 297.358 3.383 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)c1cccc(C#N)c1O ZINC000926329631 638763419 /nfs/dbraw/zinc/76/34/19/638763419.db2.gz FZQBXQIISZZVIG-CZUORRHYSA-N 1 2 289.423 3.035 20 30 CGEDLO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926634578 638792873 /nfs/dbraw/zinc/79/28/73/638792873.db2.gz JUFCVJYVDYQNNO-NOLJZWGESA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926706334 638801399 /nfs/dbraw/zinc/80/13/99/638801399.db2.gz TTXRQPYKACHBKX-TZMCWYRMSA-N 1 2 280.318 3.350 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H](C)C#N ZINC000929429534 638924840 /nfs/dbraw/zinc/92/48/40/638924840.db2.gz MQSSJXSKEQLSIF-LLVKDONJSA-N 1 2 261.756 3.193 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H](C)C#N ZINC000929429534 638924841 /nfs/dbraw/zinc/92/48/41/638924841.db2.gz MQSSJXSKEQLSIF-LLVKDONJSA-N 1 2 261.756 3.193 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000932150995 639277201 /nfs/dbraw/zinc/27/72/01/639277201.db2.gz AGHLCGDEWYLKKE-GFCCVEGCSA-N 1 2 250.292 3.360 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000932150995 639277206 /nfs/dbraw/zinc/27/72/06/639277206.db2.gz AGHLCGDEWYLKKE-GFCCVEGCSA-N 1 2 250.292 3.360 20 30 CGEDLO CO[C@@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154775 639277591 /nfs/dbraw/zinc/27/75/91/639277591.db2.gz MWHURVWTBPXZSG-DOMZBBRYSA-N 1 2 278.783 3.263 20 30 CGEDLO CO[C@@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154775 639277594 /nfs/dbraw/zinc/27/75/94/639277594.db2.gz MWHURVWTBPXZSG-DOMZBBRYSA-N 1 2 278.783 3.263 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2c1 ZINC000932155040 639278302 /nfs/dbraw/zinc/27/83/02/639278302.db2.gz VVBRMHCWVGNPHJ-AWEZNQCLSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C#N)C3)cc2c1 ZINC000932155040 639278307 /nfs/dbraw/zinc/27/83/07/639278307.db2.gz VVBRMHCWVGNPHJ-AWEZNQCLSA-N 1 2 265.360 3.279 20 30 CGEDLO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC000932257507 639302232 /nfs/dbraw/zinc/30/22/32/639302232.db2.gz AKNTUPYTJLGGQJ-GFCCVEGCSA-N 1 2 296.212 3.342 20 30 CGEDLO C=C(C)CC[N@H+]1CCC[C@@H]1c1ncc(Br)cn1 ZINC000932257507 639302235 /nfs/dbraw/zinc/30/22/35/639302235.db2.gz AKNTUPYTJLGGQJ-GFCCVEGCSA-N 1 2 296.212 3.342 20 30 CGEDLO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933771484 639489192 /nfs/dbraw/zinc/48/91/92/639489192.db2.gz XSXZMQCDNGNYKK-UHFFFAOYSA-N 1 2 288.420 3.338 20 30 CGEDLO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771484 639489196 /nfs/dbraw/zinc/48/91/96/639489196.db2.gz XSXZMQCDNGNYKK-UHFFFAOYSA-N 1 2 288.420 3.338 20 30 CGEDLO CC(C)C(=O)NCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000157166526 639988178 /nfs/dbraw/zinc/98/81/78/639988178.db2.gz QUFUOKOHZPZBGV-XDHOZWIPSA-N 1 2 298.386 3.127 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247007005 640705649 /nfs/dbraw/zinc/70/56/49/640705649.db2.gz RJPUZXJCROWAKC-NEPJUHHUSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000247007005 640705654 /nfs/dbraw/zinc/70/56/54/640705654.db2.gz RJPUZXJCROWAKC-NEPJUHHUSA-N 1 2 292.452 3.165 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C23CCC(CC2)CC3)C1 ZINC000957407883 640801149 /nfs/dbraw/zinc/80/11/49/640801149.db2.gz GWTHQPYLXXHSIF-UHFFFAOYSA-N 1 2 290.451 3.066 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)OCCC ZINC000303923600 640849926 /nfs/dbraw/zinc/84/99/26/640849926.db2.gz PDXDUASXMVJTJW-CQSZACIVSA-N 1 2 261.365 3.016 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OCCC ZINC000303923600 640849934 /nfs/dbraw/zinc/84/99/34/640849934.db2.gz PDXDUASXMVJTJW-CQSZACIVSA-N 1 2 261.365 3.016 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016357889 640995588 /nfs/dbraw/zinc/99/55/88/640995588.db2.gz VOHUOKLJJZHNJD-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016357889 640995589 /nfs/dbraw/zinc/99/55/89/640995589.db2.gz VOHUOKLJJZHNJD-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)nc(C(C)C)[nH+]1 ZINC001157055882 805772201 /nfs/dbraw/zinc/77/22/01/805772201.db2.gz YVNFOQKMHAHCDD-JOCQHMNTSA-N 1 2 258.369 3.403 20 30 CGEDLO CCCCCCCCCN(C)c1cc(N)nc[nH+]1 ZINC001251646655 805916609 /nfs/dbraw/zinc/91/66/09/805916609.db2.gz YUXGUFQDJFELCU-UHFFFAOYSA-N 1 2 250.390 3.246 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2CCCC(F)(F)C2)c1 ZINC001158336201 805941197 /nfs/dbraw/zinc/94/11/97/805941197.db2.gz RFHLTGWNCZXBFA-LLVKDONJSA-N 1 2 251.280 3.137 20 30 CGEDLO CC(C)c1ccc(N2CC(Oc3ccccc3C#N)C2)[nH+]c1 ZINC001158772694 806000901 /nfs/dbraw/zinc/00/09/01/806000901.db2.gz FSUORJTWVDKMLU-UHFFFAOYSA-N 1 2 293.370 3.344 20 30 CGEDLO CCC[C@@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252789018 806115778 /nfs/dbraw/zinc/11/57/78/806115778.db2.gz MIAPUUNWGJTTTB-OAHLLOKOSA-N 1 2 280.799 3.217 20 30 CGEDLO CCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252789018 806115783 /nfs/dbraw/zinc/11/57/83/806115783.db2.gz MIAPUUNWGJTTTB-OAHLLOKOSA-N 1 2 280.799 3.217 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC001253227454 806184773 /nfs/dbraw/zinc/18/47/73/806184773.db2.gz JEDVELCOGFDDPN-MRXNPFEDSA-N 1 2 274.408 3.285 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2cccnc2C1 ZINC001253227454 806184778 /nfs/dbraw/zinc/18/47/78/806184778.db2.gz JEDVELCOGFDDPN-MRXNPFEDSA-N 1 2 274.408 3.285 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359587 806383416 /nfs/dbraw/zinc/38/34/16/806383416.db2.gz KFOHTLWUHQPUPY-NVPAJSRCSA-N 1 2 285.366 3.374 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359587 806383427 /nfs/dbraw/zinc/38/34/27/806383427.db2.gz KFOHTLWUHQPUPY-NVPAJSRCSA-N 1 2 285.366 3.374 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H](c2ccnc(F)c2)C2CC2)c1 ZINC001161845717 806470993 /nfs/dbraw/zinc/47/09/93/806470993.db2.gz LVCQEEXDNLNGFA-MRXNPFEDSA-N 1 2 282.322 3.245 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(OC)cccc1C(F)(F)F ZINC001255156656 806556567 /nfs/dbraw/zinc/55/65/67/806556567.db2.gz QOJUMCDQSIBRIJ-JTQLQIEISA-N 1 2 286.297 3.496 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC001255156321 806556876 /nfs/dbraw/zinc/55/68/76/806556876.db2.gz ZUHOSJXOSPVZFJ-KBPBESRZSA-N 1 2 294.782 3.226 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001255162383 806562034 /nfs/dbraw/zinc/56/20/34/806562034.db2.gz OPZDTIKIRBALQN-OCCSQVGLSA-N 1 2 263.772 3.468 20 30 CGEDLO Cc1ccc(CC/[NH+]=C/c2ccc(O)c(O)c2O)c(C)c1 ZINC000123191536 798993842 /nfs/dbraw/zinc/99/38/42/798993842.db2.gz XUXMTENSSZMFAS-VCHYOVAHSA-N 1 2 285.343 3.082 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000157795084 799069816 /nfs/dbraw/zinc/06/98/16/799069816.db2.gz WRMZQTIPBXQWNG-UHFFFAOYSA-N 1 2 290.370 3.371 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000157795084 799069823 /nfs/dbraw/zinc/06/98/23/799069823.db2.gz WRMZQTIPBXQWNG-UHFFFAOYSA-N 1 2 290.370 3.371 20 30 CGEDLO Cc1ccc(C#N)c(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000160846286 799077490 /nfs/dbraw/zinc/07/74/90/799077490.db2.gz HNGYQSAYPPZFLE-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C#CCN(Cc1ccccc1)c1cc(CC)[nH+]c(CC)n1 ZINC001163260680 806733083 /nfs/dbraw/zinc/73/30/83/806733083.db2.gz RASKOHYEJJLJBS-UHFFFAOYSA-N 1 2 279.387 3.241 20 30 CGEDLO CCOCC(C)(C)C/[NH+]=C\c1cc(OCC)ccc1O ZINC000809144768 800412682 /nfs/dbraw/zinc/41/26/82/800412682.db2.gz QWULQTOCDLUWAP-YVLHZVERSA-N 1 2 279.380 3.273 20 30 CGEDLO C=CC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932252202 800655537 /nfs/dbraw/zinc/65/55/37/800655537.db2.gz ZKAGBHVDRVEOMM-GFCCVEGCSA-N 1 2 267.170 3.167 20 30 CGEDLO C=CC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932252202 800655539 /nfs/dbraw/zinc/65/55/39/800655539.db2.gz ZKAGBHVDRVEOMM-GFCCVEGCSA-N 1 2 267.170 3.167 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146966 800834258 /nfs/dbraw/zinc/83/42/58/800834258.db2.gz NMBPJHYCLMFPGE-QLFBSQMISA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146966 800834264 /nfs/dbraw/zinc/83/42/64/800834264.db2.gz NMBPJHYCLMFPGE-QLFBSQMISA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033676035 800973391 /nfs/dbraw/zinc/97/33/91/800973391.db2.gz SXPZGELBMXBPCF-OAHLLOKOSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033676035 800973395 /nfs/dbraw/zinc/97/33/95/800973395.db2.gz SXPZGELBMXBPCF-OAHLLOKOSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCC1)C2 ZINC001097595038 801901589 /nfs/dbraw/zinc/90/15/89/801901589.db2.gz WWXFSJHOAGLNDT-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCC1)C2 ZINC001097595038 801901590 /nfs/dbraw/zinc/90/15/90/801901590.db2.gz WWXFSJHOAGLNDT-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(CC)CC)C2 ZINC001111190020 802156919 /nfs/dbraw/zinc/15/69/19/802156919.db2.gz MHZYCZBOPCKXNR-KFWWJZLASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(CC)CC)C2 ZINC001111190020 802156921 /nfs/dbraw/zinc/15/69/21/802156921.db2.gz MHZYCZBOPCKXNR-KFWWJZLASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nn(C)cc1C)c1ccc(F)c(F)c1 ZINC001119742304 802696360 /nfs/dbraw/zinc/69/63/60/802696360.db2.gz IBLUYPUZMCOZNK-INIZCTEOSA-N 1 2 291.345 3.414 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132069266 803370931 /nfs/dbraw/zinc/37/09/31/803370931.db2.gz RLEMBDIPNPSNGJ-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132069266 803370936 /nfs/dbraw/zinc/37/09/36/803370936.db2.gz RLEMBDIPNPSNGJ-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132225496 803382094 /nfs/dbraw/zinc/38/20/94/803382094.db2.gz XWPSHKAZZUOIJR-HUUCEWRRSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132225496 803382099 /nfs/dbraw/zinc/38/20/99/803382099.db2.gz XWPSHKAZZUOIJR-HUUCEWRRSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132228276 803383923 /nfs/dbraw/zinc/38/39/23/803383923.db2.gz OJBVTNCDECQDKC-OQULSUTQSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132228276 803383928 /nfs/dbraw/zinc/38/39/28/803383928.db2.gz OJBVTNCDECQDKC-OQULSUTQSA-N 1 2 296.842 3.230 20 30 CGEDLO N#CCCc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001133973297 803513165 /nfs/dbraw/zinc/51/31/65/803513165.db2.gz NDAYIEBQEGCASI-UHFFFAOYSA-N 1 2 290.326 3.043 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001138612655 803980560 /nfs/dbraw/zinc/98/05/60/803980560.db2.gz WIVUDOFHSUCXFM-UHFFFAOYSA-N 1 2 257.381 3.022 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001138612655 803980566 /nfs/dbraw/zinc/98/05/66/803980566.db2.gz WIVUDOFHSUCXFM-UHFFFAOYSA-N 1 2 257.381 3.022 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001139691596 804256989 /nfs/dbraw/zinc/25/69/89/804256989.db2.gz AIUYGDYOXBIELW-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139691596 804256997 /nfs/dbraw/zinc/25/69/97/804256997.db2.gz AIUYGDYOXBIELW-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706211 804261340 /nfs/dbraw/zinc/26/13/40/804261340.db2.gz OPWNIHNUMSUBKR-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706211 804261348 /nfs/dbraw/zinc/26/13/48/804261348.db2.gz OPWNIHNUMSUBKR-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001139823547 804291738 /nfs/dbraw/zinc/29/17/38/804291738.db2.gz QQABCPZVGMEUMG-ZDUSSCGKSA-N 1 2 283.400 3.464 20 30 CGEDLO Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001139823547 804291745 /nfs/dbraw/zinc/29/17/45/804291745.db2.gz QQABCPZVGMEUMG-ZDUSSCGKSA-N 1 2 283.400 3.464 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](F)C2)c(F)c1 ZINC001140136233 804385400 /nfs/dbraw/zinc/38/54/00/804385400.db2.gz PSIQHJPYYNHTIY-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(F)c1 ZINC001140136233 804385409 /nfs/dbraw/zinc/38/54/09/804385409.db2.gz PSIQHJPYYNHTIY-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1F ZINC001140753702 804506695 /nfs/dbraw/zinc/50/66/95/804506695.db2.gz KSIJOWUVFKEIFD-VIFPVBQESA-N 1 2 290.235 3.221 20 30 CGEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1F ZINC001140753702 804506701 /nfs/dbraw/zinc/50/67/01/804506701.db2.gz KSIJOWUVFKEIFD-VIFPVBQESA-N 1 2 290.235 3.221 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001140827588 804530541 /nfs/dbraw/zinc/53/05/41/804530541.db2.gz DQYVFQHTCMPGFW-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001140827588 804530544 /nfs/dbraw/zinc/53/05/44/804530544.db2.gz DQYVFQHTCMPGFW-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC001141373070 804636165 /nfs/dbraw/zinc/63/61/65/804636165.db2.gz LTLBUWJCGYEHQG-UHFFFAOYSA-N 1 2 290.588 3.426 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC001141373070 804636168 /nfs/dbraw/zinc/63/61/68/804636168.db2.gz LTLBUWJCGYEHQG-UHFFFAOYSA-N 1 2 290.588 3.426 20 30 CGEDLO Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001141988460 804686759 /nfs/dbraw/zinc/68/67/59/804686759.db2.gz WNMKZXWVWJPWJZ-AWEZNQCLSA-N 1 2 281.359 3.386 20 30 CGEDLO Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001141988460 804686760 /nfs/dbraw/zinc/68/67/60/804686760.db2.gz WNMKZXWVWJPWJZ-AWEZNQCLSA-N 1 2 281.359 3.386 20 30 CGEDLO C=CCCCNC(=S)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001247743770 804812617 /nfs/dbraw/zinc/81/26/17/804812617.db2.gz SXBFHQANICZJCT-UHFFFAOYSA-N 1 2 286.404 3.125 20 30 CGEDLO COc1c(F)cc(F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001143563321 804864997 /nfs/dbraw/zinc/86/49/97/804864997.db2.gz VJKSZOQNZBRTKP-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)cc(F)c1F ZINC001143592906 804874242 /nfs/dbraw/zinc/87/42/42/804874242.db2.gz XPORCYYFXVSIKI-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO C=CCSCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248115866 804881390 /nfs/dbraw/zinc/88/13/90/804881390.db2.gz LXERGTUMPVKQME-UHFFFAOYSA-N 1 2 298.371 3.342 20 30 CGEDLO CCO[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724667 804887261 /nfs/dbraw/zinc/88/72/61/804887261.db2.gz ZAFBMSQXDZTHQK-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724667 804887265 /nfs/dbraw/zinc/88/72/65/804887265.db2.gz ZAFBMSQXDZTHQK-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001143719321 804887655 /nfs/dbraw/zinc/88/76/55/804887655.db2.gz VVVQXSQFCNQYGB-WBMJQRKESA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001143719321 804887659 /nfs/dbraw/zinc/88/76/59/804887659.db2.gz VVVQXSQFCNQYGB-WBMJQRKESA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001143723473 804888333 /nfs/dbraw/zinc/88/83/33/804888333.db2.gz QAZLLEBDWGCVII-COPLHBTASA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001143723473 804888340 /nfs/dbraw/zinc/88/83/40/804888340.db2.gz QAZLLEBDWGCVII-COPLHBTASA-N 1 2 264.731 3.144 20 30 CGEDLO C[C@@]1(F)CC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@H]1F ZINC001249427104 805146416 /nfs/dbraw/zinc/14/64/16/805146416.db2.gz QJPPWXLZNWHYNL-HZPDHXFCSA-N 1 2 289.329 3.312 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@H]1F ZINC001249427104 805146418 /nfs/dbraw/zinc/14/64/18/805146418.db2.gz QJPPWXLZNWHYNL-HZPDHXFCSA-N 1 2 289.329 3.312 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(C)ccc2C#N)c[nH+]1 ZINC001249899986 805288846 /nfs/dbraw/zinc/28/88/46/805288846.db2.gz ZZRKDGOYFNOQGQ-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCC ZINC001257307836 807098547 /nfs/dbraw/zinc/09/85/47/807098547.db2.gz VTIWOMRAWPZBTN-HOCLYGCPSA-N 1 2 275.392 3.105 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCCSC1 ZINC001257664537 807207493 /nfs/dbraw/zinc/20/74/93/807207493.db2.gz QATBZIMKDQDIBT-AWEZNQCLSA-N 1 2 287.469 3.375 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cccc(C)c1Br ZINC001167575769 807208255 /nfs/dbraw/zinc/20/82/55/807208255.db2.gz HUFVGSYJZNQNIB-UHFFFAOYSA-N 1 2 266.182 3.213 20 30 CGEDLO C#CC[N@H+](CC)Cc1cccc(C)c1Br ZINC001167575769 807208262 /nfs/dbraw/zinc/20/82/62/807208262.db2.gz HUFVGSYJZNQNIB-UHFFFAOYSA-N 1 2 266.182 3.213 20 30 CGEDLO Cc1nc2cc(CNc3[nH+]cccc3CC#N)ccc2o1 ZINC001167756761 807245507 /nfs/dbraw/zinc/24/55/07/807245507.db2.gz MYFRDGFUMBJHRB-UHFFFAOYSA-N 1 2 278.315 3.209 20 30 CGEDLO Cc1cnc(C#N)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212693992 815105160 /nfs/dbraw/zinc/10/51/60/815105160.db2.gz DITLSHJBLSKWNN-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO N#Cc1cc(N)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697979 815106207 /nfs/dbraw/zinc/10/62/07/815106207.db2.gz FGBNYRKHOXXXEH-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO COc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@H]2C#N)cc1 ZINC001258407633 807443148 /nfs/dbraw/zinc/44/31/48/807443148.db2.gz GIFXLNJKFUCFLT-ZBFHGGJFSA-N 1 2 272.392 3.394 20 30 CGEDLO COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@H]2C#N)cc1 ZINC001258407633 807443152 /nfs/dbraw/zinc/44/31/52/807443152.db2.gz GIFXLNJKFUCFLT-ZBFHGGJFSA-N 1 2 272.392 3.394 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+]1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001258733610 807579721 /nfs/dbraw/zinc/57/97/21/807579721.db2.gz JWNJERSLTHOHQN-DOMZBBRYSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCC[C@@H](C)[N@H+]1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001258733610 807579723 /nfs/dbraw/zinc/57/97/23/807579723.db2.gz JWNJERSLTHOHQN-DOMZBBRYSA-N 1 2 292.810 3.168 20 30 CGEDLO C#C[C@@](C)(CC)Nc1ccc(C)cc1C[NH+]1CCOCC1 ZINC001169700071 807691658 /nfs/dbraw/zinc/69/16/58/807691658.db2.gz GXFQYIWOQHFWJH-SFHVURJKSA-N 1 2 286.419 3.041 20 30 CGEDLO C=CCCCNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001170301823 807820989 /nfs/dbraw/zinc/82/09/89/807820989.db2.gz FMYDMTPPOGQITC-UHFFFAOYSA-N 1 2 269.348 3.434 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399120 807833571 /nfs/dbraw/zinc/83/35/71/807833571.db2.gz YRCXUUNZRZMXCJ-ODIFPOPNSA-N 1 2 267.376 3.234 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399120 807833578 /nfs/dbraw/zinc/83/35/78/807833578.db2.gz YRCXUUNZRZMXCJ-ODIFPOPNSA-N 1 2 267.376 3.234 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccc(C)cc1)C(=O)OC ZINC001171660882 808115908 /nfs/dbraw/zinc/11/59/08/808115908.db2.gz RMQPUCZXAJYGBA-ZBFHGGJFSA-N 1 2 275.392 3.023 20 30 CGEDLO CCCCCC[C@H](CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001172379758 808272906 /nfs/dbraw/zinc/27/29/06/808272906.db2.gz VXJFCJMOZNMSDS-STQMWFEESA-N 1 2 275.458 3.187 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1(C)CCCCC1)C1CC1 ZINC001266609728 808296254 /nfs/dbraw/zinc/29/62/54/808296254.db2.gz VVPTXEOOLNZKQX-UHFFFAOYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1(C)CCCCC1)C1CC1 ZINC001266609728 808296260 /nfs/dbraw/zinc/29/62/60/808296260.db2.gz VVPTXEOOLNZKQX-UHFFFAOYSA-N 1 2 298.858 3.290 20 30 CGEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172504403 808360625 /nfs/dbraw/zinc/36/06/25/808360625.db2.gz FGCJPAXTISLBGK-WBVHZDCISA-N 1 2 299.455 3.437 20 30 CGEDLO CCCCCCCC[C@H](CC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001172504128 808360934 /nfs/dbraw/zinc/36/09/34/808360934.db2.gz DBXXICSRISOUMS-AWEZNQCLSA-N 1 2 289.485 3.244 20 30 CGEDLO CC(C)(C)n1ncc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213027176 815202326 /nfs/dbraw/zinc/20/23/26/815202326.db2.gz MSYZWMHJRLJBJE-UHFFFAOYSA-N 1 2 280.335 3.130 20 30 CGEDLO N#Cc1cc(F)cc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213030766 815204742 /nfs/dbraw/zinc/20/47/42/815204742.db2.gz QCQGPNRDZOYKPY-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO COc1ccc(C#N)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213032683 815207143 /nfs/dbraw/zinc/20/71/43/815207143.db2.gz SLSNDIMFLKZCPL-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001267785455 808491953 /nfs/dbraw/zinc/49/19/53/808491953.db2.gz PHQCIZLCACLXFE-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001267785455 808491957 /nfs/dbraw/zinc/49/19/57/808491957.db2.gz PHQCIZLCACLXFE-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173200414 808535944 /nfs/dbraw/zinc/53/59/44/808535944.db2.gz QMVNVJREMYCTTE-CKDBGZEDSA-N 1 2 270.376 3.365 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1C1CCC(Oc2ccccc2)CC1 ZINC001173200414 808535948 /nfs/dbraw/zinc/53/59/48/808535948.db2.gz QMVNVJREMYCTTE-CKDBGZEDSA-N 1 2 270.376 3.365 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1ccc(C)c(C)c1 ZINC001268257604 808572306 /nfs/dbraw/zinc/57/23/06/808572306.db2.gz ZCSSRYULOGIICG-UHFFFAOYSA-N 1 2 294.826 3.060 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1ccc(C)c(C)c1 ZINC001268257604 808572310 /nfs/dbraw/zinc/57/23/10/808572310.db2.gz ZCSSRYULOGIICG-UHFFFAOYSA-N 1 2 294.826 3.060 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001268753223 808623736 /nfs/dbraw/zinc/62/37/36/808623736.db2.gz TWHXSUGCOIDWRU-MRVWCRGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001268753223 808623740 /nfs/dbraw/zinc/62/37/40/808623740.db2.gz TWHXSUGCOIDWRU-MRVWCRGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)C)cc2)cc[nH+]1 ZINC001174109131 808870474 /nfs/dbraw/zinc/87/04/74/808870474.db2.gz SVAATGFVXJPFHV-UHFFFAOYSA-N 1 2 252.317 3.016 20 30 CGEDLO Cc1cc(CNC(=O)c2ccc(Cl)c(C#N)c2)cc(C)[nH+]1 ZINC001276417777 809007383 /nfs/dbraw/zinc/00/73/83/809007383.db2.gz FNPUCGHWNHESBC-UHFFFAOYSA-N 1 2 299.761 3.154 20 30 CGEDLO C#Cc1cc(Nc2cc(C(F)(F)F)ccc2OC)cc[nH+]1 ZINC001174774973 809161287 /nfs/dbraw/zinc/16/12/87/809161287.db2.gz PMCYADWJHKMEKW-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001282412294 809247000 /nfs/dbraw/zinc/24/70/00/809247000.db2.gz MNWDESAGLKLAEW-OLZOCXBDSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001282412294 809247004 /nfs/dbraw/zinc/24/70/04/809247004.db2.gz MNWDESAGLKLAEW-OLZOCXBDSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001282824031 809265171 /nfs/dbraw/zinc/26/51/71/809265171.db2.gz RMYODOBIVKQQKR-GMMCIKNFSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001282824031 809265174 /nfs/dbraw/zinc/26/51/74/809265174.db2.gz RMYODOBIVKQQKR-GMMCIKNFSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001284132315 809298015 /nfs/dbraw/zinc/29/80/15/809298015.db2.gz PFZDYUPCVHUVKE-KBPBESRZSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001284132315 809298019 /nfs/dbraw/zinc/29/80/19/809298019.db2.gz PFZDYUPCVHUVKE-KBPBESRZSA-N 1 2 284.831 3.064 20 30 CGEDLO N#Cc1ccsc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346622 809370950 /nfs/dbraw/zinc/37/09/50/809370950.db2.gz ZVICQALMXJGIMH-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO Cc1cnc(C#N)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175705780 809514848 /nfs/dbraw/zinc/51/48/48/809514848.db2.gz GTOJSQYKIOATPL-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO N#Cc1sccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175705867 809515074 /nfs/dbraw/zinc/51/50/74/809515074.db2.gz IVKUZSYRINFPRK-UHFFFAOYSA-N 1 2 284.266 3.359 20 30 CGEDLO Cc1ncc(C#N)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175711214 809515868 /nfs/dbraw/zinc/51/58/68/809515868.db2.gz SDSCCXHKCAAUDO-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO Cc1cnc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(C#N)c1 ZINC001175710458 809516237 /nfs/dbraw/zinc/51/62/37/809516237.db2.gz BPWJEVJGOZFSFD-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(C#N)ccc1Cl ZINC001176122575 809629034 /nfs/dbraw/zinc/62/90/34/809629034.db2.gz BVIOGAGEKYGNPU-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176832750 809764535 /nfs/dbraw/zinc/76/45/35/809764535.db2.gz HJAUKTRKUBGNBV-GFCCVEGCSA-N 1 2 278.739 3.236 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176832750 809764538 /nfs/dbraw/zinc/76/45/38/809764538.db2.gz HJAUKTRKUBGNBV-GFCCVEGCSA-N 1 2 278.739 3.236 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(O)c1 ZINC001184964197 810225377 /nfs/dbraw/zinc/22/53/77/810225377.db2.gz IOVVQNOXGYRVMR-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO Cc1c[nH+]c(Nc2c(Br)cccc2C#N)[nH]1 ZINC001185737212 810289949 /nfs/dbraw/zinc/28/99/49/810289949.db2.gz VTWKQIBGTVDMQV-UHFFFAOYSA-N 1 2 277.125 3.096 20 30 CGEDLO C=C(C)CN(CC)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194895451 811166346 /nfs/dbraw/zinc/16/63/46/811166346.db2.gz UFUIJBGHZMDSKX-UHFFFAOYSA-N 1 2 283.375 3.125 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001195950134 811304913 /nfs/dbraw/zinc/30/49/13/811304913.db2.gz IKPPLAOZTYNGHN-UHFFFAOYSA-N 1 2 296.842 3.042 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC(=C)Cl)CC1 ZINC001195950134 811304925 /nfs/dbraw/zinc/30/49/25/811304925.db2.gz IKPPLAOZTYNGHN-UHFFFAOYSA-N 1 2 296.842 3.042 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c2ccccc12 ZINC001201283825 811807248 /nfs/dbraw/zinc/80/72/48/811807248.db2.gz GTRVJEFCRIMHHP-UHFFFAOYSA-N 1 2 260.300 3.432 20 30 CGEDLO C#Cc1cc(Nc2csc3ccccc23)cc[nH+]1 ZINC001201844603 811971188 /nfs/dbraw/zinc/97/11/88/811971188.db2.gz CQUOJYVOSBBAKI-UHFFFAOYSA-N 1 2 250.326 3.443 20 30 CGEDLO CNc1ccc(Nc2ccc(C#N)cc2Cl)c[nH+]1 ZINC001203454996 812365296 /nfs/dbraw/zinc/36/52/96/812365296.db2.gz PDVDWIQNFQAPAY-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(C#N)cc2C)c[nH+]1 ZINC001203459345 812368481 /nfs/dbraw/zinc/36/84/81/812368481.db2.gz LDBZGLIPBPJDGZ-UHFFFAOYSA-N 1 2 256.284 3.186 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001203764283 812457419 /nfs/dbraw/zinc/45/74/19/812457419.db2.gz JMBIBPNJWCBNRX-UHFFFAOYSA-N 1 2 290.366 3.319 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001203764283 812457423 /nfs/dbraw/zinc/45/74/23/812457423.db2.gz JMBIBPNJWCBNRX-UHFFFAOYSA-N 1 2 290.366 3.319 20 30 CGEDLO C#Cc1cc(Nc2cc(OCCC)ccc2C)cc[nH+]1 ZINC001215586637 815542525 /nfs/dbraw/zinc/54/25/25/815542525.db2.gz GBULBZYUXJZXPN-UHFFFAOYSA-N 1 2 266.344 3.326 20 30 CGEDLO Cc1cc(C)cc(C[NH+]2CC(Oc3ccccc3C#N)C2)c1 ZINC001204527621 812667809 /nfs/dbraw/zinc/66/78/09/812667809.db2.gz YGABEOPDIXNJTE-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204530103 812668059 /nfs/dbraw/zinc/66/80/59/812668059.db2.gz ZURHZPYZCKBCCS-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204530103 812668063 /nfs/dbraw/zinc/66/80/63/812668063.db2.gz ZURHZPYZCKBCCS-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#Cc1cccc(Nc2ccn3cc[nH+]c3c2)c1F ZINC001204977744 812806408 /nfs/dbraw/zinc/80/64/08/812806408.db2.gz KDCWEGZUTVRQLI-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC3(C2)CC(F)(F)CO3)CC1 ZINC001208176190 813727316 /nfs/dbraw/zinc/72/73/16/813727316.db2.gz ADUNGFPZZUDRSY-CQSZACIVSA-N 1 2 283.362 3.399 20 30 CGEDLO Cc1[nH+]cc(Nc2c(Cl)cccc2C#N)cc1N ZINC001210290404 814387399 /nfs/dbraw/zinc/38/73/99/814387399.db2.gz LJMFWBUYXKTZDR-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO N#Cc1cc(Nc2cc(OC(F)(F)F)cc[nH+]2)ccc1O ZINC001210529750 814511457 /nfs/dbraw/zinc/51/14/57/814511457.db2.gz QKNOMMRYHQYLFZ-UHFFFAOYSA-N 1 2 295.220 3.301 20 30 CGEDLO CC#Cc1cncc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001211056528 814725253 /nfs/dbraw/zinc/72/52/53/814725253.db2.gz QXNOPOXHDKMFFT-UHFFFAOYSA-N 1 2 278.359 3.192 20 30 CGEDLO C#Cc1cc(Nc2cc(C)ccc2OC(C)C)cc[nH+]1 ZINC001211279531 814869257 /nfs/dbraw/zinc/86/92/57/814869257.db2.gz BAOBBFJPVHCKPR-UHFFFAOYSA-N 1 2 266.344 3.324 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001221825839 816328915 /nfs/dbraw/zinc/32/89/15/816328915.db2.gz QZOMUDFCZZMDOT-HUUCEWRRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001221825839 816328920 /nfs/dbraw/zinc/32/89/20/816328920.db2.gz QZOMUDFCZZMDOT-HUUCEWRRSA-N 1 2 298.858 3.098 20 30 CGEDLO COc1cc2c(cc1OC1CCC(C#N)CC1)C=[NH+]CC2 ZINC001228090523 817809318 /nfs/dbraw/zinc/80/93/18/817809318.db2.gz LXWGWXPZBWMQQE-UHFFFAOYSA-N 1 2 284.359 3.131 20 30 CGEDLO N#Cc1ccnc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC001232481331 818366461 /nfs/dbraw/zinc/36/64/61/818366461.db2.gz ZWAXOLMEUXNJMY-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1ccnc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC001232481331 818366471 /nfs/dbraw/zinc/36/64/71/818366471.db2.gz ZWAXOLMEUXNJMY-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C)c1Br ZINC001232519048 818377782 /nfs/dbraw/zinc/37/77/82/818377782.db2.gz NKZFCFWFTZNDFP-UHFFFAOYSA-N 1 2 293.208 3.411 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc2ccoc2cn1 ZINC001232551849 818382887 /nfs/dbraw/zinc/38/28/87/818382887.db2.gz SOFSFJLLWAPQEL-UHFFFAOYSA-N 1 2 257.337 3.344 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc2ccoc2cn1 ZINC001232551849 818382892 /nfs/dbraw/zinc/38/28/92/818382892.db2.gz SOFSFJLLWAPQEL-UHFFFAOYSA-N 1 2 257.337 3.344 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC001232678228 818416416 /nfs/dbraw/zinc/41/64/16/818416416.db2.gz RBUWLDGMXMTTGZ-UHFFFAOYSA-N 1 2 256.349 3.030 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001232678228 818416423 /nfs/dbraw/zinc/41/64/23/818416423.db2.gz RBUWLDGMXMTTGZ-UHFFFAOYSA-N 1 2 256.349 3.030 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2Cl)C1 ZINC001232877182 818460542 /nfs/dbraw/zinc/46/05/42/818460542.db2.gz DINGANXWSUNGEG-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2Cl)C1 ZINC001232877182 818460545 /nfs/dbraw/zinc/46/05/45/818460545.db2.gz DINGANXWSUNGEG-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO Cc1ncc(F)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001232989917 818494172 /nfs/dbraw/zinc/49/41/72/818494172.db2.gz ZIBLOEFDIKBPMJ-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO Cc1ncc(F)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001232989917 818494175 /nfs/dbraw/zinc/49/41/75/818494175.db2.gz ZIBLOEFDIKBPMJ-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)Cc2ccccc21 ZINC001233046609 818508157 /nfs/dbraw/zinc/50/81/57/818508157.db2.gz ZVJHIHPOJDZPKU-GFCCVEGCSA-N 1 2 251.333 3.006 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)Cc2ccccc21 ZINC001233046609 818508164 /nfs/dbraw/zinc/50/81/64/818508164.db2.gz ZVJHIHPOJDZPKU-GFCCVEGCSA-N 1 2 251.333 3.006 20 30 CGEDLO Cc1ccccc1OC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233046527 818509161 /nfs/dbraw/zinc/50/91/61/818509161.db2.gz YCLDZCHOMYNOTE-UHFFFAOYSA-N 1 2 295.386 3.238 20 30 CGEDLO COc1ccc([C@H](C)[N@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233047852 818510564 /nfs/dbraw/zinc/51/05/64/818510564.db2.gz NMMQTYSDBAURMF-LBPRGKRZSA-N 1 2 269.348 3.088 20 30 CGEDLO COc1ccc([C@H](C)[N@@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233047852 818510570 /nfs/dbraw/zinc/51/05/70/818510570.db2.gz NMMQTYSDBAURMF-LBPRGKRZSA-N 1 2 269.348 3.088 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1[nH]nc2cc(F)ccc21 ZINC001233124813 818524985 /nfs/dbraw/zinc/52/49/85/818524985.db2.gz PCUZSRPPCUIIRJ-UHFFFAOYSA-N 1 2 274.343 3.218 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1[nH]nc2cc(F)ccc21 ZINC001233124813 818524989 /nfs/dbraw/zinc/52/49/89/818524989.db2.gz PCUZSRPPCUIIRJ-UHFFFAOYSA-N 1 2 274.343 3.218 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3cccnc3s2)C1 ZINC001233348417 818591618 /nfs/dbraw/zinc/59/16/18/818591618.db2.gz ANRUHWSZVVXFAI-NSHDSACASA-N 1 2 257.362 3.032 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348417 818591626 /nfs/dbraw/zinc/59/16/26/818591626.db2.gz ANRUHWSZVVXFAI-NSHDSACASA-N 1 2 257.362 3.032 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001235533083 819117441 /nfs/dbraw/zinc/11/74/41/819117441.db2.gz RAUIUXYEHJFARR-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001235533083 819117446 /nfs/dbraw/zinc/11/74/46/819117446.db2.gz RAUIUXYEHJFARR-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO N#Cc1cc(F)c(C[NH+]2CC3(C2)CCCC3)c(F)c1 ZINC001235650944 819130914 /nfs/dbraw/zinc/13/09/14/819130914.db2.gz IBDBYBZROFZKOV-UHFFFAOYSA-N 1 2 262.303 3.212 20 30 CGEDLO N#CC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237077753 819660663 /nfs/dbraw/zinc/66/06/63/819660663.db2.gz KEKXIJZPNGOIOJ-UHFFFAOYSA-N 1 2 285.174 3.435 20 30 CGEDLO N#Cc1cc(C[NH+]2CCC(C(F)F)CC2)c(F)cc1F ZINC001237534598 819773723 /nfs/dbraw/zinc/77/37/23/819773723.db2.gz PUQNSAKRBIYIFY-UHFFFAOYSA-N 1 2 286.272 3.314 20 30 CGEDLO C=CC[NH+](CC=C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237882476 819868108 /nfs/dbraw/zinc/86/81/08/819868108.db2.gz PDHNKBZNCUQHLV-UHFFFAOYSA-N 1 2 271.364 3.192 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1ccc(OC)nc1Br ZINC001238182328 819949180 /nfs/dbraw/zinc/94/91/80/819949180.db2.gz DGVFBLVSNOOIRM-UHFFFAOYSA-N 1 2 299.212 3.251 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1ccc(OC)nc1Br ZINC001238182328 819949185 /nfs/dbraw/zinc/94/91/85/819949185.db2.gz DGVFBLVSNOOIRM-UHFFFAOYSA-N 1 2 299.212 3.251 20 30 CGEDLO CCOc1ccc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001238708281 820094032 /nfs/dbraw/zinc/09/40/32/820094032.db2.gz MWKNTDPHTAIHOS-CQSZACIVSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(C)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001238708281 820094039 /nfs/dbraw/zinc/09/40/39/820094039.db2.gz MWKNTDPHTAIHOS-CQSZACIVSA-N 1 2 258.365 3.129 20 30 CGEDLO N#Cc1cc(C(F)(F)F)ccc1-c1cc(N)cc[nH+]1 ZINC001238835021 820130430 /nfs/dbraw/zinc/13/04/30/820130430.db2.gz AWKSPVHYGDCLJF-UHFFFAOYSA-N 1 2 263.222 3.221 20 30 CGEDLO O/N=C/c1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243659475 823477345 /nfs/dbraw/zinc/47/73/45/823477345.db2.gz VLQBQZJVKXDOLP-YBFXNURJSA-N 1 2 277.327 3.407 20 30 CGEDLO Cc1nc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC001243657868 823476158 /nfs/dbraw/zinc/47/61/58/823476158.db2.gz TUDDYQFTVAFXPW-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO Cc1c(C#N)ccnc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656139 823476406 /nfs/dbraw/zinc/47/64/06/823476406.db2.gz IXQMYKJUDYJLNG-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1c(F)cc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001239922215 820700978 /nfs/dbraw/zinc/70/09/78/820700978.db2.gz VEYTUKZYLPLMOR-UHFFFAOYSA-N 1 2 255.227 3.151 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239930509 820709777 /nfs/dbraw/zinc/70/97/77/820709777.db2.gz GKCAPQQBGRLZGS-UHFFFAOYSA-N 1 2 285.253 3.160 20 30 CGEDLO N#Cc1ccc2ccnc(-c3ccc4[nH+]ccn4c3)c2c1 ZINC001240213493 820881522 /nfs/dbraw/zinc/88/15/22/820881522.db2.gz BAWQCLJKXWYHAD-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1cc(F)ccc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001242580431 823042098 /nfs/dbraw/zinc/04/20/98/823042098.db2.gz DRHAFZVRVUHCFV-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO C=C[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001346387476 936847213 /nfs/dbraw/zinc/84/72/13/936847213.db2.gz GSWNOACGTNLZTO-INIZCTEOSA-N 1 2 295.386 3.086 20 30 CGEDLO C#CC[N@@H+](Cc1ccnc(Cl)c1Cl)CC1CC1 ZINC001347371009 936881458 /nfs/dbraw/zinc/88/14/58/936881458.db2.gz AOPNMCXZUXGZHJ-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C#CC[N@H+](Cc1ccnc(Cl)c1Cl)CC1CC1 ZINC001347371009 936881460 /nfs/dbraw/zinc/88/14/60/936881460.db2.gz AOPNMCXZUXGZHJ-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001481192512 926905376 /nfs/dbraw/zinc/90/53/76/926905376.db2.gz WEYRUGAYGPZJIF-HOCLYGCPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001481192512 926905383 /nfs/dbraw/zinc/90/53/83/926905383.db2.gz WEYRUGAYGPZJIF-HOCLYGCPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001485368761 927856429 /nfs/dbraw/zinc/85/64/29/927856429.db2.gz BVKSHBLOBMARNI-OLZOCXBDSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001485368761 927856439 /nfs/dbraw/zinc/85/64/39/927856439.db2.gz BVKSHBLOBMARNI-OLZOCXBDSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001462507602 928793735 /nfs/dbraw/zinc/79/37/35/928793735.db2.gz UVGHLIZFPOYDPW-XJFOESAGSA-N 1 2 285.815 3.229 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001491225311 928847674 /nfs/dbraw/zinc/84/76/74/928847674.db2.gz XNYHFWVOAVOOPU-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001491225311 928847683 /nfs/dbraw/zinc/84/76/83/928847683.db2.gz XNYHFWVOAVOOPU-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001460751690 937543712 /nfs/dbraw/zinc/54/37/12/937543712.db2.gz ULRJBFUMJISULH-GFCCVEGCSA-N 1 2 298.308 3.320 20 30 CGEDLO N#C[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001460751690 937543714 /nfs/dbraw/zinc/54/37/14/937543714.db2.gz ULRJBFUMJISULH-GFCCVEGCSA-N 1 2 298.308 3.320 20 30 CGEDLO COc1ccc(NCc2cc(C)[nH+]c(C)c2)cc1C#N ZINC001461700399 937592801 /nfs/dbraw/zinc/59/28/01/937592801.db2.gz UKDWFFMLIHNPOK-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1C#N ZINC001461749911 937595022 /nfs/dbraw/zinc/59/50/22/937595022.db2.gz NBCUVHZJWAZQJR-UHFFFAOYSA-N 1 2 277.780 3.266 20 30 CGEDLO C=CCC[C@@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921735 932642837 /nfs/dbraw/zinc/64/28/37/932642837.db2.gz QURUWJKUBOENLV-CQSZACIVSA-N 1 2 259.349 3.491 20 30 CGEDLO N#C[C@@H]1CC[C@@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001231083771 932675523 /nfs/dbraw/zinc/67/55/23/932675523.db2.gz ORJFPYKFJJODGS-BXUZGUMPSA-N 1 2 253.305 3.148 20 30 CGEDLO C=C1O[C@@H](CC)C(=O)C1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084197 932675684 /nfs/dbraw/zinc/67/56/84/932675684.db2.gz ZOYUHJGHZQUWGU-HNNXBMFYSA-N 1 2 298.342 3.075 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](CCCC(F)(F)F)C2 ZINC001333768654 932762086 /nfs/dbraw/zinc/76/20/86/932762086.db2.gz SVTWEDBJUIHBGS-UHFFFAOYSA-N 1 2 254.255 3.216 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](CCCC(F)(F)F)C2 ZINC001333768654 932762089 /nfs/dbraw/zinc/76/20/89/932762089.db2.gz SVTWEDBJUIHBGS-UHFFFAOYSA-N 1 2 254.255 3.216 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccc2ccc(Cl)cc2n1 ZINC001307495477 932962089 /nfs/dbraw/zinc/96/20/89/932962089.db2.gz DMUJRIJBWKAQDG-UHFFFAOYSA-N 1 2 282.774 3.347 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccc2ccc(Cl)cc2n1 ZINC001307495477 932962093 /nfs/dbraw/zinc/96/20/93/932962093.db2.gz DMUJRIJBWKAQDG-UHFFFAOYSA-N 1 2 282.774 3.347 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)CO1 ZINC001307898604 933016868 /nfs/dbraw/zinc/01/68/68/933016868.db2.gz ZRLVRNQSZANWTQ-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)CO1 ZINC001307898604 933016872 /nfs/dbraw/zinc/01/68/72/933016872.db2.gz ZRLVRNQSZANWTQ-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CC[C@H](C)[NH2+][C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC001307986297 933030592 /nfs/dbraw/zinc/03/05/92/933030592.db2.gz CWIKZXFZRWRSIR-SWLSCSKDSA-N 1 2 295.810 3.368 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C(C)(C)C)oc1C)C1CSC1 ZINC001308908693 933202581 /nfs/dbraw/zinc/20/25/81/933202581.db2.gz JETHDRQTNZPDQX-UHFFFAOYSA-N 1 2 277.433 3.436 20 30 CGEDLO C#CC[N@H+](Cc1cc(C(C)(C)C)oc1C)C1CSC1 ZINC001308908693 933202583 /nfs/dbraw/zinc/20/25/83/933202583.db2.gz JETHDRQTNZPDQX-UHFFFAOYSA-N 1 2 277.433 3.436 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001317169141 933543814 /nfs/dbraw/zinc/54/38/14/933543814.db2.gz FYUIXVUMPZYGQR-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001317169141 933543822 /nfs/dbraw/zinc/54/38/22/933543822.db2.gz FYUIXVUMPZYGQR-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1CCCCCC1)C1CC1 ZINC001317549551 933618223 /nfs/dbraw/zinc/61/82/23/933618223.db2.gz YWJONDYNSBMXCC-UHFFFAOYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1CCCCCC1)C1CC1 ZINC001317549551 933618230 /nfs/dbraw/zinc/61/82/30/933618230.db2.gz YWJONDYNSBMXCC-UHFFFAOYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OCC ZINC001474667097 933632188 /nfs/dbraw/zinc/63/21/88/933632188.db2.gz HQPJTHVTNJSJDW-CYBMUJFWSA-N 1 2 285.815 3.373 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](CC(C)C)C2)c1=S ZINC001319609821 933901162 /nfs/dbraw/zinc/90/11/62/933901162.db2.gz UEGJOEMSJCEEMN-AWEZNQCLSA-N 1 2 294.468 3.316 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](CC(C)C)C2)c1=S ZINC001319609821 933901165 /nfs/dbraw/zinc/90/11/65/933901165.db2.gz UEGJOEMSJCEEMN-AWEZNQCLSA-N 1 2 294.468 3.316 20 30 CGEDLO C[C@H]1CCc2nc(CNc3cc(CC#N)cc[nH+]3)sc2C1 ZINC001320273940 934023588 /nfs/dbraw/zinc/02/35/88/934023588.db2.gz CCBLDVDKPDMNON-NSHDSACASA-N 1 2 298.415 3.341 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@@H](CC)c1ccccc1)C(=O)OCC ZINC001320908457 934121921 /nfs/dbraw/zinc/12/19/21/934121921.db2.gz ZRDWLFIODHDNJU-ZBFHGGJFSA-N 1 2 275.392 3.278 20 30 CGEDLO CN(C)c1cc(CSc2cccc(F)c2C#N)cc[nH+]1 ZINC001473037717 937791163 /nfs/dbraw/zinc/79/11/63/937791163.db2.gz HTCZMHDQFOFNLE-UHFFFAOYSA-N 1 2 287.363 3.451 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccccc1F)C(=O)OCC ZINC001326379474 934975524 /nfs/dbraw/zinc/97/55/24/934975524.db2.gz AQXNNAHCTSXEGJ-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C#C[C@@H](Nc1nc(C)[nH+]c(C)c1C)c1ccccc1 ZINC001328134249 935120616 /nfs/dbraw/zinc/12/06/16/935120616.db2.gz JTJGJKGLAYGINW-OAHLLOKOSA-N 1 2 251.333 3.188 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)/C=C(/C)C1CC1)C(C)C ZINC001332689687 935480986 /nfs/dbraw/zinc/48/09/86/935480986.db2.gz WKUVUMITQGRTSS-RAXLEYEMSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)/C=C(/C)C1CC1)C(C)C ZINC001332689687 935480990 /nfs/dbraw/zinc/48/09/90/935480990.db2.gz WKUVUMITQGRTSS-RAXLEYEMSA-N 1 2 298.858 3.264 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487485 935540674 /nfs/dbraw/zinc/54/06/74/935540674.db2.gz IANOSOHEIKPEOZ-HUUCEWRRSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487485 935540676 /nfs/dbraw/zinc/54/06/76/935540676.db2.gz IANOSOHEIKPEOZ-HUUCEWRRSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487485 935540680 /nfs/dbraw/zinc/54/06/80/935540680.db2.gz IANOSOHEIKPEOZ-HUUCEWRRSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487485 935540682 /nfs/dbraw/zinc/54/06/82/935540682.db2.gz IANOSOHEIKPEOZ-HUUCEWRRSA-N 1 2 299.422 3.156 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(C)c1C1CC1 ZINC001333639915 935554625 /nfs/dbraw/zinc/55/46/25/935554625.db2.gz FAMJREOQFAXCAM-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(C)c1C1CC1 ZINC001333639915 935554629 /nfs/dbraw/zinc/55/46/29/935554629.db2.gz FAMJREOQFAXCAM-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC001336772318 936216622 /nfs/dbraw/zinc/21/66/22/936216622.db2.gz KJKCROFDHRRWTB-MAUKXSAKSA-N 1 2 290.370 3.204 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1N1CCCC1)C1CC1 ZINC001337042228 936233435 /nfs/dbraw/zinc/23/34/35/936233435.db2.gz IBHNCWPNPLONOS-OAHLLOKOSA-N 1 2 283.419 3.411 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1N1CCCC1)C1CC1 ZINC001337042228 936233436 /nfs/dbraw/zinc/23/34/36/936233436.db2.gz IBHNCWPNPLONOS-OAHLLOKOSA-N 1 2 283.419 3.411 20 30 CGEDLO COc1ccc(NCc2c[nH+]c3c(C)cccn23)cc1C#N ZINC001474242544 937846082 /nfs/dbraw/zinc/84/60/82/937846082.db2.gz PAJJFAGECCKHPV-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC001476303828 937887575 /nfs/dbraw/zinc/88/75/75/937887575.db2.gz SMQKCPHZACSYKI-LSDHHAIUSA-N 1 2 287.407 3.377 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001505896922 937987618 /nfs/dbraw/zinc/98/76/18/937987618.db2.gz MYKHBPRJYQQKLP-LBPRGKRZSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001505896922 937987619 /nfs/dbraw/zinc/98/76/19/937987619.db2.gz MYKHBPRJYQQKLP-LBPRGKRZSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)C(CC)CC)C(C)C ZINC001507760463 937996668 /nfs/dbraw/zinc/99/66/68/937996668.db2.gz WLMRZKHLYXLZNN-UHFFFAOYSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)C(CC)CC)C(C)C ZINC001507760463 937996669 /nfs/dbraw/zinc/99/66/69/937996669.db2.gz WLMRZKHLYXLZNN-UHFFFAOYSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C/C(C)=C/CC(=O)N(CC[N@H+](C)CC(=C)Cl)C(C)C ZINC001507827477 937996822 /nfs/dbraw/zinc/99/68/22/937996822.db2.gz BGEVERANKDNITP-RIYZIHGNSA-N 1 2 298.858 3.430 20 30 CGEDLO C=C/C(C)=C/CC(=O)N(CC[N@@H+](C)CC(=C)Cl)C(C)C ZINC001507827477 937996823 /nfs/dbraw/zinc/99/68/23/937996823.db2.gz BGEVERANKDNITP-RIYZIHGNSA-N 1 2 298.858 3.430 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001521244905 938030847 /nfs/dbraw/zinc/03/08/47/938030847.db2.gz VZKJCUNJIRRBEO-MRXNPFEDSA-N 1 2 295.386 3.086 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001521244905 938030848 /nfs/dbraw/zinc/03/08/48/938030848.db2.gz VZKJCUNJIRRBEO-MRXNPFEDSA-N 1 2 295.386 3.086 20 30 CGEDLO CCN(CC)c1ccc(Nc2cc(C#N)cc(C)n2)c[nH+]1 ZINC001559070856 938219663 /nfs/dbraw/zinc/21/96/63/938219663.db2.gz VDNZRZBRCOKXSM-UHFFFAOYSA-N 1 2 281.363 3.247 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC001559938183 938239817 /nfs/dbraw/zinc/23/98/17/938239817.db2.gz YSDMZBTXSWCGNX-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC001559938183 938239818 /nfs/dbraw/zinc/23/98/18/938239818.db2.gz YSDMZBTXSWCGNX-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)C(=O)OCC ZINC001560967810 938286932 /nfs/dbraw/zinc/28/69/32/938286932.db2.gz PSUCFFGLUXDZRN-XUXIUFHCSA-N 1 2 285.815 3.229 20 30 CGEDLO CC#Cc1cncc(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001211058489 958846337 /nfs/dbraw/zinc/84/63/37/958846337.db2.gz YNHFCNHKJPCFOZ-UHFFFAOYSA-N 1 2 274.327 3.382 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2scc(C)c2Cl)CC1 ZINC001565502714 960793709 /nfs/dbraw/zinc/79/37/09/960793709.db2.gz HJCVWHYWEKYVQN-UHFFFAOYSA-N 1 2 298.839 3.044 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC(C)(C)CC ZINC001567333696 961293526 /nfs/dbraw/zinc/29/35/26/961293526.db2.gz FSENUWWYYMUMKQ-UHFFFAOYSA-N 1 2 274.836 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC(C)(C)CC ZINC001567333696 961293549 /nfs/dbraw/zinc/29/35/49/961293549.db2.gz FSENUWWYYMUMKQ-UHFFFAOYSA-N 1 2 274.836 3.003 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001569491724 961777942 /nfs/dbraw/zinc/77/79/42/961777942.db2.gz BNHFWTFVVJRAHS-OAHLLOKOSA-N 1 2 280.456 3.312 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C(C)(CC)CC)cc2C1 ZINC001570313933 961944707 /nfs/dbraw/zinc/94/47/07/961944707.db2.gz OJYRLCGYQWGORX-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(CC)CC)cc2C1 ZINC001570313933 961944722 /nfs/dbraw/zinc/94/47/22/961944722.db2.gz OJYRLCGYQWGORX-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000589990822 346820951 /nfs/dbraw/zinc/82/09/51/346820951.db2.gz FIGJKCCKZBVMNM-VIFPVBQESA-N 1 2 273.311 3.153 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590638580 346857476 /nfs/dbraw/zinc/85/74/76/346857476.db2.gz LJIHOPONSOYKPF-UHFFFAOYSA-N 1 2 263.728 3.217 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590638580 346857479 /nfs/dbraw/zinc/85/74/79/346857479.db2.gz LJIHOPONSOYKPF-UHFFFAOYSA-N 1 2 263.728 3.217 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000590759699 346872351 /nfs/dbraw/zinc/87/23/51/346872351.db2.gz ITNGTOBGHRYCIA-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000590759699 346872352 /nfs/dbraw/zinc/87/23/52/346872352.db2.gz ITNGTOBGHRYCIA-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1ccc(CNc2cc(NC3CC3)[nH+]cn2)cc1Cl ZINC000591158612 346905846 /nfs/dbraw/zinc/90/58/46/346905846.db2.gz SUIXTMDPLFQXBA-UHFFFAOYSA-N 1 2 299.765 3.188 20 30 CGEDLO N#Cc1ccc(CNc2cc(NC3CC3)nc[nH+]2)cc1Cl ZINC000591158612 346905850 /nfs/dbraw/zinc/90/58/50/346905850.db2.gz SUIXTMDPLFQXBA-UHFFFAOYSA-N 1 2 299.765 3.188 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591348832 346916996 /nfs/dbraw/zinc/91/69/96/346916996.db2.gz HLZVNBXTHNWQJC-APPDUMDISA-N 1 2 280.375 3.318 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1)C(=O)OC ZINC000591376442 346918451 /nfs/dbraw/zinc/91/84/51/346918451.db2.gz FPMNRZFHSHDANS-QEJZJMRPSA-N 1 2 293.794 3.293 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC000591377364 346918811 /nfs/dbraw/zinc/91/88/11/346918811.db2.gz SUXMSUDVVYKMMF-SNPRPXQTSA-N 1 2 293.794 3.293 20 30 CGEDLO Cc1ccc2c(c1)[C@H](Nc1cc(C)[nH+]cc1C#N)CC2 ZINC000591820481 346938929 /nfs/dbraw/zinc/93/89/29/346938929.db2.gz XJPHKXFMPRGWRN-MRXNPFEDSA-N 1 2 263.344 3.091 20 30 CGEDLO Cc1ccccc1C[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592064270 346958201 /nfs/dbraw/zinc/95/82/01/346958201.db2.gz BJZHMGDXEVVDQB-UHFFFAOYSA-N 1 2 277.371 3.426 20 30 CGEDLO Cc1ccccc1C[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592064270 346958204 /nfs/dbraw/zinc/95/82/04/346958204.db2.gz BJZHMGDXEVVDQB-UHFFFAOYSA-N 1 2 277.371 3.426 20 30 CGEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592094544 346962776 /nfs/dbraw/zinc/96/27/76/346962776.db2.gz QHZIBWRHQYLCNQ-ZDUSSCGKSA-N 1 2 281.359 3.121 20 30 CGEDLO N#Cc1cnccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000592066040 346959289 /nfs/dbraw/zinc/95/92/89/346959289.db2.gz FLKXNCJCKWWUPV-UHFFFAOYSA-N 1 2 299.418 3.267 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000592069058 346959587 /nfs/dbraw/zinc/95/95/87/346959587.db2.gz LZKYOUJEBCVNQU-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000592069058 346959590 /nfs/dbraw/zinc/95/95/90/346959590.db2.gz LZKYOUJEBCVNQU-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO COc1ccccc1C1([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000592145118 346966588 /nfs/dbraw/zinc/96/65/88/346966588.db2.gz NPWKWHPYORQIHU-UHFFFAOYSA-N 1 2 296.345 3.485 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592188459 346970508 /nfs/dbraw/zinc/97/05/08/346970508.db2.gz RPOIUNUQGSNBFV-CVEARBPZSA-N 1 2 283.371 3.107 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592188459 346970510 /nfs/dbraw/zinc/97/05/10/346970510.db2.gz RPOIUNUQGSNBFV-CVEARBPZSA-N 1 2 283.371 3.107 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC#Cc1ccccc1 ZINC000593117030 347041574 /nfs/dbraw/zinc/04/15/74/347041574.db2.gz LWCWIFUPJAWXKY-MRXNPFEDSA-N 1 2 287.403 3.090 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC000593117030 347041575 /nfs/dbraw/zinc/04/15/75/347041575.db2.gz LWCWIFUPJAWXKY-MRXNPFEDSA-N 1 2 287.403 3.090 20 30 CGEDLO N#Cc1ccsc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000052034126 345096560 /nfs/dbraw/zinc/09/65/60/345096560.db2.gz YUBBTOWEAKUXSS-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO C=CCN(CC=C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060526169 345218139 /nfs/dbraw/zinc/21/81/39/345218139.db2.gz ZFQCPIHOEBQJOE-JXMROGBWSA-N 1 2 293.370 3.086 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C#N)CCC#N ZINC000077410114 345571607 /nfs/dbraw/zinc/57/16/07/345571607.db2.gz YIBWNKWWEAVULW-INIZCTEOSA-N 1 2 283.375 3.127 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C#N)CCC#N ZINC000077410114 345571610 /nfs/dbraw/zinc/57/16/10/345571610.db2.gz YIBWNKWWEAVULW-INIZCTEOSA-N 1 2 283.375 3.127 20 30 CGEDLO N#Cc1ccc(CNc2cc[nH+]c3ccncc23)cc1 ZINC000085688404 345747878 /nfs/dbraw/zinc/74/78/78/345747878.db2.gz HTTJPECKDCJDGL-UHFFFAOYSA-N 1 2 260.300 3.114 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C)C#N ZINC000187377835 346260302 /nfs/dbraw/zinc/26/03/02/346260302.db2.gz FUJRWDFDZOHPJL-CYBMUJFWSA-N 1 2 281.359 3.006 20 30 CGEDLO Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)oc1C ZINC000223732077 346301496 /nfs/dbraw/zinc/30/14/96/346301496.db2.gz KWNFXJSGXNGWHC-LLVKDONJSA-N 1 2 255.321 3.014 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(C3CC3)n2)CCCC1 ZINC000593652765 347099096 /nfs/dbraw/zinc/09/90/96/347099096.db2.gz KYMNQAAQGXTTGP-UHFFFAOYSA-N 1 2 261.394 3.194 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000593621432 347096508 /nfs/dbraw/zinc/09/65/08/347096508.db2.gz KGZKQJLFDIMERQ-NSHDSACASA-N 1 2 264.731 3.360 20 30 CGEDLO C=CC[N@@H+](Cc1snnc1C)Cc1ccccc1 ZINC000570118766 346666358 /nfs/dbraw/zinc/66/63/58/346666358.db2.gz QOGGNUMELLTCQW-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@H+](Cc1snnc1C)Cc1ccccc1 ZINC000570118766 346666361 /nfs/dbraw/zinc/66/63/61/346666361.db2.gz QOGGNUMELLTCQW-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO N#C[C@H](c1ccccc1)[NH+]1CCc2ccccc2CC1 ZINC000595320670 347292164 /nfs/dbraw/zinc/29/21/64/347292164.db2.gz FJKHOUMCKRTPDY-GOSISDBHSA-N 1 2 262.356 3.352 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595334548 347293995 /nfs/dbraw/zinc/29/39/95/347293995.db2.gz SDHCXEOOIAVMQZ-KFWWJZLASA-N 1 2 258.365 3.431 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595334548 347293999 /nfs/dbraw/zinc/29/39/99/347293999.db2.gz SDHCXEOOIAVMQZ-KFWWJZLASA-N 1 2 258.365 3.431 20 30 CGEDLO CO[C@H](C[N@H+](CCC#N)Cc1cccnc1)C1CCCC1 ZINC000595340425 347294030 /nfs/dbraw/zinc/29/40/30/347294030.db2.gz WIFMFJUWMQZERH-QGZVFWFLSA-N 1 2 287.407 3.002 20 30 CGEDLO CO[C@H](C[N@@H+](CCC#N)Cc1cccnc1)C1CCCC1 ZINC000595340425 347294033 /nfs/dbraw/zinc/29/40/33/347294033.db2.gz WIFMFJUWMQZERH-QGZVFWFLSA-N 1 2 287.407 3.002 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(C2CC2)no1 ZINC000595343906 347295012 /nfs/dbraw/zinc/29/50/12/347295012.db2.gz HLLNJQRVGGXXKK-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(C2CC2)no1 ZINC000595343906 347295015 /nfs/dbraw/zinc/29/50/15/347295015.db2.gz HLLNJQRVGGXXKK-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cn2ccccc2n1 ZINC000595091178 347280594 /nfs/dbraw/zinc/28/05/94/347280594.db2.gz NBJBSNCOFFBAMC-CQSZACIVSA-N 1 2 282.391 3.459 20 30 CGEDLO COc1ccc([C@H](C)C[N@H+]([C@H](C)C#N)C2CC2)cc1 ZINC000595710103 347344352 /nfs/dbraw/zinc/34/43/52/347344352.db2.gz LIWZIAMHURHCHZ-CHWSQXEVSA-N 1 2 258.365 3.175 20 30 CGEDLO COc1ccc([C@H](C)C[N@@H+]([C@H](C)C#N)C2CC2)cc1 ZINC000595710103 347344354 /nfs/dbraw/zinc/34/43/54/347344354.db2.gz LIWZIAMHURHCHZ-CHWSQXEVSA-N 1 2 258.365 3.175 20 30 CGEDLO C=CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000595766064 347353588 /nfs/dbraw/zinc/35/35/88/347353588.db2.gz RFUYKEDSUVBGGQ-UHFFFAOYSA-N 1 2 273.336 3.253 20 30 CGEDLO C=CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000595766064 347353590 /nfs/dbraw/zinc/35/35/90/347353590.db2.gz RFUYKEDSUVBGGQ-UHFFFAOYSA-N 1 2 273.336 3.253 20 30 CGEDLO N#C[C@]1(F)CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595457393 347306817 /nfs/dbraw/zinc/30/68/17/347306817.db2.gz WWWSYPBWNQTELN-GOEBONIOSA-N 1 2 258.340 3.044 20 30 CGEDLO N#C[C@]1(F)CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595457393 347306821 /nfs/dbraw/zinc/30/68/21/347306821.db2.gz WWWSYPBWNQTELN-GOEBONIOSA-N 1 2 258.340 3.044 20 30 CGEDLO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000595473187 347308642 /nfs/dbraw/zinc/30/86/42/347308642.db2.gz UMXBVUDQXPDNPR-CQSZACIVSA-N 1 2 264.319 3.220 20 30 CGEDLO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000595473187 347308644 /nfs/dbraw/zinc/30/86/44/347308644.db2.gz UMXBVUDQXPDNPR-CQSZACIVSA-N 1 2 264.319 3.220 20 30 CGEDLO C=CC[N@H+](CCC#N)CCc1nsc2ccccc21 ZINC000595502981 347312289 /nfs/dbraw/zinc/31/22/89/347312289.db2.gz YAMPQNLKSJLVKG-UHFFFAOYSA-N 1 2 271.389 3.240 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCc1nsc2ccccc21 ZINC000595502981 347312292 /nfs/dbraw/zinc/31/22/92/347312292.db2.gz YAMPQNLKSJLVKG-UHFFFAOYSA-N 1 2 271.389 3.240 20 30 CGEDLO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)co1 ZINC000595560023 347319049 /nfs/dbraw/zinc/31/90/49/347319049.db2.gz BFKLRAXOEHYFHF-UHFFFAOYSA-N 1 2 267.332 3.024 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000595834098 347363695 /nfs/dbraw/zinc/36/36/95/347363695.db2.gz GTFIJPIMXMWGOA-AWEZNQCLSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000595834098 347363697 /nfs/dbraw/zinc/36/36/97/347363697.db2.gz GTFIJPIMXMWGOA-AWEZNQCLSA-N 1 2 266.291 3.024 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595884517 347370218 /nfs/dbraw/zinc/37/02/18/347370218.db2.gz AILPLGAUBOPVOU-CQSZACIVSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595884517 347370221 /nfs/dbraw/zinc/37/02/21/347370221.db2.gz AILPLGAUBOPVOU-CQSZACIVSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)ccc1C#N ZINC000595886014 347370380 /nfs/dbraw/zinc/37/03/80/347370380.db2.gz LKSVSRGUTMJXNU-CQSZACIVSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)ccc1C#N ZINC000595886014 347370383 /nfs/dbraw/zinc/37/03/83/347370383.db2.gz LKSVSRGUTMJXNU-CQSZACIVSA-N 1 2 298.308 3.020 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595918119 347372874 /nfs/dbraw/zinc/37/28/74/347372874.db2.gz OSMLEMPDXDRMEU-HSMVNMDESA-N 1 2 294.345 3.364 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595918119 347372876 /nfs/dbraw/zinc/37/28/76/347372876.db2.gz OSMLEMPDXDRMEU-HSMVNMDESA-N 1 2 294.345 3.364 20 30 CGEDLO COc1cccc2c1cc[nH+]c2N1CCC[C@@H](CC#N)C1 ZINC000596325184 347417955 /nfs/dbraw/zinc/41/79/55/347417955.db2.gz HTSRWBRLHQWOHA-ZDUSSCGKSA-N 1 2 281.359 3.373 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000597175480 347544307 /nfs/dbraw/zinc/54/43/07/347544307.db2.gz ZVVFRYWGHWFAAK-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000597175480 347544309 /nfs/dbraw/zinc/54/43/09/347544309.db2.gz ZVVFRYWGHWFAAK-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2OC(F)F)CCC1 ZINC000597153358 347541518 /nfs/dbraw/zinc/54/15/18/347541518.db2.gz JAIVDLOHDPPYFZ-UHFFFAOYSA-N 1 2 284.281 3.211 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC(F)F ZINC000597229247 347557345 /nfs/dbraw/zinc/55/73/45/347557345.db2.gz KBSIVSQLGXAYTQ-OAHLLOKOSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OC(F)F ZINC000597229247 347557348 /nfs/dbraw/zinc/55/73/48/347557348.db2.gz KBSIVSQLGXAYTQ-OAHLLOKOSA-N 1 2 296.317 3.032 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229542 347558687 /nfs/dbraw/zinc/55/86/87/347558687.db2.gz CLAWKQHPTIZMQB-GOSISDBHSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229542 347558690 /nfs/dbraw/zinc/55/86/90/347558690.db2.gz CLAWKQHPTIZMQB-GOSISDBHSA-N 1 2 294.402 3.225 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597231385 347559185 /nfs/dbraw/zinc/55/91/85/347559185.db2.gz MKJZMQHPFKYYFH-QGZVFWFLSA-N 1 2 281.359 3.001 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597231385 347559187 /nfs/dbraw/zinc/55/91/87/347559187.db2.gz MKJZMQHPFKYYFH-QGZVFWFLSA-N 1 2 281.359 3.001 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000597194087 347549039 /nfs/dbraw/zinc/54/90/39/347549039.db2.gz MXZWPAYPGGBPIZ-UHFFFAOYSA-N 1 2 272.245 3.190 20 30 CGEDLO N#CCC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599071372 347713788 /nfs/dbraw/zinc/71/37/88/347713788.db2.gz UFBCEFCATVNOQS-UHFFFAOYSA-N 1 2 282.303 3.249 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(C3CC3)no1)C2 ZINC000599679107 347765359 /nfs/dbraw/zinc/76/53/59/347765359.db2.gz WDWBJFDASRZRNY-UHFFFAOYSA-N 1 2 293.370 3.176 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(C3CC3)no1)C2 ZINC000599679107 347765361 /nfs/dbraw/zinc/76/53/61/347765361.db2.gz WDWBJFDASRZRNY-UHFFFAOYSA-N 1 2 293.370 3.176 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599629189 347759753 /nfs/dbraw/zinc/75/97/53/347759753.db2.gz XZMUVGKFWJXEIC-SNVBAGLBSA-N 1 2 295.289 3.086 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599629189 347759755 /nfs/dbraw/zinc/75/97/55/347759755.db2.gz XZMUVGKFWJXEIC-SNVBAGLBSA-N 1 2 295.289 3.086 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000600601236 347813174 /nfs/dbraw/zinc/81/31/74/347813174.db2.gz CIKDRKJTYQQZBZ-HNNXBMFYSA-N 1 2 293.382 3.102 20 30 CGEDLO Cc1[nH]c(CN2CC=C(c3ccc(C#N)cc3)CC2)[nH+]c1C ZINC000600132618 347782693 /nfs/dbraw/zinc/78/26/93/347782693.db2.gz MDUFHLJFTKRUTL-UHFFFAOYSA-N 1 2 292.386 3.188 20 30 CGEDLO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]c1C ZINC000600132618 347782696 /nfs/dbraw/zinc/78/26/96/347782696.db2.gz MDUFHLJFTKRUTL-UHFFFAOYSA-N 1 2 292.386 3.188 20 30 CGEDLO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]c1C ZINC000600132618 347782699 /nfs/dbraw/zinc/78/26/99/347782699.db2.gz MDUFHLJFTKRUTL-UHFFFAOYSA-N 1 2 292.386 3.188 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600143448 347784291 /nfs/dbraw/zinc/78/42/91/347784291.db2.gz BWSDIQYPUZNXMG-SSDOTTSWSA-N 1 2 289.123 3.119 20 30 CGEDLO N#Cc1cccc(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)c1 ZINC000600777591 347833930 /nfs/dbraw/zinc/83/39/30/347833930.db2.gz RCEPRGQEJIJIPY-IRXDYDNUSA-N 1 2 293.370 3.336 20 30 CGEDLO Cn1nc2c(c1C[N@H+](CCC#N)CC(C)(C)C)CCCC2 ZINC000602465579 347963204 /nfs/dbraw/zinc/96/32/04/347963204.db2.gz PMBMYOQDWAXHQS-UHFFFAOYSA-N 1 2 288.439 3.061 20 30 CGEDLO Cn1nc2c(c1C[N@@H+](CCC#N)CC(C)(C)C)CCCC2 ZINC000602465579 347963207 /nfs/dbraw/zinc/96/32/07/347963207.db2.gz PMBMYOQDWAXHQS-UHFFFAOYSA-N 1 2 288.439 3.061 20 30 CGEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1c[nH+]c2c(c1)CCCC2 ZINC000602598359 347991094 /nfs/dbraw/zinc/99/10/94/347991094.db2.gz BRNKEDBNNLBQDT-AWEZNQCLSA-N 1 2 299.418 3.471 20 30 CGEDLO N#Cc1cccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)n1 ZINC000602730641 348019893 /nfs/dbraw/zinc/01/98/93/348019893.db2.gz SJQBVMLSZQHDNU-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO COc1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)c2ccccc21 ZINC000602806929 348032673 /nfs/dbraw/zinc/03/26/73/348032673.db2.gz UHRNYGPAILTRAU-GOSISDBHSA-N 1 2 295.386 3.369 20 30 CGEDLO COc1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)c2ccccc21 ZINC000602806929 348032676 /nfs/dbraw/zinc/03/26/76/348032676.db2.gz UHRNYGPAILTRAU-GOSISDBHSA-N 1 2 295.386 3.369 20 30 CGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CC1(CC#N)CC1 ZINC000602852283 348036274 /nfs/dbraw/zinc/03/62/74/348036274.db2.gz OUGSDAHUMPDXLW-CJNGLKHVSA-N 1 2 288.366 3.281 20 30 CGEDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CC1(CC#N)CC1 ZINC000602852283 348036276 /nfs/dbraw/zinc/03/62/76/348036276.db2.gz OUGSDAHUMPDXLW-CJNGLKHVSA-N 1 2 288.366 3.281 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[C@H]1C#N ZINC000602977750 348049364 /nfs/dbraw/zinc/04/93/64/348049364.db2.gz GPSQAPOQICOATA-IINYFYTJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[C@H]1C#N ZINC000602977750 348049367 /nfs/dbraw/zinc/04/93/67/348049367.db2.gz GPSQAPOQICOATA-IINYFYTJSA-N 1 2 250.292 3.089 20 30 CGEDLO COc1ccc(C[NH2+][C@@H](C)C(F)F)cc1OCCCC#N ZINC000603430578 348082764 /nfs/dbraw/zinc/08/27/64/348082764.db2.gz TXATUMWWRIDFHN-NSHDSACASA-N 1 2 298.333 3.121 20 30 CGEDLO CC#CCN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000607724010 348258435 /nfs/dbraw/zinc/25/84/35/348258435.db2.gz GPHJEDJUWYYBLT-AWEZNQCLSA-N 1 2 276.811 3.042 20 30 CGEDLO CC#CC[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000607724010 348258438 /nfs/dbraw/zinc/25/84/38/348258438.db2.gz GPHJEDJUWYYBLT-AWEZNQCLSA-N 1 2 276.811 3.042 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000609486126 348345459 /nfs/dbraw/zinc/34/54/59/348345459.db2.gz DHXYHCNZZHTEKS-WMLDXEAASA-N 1 2 289.398 3.052 20 30 CGEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012921 348361021 /nfs/dbraw/zinc/36/10/21/348361021.db2.gz LJBRJENRWKSGJH-ZDUSSCGKSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012921 348361022 /nfs/dbraw/zinc/36/10/22/348361022.db2.gz LJBRJENRWKSGJH-ZDUSSCGKSA-N 1 2 288.391 3.110 20 30 CGEDLO C[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410646 348448090 /nfs/dbraw/zinc/44/80/90/348448090.db2.gz RXVRFOMHXULESH-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO C[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410646 348448091 /nfs/dbraw/zinc/44/80/91/348448091.db2.gz RXVRFOMHXULESH-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000612164095 348498537 /nfs/dbraw/zinc/49/85/37/348498537.db2.gz YVHOUCZONWRZKQ-OAHLLOKOSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000612164095 348498539 /nfs/dbraw/zinc/49/85/39/348498539.db2.gz YVHOUCZONWRZKQ-OAHLLOKOSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000612167497 348499314 /nfs/dbraw/zinc/49/93/14/348499314.db2.gz ZTJARIVXBUZESE-MRXNPFEDSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000612167497 348499316 /nfs/dbraw/zinc/49/93/16/348499316.db2.gz ZTJARIVXBUZESE-MRXNPFEDSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000612406105 348516694 /nfs/dbraw/zinc/51/66/94/348516694.db2.gz IGZJWIIZXQNRFR-QGZVFWFLSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000612406105 348516697 /nfs/dbraw/zinc/51/66/97/348516697.db2.gz IGZJWIIZXQNRFR-QGZVFWFLSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000612406340 348517695 /nfs/dbraw/zinc/51/76/95/348517695.db2.gz KHUCZKVEDFYUGH-HQQUCIOCSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000612406340 348517697 /nfs/dbraw/zinc/51/76/97/348517697.db2.gz KHUCZKVEDFYUGH-HQQUCIOCSA-N 1 2 285.347 3.234 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccco1 ZINC000612475349 348521926 /nfs/dbraw/zinc/52/19/26/348521926.db2.gz KZEXDCZFHALWOT-MRXNPFEDSA-N 1 2 299.374 3.050 20 30 CGEDLO C=CCCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000617616847 348985057 /nfs/dbraw/zinc/98/50/57/348985057.db2.gz JZZBWMLAPVIFDD-UHFFFAOYSA-N 1 2 285.391 3.071 20 30 CGEDLO N#CCC[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000618824312 349158403 /nfs/dbraw/zinc/15/84/03/349158403.db2.gz CFGOVCOBQQHQSG-AWEZNQCLSA-N 1 2 297.427 3.419 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1c(CC)oc2ccccc21 ZINC000619715892 349277982 /nfs/dbraw/zinc/27/79/82/349277982.db2.gz ZBCBUXWKCGJURA-CQSZACIVSA-N 1 2 287.359 3.155 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1c(CC)oc2ccccc21 ZINC000619715892 349277984 /nfs/dbraw/zinc/27/79/84/349277984.db2.gz ZBCBUXWKCGJURA-CQSZACIVSA-N 1 2 287.359 3.155 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000619721637 349278731 /nfs/dbraw/zinc/27/87/31/349278731.db2.gz UURDGIWGIGHAKK-OAHLLOKOSA-N 1 2 293.794 3.247 20 30 CGEDLO C[C@H](C[N@H+](CCC#N)Cc1ccccn1)C(C)(C)C ZINC000619844259 349286535 /nfs/dbraw/zinc/28/65/35/349286535.db2.gz IPVWKFZFMNOUSK-CQSZACIVSA-N 1 2 259.397 3.479 20 30 CGEDLO C[C@H](C[N@@H+](CCC#N)Cc1ccccn1)C(C)(C)C ZINC000619844259 349286538 /nfs/dbraw/zinc/28/65/38/349286538.db2.gz IPVWKFZFMNOUSK-CQSZACIVSA-N 1 2 259.397 3.479 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000626432229 350305252 /nfs/dbraw/zinc/30/52/52/350305252.db2.gz FXFRUULSSDSYNL-CYBMUJFWSA-N 1 2 259.353 3.128 20 30 CGEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000271387907 191110517 /nfs/dbraw/zinc/11/05/17/191110517.db2.gz JMKSZDZZUGGPRB-UHFFFAOYSA-N 1 2 254.333 3.492 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000271387907 191110521 /nfs/dbraw/zinc/11/05/21/191110521.db2.gz JMKSZDZZUGGPRB-UHFFFAOYSA-N 1 2 254.333 3.492 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000122949327 187061677 /nfs/dbraw/zinc/06/16/77/187061677.db2.gz CNJYWUYLOYDWLE-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000122949327 187061678 /nfs/dbraw/zinc/06/16/78/187061678.db2.gz CNJYWUYLOYDWLE-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO Cc1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000336379658 213233492 /nfs/dbraw/zinc/23/34/92/213233492.db2.gz XKBJJAIWXMLIAS-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO Cc1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000336379658 213233494 /nfs/dbraw/zinc/23/34/94/213233494.db2.gz XKBJJAIWXMLIAS-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO Cc1cc(NC[C@H](C)c2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425214909 236220364 /nfs/dbraw/zinc/22/03/64/236220364.db2.gz LDXBDLNUMFZNPS-NSHDSACASA-N 1 2 269.323 3.038 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)n1 ZINC000428351464 236396479 /nfs/dbraw/zinc/39/64/79/236396479.db2.gz XNMMHVSHYHRVLN-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)n1 ZINC000428351463 236397241 /nfs/dbraw/zinc/39/72/41/236397241.db2.gz XNMMHVSHYHRVLN-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341800332 216111072 /nfs/dbraw/zinc/11/10/72/216111072.db2.gz RJFXCLIGNGCZAE-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341800332 216111075 /nfs/dbraw/zinc/11/10/75/216111075.db2.gz RJFXCLIGNGCZAE-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C=CCC(CC=C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000176898074 189013556 /nfs/dbraw/zinc/01/35/56/189013556.db2.gz IRBYTLYZDVIKJV-UHFFFAOYSA-N 1 2 297.402 3.229 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3nc4ccccc4o3)CC2)c1 ZINC000341946510 216162302 /nfs/dbraw/zinc/16/23/02/216162302.db2.gz VFURHMKSSHCSNK-UHFFFAOYSA-N 1 2 289.338 3.478 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000178794159 189146794 /nfs/dbraw/zinc/14/67/94/189146794.db2.gz TXUAREYZWXPJLY-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000180867276 189280372 /nfs/dbraw/zinc/28/03/72/189280372.db2.gz DRFKMIGVNHZFBP-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180867276 189280373 /nfs/dbraw/zinc/28/03/73/189280373.db2.gz DRFKMIGVNHZFBP-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCCc2cc[nH+]cc2C)c1 ZINC000302146287 201365367 /nfs/dbraw/zinc/36/53/67/201365367.db2.gz RFQXWBBNIYVIBJ-UHFFFAOYSA-N 1 2 279.343 3.119 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000119905730 370721881 /nfs/dbraw/zinc/72/18/81/370721881.db2.gz PUYJDCMBKSMKNO-OAHLLOKOSA-N 1 2 294.345 3.278 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000119905730 370721885 /nfs/dbraw/zinc/72/18/85/370721885.db2.gz PUYJDCMBKSMKNO-OAHLLOKOSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000120074750 370735682 /nfs/dbraw/zinc/73/56/82/370735682.db2.gz LNJRHQJONQXYLB-QWRGUYRKSA-N 1 2 282.347 3.230 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc(C#N)cc1 ZINC000120074876 370736263 /nfs/dbraw/zinc/73/62/63/370736263.db2.gz LNJRHQJONQXYLB-MNOVXSKESA-N 1 2 282.347 3.230 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)nc1 ZINC000122464409 370904963 /nfs/dbraw/zinc/90/49/63/370904963.db2.gz ZUFKUBRYNHLJAE-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)nc1 ZINC000122464409 370904966 /nfs/dbraw/zinc/90/49/66/370904966.db2.gz ZUFKUBRYNHLJAE-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000126040436 370942920 /nfs/dbraw/zinc/94/29/20/370942920.db2.gz UNHSXJXFQJGWHZ-ZDUSSCGKSA-N 1 2 279.181 3.500 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000126040436 370942922 /nfs/dbraw/zinc/94/29/22/370942922.db2.gz UNHSXJXFQJGWHZ-ZDUSSCGKSA-N 1 2 279.181 3.500 20 30 CGEDLO N#Cc1cccc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000036939928 369041201 /nfs/dbraw/zinc/04/12/01/369041201.db2.gz LQOXXZXIERFTQI-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO N#Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000037203118 369076048 /nfs/dbraw/zinc/07/60/48/369076048.db2.gz DLKDQPUHJCYRQC-UHFFFAOYSA-N 1 2 278.359 3.034 20 30 CGEDLO C[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000042316444 369213495 /nfs/dbraw/zinc/21/34/95/369213495.db2.gz OXNKGOXYCGLXHC-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000042316444 369213500 /nfs/dbraw/zinc/21/35/00/369213500.db2.gz OXNKGOXYCGLXHC-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066849527 369706967 /nfs/dbraw/zinc/70/69/67/369706967.db2.gz ICMWLYOGQRQQIC-OAHLLOKOSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066849527 369706974 /nfs/dbraw/zinc/70/69/74/369706974.db2.gz ICMWLYOGQRQQIC-OAHLLOKOSA-N 1 2 280.318 3.032 20 30 CGEDLO Cc1ccc(CCNc2ccc(F)cc2C#N)c[nH+]1 ZINC000080982070 369991788 /nfs/dbraw/zinc/99/17/88/369991788.db2.gz GAMGKJQBRBUDNZ-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO CC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H](C)C#N ZINC000091982878 370083244 /nfs/dbraw/zinc/08/32/44/370083244.db2.gz HRVGFFDAERHBMZ-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](C)C#N ZINC000091982878 370083248 /nfs/dbraw/zinc/08/32/48/370083248.db2.gz HRVGFFDAERHBMZ-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H](C)C#N ZINC000091982479 370084240 /nfs/dbraw/zinc/08/42/40/370084240.db2.gz RQWUKOHBXFMSHF-JTQLQIEISA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H](C)C#N ZINC000091982479 370084247 /nfs/dbraw/zinc/08/42/47/370084247.db2.gz RQWUKOHBXFMSHF-JTQLQIEISA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](C)C#N ZINC000091982876 370084608 /nfs/dbraw/zinc/08/46/08/370084608.db2.gz HRVGFFDAERHBMZ-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](C)C#N ZINC000091982876 370084614 /nfs/dbraw/zinc/08/46/14/370084614.db2.gz HRVGFFDAERHBMZ-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO C[S@](=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101269 370109916 /nfs/dbraw/zinc/10/99/16/370109916.db2.gz XJHOAWGKDOTCCF-HXUWFJFHSA-N 1 2 292.448 3.186 20 30 CGEDLO C[S@](=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101269 370109920 /nfs/dbraw/zinc/10/99/20/370109920.db2.gz XJHOAWGKDOTCCF-HXUWFJFHSA-N 1 2 292.448 3.186 20 30 CGEDLO C=CC1CC[NH+](Cc2noc(-c3ccc(OC)cc3)n2)CC1 ZINC000111258104 370394526 /nfs/dbraw/zinc/39/45/26/370394526.db2.gz LPGBZOWEGXYOSY-UHFFFAOYSA-N 1 2 299.374 3.143 20 30 CGEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCC#N ZINC000111309774 370396029 /nfs/dbraw/zinc/39/60/29/370396029.db2.gz RDBDNKYFJAUXAN-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCC#N ZINC000111309774 370396032 /nfs/dbraw/zinc/39/60/32/370396032.db2.gz RDBDNKYFJAUXAN-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO CC(C)(C)OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000119077291 370641866 /nfs/dbraw/zinc/64/18/66/370641866.db2.gz LRCGQIWCNCLFIB-UHFFFAOYSA-N 1 2 290.382 3.477 20 30 CGEDLO C[C@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000118413433 370614716 /nfs/dbraw/zinc/61/47/16/370614716.db2.gz HCSZQXQNGWQZJY-WDEREUQCSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000118413433 370614721 /nfs/dbraw/zinc/61/47/21/370614721.db2.gz HCSZQXQNGWQZJY-WDEREUQCSA-N 1 2 264.369 3.023 20 30 CGEDLO COc1ccc(C#N)cc1C[NH+]1Cc2ccccc2C1 ZINC000130453764 371034680 /nfs/dbraw/zinc/03/46/80/371034680.db2.gz DWWLBAXEGKQTHM-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO C=C(C)C[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136675433 371481864 /nfs/dbraw/zinc/48/18/64/371481864.db2.gz HUGLBUNLERUELI-LBPRGKRZSA-N 1 2 296.296 3.079 20 30 CGEDLO N#CCC[N@@H+](Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000151630598 371620051 /nfs/dbraw/zinc/62/00/51/371620051.db2.gz CCVYDLQWAGXZPD-UHFFFAOYSA-N 1 2 273.311 3.093 20 30 CGEDLO N#CCC[N@H+](Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000151630598 371620055 /nfs/dbraw/zinc/62/00/55/371620055.db2.gz CCVYDLQWAGXZPD-UHFFFAOYSA-N 1 2 273.311 3.093 20 30 CGEDLO C=CC[C@@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287868546 371713051 /nfs/dbraw/zinc/71/30/51/371713051.db2.gz XTWHICSTOYWZIF-GXFFZTMASA-N 1 2 269.772 3.023 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153205984 371757214 /nfs/dbraw/zinc/75/72/14/371757214.db2.gz DYNNOTQQNGPWRB-SECBINFHSA-N 1 2 289.326 3.255 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153205984 371757226 /nfs/dbraw/zinc/75/72/26/371757226.db2.gz DYNNOTQQNGPWRB-SECBINFHSA-N 1 2 289.326 3.255 20 30 CGEDLO COc1cc[nH+]cc1CSc1cccc(C#N)c1 ZINC000344088757 217045830 /nfs/dbraw/zinc/04/58/30/217045830.db2.gz AEEDRGMATIJRSM-UHFFFAOYSA-N 1 2 256.330 3.254 20 30 CGEDLO C=CC[C@H](CC)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425287328 372119866 /nfs/dbraw/zinc/11/98/66/372119866.db2.gz IVOPCLWOARRFJS-JKSUJKDBSA-N 1 2 297.402 3.403 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1Cl ZINC000160818372 372280047 /nfs/dbraw/zinc/28/00/47/372280047.db2.gz PHGPJNBDCMVVSH-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1Cl ZINC000160818372 372280051 /nfs/dbraw/zinc/28/00/51/372280051.db2.gz PHGPJNBDCMVVSH-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO Cc1ccncc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428937433 372285006 /nfs/dbraw/zinc/28/50/06/372285006.db2.gz FLNMISODBDGNQS-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccncc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428937433 372285015 /nfs/dbraw/zinc/28/50/15/372285015.db2.gz FLNMISODBDGNQS-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C=CCCOCCNc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000432324413 372558234 /nfs/dbraw/zinc/55/82/34/372558234.db2.gz ICNMUVSPFGHMAS-UHFFFAOYSA-N 1 2 298.390 3.249 20 30 CGEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433300487 372585787 /nfs/dbraw/zinc/58/57/87/372585787.db2.gz DTZUPHLBRIOOHW-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433300487 372585789 /nfs/dbraw/zinc/58/57/89/372585789.db2.gz DTZUPHLBRIOOHW-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1C ZINC000433329377 372593730 /nfs/dbraw/zinc/59/37/30/372593730.db2.gz XXQJZGGJJJKHGV-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1C ZINC000433329377 372593739 /nfs/dbraw/zinc/59/37/39/372593739.db2.gz XXQJZGGJJJKHGV-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000437974225 372862198 /nfs/dbraw/zinc/86/21/98/372862198.db2.gz FVOVSLNVXMKCGE-MRXNPFEDSA-N 1 2 283.375 3.312 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000437974225 372862208 /nfs/dbraw/zinc/86/22/08/372862208.db2.gz FVOVSLNVXMKCGE-MRXNPFEDSA-N 1 2 283.375 3.312 20 30 CGEDLO C=C(C)CN1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441363551 373003621 /nfs/dbraw/zinc/00/36/21/373003621.db2.gz JREBHVKKVINSOG-MRXNPFEDSA-N 1 2 288.435 3.168 20 30 CGEDLO C=C(C)CN1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441363551 373003626 /nfs/dbraw/zinc/00/36/26/373003626.db2.gz JREBHVKKVINSOG-MRXNPFEDSA-N 1 2 288.435 3.168 20 30 CGEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000296405199 373121639 /nfs/dbraw/zinc/12/16/39/373121639.db2.gz WCQJILPHVHADGF-ZDUSSCGKSA-N 1 2 292.448 3.166 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173848943 373202584 /nfs/dbraw/zinc/20/25/84/373202584.db2.gz DRQCYTPUMVZLIE-UHFFFAOYSA-N 1 2 270.376 3.093 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000173848943 373202593 /nfs/dbraw/zinc/20/25/93/373202593.db2.gz DRQCYTPUMVZLIE-UHFFFAOYSA-N 1 2 270.376 3.093 20 30 CGEDLO CCC[C@H](C)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448270448 373559230 /nfs/dbraw/zinc/55/92/30/373559230.db2.gz FLHFYGHPZOCHHW-HRCADAONSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[C@H](C)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448270448 373559239 /nfs/dbraw/zinc/55/92/39/373559239.db2.gz FLHFYGHPZOCHHW-HRCADAONSA-N 1 2 264.413 3.350 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000177189390 373659923 /nfs/dbraw/zinc/65/99/23/373659923.db2.gz OJALMCCUJANVKT-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000177189390 373659926 /nfs/dbraw/zinc/65/99/26/373659926.db2.gz OJALMCCUJANVKT-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)c(OC)c1)C[C@H](C)C#N ZINC000450325754 374059441 /nfs/dbraw/zinc/05/94/41/374059441.db2.gz FQCOFJRJXXUSBV-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)c(OC)c1)C[C@H](C)C#N ZINC000450325754 374059448 /nfs/dbraw/zinc/05/94/48/374059448.db2.gz FQCOFJRJXXUSBV-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000450442061 374133218 /nfs/dbraw/zinc/13/32/18/374133218.db2.gz SFDDIGXIMWXDEM-DOTOQJQBSA-N 1 2 284.403 3.451 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000450442061 374133222 /nfs/dbraw/zinc/13/32/22/374133222.db2.gz SFDDIGXIMWXDEM-DOTOQJQBSA-N 1 2 284.403 3.451 20 30 CGEDLO CC(C)n1cc[nH+]c1CNc1ccccc1O[C@H](C)C#N ZINC000182570375 374291380 /nfs/dbraw/zinc/29/13/80/374291380.db2.gz MDHGOIKXCFFWFS-CYBMUJFWSA-N 1 2 284.363 3.367 20 30 CGEDLO C=CCC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC1 ZINC000182877863 374337180 /nfs/dbraw/zinc/33/71/80/374337180.db2.gz AXOSMDREOPKBCN-INIZCTEOSA-N 1 2 287.407 3.075 20 30 CGEDLO Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000328998369 374398286 /nfs/dbraw/zinc/39/82/86/374398286.db2.gz KLBQZBFIGARTQY-BFHYXJOUSA-N 1 2 273.380 3.107 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000334678837 374969004 /nfs/dbraw/zinc/96/90/04/374969004.db2.gz IFQGXRZFYITPHN-GFCCVEGCSA-N 1 2 292.260 3.346 20 30 CGEDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187067721 374966367 /nfs/dbraw/zinc/96/63/67/374966367.db2.gz HDHHLRKPJRPGMC-SNVBAGLBSA-N 1 2 266.797 3.149 20 30 CGEDLO C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187067721 374966374 /nfs/dbraw/zinc/96/63/74/374966374.db2.gz HDHHLRKPJRPGMC-SNVBAGLBSA-N 1 2 266.797 3.149 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccs1 ZINC000187698058 375075830 /nfs/dbraw/zinc/07/58/30/375075830.db2.gz RFXGUZCOOMASIU-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccs1 ZINC000187698058 375075838 /nfs/dbraw/zinc/07/58/38/375075838.db2.gz RFXGUZCOOMASIU-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335247756 375256994 /nfs/dbraw/zinc/25/69/94/375256994.db2.gz HZQMMWBXFFJIFP-ROUUACIJSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335247756 375257001 /nfs/dbraw/zinc/25/70/01/375257001.db2.gz HZQMMWBXFFJIFP-ROUUACIJSA-N 1 2 296.345 3.005 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(CCC(C)C)n1 ZINC000191118491 375580458 /nfs/dbraw/zinc/58/04/58/375580458.db2.gz LIOZZIHDAUDDLU-UHFFFAOYSA-N 1 2 282.453 3.366 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(CCC(C)C)n1 ZINC000191118491 375580465 /nfs/dbraw/zinc/58/04/65/375580465.db2.gz LIOZZIHDAUDDLU-UHFFFAOYSA-N 1 2 282.453 3.366 20 30 CGEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000336011419 375615955 /nfs/dbraw/zinc/61/59/55/375615955.db2.gz CJITZXIZIYRROE-CQSZACIVSA-N 1 2 269.373 3.134 20 30 CGEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000336011419 375615962 /nfs/dbraw/zinc/61/59/62/375615962.db2.gz CJITZXIZIYRROE-CQSZACIVSA-N 1 2 269.373 3.134 20 30 CGEDLO CCN(C)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000191325765 375611342 /nfs/dbraw/zinc/61/13/42/375611342.db2.gz YZFHIMQPVHBTOG-UHFFFAOYSA-N 1 2 288.439 3.299 20 30 CGEDLO CCN(C)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000191325765 375611350 /nfs/dbraw/zinc/61/13/50/375611350.db2.gz YZFHIMQPVHBTOG-UHFFFAOYSA-N 1 2 288.439 3.299 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193149535 375834299 /nfs/dbraw/zinc/83/42/99/375834299.db2.gz RPIAVHPBLGUZIY-UHFFFAOYSA-N 1 2 286.202 3.376 20 30 CGEDLO C[C@@H]([NH2+]CCC#N)c1cc(F)c(Br)cc1F ZINC000528638006 375907168 /nfs/dbraw/zinc/90/71/68/375907168.db2.gz YKOQXZTYRWPGHA-SSDOTTSWSA-N 1 2 289.123 3.292 20 30 CGEDLO CC(C)[N@H+](CCC#N)CC1=Cc2ccccc2OC1 ZINC000536646045 376107512 /nfs/dbraw/zinc/10/75/12/376107512.db2.gz QCKIACOXVOPESS-UHFFFAOYSA-N 1 2 256.349 3.086 20 30 CGEDLO CC(C)[N@@H+](CCC#N)CC1=Cc2ccccc2OC1 ZINC000536646045 376107520 /nfs/dbraw/zinc/10/75/20/376107520.db2.gz QCKIACOXVOPESS-UHFFFAOYSA-N 1 2 256.349 3.086 20 30 CGEDLO Cc1nc(C)c(C#N)c(SCc2[nH+]ccn2C(C)C)n1 ZINC000195517363 376109419 /nfs/dbraw/zinc/10/94/19/376109419.db2.gz NTNVTYQDXISHCN-UHFFFAOYSA-N 1 2 287.392 3.035 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C[C@H](C)C#N ZINC000535787352 376060379 /nfs/dbraw/zinc/06/03/79/376060379.db2.gz XYVNIIXUPPRCOZ-CHWSQXEVSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C[C@H](C)C#N ZINC000535787352 376060382 /nfs/dbraw/zinc/06/03/82/376060382.db2.gz XYVNIIXUPPRCOZ-CHWSQXEVSA-N 1 2 288.391 3.000 20 30 CGEDLO CC1(C)CCC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1C#N ZINC000337247877 376162024 /nfs/dbraw/zinc/16/20/24/376162024.db2.gz PGKQISKTEAKNDJ-HNNXBMFYSA-N 1 2 289.423 3.101 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C#N ZINC000337247877 376162027 /nfs/dbraw/zinc/16/20/27/376162027.db2.gz PGKQISKTEAKNDJ-HNNXBMFYSA-N 1 2 289.423 3.101 20 30 CGEDLO CC1(C)CCC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1C#N ZINC000337247878 376162182 /nfs/dbraw/zinc/16/21/82/376162182.db2.gz PGKQISKTEAKNDJ-OAHLLOKOSA-N 1 2 289.423 3.101 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C#N ZINC000337247878 376162186 /nfs/dbraw/zinc/16/21/86/376162186.db2.gz PGKQISKTEAKNDJ-OAHLLOKOSA-N 1 2 289.423 3.101 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000220906295 376211194 /nfs/dbraw/zinc/21/11/94/376211194.db2.gz LNWCKLFHUUENDC-NEPJUHHUSA-N 1 2 255.321 3.267 20 30 CGEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000338639217 376458518 /nfs/dbraw/zinc/45/85/18/376458518.db2.gz OVSGWIPDKKBKAK-UHFFFAOYSA-N 1 2 280.306 3.228 20 30 CGEDLO COC[C@H](C#N)[NH2+][C@H](CC1CCCCC1)C(C)(C)C ZINC000544045699 376697463 /nfs/dbraw/zinc/69/74/63/376697463.db2.gz RTQQSTCHHWMBCR-LSDHHAIUSA-N 1 2 266.429 3.500 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ncc(C#N)cc3Cl)cn2c1 ZINC000339138956 376705416 /nfs/dbraw/zinc/70/54/16/376705416.db2.gz SCQIJPQXSSXZCQ-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000339819159 376859438 /nfs/dbraw/zinc/85/94/38/376859438.db2.gz GANIDUWNBFLSFA-HNNXBMFYSA-N 1 2 294.402 3.055 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000339819159 376859442 /nfs/dbraw/zinc/85/94/42/376859442.db2.gz GANIDUWNBFLSFA-HNNXBMFYSA-N 1 2 294.402 3.055 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1F ZINC000340763446 377247803 /nfs/dbraw/zinc/24/78/03/377247803.db2.gz KTBKFGGBJRHUBI-KRWDZBQOSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1F ZINC000340763446 377247811 /nfs/dbraw/zinc/24/78/11/377247811.db2.gz KTBKFGGBJRHUBI-KRWDZBQOSA-N 1 2 296.345 3.271 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000568879747 377523730 /nfs/dbraw/zinc/52/37/30/377523730.db2.gz LFFRBTUCYRPIFS-DZGCQCFKSA-N 1 2 287.407 3.420 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1OC1CCC1 ZINC000570882352 377539111 /nfs/dbraw/zinc/53/91/11/377539111.db2.gz ALFBPYBOHRWTCJ-AWEZNQCLSA-N 1 2 283.375 3.151 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000573043732 377552364 /nfs/dbraw/zinc/55/23/64/377552364.db2.gz ZOCFFTLWLAINTR-KRWDZBQOSA-N 1 2 296.374 3.470 20 30 CGEDLO C[N@H+](Cc1cc(Br)cs1)CC(C)(C)C#N ZINC000258946278 377802836 /nfs/dbraw/zinc/80/28/36/377802836.db2.gz QYDLEBNIOLIQJQ-UHFFFAOYSA-N 1 2 287.226 3.492 20 30 CGEDLO C[N@@H+](Cc1cc(Br)cs1)CC(C)(C)C#N ZINC000258946278 377802840 /nfs/dbraw/zinc/80/28/40/377802840.db2.gz QYDLEBNIOLIQJQ-UHFFFAOYSA-N 1 2 287.226 3.492 20 30 CGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343317173 377952199 /nfs/dbraw/zinc/95/21/99/377952199.db2.gz CSBNBVDSTFCANJ-INIZCTEOSA-N 1 2 294.402 3.497 20 30 CGEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343317173 377952200 /nfs/dbraw/zinc/95/22/00/377952200.db2.gz CSBNBVDSTFCANJ-INIZCTEOSA-N 1 2 294.402 3.497 20 30 CGEDLO CCOc1cc(C#N)ccc1OCc1cc(OC)cc(C)[nH+]1 ZINC000270138832 378311966 /nfs/dbraw/zinc/31/19/66/378311966.db2.gz OOIIYWFRZCEXLN-UHFFFAOYSA-N 1 2 298.342 3.248 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000582433972 378314014 /nfs/dbraw/zinc/31/40/14/378314014.db2.gz AYTNWJGNNADVAK-AWEZNQCLSA-N 1 2 283.375 3.370 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000582433972 378314017 /nfs/dbraw/zinc/31/40/17/378314017.db2.gz AYTNWJGNNADVAK-AWEZNQCLSA-N 1 2 283.375 3.370 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)ccc1OC(F)F ZINC000583296110 378319020 /nfs/dbraw/zinc/31/90/20/378319020.db2.gz PUFNNWWTBIWWDL-GFCCVEGCSA-N 1 2 268.307 3.378 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000271171421 378470064 /nfs/dbraw/zinc/47/00/64/378470064.db2.gz AGYOGAYWYZSDCQ-VJXRCLRWSA-N 1 2 277.364 3.167 20 30 CGEDLO N#CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000273094200 378736452 /nfs/dbraw/zinc/73/64/52/378736452.db2.gz TZNFUBVIFNPQHM-UHFFFAOYSA-N 1 2 259.136 3.092 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000348053117 378768468 /nfs/dbraw/zinc/76/84/68/378768468.db2.gz ZVUXTCGYSDYCON-JTQLQIEISA-N 1 2 263.410 3.395 20 30 CGEDLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000277310237 379126296 /nfs/dbraw/zinc/12/62/96/379126296.db2.gz CUVXJHFRYJBVAW-ZDUSSCGKSA-N 1 2 293.374 3.122 20 30 CGEDLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000277310237 379126312 /nfs/dbraw/zinc/12/63/12/379126312.db2.gz CUVXJHFRYJBVAW-ZDUSSCGKSA-N 1 2 293.374 3.122 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(C#N)cc1F ZINC000349843711 379418673 /nfs/dbraw/zinc/41/86/73/379418673.db2.gz XUMFDKYTAOYUAL-ZJUUUORDSA-N 1 2 259.284 3.097 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350022429 379480915 /nfs/dbraw/zinc/48/09/15/379480915.db2.gz XSBUAVMFHMTKEG-DLRQAJBASA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350022429 379480916 /nfs/dbraw/zinc/48/09/16/379480916.db2.gz XSBUAVMFHMTKEG-DLRQAJBASA-N 1 2 250.292 3.069 20 30 CGEDLO C=C(C)C[N@H+](Cc1cn[nH]c1C)Cc1ccccc1 ZINC000279663112 379483994 /nfs/dbraw/zinc/48/39/94/379483994.db2.gz MCQVHGJQSLEJQL-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cn[nH]c1C)Cc1ccccc1 ZINC000279663112 379483996 /nfs/dbraw/zinc/48/39/96/379483996.db2.gz MCQVHGJQSLEJQL-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO C=CC[C@H](CC)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000281335444 379829975 /nfs/dbraw/zinc/82/99/75/379829975.db2.gz LPFJRHUOXDBGKK-QWHCGFSZSA-N 1 2 276.384 3.001 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)no1 ZINC000352901423 380027444 /nfs/dbraw/zinc/02/74/44/380027444.db2.gz KMIBYKQLCRUINH-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)no1 ZINC000352901423 380027449 /nfs/dbraw/zinc/02/74/49/380027449.db2.gz KMIBYKQLCRUINH-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO CCOC(=O)C[N@H+](CCC1(C#N)CCCCC1)C(C)C ZINC000411216202 380136466 /nfs/dbraw/zinc/13/64/66/380136466.db2.gz TWQLAESUNPPMLA-UHFFFAOYSA-N 1 2 280.412 3.124 20 30 CGEDLO CCOC(=O)C[N@@H+](CCC1(C#N)CCCCC1)C(C)C ZINC000411216202 380136473 /nfs/dbraw/zinc/13/64/73/380136473.db2.gz TWQLAESUNPPMLA-UHFFFAOYSA-N 1 2 280.412 3.124 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@H+](C)[C@H](C)CCC#N)cs1 ZINC000411287104 380138837 /nfs/dbraw/zinc/13/88/37/380138837.db2.gz AITXHOORKQUGCO-NEPJUHHUSA-N 1 2 281.425 3.365 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)[C@H](C)CCC#N)cs1 ZINC000411287104 380138842 /nfs/dbraw/zinc/13/88/42/380138842.db2.gz AITXHOORKQUGCO-NEPJUHHUSA-N 1 2 281.425 3.365 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1c(F)cncc1F ZINC000353114923 380121475 /nfs/dbraw/zinc/12/14/75/380121475.db2.gz CXLNOBJMTRMMAF-MRVPVSSYSA-N 1 2 279.315 3.144 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000411162210 380131047 /nfs/dbraw/zinc/13/10/47/380131047.db2.gz GNIUQUGYHADLMU-ZDUSSCGKSA-N 1 2 290.432 3.410 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C(=O)OC)C1CC1 ZINC000411142560 380132204 /nfs/dbraw/zinc/13/22/04/380132204.db2.gz XICZOWQJCHNJAW-ZDUSSCGKSA-N 1 2 299.823 3.341 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C(=O)OC)C1CC1 ZINC000411142560 380132207 /nfs/dbraw/zinc/13/22/07/380132207.db2.gz XICZOWQJCHNJAW-ZDUSSCGKSA-N 1 2 299.823 3.341 20 30 CGEDLO C[C@@H](C#N)CN(Cc1c[nH+]c2ccc(Cl)cn12)C1CC1 ZINC000354044287 380297999 /nfs/dbraw/zinc/29/79/99/380297999.db2.gz HRDAOGPTACQXCZ-NSHDSACASA-N 1 2 288.782 3.112 20 30 CGEDLO C=C1CC[NH+](Cc2nc3ccc(OC)cc3s2)CC1 ZINC000355732986 380761942 /nfs/dbraw/zinc/76/19/42/380761942.db2.gz RSVKRHJDAXIBPB-UHFFFAOYSA-N 1 2 274.389 3.457 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000356057656 380788756 /nfs/dbraw/zinc/78/87/56/380788756.db2.gz DYXNFFLXKUHFMD-CYBMUJFWSA-N 1 2 298.308 3.188 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000356057656 380788759 /nfs/dbraw/zinc/78/87/59/380788759.db2.gz DYXNFFLXKUHFMD-CYBMUJFWSA-N 1 2 298.308 3.188 20 30 CGEDLO C=CCOCCSCc1cn2c(cccc2C)[nH+]1 ZINC000419447896 380829465 /nfs/dbraw/zinc/82/94/65/380829465.db2.gz BLYYHXHSJFRBEA-UHFFFAOYSA-N 1 2 262.378 3.079 20 30 CGEDLO C=CCOCCCOc1cc[nH+]c2cc(OC)ccc21 ZINC000358580115 381317276 /nfs/dbraw/zinc/31/72/76/381317276.db2.gz NETKKGMZLCIIMY-UHFFFAOYSA-N 1 2 273.332 3.215 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)C(C)C)cc1)C1CC1 ZINC000359591301 381354993 /nfs/dbraw/zinc/35/49/93/381354993.db2.gz VPSPHPRZYJKLLR-UHFFFAOYSA-N 1 2 293.432 3.019 20 30 CGEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)C(C)C)cc1)C1CC1 ZINC000359591301 381355000 /nfs/dbraw/zinc/35/50/00/381355000.db2.gz VPSPHPRZYJKLLR-UHFFFAOYSA-N 1 2 293.432 3.019 20 30 CGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000359867184 381379227 /nfs/dbraw/zinc/37/92/27/381379227.db2.gz GYPYEXXNGNWRDX-GWCFXTLKSA-N 1 2 281.197 3.373 20 30 CGEDLO C=C(Br)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000359867184 381379234 /nfs/dbraw/zinc/37/92/34/381379234.db2.gz GYPYEXXNGNWRDX-GWCFXTLKSA-N 1 2 281.197 3.373 20 30 CGEDLO CC[N@@H+](CCC#N)CCSc1ccc(F)cc1 ZINC000362173353 381897416 /nfs/dbraw/zinc/89/74/16/381897416.db2.gz MLYYWXVFSCAHDC-UHFFFAOYSA-N 1 2 252.358 3.153 20 30 CGEDLO CC[N@H+](CCC#N)CCSc1ccc(F)cc1 ZINC000362173353 381897420 /nfs/dbraw/zinc/89/74/20/381897420.db2.gz MLYYWXVFSCAHDC-UHFFFAOYSA-N 1 2 252.358 3.153 20 30 CGEDLO C[C@H]1SCC[N@H+](Cc2cccc(F)c2C#N)[C@@H]1C ZINC000362300114 381934897 /nfs/dbraw/zinc/93/48/97/381934897.db2.gz SLJMAQKEKCTBIE-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H]1SCC[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1C ZINC000362300114 381934903 /nfs/dbraw/zinc/93/49/03/381934903.db2.gz SLJMAQKEKCTBIE-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(Br)n1C ZINC001248775850 804989866 /nfs/dbraw/zinc/98/98/66/804989866.db2.gz WSRFJGQIZYWJHU-UHFFFAOYSA-N 1 2 298.228 3.303 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Br)n1C ZINC001248775850 804989873 /nfs/dbraw/zinc/98/98/73/804989873.db2.gz WSRFJGQIZYWJHU-UHFFFAOYSA-N 1 2 298.228 3.303 20 30 CGEDLO COc1ccc([C@@H](C)[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356080540 533101424 /nfs/dbraw/zinc/10/14/24/533101424.db2.gz DBSHODYHDPCMDJ-LLVKDONJSA-N 1 2 287.388 3.216 20 30 CGEDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356080540 533101431 /nfs/dbraw/zinc/10/14/31/533101431.db2.gz DBSHODYHDPCMDJ-LLVKDONJSA-N 1 2 287.388 3.216 20 30 CGEDLO CC[N@H+](Cc1cn(C(C)C)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289147452 197246363 /nfs/dbraw/zinc/24/63/63/197246363.db2.gz PYVKJWSOFOQBBI-AWEZNQCLSA-N 1 2 297.406 3.314 20 30 CGEDLO CC[N@@H+](Cc1cn(C(C)C)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289147452 197246365 /nfs/dbraw/zinc/24/63/65/197246365.db2.gz PYVKJWSOFOQBBI-AWEZNQCLSA-N 1 2 297.406 3.314 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1 ZINC000179650281 260061017 /nfs/dbraw/zinc/06/10/17/260061017.db2.gz SJNRGTHEKFYZPF-UHFFFAOYSA-N 1 2 285.366 3.239 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1 ZINC000179650281 260061019 /nfs/dbraw/zinc/06/10/19/260061019.db2.gz SJNRGTHEKFYZPF-UHFFFAOYSA-N 1 2 285.366 3.239 20 30 CGEDLO C[C@@H]([NH2+]Cc1nccs1)c1ccc(C#N)cc1F ZINC000358553404 533473143 /nfs/dbraw/zinc/47/31/43/533473143.db2.gz IHLDSUBVPSUUHD-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO CCCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090919 392233908 /nfs/dbraw/zinc/23/39/08/392233908.db2.gz CSKLXYJMAJEMDI-CYBMUJFWSA-N 1 2 276.380 3.218 20 30 CGEDLO CCCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090919 392233913 /nfs/dbraw/zinc/23/39/13/392233913.db2.gz CSKLXYJMAJEMDI-CYBMUJFWSA-N 1 2 276.380 3.218 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000289812232 392432886 /nfs/dbraw/zinc/43/28/86/392432886.db2.gz NPSFGFJWTMPXDR-INIZCTEOSA-N 1 2 281.359 3.087 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000289812232 392432894 /nfs/dbraw/zinc/43/28/94/392432894.db2.gz NPSFGFJWTMPXDR-INIZCTEOSA-N 1 2 281.359 3.087 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@H]2CC=CCC2)CCC[C@]12CCCCO2 ZINC000366151291 392451045 /nfs/dbraw/zinc/45/10/45/392451045.db2.gz JEWZKBASPFQLRW-YESZJQIVSA-N 1 2 274.408 3.270 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@H]2CC=CCC2)CCC[C@]12CCCCO2 ZINC000366151291 392451048 /nfs/dbraw/zinc/45/10/48/392451048.db2.gz JEWZKBASPFQLRW-YESZJQIVSA-N 1 2 274.408 3.270 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C2(C#N)CCCC2)c1 ZINC000154150289 392533887 /nfs/dbraw/zinc/53/38/87/392533887.db2.gz MPNFMNIQLVPNDK-UHFFFAOYSA-N 1 2 294.358 3.110 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000136419325 392477578 /nfs/dbraw/zinc/47/75/78/392477578.db2.gz SBMXUVQHMKXYDL-SNVBAGLBSA-N 1 2 264.756 3.009 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000136419325 392477581 /nfs/dbraw/zinc/47/75/81/392477581.db2.gz SBMXUVQHMKXYDL-SNVBAGLBSA-N 1 2 264.756 3.009 20 30 CGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329424478 392680756 /nfs/dbraw/zinc/68/07/56/392680756.db2.gz FNKUBWMXXRWPRK-CYBMUJFWSA-N 1 2 296.374 3.008 20 30 CGEDLO COc1c(Br)cccc1C[N@H+](C)[C@H](C)CC#N ZINC000172924944 392622304 /nfs/dbraw/zinc/62/23/04/392622304.db2.gz KTFYKSHDTOOWRV-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO COc1c(Br)cccc1C[N@@H+](C)[C@H](C)CC#N ZINC000172924944 392622308 /nfs/dbraw/zinc/62/23/08/392622308.db2.gz KTFYKSHDTOOWRV-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000173874800 392630680 /nfs/dbraw/zinc/63/06/80/392630680.db2.gz BQOYCKFJYTZOCX-ZDUSSCGKSA-N 1 2 296.374 3.342 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335599941 392802093 /nfs/dbraw/zinc/80/20/93/392802093.db2.gz YPBJJJONIWKRMY-WCBMZHEXSA-N 1 2 255.243 3.205 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000339006409 392939693 /nfs/dbraw/zinc/93/96/93/392939693.db2.gz JEJXPPMIGFFXEK-YRGRVCCFSA-N 1 2 293.436 3.365 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000339006409 392939698 /nfs/dbraw/zinc/93/96/98/392939698.db2.gz JEJXPPMIGFFXEK-YRGRVCCFSA-N 1 2 293.436 3.365 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000527620240 392956849 /nfs/dbraw/zinc/95/68/49/392956849.db2.gz ZVLPNNPGPBCPPF-UHFFFAOYSA-N 1 2 298.415 3.091 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000527620240 392956851 /nfs/dbraw/zinc/95/68/51/392956851.db2.gz ZVLPNNPGPBCPPF-UHFFFAOYSA-N 1 2 298.415 3.091 20 30 CGEDLO Cc1cc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(C#N)c[nH+]1 ZINC000528104992 392964314 /nfs/dbraw/zinc/96/43/14/392964314.db2.gz QCGDFZJWHZDWES-USXIJHARSA-N 1 2 295.773 3.087 20 30 CGEDLO CCOC(=O)[C@@H](C)[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411622979 392982255 /nfs/dbraw/zinc/98/22/55/392982255.db2.gz VGUULJVKURWYSC-CQSZACIVSA-N 1 2 292.423 3.267 20 30 CGEDLO CCOC(=O)[C@@H](C)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411622979 392982259 /nfs/dbraw/zinc/98/22/59/392982259.db2.gz VGUULJVKURWYSC-CQSZACIVSA-N 1 2 292.423 3.267 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000411693324 392984730 /nfs/dbraw/zinc/98/47/30/392984730.db2.gz MFMHITYCHMVHMS-IUODEOHRSA-N 1 2 264.319 3.388 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000411693324 392984734 /nfs/dbraw/zinc/98/47/34/392984734.db2.gz MFMHITYCHMVHMS-IUODEOHRSA-N 1 2 264.319 3.388 20 30 CGEDLO C=C(C)COCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413204895 393020188 /nfs/dbraw/zinc/02/01/88/393020188.db2.gz QKVBYLDLIHJNCR-UHFFFAOYSA-N 1 2 287.319 3.148 20 30 CGEDLO C=CCCC1(c2nc(Cc3ccc(C)[nH+]c3)no2)CC1 ZINC000346129794 393076134 /nfs/dbraw/zinc/07/61/34/393076134.db2.gz HMQOSZWKCYYLQY-UHFFFAOYSA-N 1 2 269.348 3.362 20 30 CGEDLO C=CCC[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834510 393132664 /nfs/dbraw/zinc/13/26/64/393132664.db2.gz QMAMDKGBZDRICG-ZDUSSCGKSA-N 1 2 256.353 3.093 20 30 CGEDLO N#Cc1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000267290395 393187895 /nfs/dbraw/zinc/18/78/95/393187895.db2.gz RHKVXQDNBCVYNN-LBPRGKRZSA-N 1 2 287.754 3.061 20 30 CGEDLO CC(C)CCOC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356059651 393355225 /nfs/dbraw/zinc/35/52/25/393355225.db2.gz QFUTYDXRGLLGSZ-UHFFFAOYSA-N 1 2 293.436 3.042 20 30 CGEDLO CCc1ccc(C[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356063057 393355564 /nfs/dbraw/zinc/35/55/64/393355564.db2.gz LSAGQQCXDZROGB-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1ccc(C[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356063057 393355570 /nfs/dbraw/zinc/35/55/70/393355570.db2.gz LSAGQQCXDZROGB-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO C=CC[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(OC)cc1 ZINC000649492059 393452337 /nfs/dbraw/zinc/45/23/37/393452337.db2.gz KBLFWWFIYLFVCM-UHFFFAOYSA-N 1 2 297.402 3.026 20 30 CGEDLO C=CC[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc(OC)cc1 ZINC000649492059 393452345 /nfs/dbraw/zinc/45/23/45/393452345.db2.gz KBLFWWFIYLFVCM-UHFFFAOYSA-N 1 2 297.402 3.026 20 30 CGEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000614185044 542776729 /nfs/dbraw/zinc/77/67/29/542776729.db2.gz IMQNMJBEFRGLSP-NSHDSACASA-N 1 2 284.363 3.030 20 30 CGEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000361072642 393666135 /nfs/dbraw/zinc/66/61/35/393666135.db2.gz JBAHEQCKNRXYAA-CYBMUJFWSA-N 1 2 291.354 3.074 20 30 CGEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000361072642 393666139 /nfs/dbraw/zinc/66/61/39/393666139.db2.gz JBAHEQCKNRXYAA-CYBMUJFWSA-N 1 2 291.354 3.074 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000735309085 572714396 /nfs/dbraw/zinc/71/43/96/572714396.db2.gz FOVQDILOEWIJAZ-LLVKDONJSA-N 1 2 296.823 3.180 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000735309085 572714401 /nfs/dbraw/zinc/71/44/01/572714401.db2.gz FOVQDILOEWIJAZ-LLVKDONJSA-N 1 2 296.823 3.180 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000677477584 543450695 /nfs/dbraw/zinc/45/06/95/543450695.db2.gz MZFGJINLHMRMAL-ZDUSSCGKSA-N 1 2 290.432 3.081 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000677477584 543450698 /nfs/dbraw/zinc/45/06/98/543450698.db2.gz MZFGJINLHMRMAL-ZDUSSCGKSA-N 1 2 290.432 3.081 20 30 CGEDLO N#Cc1ccc(NCCCCNc2cccc[nH+]2)c(F)c1 ZINC000078615883 165135961 /nfs/dbraw/zinc/13/59/61/165135961.db2.gz AFRNEMZBEBNORD-UHFFFAOYSA-N 1 2 284.338 3.397 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3ccc(F)c(C#N)c3)cn21 ZINC000083139570 165170414 /nfs/dbraw/zinc/17/04/14/165170414.db2.gz ZDLPIKOUMHYDNX-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)n1 ZINC000092696005 165305042 /nfs/dbraw/zinc/30/50/42/165305042.db2.gz LKCMKXHMZVKPJK-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2F)n1 ZINC000092696005 165305045 /nfs/dbraw/zinc/30/50/45/165305045.db2.gz LKCMKXHMZVKPJK-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C#CCCCCNc1cc[nH+]c2c(OC)cccc12 ZINC000302563351 416526403 /nfs/dbraw/zinc/52/64/03/416526403.db2.gz VIFNLJNAUAZVCI-UHFFFAOYSA-N 1 2 254.333 3.459 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000575174491 335075453 /nfs/dbraw/zinc/07/54/53/335075453.db2.gz GSOHYELICHGZHH-CRAIPNDOSA-N 1 2 290.370 3.204 20 30 CGEDLO C=CCCC(C)(C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000665063705 419047690 /nfs/dbraw/zinc/04/76/90/419047690.db2.gz PPPODOBKNJQYCY-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C=CCOCC[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708198 419185030 /nfs/dbraw/zinc/18/50/30/419185030.db2.gz NKLCTXDLKPXNRC-LLVKDONJSA-N 1 2 293.798 3.412 20 30 CGEDLO C=CCOCC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708198 419185033 /nfs/dbraw/zinc/18/50/33/419185033.db2.gz NKLCTXDLKPXNRC-LLVKDONJSA-N 1 2 293.798 3.412 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(C(CC)CC)n1)[C@@H](C)COC ZINC000661243051 419244011 /nfs/dbraw/zinc/24/40/11/419244011.db2.gz XEAGJMOWXAHTNU-AWEZNQCLSA-N 1 2 279.428 3.267 20 30 CGEDLO C=CC[N@H+](Cc1ccn(C(CC)CC)n1)[C@@H](C)COC ZINC000661243051 419244012 /nfs/dbraw/zinc/24/40/12/419244012.db2.gz XEAGJMOWXAHTNU-AWEZNQCLSA-N 1 2 279.428 3.267 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCCC#N ZINC000336050248 228182763 /nfs/dbraw/zinc/18/27/63/228182763.db2.gz TUIADSNGQPUJOM-SNVBAGLBSA-N 1 2 250.292 3.188 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCC#N ZINC000336050248 228182764 /nfs/dbraw/zinc/18/27/64/228182764.db2.gz TUIADSNGQPUJOM-SNVBAGLBSA-N 1 2 250.292 3.188 20 30 CGEDLO C=CC[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000664252981 419866634 /nfs/dbraw/zinc/86/66/34/419866634.db2.gz GUKXTMVTFABCTH-LBPRGKRZSA-N 1 2 268.364 3.005 20 30 CGEDLO C=CC[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000664252691 419867015 /nfs/dbraw/zinc/86/70/15/419867015.db2.gz BIIFHFXQYIQYAC-ZDUSSCGKSA-N 1 2 253.349 3.422 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000046600177 260193436 /nfs/dbraw/zinc/19/34/36/260193436.db2.gz LHMYENOJYWXYFO-UHFFFAOYSA-N 1 2 279.181 3.327 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000046600177 260193438 /nfs/dbraw/zinc/19/34/38/260193438.db2.gz LHMYENOJYWXYFO-UHFFFAOYSA-N 1 2 279.181 3.327 20 30 CGEDLO Cc1ccc(-c2cc(C[N@@H+](C)[C@H](C)CC#N)on2)cc1 ZINC000161913618 261263852 /nfs/dbraw/zinc/26/38/52/261263852.db2.gz LVGIAODMUGWCRB-CYBMUJFWSA-N 1 2 269.348 3.384 20 30 CGEDLO Cc1ccc(-c2cc(C[N@H+](C)[C@H](C)CC#N)on2)cc1 ZINC000161913618 261263854 /nfs/dbraw/zinc/26/38/54/261263854.db2.gz LVGIAODMUGWCRB-CYBMUJFWSA-N 1 2 269.348 3.384 20 30 CGEDLO Cc1nc(N[C@@H](CCC#N)c2ccccc2)cc[nH+]1 ZINC000164346637 261349041 /nfs/dbraw/zinc/34/90/41/261349041.db2.gz WYRDHRVPZJSZIA-AWEZNQCLSA-N 1 2 252.321 3.242 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000227354352 262388726 /nfs/dbraw/zinc/38/87/26/262388726.db2.gz SKOTXOXEAHQYFW-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO CC(C)N(C(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272488981 263005278 /nfs/dbraw/zinc/00/52/78/263005278.db2.gz BXNYODXJOFVXRV-UHFFFAOYSA-N 1 2 299.418 3.054 20 30 CGEDLO CCCc1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000272525780 263005799 /nfs/dbraw/zinc/00/57/99/263005799.db2.gz HYAGNBIYOOEOCZ-UHFFFAOYSA-N 1 2 263.410 3.221 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000273314192 263015144 /nfs/dbraw/zinc/01/51/44/263015144.db2.gz CTMDQETYNRTFHN-JHBBZFSESA-N 1 2 277.364 3.025 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C/C(=O)c2cncs2)c[nH+]1 ZINC000276603832 263037501 /nfs/dbraw/zinc/03/75/01/263037501.db2.gz IKJYVPNRGUDBAH-GQCTYLIASA-N 1 2 287.388 3.279 20 30 CGEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](c2ccsc2)O1 ZINC000278569737 263049251 /nfs/dbraw/zinc/04/92/51/263049251.db2.gz JCIOFWDJZMBHFY-AYRXBEOTSA-N 1 2 276.405 3.202 20 30 CGEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](c2ccsc2)O1 ZINC000278569737 263049252 /nfs/dbraw/zinc/04/92/52/263049252.db2.gz JCIOFWDJZMBHFY-AYRXBEOTSA-N 1 2 276.405 3.202 20 30 CGEDLO CCCCCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000285248765 263091575 /nfs/dbraw/zinc/09/15/75/263091575.db2.gz PVWWQLYSOVTOIT-HNNXBMFYSA-N 1 2 287.411 3.239 20 30 CGEDLO CC[C@H]([NH2+]CCCC#N)c1cccc(Cl)c1O ZINC000287628727 263102341 /nfs/dbraw/zinc/10/23/41/263102341.db2.gz KFLFTNUPXOIVQJ-LBPRGKRZSA-N 1 2 252.745 3.390 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000292208674 263129476 /nfs/dbraw/zinc/12/94/76/263129476.db2.gz OFVCROYCPXPGJF-UHFFFAOYSA-N 1 2 291.782 3.070 20 30 CGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000292208674 263129477 /nfs/dbraw/zinc/12/94/77/263129477.db2.gz OFVCROYCPXPGJF-UHFFFAOYSA-N 1 2 291.782 3.070 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829440 263135435 /nfs/dbraw/zinc/13/54/35/263135435.db2.gz OQCYQIWXXQKTIF-MNOVXSKESA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829440 263135436 /nfs/dbraw/zinc/13/54/36/263135436.db2.gz OQCYQIWXXQKTIF-MNOVXSKESA-N 1 2 262.303 3.015 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ncc(CSC)s1 ZINC000294893360 263168930 /nfs/dbraw/zinc/16/89/30/263168930.db2.gz LWFMPARLZOLSSP-UHFFFAOYSA-N 1 2 254.424 3.180 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000298275615 263216919 /nfs/dbraw/zinc/21/69/19/263216919.db2.gz ACYDXMBFGDCORQ-VXGBXAGGSA-N 1 2 293.317 3.382 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000299357343 263240400 /nfs/dbraw/zinc/24/04/00/263240400.db2.gz TYKYGRBVGCLKPN-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000299357343 263240402 /nfs/dbraw/zinc/24/04/02/263240402.db2.gz TYKYGRBVGCLKPN-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO Cc1cc(NCC(C)(C)CCC#N)nc(-c2cccnc2)[nH+]1 ZINC000340946050 263313312 /nfs/dbraw/zinc/31/33/12/263313312.db2.gz YZSGHBBHMBAWPQ-UHFFFAOYSA-N 1 2 295.390 3.011 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccc(CC#N)cc3)cn2c1 ZINC000341145467 263324365 /nfs/dbraw/zinc/32/43/65/263324365.db2.gz JUHRPPMRCDKXAD-UHFFFAOYSA-N 1 2 276.343 3.321 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000341990687 263382107 /nfs/dbraw/zinc/38/21/07/263382107.db2.gz MDXGUUGVULIRLT-UHFFFAOYSA-N 1 2 284.812 3.154 20 30 CGEDLO CCN(C[C@@H]1CCCO1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331339223 264194401 /nfs/dbraw/zinc/19/44/01/264194401.db2.gz RRXSRFHUZZIMGR-AWEZNQCLSA-N 1 2 291.395 3.053 20 30 CGEDLO Cc1cc(C)c(NC(=O)N[C@H](CO)CC(C)(C)C)c(C)[nH+]1 ZINC000331293009 264197840 /nfs/dbraw/zinc/19/78/40/264197840.db2.gz BUSNTUVXWZJSOT-ZDUSSCGKSA-N 1 2 293.411 3.130 20 30 CGEDLO C=CCCC[N@@H+](C)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000076734235 264344051 /nfs/dbraw/zinc/34/40/51/264344051.db2.gz FEZOBQIGCVDIFM-UHFFFAOYSA-N 1 2 290.407 3.169 20 30 CGEDLO C=CCCC[N@H+](C)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000076734235 264344052 /nfs/dbraw/zinc/34/40/52/264344052.db2.gz FEZOBQIGCVDIFM-UHFFFAOYSA-N 1 2 290.407 3.169 20 30 CGEDLO C[N@H+](Cc1ccc(-c2ccccn2)nc1)CC(C)(C)C#N ZINC000425476837 264347155 /nfs/dbraw/zinc/34/71/55/264347155.db2.gz LFZHHVXPNXKCBV-UHFFFAOYSA-N 1 2 280.375 3.125 20 30 CGEDLO C[N@@H+](Cc1ccc(-c2ccccn2)nc1)CC(C)(C)C#N ZINC000425476837 264347158 /nfs/dbraw/zinc/34/71/58/264347158.db2.gz LFZHHVXPNXKCBV-UHFFFAOYSA-N 1 2 280.375 3.125 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1noc(CC)n1)c1ccccc1 ZINC000180040028 264394987 /nfs/dbraw/zinc/39/49/87/264394987.db2.gz ZHONKEVVBUFQAJ-AWEZNQCLSA-N 1 2 271.364 3.429 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912785 266209757 /nfs/dbraw/zinc/20/97/57/266209757.db2.gz GKWVAWCCODCBKQ-DOTOQJQBSA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912785 266209758 /nfs/dbraw/zinc/20/97/58/266209758.db2.gz GKWVAWCCODCBKQ-DOTOQJQBSA-N 1 2 287.407 3.002 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)no1 ZINC000363285381 267084672 /nfs/dbraw/zinc/08/46/72/267084672.db2.gz JLNADFIIZWTULJ-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)no1 ZINC000363285381 267084675 /nfs/dbraw/zinc/08/46/75/267084675.db2.gz JLNADFIIZWTULJ-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO CCCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369299857 267234038 /nfs/dbraw/zinc/23/40/38/267234038.db2.gz WNVKAZLDVLXJEL-LSDHHAIUSA-N 1 2 250.386 3.104 20 30 CGEDLO CCCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000369299857 267234039 /nfs/dbraw/zinc/23/40/39/267234039.db2.gz WNVKAZLDVLXJEL-LSDHHAIUSA-N 1 2 250.386 3.104 20 30 CGEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc(C2CC2)[nH+]1 ZINC000264624420 267333784 /nfs/dbraw/zinc/33/37/84/267333784.db2.gz IZJLBCSUUMFIJX-UHFFFAOYSA-N 1 2 278.359 3.171 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000563367545 328059860 /nfs/dbraw/zinc/05/98/60/328059860.db2.gz POFVSBNPKVIDRD-IJEWVQPXSA-N 1 2 299.418 3.025 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000563367542 328059916 /nfs/dbraw/zinc/05/99/16/328059916.db2.gz POFVSBNPKVIDRD-IIAWOOMASA-N 1 2 299.418 3.025 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000264383436 328159251 /nfs/dbraw/zinc/15/92/51/328159251.db2.gz FUSASBJCYRLTCE-NSHDSACASA-N 1 2 286.297 3.176 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000264383436 328159253 /nfs/dbraw/zinc/15/92/53/328159253.db2.gz FUSASBJCYRLTCE-NSHDSACASA-N 1 2 286.297 3.176 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(F)cn1 ZINC000276191405 328217465 /nfs/dbraw/zinc/21/74/65/328217465.db2.gz IFHUQTGGZAJAEU-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(F)cn1 ZINC000276191405 328217467 /nfs/dbraw/zinc/21/74/67/328217467.db2.gz IFHUQTGGZAJAEU-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287501631 328251472 /nfs/dbraw/zinc/25/14/72/328251472.db2.gz LNCLJKHRFBILOY-AWEZNQCLSA-N 1 2 279.428 3.455 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290972759 328261342 /nfs/dbraw/zinc/26/13/42/328261342.db2.gz XOYXEPGEBPMLAV-LLVKDONJSA-N 1 2 272.270 3.193 20 30 CGEDLO C=CC[N@H+](C/C=C/c1ccccc1OC)CCC#N ZINC000292749599 328273483 /nfs/dbraw/zinc/27/34/83/328273483.db2.gz IGIOZZPWLTTYJU-RMKNXTFCSA-N 1 2 256.349 3.110 20 30 CGEDLO C=CC[N@@H+](C/C=C/c1ccccc1OC)CCC#N ZINC000292749599 328273485 /nfs/dbraw/zinc/27/34/85/328273485.db2.gz IGIOZZPWLTTYJU-RMKNXTFCSA-N 1 2 256.349 3.110 20 30 CGEDLO N#Cc1cscc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000573781284 322406645 /nfs/dbraw/zinc/40/66/45/322406645.db2.gz GONQLASMMOYKDL-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428086073 328490783 /nfs/dbraw/zinc/49/07/83/328490783.db2.gz CRPNEEUVTLRRSQ-GDBMZVCRSA-N 1 2 291.391 3.244 20 30 CGEDLO COc1cc2cc[nH+]cc2cc1OC[C@H](C#N)CCC#N ZINC000573395560 327150660 /nfs/dbraw/zinc/15/06/60/327150660.db2.gz RPEHPXJRLJUPJO-LBPRGKRZSA-N 1 2 281.315 3.066 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](CC)C(F)F)cc1OC ZINC000449356577 327169625 /nfs/dbraw/zinc/16/96/25/327169625.db2.gz AIMGXKRJSNULPN-LBPRGKRZSA-N 1 2 285.334 3.393 20 30 CGEDLO Cc1csc([C@H]2COCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000189259539 329378838 /nfs/dbraw/zinc/37/88/38/329378838.db2.gz JJGXQUXBKVQRPZ-CYBMUJFWSA-N 1 2 293.436 3.155 20 30 CGEDLO Cc1csc([C@H]2COCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000189259539 329378839 /nfs/dbraw/zinc/37/88/39/329378839.db2.gz JJGXQUXBKVQRPZ-CYBMUJFWSA-N 1 2 293.436 3.155 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000298169912 330143354 /nfs/dbraw/zinc/14/33/54/330143354.db2.gz MOUJBBPIDOBGBE-SNVBAGLBSA-N 1 2 256.271 3.297 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000298169912 330143355 /nfs/dbraw/zinc/14/33/55/330143355.db2.gz MOUJBBPIDOBGBE-SNVBAGLBSA-N 1 2 256.271 3.297 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc2ccc(F)cc21 ZINC000425284373 330148064 /nfs/dbraw/zinc/14/80/64/330148064.db2.gz QPZNYKPXQMESFF-WFASDCNBSA-N 1 2 272.323 3.377 20 30 CGEDLO N#CC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000528053510 330306141 /nfs/dbraw/zinc/30/61/41/330306141.db2.gz YHBXNXPCOJUOLE-CYBMUJFWSA-N 1 2 251.333 3.365 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](CCC(C)C)c2ccoc2)nn1 ZINC000424299518 330336867 /nfs/dbraw/zinc/33/68/67/330336867.db2.gz VMVRCEIEDGYRJO-INIZCTEOSA-N 1 2 288.395 3.324 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2oc3ccccc3c2C)nn1 ZINC000424301025 330337813 /nfs/dbraw/zinc/33/78/13/330337813.db2.gz ZDBMXHSYYUSWAC-CYBMUJFWSA-N 1 2 296.374 3.370 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452348931 331062931 /nfs/dbraw/zinc/06/29/31/331062931.db2.gz ANDOMUQDMYMRRQ-KRWDZBQOSA-N 1 2 296.374 3.179 20 30 CGEDLO C=CC(C)(C)CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000452777837 331076991 /nfs/dbraw/zinc/07/69/91/331076991.db2.gz WAZJFFZDQQZQAP-UHFFFAOYSA-N 1 2 283.375 3.123 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ncccc1OC)c1ccco1 ZINC000453348501 331120223 /nfs/dbraw/zinc/12/02/23/331120223.db2.gz CNMSTWDHOYCALZ-ZDUSSCGKSA-N 1 2 272.348 3.480 20 30 CGEDLO C=CC[C@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456424307 331192435 /nfs/dbraw/zinc/19/24/35/331192435.db2.gz PKWCUPBIQJIJQV-KBMXLJTQSA-N 1 2 295.386 3.365 20 30 CGEDLO C=C(CC)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000456811398 331204890 /nfs/dbraw/zinc/20/48/90/331204890.db2.gz JDMNFKCWWVOQJF-UHFFFAOYSA-N 1 2 297.402 3.386 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000489408954 332050390 /nfs/dbraw/zinc/05/03/90/332050390.db2.gz RQIDELZEEKXZRS-QGZVFWFLSA-N 1 2 281.403 3.472 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000489408954 332050391 /nfs/dbraw/zinc/05/03/91/332050391.db2.gz RQIDELZEEKXZRS-QGZVFWFLSA-N 1 2 281.403 3.472 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000489446952 332053160 /nfs/dbraw/zinc/05/31/60/332053160.db2.gz HHDVLHRATMOWNB-KGLIPLIRSA-N 1 2 293.411 3.344 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000489446952 332053161 /nfs/dbraw/zinc/05/31/61/332053161.db2.gz HHDVLHRATMOWNB-KGLIPLIRSA-N 1 2 293.411 3.344 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000491316707 332189201 /nfs/dbraw/zinc/18/92/01/332189201.db2.gz XAIUSAOYPBEGKF-JTQLQIEISA-N 1 2 275.739 3.016 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000491316707 332189202 /nfs/dbraw/zinc/18/92/02/332189202.db2.gz XAIUSAOYPBEGKF-JTQLQIEISA-N 1 2 275.739 3.016 20 30 CGEDLO C#CC[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000491439237 332211648 /nfs/dbraw/zinc/21/16/48/332211648.db2.gz IPLHRJJDURDTND-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C#CC[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000491439237 332211649 /nfs/dbraw/zinc/21/16/49/332211649.db2.gz IPLHRJJDURDTND-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(F)cc1 ZINC000491485776 332220521 /nfs/dbraw/zinc/22/05/21/332220521.db2.gz RAFPVZLSYXOGJI-INIZCTEOSA-N 1 2 299.345 3.307 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(F)cc1 ZINC000491707439 332300180 /nfs/dbraw/zinc/30/01/80/332300180.db2.gz ORZYHLFMYCTDKL-INIZCTEOSA-N 1 2 271.339 3.067 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000491729400 332311788 /nfs/dbraw/zinc/31/17/88/332311788.db2.gz CKTONJFALZRWNJ-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CC1 ZINC000491729400 332311789 /nfs/dbraw/zinc/31/17/89/332311789.db2.gz CKTONJFALZRWNJ-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc(O)c1OC)c1ccc(F)cc1 ZINC000491743810 332321971 /nfs/dbraw/zinc/32/19/71/332321971.db2.gz ICEYGJPXJXZZRL-OAHLLOKOSA-N 1 2 285.318 3.004 20 30 CGEDLO C=CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492890312 332417547 /nfs/dbraw/zinc/41/75/47/332417547.db2.gz BHWSNCQNTXPMRL-SNGWPZLWSA-N 1 2 281.359 3.247 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000505848524 332754769 /nfs/dbraw/zinc/75/47/69/332754769.db2.gz USIPUJLGZZYUAW-ZDUSSCGKSA-N 1 2 264.394 3.169 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000185362261 333139546 /nfs/dbraw/zinc/13/95/46/333139546.db2.gz KNFUXMYQSWLJEE-UHFFFAOYSA-N 1 2 295.386 3.433 20 30 CGEDLO Cc1[nH]c(CNc2cccc(OCCCC#N)c2)[nH+]c1C ZINC000576004004 335140939 /nfs/dbraw/zinc/14/09/39/335140939.db2.gz KQWNBQSTOJAHCV-UHFFFAOYSA-N 1 2 284.363 3.321 20 30 CGEDLO Cc1cc(N2CCC(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000542865085 333846370 /nfs/dbraw/zinc/84/63/70/333846370.db2.gz RCXQOZKHTFAROU-UHFFFAOYSA-N 1 2 258.369 3.039 20 30 CGEDLO C=CCC[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccccc1 ZINC000547978935 334132997 /nfs/dbraw/zinc/13/29/97/334132997.db2.gz MXMDMNVFHSKNQH-QGZVFWFLSA-N 1 2 295.386 3.016 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000550475332 334223261 /nfs/dbraw/zinc/22/32/61/334223261.db2.gz UQAREAXQVOUBOM-RCBQFDQVSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000550475332 334223262 /nfs/dbraw/zinc/22/32/62/334223262.db2.gz UQAREAXQVOUBOM-RCBQFDQVSA-N 1 2 290.794 3.406 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000550502148 334223627 /nfs/dbraw/zinc/22/36/27/334223627.db2.gz DJTWNWIBEIBJIA-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000550502148 334223629 /nfs/dbraw/zinc/22/36/29/334223629.db2.gz DJTWNWIBEIBJIA-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000565169361 334542038 /nfs/dbraw/zinc/54/20/38/334542038.db2.gz AIWURDRXZHQBBV-KRWDZBQOSA-N 1 2 295.386 3.442 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000183833538 335908770 /nfs/dbraw/zinc/90/87/70/335908770.db2.gz CUZIQUKSXXNMKI-LBPRGKRZSA-N 1 2 256.305 3.321 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)c1 ZINC000581200849 336024200 /nfs/dbraw/zinc/02/42/00/336024200.db2.gz SYVIZNSUHOUVLX-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C)c2nc(C)no2)c1 ZINC000581200849 336024201 /nfs/dbraw/zinc/02/42/01/336024201.db2.gz SYVIZNSUHOUVLX-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OCC)c1ccccc1 ZINC000382490686 336091830 /nfs/dbraw/zinc/09/18/30/336091830.db2.gz CZAZMYWACKOCFH-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OCC)c1ccccc1 ZINC000382490686 336091831 /nfs/dbraw/zinc/09/18/31/336091831.db2.gz CZAZMYWACKOCFH-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)c(SC)cc1OC ZINC000352097957 533784329 /nfs/dbraw/zinc/78/43/29/533784329.db2.gz XVEPLIVDRQXRAC-LLVKDONJSA-N 1 2 294.420 3.017 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)c(SC)cc1OC ZINC000352097957 533784334 /nfs/dbraw/zinc/78/43/34/533784334.db2.gz XVEPLIVDRQXRAC-LLVKDONJSA-N 1 2 294.420 3.017 20 30 CGEDLO Cc1ccc(C[N@H+](CCO)Cc2cccc(F)c2C#N)cc1 ZINC000428342129 533899692 /nfs/dbraw/zinc/89/96/92/533899692.db2.gz SOFJGJWSIPMZQM-UHFFFAOYSA-N 1 2 298.361 3.000 20 30 CGEDLO Cc1ccc(C[N@@H+](CCO)Cc2cccc(F)c2C#N)cc1 ZINC000428342129 533899693 /nfs/dbraw/zinc/89/96/93/533899693.db2.gz SOFJGJWSIPMZQM-UHFFFAOYSA-N 1 2 298.361 3.000 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061681040 525922156 /nfs/dbraw/zinc/92/21/56/525922156.db2.gz DWXGMMQNRSPRBS-LLVKDONJSA-N 1 2 257.362 3.059 20 30 CGEDLO C=CC1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000334963873 526974713 /nfs/dbraw/zinc/97/47/13/526974713.db2.gz YDLJWHXCZLUPRB-UHFFFAOYSA-N 1 2 295.386 3.219 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000352496027 527004232 /nfs/dbraw/zinc/00/42/32/527004232.db2.gz RACBRRZRTNLVQI-UHFFFAOYSA-N 1 2 299.418 3.317 20 30 CGEDLO CCCCc1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425542980 529055122 /nfs/dbraw/zinc/05/51/22/529055122.db2.gz RHCIGVAUPBEWQL-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCCc1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425542980 529055127 /nfs/dbraw/zinc/05/51/27/529055127.db2.gz RHCIGVAUPBEWQL-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000749155533 572989970 /nfs/dbraw/zinc/98/99/70/572989970.db2.gz UHSFPHUFEBJYSY-CQSZACIVSA-N 1 2 272.392 3.094 20 30 CGEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000749155533 572989971 /nfs/dbraw/zinc/98/99/71/572989971.db2.gz UHSFPHUFEBJYSY-CQSZACIVSA-N 1 2 272.392 3.094 20 30 CGEDLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(C#N)cc1 ZINC000727469314 571749503 /nfs/dbraw/zinc/74/95/03/571749503.db2.gz WFFNITBVDGELIG-NSHDSACASA-N 1 2 267.332 3.274 20 30 CGEDLO Cc1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000730147804 571950837 /nfs/dbraw/zinc/95/08/37/571950837.db2.gz SVHPWVUVVVJELI-UHFFFAOYSA-N 1 2 251.289 3.004 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccnc3ccccc32)cc1 ZINC000730147873 571950947 /nfs/dbraw/zinc/95/09/47/571950947.db2.gz VSMBHSVAUVNAOR-UHFFFAOYSA-N 1 2 290.370 3.169 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C#N)cc1 ZINC000730148595 571951973 /nfs/dbraw/zinc/95/19/73/571951973.db2.gz YNQSONXDPQLWBH-UHFFFAOYSA-N 1 2 286.338 3.364 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCc2ccc(C)c(OC)c2)c1 ZINC000741165777 572361008 /nfs/dbraw/zinc/36/10/08/572361008.db2.gz RYGRRKZZACGNQA-XDHOZWIPSA-N 1 2 299.370 3.379 20 30 CGEDLO C[C@H](C/[NH+]=C/c1cccc(O)c1O)Cc1cccs1 ZINC000741463307 572411103 /nfs/dbraw/zinc/41/11/03/572411103.db2.gz CWJHWSZHDXQAQS-YAFRSCOQSA-N 1 2 275.373 3.457 20 30 CGEDLO Oc1cccc(/C=[NH+]\[C@@H]2C[C@@H]2C2CCCCC2)c1O ZINC000741463737 572499901 /nfs/dbraw/zinc/49/99/01/572499901.db2.gz HZAKUOBJFMBXSH-SRDPGZLCSA-N 1 2 259.349 3.486 20 30 CGEDLO C[C@@H](/[NH+]=C\c1ccc(O)c(O)c1O)C1CCCCC1 ZINC000741466114 572500685 /nfs/dbraw/zinc/50/06/85/572500685.db2.gz FDFZUOJUMIBITQ-MQHRVFIMSA-N 1 2 263.337 3.191 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C#N ZINC000744209098 572723508 /nfs/dbraw/zinc/72/35/08/572723508.db2.gz UEHUMQRPGPLNLX-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C#N ZINC000744209098 572723509 /nfs/dbraw/zinc/72/35/09/572723509.db2.gz UEHUMQRPGPLNLX-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2COc3ccccc3C2)c1 ZINC000747713470 572942938 /nfs/dbraw/zinc/94/29/38/572942938.db2.gz ZZMGNEGJVSIADP-LPXFMOJISA-N 1 2 297.354 3.071 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@H]2CCCSC2)c(O)c1 ZINC000749007573 572988128 /nfs/dbraw/zinc/98/81/28/572988128.db2.gz JKIIEUKMMOGTOG-ZENNRRHLSA-N 1 2 265.378 3.105 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000957429809 613294849 /nfs/dbraw/zinc/29/48/49/613294849.db2.gz QQVYUIOLOCATAD-HNNXBMFYSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cscc2Cl)C1 ZINC000950573321 613297471 /nfs/dbraw/zinc/29/74/71/613297471.db2.gz PGPCNRKXRHPHSN-UHFFFAOYSA-N 1 2 298.839 3.124 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969372897 613372083 /nfs/dbraw/zinc/37/20/83/613372083.db2.gz LCZHLDGOJGPJAN-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981841673 613373883 /nfs/dbraw/zinc/37/38/83/613373883.db2.gz OAYWPMRUYWBPCH-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981841673 613373884 /nfs/dbraw/zinc/37/38/84/613373884.db2.gz OAYWPMRUYWBPCH-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964775495 613377755 /nfs/dbraw/zinc/37/77/55/613377755.db2.gz SIRVWWRYEQAVDA-SWLSCSKDSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964775495 613377756 /nfs/dbraw/zinc/37/77/56/613377756.db2.gz SIRVWWRYEQAVDA-SWLSCSKDSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2sccc2Cl)C1 ZINC000950393328 613481812 /nfs/dbraw/zinc/48/18/12/613481812.db2.gz QOCHXQPXZGMJTL-UHFFFAOYSA-N 1 2 298.839 3.124 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC000957801388 613716039 /nfs/dbraw/zinc/71/60/39/613716039.db2.gz ORHIGZLNHBMJHM-HNNXBMFYSA-N 1 2 286.419 3.144 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC000891464125 618227815 /nfs/dbraw/zinc/22/78/15/618227815.db2.gz AMOKSQYYGXGGGR-UHFFFAOYSA-N 1 2 271.408 3.332 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC000891464125 618227817 /nfs/dbraw/zinc/22/78/17/618227817.db2.gz AMOKSQYYGXGGGR-UHFFFAOYSA-N 1 2 271.408 3.332 20 30 CGEDLO CCOC(C)(C)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926233575 618300441 /nfs/dbraw/zinc/30/04/41/618300441.db2.gz YMGZGNHMJZKILH-CQSZACIVSA-N 1 2 276.380 3.120 20 30 CGEDLO CCc1cc(NCc2cccc(C#N)c2)nc(CC)[nH+]1 ZINC000891793753 618300533 /nfs/dbraw/zinc/30/05/33/618300533.db2.gz SQIOLEJNMPAOMF-UHFFFAOYSA-N 1 2 266.348 3.085 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1cccc(C#N)c1O ZINC000926583312 618752984 /nfs/dbraw/zinc/75/29/84/618752984.db2.gz UZCHSFWUVJBOQK-SUHUHFCYSA-N 1 2 276.405 3.199 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1cccc(C#N)c1O ZINC000926603875 618761029 /nfs/dbraw/zinc/76/10/29/618761029.db2.gz KIRPTROOMLFHFL-LZWOXQAQSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc(C#N)c1O ZINC000926667235 618811920 /nfs/dbraw/zinc/81/19/20/618811920.db2.gz HBWLTLIPGAKCMC-CXAGYDPISA-N 1 2 295.386 3.331 20 30 CGEDLO Cc1ccc(O)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000180315626 618873550 /nfs/dbraw/zinc/87/35/50/618873550.db2.gz BNXYJXAGZXBAQU-SOFGYWHQSA-N 1 2 278.311 3.244 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cccc(C#N)c1O ZINC000925690414 619139461 /nfs/dbraw/zinc/13/94/61/619139461.db2.gz JJQLIACHJFVENU-VNQPRFMTSA-N 1 2 288.391 3.120 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000107417976 619262688 /nfs/dbraw/zinc/26/26/88/619262688.db2.gz TWHNUHUHTYZTIB-SFHVURJKSA-N 1 2 280.371 3.136 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000107417976 619262690 /nfs/dbraw/zinc/26/26/90/619262690.db2.gz TWHNUHUHTYZTIB-SFHVURJKSA-N 1 2 280.371 3.136 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894445759 619540277 /nfs/dbraw/zinc/54/02/77/619540277.db2.gz RBDMWDPHXIUDSA-MRXNPFEDSA-N 1 2 294.345 3.456 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894445759 619540279 /nfs/dbraw/zinc/54/02/79/619540279.db2.gz RBDMWDPHXIUDSA-MRXNPFEDSA-N 1 2 294.345 3.456 20 30 CGEDLO FC(F)(F)CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814880516 619667738 /nfs/dbraw/zinc/66/77/38/619667738.db2.gz HINHQIBZNVBFIX-QMMMGPOBSA-N 1 2 270.254 3.273 20 30 CGEDLO CC(C)c1nnc(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000895091641 619724933 /nfs/dbraw/zinc/72/49/33/619724933.db2.gz XNWJVVXITOOQFP-UHFFFAOYSA-N 1 2 286.404 3.017 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCC3)C2 ZINC000895214749 619783037 /nfs/dbraw/zinc/78/30/37/619783037.db2.gz HHMHAPKWOVXEIQ-UHFFFAOYSA-N 1 2 276.339 3.009 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1OCC3)C2 ZINC000895214749 619783038 /nfs/dbraw/zinc/78/30/38/619783038.db2.gz HHMHAPKWOVXEIQ-UHFFFAOYSA-N 1 2 276.339 3.009 20 30 CGEDLO C=C1CC(c2noc(-c3ccn4c(C)c[nH+]c4c3)n2)C1 ZINC000896873667 620080588 /nfs/dbraw/zinc/08/05/88/620080588.db2.gz FLQLJGBHSOQKSI-UHFFFAOYSA-N 1 2 266.304 3.126 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC000896946344 620110838 /nfs/dbraw/zinc/11/08/38/620110838.db2.gz RQINVJIYPZQELY-UHFFFAOYSA-N 1 2 293.773 3.321 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(C#N)c1O ZINC000925260376 620277328 /nfs/dbraw/zinc/27/73/28/620277328.db2.gz YAOJOQDKTBUJAT-OCCSQVGLSA-N 1 2 276.405 3.200 20 30 CGEDLO Cc1ccoc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897591490 620405427 /nfs/dbraw/zinc/40/54/27/620405427.db2.gz MVBLBEZZUWKWAF-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccoc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897591490 620405428 /nfs/dbraw/zinc/40/54/28/620405428.db2.gz MVBLBEZZUWKWAF-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(C#N)c1O ZINC000927030277 620564831 /nfs/dbraw/zinc/56/48/31/620564831.db2.gz SGZIMPWTNAGTAW-WZRBSPASSA-N 1 2 276.405 3.199 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc2c(c1)OCCO2 ZINC000901416719 620881524 /nfs/dbraw/zinc/88/15/24/620881524.db2.gz FMNPUSRERNSHGC-PLNGDYQASA-N 1 2 298.342 3.131 20 30 CGEDLO Cc1[nH]c(/C=C2/CCOc3ccc(F)cc3C2=O)[nH+]c1C ZINC000901451163 620885779 /nfs/dbraw/zinc/88/57/79/620885779.db2.gz AZDSCCXMTBEWTG-XFFZJAGNSA-N 1 2 286.306 3.214 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cccc(C)c1C ZINC000901476567 620890923 /nfs/dbraw/zinc/89/09/23/620890923.db2.gz JJUPVZQZBXCDHN-CMDGGOBGSA-N 1 2 254.333 3.416 20 30 CGEDLO Cc1[nH]c(/C=C2\COc3ccc(C)c(C)c3C2=O)[nH+]c1C ZINC000901477441 620891847 /nfs/dbraw/zinc/89/18/47/620891847.db2.gz IRPLUZMPHIOHSV-NTUHNPAUSA-N 1 2 282.343 3.302 20 30 CGEDLO Cc1[nH]c(/C=C2/CCc3cc(F)ccc3C2=O)[nH+]c1C ZINC000901480804 620892215 /nfs/dbraw/zinc/89/22/15/620892215.db2.gz PJIDUILOPMZUIW-WQLSENKSSA-N 1 2 270.307 3.378 20 30 CGEDLO CCCCOc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901506800 620905955 /nfs/dbraw/zinc/90/59/55/620905955.db2.gz QETZECPLPCNGDJ-YFHOEESVSA-N 1 2 284.359 3.495 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1[nH]c(C)c(C)[nH+]1)CCO2 ZINC000901485106 620910287 /nfs/dbraw/zinc/91/02/87/620910287.db2.gz CQJJFFHCSMJMDY-WQLSENKSSA-N 1 2 298.342 3.084 20 30 CGEDLO N#CC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCC1 ZINC000903035975 621537676 /nfs/dbraw/zinc/53/76/76/621537676.db2.gz YGLYWTYRJRACBY-AWEZNQCLSA-N 1 2 272.396 3.315 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cn2ccccc2n1 ZINC000903109776 621583249 /nfs/dbraw/zinc/58/32/49/621583249.db2.gz UZPSIXFLLAIFHB-ZDUSSCGKSA-N 1 2 268.364 3.069 20 30 CGEDLO CN(C)c1cc(-c2ccccc2C2(C#N)CC2)cc[nH+]1 ZINC000904850255 622007979 /nfs/dbraw/zinc/00/79/79/622007979.db2.gz TYIVIMVIPRFPPW-UHFFFAOYSA-N 1 2 263.344 3.370 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccco3)n2c1 ZINC000151451174 622790845 /nfs/dbraw/zinc/79/08/45/622790845.db2.gz VGAHGSULGHMUID-AATRIKPKSA-N 1 2 252.273 3.132 20 30 CGEDLO NC(=[NH+]OCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000060452982 623042920 /nfs/dbraw/zinc/04/29/20/623042920.db2.gz OKCOWVWLTVVAFV-UHFFFAOYSA-N 1 2 292.285 3.125 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983299 623769929 /nfs/dbraw/zinc/76/99/29/623769929.db2.gz OJPSFJNCEBGEBM-UKRRQHHQSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983299 623769939 /nfs/dbraw/zinc/76/99/39/623769939.db2.gz OJPSFJNCEBGEBM-UKRRQHHQSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993784326 624063643 /nfs/dbraw/zinc/06/36/43/624063643.db2.gz CKVGUOGTRKGJIE-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993784326 624063649 /nfs/dbraw/zinc/06/36/49/624063649.db2.gz CKVGUOGTRKGJIE-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO Clc1cccnc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000917549324 624287204 /nfs/dbraw/zinc/28/72/04/624287204.db2.gz LQZHIXUKDMHHQE-UHFFFAOYSA-N 1 2 297.749 3.367 20 30 CGEDLO C=C(C)CCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835189152 634387804 /nfs/dbraw/zinc/38/78/04/634387804.db2.gz HIIAOQINFXCFMP-UHFFFAOYSA-N 1 2 270.332 3.054 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCc2ccccc2)c1O ZINC000920943561 624555676 /nfs/dbraw/zinc/55/56/76/624555676.db2.gz OMVIKKIGJVWBDZ-AQTBWJFISA-N 1 2 269.344 3.453 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)[C@H]1CCCO1 ZINC000762455287 627110482 /nfs/dbraw/zinc/11/04/82/627110482.db2.gz ROBOSVBJKSZATM-NXEZZACHSA-N 1 2 290.215 3.325 20 30 CGEDLO Cc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)ccc1C#N ZINC000922521735 626010677 /nfs/dbraw/zinc/01/06/77/626010677.db2.gz XWSVRXVMUYFBRA-SJLPKXTDSA-N 1 2 296.345 3.428 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000751777267 626404703 /nfs/dbraw/zinc/40/47/03/626404703.db2.gz QSIIFSLPIJECFS-GFCCVEGCSA-N 1 2 267.170 3.127 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000751777267 626404708 /nfs/dbraw/zinc/40/47/08/626404708.db2.gz QSIIFSLPIJECFS-GFCCVEGCSA-N 1 2 267.170 3.127 20 30 CGEDLO C#Cc1cccc(N(CC)Cc2cc[nH+]c(N(C)C)c2)c1 ZINC000754056268 626473754 /nfs/dbraw/zinc/47/37/54/626473754.db2.gz CLAPYLVMSVPDJN-UHFFFAOYSA-N 1 2 279.387 3.155 20 30 CGEDLO Cn1cc(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)cn1 ZINC000761880625 627070797 /nfs/dbraw/zinc/07/07/97/627070797.db2.gz IOUSHTQAYUBTJM-FLZCTFNASA-N 1 2 295.390 3.129 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000762455289 627110659 /nfs/dbraw/zinc/11/06/59/627110659.db2.gz ROBOSVBJKSZATM-UWVGGRQHSA-N 1 2 290.215 3.325 20 30 CGEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C/c1[nH]cc[nH+]1 ZINC000766504728 627338778 /nfs/dbraw/zinc/33/87/78/627338778.db2.gz CAGASRIHNPITEJ-BMQCOBNYSA-N 1 2 252.317 3.429 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1F ZINC000768878773 627505615 /nfs/dbraw/zinc/50/56/15/627505615.db2.gz REJSJXGVYRDFOJ-ZDUSSCGKSA-N 1 2 277.387 3.263 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1F ZINC000768878773 627505620 /nfs/dbraw/zinc/50/56/20/627505620.db2.gz REJSJXGVYRDFOJ-ZDUSSCGKSA-N 1 2 277.387 3.263 20 30 CGEDLO O=C1c2cccc(O)c2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000769611278 627569336 /nfs/dbraw/zinc/56/93/36/627569336.db2.gz WYMFLINAHVYXEM-QXMHVHEDSA-N 1 2 290.322 3.252 20 30 CGEDLO Brc1cnn([NH+]=C2CC[C@@H]2c2ccccc2)c1 ZINC000769800522 627579292 /nfs/dbraw/zinc/57/92/92/627579292.db2.gz VSDLUWCTAKWNBY-GFCCVEGCSA-N 1 2 290.164 3.427 20 30 CGEDLO Clc1ccccc1CNN=Cc1cccc2[nH+]ccn21 ZINC000771096002 627682334 /nfs/dbraw/zinc/68/23/34/627682334.db2.gz AYZVYAPGPYTHRZ-UHFFFAOYSA-N 1 2 284.750 3.111 20 30 CGEDLO C#C[C@H]([NH2+][C@H](C)c1csc(C(C)C)n1)[C@@H]1CCCO1 ZINC000775571748 628108288 /nfs/dbraw/zinc/10/82/88/628108288.db2.gz KYHWDEDTZCMBFT-DYEKYZERSA-N 1 2 278.421 3.098 20 30 CGEDLO CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000778596118 628359988 /nfs/dbraw/zinc/35/99/88/628359988.db2.gz RUORPKAGEKTXKK-CYBMUJFWSA-N 1 2 293.436 3.140 20 30 CGEDLO CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000778596118 628359990 /nfs/dbraw/zinc/35/99/90/628359990.db2.gz RUORPKAGEKTXKK-CYBMUJFWSA-N 1 2 293.436 3.140 20 30 CGEDLO CC1(C)CCC[C@@H]1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782287490 628634384 /nfs/dbraw/zinc/63/43/84/628634384.db2.gz MJKCYOSPPQBSCZ-INIZCTEOSA-N 1 2 282.391 3.375 20 30 CGEDLO Cc1cc(F)ccc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000784049063 628771806 /nfs/dbraw/zinc/77/18/06/628771806.db2.gz JJSUTNSSNSWDBB-UHFFFAOYSA-N 1 2 276.286 3.110 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000784526275 628817049 /nfs/dbraw/zinc/81/70/49/628817049.db2.gz HARWVIYNFQWWPJ-VIFPVBQESA-N 1 2 270.195 3.281 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000784526275 628817053 /nfs/dbraw/zinc/81/70/53/628817053.db2.gz HARWVIYNFQWWPJ-VIFPVBQESA-N 1 2 270.195 3.281 20 30 CGEDLO FC(F)(F)C(=NOCCCn1cc[nH+]c1)c1ccccc1 ZINC000784670232 628828750 /nfs/dbraw/zinc/82/87/50/628828750.db2.gz CAJZJLFJAXABAK-UHFFFAOYSA-N 1 2 297.280 3.256 20 30 CGEDLO CCc1cccc(CO[NH+]=C(N)c2ccc(OC)cc2)c1 ZINC000786741503 628960585 /nfs/dbraw/zinc/96/05/85/628960585.db2.gz COEMFBMNHWCMJV-UHFFFAOYSA-N 1 2 284.359 3.095 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1cccc(OC2CCCC2)c1 ZINC000790305256 629202438 /nfs/dbraw/zinc/20/24/38/629202438.db2.gz HBMOLWCNNGENPU-UHFFFAOYSA-N 1 2 284.363 3.188 20 30 CGEDLO C#CCCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791438193 629277928 /nfs/dbraw/zinc/27/79/28/629277928.db2.gz APCZFNDTXKWXJP-UHFFFAOYSA-N 1 2 296.370 3.418 20 30 CGEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H]1CCc2ccccc21 ZINC000862210969 629323144 /nfs/dbraw/zinc/32/31/44/629323144.db2.gz BAFAFLVEEXAHNH-QGZVFWFLSA-N 1 2 279.387 3.149 20 30 CGEDLO Cc1cc(C[NH2+]CC2(C#N)CC2)c(Br)cc1F ZINC000862353575 629346889 /nfs/dbraw/zinc/34/68/89/629346889.db2.gz RYEGVCARGCODHZ-UHFFFAOYSA-N 1 2 297.171 3.290 20 30 CGEDLO CC1(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000793084311 629409380 /nfs/dbraw/zinc/40/93/80/629409380.db2.gz KVLDWCNKEPYVLY-UHFFFAOYSA-N 1 2 282.391 3.376 20 30 CGEDLO C[C@H](O[NH+]=C(N)Cc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000794726902 629573152 /nfs/dbraw/zinc/57/31/52/629573152.db2.gz QBMUXLQIHWERMJ-LBPRGKRZSA-N 1 2 297.333 3.500 20 30 CGEDLO Cc1[nH+]cc(CN=Nc2ncccc2F)n1-c1ccccc1 ZINC000794984938 629614396 /nfs/dbraw/zinc/61/43/96/629614396.db2.gz POAYRKFTRYULKK-UHFFFAOYSA-N 1 2 295.321 3.161 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC(C)(C)OC)c(O)c1 ZINC000864346545 629814865 /nfs/dbraw/zinc/81/48/65/629814865.db2.gz BPBIQDUKGSISGA-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H]2CCC23CCOCC3)c1O ZINC000864348586 629817330 /nfs/dbraw/zinc/81/73/30/629817330.db2.gz NAOAVJBMMCWIPX-XWAFYUISSA-N 1 2 289.375 3.027 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796835659 629844423 /nfs/dbraw/zinc/84/44/23/629844423.db2.gz NHMAJXVUOSBHIY-VIFPVBQESA-N 1 2 294.301 3.131 20 30 CGEDLO CC(C)(C)c1cn(CCOc2cccc(C#N)c2)c[nH+]1 ZINC000865375643 630086802 /nfs/dbraw/zinc/08/68/02/630086802.db2.gz JYEMJFNFUFAQSG-UHFFFAOYSA-N 1 2 269.348 3.131 20 30 CGEDLO C#CC[N@H+](Cc1ncnn1-c1ccccc1)C1CCCCC1 ZINC000799116372 630145765 /nfs/dbraw/zinc/14/57/65/630145765.db2.gz JLZVPCGCGADURQ-UHFFFAOYSA-N 1 2 294.402 3.035 20 30 CGEDLO C#CC[N@@H+](Cc1ncnn1-c1ccccc1)C1CCCCC1 ZINC000799116372 630145769 /nfs/dbraw/zinc/14/57/69/630145769.db2.gz JLZVPCGCGADURQ-UHFFFAOYSA-N 1 2 294.402 3.035 20 30 CGEDLO NC(=[NH+]OCCCCC1CCOCC1)c1ccc(F)cc1 ZINC000799174136 630151929 /nfs/dbraw/zinc/15/19/29/630151929.db2.gz BXXYMVNMMZNSBB-UHFFFAOYSA-N 1 2 294.370 3.060 20 30 CGEDLO O=C1C=C([NH2+]Nc2cccc(Cl)c2F)[C@@H]2CCCCN12 ZINC000799479373 630187781 /nfs/dbraw/zinc/18/77/81/630187781.db2.gz OTVBRSNZLRGCIO-LBPRGKRZSA-N 1 2 295.745 3.032 20 30 CGEDLO CCCCNc1[nH+]c2ccccc2n1CCO[C@@H](C)C#N ZINC000802726749 630405657 /nfs/dbraw/zinc/40/56/57/630405657.db2.gz OZQHNIIOBDOQKX-ZDUSSCGKSA-N 1 2 286.379 3.177 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000840040499 630520826 /nfs/dbraw/zinc/52/08/26/630520826.db2.gz FICDORCVBNMLQS-INIZCTEOSA-N 1 2 284.403 3.206 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000840040499 630520829 /nfs/dbraw/zinc/52/08/29/630520829.db2.gz FICDORCVBNMLQS-INIZCTEOSA-N 1 2 284.403 3.206 20 30 CGEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000808431203 630644118 /nfs/dbraw/zinc/64/41/18/630644118.db2.gz PDIZMXZBIJMFTR-OAHLLOKOSA-N 1 2 293.361 3.314 20 30 CGEDLO CCCCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808775990 630676640 /nfs/dbraw/zinc/67/66/40/630676640.db2.gz PFQKWVASAUAWBC-CYBMUJFWSA-N 1 2 280.416 3.050 20 30 CGEDLO CCCCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808775990 630676641 /nfs/dbraw/zinc/67/66/41/630676641.db2.gz PFQKWVASAUAWBC-CYBMUJFWSA-N 1 2 280.416 3.050 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811731913 631115444 /nfs/dbraw/zinc/11/54/44/631115444.db2.gz KWPLMANTPQRICC-QGZVFWFLSA-N 1 2 298.430 3.279 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811731913 631115446 /nfs/dbraw/zinc/11/54/46/631115446.db2.gz KWPLMANTPQRICC-QGZVFWFLSA-N 1 2 298.430 3.279 20 30 CGEDLO C=C(Br)C[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848674 631324913 /nfs/dbraw/zinc/32/49/13/631324913.db2.gz KYKZPWSIANHHFE-JSGCOSHPSA-N 1 2 298.224 3.339 20 30 CGEDLO C=C(Br)C[N@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848674 631324916 /nfs/dbraw/zinc/32/49/16/631324916.db2.gz KYKZPWSIANHHFE-JSGCOSHPSA-N 1 2 298.224 3.339 20 30 CGEDLO C#CC[N@H+](Cc1ccns1)[C@@H]1CCc2ccccc21 ZINC000876513723 634850063 /nfs/dbraw/zinc/85/00/63/634850063.db2.gz PBCVVVGUFQSIQG-MRXNPFEDSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1ccns1)[C@@H]1CCc2ccccc21 ZINC000876513723 634850066 /nfs/dbraw/zinc/85/00/66/634850066.db2.gz PBCVVVGUFQSIQG-MRXNPFEDSA-N 1 2 268.385 3.266 20 30 CGEDLO CC(=[NH+]Nc1cccc(F)c1)c1cc(N)ccc1F ZINC000814815064 631647956 /nfs/dbraw/zinc/64/79/56/631647956.db2.gz LTKQPSRQUIRTJC-UHFFFAOYSA-N 1 2 261.275 3.383 20 30 CGEDLO CC(=[NH+]NCCc1ccccc1F)c1cc(N)ccc1F ZINC000814875317 631661490 /nfs/dbraw/zinc/66/14/90/631661490.db2.gz BXSPKWDDYUGXNZ-UHFFFAOYSA-N 1 2 289.329 3.103 20 30 CGEDLO CC1(C)CC(=[NH+]O[C@@H]2CCCCO2)c2cc(N)ccc2O1 ZINC000814888257 631666619 /nfs/dbraw/zinc/66/66/19/631666619.db2.gz TVIYBDBOCDEZOE-OAHLLOKOSA-N 1 2 290.363 3.077 20 30 CGEDLO C#CCCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817385094 632136578 /nfs/dbraw/zinc/13/65/78/632136578.db2.gz BYPUTFIPBNSUEG-UHFFFAOYSA-N 1 2 289.444 3.165 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CC23CCSCC3)c1 ZINC000817708065 632202725 /nfs/dbraw/zinc/20/27/25/632202725.db2.gz RUUWHVKZESTZES-VZWMTCDZSA-N 1 2 291.416 3.353 20 30 CGEDLO CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821627808 632807052 /nfs/dbraw/zinc/80/70/52/632807052.db2.gz OXWWDTNGCNYSFH-OAHLLOKOSA-N 1 2 297.358 3.026 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(F)ncc1F ZINC000822526791 632962826 /nfs/dbraw/zinc/96/28/26/632962826.db2.gz XVURTOJTSHMEIB-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)ncc1F ZINC000822526791 632962831 /nfs/dbraw/zinc/96/28/31/632962831.db2.gz XVURTOJTSHMEIB-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(C#N)c1O ZINC000866243607 633042684 /nfs/dbraw/zinc/04/26/84/633042684.db2.gz HXQPNEZPCCTWGN-OLZOCXBDSA-N 1 2 296.370 3.168 20 30 CGEDLO CCCC(O)(CCC)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866268706 633054167 /nfs/dbraw/zinc/05/41/67/633054167.db2.gz CTQDZEQENFYTCV-CYBMUJFWSA-N 1 2 290.407 3.246 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cccc(C#N)c1O ZINC000866341043 633089163 /nfs/dbraw/zinc/08/91/63/633089163.db2.gz NTCMYFFZAUMEAY-DTWKUNHWSA-N 1 2 272.270 3.255 20 30 CGEDLO CSC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866350033 633093053 /nfs/dbraw/zinc/09/30/53/633093053.db2.gz SQTOZGXLAWUJNX-NSHDSACASA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C#N)c1O ZINC000866352467 633094118 /nfs/dbraw/zinc/09/41/18/633094118.db2.gz JVAYBVFXUKMCBF-IYXRBSQSSA-N 1 2 283.375 3.244 20 30 CGEDLO COCCc1cc[nH+]c(N[C@H](C)c2cccc(C#N)c2O)c1 ZINC000866356700 633098574 /nfs/dbraw/zinc/09/85/74/633098574.db2.gz FUDUCDSGXUJCMY-GFCCVEGCSA-N 1 2 297.358 3.021 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C#N)c1O ZINC000866359371 633099486 /nfs/dbraw/zinc/09/94/86/633099486.db2.gz PPRQPCKUCXNSIX-TZMCWYRMSA-N 1 2 294.354 3.091 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H](O)c1ccccc1 ZINC000866360736 633101259 /nfs/dbraw/zinc/10/12/59/633101259.db2.gz YQVXWEFEEKGNBC-OGHNNQOOSA-N 1 2 296.370 3.037 20 30 CGEDLO N#CCc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866381281 633113256 /nfs/dbraw/zinc/11/32/56/633113256.db2.gz PLKKQQRHZDLOSX-AEFFLSMTSA-N 1 2 296.345 3.314 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(F)F ZINC000824509301 633251746 /nfs/dbraw/zinc/25/17/46/633251746.db2.gz KRXGVLHIIWVTIB-ZWNOBZJWSA-N 1 2 268.307 3.111 20 30 CGEDLO Cn1c[nH+]cc1CNc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000824721804 633280205 /nfs/dbraw/zinc/28/02/05/633280205.db2.gz JVPMDKJAJCNKRK-UHFFFAOYSA-N 1 2 284.363 3.081 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000827650032 633507947 /nfs/dbraw/zinc/50/79/47/633507947.db2.gz MLJCMPVOYYWWPY-KRWDZBQOSA-N 1 2 289.398 3.407 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000827650032 633507949 /nfs/dbraw/zinc/50/79/49/633507949.db2.gz MLJCMPVOYYWWPY-KRWDZBQOSA-N 1 2 289.398 3.407 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000828282619 633602256 /nfs/dbraw/zinc/60/22/56/633602256.db2.gz GCDWDAXQFBADFX-ZDUSSCGKSA-N 1 2 299.324 3.221 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000828282619 633602258 /nfs/dbraw/zinc/60/22/58/633602258.db2.gz GCDWDAXQFBADFX-ZDUSSCGKSA-N 1 2 299.324 3.221 20 30 CGEDLO C#Cc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000829463355 633737332 /nfs/dbraw/zinc/73/73/32/633737332.db2.gz JSNIFSZNMZDPRA-UHFFFAOYSA-N 1 2 263.344 3.256 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC(C)(C)COC)c1O ZINC000871597017 633799982 /nfs/dbraw/zinc/79/99/82/633799982.db2.gz JMQTUBWVOZCHOG-GZTJUZNOSA-N 1 2 279.380 3.273 20 30 CGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(Cl)s1)CC2 ZINC000872112653 634038007 /nfs/dbraw/zinc/03/80/07/634038007.db2.gz KHFPTKREYLBLGQ-LBPRGKRZSA-N 1 2 289.791 3.445 20 30 CGEDLO CC[N@@H+](Cc1cnc2c(F)cccc2c1)C[C@@H](C)C#N ZINC000876617286 634868632 /nfs/dbraw/zinc/86/86/32/634868632.db2.gz JDBBSZJKNHOJOL-LBPRGKRZSA-N 1 2 271.339 3.355 20 30 CGEDLO CC[N@H+](Cc1cnc2c(F)cccc2c1)C[C@@H](C)C#N ZINC000876617286 634868637 /nfs/dbraw/zinc/86/86/37/634868637.db2.gz JDBBSZJKNHOJOL-LBPRGKRZSA-N 1 2 271.339 3.355 20 30 CGEDLO Cc1sc(C[N@@H+](C)C[C@@H](C)C#N)cc1Br ZINC000876617304 634869195 /nfs/dbraw/zinc/86/91/95/634869195.db2.gz JRQLFEUGXUDZPC-QMMMGPOBSA-N 1 2 287.226 3.411 20 30 CGEDLO Cc1sc(C[N@H+](C)C[C@@H](C)C#N)cc1Br ZINC000876617304 634869198 /nfs/dbraw/zinc/86/91/98/634869198.db2.gz JRQLFEUGXUDZPC-QMMMGPOBSA-N 1 2 287.226 3.411 20 30 CGEDLO N#CC1CCC([NH2+]c2ccc(N3CCOCC3)cc2)CC1 ZINC000876820234 634906961 /nfs/dbraw/zinc/90/69/61/634906961.db2.gz TUKZYOUWJLHUFW-UHFFFAOYSA-N 1 2 285.391 3.017 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877047451 634962755 /nfs/dbraw/zinc/96/27/55/634962755.db2.gz ZZMLBTPSGBROKA-MRVPVSSYSA-N 1 2 290.754 3.062 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]c1ccc2c(c1)CCCN2C ZINC000877159864 635003155 /nfs/dbraw/zinc/00/31/55/635003155.db2.gz NWMNDSFFKDKARQ-ZDUSSCGKSA-N 1 2 257.381 3.421 20 30 CGEDLO C[N@H+](Cc1cnc2c(F)cccc2c1)CC(C)(C)C#N ZINC000877549242 635084352 /nfs/dbraw/zinc/08/43/52/635084352.db2.gz AAKGNTKLWIUTQB-UHFFFAOYSA-N 1 2 271.339 3.355 20 30 CGEDLO C[N@@H+](Cc1cnc2c(F)cccc2c1)CC(C)(C)C#N ZINC000877549242 635084356 /nfs/dbraw/zinc/08/43/56/635084356.db2.gz AAKGNTKLWIUTQB-UHFFFAOYSA-N 1 2 271.339 3.355 20 30 CGEDLO Cc1ccc2c(c1)S/C(=C/c1c[nH+]c(N(C)C)n1C)C2=O ZINC000841487506 635185536 /nfs/dbraw/zinc/18/55/36/635185536.db2.gz WHQWHVZNBKTBAN-RIYZIHGNSA-N 1 2 299.399 3.124 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000878698819 635607895 /nfs/dbraw/zinc/60/78/95/635607895.db2.gz IFLLDBNKQGJQEW-HOCLYGCPSA-N 1 2 287.407 3.018 20 30 CGEDLO C#CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)C1CSC1 ZINC000878909534 635655485 /nfs/dbraw/zinc/65/54/85/635655485.db2.gz UJFSHHBGRKWEAF-UHFFFAOYSA-N 1 2 298.411 3.201 20 30 CGEDLO C#CC[N@H+](Cc1oc(-c2ccccc2)nc1C)C1CSC1 ZINC000878909534 635655489 /nfs/dbraw/zinc/65/54/89/635655489.db2.gz UJFSHHBGRKWEAF-UHFFFAOYSA-N 1 2 298.411 3.201 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843424416 635668848 /nfs/dbraw/zinc/66/88/48/635668848.db2.gz UBHJEJFMPCRSAR-LLVKDONJSA-N 1 2 281.758 3.420 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843424416 635668850 /nfs/dbraw/zinc/66/88/50/635668850.db2.gz UBHJEJFMPCRSAR-LLVKDONJSA-N 1 2 281.758 3.420 20 30 CGEDLO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844477654 635913817 /nfs/dbraw/zinc/91/38/17/635913817.db2.gz PPBFVYKEKFASBO-GOSISDBHSA-N 1 2 296.345 3.055 20 30 CGEDLO Cc1cc(F)ccc1[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844477654 635913819 /nfs/dbraw/zinc/91/38/19/635913819.db2.gz PPBFVYKEKFASBO-GOSISDBHSA-N 1 2 296.345 3.055 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000844761164 635959630 /nfs/dbraw/zinc/95/96/30/635959630.db2.gz DJFONIVPZUORQP-UHFFFAOYSA-N 1 2 290.366 3.268 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000844761164 635959634 /nfs/dbraw/zinc/95/96/34/635959634.db2.gz DJFONIVPZUORQP-UHFFFAOYSA-N 1 2 290.366 3.268 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846844348 636258206 /nfs/dbraw/zinc/25/82/06/636258206.db2.gz BLUURHOVENZBHG-AWEZNQCLSA-N 1 2 259.378 3.335 20 30 CGEDLO CCC1(C)CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848418852 636572436 /nfs/dbraw/zinc/57/24/36/636572436.db2.gz PWDQKRHNPWIYGH-UHFFFAOYSA-N 1 2 262.401 3.209 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC000848418477 636573262 /nfs/dbraw/zinc/57/32/62/636573262.db2.gz LGWRVYXXZCAYMI-UHFFFAOYSA-N 1 2 284.407 3.410 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2cccc(Cl)n2)ccc1F ZINC000131226368 636586056 /nfs/dbraw/zinc/58/60/56/636586056.db2.gz DSMGYIFADZOUFA-UHFFFAOYSA-N 1 2 293.729 3.020 20 30 CGEDLO CC[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(C#N)cc1 ZINC000883312060 636661732 /nfs/dbraw/zinc/66/17/32/636661732.db2.gz SIGQUAFCLHKFHI-INIZCTEOSA-N 1 2 292.386 3.468 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(Cl)n1C ZINC000848881802 636672089 /nfs/dbraw/zinc/67/20/89/636672089.db2.gz ZPZBSXPHAIQDPJ-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(Cl)n1C ZINC000848881802 636672093 /nfs/dbraw/zinc/67/20/93/636672093.db2.gz ZPZBSXPHAIQDPJ-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000883392243 636736897 /nfs/dbraw/zinc/73/68/97/636736897.db2.gz CTXPXZLSVTWSGS-RISCZKNCSA-N 1 2 283.799 3.413 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134233108 637008375 /nfs/dbraw/zinc/00/83/75/637008375.db2.gz FXWKBKACZCIFBM-SMDDNHRTSA-N 1 2 296.208 3.219 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134233108 637008383 /nfs/dbraw/zinc/00/83/83/637008383.db2.gz FXWKBKACZCIFBM-SMDDNHRTSA-N 1 2 296.208 3.219 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134233064 637008785 /nfs/dbraw/zinc/00/87/85/637008785.db2.gz FXWKBKACZCIFBM-FZMZJTMJSA-N 1 2 296.208 3.219 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134233064 637008789 /nfs/dbraw/zinc/00/87/89/637008789.db2.gz FXWKBKACZCIFBM-FZMZJTMJSA-N 1 2 296.208 3.219 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000852102250 637595259 /nfs/dbraw/zinc/59/52/59/637595259.db2.gz XRXFIOWQAOOKIM-MRXNPFEDSA-N 1 2 287.338 3.076 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)nc1Cl)[C@H](C)COC ZINC000852356963 637641759 /nfs/dbraw/zinc/64/17/59/637641759.db2.gz SYIFOLLSKIBTHO-SNVBAGLBSA-N 1 2 289.206 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)nc1Cl)[C@H](C)COC ZINC000852356963 637641763 /nfs/dbraw/zinc/64/17/63/637641763.db2.gz SYIFOLLSKIBTHO-SNVBAGLBSA-N 1 2 289.206 3.411 20 30 CGEDLO CO[C@H]1C[C@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000887268942 637785750 /nfs/dbraw/zinc/78/57/50/637785750.db2.gz YUXYUMAPQXTJKB-FCBUMUPQSA-N 1 2 269.344 3.389 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccoc1C ZINC000853228274 637787721 /nfs/dbraw/zinc/78/77/21/637787721.db2.gz IDBGESVNNLWGNM-UHFFFAOYSA-N 1 2 270.332 3.387 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2cc(C#N)cnn2)cc1 ZINC000853296283 637803264 /nfs/dbraw/zinc/80/32/64/637803264.db2.gz AEBWSZBNDRUGRY-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2cc(C#N)cnn2)cc1 ZINC000853296283 637803268 /nfs/dbraw/zinc/80/32/68/637803268.db2.gz AEBWSZBNDRUGRY-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCc1cccc(C)c1NN=Cc1c[nH+]c(C)n1C ZINC000853343214 637817979 /nfs/dbraw/zinc/81/79/79/637817979.db2.gz YEPJNRCROVXHQI-UHFFFAOYSA-N 1 2 256.353 3.045 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccncc1C)c1cccc(C#N)c1O ZINC000925627992 638548563 /nfs/dbraw/zinc/54/85/63/638548563.db2.gz CXCDYLVMIKNENE-KRWDZBQOSA-N 1 2 295.386 3.251 20 30 CGEDLO CCCCCCCC[C@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884283 638593219 /nfs/dbraw/zinc/59/32/19/638593219.db2.gz GIURUYJKAHJHST-GJZGRUSLSA-N 1 2 291.439 3.311 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccccc1 ZINC000857981525 638611594 /nfs/dbraw/zinc/61/15/94/638611594.db2.gz GDZNWBGKRVMUIJ-JKSUJKDBSA-N 1 2 295.386 3.194 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ncco1 ZINC000926602729 638790783 /nfs/dbraw/zinc/79/07/83/638790783.db2.gz NVOKTXFZSFGHFK-ABAIWWIYSA-N 1 2 267.332 3.274 20 30 CGEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)no1 ZINC000859298196 639125974 /nfs/dbraw/zinc/12/59/74/639125974.db2.gz XPNUNDSBORYOBI-LBPRGKRZSA-N 1 2 255.321 3.014 20 30 CGEDLO CO[C@@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154778 639277852 /nfs/dbraw/zinc/27/78/52/639277852.db2.gz MWHURVWTBPXZSG-WFASDCNBSA-N 1 2 278.783 3.263 20 30 CGEDLO CO[C@@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154778 639277857 /nfs/dbraw/zinc/27/78/57/639277857.db2.gz MWHURVWTBPXZSG-WFASDCNBSA-N 1 2 278.783 3.263 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000934465951 639613458 /nfs/dbraw/zinc/61/34/58/639613458.db2.gz HYMZCHCALFPACB-LLVKDONJSA-N 1 2 295.342 3.232 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000934465951 639613460 /nfs/dbraw/zinc/61/34/60/639613460.db2.gz HYMZCHCALFPACB-LLVKDONJSA-N 1 2 295.342 3.232 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934465315 639614262 /nfs/dbraw/zinc/61/42/62/639614262.db2.gz SVVSQODGNNHSRN-VIFPVBQESA-N 1 2 268.263 3.023 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934465315 639614269 /nfs/dbraw/zinc/61/42/69/639614269.db2.gz SVVSQODGNNHSRN-VIFPVBQESA-N 1 2 268.263 3.023 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000935235044 639771660 /nfs/dbraw/zinc/77/16/60/639771660.db2.gz YESWEACAFHEEJS-AWEZNQCLSA-N 1 2 283.375 3.091 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016360184 640995711 /nfs/dbraw/zinc/99/57/11/640995711.db2.gz OUIMAHWARSWPOU-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016360184 640995714 /nfs/dbraw/zinc/99/57/14/640995714.db2.gz OUIMAHWARSWPOU-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016360180 640996813 /nfs/dbraw/zinc/99/68/13/640996813.db2.gz OUIMAHWARSWPOU-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016360180 640996818 /nfs/dbraw/zinc/99/68/18/640996818.db2.gz OUIMAHWARSWPOU-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)CNc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001155655154 805599580 /nfs/dbraw/zinc/59/95/80/805599580.db2.gz SKCLOIHBWLERPG-UHFFFAOYSA-N 1 2 294.402 3.023 20 30 CGEDLO C=C(C)CNc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001155655154 805599583 /nfs/dbraw/zinc/59/95/83/805599583.db2.gz SKCLOIHBWLERPG-UHFFFAOYSA-N 1 2 294.402 3.023 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc2c1NC(C)(C)C=C2 ZINC001250485406 805646643 /nfs/dbraw/zinc/64/66/43/805646643.db2.gz SCJBUTPPEAYSPG-ZDUSSCGKSA-N 1 2 297.402 3.258 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc2c1NC(C)(C)C=C2 ZINC001250485406 805646647 /nfs/dbraw/zinc/64/66/47/805646647.db2.gz SCJBUTPPEAYSPG-ZDUSSCGKSA-N 1 2 297.402 3.258 20 30 CGEDLO C=C(C)C(=O)NCCCNc1cc(-c2ccccc2)cc[nH+]1 ZINC001156821082 805738188 /nfs/dbraw/zinc/73/81/88/805738188.db2.gz JVHHJBXAFOXHTO-UHFFFAOYSA-N 1 2 295.386 3.243 20 30 CGEDLO COc1cc(C)c[nH+]c1N[C@@H](C)c1cccc(C#N)c1 ZINC001156873427 805744613 /nfs/dbraw/zinc/74/46/13/805744613.db2.gz JUSYZBKRLBJYGK-LBPRGKRZSA-N 1 2 267.332 3.443 20 30 CGEDLO Cc1nc2cc(CNc3cc(CC#N)cc[nH+]3)ccc2o1 ZINC001156935641 805757940 /nfs/dbraw/zinc/75/79/40/805757940.db2.gz HMXQPJWEBBUZPW-UHFFFAOYSA-N 1 2 278.315 3.209 20 30 CGEDLO Cc1ccc([C@@H](C)Nc2cc(CC#N)cc[nH+]2)nc1 ZINC001158020997 805916689 /nfs/dbraw/zinc/91/66/89/805916689.db2.gz WAPGUXDURBIGHX-GFCCVEGCSA-N 1 2 252.321 3.024 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001252602086 806081726 /nfs/dbraw/zinc/08/17/26/806081726.db2.gz LHXHTCLYNSLAHI-HZPDHXFCSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001252602086 806081736 /nfs/dbraw/zinc/08/17/36/806081736.db2.gz LHXHTCLYNSLAHI-HZPDHXFCSA-N 1 2 295.810 3.040 20 30 CGEDLO CSc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001159375650 806091062 /nfs/dbraw/zinc/09/10/62/806091062.db2.gz FAQKHQYBVRLGNG-UHFFFAOYSA-N 1 2 254.358 3.267 20 30 CGEDLO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1noc(C)n1 ZINC001252979277 806144281 /nfs/dbraw/zinc/14/42/81/806144281.db2.gz JOYFQGHMOVEADO-OAHLLOKOSA-N 1 2 297.443 3.359 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCCC(F)(F)F)c2)CC1 ZINC001161823175 806464362 /nfs/dbraw/zinc/46/43/62/806464362.db2.gz KXURBWQZRVRWND-UHFFFAOYSA-N 1 2 255.243 3.001 20 30 CGEDLO CCCC[N@H+](CC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC001254630191 806464582 /nfs/dbraw/zinc/46/45/82/806464582.db2.gz OCKQPWWGKZAFDP-UHFFFAOYSA-N 1 2 289.398 3.420 20 30 CGEDLO CCCC[N@@H+](CC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC001254630191 806464588 /nfs/dbraw/zinc/46/45/88/806464588.db2.gz OCKQPWWGKZAFDP-UHFFFAOYSA-N 1 2 289.398 3.420 20 30 CGEDLO C=C(C)CC[NH2+]Cc1cccc(Br)c1O ZINC000386650189 799438434 /nfs/dbraw/zinc/43/84/34/799438434.db2.gz BMKSCZZOWCSNBD-UHFFFAOYSA-N 1 2 270.170 3.211 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000398069866 799525721 /nfs/dbraw/zinc/52/57/21/799525721.db2.gz DFFXMOUUZPANQI-RISCZKNCSA-N 1 2 280.318 3.427 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1cccc(F)c1)C(=O)OCC ZINC001255852777 806768975 /nfs/dbraw/zinc/76/89/75/806768975.db2.gz CTXMBIIIIVYFRW-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO CCOc1cccc(CCNc2ccc(CC#N)c[nH+]2)c1 ZINC001163712295 806806507 /nfs/dbraw/zinc/80/65/07/806806507.db2.gz MFTIKHBBUARVNJ-UHFFFAOYSA-N 1 2 281.359 3.201 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027875113 800824215 /nfs/dbraw/zinc/82/42/15/800824215.db2.gz VHTWLHIOZUJXOC-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027875113 800824223 /nfs/dbraw/zinc/82/42/23/800824223.db2.gz VHTWLHIOZUJXOC-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028122307 800831333 /nfs/dbraw/zinc/83/13/33/800831333.db2.gz GKUASKQYDCJJAC-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028122307 800831339 /nfs/dbraw/zinc/83/13/39/800831339.db2.gz GKUASKQYDCJJAC-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108809 800954362 /nfs/dbraw/zinc/95/43/62/800954362.db2.gz UVCILFCRAFKAEZ-GDBMZVCRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108809 800954364 /nfs/dbraw/zinc/95/43/64/800954364.db2.gz UVCILFCRAFKAEZ-GDBMZVCRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001038922580 801136723 /nfs/dbraw/zinc/13/67/23/801136723.db2.gz XRRMOOLFJOEVJT-HNNXBMFYSA-N 1 2 298.386 3.040 20 30 CGEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001038922580 801136727 /nfs/dbraw/zinc/13/67/27/801136727.db2.gz XRRMOOLFJOEVJT-HNNXBMFYSA-N 1 2 298.386 3.040 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501875 801540184 /nfs/dbraw/zinc/54/01/84/801540184.db2.gz VXFSOFZFRVKOED-DOMZBBRYSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501875 801540188 /nfs/dbraw/zinc/54/01/88/801540188.db2.gz VXFSOFZFRVKOED-DOMZBBRYSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099084739 801927588 /nfs/dbraw/zinc/92/75/88/801927588.db2.gz FZAOARVVLRBDMR-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099084739 801927594 /nfs/dbraw/zinc/92/75/94/801927594.db2.gz FZAOARVVLRBDMR-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001109059138 802108254 /nfs/dbraw/zinc/10/82/54/802108254.db2.gz WYSSAWSODYGHMO-RZFFKMDDSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001109059138 802108257 /nfs/dbraw/zinc/10/82/57/802108257.db2.gz WYSSAWSODYGHMO-RZFFKMDDSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)CC)C2 ZINC001111176808 802156957 /nfs/dbraw/zinc/15/69/57/802156957.db2.gz RZKPRCOIQDWBDV-NGFQHRJXSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)CC)C2 ZINC001111176808 802156960 /nfs/dbraw/zinc/15/69/60/802156960.db2.gz RZKPRCOIQDWBDV-NGFQHRJXSA-N 1 2 298.858 3.287 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC001113524018 802229510 /nfs/dbraw/zinc/22/95/10/802229510.db2.gz XYMJGODPFYSRNS-MRXNPFEDSA-N 1 2 280.456 3.313 20 30 CGEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)nc1 ZINC001116014473 802292370 /nfs/dbraw/zinc/29/23/70/802292370.db2.gz JMILEZOYUXGCTO-UHFFFAOYSA-N 1 2 284.338 3.267 20 30 CGEDLO N#CCCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC001116745310 802405029 /nfs/dbraw/zinc/40/50/29/802405029.db2.gz JCZGIOYSTQRDJH-UHFFFAOYSA-N 1 2 257.362 3.409 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC001117680633 802476804 /nfs/dbraw/zinc/47/68/04/802476804.db2.gz LGURUDRSEMIHGG-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC001117680633 802476807 /nfs/dbraw/zinc/47/68/07/802476807.db2.gz LGURUDRSEMIHGG-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cccc(C#N)n1 ZINC001184462280 810200742 /nfs/dbraw/zinc/20/07/42/810200742.db2.gz JWYQDEXZGLPYTC-UHFFFAOYSA-N 1 2 295.321 3.074 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132252432 803386741 /nfs/dbraw/zinc/38/67/41/803386741.db2.gz FIIKOGVTUMNREX-CHWSQXEVSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132252432 803386737 /nfs/dbraw/zinc/38/67/37/803386737.db2.gz FIIKOGVTUMNREX-CHWSQXEVSA-N 1 2 286.847 3.144 20 30 CGEDLO CCc1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1C#N ZINC001244953895 803590638 /nfs/dbraw/zinc/59/06/38/803590638.db2.gz HWVDXDWXUVNZQT-UHFFFAOYSA-N 1 2 263.344 3.183 20 30 CGEDLO CC[N@H+](CCC#N)Cc1[nH]c2ccc(F)cc2c1C ZINC001138413493 803921676 /nfs/dbraw/zinc/92/16/76/803921676.db2.gz UPTVKKCUWLKMON-UHFFFAOYSA-N 1 2 259.328 3.351 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1[nH]c2ccc(F)cc2c1C ZINC001138413493 803921679 /nfs/dbraw/zinc/92/16/79/803921679.db2.gz UPTVKKCUWLKMON-UHFFFAOYSA-N 1 2 259.328 3.351 20 30 CGEDLO COc1c(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001138425321 803929586 /nfs/dbraw/zinc/92/95/86/803929586.db2.gz NZHQGBCMQOGAPU-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001138425321 803929592 /nfs/dbraw/zinc/92/95/92/803929592.db2.gz NZHQGBCMQOGAPU-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C=CCN1CC[NH+](Cc2c(Cl)[nH]c3ccccc32)CC1 ZINC001138685988 804003827 /nfs/dbraw/zinc/00/38/27/804003827.db2.gz BQJUYYHRPDLANY-UHFFFAOYSA-N 1 2 289.810 3.125 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001139030768 804114963 /nfs/dbraw/zinc/11/49/63/804114963.db2.gz TVYPYPNYICUUSW-UHFFFAOYSA-N 1 2 273.376 3.052 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001139030768 804114965 /nfs/dbraw/zinc/11/49/65/804114965.db2.gz TVYPYPNYICUUSW-UHFFFAOYSA-N 1 2 273.376 3.052 20 30 CGEDLO C#CC1CC[NH+](Cc2c(F)cc(Cl)cc2F)CC1 ZINC001139053412 804118333 /nfs/dbraw/zinc/11/83/33/804118333.db2.gz FEGZMVSYTRSFLU-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001139355957 804181863 /nfs/dbraw/zinc/18/18/63/804181863.db2.gz CPVRZDRSRDIFAS-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519012 804199276 /nfs/dbraw/zinc/19/92/76/804199276.db2.gz KEHLUVAAMPAIIN-CQSZACIVSA-N 1 2 263.344 3.094 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519012 804199282 /nfs/dbraw/zinc/19/92/82/804199282.db2.gz KEHLUVAAMPAIIN-CQSZACIVSA-N 1 2 263.344 3.094 20 30 CGEDLO N#CCC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691064 804256750 /nfs/dbraw/zinc/25/67/50/804256750.db2.gz QPBTURHHEVOQDE-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO C=CC[N@H+](Cc1c(O)cc(F)cc1F)C(C)(C)C ZINC001140586024 804468148 /nfs/dbraw/zinc/46/81/48/804468148.db2.gz ZLUBWMXHZDYNAV-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO C=CC[N@@H+](Cc1c(O)cc(F)cc1F)C(C)(C)C ZINC001140586024 804468149 /nfs/dbraw/zinc/46/81/49/804468149.db2.gz ZLUBWMXHZDYNAV-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076694 804585495 /nfs/dbraw/zinc/58/54/95/804585495.db2.gz ZWTGNVSEEDAYNB-OAHLLOKOSA-N 1 2 295.430 3.121 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076694 804585498 /nfs/dbraw/zinc/58/54/98/804585498.db2.gz ZWTGNVSEEDAYNB-OAHLLOKOSA-N 1 2 295.430 3.121 20 30 CGEDLO N#Cc1ccc2c(C[N@@H+]3CCC(F)(F)[C@@H](F)C3)c[nH]c2c1 ZINC001142911826 804781699 /nfs/dbraw/zinc/78/16/99/804781699.db2.gz KZYGONPXUHFUNT-AWEZNQCLSA-N 1 2 293.292 3.219 20 30 CGEDLO N#Cc1ccc2c(C[N@H+]3CCC(F)(F)[C@@H](F)C3)c[nH]c2c1 ZINC001142911826 804781703 /nfs/dbraw/zinc/78/17/03/804781703.db2.gz KZYGONPXUHFUNT-AWEZNQCLSA-N 1 2 293.292 3.219 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](C(F)F)C2)c1F ZINC001143173144 804813895 /nfs/dbraw/zinc/81/38/95/804813895.db2.gz QJKWYGSKYJGORF-JTQLQIEISA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c1F ZINC001143173144 804813897 /nfs/dbraw/zinc/81/38/97/804813897.db2.gz QJKWYGSKYJGORF-JTQLQIEISA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CF)C2)c1F ZINC001143172887 804814791 /nfs/dbraw/zinc/81/47/91/804814791.db2.gz FOUPOCBNSSFCCH-JTQLQIEISA-N 1 2 268.282 3.018 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CF)C2)c1F ZINC001143172887 804814796 /nfs/dbraw/zinc/81/47/96/804814796.db2.gz FOUPOCBNSSFCCH-JTQLQIEISA-N 1 2 268.282 3.018 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001143394556 804847504 /nfs/dbraw/zinc/84/75/04/804847504.db2.gz HIQLUVAPMGPJLO-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143394556 804847509 /nfs/dbraw/zinc/84/75/09/804847509.db2.gz HIQLUVAPMGPJLO-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C=CCCCCCCCCC(=O)NCCn1cc[nH+]c1 ZINC001144795061 805054938 /nfs/dbraw/zinc/05/49/38/805054938.db2.gz XYQZJYFKERUXIV-UHFFFAOYSA-N 1 2 277.412 3.306 20 30 CGEDLO Cc1oc(Nc2cc[nH+]cc2C(F)(F)F)c(C#N)c1C ZINC001249584320 805182337 /nfs/dbraw/zinc/18/23/37/805182337.db2.gz FDLYJWILEMKKBF-UHFFFAOYSA-N 1 2 281.237 3.347 20 30 CGEDLO Cc1ncccc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC001249691474 805212930 /nfs/dbraw/zinc/21/29/30/805212930.db2.gz KVUVKSQCTMPTEH-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ncccc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC001249691474 805212938 /nfs/dbraw/zinc/21/29/38/805212938.db2.gz KVUVKSQCTMPTEH-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cnccc2C(F)(F)F)c1 ZINC001154903205 805507827 /nfs/dbraw/zinc/50/78/27/805507827.db2.gz GQISLJCSRCCRIV-UHFFFAOYSA-N 1 2 292.264 3.174 20 30 CGEDLO CC(C)(C)C(=[NH2+])Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001155181384 805553385 /nfs/dbraw/zinc/55/33/85/805553385.db2.gz GZHDJRIESZAFNS-UHFFFAOYSA-N 1 2 297.318 3.450 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(Br)cc(F)c1F ZINC001167578071 807207870 /nfs/dbraw/zinc/20/78/70/807207870.db2.gz XHSCQYRTJPKYQT-UHFFFAOYSA-N 1 2 288.135 3.182 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(Br)cc(F)c1F ZINC001167578071 807207875 /nfs/dbraw/zinc/20/78/75/807207875.db2.gz XHSCQYRTJPKYQT-UHFFFAOYSA-N 1 2 288.135 3.182 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)OC ZINC001168170081 807331934 /nfs/dbraw/zinc/33/19/34/807331934.db2.gz HIIBYCHNUMPFMX-MLGOLLRUSA-N 1 2 295.810 3.368 20 30 CGEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258520819 807484158 /nfs/dbraw/zinc/48/41/58/807484158.db2.gz MRIVIYYTWXBQAO-HNNXBMFYSA-N 1 2 294.439 3.226 20 30 CGEDLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697856 807552351 /nfs/dbraw/zinc/55/23/51/807552351.db2.gz SPADDAXGQCIBDH-MRVWCRGKSA-N 1 2 279.449 3.475 20 30 CGEDLO C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697856 807552353 /nfs/dbraw/zinc/55/23/53/807552353.db2.gz SPADDAXGQCIBDH-MRVWCRGKSA-N 1 2 279.449 3.475 20 30 CGEDLO C=CCC[C@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001258734309 807580633 /nfs/dbraw/zinc/58/06/33/807580633.db2.gz WMPKPABYNIQPTG-VHSXEESVSA-N 1 2 288.317 3.028 20 30 CGEDLO C=CCC[C@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001258734309 807580634 /nfs/dbraw/zinc/58/06/34/807580634.db2.gz WMPKPABYNIQPTG-VHSXEESVSA-N 1 2 288.317 3.028 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(OC)cc1Br ZINC001169243438 807612313 /nfs/dbraw/zinc/61/23/13/807612313.db2.gz OQKPWVYDZXLLSP-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(OC)cc1Br ZINC001169243438 807612317 /nfs/dbraw/zinc/61/23/17/807612317.db2.gz OQKPWVYDZXLLSP-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO CC(C)(C#N)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169275223 807620708 /nfs/dbraw/zinc/62/07/08/807620708.db2.gz OURXFSUHDKAADX-UHFFFAOYSA-N 1 2 286.375 3.046 20 30 CGEDLO COc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)c(C#N)c1 ZINC001212782527 815135738 /nfs/dbraw/zinc/13/57/38/815135738.db2.gz BTHBHHXQRRAKHD-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@H](C)c1cnccn1 ZINC001169526105 807655376 /nfs/dbraw/zinc/65/53/76/807655376.db2.gz LSYPXZONAXSDHO-GFCCVEGCSA-N 1 2 254.337 3.082 20 30 CGEDLO Cc1ccc2c(cccc2[NH+]=C(NO)c2ccccc2N)n1 ZINC001212797758 815141907 /nfs/dbraw/zinc/14/19/07/815141907.db2.gz IKYADGJSOPXWAM-UHFFFAOYSA-N 1 2 292.342 3.183 20 30 CGEDLO CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170079165 807748904 /nfs/dbraw/zinc/74/89/04/807748904.db2.gz YAGASDWVSQUQTG-GXTWGEPZSA-N 1 2 267.438 3.475 20 30 CGEDLO CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170079165 807748907 /nfs/dbraw/zinc/74/89/07/807748907.db2.gz YAGASDWVSQUQTG-GXTWGEPZSA-N 1 2 267.438 3.475 20 30 CGEDLO Cc1cc(NCc2ccc(C#N)c(F)c2)c[nH+]c1C ZINC001170094241 807757044 /nfs/dbraw/zinc/75/70/44/807757044.db2.gz LEFCBZNXNDDUBX-UHFFFAOYSA-N 1 2 255.296 3.321 20 30 CGEDLO CCCC[N@H+](CC#N)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170449423 807845858 /nfs/dbraw/zinc/84/58/58/807845858.db2.gz MLZSHZMPOFSSLC-HNNXBMFYSA-N 1 2 288.391 3.362 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170449423 807845867 /nfs/dbraw/zinc/84/58/67/807845867.db2.gz MLZSHZMPOFSSLC-HNNXBMFYSA-N 1 2 288.391 3.362 20 30 CGEDLO CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172404126 808292446 /nfs/dbraw/zinc/29/24/46/808292446.db2.gz YXBRCFVTDPGAHS-CHWSQXEVSA-N 1 2 253.411 3.085 20 30 CGEDLO CC[C@H](CC(C)C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172404126 808292447 /nfs/dbraw/zinc/29/24/47/808292447.db2.gz YXBRCFVTDPGAHS-CHWSQXEVSA-N 1 2 253.411 3.085 20 30 CGEDLO CCCCCCC[C@H](CCC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001172508129 808363507 /nfs/dbraw/zinc/36/35/07/808363507.db2.gz GOOOIXZHJFELIC-QLFBSQMISA-N 1 2 287.444 3.028 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172554696 808383622 /nfs/dbraw/zinc/38/36/22/808383622.db2.gz ZWYRGSGJZBNOFV-OWCLPIDISA-N 1 2 273.376 3.030 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772510 808487903 /nfs/dbraw/zinc/48/79/03/808487903.db2.gz VGNFHMUEPCSBJJ-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772510 808487906 /nfs/dbraw/zinc/48/79/06/808487906.db2.gz VGNFHMUEPCSBJJ-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173117640 808515547 /nfs/dbraw/zinc/51/55/47/808515547.db2.gz QGVZYNAJWNIECN-AWEZNQCLSA-N 1 2 299.480 3.331 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001269221800 808657799 /nfs/dbraw/zinc/65/77/99/808657799.db2.gz PDYQMUNOKBOVSC-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001269221800 808657804 /nfs/dbraw/zinc/65/78/04/808657804.db2.gz PDYQMUNOKBOVSC-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO Cc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cnc1C#N ZINC001213086793 815229919 /nfs/dbraw/zinc/22/99/19/815229919.db2.gz AJOBIJCWJIOCDE-UHFFFAOYSA-N 1 2 275.315 3.395 20 30 CGEDLO Cc1cc(O)c[nH+]c1Nc1ccc(Cl)c(C#N)c1 ZINC001174400102 808997611 /nfs/dbraw/zinc/99/76/11/808997611.db2.gz IEMJEAURAZHTER-UHFFFAOYSA-N 1 2 259.696 3.364 20 30 CGEDLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cnc1C#N ZINC001174522886 809061274 /nfs/dbraw/zinc/06/12/74/809061274.db2.gz RRSBUEIKUXHYJJ-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO Cc1cnc(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522819 809061302 /nfs/dbraw/zinc/06/13/02/809061302.db2.gz QUUUAVRZLUBPSE-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO N#Cc1ccc(Nc2[nH+]cccc2C2CC2)c(N)c1 ZINC001213353871 815268788 /nfs/dbraw/zinc/26/87/88/815268788.db2.gz NNYQSXHZRQKZMW-UHFFFAOYSA-N 1 2 250.305 3.156 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H](C)C2CCCC2)C1 ZINC001282740058 809261915 /nfs/dbraw/zinc/26/19/15/809261915.db2.gz LGQZLQHKUQZFAQ-OLZOCXBDSA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cnc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175349929 809372879 /nfs/dbraw/zinc/37/28/79/809372879.db2.gz QPUNDPITLDIHPG-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(Cl)c(F)c1C#N ZINC001176125068 809629810 /nfs/dbraw/zinc/62/98/10/809629810.db2.gz YNJHJPMUJMRGJB-UHFFFAOYSA-N 1 2 277.686 3.498 20 30 CGEDLO C=CCn1cc(Nc2ccc[nH+]c2N2CCCCC2)cn1 ZINC001176544199 809713462 /nfs/dbraw/zinc/71/34/62/809713462.db2.gz ZYIQMWXZOYBNML-UHFFFAOYSA-N 1 2 283.379 3.198 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1cccc(C)c1)C(=O)OC ZINC001183326940 810145145 /nfs/dbraw/zinc/14/51/45/810145145.db2.gz ZHYOHFMOMJBRCG-GDBMZVCRSA-N 1 2 275.392 3.023 20 30 CGEDLO CCc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1C#N ZINC001197261315 811408900 /nfs/dbraw/zinc/40/89/00/811408900.db2.gz PZKLECLJXYFRJH-UHFFFAOYSA-N 1 2 290.326 3.021 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccnc(Cl)c1 ZINC001198194175 811483462 /nfs/dbraw/zinc/48/34/62/811483462.db2.gz ANUQBPBDNKJAQR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccnc(Cl)c1 ZINC001198194175 811483467 /nfs/dbraw/zinc/48/34/67/811483467.db2.gz ANUQBPBDNKJAQR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO CCCCCCCCCCN1CC[NH+](CCOC)CC1 ZINC001201852616 811972426 /nfs/dbraw/zinc/97/24/26/811972426.db2.gz DWHOEBBORIGUGP-UHFFFAOYSA-N 1 2 284.488 3.391 20 30 CGEDLO COC(=O)c1ccc(Nc2ccc(C)[nH+]c2C)c(C#N)c1 ZINC001203380163 812334290 /nfs/dbraw/zinc/33/42/90/812334290.db2.gz JPSBAUKUMPBEPZ-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(C)[nH+]c1C ZINC001203380160 812334810 /nfs/dbraw/zinc/33/48/10/812334810.db2.gz JNXNAQPMRPGZSA-UHFFFAOYSA-N 1 2 295.342 3.409 20 30 CGEDLO CCOc1cccc(C[NH2+][C@@H](C)CC#N)c1OC(F)F ZINC001203522526 812382639 /nfs/dbraw/zinc/38/26/39/812382639.db2.gz RNSSGFIHHBEGFH-JTQLQIEISA-N 1 2 284.306 3.078 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C#N)c(F)c1 ZINC001204037624 812529143 /nfs/dbraw/zinc/52/91/43/812529143.db2.gz YKXVRSUTPAINOK-UHFFFAOYSA-N 1 2 257.268 3.235 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204530104 812668036 /nfs/dbraw/zinc/66/80/36/812668036.db2.gz ZURHZPYZCKBCCS-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC001204530104 812668041 /nfs/dbraw/zinc/66/80/41/812668041.db2.gz ZURHZPYZCKBCCS-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#Cc1ccc(F)c(F)c1Nc1ccn2cc[nH+]c2c1 ZINC001204997624 812815313 /nfs/dbraw/zinc/81/53/13/812815313.db2.gz KNMUPOBWTCKIJT-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001205840951 813104500 /nfs/dbraw/zinc/10/45/00/813104500.db2.gz NUBIIZZJXHJXKD-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C#CC[N@@H+](Cc1cc2ccccc2cc1OC)C1CSC1 ZINC001207218133 813517145 /nfs/dbraw/zinc/51/71/45/813517145.db2.gz FVPIFWDWOPLDIX-UHFFFAOYSA-N 1 2 297.423 3.399 20 30 CGEDLO C#CC[N@H+](Cc1cc2ccccc2cc1OC)C1CSC1 ZINC001207218133 813517147 /nfs/dbraw/zinc/51/71/47/813517147.db2.gz FVPIFWDWOPLDIX-UHFFFAOYSA-N 1 2 297.423 3.399 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@H](OC)C1(CC)CC)C(=O)OCC ZINC001207342122 813544571 /nfs/dbraw/zinc/54/45/71/813544571.db2.gz XQGICHALAFBABT-KKUMJFAQSA-N 1 2 297.439 3.068 20 30 CGEDLO CCCC[N@@H+](CC#N)CCCc1ccc(OC)cc1 ZINC001207586290 813602752 /nfs/dbraw/zinc/60/27/52/813602752.db2.gz ZYRCBGZKWOACLO-UHFFFAOYSA-N 1 2 260.381 3.253 20 30 CGEDLO CCCC[N@H+](CC#N)CCCc1ccc(OC)cc1 ZINC001207586290 813602757 /nfs/dbraw/zinc/60/27/57/813602757.db2.gz ZYRCBGZKWOACLO-UHFFFAOYSA-N 1 2 260.381 3.253 20 30 CGEDLO C#CCCCCCC[NH2+][C@@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001207666437 813630974 /nfs/dbraw/zinc/63/09/74/813630974.db2.gz ZJFAVSODFHSVGG-JTQLQIEISA-N 1 2 288.317 3.058 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001208118160 813695680 /nfs/dbraw/zinc/69/56/80/813695680.db2.gz DZCLQVGKFJUMCW-BOLDSZDNSA-N 1 2 287.469 3.022 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001208118160 813695689 /nfs/dbraw/zinc/69/56/89/813695689.db2.gz DZCLQVGKFJUMCW-BOLDSZDNSA-N 1 2 287.469 3.022 20 30 CGEDLO N#Cc1ccc(CCC[N@H+]2CCCC(F)(F)C2)cc1 ZINC001208860832 813872799 /nfs/dbraw/zinc/87/27/99/813872799.db2.gz SXUYCJUHWNMERC-UHFFFAOYSA-N 1 2 264.319 3.222 20 30 CGEDLO N#Cc1ccc(CCC[N@@H+]2CCCC(F)(F)C2)cc1 ZINC001208860832 813872810 /nfs/dbraw/zinc/87/28/10/813872810.db2.gz SXUYCJUHWNMERC-UHFFFAOYSA-N 1 2 264.319 3.222 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC=CO1 ZINC001208873939 813876641 /nfs/dbraw/zinc/87/66/41/813876641.db2.gz OFTLIXZNJHXHPL-MRXNPFEDSA-N 1 2 256.349 3.095 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@H]1CCC=CO1 ZINC001208873939 813876648 /nfs/dbraw/zinc/87/66/48/813876648.db2.gz OFTLIXZNJHXHPL-MRXNPFEDSA-N 1 2 256.349 3.095 20 30 CGEDLO COc1cc(C#N)ccc1Nc1[nH+]c2ccccc2n1C ZINC001209259518 813986275 /nfs/dbraw/zinc/98/62/75/813986275.db2.gz CCPUYJSSIQXHOX-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO C[N@H+](CCC#N)CCc1ccccc1C(F)(F)F ZINC001209279996 813991609 /nfs/dbraw/zinc/99/16/09/813991609.db2.gz JIFIPCKMDCSTGE-UHFFFAOYSA-N 1 2 256.271 3.093 20 30 CGEDLO C[N@@H+](CCC#N)CCc1ccccc1C(F)(F)F ZINC001209279996 813991613 /nfs/dbraw/zinc/99/16/13/813991613.db2.gz JIFIPCKMDCSTGE-UHFFFAOYSA-N 1 2 256.271 3.093 20 30 CGEDLO C=CCCCCCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC001209441183 814041714 /nfs/dbraw/zinc/04/17/14/814041714.db2.gz UVOLHDACVZILEP-CQSZACIVSA-N 1 2 285.453 3.103 20 30 CGEDLO C=CCCCCCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC001209441183 814041722 /nfs/dbraw/zinc/04/17/22/814041722.db2.gz UVOLHDACVZILEP-CQSZACIVSA-N 1 2 285.453 3.103 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209658493 814108368 /nfs/dbraw/zinc/10/83/68/814108368.db2.gz BPWJVULRHOOHAG-SNVBAGLBSA-N 1 2 259.740 3.167 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209658493 814108372 /nfs/dbraw/zinc/10/83/72/814108372.db2.gz BPWJVULRHOOHAG-SNVBAGLBSA-N 1 2 259.740 3.167 20 30 CGEDLO Cc1oc(Nc2ccc3[nH]c[nH+]c3c2)c(C#N)c1C ZINC001209844984 814161156 /nfs/dbraw/zinc/16/11/56/814161156.db2.gz TVRMVTCEXJLTCS-UHFFFAOYSA-N 1 2 252.277 3.388 20 30 CGEDLO N#Cc1ncc(F)cc1Nc1cccc2cc[nH+]cc21 ZINC001210225580 814352435 /nfs/dbraw/zinc/35/24/35/814352435.db2.gz JXXAZNAIQXPYRI-UHFFFAOYSA-N 1 2 264.263 3.384 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(Cl)cc2C#N)cc1N ZINC001210290298 814387977 /nfs/dbraw/zinc/38/79/77/814387977.db2.gz JKKXAHOVYHAUMO-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(C#N)c(C)c1 ZINC001242769016 823127884 /nfs/dbraw/zinc/12/78/84/823127884.db2.gz XQVBDCOOWRHEER-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO COc1cc(Nc2cc(F)c(F)c(C#N)c2F)cc(C)[nH+]1 ZINC001210784587 814627609 /nfs/dbraw/zinc/62/76/09/814627609.db2.gz RNRSZOOIBVKFCW-UHFFFAOYSA-N 1 2 293.248 3.431 20 30 CGEDLO CC(C)(C)C#CC(C#CC(C)(C)C)OCCn1cc[nH+]c1 ZINC001222139799 816358367 /nfs/dbraw/zinc/35/83/67/816358367.db2.gz XHMVSVPTVLNJGS-UHFFFAOYSA-N 1 2 286.419 3.367 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC001231904578 818207895 /nfs/dbraw/zinc/20/78/95/818207895.db2.gz RFWRGDPASOGXQV-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC001231904578 818207904 /nfs/dbraw/zinc/20/79/04/818207904.db2.gz RFWRGDPASOGXQV-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001232679006 818416903 /nfs/dbraw/zinc/41/69/03/818416903.db2.gz YEYPVDSBEHCDBX-MRXNPFEDSA-N 1 2 264.328 3.211 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001232679006 818416908 /nfs/dbraw/zinc/41/69/08/818416908.db2.gz YEYPVDSBEHCDBX-MRXNPFEDSA-N 1 2 264.328 3.211 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC001232674743 818417675 /nfs/dbraw/zinc/41/76/75/818417675.db2.gz CZNZJRBRWRPYJV-UHFFFAOYSA-N 1 2 284.281 3.038 20 30 CGEDLO CCCC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679471 818417727 /nfs/dbraw/zinc/41/77/27/818417727.db2.gz MNHWCKACDQBNFX-UHFFFAOYSA-N 1 2 258.365 3.276 20 30 CGEDLO C=CC[N@@H+](Cc1cn(CCC)cn1)Cc1ccccc1 ZINC001232803791 818444727 /nfs/dbraw/zinc/44/47/27/818444727.db2.gz REYMXQFXIRJZHA-UHFFFAOYSA-N 1 2 269.392 3.481 20 30 CGEDLO C=CC[N@H+](Cc1cn(CCC)cn1)Cc1ccccc1 ZINC001232803791 818444731 /nfs/dbraw/zinc/44/47/31/818444731.db2.gz REYMXQFXIRJZHA-UHFFFAOYSA-N 1 2 269.392 3.481 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(C#N)c1 ZINC001232962217 818484422 /nfs/dbraw/zinc/48/44/22/818484422.db2.gz LCEWAMPJYFDKBS-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(C#N)c1 ZINC001232962217 818484425 /nfs/dbraw/zinc/48/44/25/818484425.db2.gz LCEWAMPJYFDKBS-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO Cc1ccnc(C[N@@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001235586789 819124460 /nfs/dbraw/zinc/12/44/60/819124460.db2.gz WGGXPUITRPADNG-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccnc(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001235586789 819124464 /nfs/dbraw/zinc/12/44/64/819124464.db2.gz WGGXPUITRPADNG-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO CCc1cc(-c2ccc(N)[nH+]c2)cc(CC)c1C#N ZINC001236315201 819420550 /nfs/dbraw/zinc/42/05/50/819420550.db2.gz FUSQSPRXPYJYNX-UHFFFAOYSA-N 1 2 251.333 3.327 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(Br)c(O)c1 ZINC001236688214 819571578 /nfs/dbraw/zinc/57/15/78/819571578.db2.gz SZDMEVSWYCMJKW-UHFFFAOYSA-N 1 2 297.196 3.280 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(Br)c(O)c1 ZINC001236688214 819571585 /nfs/dbraw/zinc/57/15/85/819571585.db2.gz SZDMEVSWYCMJKW-UHFFFAOYSA-N 1 2 297.196 3.280 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(O)cc(F)c1)C1CCCC1 ZINC001237279356 819715186 /nfs/dbraw/zinc/71/51/86/819715186.db2.gz PMWDQIPZNGWTFJ-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO N#CCC[N@H+](Cc1cc(O)cc(F)c1)C1CCCC1 ZINC001237279356 819715188 /nfs/dbraw/zinc/71/51/88/819715188.db2.gz PMWDQIPZNGWTFJ-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1C(F)F ZINC001237278768 819716065 /nfs/dbraw/zinc/71/60/65/819716065.db2.gz BUDQRRWLZOXIQC-HNNXBMFYSA-N 1 2 280.318 3.368 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1C(F)F ZINC001237278768 819716069 /nfs/dbraw/zinc/71/60/69/819716069.db2.gz BUDQRRWLZOXIQC-HNNXBMFYSA-N 1 2 280.318 3.368 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccccc1NC(C)=O ZINC001237408706 819747160 /nfs/dbraw/zinc/74/71/60/819747160.db2.gz BDAKEPBNYYIKDW-UHFFFAOYSA-N 1 2 273.380 3.161 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccccc1NC(C)=O ZINC001237408706 819747163 /nfs/dbraw/zinc/74/71/63/819747163.db2.gz BDAKEPBNYYIKDW-UHFFFAOYSA-N 1 2 273.380 3.161 20 30 CGEDLO Cc1nc(C[N@H+](CCC#N)C2CCCC2)ccc1F ZINC001237818982 819851115 /nfs/dbraw/zinc/85/11/15/819851115.db2.gz ZCJCFJBHJYHWDY-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO Cc1nc(C[N@@H+](CCC#N)C2CCCC2)ccc1F ZINC001237818982 819851123 /nfs/dbraw/zinc/85/11/23/819851123.db2.gz ZCJCFJBHJYHWDY-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cnc1-c1ccccc1 ZINC001238614803 820060399 /nfs/dbraw/zinc/06/03/99/820060399.db2.gz LPDMBFCWSNKBFC-HNNXBMFYSA-N 1 2 277.371 3.403 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cnc1-c1ccccc1 ZINC001238614803 820060391 /nfs/dbraw/zinc/06/03/91/820060391.db2.gz LPDMBFCWSNKBFC-HNNXBMFYSA-N 1 2 277.371 3.403 20 30 CGEDLO N#Cc1cc(C(F)(F)F)ccc1-c1cc[nH+]c(N)c1 ZINC001238843465 820131779 /nfs/dbraw/zinc/13/17/79/820131779.db2.gz WDQKGUJTZILQSL-UHFFFAOYSA-N 1 2 263.222 3.221 20 30 CGEDLO Cc1nc(-c2ccc3[nH+]ccn3c2)c(C#N)c(C)c1C ZINC001240217762 820889725 /nfs/dbraw/zinc/88/97/25/820889725.db2.gz VTGYDBJRYULSHF-UHFFFAOYSA-N 1 2 262.316 3.193 20 30 CGEDLO N#Cc1cnc(-c2ccn3cc[nH+]c3c2)c2sccc21 ZINC001240504077 821101485 /nfs/dbraw/zinc/10/14/85/821101485.db2.gz XQTCYOVUBSWJTN-UHFFFAOYSA-N 1 2 276.324 3.483 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(O)cc2)cc1C#N ZINC001241063875 821533131 /nfs/dbraw/zinc/53/31/31/821533131.db2.gz DPHHZGZNNVYYLQ-WOJGMQOQSA-N 1 2 265.316 3.152 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)c(C#N)c1F ZINC001241250042 821671240 /nfs/dbraw/zinc/67/12/40/821671240.db2.gz DTSUWELILBYUKB-UHFFFAOYSA-N 1 2 273.286 3.273 20 30 CGEDLO Cc1c(-c2cc(F)cc(C#N)c2)ccc2[nH+]ccn21 ZINC001241659864 822035983 /nfs/dbraw/zinc/03/59/83/822035983.db2.gz BAIVWLASHTWDEP-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1nc(C(C)C)ccc1C#N ZINC001242070983 822329337 /nfs/dbraw/zinc/32/93/37/822329337.db2.gz PZDUNGIDEGYTPI-UHFFFAOYSA-N 1 2 252.321 3.029 20 30 CGEDLO N#Cc1ccc(Cl)cc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001339471944 936373675 /nfs/dbraw/zinc/37/36/75/936373675.db2.gz JOILCSVPFUGZHZ-UHFFFAOYSA-N 1 2 286.766 3.319 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1(C)CCCCCC1 ZINC001480876011 926706667 /nfs/dbraw/zinc/70/66/67/926706667.db2.gz PZJQWNPUTCEGRU-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1(C)CCCCCC1 ZINC001480876011 926706682 /nfs/dbraw/zinc/70/66/82/926706682.db2.gz PZJQWNPUTCEGRU-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(C)c(C#N)c2)c(C)[nH+]1 ZINC001357672060 937177183 /nfs/dbraw/zinc/17/71/83/937177183.db2.gz HNVITWZJNCJEFR-UHFFFAOYSA-N 1 2 279.343 3.439 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001486182011 927996619 /nfs/dbraw/zinc/99/66/19/927996619.db2.gz WJQOSEUBOJFAJD-PPHUUTPLSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001486182011 927996623 /nfs/dbraw/zinc/99/66/23/927996623.db2.gz WJQOSEUBOJFAJD-PPHUUTPLSA-N 1 2 296.842 3.230 20 30 CGEDLO N#CC12CCC(Nc3ccn4cc[nH+]c4c3)(CC1)CC2 ZINC001169750513 928098802 /nfs/dbraw/zinc/09/88/02/928098802.db2.gz DEWIUAARGMQMFY-UHFFFAOYSA-N 1 2 266.348 3.363 20 30 CGEDLO CC#Cc1cncc(-c2cccc(C(=[NH2+])OCC)c2)c1 ZINC001242940601 928110660 /nfs/dbraw/zinc/11/06/60/928110660.db2.gz OTQZCDFXCWEDKA-UHFFFAOYSA-N 1 2 264.328 3.482 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)CCCC1 ZINC001456345188 937430025 /nfs/dbraw/zinc/43/00/25/937430025.db2.gz NBYJYWWOYVKADR-UHFFFAOYSA-N 1 2 275.396 3.286 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)CCCC1 ZINC001456345188 937430028 /nfs/dbraw/zinc/43/00/28/937430028.db2.gz NBYJYWWOYVKADR-UHFFFAOYSA-N 1 2 275.396 3.286 20 30 CGEDLO N#Cc1cccc(CNc2nc3ccccc3n3c[nH+]cc23)c1 ZINC001458092924 937451130 /nfs/dbraw/zinc/45/11/30/937451130.db2.gz CQROZJLDHUYIHN-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001460751692 937543597 /nfs/dbraw/zinc/54/35/97/937543597.db2.gz ULRJBFUMJISULH-LBPRGKRZSA-N 1 2 298.308 3.320 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001460751692 937543598 /nfs/dbraw/zinc/54/35/98/937543598.db2.gz ULRJBFUMJISULH-LBPRGKRZSA-N 1 2 298.308 3.320 20 30 CGEDLO C#CC[N@H+](Cc1cc(C#N)ccc1Br)C(C)C ZINC001460820009 937546433 /nfs/dbraw/zinc/54/64/33/937546433.db2.gz WMMZXEUHWLMBSR-UHFFFAOYSA-N 1 2 291.192 3.164 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C#N)ccc1Br)C(C)C ZINC001460820009 937546434 /nfs/dbraw/zinc/54/64/34/937546434.db2.gz WMMZXEUHWLMBSR-UHFFFAOYSA-N 1 2 291.192 3.164 20 30 CGEDLO Cc1cc(C#N)cc(C)c1CNc1ccc(N(C)C)c[nH+]1 ZINC001461309641 937575363 /nfs/dbraw/zinc/57/53/63/937575363.db2.gz SZEZQOVGOAWRCT-UHFFFAOYSA-N 1 2 280.375 3.248 20 30 CGEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccccc1F ZINC001461940431 937607553 /nfs/dbraw/zinc/60/75/53/937607553.db2.gz AUSGEKGFXFPPPA-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1F ZINC001461940431 937607554 /nfs/dbraw/zinc/60/75/54/937607554.db2.gz AUSGEKGFXFPPPA-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC001307744687 932995449 /nfs/dbraw/zinc/99/54/49/932995449.db2.gz AFMPCVGQKYCQCZ-SJORKVTESA-N 1 2 287.403 3.156 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC001307744687 932995456 /nfs/dbraw/zinc/99/54/56/932995456.db2.gz AFMPCVGQKYCQCZ-SJORKVTESA-N 1 2 287.403 3.156 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001308646971 933149634 /nfs/dbraw/zinc/14/96/34/933149634.db2.gz ANRUJIHPFLLREE-UHFFFAOYSA-N 1 2 299.340 3.412 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1c(Cl)ncn1CC ZINC001308726363 933165729 /nfs/dbraw/zinc/16/57/29/933165729.db2.gz FUMZQDHLJCWTNK-NSHDSACASA-N 1 2 253.777 3.097 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1c(Cl)ncn1CC ZINC001308726363 933165735 /nfs/dbraw/zinc/16/57/35/933165735.db2.gz FUMZQDHLJCWTNK-NSHDSACASA-N 1 2 253.777 3.097 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC1CCC1 ZINC001317169138 933544849 /nfs/dbraw/zinc/54/48/49/933544849.db2.gz FYUIXVUMPZYGQR-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CCC1CCC1 ZINC001317169138 933544858 /nfs/dbraw/zinc/54/48/58/933544858.db2.gz FYUIXVUMPZYGQR-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001317507340 933608250 /nfs/dbraw/zinc/60/82/50/933608250.db2.gz BPOBIWRXDBCAOV-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001317507340 933608257 /nfs/dbraw/zinc/60/82/57/933608257.db2.gz BPOBIWRXDBCAOV-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001317550421 933617800 /nfs/dbraw/zinc/61/78/00/933617800.db2.gz DGSSCBPKPOXALB-UHFFFAOYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001317550421 933617804 /nfs/dbraw/zinc/61/78/04/933617804.db2.gz DGSSCBPKPOXALB-UHFFFAOYSA-N 1 2 296.842 3.210 20 30 CGEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H](C#N)CCC#N ZINC001319015216 933811220 /nfs/dbraw/zinc/81/12/20/933811220.db2.gz PAMGIUKTMDPEAG-CYBMUJFWSA-N 1 2 266.348 3.043 20 30 CGEDLO C[N@H+](Cc1cc2ccccc2[nH]1)C[C@@H](C#N)CCC#N ZINC001319015216 933811223 /nfs/dbraw/zinc/81/12/23/933811223.db2.gz PAMGIUKTMDPEAG-CYBMUJFWSA-N 1 2 266.348 3.043 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](CC)Cc1cccs1)C(=O)OCC ZINC001320905052 934121775 /nfs/dbraw/zinc/12/17/75/934121775.db2.gz GOTFPCXYNUDNGG-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](CC)Cc1ccccc1)C(=O)OCC ZINC001321965923 934227475 /nfs/dbraw/zinc/22/74/75/934227475.db2.gz GFHGGRKSVUEYRL-CVEARBPZSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CC[C@@H]([NH2+]CCc1ccc(F)cc1Cl)C(=O)OCC ZINC001323935997 934441101 /nfs/dbraw/zinc/44/11/01/934441101.db2.gz MXDFJKGVNGNSAK-CQSZACIVSA-N 1 2 299.773 3.119 20 30 CGEDLO CC#CCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001325771264 934928734 /nfs/dbraw/zinc/92/87/34/934928734.db2.gz WLSGWLKOHRKPFY-UHFFFAOYSA-N 1 2 289.444 3.165 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccc(C)cc1)C(=O)OCC ZINC001326380540 934975993 /nfs/dbraw/zinc/97/59/93/934975993.db2.gz IBZSJXHWYQGRJO-NVXWUHKLSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CCC ZINC001329588949 935231038 /nfs/dbraw/zinc/23/10/38/935231038.db2.gz QBJHRYUEQSDRBC-STQMWFEESA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CCC ZINC001329588949 935231043 /nfs/dbraw/zinc/23/10/43/935231043.db2.gz QBJHRYUEQSDRBC-STQMWFEESA-N 1 2 274.836 3.002 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487484 935540398 /nfs/dbraw/zinc/54/03/98/935540398.db2.gz IANOSOHEIKPEOZ-GJZGRUSLSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487484 935540403 /nfs/dbraw/zinc/54/04/03/935540403.db2.gz IANOSOHEIKPEOZ-GJZGRUSLSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487484 935540407 /nfs/dbraw/zinc/54/04/07/935540407.db2.gz IANOSOHEIKPEOZ-GJZGRUSLSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487484 935540414 /nfs/dbraw/zinc/54/04/14/935540414.db2.gz IANOSOHEIKPEOZ-GJZGRUSLSA-N 1 2 299.422 3.156 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1OCC(C)C ZINC001474369213 937854724 /nfs/dbraw/zinc/85/47/24/937854724.db2.gz HVFRYNZOWKCMBW-UHFFFAOYSA-N 1 2 269.388 3.180 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccccc1OCC(C)C ZINC001474369213 937854726 /nfs/dbraw/zinc/85/47/26/937854726.db2.gz HVFRYNZOWKCMBW-UHFFFAOYSA-N 1 2 269.388 3.180 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2cn(C3CC3)cn2)C2CC2)cc1 ZINC001474389168 937856847 /nfs/dbraw/zinc/85/68/47/937856847.db2.gz HXJOMDMWOWXBMG-UHFFFAOYSA-N 1 2 292.386 3.254 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2cn(C3CC3)cn2)C2CC2)cc1 ZINC001474389168 937856849 /nfs/dbraw/zinc/85/68/49/937856849.db2.gz HXJOMDMWOWXBMG-UHFFFAOYSA-N 1 2 292.386 3.254 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCCCC)C1 ZINC001494329266 937954391 /nfs/dbraw/zinc/95/43/91/937954391.db2.gz FTJJGFGHRZQHSR-AWEZNQCLSA-N 1 2 286.847 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCCCC)C1 ZINC001494329266 937954392 /nfs/dbraw/zinc/95/43/92/937954392.db2.gz FTJJGFGHRZQHSR-AWEZNQCLSA-N 1 2 286.847 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)CC(C)C ZINC001496819593 937964383 /nfs/dbraw/zinc/96/43/83/937964383.db2.gz MTVBCDGANGDKJI-CQSZACIVSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](CC)CC(C)C ZINC001496819593 937964384 /nfs/dbraw/zinc/96/43/84/937964384.db2.gz MTVBCDGANGDKJI-CQSZACIVSA-N 1 2 288.863 3.201 20 30 CGEDLO C=Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)CC(=C)Cl)cc1 ZINC001506006574 937988523 /nfs/dbraw/zinc/98/85/23/937988523.db2.gz ZSRPVDGIJFACHJ-CYBMUJFWSA-N 1 2 292.810 3.132 20 30 CGEDLO C=Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)CC(=C)Cl)cc1 ZINC001506006574 937988524 /nfs/dbraw/zinc/98/85/24/937988524.db2.gz ZSRPVDGIJFACHJ-CYBMUJFWSA-N 1 2 292.810 3.132 20 30 CGEDLO C=C(CC(C)C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001520779916 938027777 /nfs/dbraw/zinc/02/77/77/938027777.db2.gz IMYMFGJSXKISKD-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO C=C(CC(C)C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC001521502896 938032328 /nfs/dbraw/zinc/03/23/28/938032328.db2.gz USIVAHLEJUJNRK-UHFFFAOYSA-N 1 2 291.439 3.286 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C)C(=O)OCC ZINC001560808657 938277054 /nfs/dbraw/zinc/27/70/54/938277054.db2.gz MUGATTNBTVQUJY-RRFJBIMHSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1sc(N2CCCC2)nc1Cl ZINC001560939411 938285244 /nfs/dbraw/zinc/28/52/44/938285244.db2.gz HGRKQAMVSXULJX-UHFFFAOYSA-N 1 2 285.844 3.405 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1sc(N2CCCC2)nc1Cl ZINC001560939411 938285245 /nfs/dbraw/zinc/28/52/45/938285245.db2.gz HGRKQAMVSXULJX-UHFFFAOYSA-N 1 2 285.844 3.405 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(CC(C)C)CC(C)C)C1 ZINC001569508186 961788326 /nfs/dbraw/zinc/78/83/26/961788326.db2.gz STUCFAOZIOVSIY-UHFFFAOYSA-N 1 2 294.483 3.414 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2(CC)CCC2)CC1 ZINC001571693158 962211159 /nfs/dbraw/zinc/21/11/59/962211159.db2.gz PHMFMLGYUXVDHR-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2(CC)CCC2)CC1 ZINC001571693158 962211181 /nfs/dbraw/zinc/21/11/81/962211181.db2.gz PHMFMLGYUXVDHR-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C#CC[C@@]1(C(=O)Oc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC001574525770 962308601 /nfs/dbraw/zinc/30/86/01/962308601.db2.gz RXGKIRCPCLEACI-AWEZNQCLSA-N 1 2 298.169 3.044 20 30 CGEDLO COc1cc(C)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590649124 346859450 /nfs/dbraw/zinc/85/94/50/346859450.db2.gz WINWSDXERVLWJL-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cc(C)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590649124 346859452 /nfs/dbraw/zinc/85/94/52/346859452.db2.gz WINWSDXERVLWJL-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO CC1(CC(F)F)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000592522869 346995608 /nfs/dbraw/zinc/99/56/08/346995608.db2.gz HNHVRZUTVRODFU-UHFFFAOYSA-N 1 2 268.282 3.174 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc2n(n1)CCCC2 ZINC000593016060 347028130 /nfs/dbraw/zinc/02/81/30/347028130.db2.gz FNDDLBFGRDJQLQ-UHFFFAOYSA-N 1 2 288.439 3.371 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc2n(n1)CCCC2 ZINC000593016060 347028133 /nfs/dbraw/zinc/02/81/33/347028133.db2.gz FNDDLBFGRDJQLQ-UHFFFAOYSA-N 1 2 288.439 3.371 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1 ZINC000593020921 347028796 /nfs/dbraw/zinc/02/87/96/347028796.db2.gz HYBXKZVYTKZEGK-SFHVURJKSA-N 1 2 294.402 3.354 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029533311 344918545 /nfs/dbraw/zinc/91/85/45/344918545.db2.gz GKLSHGUTSWOGNX-SFHVURJKSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029533311 344918546 /nfs/dbraw/zinc/91/85/46/344918546.db2.gz GKLSHGUTSWOGNX-SFHVURJKSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1cc(Cl)ccc1NCCCCn1cc[nH+]c1 ZINC000052858199 345108287 /nfs/dbraw/zinc/10/82/87/345108287.db2.gz HDBIDXNMCQFDSZ-UHFFFAOYSA-N 1 2 274.755 3.300 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000072686095 345416429 /nfs/dbraw/zinc/41/64/29/345416429.db2.gz UVKWFADQINWPGV-UHFFFAOYSA-N 1 2 294.782 3.235 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000072686095 345416430 /nfs/dbraw/zinc/41/64/30/345416430.db2.gz UVKWFADQINWPGV-UHFFFAOYSA-N 1 2 294.782 3.235 20 30 CGEDLO Cc1cccn2cc(COc3cccc(C#N)c3)[nH+]c12 ZINC000072810428 345418332 /nfs/dbraw/zinc/41/83/32/345418332.db2.gz KEEKJHIVLUBOQQ-UHFFFAOYSA-N 1 2 263.300 3.093 20 30 CGEDLO CC[N@@H+](Cc1cn(-c2cccc(C)c2)nc1C)C[C@@H](C)C#N ZINC000593569578 347091741 /nfs/dbraw/zinc/09/17/41/347091741.db2.gz MURGEQIXGZMXBK-HNNXBMFYSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[N@H+](Cc1cn(-c2cccc(C)c2)nc1C)C[C@@H](C)C#N ZINC000593569578 347091743 /nfs/dbraw/zinc/09/17/43/347091743.db2.gz MURGEQIXGZMXBK-HNNXBMFYSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@@H](CC)CO1 ZINC000403847390 346598027 /nfs/dbraw/zinc/59/80/27/346598027.db2.gz VJNLMTHNUKJECP-HOTGVXAUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](CC)CO1 ZINC000403847390 346598031 /nfs/dbraw/zinc/59/80/31/346598031.db2.gz VJNLMTHNUKJECP-HOTGVXAUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[N@H+](Cc1occc1C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576164067 346670670 /nfs/dbraw/zinc/67/06/70/346670670.db2.gz KBNLIOZNJVSKHM-UHFFFAOYSA-N 1 2 299.330 3.390 20 30 CGEDLO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576164067 346670673 /nfs/dbraw/zinc/67/06/73/346670673.db2.gz KBNLIOZNJVSKHM-UHFFFAOYSA-N 1 2 299.330 3.390 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1Br ZINC000594006813 347135884 /nfs/dbraw/zinc/13/58/84/347135884.db2.gz NICJNOJJIQBYHU-GFCCVEGCSA-N 1 2 292.180 3.103 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026170 347138954 /nfs/dbraw/zinc/13/89/54/347138954.db2.gz FCQNAULPMOLINU-HNNXBMFYSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026170 347138957 /nfs/dbraw/zinc/13/89/57/347138957.db2.gz FCQNAULPMOLINU-HNNXBMFYSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594035417 347140997 /nfs/dbraw/zinc/14/09/97/347140997.db2.gz LZGVWLCLEOWILJ-UHFFFAOYSA-N 1 2 294.383 3.055 20 30 CGEDLO CCc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594032554 347141022 /nfs/dbraw/zinc/14/10/22/347141022.db2.gz XGOYIYGFDOYMSV-UHFFFAOYSA-N 1 2 281.359 3.278 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000594603699 347201055 /nfs/dbraw/zinc/20/10/55/347201055.db2.gz URMIAVPWWRVBLX-AWEZNQCLSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000594603699 347201059 /nfs/dbraw/zinc/20/10/59/347201059.db2.gz URMIAVPWWRVBLX-AWEZNQCLSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000594610956 347203278 /nfs/dbraw/zinc/20/32/78/347203278.db2.gz IGVITOWIZKNWSQ-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000594610956 347203280 /nfs/dbraw/zinc/20/32/80/347203280.db2.gz IGVITOWIZKNWSQ-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO CCOc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594615185 347204059 /nfs/dbraw/zinc/20/40/59/347204059.db2.gz SUQAIGBGAXOZBB-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO CCOc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594615185 347204060 /nfs/dbraw/zinc/20/40/60/347204060.db2.gz SUQAIGBGAXOZBB-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1oc2ccccc2c1Br ZINC000594613546 347204065 /nfs/dbraw/zinc/20/40/65/347204065.db2.gz VEEVLXJTEWSQJD-VIFPVBQESA-N 1 2 293.164 3.445 20 30 CGEDLO COc1cccc(OC)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980890 347247632 /nfs/dbraw/zinc/24/76/32/347247632.db2.gz CJKNVJSLMROZQB-UHFFFAOYSA-N 1 2 288.391 3.267 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C)nc(C)n1 ZINC000595348560 347294592 /nfs/dbraw/zinc/29/45/92/347294592.db2.gz SSUSWFWWDYBCAB-UHFFFAOYSA-N 1 2 274.412 3.245 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C)nc(C)n1 ZINC000595348560 347294596 /nfs/dbraw/zinc/29/45/96/347294596.db2.gz SSUSWFWWDYBCAB-UHFFFAOYSA-N 1 2 274.412 3.245 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000595614765 347327914 /nfs/dbraw/zinc/32/79/14/347327914.db2.gz NRSYCENJZZTEII-CQSZACIVSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000595614765 347327915 /nfs/dbraw/zinc/32/79/15/347327915.db2.gz NRSYCENJZZTEII-CQSZACIVSA-N 1 2 298.365 3.137 20 30 CGEDLO CC(C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)no1 ZINC000595635916 347331302 /nfs/dbraw/zinc/33/13/02/347331302.db2.gz PGRBZPIBBIOJOL-UHFFFAOYSA-N 1 2 284.363 3.090 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000595680491 347336379 /nfs/dbraw/zinc/33/63/79/347336379.db2.gz HUTXGJLVFQQLFP-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000595680491 347336382 /nfs/dbraw/zinc/33/63/82/347336382.db2.gz HUTXGJLVFQQLFP-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@@H](C#N)[N@H+](CCCc1c(F)cccc1F)C1CC1 ZINC000595710118 347344263 /nfs/dbraw/zinc/34/42/63/347344263.db2.gz LVESRVFLHSNELK-NSHDSACASA-N 1 2 264.319 3.274 20 30 CGEDLO C[C@@H](C#N)[N@@H+](CCCc1c(F)cccc1F)C1CC1 ZINC000595710118 347344265 /nfs/dbraw/zinc/34/42/65/347344265.db2.gz LVESRVFLHSNELK-NSHDSACASA-N 1 2 264.319 3.274 20 30 CGEDLO N#CC1(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000595713747 347345772 /nfs/dbraw/zinc/34/57/72/347345772.db2.gz QJWRHGRLKIGFLZ-UHFFFAOYSA-N 1 2 295.411 3.472 20 30 CGEDLO N#CC1(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000595713747 347345773 /nfs/dbraw/zinc/34/57/73/347345773.db2.gz QJWRHGRLKIGFLZ-UHFFFAOYSA-N 1 2 295.411 3.472 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000595833284 347362442 /nfs/dbraw/zinc/36/24/42/347362442.db2.gz BVTPWEUALCEMGX-MRXNPFEDSA-N 1 2 267.332 3.077 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000595833284 347362444 /nfs/dbraw/zinc/36/24/44/347362444.db2.gz BVTPWEUALCEMGX-MRXNPFEDSA-N 1 2 267.332 3.077 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000595844910 347367404 /nfs/dbraw/zinc/36/74/04/347367404.db2.gz HLKFULZAKOMADR-OWCLPIDISA-N 1 2 289.350 3.223 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000595844910 347367406 /nfs/dbraw/zinc/36/74/06/347367406.db2.gz HLKFULZAKOMADR-OWCLPIDISA-N 1 2 289.350 3.223 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887344 347369822 /nfs/dbraw/zinc/36/98/22/347369822.db2.gz RQOPXBDGIVBWSU-SMDDNHRTSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887344 347369824 /nfs/dbraw/zinc/36/98/24/347369824.db2.gz RQOPXBDGIVBWSU-SMDDNHRTSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595918120 347372686 /nfs/dbraw/zinc/37/26/86/347372686.db2.gz OSMLEMPDXDRMEU-WQGACYEGSA-N 1 2 294.345 3.364 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595918120 347372687 /nfs/dbraw/zinc/37/26/87/347372687.db2.gz OSMLEMPDXDRMEU-WQGACYEGSA-N 1 2 294.345 3.364 20 30 CGEDLO Cc1cccc(CCNc2cc(C)c([N+](=O)[O-])c(C#N)c2)[nH+]1 ZINC000596220805 347400345 /nfs/dbraw/zinc/40/03/45/347400345.db2.gz BKALZSRWMMRUIS-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO CC[N@@H+](Cc1cncc(Br)c1C)C[C@H](C)C#N ZINC000596992412 347525605 /nfs/dbraw/zinc/52/56/05/347525605.db2.gz RWTLWZJLZVGOFI-SNVBAGLBSA-N 1 2 296.212 3.134 20 30 CGEDLO CC[N@H+](Cc1cncc(Br)c1C)C[C@H](C)C#N ZINC000596992412 347525610 /nfs/dbraw/zinc/52/56/10/347525610.db2.gz RWTLWZJLZVGOFI-SNVBAGLBSA-N 1 2 296.212 3.134 20 30 CGEDLO CCOC(=O)c1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000597224022 347556869 /nfs/dbraw/zinc/55/68/69/347556869.db2.gz AZAYSTWGTQRSLO-UHFFFAOYSA-N 1 2 290.363 3.020 20 30 CGEDLO C[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232292 347559960 /nfs/dbraw/zinc/55/99/60/347559960.db2.gz SIBFUYNXOVXJGT-IAQYHMDHSA-N 1 2 264.319 3.304 20 30 CGEDLO C[C@H](C[N@H+]1CC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232292 347559964 /nfs/dbraw/zinc/55/99/64/347559964.db2.gz SIBFUYNXOVXJGT-IAQYHMDHSA-N 1 2 264.319 3.304 20 30 CGEDLO CN(CC(C)(C)C#N)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082139 347715074 /nfs/dbraw/zinc/71/50/74/347715074.db2.gz RALWVNMXLOZFCX-UHFFFAOYSA-N 1 2 284.319 3.129 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@H](C)C1(F)F ZINC000599514820 347749997 /nfs/dbraw/zinc/74/99/97/347749997.db2.gz KXNVRWDDRAYGHO-PHIMTYICSA-N 1 2 282.309 3.420 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@H](C)C1(F)F ZINC000599514820 347750000 /nfs/dbraw/zinc/75/00/00/347750000.db2.gz KXNVRWDDRAYGHO-PHIMTYICSA-N 1 2 282.309 3.420 20 30 CGEDLO N#Cc1ccc(-c2c[nH+]c3n2CCCC3)cc1Cl ZINC000600845872 347840708 /nfs/dbraw/zinc/84/07/08/347840708.db2.gz SHRKGJPZBHANPP-UHFFFAOYSA-N 1 2 257.724 3.411 20 30 CGEDLO N#Cc1cccc(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000601113054 347870800 /nfs/dbraw/zinc/87/08/00/347870800.db2.gz JTOHONYNJNTNCA-OAHLLOKOSA-N 1 2 263.344 3.313 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000601929528 347925248 /nfs/dbraw/zinc/92/52/48/347925248.db2.gz LKAKAICQSPLBOH-VIFPVBQESA-N 1 2 287.310 3.300 20 30 CGEDLO CC[C@H](C)[C@@H](C[N@H+](CCC#N)Cc1ccco1)OC ZINC000602434981 347957412 /nfs/dbraw/zinc/95/74/12/347957412.db2.gz RWUUUBMRPNJABL-DZGCQCFKSA-N 1 2 264.369 3.056 20 30 CGEDLO CC[C@H](C)[C@@H](C[N@@H+](CCC#N)Cc1ccco1)OC ZINC000602434981 347957415 /nfs/dbraw/zinc/95/74/15/347957415.db2.gz RWUUUBMRPNJABL-DZGCQCFKSA-N 1 2 264.369 3.056 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602449189 347960284 /nfs/dbraw/zinc/96/02/84/347960284.db2.gz ORNAXWZWMSJDCK-TZMCWYRMSA-N 1 2 288.395 3.414 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000602449189 347960285 /nfs/dbraw/zinc/96/02/85/347960285.db2.gz ORNAXWZWMSJDCK-TZMCWYRMSA-N 1 2 288.395 3.414 20 30 CGEDLO COCCOc1cc(C)ccc1[NH2+]C[C@@H](C)CCC#N ZINC000602491677 347968886 /nfs/dbraw/zinc/96/88/86/347968886.db2.gz CYFCCHGILYPEKZ-AWEZNQCLSA-N 1 2 276.380 3.372 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]C[C@@H](C)CCC#N ZINC000602495803 347969520 /nfs/dbraw/zinc/96/95/20/347969520.db2.gz XBZGWRPWBLBLAU-AWEZNQCLSA-N 1 2 287.407 3.183 20 30 CGEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2ccsc2)O1 ZINC000602787830 348029043 /nfs/dbraw/zinc/02/90/43/348029043.db2.gz KLKKIOBPMYQIFV-GXTWGEPZSA-N 1 2 276.405 3.204 20 30 CGEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2ccsc2)O1 ZINC000602787830 348029045 /nfs/dbraw/zinc/02/90/45/348029045.db2.gz KLKKIOBPMYQIFV-GXTWGEPZSA-N 1 2 276.405 3.204 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C(=O)OC ZINC000602733002 348020999 /nfs/dbraw/zinc/02/09/99/348020999.db2.gz GIFRSESJDUIBIJ-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO Cc1cc(C)c(C[N@H+](CCC#N)CC2CC2)c(C)n1 ZINC000602778687 348027437 /nfs/dbraw/zinc/02/74/37/348027437.db2.gz NEOYFGHWSUZHNL-UHFFFAOYSA-N 1 2 257.381 3.133 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](CCC#N)CC2CC2)c(C)n1 ZINC000602778687 348027440 /nfs/dbraw/zinc/02/74/40/348027440.db2.gz NEOYFGHWSUZHNL-UHFFFAOYSA-N 1 2 257.381 3.133 20 30 CGEDLO CCc1ccc([C@@H]2C[N@H+](CC3(CC#N)CC3)CCO2)cc1 ZINC000602826027 348034128 /nfs/dbraw/zinc/03/41/28/348034128.db2.gz IPVSLYATAVCSBE-KRWDZBQOSA-N 1 2 284.403 3.316 20 30 CGEDLO CCc1ccc([C@@H]2C[N@@H+](CC3(CC#N)CC3)CCO2)cc1 ZINC000602826027 348034130 /nfs/dbraw/zinc/03/41/30/348034130.db2.gz IPVSLYATAVCSBE-KRWDZBQOSA-N 1 2 284.403 3.316 20 30 CGEDLO COc1cc2c(cc1Cl)C[N@H+](CC1(CC#N)CC1)CC2 ZINC000602834058 348034736 /nfs/dbraw/zinc/03/47/36/348034736.db2.gz ZDUXOLUYJLESTH-UHFFFAOYSA-N 1 2 290.794 3.401 20 30 CGEDLO COc1cc2c(cc1Cl)C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000602834058 348034738 /nfs/dbraw/zinc/03/47/38/348034738.db2.gz ZDUXOLUYJLESTH-UHFFFAOYSA-N 1 2 290.794 3.401 20 30 CGEDLO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c(Cl)c1 ZINC000602860638 348037713 /nfs/dbraw/zinc/03/77/13/348037713.db2.gz DYFXECRGNXBDTB-RYUDHWBXSA-N 1 2 293.798 3.176 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602864169 348038372 /nfs/dbraw/zinc/03/83/72/348038372.db2.gz QGGWPVMOMJOXKC-CHWSQXEVSA-N 1 2 273.380 3.029 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CCF)CC1 ZINC000602948876 348047088 /nfs/dbraw/zinc/04/70/88/348047088.db2.gz WJXZAONMESZGTL-UHFFFAOYSA-N 1 2 291.326 3.038 20 30 CGEDLO Cc1c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976445 348048582 /nfs/dbraw/zinc/04/85/82/348048582.db2.gz PTSYMNNQCQLTEX-IUODEOHRSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976445 348048583 /nfs/dbraw/zinc/04/85/83/348048583.db2.gz PTSYMNNQCQLTEX-IUODEOHRSA-N 1 2 273.336 3.027 20 30 CGEDLO C[N@H+](Cc1cccc(OC(C)(C)C)n1)[C@H]1CCC[C@@H]1C#N ZINC000602980522 348050307 /nfs/dbraw/zinc/05/03/07/348050307.db2.gz QVHCIOUZUZUWPE-HIFRSBDPSA-N 1 2 287.407 3.383 20 30 CGEDLO C[N@@H+](Cc1cccc(OC(C)(C)C)n1)[C@H]1CCC[C@@H]1C#N ZINC000602980522 348050308 /nfs/dbraw/zinc/05/03/08/348050308.db2.gz QVHCIOUZUZUWPE-HIFRSBDPSA-N 1 2 287.407 3.383 20 30 CGEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000610343403 348376463 /nfs/dbraw/zinc/37/64/63/348376463.db2.gz FZABNVGTHDRHOO-GHMZBOCLSA-N 1 2 282.347 3.230 20 30 CGEDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(CCC#N)CC1 ZINC000611176064 348426346 /nfs/dbraw/zinc/42/63/46/348426346.db2.gz SLDVHPQCUOYOBK-GFCCVEGCSA-N 1 2 295.789 3.071 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611501134 348456294 /nfs/dbraw/zinc/45/62/94/348456294.db2.gz ZGKBHKPXXCFCGY-UHFFFAOYSA-N 1 2 280.375 3.060 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611501134 348456298 /nfs/dbraw/zinc/45/62/98/348456298.db2.gz ZGKBHKPXXCFCGY-UHFFFAOYSA-N 1 2 280.375 3.060 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cnc21 ZINC000612164710 348499364 /nfs/dbraw/zinc/49/93/64/348499364.db2.gz FZEZZGXSUUEEEF-KRWDZBQOSA-N 1 2 297.406 3.138 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)cnc21 ZINC000612164710 348499366 /nfs/dbraw/zinc/49/93/66/348499366.db2.gz FZEZZGXSUUEEEF-KRWDZBQOSA-N 1 2 297.406 3.138 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000612406646 348517396 /nfs/dbraw/zinc/51/73/96/348517396.db2.gz QVVUDCPERTYFGL-QGZVFWFLSA-N 1 2 268.360 3.088 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000612406646 348517399 /nfs/dbraw/zinc/51/73/99/348517399.db2.gz QVVUDCPERTYFGL-QGZVFWFLSA-N 1 2 268.360 3.088 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000614402425 348674062 /nfs/dbraw/zinc/67/40/62/348674062.db2.gz XNNCWQFLZJMCTN-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000614402425 348674065 /nfs/dbraw/zinc/67/40/65/348674065.db2.gz XNNCWQFLZJMCTN-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)ccn1 ZINC000616783069 348877885 /nfs/dbraw/zinc/87/78/85/348877885.db2.gz POQASYYPDDDLMQ-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)ccn1 ZINC000616783069 348877890 /nfs/dbraw/zinc/87/78/90/348877890.db2.gz POQASYYPDDDLMQ-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc3ccc(F)cc3[nH]2)c1 ZINC000616955395 348886146 /nfs/dbraw/zinc/88/61/46/348886146.db2.gz OLGUCNNNUKKQLE-UHFFFAOYSA-N 1 2 280.306 3.380 20 30 CGEDLO C[C@H]([NH2+]CC1(CC#N)CC1)c1nc(Cc2ccccc2)no1 ZINC000619526384 349257041 /nfs/dbraw/zinc/25/70/41/349257041.db2.gz HLADABBPAXNRLF-ZDUSSCGKSA-N 1 2 296.374 3.005 20 30 CGEDLO COc1ccc2[nH+]c(NCC3CCC(C#N)CC3)ccc2c1 ZINC000619651619 349266470 /nfs/dbraw/zinc/26/64/70/349266470.db2.gz DOBDRYPEBXCKKB-UHFFFAOYSA-N 1 2 295.386 3.407 20 30 CGEDLO C=C[C@H]([NH2+]CC(CC)(CC)c1ccccc1)C(=O)OC ZINC000619702769 349277224 /nfs/dbraw/zinc/27/72/24/349277224.db2.gz RLSQWYHYAPELPY-HNNXBMFYSA-N 1 2 275.392 3.062 20 30 CGEDLO C=CCCC(C)(C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000620861465 349430858 /nfs/dbraw/zinc/43/08/58/349430858.db2.gz QYSPKYJHKPBTGQ-UHFFFAOYSA-N 1 2 285.391 3.046 20 30 CGEDLO C=CC[N@H+](Cc1cc(O)ccc1Cl)[C@@H](C)COC ZINC000625531021 350181496 /nfs/dbraw/zinc/18/14/96/350181496.db2.gz WSFJFJFJQICFQE-NSHDSACASA-N 1 2 269.772 3.069 20 30 CGEDLO C=CC[N@@H+](Cc1cc(O)ccc1Cl)[C@@H](C)COC ZINC000625531021 350181499 /nfs/dbraw/zinc/18/14/99/350181499.db2.gz WSFJFJFJQICFQE-NSHDSACASA-N 1 2 269.772 3.069 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000626559627 350318812 /nfs/dbraw/zinc/31/88/12/350318812.db2.gz JCUULBREIOSDQF-CYBMUJFWSA-N 1 2 259.353 3.128 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000626616861 350324208 /nfs/dbraw/zinc/32/42/08/350324208.db2.gz AAJDLZFYBMGISD-CYBMUJFWSA-N 1 2 284.363 3.073 20 30 CGEDLO C=CCCCCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000628016751 350391918 /nfs/dbraw/zinc/39/19/18/350391918.db2.gz SJINPUGLYURTNA-UHFFFAOYSA-N 1 2 271.364 3.119 20 30 CGEDLO C=CCC1(C(=O)NCc2ccc(-c3c[nH]c[nH+]3)cc2)CCC1 ZINC000633523616 351317157 /nfs/dbraw/zinc/31/71/57/351317157.db2.gz PJCOPLALWBGULI-UHFFFAOYSA-N 1 2 295.386 3.439 20 30 CGEDLO C=CC(C)(C)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636249153 351731948 /nfs/dbraw/zinc/73/19/48/351731948.db2.gz AQBCFNNBBBZMAH-CQSZACIVSA-N 1 2 277.412 3.189 20 30 CGEDLO CCN(CC)c1ccc(NCc2ccc(C#N)o2)c[nH+]1 ZINC000158133551 188359176 /nfs/dbraw/zinc/35/91/76/188359176.db2.gz IZOLMPUTGIXLDD-UHFFFAOYSA-N 1 2 270.336 3.005 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000335180237 283075157 /nfs/dbraw/zinc/07/51/57/283075157.db2.gz ZVICDAUAGNIUNY-QAPCUYQASA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000335180237 283075159 /nfs/dbraw/zinc/07/51/59/283075159.db2.gz ZVICDAUAGNIUNY-QAPCUYQASA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125379585 138382233 /nfs/dbraw/zinc/38/22/33/138382233.db2.gz XMCVXLWDJSJTAW-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125379585 138382234 /nfs/dbraw/zinc/38/22/34/138382234.db2.gz XMCVXLWDJSJTAW-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000336446463 283247253 /nfs/dbraw/zinc/24/72/53/283247253.db2.gz FQCGCENRZSNOQY-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000336446463 283247255 /nfs/dbraw/zinc/24/72/55/283247255.db2.gz FQCGCENRZSNOQY-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425248026 236223210 /nfs/dbraw/zinc/22/32/10/236223210.db2.gz QBPFSCXGWVKMGB-SJCJKPOMSA-N 1 2 299.349 3.011 20 30 CGEDLO Cc1cc(N[C@H]2C[C@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425259949 236224679 /nfs/dbraw/zinc/22/46/79/236224679.db2.gz NINQIONYPMACQV-KOMQPUFPSA-N 1 2 263.344 3.042 20 30 CGEDLO C#CCCCCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000179781070 189219796 /nfs/dbraw/zinc/21/97/96/189219796.db2.gz UZKRGXPDVCANPB-UHFFFAOYSA-N 1 2 281.359 3.219 20 30 CGEDLO N#Cc1c(F)cccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301507443 201036759 /nfs/dbraw/zinc/03/67/59/201036759.db2.gz BYBJMAOAAUQNSQ-UHFFFAOYSA-N 1 2 298.296 3.367 20 30 CGEDLO N#Cc1cc(Cl)ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301661054 201120292 /nfs/dbraw/zinc/12/02/92/201120292.db2.gz XNWFEKDXOTWPCO-HNNXBMFYSA-N 1 2 299.761 3.264 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1ccc(C#N)cc1F ZINC000301878490 201245887 /nfs/dbraw/zinc/24/58/87/201245887.db2.gz YZAUQJXWVSTFHC-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO CC(=O)c1ccc(C#N)cc1NCCc1cc[nH+]cc1C ZINC000302127565 201353259 /nfs/dbraw/zinc/35/32/59/201353259.db2.gz IWHVBVJMMWHXFW-UHFFFAOYSA-N 1 2 279.343 3.119 20 30 CGEDLO CC[N@H+](Cc1cn[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119882843 370718995 /nfs/dbraw/zinc/71/89/95/370718995.db2.gz VDEATTUBSRJDCX-ZDUSSCGKSA-N 1 2 268.364 3.173 20 30 CGEDLO CC[N@@H+](Cc1cn[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119882843 370719002 /nfs/dbraw/zinc/71/90/02/370719002.db2.gz VDEATTUBSRJDCX-ZDUSSCGKSA-N 1 2 268.364 3.173 20 30 CGEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121631710 370882228 /nfs/dbraw/zinc/88/22/28/370882228.db2.gz JQTXEXCZCLBQLY-KRWDZBQOSA-N 1 2 280.371 3.484 20 30 CGEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121631710 370882235 /nfs/dbraw/zinc/88/22/35/370882235.db2.gz JQTXEXCZCLBQLY-KRWDZBQOSA-N 1 2 280.371 3.484 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057880683 369549619 /nfs/dbraw/zinc/54/96/19/369549619.db2.gz FUHWHHNGRUKTHX-AWEZNQCLSA-N 1 2 299.418 3.373 20 30 CGEDLO C=CC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccc(Cl)s1 ZINC000067457507 369718350 /nfs/dbraw/zinc/71/83/50/369718350.db2.gz DSHAFGPYKYVDHN-UHFFFAOYSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CC[N@H+](CC(=O)N(C)C1CC1)Cc1ccc(Cl)s1 ZINC000067457507 369718353 /nfs/dbraw/zinc/71/83/53/369718353.db2.gz DSHAFGPYKYVDHN-UHFFFAOYSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[NH+](CC=C)CC=C)c1C ZINC000098072023 370262939 /nfs/dbraw/zinc/26/29/39/370262939.db2.gz BLPWTKWZTAAPLM-UHFFFAOYSA-N 1 2 272.392 3.148 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1SC ZINC000101547112 370290774 /nfs/dbraw/zinc/29/07/74/370290774.db2.gz SCTVORUYBHXFEG-LLVKDONJSA-N 1 2 264.394 3.151 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1SC ZINC000101547112 370290776 /nfs/dbraw/zinc/29/07/76/370290776.db2.gz SCTVORUYBHXFEG-LLVKDONJSA-N 1 2 264.394 3.151 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)(C)C)oc1C ZINC000111250531 370394797 /nfs/dbraw/zinc/39/47/97/370394797.db2.gz CJZLLQYJGCPLSD-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)(C)C)oc1C ZINC000111250531 370394802 /nfs/dbraw/zinc/39/48/02/370394802.db2.gz CJZLLQYJGCPLSD-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000129598491 370994991 /nfs/dbraw/zinc/99/49/91/370994991.db2.gz NRBOJHZNNKTLIV-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000129598491 370994995 /nfs/dbraw/zinc/99/49/95/370994995.db2.gz NRBOJHZNNKTLIV-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C=CC[N@H+](Cc1ccncc1)Cc1ccccc1F ZINC000130294968 371023318 /nfs/dbraw/zinc/02/33/18/371023318.db2.gz CFUJFKNSLXTYOJ-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1ccncc1)Cc1ccccc1F ZINC000130294968 371023321 /nfs/dbraw/zinc/02/33/21/371023321.db2.gz CFUJFKNSLXTYOJ-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO N#Cc1cccc(OC2CC[NH+](Cc3nccs3)CC2)c1 ZINC000135045241 371386315 /nfs/dbraw/zinc/38/63/15/371386315.db2.gz UHTMBTANZBDVQH-UHFFFAOYSA-N 1 2 299.399 3.058 20 30 CGEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000157928373 372044289 /nfs/dbraw/zinc/04/42/89/372044289.db2.gz QXIOASCZKSFRLX-HNNXBMFYSA-N 1 2 281.359 3.287 20 30 CGEDLO CC#CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000157928373 372044296 /nfs/dbraw/zinc/04/42/96/372044296.db2.gz QXIOASCZKSFRLX-HNNXBMFYSA-N 1 2 281.359 3.287 20 30 CGEDLO CCN(CCC#N)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000426519802 372160972 /nfs/dbraw/zinc/16/09/72/372160972.db2.gz BOFCSUYKRSXWTD-UHFFFAOYSA-N 1 2 295.342 3.250 20 30 CGEDLO COC(=O)c1occc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365648 372124219 /nfs/dbraw/zinc/12/42/19/372124219.db2.gz MIDBWXNRNNZUNQ-LBPRGKRZSA-N 1 2 298.342 3.131 20 30 CGEDLO COC(=O)c1occc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365648 372124228 /nfs/dbraw/zinc/12/42/28/372124228.db2.gz MIDBWXNRNNZUNQ-LBPRGKRZSA-N 1 2 298.342 3.131 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160884125 372286096 /nfs/dbraw/zinc/28/60/96/372286096.db2.gz LHIJIYMFRPVQKX-AWEZNQCLSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160884125 372286103 /nfs/dbraw/zinc/28/61/03/372286103.db2.gz LHIJIYMFRPVQKX-AWEZNQCLSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1cc(F)ccc1C#N ZINC000161438363 372325233 /nfs/dbraw/zinc/32/52/33/372325233.db2.gz WLAPPLLVYWJCCH-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1cc(F)ccc1C#N ZINC000161438363 372325243 /nfs/dbraw/zinc/32/52/43/372325243.db2.gz WLAPPLLVYWJCCH-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681073 372375419 /nfs/dbraw/zinc/37/54/19/372375419.db2.gz JSCLETWVTVOKFL-AXAPSJFSSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681073 372375423 /nfs/dbraw/zinc/37/54/23/372375423.db2.gz JSCLETWVTVOKFL-AXAPSJFSSA-N 1 2 292.329 3.030 20 30 CGEDLO CCc1nocc1C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000293450608 372387148 /nfs/dbraw/zinc/38/71/48/372387148.db2.gz PFYYKXARKVYGLH-UHFFFAOYSA-N 1 2 288.778 3.374 20 30 CGEDLO CCc1nocc1C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000293450608 372387154 /nfs/dbraw/zinc/38/71/54/372387154.db2.gz PFYYKXARKVYGLH-UHFFFAOYSA-N 1 2 288.778 3.374 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000162895519 372433192 /nfs/dbraw/zinc/43/31/92/372433192.db2.gz QRIGRWJJMWZOHP-NSHDSACASA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000162895519 372433197 /nfs/dbraw/zinc/43/31/97/372433197.db2.gz QRIGRWJJMWZOHP-NSHDSACASA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[N@H+](C)CC(C)(C)C#N ZINC000433306902 372587959 /nfs/dbraw/zinc/58/79/59/372587959.db2.gz UHVZYDWQDDNDFE-LLVKDONJSA-N 1 2 257.337 3.370 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+](C)CC(C)(C)C#N ZINC000433306902 372587966 /nfs/dbraw/zinc/58/79/66/372587966.db2.gz UHVZYDWQDDNDFE-LLVKDONJSA-N 1 2 257.337 3.370 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000171379339 372747606 /nfs/dbraw/zinc/74/76/06/372747606.db2.gz VCMZPHYVLNCBGV-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000171379339 372747614 /nfs/dbraw/zinc/74/76/14/372747614.db2.gz VCMZPHYVLNCBGV-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000295992314 372986459 /nfs/dbraw/zinc/98/64/59/372986459.db2.gz DVAKCEYPGKZEHI-LLVKDONJSA-N 1 2 272.348 3.389 20 30 CGEDLO C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000297334042 373266099 /nfs/dbraw/zinc/26/60/99/373266099.db2.gz MSTZSMAFERRBAJ-CYBMUJFWSA-N 1 2 290.411 3.249 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)o1 ZINC000174308687 373289066 /nfs/dbraw/zinc/28/90/66/373289066.db2.gz RELXBFCVKJTFHU-SFHVURJKSA-N 1 2 289.338 3.425 20 30 CGEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cs1 ZINC000174381778 373303675 /nfs/dbraw/zinc/30/36/75/373303675.db2.gz KMFYRSKDBOAFAX-SECBINFHSA-N 1 2 261.350 3.021 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(CC)no1 ZINC000299162833 373474125 /nfs/dbraw/zinc/47/41/25/373474125.db2.gz XQUWFKDGXDDBDC-LBPRGKRZSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(CC)no1 ZINC000299162833 373474131 /nfs/dbraw/zinc/47/41/31/373474131.db2.gz XQUWFKDGXDDBDC-LBPRGKRZSA-N 1 2 275.352 3.017 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccncc1F ZINC000449045002 373655391 /nfs/dbraw/zinc/65/53/91/373655391.db2.gz GPLAGWHFZJSDIZ-SJLPKXTDSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1F ZINC000449045002 373655402 /nfs/dbraw/zinc/65/54/02/373655402.db2.gz GPLAGWHFZJSDIZ-SJLPKXTDSA-N 1 2 295.361 3.492 20 30 CGEDLO C=CCc1cc(C[NH2+][C@@H](CC)C(F)F)cc(OC)c1O ZINC000449361460 373684577 /nfs/dbraw/zinc/68/45/77/373684577.db2.gz KPSKLCZWXXBBJX-LBPRGKRZSA-N 1 2 285.334 3.263 20 30 CGEDLO C=CCN(CCc1ccccc1)c1cc(C)[nH+]cn1 ZINC000301272764 373723116 /nfs/dbraw/zinc/72/31/16/373723116.db2.gz YLNDSOBPFGPLDM-UHFFFAOYSA-N 1 2 253.349 3.020 20 30 CGEDLO C=CCNC(=O)C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000180029556 373954104 /nfs/dbraw/zinc/95/41/04/373954104.db2.gz ZWDWMRAJOJVNBE-SSDOTTSWSA-N 1 2 293.219 3.008 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000450607564 374165037 /nfs/dbraw/zinc/16/50/37/374165037.db2.gz AQKSBZJFYJERIA-GFCCVEGCSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000450607564 374165046 /nfs/dbraw/zinc/16/50/46/374165046.db2.gz AQKSBZJFYJERIA-GFCCVEGCSA-N 1 2 256.349 3.013 20 30 CGEDLO COc1cc(F)c([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450673007 374169601 /nfs/dbraw/zinc/16/96/01/374169601.db2.gz MYKUDEHHCYZUHU-NSHDSACASA-N 1 2 292.354 3.187 20 30 CGEDLO COc1cc[nH+]cc1COc1cc(C)c(C#N)c(C)c1C ZINC000314570268 374319858 /nfs/dbraw/zinc/31/98/58/374319858.db2.gz FUUGBNVJKZGQMC-UHFFFAOYSA-N 1 2 282.343 3.466 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@@]23CCOC3)c1 ZINC000329617630 374416013 /nfs/dbraw/zinc/41/60/13/374416013.db2.gz QGDGQQTVQLGFRM-RHSMWYFYSA-N 1 2 297.358 3.102 20 30 CGEDLO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C#N)CC2)s1 ZINC000183575346 374428833 /nfs/dbraw/zinc/42/88/33/374428833.db2.gz HZXKDLNJXVOJLH-UHFFFAOYSA-N 1 2 289.326 3.206 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000183828954 374461003 /nfs/dbraw/zinc/46/10/03/374461003.db2.gz MEMMZJUBOTYFAB-VIFPVBQESA-N 1 2 263.391 3.121 20 30 CGEDLO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)C#N ZINC000183828358 374461521 /nfs/dbraw/zinc/46/15/21/374461521.db2.gz MXTXPSYUPNPHQV-QMMMGPOBSA-N 1 2 273.163 3.251 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387975 374706646 /nfs/dbraw/zinc/70/66/46/374706646.db2.gz QACMSBCLIVOFFB-QWHCGFSZSA-N 1 2 265.360 3.218 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387975 374706647 /nfs/dbraw/zinc/70/66/47/374706647.db2.gz QACMSBCLIVOFFB-QWHCGFSZSA-N 1 2 265.360 3.218 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000334388689 374707088 /nfs/dbraw/zinc/70/70/88/374707088.db2.gz RBTMTNBNHCGSNF-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000334388689 374707098 /nfs/dbraw/zinc/70/70/98/374707098.db2.gz RBTMTNBNHCGSNF-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO CC(C)(C)C1=CC[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000334393968 374711908 /nfs/dbraw/zinc/71/19/08/374711908.db2.gz VKABJHIUKJIZIN-UHFFFAOYSA-N 1 2 261.394 3.193 20 30 CGEDLO CC(C)(C)C1=CC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000334393968 374711915 /nfs/dbraw/zinc/71/19/15/374711915.db2.gz VKABJHIUKJIZIN-UHFFFAOYSA-N 1 2 261.394 3.193 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)OC ZINC000489477487 375318292 /nfs/dbraw/zinc/31/82/92/375318292.db2.gz OPUYPYWDRNGSSY-CQSZACIVSA-N 1 2 277.339 3.153 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(=O)OC ZINC000489477487 375318298 /nfs/dbraw/zinc/31/82/98/375318298.db2.gz OPUYPYWDRNGSSY-CQSZACIVSA-N 1 2 277.339 3.153 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379434 375268077 /nfs/dbraw/zinc/26/80/77/375268077.db2.gz JCIXFWZCMNAPSU-GXSJLCMTSA-N 1 2 266.797 3.452 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379434 375268081 /nfs/dbraw/zinc/26/80/81/375268081.db2.gz JCIXFWZCMNAPSU-GXSJLCMTSA-N 1 2 266.797 3.452 20 30 CGEDLO CC(C)([NH2+]Cc1ccc(C#N)o1)c1cc(C(F)(F)F)on1 ZINC000492045445 375401879 /nfs/dbraw/zinc/40/18/79/375401879.db2.gz LJOJISUCQVDXMK-UHFFFAOYSA-N 1 2 299.252 3.183 20 30 CGEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1C#N ZINC000191300728 375608057 /nfs/dbraw/zinc/60/80/57/375608057.db2.gz UIRZZQQCEAEDGH-CQSZACIVSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1C#N ZINC000191300728 375608061 /nfs/dbraw/zinc/60/80/61/375608061.db2.gz UIRZZQQCEAEDGH-CQSZACIVSA-N 1 2 286.404 3.080 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)ccc1Cl)C[C@@H](C)C#N ZINC000191976437 375686038 /nfs/dbraw/zinc/68/60/38/375686038.db2.gz HEMYNSSTTHBWJW-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1cc(OC)ccc1Cl)C[C@@H](C)C#N ZINC000191976437 375686042 /nfs/dbraw/zinc/68/60/42/375686042.db2.gz HEMYNSSTTHBWJW-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000516191211 375817553 /nfs/dbraw/zinc/81/75/53/375817553.db2.gz BNNYALCXUUWLLY-MWLCHTKSSA-N 1 2 297.761 3.088 20 30 CGEDLO CC1(C)CC(C[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000528399133 375899851 /nfs/dbraw/zinc/89/98/51/375899851.db2.gz RHIACCSONVILLV-UHFFFAOYSA-N 1 2 257.381 3.233 20 30 CGEDLO CC1(C)CC(C[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000528399133 375899855 /nfs/dbraw/zinc/89/98/55/375899855.db2.gz RHIACCSONVILLV-UHFFFAOYSA-N 1 2 257.381 3.233 20 30 CGEDLO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)c(F)cc1OC ZINC000529524952 375928262 /nfs/dbraw/zinc/92/82/62/375928262.db2.gz MKBBUQUODMUABW-LBPRGKRZSA-N 1 2 294.370 3.215 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)c(F)cc1OC ZINC000529524952 375928264 /nfs/dbraw/zinc/92/82/64/375928264.db2.gz MKBBUQUODMUABW-LBPRGKRZSA-N 1 2 294.370 3.215 20 30 CGEDLO CC[N@H+](Cc1nccc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336840337 376003125 /nfs/dbraw/zinc/00/31/25/376003125.db2.gz WOTIYIXPVHTJDI-AWEZNQCLSA-N 1 2 280.375 3.240 20 30 CGEDLO CC[N@@H+](Cc1nccc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336840337 376003132 /nfs/dbraw/zinc/00/31/32/376003132.db2.gz WOTIYIXPVHTJDI-AWEZNQCLSA-N 1 2 280.375 3.240 20 30 CGEDLO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000536645359 376106507 /nfs/dbraw/zinc/10/65/07/376106507.db2.gz QXQBZFYSTBRMNC-VMPITWQZSA-N 1 2 273.336 3.232 20 30 CGEDLO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000536645359 376106512 /nfs/dbraw/zinc/10/65/12/376106512.db2.gz QXQBZFYSTBRMNC-VMPITWQZSA-N 1 2 273.336 3.232 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000220950018 376210905 /nfs/dbraw/zinc/21/09/05/376210905.db2.gz NNSRZGFHJBHPRP-NEPJUHHUSA-N 1 2 255.321 3.267 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)s1 ZINC000230648856 376526395 /nfs/dbraw/zinc/52/63/95/376526395.db2.gz FZMFHSLWICWNON-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000264467815 190111467 /nfs/dbraw/zinc/11/14/67/190111467.db2.gz MNKVVAAEQNSKOC-ZDUSSCGKSA-N 1 2 290.432 3.388 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000237476988 376745153 /nfs/dbraw/zinc/74/51/53/376745153.db2.gz BIUOXWMZKXVRMI-LLVKDONJSA-N 1 2 284.363 3.090 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000264639254 190124914 /nfs/dbraw/zinc/12/49/14/190124914.db2.gz MKERDYSWORLHPY-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOC3(CCCCC3)C2)c1F ZINC000340897538 377310420 /nfs/dbraw/zinc/31/04/20/377310420.db2.gz JFHJORVXKKYBJS-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1F ZINC000340897538 377310429 /nfs/dbraw/zinc/31/04/29/377310429.db2.gz JFHJORVXKKYBJS-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO Cc1cc(C)c(NC(=O)CCC[NH+]2CC(C)(C#N)C2)c(C)c1 ZINC000565900058 377490983 /nfs/dbraw/zinc/49/09/83/377490983.db2.gz MDBYBFVFTCEBEC-UHFFFAOYSA-N 1 2 299.418 3.176 20 30 CGEDLO Cc1cc(NCc2cn3cc(Cl)ccc3[nH+]2)cc(C#N)n1 ZINC000341421852 377558389 /nfs/dbraw/zinc/55/83/89/377558389.db2.gz WFONMVTXRUUKKT-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccoc2)c1C ZINC000342673966 377727187 /nfs/dbraw/zinc/72/71/87/377727187.db2.gz OWGOVIQHVVJRIR-UHFFFAOYSA-N 1 2 286.375 3.199 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccoc2)c1C ZINC000342673966 377727191 /nfs/dbraw/zinc/72/71/91/377727191.db2.gz OWGOVIQHVVJRIR-UHFFFAOYSA-N 1 2 286.375 3.199 20 30 CGEDLO Cn1c2ccccc2[nH+]c1N[C@@H](CCC#N)c1ccccc1 ZINC000342771558 377782854 /nfs/dbraw/zinc/78/28/54/377782854.db2.gz RXTQDLPIGJWLEH-HNNXBMFYSA-N 1 2 290.370 3.452 20 30 CGEDLO Cc1ccc(C#N)c(NCc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000342919315 377858186 /nfs/dbraw/zinc/85/81/86/377858186.db2.gz UCHKBWNXDXLTMX-UHFFFAOYSA-N 1 2 289.342 3.264 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(CC#N)cc2)o1 ZINC000343529140 378008152 /nfs/dbraw/zinc/00/81/52/378008152.db2.gz MDYDUAZLVSBTNV-KRWDZBQOSA-N 1 2 296.370 3.228 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(CC#N)cc2)o1 ZINC000343529140 378008158 /nfs/dbraw/zinc/00/81/58/378008158.db2.gz MDYDUAZLVSBTNV-KRWDZBQOSA-N 1 2 296.370 3.228 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000268866733 378135140 /nfs/dbraw/zinc/13/51/40/378135140.db2.gz FMAOJKADHMOGAX-UHFFFAOYSA-N 1 2 287.338 3.336 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000581014500 378275102 /nfs/dbraw/zinc/27/51/02/378275102.db2.gz WYHHVXYHYHYTQB-OAHLLOKOSA-N 1 2 296.330 3.132 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000581014500 378275106 /nfs/dbraw/zinc/27/51/06/378275106.db2.gz WYHHVXYHYHYTQB-OAHLLOKOSA-N 1 2 296.330 3.132 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)c(F)c1 ZINC000270836081 378404933 /nfs/dbraw/zinc/40/49/33/378404933.db2.gz DIHYDBNJFJHSOC-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)c(F)c1 ZINC000270836081 378404938 /nfs/dbraw/zinc/40/49/38/378404938.db2.gz DIHYDBNJFJHSOC-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C=C1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000274318280 378809387 /nfs/dbraw/zinc/80/93/87/378809387.db2.gz OBMSQIPEXHJQGG-UHFFFAOYSA-N 1 2 271.389 3.357 20 30 CGEDLO C=C[C@H](CC(=O)NCc1c[nH+]ccc1OC)c1ccccc1 ZINC000348301121 378894603 /nfs/dbraw/zinc/89/46/03/378894603.db2.gz ILRFDUMKIOVMRW-CQSZACIVSA-N 1 2 296.370 3.066 20 30 CGEDLO Cc1ccc2[nH+]c(/C=C/c3ccncc3C#N)cn2c1 ZINC000349107063 379160999 /nfs/dbraw/zinc/16/09/99/379160999.db2.gz JMFAJJKSEJIROJ-ONEGZZNKSA-N 1 2 260.300 3.080 20 30 CGEDLO N#Cc1cnccc1/C=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000349107015 379161795 /nfs/dbraw/zinc/16/17/95/379161795.db2.gz JFKHOAZHVSHSRU-IWQZZHSRSA-N 1 2 280.718 3.425 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278778404 194151474 /nfs/dbraw/zinc/15/14/74/194151474.db2.gz YVYBKHGZNKRGNP-UHFFFAOYSA-N 1 2 256.680 3.004 20 30 CGEDLO N#CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000372591856 379196210 /nfs/dbraw/zinc/19/62/10/379196210.db2.gz INJTYQHIPRBNBT-CHWSQXEVSA-N 1 2 268.282 3.455 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375345435 379493189 /nfs/dbraw/zinc/49/31/89/379493189.db2.gz ONGGJNITDFMATA-CZUORRHYSA-N 1 2 296.374 3.038 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375345435 379493195 /nfs/dbraw/zinc/49/31/95/379493195.db2.gz ONGGJNITDFMATA-CZUORRHYSA-N 1 2 296.374 3.038 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000377668486 379717526 /nfs/dbraw/zinc/71/75/26/379717526.db2.gz BYOJDXTZLBVUNG-JKSUJKDBSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000377668486 379717532 /nfs/dbraw/zinc/71/75/32/379717532.db2.gz BYOJDXTZLBVUNG-JKSUJKDBSA-N 1 2 288.366 3.087 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1OC ZINC000351591062 379729068 /nfs/dbraw/zinc/72/90/68/379729068.db2.gz BBMYMOUSSIFCTA-LBPRGKRZSA-N 1 2 288.347 3.099 20 30 CGEDLO C=CCC(C)(C)CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000352489067 379834181 /nfs/dbraw/zinc/83/41/81/379834181.db2.gz XNXINEKVZYPUPE-UHFFFAOYSA-N 1 2 299.418 3.453 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000352468809 379827633 /nfs/dbraw/zinc/82/76/33/379827633.db2.gz UZVYGGPNLQEGDQ-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO CC[C@@H](CNc1cc(C)[nH+]cc1C#N)CC(F)(F)F ZINC000402590274 379968796 /nfs/dbraw/zinc/96/87/96/379968796.db2.gz ZSJZYYDKHVPBAC-SNVBAGLBSA-N 1 2 271.286 3.074 20 30 CGEDLO CCc1nc(C[N@H+](C)Cc2ccc(CC#N)cc2)cs1 ZINC000399129017 379935284 /nfs/dbraw/zinc/93/52/84/379935284.db2.gz MFHZTJNYGSMSPZ-UHFFFAOYSA-N 1 2 285.416 3.404 20 30 CGEDLO CCc1nc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cs1 ZINC000399129017 379935287 /nfs/dbraw/zinc/93/52/87/379935287.db2.gz MFHZTJNYGSMSPZ-UHFFFAOYSA-N 1 2 285.416 3.404 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352874233 380014559 /nfs/dbraw/zinc/01/45/59/380014559.db2.gz ZLOYEUIMSOBWKH-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352874233 380014570 /nfs/dbraw/zinc/01/45/70/380014570.db2.gz ZLOYEUIMSOBWKH-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)[C@@H](C)CCC#N)cs1 ZINC000411287108 380138815 /nfs/dbraw/zinc/13/88/15/380138815.db2.gz AITXHOORKQUGCO-NWDGAFQWSA-N 1 2 281.425 3.365 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@@H](C)CCC#N)cs1 ZINC000411287108 380138823 /nfs/dbraw/zinc/13/88/23/380138823.db2.gz AITXHOORKQUGCO-NWDGAFQWSA-N 1 2 281.425 3.365 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nc(C)no1 ZINC000642194545 380147436 /nfs/dbraw/zinc/14/74/36/380147436.db2.gz BMPGPORXDRWABS-GFCCVEGCSA-N 1 2 257.337 3.127 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nc(C)no1 ZINC000642194545 380147444 /nfs/dbraw/zinc/14/74/44/380147444.db2.gz BMPGPORXDRWABS-GFCCVEGCSA-N 1 2 257.337 3.127 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000411165803 380132292 /nfs/dbraw/zinc/13/22/92/380132292.db2.gz QPVSDTKIEORZBW-OAHLLOKOSA-N 1 2 290.794 3.119 20 30 CGEDLO CCn1nccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000353945779 380248191 /nfs/dbraw/zinc/24/81/91/380248191.db2.gz CHQLMQXKAVUJBI-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1nccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000353945779 380248194 /nfs/dbraw/zinc/24/81/94/380248194.db2.gz CHQLMQXKAVUJBI-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC(C)(C)C#N ZINC000354016783 380280915 /nfs/dbraw/zinc/28/09/15/380280915.db2.gz CRJBIIAGVUAYGZ-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC(C)(C)C#N ZINC000354016783 380280919 /nfs/dbraw/zinc/28/09/19/380280919.db2.gz CRJBIIAGVUAYGZ-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000354034539 380290994 /nfs/dbraw/zinc/29/09/94/380290994.db2.gz RUALBAQPAXDZHT-OAHLLOKOSA-N 1 2 297.402 3.493 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000354034539 380290999 /nfs/dbraw/zinc/29/09/99/380290999.db2.gz RUALBAQPAXDZHT-OAHLLOKOSA-N 1 2 297.402 3.493 20 30 CGEDLO CCc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000355135574 380593059 /nfs/dbraw/zinc/59/30/59/380593059.db2.gz OLQNLTMBHIVTDA-GOSISDBHSA-N 1 2 296.370 3.287 20 30 CGEDLO CCc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000355135574 380593063 /nfs/dbraw/zinc/59/30/63/380593063.db2.gz OLQNLTMBHIVTDA-GOSISDBHSA-N 1 2 296.370 3.287 20 30 CGEDLO CC1=C(c2ccco2)C[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000334747622 207008372 /nfs/dbraw/zinc/00/83/72/207008372.db2.gz DNWQRVCRYPPICS-UHFFFAOYSA-N 1 2 285.372 3.287 20 30 CGEDLO CC1=C(c2ccco2)C[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000334747622 207008377 /nfs/dbraw/zinc/00/83/77/207008377.db2.gz DNWQRVCRYPPICS-UHFFFAOYSA-N 1 2 285.372 3.287 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356486367 380801279 /nfs/dbraw/zinc/80/12/79/380801279.db2.gz XPUKNRVSMSIJMJ-UKRRQHHQSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356486367 380801290 /nfs/dbraw/zinc/80/12/90/380801290.db2.gz XPUKNRVSMSIJMJ-UKRRQHHQSA-N 1 2 287.407 3.112 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000279232461 194344084 /nfs/dbraw/zinc/34/40/84/194344084.db2.gz JGHKRMSZLRYGJW-UHFFFAOYSA-N 1 2 271.389 3.049 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000279232461 194344087 /nfs/dbraw/zinc/34/40/87/194344087.db2.gz JGHKRMSZLRYGJW-UHFFFAOYSA-N 1 2 271.389 3.049 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000358282444 381300535 /nfs/dbraw/zinc/30/05/35/381300535.db2.gz SLMKIJHAWKYJDX-LLVKDONJSA-N 1 2 291.424 3.005 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000334831574 207154923 /nfs/dbraw/zinc/15/49/23/207154923.db2.gz FBRJZEWREGMKFP-LLVKDONJSA-N 1 2 287.363 3.143 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000334831574 207154928 /nfs/dbraw/zinc/15/49/28/207154928.db2.gz FBRJZEWREGMKFP-LLVKDONJSA-N 1 2 287.363 3.143 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361751940 381866578 /nfs/dbraw/zinc/86/65/78/381866578.db2.gz UQQYNDJSWTZQRX-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361751940 381866582 /nfs/dbraw/zinc/86/65/82/381866582.db2.gz UQQYNDJSWTZQRX-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO Cc1nsc(NCc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000366963893 382325839 /nfs/dbraw/zinc/32/58/39/382325839.db2.gz RHZMZMIZQCOZDM-UHFFFAOYSA-N 1 2 295.371 3.121 20 30 CGEDLO Cc1ccc2[nH+]cc(CN(CCC#N)CCC(C)C)n2c1 ZINC000093100963 392234625 /nfs/dbraw/zinc/23/46/25/392234625.db2.gz LWWSYQZNRHDTHP-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](CCC#N)CCC(C)C)n2c1 ZINC000093100963 392234629 /nfs/dbraw/zinc/23/46/29/392234629.db2.gz LWWSYQZNRHDTHP-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](CCC#N)CCC(C)C)n2c1 ZINC000093100963 392234631 /nfs/dbraw/zinc/23/46/31/392234631.db2.gz LWWSYQZNRHDTHP-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000093090670 392233929 /nfs/dbraw/zinc/23/39/29/392233929.db2.gz LTTIQYYLEYVWQX-LBPRGKRZSA-N 1 2 258.365 3.134 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000093090670 392233931 /nfs/dbraw/zinc/23/39/31/392233931.db2.gz LTTIQYYLEYVWQX-LBPRGKRZSA-N 1 2 258.365 3.134 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000123743337 392431051 /nfs/dbraw/zinc/43/10/51/392431051.db2.gz PQQHLHXCUIYWCV-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO Cc1ccc(NC(=O)N(CCC#N)Cc2ccco2)c(C)[nH+]1 ZINC000126480772 392441966 /nfs/dbraw/zinc/44/19/66/392441966.db2.gz PSIRUHJDLHWDCA-UHFFFAOYSA-N 1 2 298.346 3.239 20 30 CGEDLO C=C(C)CN(C)c1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000302053407 392608932 /nfs/dbraw/zinc/60/89/32/392608932.db2.gz PQIGIOSLMYNUCP-UHFFFAOYSA-N 1 2 268.364 3.113 20 30 CGEDLO COc1c(Br)cccc1C[N@H+](C)[C@@H](C)CC#N ZINC000172924940 392622895 /nfs/dbraw/zinc/62/28/95/392622895.db2.gz KTFYKSHDTOOWRV-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO COc1c(Br)cccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000172924940 392622898 /nfs/dbraw/zinc/62/28/98/392622898.db2.gz KTFYKSHDTOOWRV-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO COCc1cccc(C[N@H+](CC#N)C2CCCC2)c1 ZINC000179221223 392692706 /nfs/dbraw/zinc/69/27/06/392692706.db2.gz JJWXNTPTCXPVSS-UHFFFAOYSA-N 1 2 258.365 3.101 20 30 CGEDLO COCc1cccc(C[N@@H+](CC#N)C2CCCC2)c1 ZINC000179221223 392692714 /nfs/dbraw/zinc/69/27/14/392692714.db2.gz JJWXNTPTCXPVSS-UHFFFAOYSA-N 1 2 258.365 3.101 20 30 CGEDLO Cc1c(C[N@@H+](C[C@@H](C)C#N)C2CC2)cccc1[N+](=O)[O-] ZINC000338353682 392910662 /nfs/dbraw/zinc/91/06/62/392910662.db2.gz PEJQVSKBQYLEHS-NSHDSACASA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1c(C[N@H+](C[C@@H](C)C#N)C2CC2)cccc1[N+](=O)[O-] ZINC000338353682 392910665 /nfs/dbraw/zinc/91/06/65/392910665.db2.gz PEJQVSKBQYLEHS-NSHDSACASA-N 1 2 273.336 3.027 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000348813469 393132634 /nfs/dbraw/zinc/13/26/34/393132634.db2.gz HIUKQJPLPAJKKE-HNNXBMFYSA-N 1 2 299.374 3.280 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000348813469 393132637 /nfs/dbraw/zinc/13/26/37/393132637.db2.gz HIUKQJPLPAJKKE-HNNXBMFYSA-N 1 2 299.374 3.280 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccon1 ZINC000349233582 393140631 /nfs/dbraw/zinc/14/06/31/393140631.db2.gz DDNBDOYZTKSVGQ-NSHDSACASA-N 1 2 294.276 3.396 20 30 CGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356198919 393379947 /nfs/dbraw/zinc/37/99/47/393379947.db2.gz XJPIXWFLMKKBOI-AWEZNQCLSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356198919 393379956 /nfs/dbraw/zinc/37/99/56/393379956.db2.gz XJPIXWFLMKKBOI-AWEZNQCLSA-N 1 2 299.399 3.360 20 30 CGEDLO N#Cc1cncc(Nc2cccc([NH+]3CCCCCC3)c2)n1 ZINC000420599364 393502323 /nfs/dbraw/zinc/50/23/23/393502323.db2.gz KUFQSNIJYJAMSB-UHFFFAOYSA-N 1 2 293.374 3.472 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000359879725 393556978 /nfs/dbraw/zinc/55/69/78/393556978.db2.gz UCZHDNQWWCSHJN-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(F)cc1C#N ZINC000359879725 393556981 /nfs/dbraw/zinc/55/69/81/393556981.db2.gz UCZHDNQWWCSHJN-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nccc(C)n1)c1ccc(F)c(F)c1 ZINC000360618805 393571313 /nfs/dbraw/zinc/57/13/13/393571313.db2.gz JXDWJTVRVPCELE-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000491438973 393689022 /nfs/dbraw/zinc/68/90/22/393689022.db2.gz HFTRYVNNJQNGSG-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000491438973 393689024 /nfs/dbraw/zinc/68/90/24/393689024.db2.gz HFTRYVNNJQNGSG-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000491708198 393697858 /nfs/dbraw/zinc/69/78/58/393697858.db2.gz MXIQPTYZSUCZGU-OAHLLOKOSA-N 1 2 270.332 3.223 20 30 CGEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000677802494 543466367 /nfs/dbraw/zinc/46/63/67/543466367.db2.gz NMJMDLGYVHQMCN-AWEZNQCLSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@H](CO)[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000677802494 543466368 /nfs/dbraw/zinc/46/63/68/543466368.db2.gz NMJMDLGYVHQMCN-AWEZNQCLSA-N 1 2 286.202 3.289 20 30 CGEDLO COCC#CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000677817620 543467479 /nfs/dbraw/zinc/46/74/79/543467479.db2.gz SAUDDEKXLHLBLH-UHFFFAOYSA-N 1 2 272.175 3.075 20 30 CGEDLO COCC#CC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000677817620 543467481 /nfs/dbraw/zinc/46/74/81/543467481.db2.gz SAUDDEKXLHLBLH-UHFFFAOYSA-N 1 2 272.175 3.075 20 30 CGEDLO CC(C)CCc1noc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000063495081 165031017 /nfs/dbraw/zinc/03/10/17/165031017.db2.gz YNCXAFKDUUEKFT-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO CC(C)CCc1noc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000063495081 165031020 /nfs/dbraw/zinc/03/10/20/165031020.db2.gz YNCXAFKDUUEKFT-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1cn2c(cccc2C)[nH+]1 ZINC000083137590 165172573 /nfs/dbraw/zinc/17/25/73/165172573.db2.gz IUFZSVSXWZEGLX-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768611 287119206 /nfs/dbraw/zinc/11/92/06/287119206.db2.gz JWDWAPPIAUMVPS-CQSZACIVSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768611 287119208 /nfs/dbraw/zinc/11/92/08/287119208.db2.gz JWDWAPPIAUMVPS-CQSZACIVSA-N 1 2 290.413 3.255 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285366187 196262471 /nfs/dbraw/zinc/26/24/71/196262471.db2.gz MEIKLVCBGNJGHV-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285366187 196262473 /nfs/dbraw/zinc/26/24/73/196262473.db2.gz MEIKLVCBGNJGHV-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO N#Cc1cc(C(F)(F)F)ccc1NCCCn1cc[nH+]c1 ZINC000037334016 173135979 /nfs/dbraw/zinc/13/59/79/173135979.db2.gz SZMCRXHECWAVPD-UHFFFAOYSA-N 1 2 294.280 3.276 20 30 CGEDLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000127504709 287289250 /nfs/dbraw/zinc/28/92/50/287289250.db2.gz KCXIQAGZEJZVLV-NEPJUHHUSA-N 1 2 284.363 3.476 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(SC)c1 ZINC000046439108 175396187 /nfs/dbraw/zinc/39/61/87/175396187.db2.gz BHKRPVGAWGJJOT-UHFFFAOYSA-N 1 2 276.405 3.021 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)o1 ZINC000129718388 287338003 /nfs/dbraw/zinc/33/80/03/287338003.db2.gz PGHKERSVNJTNFO-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000129718388 287338005 /nfs/dbraw/zinc/33/80/05/287338005.db2.gz PGHKERSVNJTNFO-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000347454141 226161567 /nfs/dbraw/zinc/16/15/67/226161567.db2.gz CZHSOFUMLFMGNW-CYBMUJFWSA-N 1 2 290.794 3.487 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000347454141 226161571 /nfs/dbraw/zinc/16/15/71/226161571.db2.gz CZHSOFUMLFMGNW-CYBMUJFWSA-N 1 2 290.794 3.487 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000575174493 335075497 /nfs/dbraw/zinc/07/54/97/335075497.db2.gz GSOHYELICHGZHH-QAPCUYQASA-N 1 2 290.370 3.204 20 30 CGEDLO C=CCC(F)(F)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664986842 419034674 /nfs/dbraw/zinc/03/46/74/419034674.db2.gz VTATVMSJQMEFJB-UHFFFAOYSA-N 1 2 265.263 3.032 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)nn1 ZINC000653494150 419037455 /nfs/dbraw/zinc/03/74/55/419037455.db2.gz RKMPFFOYYDWSQF-HNNXBMFYSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccsc2)nn1 ZINC000653494150 419037459 /nfs/dbraw/zinc/03/74/59/419037459.db2.gz RKMPFFOYYDWSQF-HNNXBMFYSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccc(C)cc2)nn1 ZINC000653512488 419040932 /nfs/dbraw/zinc/04/09/32/419040932.db2.gz RFABDKUZPHYPLA-UHFFFAOYSA-N 1 2 284.407 3.185 20 30 CGEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccc(C)cc2)nn1 ZINC000653512488 419040935 /nfs/dbraw/zinc/04/09/35/419040935.db2.gz RFABDKUZPHYPLA-UHFFFAOYSA-N 1 2 284.407 3.185 20 30 CGEDLO C[C@]1(C2CC2)C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000661167664 419236979 /nfs/dbraw/zinc/23/69/79/419236979.db2.gz IZKXRFIUWYHYST-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@]1(C2CC2)C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000661167664 419236981 /nfs/dbraw/zinc/23/69/81/419236981.db2.gz IZKXRFIUWYHYST-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@@]1(C2CC2)C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000661172289 419237016 /nfs/dbraw/zinc/23/70/16/419237016.db2.gz UCGYSFTZBCDGJP-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@@]1(C2CC2)C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000661172289 419237017 /nfs/dbraw/zinc/23/70/17/419237017.db2.gz UCGYSFTZBCDGJP-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C=CC[N@H+](Cc1noc(Cc2ccccc2)n1)C(C)(C)C ZINC000661756272 419295111 /nfs/dbraw/zinc/29/51/11/419295111.db2.gz IKNWUJLYIMHGMH-UHFFFAOYSA-N 1 2 285.391 3.447 20 30 CGEDLO C=CC[N@@H+](Cc1noc(Cc2ccccc2)n1)C(C)(C)C ZINC000661756272 419295113 /nfs/dbraw/zinc/29/51/13/419295113.db2.gz IKNWUJLYIMHGMH-UHFFFAOYSA-N 1 2 285.391 3.447 20 30 CGEDLO C=CC[N@@H+](Cc1csc(N(CC)C(C)=O)n1)C(C)(C)C ZINC000661755777 419295160 /nfs/dbraw/zinc/29/51/60/419295160.db2.gz YKMSMAAOJDKCGD-UHFFFAOYSA-N 1 2 295.452 3.302 20 30 CGEDLO C=CC[N@H+](Cc1csc(N(CC)C(C)=O)n1)C(C)(C)C ZINC000661755777 419295162 /nfs/dbraw/zinc/29/51/62/419295162.db2.gz YKMSMAAOJDKCGD-UHFFFAOYSA-N 1 2 295.452 3.302 20 30 CGEDLO C=CC[N@H+](Cc1ncn(-c2ccccc2)n1)C(C)(C)C ZINC000661760498 419296024 /nfs/dbraw/zinc/29/60/24/419296024.db2.gz WFRKCPFAGCTAGT-UHFFFAOYSA-N 1 2 270.380 3.054 20 30 CGEDLO C=CC[N@@H+](Cc1ncn(-c2ccccc2)n1)C(C)(C)C ZINC000661760498 419296025 /nfs/dbraw/zinc/29/60/25/419296025.db2.gz WFRKCPFAGCTAGT-UHFFFAOYSA-N 1 2 270.380 3.054 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000352051016 228177148 /nfs/dbraw/zinc/17/71/48/228177148.db2.gz XVWYSCNVDUKFOB-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000352051016 228177149 /nfs/dbraw/zinc/17/71/49/228177149.db2.gz XVWYSCNVDUKFOB-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000333274654 228195636 /nfs/dbraw/zinc/19/56/36/228195636.db2.gz IIUJYLHIJOKADP-KBPBESRZSA-N 1 2 270.380 3.176 20 30 CGEDLO C=CC[C@@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000664253235 419867378 /nfs/dbraw/zinc/86/73/78/419867378.db2.gz KXLDOOWZRCPGLO-GFCCVEGCSA-N 1 2 256.353 3.059 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccccc1Br ZINC000068607804 260143391 /nfs/dbraw/zinc/14/33/91/260143391.db2.gz SZGZMFJRHLNWPT-VHSXEESVSA-N 1 2 267.170 3.402 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCCNC1=O ZINC000298123281 260144140 /nfs/dbraw/zinc/14/41/40/260144140.db2.gz CERGQFYROORMGV-LBPRGKRZSA-N 1 2 298.839 3.058 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCCCNC1=O ZINC000298123281 260144141 /nfs/dbraw/zinc/14/41/41/260144141.db2.gz CERGQFYROORMGV-LBPRGKRZSA-N 1 2 298.839 3.058 20 30 CGEDLO COCCC1(C/[NH+]=C/c2cccc(OC)c2O)CCC1 ZINC000155036641 261097337 /nfs/dbraw/zinc/09/73/37/261097337.db2.gz SCNKHHMZPXCZOQ-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000490821232 261215278 /nfs/dbraw/zinc/21/52/78/261215278.db2.gz RNAQCVWHYHHHGD-AWEZNQCLSA-N 1 2 283.375 3.370 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000490821232 261215280 /nfs/dbraw/zinc/21/52/80/261215280.db2.gz RNAQCVWHYHHHGD-AWEZNQCLSA-N 1 2 283.375 3.370 20 30 CGEDLO Cc1cc[nH+]c(NCC2(CC#N)CC2)c1Br ZINC000309706034 262001376 /nfs/dbraw/zinc/00/13/76/262001376.db2.gz OKHXNKDGEKKYBC-UHFFFAOYSA-N 1 2 280.169 3.258 20 30 CGEDLO C[C@@H](c1ccsc1)[NH+]1CCN(CCCCC#N)CC1 ZINC000185443110 262054307 /nfs/dbraw/zinc/05/43/07/262054307.db2.gz XVALURHJCJZOBC-AWEZNQCLSA-N 1 2 277.437 3.121 20 30 CGEDLO N#C[C@H]1CCC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000193176435 262218031 /nfs/dbraw/zinc/21/80/31/262218031.db2.gz BOUXWLNKFLSIHV-KBPBESRZSA-N 1 2 266.348 3.367 20 30 CGEDLO C=C(C)CN(CC)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112964384 262630949 /nfs/dbraw/zinc/63/09/49/262630949.db2.gz VDTZVSFNHLBFTN-UHFFFAOYSA-N 1 2 268.364 3.249 20 30 CGEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000411901023 262709837 /nfs/dbraw/zinc/70/98/37/262709837.db2.gz DIXSEQYOYOQROA-GFCCVEGCSA-N 1 2 280.412 3.121 20 30 CGEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000411901023 262709838 /nfs/dbraw/zinc/70/98/38/262709838.db2.gz DIXSEQYOYOQROA-GFCCVEGCSA-N 1 2 280.412 3.121 20 30 CGEDLO C[C@@H]([NH2+]CCC(C)(C)C#N)c1nc(Cc2ccccc2)no1 ZINC000273281783 263014743 /nfs/dbraw/zinc/01/47/43/263014743.db2.gz GWXOQWJHHHYGKQ-CYBMUJFWSA-N 1 2 298.390 3.251 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000276292462 263035528 /nfs/dbraw/zinc/03/55/28/263035528.db2.gz IDRFIVUGHJJIIO-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000276292462 263035529 /nfs/dbraw/zinc/03/55/29/263035529.db2.gz IDRFIVUGHJJIIO-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000438102016 263042823 /nfs/dbraw/zinc/04/28/23/263042823.db2.gz CKVXWELYICPZJX-NSHDSACASA-N 1 2 271.339 3.431 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000438102016 263042824 /nfs/dbraw/zinc/04/28/24/263042824.db2.gz CKVXWELYICPZJX-NSHDSACASA-N 1 2 271.339 3.431 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714431 263049831 /nfs/dbraw/zinc/04/98/31/263049831.db2.gz UQAREAXQVOUBOM-KCXAZCMYSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714431 263049832 /nfs/dbraw/zinc/04/98/32/263049832.db2.gz UQAREAXQVOUBOM-KCXAZCMYSA-N 1 2 290.794 3.406 20 30 CGEDLO CC(C)C[C@H](C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000282026006 263073675 /nfs/dbraw/zinc/07/36/75/263073675.db2.gz PRALNDSXNHFMKY-HNNXBMFYSA-N 1 2 259.397 3.479 20 30 CGEDLO CC(C)C[C@H](C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000282026006 263073676 /nfs/dbraw/zinc/07/36/76/263073676.db2.gz PRALNDSXNHFMKY-HNNXBMFYSA-N 1 2 259.397 3.479 20 30 CGEDLO CO[C@H](C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000284332640 263086486 /nfs/dbraw/zinc/08/64/86/263086486.db2.gz ITTURNVOPPTMRH-QGZVFWFLSA-N 1 2 284.359 3.383 20 30 CGEDLO CO[C@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000284332640 263086487 /nfs/dbraw/zinc/08/64/87/263086487.db2.gz ITTURNVOPPTMRH-QGZVFWFLSA-N 1 2 284.359 3.383 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000340406310 263135773 /nfs/dbraw/zinc/13/57/73/263135773.db2.gz AXUGXZRYKCYYQS-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293312593 263139208 /nfs/dbraw/zinc/13/92/08/263139208.db2.gz XDPDTLILDLOMEZ-UHFFFAOYSA-N 1 2 280.375 3.128 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293312593 263139209 /nfs/dbraw/zinc/13/92/09/263139209.db2.gz XDPDTLILDLOMEZ-UHFFFAOYSA-N 1 2 280.375 3.128 20 30 CGEDLO N#CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000299517901 263244930 /nfs/dbraw/zinc/24/49/30/263244930.db2.gz CSKCJDAFIXFQIN-NSHDSACASA-N 1 2 260.234 3.322 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ncc(C)cn1 ZINC000340659093 263255809 /nfs/dbraw/zinc/25/58/09/263255809.db2.gz NERXTIIPIUTXEK-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ncc(C)cn1 ZINC000340659093 263255810 /nfs/dbraw/zinc/25/58/10/263255810.db2.gz NERXTIIPIUTXEK-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=C1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000341991130 263382234 /nfs/dbraw/zinc/38/22/34/263382234.db2.gz FNPRAZQQLNOBCP-UHFFFAOYSA-N 1 2 272.392 3.080 20 30 CGEDLO CCCC1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000330702297 264017910 /nfs/dbraw/zinc/01/79/10/264017910.db2.gz KBBSXVANTBUROL-UHFFFAOYSA-N 1 2 292.427 3.125 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000343254447 264222772 /nfs/dbraw/zinc/22/27/72/264222772.db2.gz VKAHREXOYYQPNB-ZDUSSCGKSA-N 1 2 276.405 3.033 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000343254447 264222773 /nfs/dbraw/zinc/22/27/73/264222773.db2.gz VKAHREXOYYQPNB-ZDUSSCGKSA-N 1 2 276.405 3.033 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1c(Cl)cnn1C ZINC000189803451 264326670 /nfs/dbraw/zinc/32/66/70/264326670.db2.gz KQJCYZIFWLXXFT-UHFFFAOYSA-N 1 2 289.810 3.304 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1c(Cl)cnn1C ZINC000189803451 264326672 /nfs/dbraw/zinc/32/66/72/264326672.db2.gz KQJCYZIFWLXXFT-UHFFFAOYSA-N 1 2 289.810 3.304 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000280971990 264469975 /nfs/dbraw/zinc/46/99/75/264469975.db2.gz AJIVEFDVHCSZNQ-MRXNPFEDSA-N 1 2 283.375 3.016 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000289494054 264723984 /nfs/dbraw/zinc/72/39/84/264723984.db2.gz CSLYGOIYIKVPKH-QGZVFWFLSA-N 1 2 283.396 3.303 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000289494054 264723987 /nfs/dbraw/zinc/72/39/87/264723987.db2.gz CSLYGOIYIKVPKH-QGZVFWFLSA-N 1 2 283.396 3.303 20 30 CGEDLO C[C@H]1COCC[N@@H+]1CCSc1ccc(C#N)cc1Cl ZINC000188323940 270069324 /nfs/dbraw/zinc/06/93/24/270069324.db2.gz VYJQORRPXZOAFE-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@H]1COCC[N@H+]1CCSc1ccc(C#N)cc1Cl ZINC000188323940 270069325 /nfs/dbraw/zinc/06/93/25/270069325.db2.gz VYJQORRPXZOAFE-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1COCC[N@H+]1CCSc1ccc(C#N)cc1Cl ZINC000188323916 267068028 /nfs/dbraw/zinc/06/80/28/267068028.db2.gz VYJQORRPXZOAFE-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1COCC[N@@H+]1CCSc1ccc(C#N)cc1Cl ZINC000188323916 267068024 /nfs/dbraw/zinc/06/80/24/267068024.db2.gz VYJQORRPXZOAFE-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)no1 ZINC000363285379 267084868 /nfs/dbraw/zinc/08/48/68/267084868.db2.gz JLNADFIIZWTULJ-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)no1 ZINC000363285379 267084870 /nfs/dbraw/zinc/08/48/70/267084870.db2.gz JLNADFIIZWTULJ-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)no1 ZINC000370001122 267281277 /nfs/dbraw/zinc/28/12/77/267281277.db2.gz GQWGMLKMZZWVNL-ZDUSSCGKSA-N 1 2 276.384 3.235 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)no1 ZINC000370001122 267281274 /nfs/dbraw/zinc/28/12/74/267281274.db2.gz GQWGMLKMZZWVNL-ZDUSSCGKSA-N 1 2 276.384 3.235 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000528770901 270172519 /nfs/dbraw/zinc/17/25/19/270172519.db2.gz VWERUEUOUXCZLW-JTQLQIEISA-N 1 2 268.282 3.317 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000528770901 270172520 /nfs/dbraw/zinc/17/25/20/270172520.db2.gz VWERUEUOUXCZLW-JTQLQIEISA-N 1 2 268.282 3.317 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000353635121 279295688 /nfs/dbraw/zinc/29/56/88/279295688.db2.gz MXASKSVWZNUYRN-UHFFFAOYSA-N 1 2 289.806 3.194 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCOCC2(CCC2)C1 ZINC000353635121 279295689 /nfs/dbraw/zinc/29/56/89/279295689.db2.gz MXASKSVWZNUYRN-UHFFFAOYSA-N 1 2 289.806 3.194 20 30 CGEDLO Cc1cc(N2CCSC3(CCC3)CC2)c(C#N)c[nH+]1 ZINC000335083083 301340576 /nfs/dbraw/zinc/34/05/76/301340576.db2.gz RYBAOBJGQBSSQL-UHFFFAOYSA-N 1 2 273.405 3.128 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)s1 ZINC000289368195 303190775 /nfs/dbraw/zinc/19/07/75/303190775.db2.gz LBSCSBPKLRAVGQ-CQSZACIVSA-N 1 2 272.377 3.070 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)s1 ZINC000289368195 303190776 /nfs/dbraw/zinc/19/07/76/303190776.db2.gz LBSCSBPKLRAVGQ-CQSZACIVSA-N 1 2 272.377 3.070 20 30 CGEDLO N#Cc1sc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1Cl ZINC000278773867 303219092 /nfs/dbraw/zinc/21/90/92/303219092.db2.gz VBAUBSKUYGVJDG-MRVPVSSYSA-N 1 2 293.783 3.123 20 30 CGEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000339392500 328009224 /nfs/dbraw/zinc/00/92/24/328009224.db2.gz HJKCUUGIXWUANG-QGZVFWFLSA-N 1 2 298.342 3.140 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000563366087 328059649 /nfs/dbraw/zinc/05/96/49/328059649.db2.gz OXAPAHKFYNXPEP-WCQYABFASA-N 1 2 293.798 3.257 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000266937839 328170570 /nfs/dbraw/zinc/17/05/70/328170570.db2.gz QDZSBCZSDCLDMR-UHFFFAOYSA-N 1 2 294.782 3.237 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000266937839 328170571 /nfs/dbraw/zinc/17/05/71/328170571.db2.gz QDZSBCZSDCLDMR-UHFFFAOYSA-N 1 2 294.782 3.237 20 30 CGEDLO CCCCCCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000267105504 328172833 /nfs/dbraw/zinc/17/28/33/328172833.db2.gz MFHWJBLYFOOBDG-OAHLLOKOSA-N 1 2 279.428 3.386 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000272646888 328200330 /nfs/dbraw/zinc/20/03/30/328200330.db2.gz YPAACQWJVWNGBL-UHFFFAOYSA-N 1 2 271.320 3.060 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2F)CCC1 ZINC000258995373 326879946 /nfs/dbraw/zinc/87/99/46/326879946.db2.gz VXLCTVXMIVHOOI-UHFFFAOYSA-N 1 2 252.720 3.263 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000584122657 327045072 /nfs/dbraw/zinc/04/50/72/327045072.db2.gz YOEMXPDHNVXKOM-RHSMWYFYSA-N 1 2 297.402 3.412 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000584122657 327045074 /nfs/dbraw/zinc/04/50/74/327045074.db2.gz YOEMXPDHNVXKOM-RHSMWYFYSA-N 1 2 297.402 3.412 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000155372191 327392457 /nfs/dbraw/zinc/39/24/57/327392457.db2.gz SNTGGOCDOFTVAB-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000155372191 327392458 /nfs/dbraw/zinc/39/24/58/327392458.db2.gz SNTGGOCDOFTVAB-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO COc1cc(C)ccc1CNc1cc(CC#N)cc[nH+]1 ZINC000570404449 327589162 /nfs/dbraw/zinc/58/91/62/327589162.db2.gz ICKKNGFZSDZVMW-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000582554536 329111003 /nfs/dbraw/zinc/11/10/03/329111003.db2.gz OXPIECJLVBRFRO-ZDUSSCGKSA-N 1 2 273.311 3.263 20 30 CGEDLO CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)C[C@H](C)C#N ZINC000173200928 329143668 /nfs/dbraw/zinc/14/36/68/329143668.db2.gz AWMBRZCMDQWDHM-CQSZACIVSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)C[C@H](C)C#N ZINC000173200928 329143669 /nfs/dbraw/zinc/14/36/69/329143669.db2.gz AWMBRZCMDQWDHM-CQSZACIVSA-N 1 2 296.418 3.471 20 30 CGEDLO CCCCc1nc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000057872806 329678132 /nfs/dbraw/zinc/67/81/32/329678132.db2.gz MOSOMVWNCHNXFX-UHFFFAOYSA-N 1 2 263.410 3.221 20 30 CGEDLO C=CCCC1(c2nc(Cc3ccc[nH+]c3C)no2)CC1 ZINC000420512540 329773351 /nfs/dbraw/zinc/77/33/51/329773351.db2.gz RXKRWLAKQUDQBF-UHFFFAOYSA-N 1 2 269.348 3.362 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)nn1 ZINC000424301026 330337836 /nfs/dbraw/zinc/33/78/36/330337836.db2.gz ZDBMXHSYYUSWAC-ZDUSSCGKSA-N 1 2 296.374 3.370 20 30 CGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C#N)CC1 ZINC000057872860 330379230 /nfs/dbraw/zinc/37/92/30/330379230.db2.gz HKRZSMWEDHSCBZ-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119816839 330380075 /nfs/dbraw/zinc/38/00/75/330380075.db2.gz GXMBMBDWQZBYPB-UHFFFAOYSA-N 1 2 254.717 3.256 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119816839 330380076 /nfs/dbraw/zinc/38/00/76/330380076.db2.gz GXMBMBDWQZBYPB-UHFFFAOYSA-N 1 2 254.717 3.256 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000424584043 330389138 /nfs/dbraw/zinc/38/91/38/330389138.db2.gz NERWPNOSGQHYBI-UHFFFAOYSA-N 1 2 299.418 3.453 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc(C(F)(F)F)s1 ZINC000447797960 330877267 /nfs/dbraw/zinc/87/72/67/330877267.db2.gz PMXDPUADIZCKJU-UHFFFAOYSA-N 1 2 262.300 3.336 20 30 CGEDLO C=CCC1(C(=O)NCCc2cn3ccccc3[nH+]2)CCCC1 ZINC000449204565 330906041 /nfs/dbraw/zinc/90/60/41/330906041.db2.gz MCDLGKZOIITDRY-UHFFFAOYSA-N 1 2 297.402 3.130 20 30 CGEDLO C=CCc1cc(C[NH2+][C@H](CC)C(F)F)cc(OC)c1O ZINC000449361459 330918694 /nfs/dbraw/zinc/91/86/94/330918694.db2.gz KPSKLCZWXXBBJX-GFCCVEGCSA-N 1 2 285.334 3.263 20 30 CGEDLO C=C(C)C[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccccc1 ZINC000450886328 331004691 /nfs/dbraw/zinc/00/46/91/331004691.db2.gz FOTKJJIFHYZYMB-UHFFFAOYSA-N 1 2 296.418 3.266 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccccc1 ZINC000450886328 331004692 /nfs/dbraw/zinc/00/46/92/331004692.db2.gz FOTKJJIFHYZYMB-UHFFFAOYSA-N 1 2 296.418 3.266 20 30 CGEDLO C=CCCCCCN(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455489937 331170883 /nfs/dbraw/zinc/17/08/83/331170883.db2.gz UHEDMNFGJDSXJI-KBPBESRZSA-N 1 2 290.411 3.277 20 30 CGEDLO C=CC[C@@H](C(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456366858 331191191 /nfs/dbraw/zinc/19/11/91/331191191.db2.gz WNFWWJVSDUECTA-GDBMZVCRSA-N 1 2 297.402 3.440 20 30 CGEDLO C#C[C@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C(C)C ZINC000491099354 332149716 /nfs/dbraw/zinc/14/97/16/332149716.db2.gz AQZIPISEHYDWGU-INIZCTEOSA-N 1 2 294.354 3.262 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000491393598 332203279 /nfs/dbraw/zinc/20/32/79/332203279.db2.gz IOMOURADAIMWPQ-LLVKDONJSA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000491393598 332203280 /nfs/dbraw/zinc/20/32/80/332203280.db2.gz IOMOURADAIMWPQ-LLVKDONJSA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000491505030 332224814 /nfs/dbraw/zinc/22/48/14/332224814.db2.gz KEQBSBLLMJRTAV-MRXNPFEDSA-N 1 2 284.290 3.198 20 30 CGEDLO C#CCN(C(=O)Nc1c(C)cc[nH+]c1C)C1CCCC1 ZINC000491629929 332252722 /nfs/dbraw/zinc/25/27/22/332252722.db2.gz NEJOOWJXWHAJSZ-UHFFFAOYSA-N 1 2 271.364 3.108 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ncc(C)o1 ZINC000491691484 332288350 /nfs/dbraw/zinc/28/83/50/332288350.db2.gz PAROOOMSHJCYKS-CQSZACIVSA-N 1 2 254.333 3.179 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1ncc(C)o1 ZINC000491691484 332288352 /nfs/dbraw/zinc/28/83/52/332288352.db2.gz PAROOOMSHJCYKS-CQSZACIVSA-N 1 2 254.333 3.179 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(Cl)cc1 ZINC000491700770 332295333 /nfs/dbraw/zinc/29/53/33/332295333.db2.gz FDKNVKBDAHMDPQ-OAHLLOKOSA-N 1 2 286.762 3.208 20 30 CGEDLO C#C[C@H]([NH2+]Cc1scnc1C)c1ccc(F)cc1 ZINC000491808480 332361482 /nfs/dbraw/zinc/36/14/82/332361482.db2.gz WCCLCKRMAFZRHJ-ZDUSSCGKSA-N 1 2 260.337 3.055 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492252288 332389255 /nfs/dbraw/zinc/38/92/55/332389255.db2.gz MQKBCEKYGLKDPD-KHPPLWFESA-N 1 2 295.386 3.131 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000500780980 332618773 /nfs/dbraw/zinc/61/87/73/332618773.db2.gz MRUNFTGWXQJMEU-CVEARBPZSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CC[C@@H](CO)Nc1cc[nH+]c2c(OCCC)cccc12 ZINC000194738041 333276666 /nfs/dbraw/zinc/27/66/66/333276666.db2.gz OXPUXWUROUHRGA-ZDUSSCGKSA-N 1 2 286.375 3.373 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)OC(C)(C)C ZINC000523437591 333326802 /nfs/dbraw/zinc/32/68/02/333326802.db2.gz WKOLIZVKTKOQMB-GFCCVEGCSA-N 1 2 281.421 3.466 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)OC(C)(C)C ZINC000523437591 333326803 /nfs/dbraw/zinc/32/68/03/333326803.db2.gz WKOLIZVKTKOQMB-GFCCVEGCSA-N 1 2 281.421 3.466 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)(C)C)c(C)o1 ZINC000524811477 333388738 /nfs/dbraw/zinc/38/87/38/333388738.db2.gz LEDUYGYQLQYLIQ-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(C)o1 ZINC000524811477 333388739 /nfs/dbraw/zinc/38/87/39/333388739.db2.gz LEDUYGYQLQYLIQ-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000544600577 333938896 /nfs/dbraw/zinc/93/88/96/333938896.db2.gz ZUHBBWSZDZCKET-NSHDSACASA-N 1 2 257.362 3.059 20 30 CGEDLO CC(C)c1cnc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000545220008 333970504 /nfs/dbraw/zinc/97/05/04/333970504.db2.gz RZDSMNYBABTOGP-UHFFFAOYSA-N 1 2 272.377 3.340 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000134918877 334108281 /nfs/dbraw/zinc/10/82/81/334108281.db2.gz JKWYGGBLSRFOPV-HNNXBMFYSA-N 1 2 291.782 3.206 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ccno1)c1ccc(F)c(F)c1 ZINC000548492133 334160404 /nfs/dbraw/zinc/16/04/04/334160404.db2.gz WUBIIOGSOKXXDW-AWEZNQCLSA-N 1 2 264.275 3.360 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000550490190 334223315 /nfs/dbraw/zinc/22/33/15/334223315.db2.gz YFWPYVMFPLXDDN-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000550490190 334223316 /nfs/dbraw/zinc/22/33/16/334223316.db2.gz YFWPYVMFPLXDDN-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO CCCCCCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267191988 334695445 /nfs/dbraw/zinc/69/54/45/334695445.db2.gz KELMHZIIRKKNKY-UHFFFAOYSA-N 1 2 265.401 3.475 20 30 CGEDLO CC(C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000194960997 336041155 /nfs/dbraw/zinc/04/11/55/336041155.db2.gz XHVHNKMCLFVNRK-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO CC(C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000194960997 336041156 /nfs/dbraw/zinc/04/11/56/336041156.db2.gz XHVHNKMCLFVNRK-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)no1 ZINC000194964311 336041218 /nfs/dbraw/zinc/04/12/18/336041218.db2.gz SKLHSHGWGXFQGE-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)no1 ZINC000194964311 336041219 /nfs/dbraw/zinc/04/12/19/336041219.db2.gz SKLHSHGWGXFQGE-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000366093834 534852629 /nfs/dbraw/zinc/85/26/29/534852629.db2.gz HJBNEPQJNSCZGT-QGZVFWFLSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000366093834 534852630 /nfs/dbraw/zinc/85/26/30/534852630.db2.gz HJBNEPQJNSCZGT-QGZVFWFLSA-N 1 2 298.365 3.076 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@@H](C)C#N ZINC000353287784 528763729 /nfs/dbraw/zinc/76/37/29/528763729.db2.gz RYTYCXKVOBZRLB-LBPRGKRZSA-N 1 2 287.338 3.462 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@@H](C)C#N ZINC000353287784 528763731 /nfs/dbraw/zinc/76/37/31/528763731.db2.gz RYTYCXKVOBZRLB-LBPRGKRZSA-N 1 2 287.338 3.462 20 30 CGEDLO CCS[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224581 529212368 /nfs/dbraw/zinc/21/23/68/529212368.db2.gz DXNGCZHQTJQYKO-ZIAGYGMSSA-N 1 2 275.421 3.160 20 30 CGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000727826949 571772193 /nfs/dbraw/zinc/77/21/93/571772193.db2.gz MGMVVUQEYIZKNX-UHFFFAOYSA-N 1 2 298.415 3.091 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc2c(c1)CCO2 ZINC000730148383 571951795 /nfs/dbraw/zinc/95/17/95/571951795.db2.gz RZEXEOKDLCYNCQ-UHFFFAOYSA-N 1 2 289.338 3.038 20 30 CGEDLO O=C1c2cc(OC(F)(F)F)ccc2C/C1=C/c1[nH]cc[nH+]1 ZINC000737451284 572344897 /nfs/dbraw/zinc/34/48/97/572344897.db2.gz XYCCIICMDYTILN-TWGQIWQCSA-N 1 2 294.232 3.131 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2nc3ccccc3s2)c1O ZINC000743341187 572648837 /nfs/dbraw/zinc/64/88/37/572648837.db2.gz VJTCKHPGEZOYTQ-YVLHZVERSA-N 1 2 298.367 3.369 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cn1cc(-c2ccccc2)cn1 ZINC000744148200 572713907 /nfs/dbraw/zinc/71/39/07/572713907.db2.gz ZNTNPULYURULQF-UHFFFAOYSA-N 1 2 282.391 3.379 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cn1cc(-c2ccccc2)cn1 ZINC000744148200 572713909 /nfs/dbraw/zinc/71/39/09/572713909.db2.gz ZNTNPULYURULQF-UHFFFAOYSA-N 1 2 282.391 3.379 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)C#N ZINC000735308306 572714463 /nfs/dbraw/zinc/71/44/63/572714463.db2.gz GODPBUVORRSXLR-GFCCVEGCSA-N 1 2 291.782 3.224 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)C#N ZINC000735308306 572714465 /nfs/dbraw/zinc/71/44/65/572714465.db2.gz GODPBUVORRSXLR-GFCCVEGCSA-N 1 2 291.782 3.224 20 30 CGEDLO CCCCN[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000735972129 572755380 /nfs/dbraw/zinc/75/53/80/572755380.db2.gz MYFPAOHVYQHJEQ-UHFFFAOYSA-N 1 2 286.832 3.120 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)c1 ZINC000745976959 572845812 /nfs/dbraw/zinc/84/58/12/572845812.db2.gz POPHAPQJZXUQNF-BMQZRQAQSA-N 1 2 291.391 3.413 20 30 CGEDLO CCO[C@H](CC/[NH+]=C/c1c(O)cccc1OC)C(C)C ZINC000746391838 572868769 /nfs/dbraw/zinc/86/87/69/572868769.db2.gz BWCOYUGKVPCHJJ-QAEAHILHSA-N 1 2 279.380 3.271 20 30 CGEDLO CCCNN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000747317434 572923906 /nfs/dbraw/zinc/92/39/06/572923906.db2.gz USJTUZVOROHVNA-UHFFFAOYSA-N 1 2 297.805 3.431 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1COc2ccccc2C1 ZINC000747713398 572942883 /nfs/dbraw/zinc/94/28/83/572942883.db2.gz VLGOBHSQGQGZEJ-NCUBORBFSA-N 1 2 267.328 3.062 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(C)c2C)C1 ZINC000957345683 613296402 /nfs/dbraw/zinc/29/64/02/613296402.db2.gz UCTOUZLCKCRYGC-UHFFFAOYSA-N 1 2 286.419 3.026 20 30 CGEDLO C=CCCCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890809259 617865651 /nfs/dbraw/zinc/86/56/51/617865651.db2.gz QFBHTMZBTREUNL-UHFFFAOYSA-N 1 2 271.364 3.071 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255207021 618078208 /nfs/dbraw/zinc/07/82/08/618078208.db2.gz BMIJLVORESUUKP-HJWRWDBZSA-N 1 2 273.295 3.102 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000890890063 617891909 /nfs/dbraw/zinc/89/19/09/617891909.db2.gz IAXAYWNMFQHGAZ-CYBMUJFWSA-N 1 2 290.432 3.096 20 30 CGEDLO C#Cc1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000891313679 618103009 /nfs/dbraw/zinc/10/30/09/618103009.db2.gz UVXGZHZXEUOMDR-INIZCTEOSA-N 1 2 281.359 3.090 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1c2c(nn1C)CCC2 ZINC000891509395 618233902 /nfs/dbraw/zinc/23/39/02/618233902.db2.gz MOSFXVAWZZGZEX-UHFFFAOYSA-N 1 2 287.432 3.159 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1c2c(nn1C)CCC2 ZINC000891509395 618233905 /nfs/dbraw/zinc/23/39/05/618233905.db2.gz MOSFXVAWZZGZEX-UHFFFAOYSA-N 1 2 287.432 3.159 20 30 CGEDLO CCc1onc(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770036 618323160 /nfs/dbraw/zinc/32/31/60/618323160.db2.gz JBASMGYPZLIEAO-UHFFFAOYSA-N 1 2 275.377 3.111 20 30 CGEDLO CCc1onc(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770036 618323169 /nfs/dbraw/zinc/32/31/69/618323169.db2.gz JBASMGYPZLIEAO-UHFFFAOYSA-N 1 2 275.377 3.111 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1c2c(nn1C)CCC2 ZINC000891937214 618395989 /nfs/dbraw/zinc/39/59/89/618395989.db2.gz BSRSZSXTMCCNMC-UHFFFAOYSA-N 1 2 288.439 3.061 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c2c(nn1C)CCC2 ZINC000891937214 618396002 /nfs/dbraw/zinc/39/60/02/618396002.db2.gz BSRSZSXTMCCNMC-UHFFFAOYSA-N 1 2 288.439 3.061 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1noc(-c2ccccc2)n1 ZINC000934462349 618623834 /nfs/dbraw/zinc/62/38/34/618623834.db2.gz SYSCWHBUBIQNKE-OCCSQVGLSA-N 1 2 269.348 3.448 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1noc(-c2ccccc2)n1 ZINC000934462349 618623836 /nfs/dbraw/zinc/62/38/36/618623836.db2.gz SYSCWHBUBIQNKE-OCCSQVGLSA-N 1 2 269.348 3.448 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000934467940 618625932 /nfs/dbraw/zinc/62/59/32/618625932.db2.gz WDNODTRLYGNDSV-NSHDSACASA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000934467940 618625933 /nfs/dbraw/zinc/62/59/33/618625933.db2.gz WDNODTRLYGNDSV-NSHDSACASA-N 1 2 289.766 3.139 20 30 CGEDLO O=C1c2ccccc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000255513689 618639487 /nfs/dbraw/zinc/63/94/87/618639487.db2.gz MPDPXLYEYXQFTP-QBFSEMIESA-N 1 2 260.296 3.157 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3cncc(F)c3)c[nH+]c12 ZINC000255564493 618685123 /nfs/dbraw/zinc/68/51/23/618685123.db2.gz KVJYZCSFBARIFL-PLNGDYQASA-N 1 2 281.290 3.073 20 30 CGEDLO COc1ccc2ccc(NCCCCC#N)[nH+]c2c1 ZINC000892328535 618695645 /nfs/dbraw/zinc/69/56/45/618695645.db2.gz VFIAQEVHAVBGOF-UHFFFAOYSA-N 1 2 255.321 3.349 20 30 CGEDLO COc1ccc(N[NH+]=C(C)c2csc(N)n2)cc1Cl ZINC000782231623 618744709 /nfs/dbraw/zinc/74/47/09/618744709.db2.gz VQQQQQIQRCXXID-UHFFFAOYSA-N 1 2 296.783 3.223 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccsc1 ZINC000180313402 618873997 /nfs/dbraw/zinc/87/39/97/618873997.db2.gz PDGDCKBSWGGYHO-SNAWJCMRSA-N 1 2 254.314 3.292 20 30 CGEDLO C=CC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccncc1 ZINC000892973969 618967888 /nfs/dbraw/zinc/96/78/88/618967888.db2.gz ZZLSUMQIQOCOSJ-CYBMUJFWSA-N 1 2 288.420 3.464 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925676073 619125535 /nfs/dbraw/zinc/12/55/35/619125535.db2.gz YIHBPNPJKKZDQG-FAXLKDOZSA-N 1 2 288.391 3.261 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893606441 619235137 /nfs/dbraw/zinc/23/51/37/619235137.db2.gz PQUQXSXTZWAVQD-MRVPVSSYSA-N 1 2 277.315 3.030 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH2+][C@H](C)CC(C)(C)C#N)no1 ZINC000893674596 619276719 /nfs/dbraw/zinc/27/67/19/619276719.db2.gz KJIIKELFIUXIHM-CYBMUJFWSA-N 1 2 298.390 3.463 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000932151890 619304353 /nfs/dbraw/zinc/30/43/53/619304353.db2.gz KQOYMMPNECYRLB-LBPRGKRZSA-N 1 2 271.389 3.074 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000932151890 619304355 /nfs/dbraw/zinc/30/43/55/619304355.db2.gz KQOYMMPNECYRLB-LBPRGKRZSA-N 1 2 271.389 3.074 20 30 CGEDLO Cc1n[nH]c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC000894085574 619365820 /nfs/dbraw/zinc/36/58/20/619365820.db2.gz POYGYRWKSXKICH-SJLPKXTDSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1n[nH]c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC000894085574 619365822 /nfs/dbraw/zinc/36/58/22/619365822.db2.gz POYGYRWKSXKICH-SJLPKXTDSA-N 1 2 294.402 3.298 20 30 CGEDLO CSc1ccc(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000897629128 620414285 /nfs/dbraw/zinc/41/42/85/620414285.db2.gz QWVDBCPPBOLCHU-UHFFFAOYSA-N 1 2 281.431 3.088 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218578 620489680 /nfs/dbraw/zinc/48/96/80/620489680.db2.gz KMHJBPMXTSZZOV-JQWIXIFHSA-N 1 2 264.756 3.218 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)ccc1OC ZINC000901442785 620888831 /nfs/dbraw/zinc/88/88/31/620888831.db2.gz KVZSWWMCZXMOPU-VOTSOKGWSA-N 1 2 270.332 3.116 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2ccc(F)cc2C1=O ZINC000901490060 620898856 /nfs/dbraw/zinc/89/88/56/620898856.db2.gz MTOMGHVFXSDRSR-KPKJPENVSA-N 1 2 270.307 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1c(C)cc(C)cc1O ZINC000901503422 620902922 /nfs/dbraw/zinc/90/29/22/620902922.db2.gz CSKAJZJMQJDSTK-WAYWQWQTSA-N 1 2 270.332 3.122 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2ccc(C)cc2C1=O ZINC000901486647 620911321 /nfs/dbraw/zinc/91/13/21/620911321.db2.gz OMHPKEPHPWTWIG-NTEUORMPSA-N 1 2 266.344 3.424 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2cc3c(s2)CCC3)[nH+]c1C ZINC000901486124 620911811 /nfs/dbraw/zinc/91/18/11/620911811.db2.gz YADLZWCUNPHZHC-VOTSOKGWSA-N 1 2 272.373 3.473 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(OC)cc1C ZINC000901520005 620925549 /nfs/dbraw/zinc/92/55/49/620925549.db2.gz SWLHJLVMXZHWJR-YVMONPNESA-N 1 2 270.332 3.116 20 30 CGEDLO COc1ccc2c(c1)C/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901543740 620932346 /nfs/dbraw/zinc/93/23/46/620932346.db2.gz KUELLOQHRRKHGC-NTUHNPAUSA-N 1 2 282.343 3.295 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C)n(CCC)c1=S ZINC000902669355 621395944 /nfs/dbraw/zinc/39/59/44/621395944.db2.gz LFIRPBDIZWJQJX-UHFFFAOYSA-N 1 2 282.457 3.378 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C)n(CCC)c1=S ZINC000902669355 621395947 /nfs/dbraw/zinc/39/59/47/621395947.db2.gz LFIRPBDIZWJQJX-UHFFFAOYSA-N 1 2 282.457 3.378 20 30 CGEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1O ZINC000903106440 621580354 /nfs/dbraw/zinc/58/03/54/621580354.db2.gz QKUZRKZNUVIBRL-LBPRGKRZSA-N 1 2 264.756 3.390 20 30 CGEDLO C[NH+](C)c1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000057611275 622879982 /nfs/dbraw/zinc/87/99/82/622879982.db2.gz YXWLLJHQMJNUTQ-UHFFFAOYSA-N 1 2 269.323 3.375 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913711376 623566319 /nfs/dbraw/zinc/56/63/19/623566319.db2.gz RALRPTYHQUBAIF-GOSISDBHSA-N 1 2 297.402 3.269 20 30 CGEDLO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(F)cc1N(C)C ZINC000835000275 623847153 /nfs/dbraw/zinc/84/71/53/623847153.db2.gz JTSPWAVZEHXSDZ-VIFPVBQESA-N 1 2 291.292 3.156 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208970 623918003 /nfs/dbraw/zinc/91/80/03/623918003.db2.gz JLJKDTPZSANLCR-LBPRGKRZSA-N 1 2 294.468 3.411 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208970 623918007 /nfs/dbraw/zinc/91/80/07/623918007.db2.gz JLJKDTPZSANLCR-LBPRGKRZSA-N 1 2 294.468 3.411 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2)no1)C(C)C ZINC000917069793 624234020 /nfs/dbraw/zinc/23/40/20/624234020.db2.gz VZJWUKKWMXIXTL-UHFFFAOYSA-N 1 2 271.364 3.057 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2)no1)C(C)C ZINC000917069793 624234021 /nfs/dbraw/zinc/23/40/21/624234021.db2.gz VZJWUKKWMXIXTL-UHFFFAOYSA-N 1 2 271.364 3.057 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000179567428 624666521 /nfs/dbraw/zinc/66/65/21/624666521.db2.gz RIQUAGNWMJPMSC-HNNXBMFYSA-N 1 2 280.371 3.077 20 30 CGEDLO C#CCOc1ccccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000179567428 624666526 /nfs/dbraw/zinc/66/65/26/624666526.db2.gz RIQUAGNWMJPMSC-HNNXBMFYSA-N 1 2 280.371 3.077 20 30 CGEDLO COc1ccsc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000184768046 625270932 /nfs/dbraw/zinc/27/09/32/625270932.db2.gz BBUOOVGTBJMTSW-AATRIKPKSA-N 1 2 284.340 3.301 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](CC(=C)Cl)C(=O)OCC ZINC000877672202 635140671 /nfs/dbraw/zinc/14/06/71/635140671.db2.gz YONJDEWLWNPEJL-NWDGAFQWSA-N 1 2 259.777 3.005 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000839170211 626325225 /nfs/dbraw/zinc/32/52/25/626325225.db2.gz YYFVPDVLNQXLCU-SQNIBIBYSA-N 1 2 299.414 3.257 20 30 CGEDLO CCOCC(C)(C)C/[NH+]=C/c1ccc(OCC)cc1O ZINC000809144202 626360590 /nfs/dbraw/zinc/36/05/90/626360590.db2.gz HBZVVUSDFWGCPJ-LICLKQGHSA-N 1 2 279.380 3.273 20 30 CGEDLO Cc1cc2ncn(C[N@@H+](C[C@@H](C)C#N)C3CC3)c2cc1C ZINC000753988422 626470893 /nfs/dbraw/zinc/47/08/93/626470893.db2.gz QDCUKNUAHXUNDK-LBPRGKRZSA-N 1 2 282.391 3.235 20 30 CGEDLO Cc1cc2ncn(C[N@H+](C[C@@H](C)C#N)C3CC3)c2cc1C ZINC000753988422 626470894 /nfs/dbraw/zinc/47/08/94/626470894.db2.gz QDCUKNUAHXUNDK-LBPRGKRZSA-N 1 2 282.391 3.235 20 30 CGEDLO Cc1cc(C)cc(N[NH+]=Cc2cnc(N(C)C)s2)c1 ZINC000755566653 626629849 /nfs/dbraw/zinc/62/98/49/626629849.db2.gz YENPYYLVTQBSKM-UHFFFAOYSA-N 1 2 274.393 3.272 20 30 CGEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccc(N(C)C)cc1 ZINC000756842414 626736857 /nfs/dbraw/zinc/73/68/57/626736857.db2.gz QRNACEGMRRJXBA-UHFFFAOYSA-N 1 2 288.782 3.059 20 30 CGEDLO Fc1ccc(CON=Cc2cccc3[nH+]ccn32)cc1 ZINC000758143429 626830635 /nfs/dbraw/zinc/83/06/35/626830635.db2.gz RBDNYETWQHHQLX-UHFFFAOYSA-N 1 2 269.279 3.024 20 30 CGEDLO C#CCCCCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000760276872 626953631 /nfs/dbraw/zinc/95/36/31/626953631.db2.gz UQHMHNKOVJZYJZ-QGZVFWFLSA-N 1 2 287.403 3.416 20 30 CGEDLO C#CCCCCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000760276872 626953632 /nfs/dbraw/zinc/95/36/32/626953632.db2.gz UQHMHNKOVJZYJZ-QGZVFWFLSA-N 1 2 287.403 3.416 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055830 627011460 /nfs/dbraw/zinc/01/14/60/627011460.db2.gz NIHWTFOGEBYOAW-LLVKDONJSA-N 1 2 272.245 3.082 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761055830 627011461 /nfs/dbraw/zinc/01/14/61/627011461.db2.gz NIHWTFOGEBYOAW-LLVKDONJSA-N 1 2 272.245 3.082 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1cc(Cl)ccc1Cl ZINC000764700232 627219354 /nfs/dbraw/zinc/21/93/54/627219354.db2.gz WXLBHRKRPVFAQO-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cncc(C)c1 ZINC000767376637 627403458 /nfs/dbraw/zinc/40/34/58/627403458.db2.gz BXTAQXOGLXWBBN-UHFFFAOYSA-N 1 2 276.343 3.196 20 30 CGEDLO CCc1ncc(C[N@H+](CCC#N)CC(C)C)s1 ZINC000768153354 627463594 /nfs/dbraw/zinc/46/35/94/627463594.db2.gz DVDXQGHLVMZBOU-UHFFFAOYSA-N 1 2 251.399 3.077 20 30 CGEDLO CCc1ncc(C[N@@H+](CCC#N)CC(C)C)s1 ZINC000768153354 627463595 /nfs/dbraw/zinc/46/35/95/627463595.db2.gz DVDXQGHLVMZBOU-UHFFFAOYSA-N 1 2 251.399 3.077 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ncccc1C(F)(F)F ZINC000768153908 627464310 /nfs/dbraw/zinc/46/43/10/627464310.db2.gz PHMKAUIIVQUWDL-UHFFFAOYSA-N 1 2 285.313 3.472 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ncccc1C(F)(F)F ZINC000768153908 627464313 /nfs/dbraw/zinc/46/43/13/627464313.db2.gz PHMKAUIIVQUWDL-UHFFFAOYSA-N 1 2 285.313 3.472 20 30 CGEDLO C=C(C)CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000768800535 627501030 /nfs/dbraw/zinc/50/10/30/627501030.db2.gz ZUHDAXRTZAPULS-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000768800535 627501032 /nfs/dbraw/zinc/50/10/32/627501032.db2.gz ZUHDAXRTZAPULS-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ccc(C)cc1Br ZINC000769110413 627523123 /nfs/dbraw/zinc/52/31/23/627523123.db2.gz DAYNSGXOWWVKPW-UHFFFAOYSA-N 1 2 266.182 3.213 20 30 CGEDLO C#CC[N@H+](CC)Cc1ccc(C)cc1Br ZINC000769110413 627523125 /nfs/dbraw/zinc/52/31/25/627523125.db2.gz DAYNSGXOWWVKPW-UHFFFAOYSA-N 1 2 266.182 3.213 20 30 CGEDLO Fc1cccc(N=NCc2cccc3[nH+]ccn32)c1F ZINC000771101900 627683213 /nfs/dbraw/zinc/68/32/13/627683213.db2.gz YVABCIZQNPCRPW-UHFFFAOYSA-N 1 2 272.258 3.059 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ncc(Cl)s2)ccc1F ZINC000774751890 628023886 /nfs/dbraw/zinc/02/38/86/628023886.db2.gz RWLDEKGJJSILSB-UHFFFAOYSA-N 1 2 299.758 3.081 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1ncc(CC)o1)c1ccccc1 ZINC000775398704 628090868 /nfs/dbraw/zinc/09/08/68/628090868.db2.gz LCAUWSQIXXTGFS-OAHLLOKOSA-N 1 2 254.333 3.091 20 30 CGEDLO Cc1cccc(CNN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783853913 628751165 /nfs/dbraw/zinc/75/11/65/628751165.db2.gz HURQSXGXUAFLJI-UHFFFAOYSA-N 1 2 296.399 3.366 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1scnc1C1CC1 ZINC000787050653 628980499 /nfs/dbraw/zinc/98/04/99/628980499.db2.gz SXWPYCKUTBNPEP-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1scnc1C1CC1 ZINC000787050653 628980515 /nfs/dbraw/zinc/98/05/15/628980515.db2.gz SXWPYCKUTBNPEP-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO CO[C@H]1C[C@H](c2ccccc2)CCC1=[NH+]n1cccn1 ZINC000863163889 629486990 /nfs/dbraw/zinc/48/69/90/629486990.db2.gz SETQNRWXCRZGPM-ZBFHGGJFSA-N 1 2 269.348 3.070 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccccc2)s1 ZINC000794690097 629567765 /nfs/dbraw/zinc/56/77/65/629567765.db2.gz FWGYYBPZDOIPTH-CMDGGOBGSA-N 1 2 272.373 3.101 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@@H]2CCCS2)c1O ZINC000864347296 629816386 /nfs/dbraw/zinc/81/63/86/629816386.db2.gz OJSPQUZJHKXHIZ-XBUHWIKASA-N 1 2 265.378 3.105 20 30 CGEDLO N#C[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)C1 ZINC000799724113 630225713 /nfs/dbraw/zinc/22/57/13/630225713.db2.gz FFGQLUXZDLHDSU-DZGCQCFKSA-N 1 2 287.432 3.344 20 30 CGEDLO C#CC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000809717554 630790078 /nfs/dbraw/zinc/79/00/78/630790078.db2.gz JXYAJWGGNBQRDG-UHFFFAOYSA-N 1 2 289.382 3.209 20 30 CGEDLO C#CC[N@H+](Cc1nn(C)c2ccccc12)Cc1ccccc1 ZINC000809717554 630790082 /nfs/dbraw/zinc/79/00/82/630790082.db2.gz JXYAJWGGNBQRDG-UHFFFAOYSA-N 1 2 289.382 3.209 20 30 CGEDLO C#Cc1ccccc1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000810004416 630826967 /nfs/dbraw/zinc/82/69/67/630826967.db2.gz MDDXJKMHMKQEKA-UHFFFAOYSA-N 1 2 289.338 3.034 20 30 CGEDLO C[N@@H+]1CCCc2cc(NCc3nc(C#N)cs3)ccc21 ZINC000810149895 630848102 /nfs/dbraw/zinc/84/81/02/630848102.db2.gz WQHFMPJJNUTCKJ-UHFFFAOYSA-N 1 2 284.388 3.009 20 30 CGEDLO C[N@H+]1CCCc2cc(NCc3nc(C#N)cs3)ccc21 ZINC000810149895 630848105 /nfs/dbraw/zinc/84/81/05/630848105.db2.gz WQHFMPJJNUTCKJ-UHFFFAOYSA-N 1 2 284.388 3.009 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4ccc(C#N)cc4C3=O)n2c1 ZINC000811696987 631111306 /nfs/dbraw/zinc/11/13/06/631111306.db2.gz XJRAJCAMOAPLSR-NVNXTCNLSA-N 1 2 299.333 3.337 20 30 CGEDLO Clc1cccc(N2CCOCC2)c1C=[NH+]OC1CCC1 ZINC000812237350 631227650 /nfs/dbraw/zinc/22/76/50/631227650.db2.gz VUAFNGVIBYZTEP-UHFFFAOYSA-N 1 2 294.782 3.080 20 30 CGEDLO CC(=[NH+]Nc1cc(C)ccc1C)c1csc(N)n1 ZINC000812435663 631260747 /nfs/dbraw/zinc/26/07/47/631260747.db2.gz QHTGSKHYLVSRSP-UHFFFAOYSA-N 1 2 260.366 3.178 20 30 CGEDLO CC(=NOCCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814247222 631561256 /nfs/dbraw/zinc/56/12/56/631561256.db2.gz WXFOGOYMRZAUBK-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO COc1ccc2c(c1)[nH+]ccc2N(C)CC(C)(C)C#N ZINC000814373441 631577090 /nfs/dbraw/zinc/57/70/90/631577090.db2.gz PBTSBWIBUOHVFX-UHFFFAOYSA-N 1 2 269.348 3.229 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)CC3(C#N)CC3)c2)[nH+]c1C ZINC000815099036 631716896 /nfs/dbraw/zinc/71/68/96/631716896.db2.gz PZHLEUXUJWHXJC-UHFFFAOYSA-N 1 2 294.358 3.326 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000815644697 631811700 /nfs/dbraw/zinc/81/17/00/631811700.db2.gz KBPXAZLRATYKGO-NSHDSACASA-N 1 2 253.292 3.004 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccoc1 ZINC000820639437 632657925 /nfs/dbraw/zinc/65/79/25/632657925.db2.gz GXJUIENFVBFRKF-UHFFFAOYSA-N 1 2 256.305 3.079 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000866244236 633042475 /nfs/dbraw/zinc/04/24/75/633042475.db2.gz ZKKXHHPZZWMACO-STQMWFEESA-N 1 2 256.349 3.271 20 30 CGEDLO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)c1 ZINC000866304864 633073394 /nfs/dbraw/zinc/07/33/94/633073394.db2.gz AKNNMAGTOZSLFA-CYBMUJFWSA-N 1 2 296.370 3.432 20 30 CGEDLO CSCCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866340722 633087836 /nfs/dbraw/zinc/08/78/36/633087836.db2.gz INXXSLVHSFLLLU-LBPRGKRZSA-N 1 2 278.421 3.448 20 30 CGEDLO CO[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C1CCCC1 ZINC000866391788 633119112 /nfs/dbraw/zinc/11/91/12/633119112.db2.gz PTFYBOJMYOOIIV-MLGOLLRUSA-N 1 2 288.391 3.120 20 30 CGEDLO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000824683515 633272411 /nfs/dbraw/zinc/27/24/11/633272411.db2.gz NFBOACLNQHGNHY-CABZTGNLSA-N 1 2 282.746 3.357 20 30 CGEDLO CC(C)c1nsc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000930201450 633605807 /nfs/dbraw/zinc/60/58/07/633605807.db2.gz DUDHQFGXKVNUEQ-NSHDSACASA-N 1 2 286.404 3.384 20 30 CGEDLO C#CCOc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000829027383 633681857 /nfs/dbraw/zinc/68/18/57/633681857.db2.gz SKBIJKYTPGNLKZ-UHFFFAOYSA-N 1 2 293.370 3.287 20 30 CGEDLO CC(=[NH+]NC[C@H]1CCCC1(F)F)c1cc(N)ccc1F ZINC000872407624 634135650 /nfs/dbraw/zinc/13/56/50/634135650.db2.gz YFAKIZAJSNJBER-SNVBAGLBSA-N 1 2 285.313 3.157 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(F)F ZINC000834828355 634249063 /nfs/dbraw/zinc/24/90/63/634249063.db2.gz RWVKMCUJXBVWPH-GWCFXTLKSA-N 1 2 268.307 3.283 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000834889736 634270336 /nfs/dbraw/zinc/27/03/36/634270336.db2.gz XHYMOAIMSFDBIO-MJBXVCDLSA-N 1 2 281.783 3.430 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835028332 634325893 /nfs/dbraw/zinc/32/58/93/634325893.db2.gz MHIAWWZLKCTEMX-RGDDUWESSA-N 1 2 283.419 3.390 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835028332 634325899 /nfs/dbraw/zinc/32/58/99/634325899.db2.gz MHIAWWZLKCTEMX-RGDDUWESSA-N 1 2 283.419 3.390 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000876866016 634916521 /nfs/dbraw/zinc/91/65/21/634916521.db2.gz MESQZEHMNIPOPA-CABCVRRESA-N 1 2 287.407 3.263 20 30 CGEDLO C=CC(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000837864775 635000220 /nfs/dbraw/zinc/00/02/20/635000220.db2.gz IIOSSYBDQWPCDI-UHFFFAOYSA-N 1 2 270.332 3.128 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCOC(C)(C)C2)c1O ZINC000840710349 635039274 /nfs/dbraw/zinc/03/92/74/635039274.db2.gz QGWPEVLHFIZDSH-PBSOMRJOSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cccnc1Br ZINC000877482280 635054760 /nfs/dbraw/zinc/05/47/60/635054760.db2.gz CGFWMHRRGAEFML-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cccnc1Br ZINC000877482280 635054766 /nfs/dbraw/zinc/05/47/66/635054766.db2.gz CGFWMHRRGAEFML-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000877813487 635220421 /nfs/dbraw/zinc/22/04/21/635220421.db2.gz ZSUQCGQGOYLENW-ZDUSSCGKSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000877813487 635220426 /nfs/dbraw/zinc/22/04/26/635220426.db2.gz ZSUQCGQGOYLENW-ZDUSSCGKSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000841760276 635233224 /nfs/dbraw/zinc/23/32/24/635233224.db2.gz DNMXIKGCZMGOEN-IAGOWNOFSA-N 1 2 292.386 3.326 20 30 CGEDLO N#CC1(CCO[NH+]=C(N)c2ccccc2)CCCCC1 ZINC000842013009 635254210 /nfs/dbraw/zinc/25/42/10/635254210.db2.gz GCADVAKVHSICOO-UHFFFAOYSA-N 1 2 271.364 3.397 20 30 CGEDLO C[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1cccc(C#N)c1 ZINC000878361126 635474242 /nfs/dbraw/zinc/47/42/42/635474242.db2.gz MOMRZAMFULIPMK-LBPRGKRZSA-N 1 2 281.359 3.276 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC000879311895 635753438 /nfs/dbraw/zinc/75/34/38/635753438.db2.gz YBVLWYBEWBDJQL-YPMHNXCESA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C#N ZINC000879311895 635753439 /nfs/dbraw/zinc/75/34/39/635753439.db2.gz YBVLWYBEWBDJQL-YPMHNXCESA-N 1 2 293.754 3.372 20 30 CGEDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000880109050 635916023 /nfs/dbraw/zinc/91/60/23/635916023.db2.gz OQGUPGSPRRIRLZ-LLVKDONJSA-N 1 2 286.766 3.161 20 30 CGEDLO C[C@H](CC(=O)O[C@H](C)c1cccc(C#N)c1)n1cc[nH+]c1 ZINC000845283219 636019413 /nfs/dbraw/zinc/01/94/13/636019413.db2.gz AGAFKXIYFAQBOK-CHWSQXEVSA-N 1 2 283.331 3.010 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc2ccccc2c1 ZINC000846993017 636302669 /nfs/dbraw/zinc/30/26/69/636302669.db2.gz MITPJPCAPUKCKI-OAHLLOKOSA-N 1 2 281.359 3.060 20 30 CGEDLO CCCCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000847611588 636402943 /nfs/dbraw/zinc/40/29/43/636402943.db2.gz NPDSYTOZFVBGPN-CYBMUJFWSA-N 1 2 265.401 3.065 20 30 CGEDLO CCCCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000847611588 636402945 /nfs/dbraw/zinc/40/29/45/636402945.db2.gz NPDSYTOZFVBGPN-CYBMUJFWSA-N 1 2 265.401 3.065 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000130303921 636439692 /nfs/dbraw/zinc/43/96/92/636439692.db2.gz DYQGFPKDTAQWSG-LBPRGKRZSA-N 1 2 269.186 3.373 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000130303921 636439699 /nfs/dbraw/zinc/43/96/99/636439699.db2.gz DYQGFPKDTAQWSG-LBPRGKRZSA-N 1 2 269.186 3.373 20 30 CGEDLO CC(N=NCCCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000848417070 636571551 /nfs/dbraw/zinc/57/15/51/636571551.db2.gz JTHWTDKCXVBXJH-UHFFFAOYSA-N 1 2 284.354 3.064 20 30 CGEDLO CC[C@@H]1CC[C@@H](C)CC1=NNCCCn1cc[nH+]c1 ZINC000848417441 636572324 /nfs/dbraw/zinc/57/23/24/636572324.db2.gz ZPGZLQRKDKBYHP-ZIAGYGMSSA-N 1 2 262.401 3.065 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2sccc2Cl)nn1 ZINC000883230901 636601545 /nfs/dbraw/zinc/60/15/45/636601545.db2.gz UAFFIMKVQSHYCD-LBPRGKRZSA-N 1 2 296.827 3.420 20 30 CGEDLO C=CCCCCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000848558980 636605394 /nfs/dbraw/zinc/60/53/94/636605394.db2.gz WTIRAPZBJFLHAO-KGLIPLIRSA-N 1 2 292.427 3.271 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC2=CCCC2)C1 ZINC000852331659 637636019 /nfs/dbraw/zinc/63/60/19/637636019.db2.gz NVTOERQDWKZWIK-KRWDZBQOSA-N 1 2 267.376 3.049 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2=CCCC2)C1 ZINC000852331659 637636027 /nfs/dbraw/zinc/63/60/27/637636027.db2.gz NVTOERQDWKZWIK-KRWDZBQOSA-N 1 2 267.376 3.049 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852326860 637636262 /nfs/dbraw/zinc/63/62/62/637636262.db2.gz PQKHDPZMEYNIDF-IBGZPJMESA-N 1 2 291.398 3.447 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852326860 637636270 /nfs/dbraw/zinc/63/62/70/637636270.db2.gz PQKHDPZMEYNIDF-IBGZPJMESA-N 1 2 291.398 3.447 20 30 CGEDLO C#CCC[N@@H+](CCOC)Cc1csc(C2CCCC2)n1 ZINC000852751497 637707158 /nfs/dbraw/zinc/70/71/58/637707158.db2.gz FOVCWDQDJLPEHK-UHFFFAOYSA-N 1 2 292.448 3.272 20 30 CGEDLO C#CCC[N@H+](CCOC)Cc1csc(C2CCCC2)n1 ZINC000852751497 637707161 /nfs/dbraw/zinc/70/71/61/637707161.db2.gz FOVCWDQDJLPEHK-UHFFFAOYSA-N 1 2 292.448 3.272 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC[C@H]1CCOC1 ZINC000853674621 637889544 /nfs/dbraw/zinc/88/95/44/637889544.db2.gz FZBIEYBLHWUHHM-HNNXBMFYSA-N 1 2 288.391 3.102 20 30 CGEDLO C=C/C=C/CC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926842189 638816717 /nfs/dbraw/zinc/81/67/17/638816717.db2.gz BWDYQUOWICAOCE-NFAHFFEMSA-N 1 2 256.349 3.437 20 30 CGEDLO CC(C)C[N@H+](Cc1nncs1)Cc1ccc(C#N)cc1 ZINC000929398497 638923584 /nfs/dbraw/zinc/92/35/84/638923584.db2.gz ZRBJQFOIFCWXRE-UHFFFAOYSA-N 1 2 286.404 3.068 20 30 CGEDLO CC(C)C[N@@H+](Cc1nncs1)Cc1ccc(C#N)cc1 ZINC000929398497 638923586 /nfs/dbraw/zinc/92/35/86/638923586.db2.gz ZRBJQFOIFCWXRE-UHFFFAOYSA-N 1 2 286.404 3.068 20 30 CGEDLO C#CC[C@@H](CCOC)Nc1[nH+]c2ccccc2cc1C ZINC000858856006 639030310 /nfs/dbraw/zinc/03/03/10/639030310.db2.gz AVBCGLZINHFAOD-HNNXBMFYSA-N 1 2 268.360 3.384 20 30 CGEDLO C=CCCCN(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000931226851 639124894 /nfs/dbraw/zinc/12/48/94/639124894.db2.gz RRMCLXCAKFXCPM-UHFFFAOYSA-N 1 2 272.352 3.154 20 30 CGEDLO C[C@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@H](C)C1(F)F ZINC000859412859 639138557 /nfs/dbraw/zinc/13/85/57/639138557.db2.gz ZEUZVFPBLKJLHH-QWRGUYRKSA-N 1 2 282.309 3.420 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2ccccc2F)o1)C(C)C ZINC000932389538 639324069 /nfs/dbraw/zinc/32/40/69/639324069.db2.gz AUYPDTOAFKJEOW-UHFFFAOYSA-N 1 2 272.323 3.324 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)C(C)C ZINC000932389538 639324075 /nfs/dbraw/zinc/32/40/75/639324075.db2.gz AUYPDTOAFKJEOW-UHFFFAOYSA-N 1 2 272.323 3.324 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3)CCO2)cc1 ZINC000933621356 639470405 /nfs/dbraw/zinc/47/04/05/639470405.db2.gz ARPZSLPRGRVFJS-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)cc1 ZINC000933621356 639470410 /nfs/dbraw/zinc/47/04/10/639470410.db2.gz ARPZSLPRGRVFJS-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934515861 639624254 /nfs/dbraw/zinc/62/42/54/639624254.db2.gz ZFPRUTNISBKFEK-MRXNPFEDSA-N 1 2 293.370 3.257 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934515861 639624257 /nfs/dbraw/zinc/62/42/57/639624257.db2.gz ZFPRUTNISBKFEK-MRXNPFEDSA-N 1 2 293.370 3.257 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096995542 640851138 /nfs/dbraw/zinc/85/11/38/640851138.db2.gz WPOYRTJCPFYTLF-UHFFFAOYSA-N 1 2 254.717 3.256 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000096995542 640851140 /nfs/dbraw/zinc/85/11/40/640851140.db2.gz WPOYRTJCPFYTLF-UHFFFAOYSA-N 1 2 254.717 3.256 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014920463 640976108 /nfs/dbraw/zinc/97/61/08/640976108.db2.gz RCULRDZKJSXFST-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014920463 640976112 /nfs/dbraw/zinc/97/61/12/640976112.db2.gz RCULRDZKJSXFST-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)c2c([nH+]1)CCC2 ZINC001156873157 805742415 /nfs/dbraw/zinc/74/24/15/805742415.db2.gz CYFDAJJCSPMLBD-NSHDSACASA-N 1 2 278.359 3.319 20 30 CGEDLO C=CCN(C(=O)c1ccc2[nH+]c(N)[nH]c2c1)C1CCCCC1 ZINC001156972397 805760740 /nfs/dbraw/zinc/76/07/40/805760740.db2.gz ZYOXSEPPLXPKHT-UHFFFAOYSA-N 1 2 298.390 3.106 20 30 CGEDLO C=C(C)C(=O)OCCNc1[nH+]ccc2cc(Cl)ccc21 ZINC001157304694 805795744 /nfs/dbraw/zinc/79/57/44/805795744.db2.gz QTEVGEDWFOPXTO-UHFFFAOYSA-N 1 2 290.750 3.419 20 30 CGEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558332 806064036 /nfs/dbraw/zinc/06/40/36/806064036.db2.gz TWQJDOJTUVATHI-JKSUJKDBSA-N 1 2 295.373 3.123 20 30 CGEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558332 806064044 /nfs/dbraw/zinc/06/40/44/806064044.db2.gz TWQJDOJTUVATHI-JKSUJKDBSA-N 1 2 295.373 3.123 20 30 CGEDLO C=CCC[C@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001252587582 806076336 /nfs/dbraw/zinc/07/63/36/806076336.db2.gz TZMBCJQHTXMBCA-INIZCTEOSA-N 1 2 260.381 3.026 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2cccnc2C1 ZINC001253227453 806184182 /nfs/dbraw/zinc/18/41/82/806184182.db2.gz JEDVELCOGFDDPN-INIZCTEOSA-N 1 2 274.408 3.285 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2cccnc2C1 ZINC001253227453 806184189 /nfs/dbraw/zinc/18/41/89/806184189.db2.gz JEDVELCOGFDDPN-INIZCTEOSA-N 1 2 274.408 3.285 20 30 CGEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1NCC#CC(C)(C)C ZINC001160393695 806267416 /nfs/dbraw/zinc/26/74/16/806267416.db2.gz QDSRFPHXINBQIE-BQYQJAHWSA-N 1 2 286.375 3.038 20 30 CGEDLO C=C[C@@H](O)CNc1ccc(Oc2cc[nH+]c(C)c2)cc1 ZINC001253593482 806268141 /nfs/dbraw/zinc/26/81/41/806268141.db2.gz MUJJJKUOGMHGEI-CQSZACIVSA-N 1 2 270.332 3.141 20 30 CGEDLO CC[C@@H](C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348868 806383705 /nfs/dbraw/zinc/38/37/05/806383705.db2.gz BXHPGGHLEXNKQW-GTPINHCMSA-N 1 2 285.366 3.421 20 30 CGEDLO Cc1cc(C#N)c(NCc2c[nH+]cn2CC2CCC2)nc1C ZINC001161531390 806388432 /nfs/dbraw/zinc/38/84/32/806388432.db2.gz NFMSOVICNPUOQU-UHFFFAOYSA-N 1 2 295.390 3.179 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1COc2ccc(Br)cc21 ZINC001255155968 806556992 /nfs/dbraw/zinc/55/69/92/806556992.db2.gz VUXXHNBVLUHDHH-PWSUYJOCSA-N 1 2 295.180 3.164 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC001255159775 806558520 /nfs/dbraw/zinc/55/85/20/806558520.db2.gz BOXNAJAPGGZBMM-PWSUYJOCSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@H](CC#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001255174627 806568660 /nfs/dbraw/zinc/56/86/60/806568660.db2.gz ZNXOYLYANRKGIJ-MRXNPFEDSA-N 1 2 291.826 3.150 20 30 CGEDLO Cn1cc(CNc2[nH+]cccc2CC#N)c2ccccc21 ZINC001162827692 806672182 /nfs/dbraw/zinc/67/21/82/806672182.db2.gz PWHABCNUHHIEAU-UHFFFAOYSA-N 1 2 276.343 3.251 20 30 CGEDLO Cc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001255787422 806750710 /nfs/dbraw/zinc/75/07/10/806750710.db2.gz KGZGFESZXVWBBI-XJKSGUPXSA-N 1 2 287.428 3.200 20 30 CGEDLO Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001255787422 806750714 /nfs/dbraw/zinc/75/07/14/806750714.db2.gz KGZGFESZXVWBBI-XJKSGUPXSA-N 1 2 287.428 3.200 20 30 CGEDLO C=CC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715718452 800144391 /nfs/dbraw/zinc/14/43/91/800144391.db2.gz NJORXDYLXOMIFQ-MRVPVSSYSA-N 1 2 288.160 3.348 20 30 CGEDLO COc1ccccc1[C@H]1CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001163807705 806831779 /nfs/dbraw/zinc/83/17/79/806831779.db2.gz WWBJWHNGPXRPLU-HNNXBMFYSA-N 1 2 293.370 3.150 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001030743388 800895532 /nfs/dbraw/zinc/89/55/32/800895532.db2.gz JIFWDVRLSZUMSL-UHFFFAOYSA-N 1 2 298.386 3.040 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001031258043 800906447 /nfs/dbraw/zinc/90/64/47/800906447.db2.gz IZAYKAYGILOJAD-UHFFFAOYSA-N 1 2 298.430 3.334 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001031342672 800908183 /nfs/dbraw/zinc/90/81/83/800908183.db2.gz NXZVUZBRTNJHPI-UHFFFAOYSA-N 1 2 292.467 3.215 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001032215292 800921875 /nfs/dbraw/zinc/92/18/75/800921875.db2.gz DEVWQBLAWZUTNZ-AWEZNQCLSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964002 800946063 /nfs/dbraw/zinc/94/60/63/800946063.db2.gz OFMMKHUQJFGJTK-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964002 800946059 /nfs/dbraw/zinc/94/60/59/800946059.db2.gz OFMMKHUQJFGJTK-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835340 801808847 /nfs/dbraw/zinc/80/88/47/801808847.db2.gz QMIXGQBPRNFBSY-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835340 801808852 /nfs/dbraw/zinc/80/88/52/801808852.db2.gz QMIXGQBPRNFBSY-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001110398298 802140537 /nfs/dbraw/zinc/14/05/37/802140537.db2.gz CFUYTKGHWSSYMQ-ANXBZSGSSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001110398298 802140539 /nfs/dbraw/zinc/14/05/39/802140539.db2.gz CFUYTKGHWSSYMQ-ANXBZSGSSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110989319 802153271 /nfs/dbraw/zinc/15/32/71/802153271.db2.gz KUTDRKBRQHVZMF-NYTXWWLZSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110989319 802153275 /nfs/dbraw/zinc/15/32/75/802153275.db2.gz KUTDRKBRQHVZMF-NYTXWWLZSA-N 1 2 296.842 3.063 20 30 CGEDLO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2(C#N)CC2)s1 ZINC001119448626 802666494 /nfs/dbraw/zinc/66/64/94/802666494.db2.gz KTFDGDWNTJFMBS-UHFFFAOYSA-N 1 2 292.404 3.097 20 30 CGEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001120019763 802724988 /nfs/dbraw/zinc/72/49/88/802724988.db2.gz LFPWQMAEFCHVRZ-ZDUSSCGKSA-N 1 2 286.766 3.250 20 30 CGEDLO Cc1ccc([C@@H](C#N)c2ccc(C3=C[NH2+]CCC3)nn2)cc1 ZINC001243948158 803094331 /nfs/dbraw/zinc/09/43/31/803094331.db2.gz VWUWSNWLGDDGAS-MRXNPFEDSA-N 1 2 290.370 3.165 20 30 CGEDLO N#Cc1cc(C#N)cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001243976355 803115348 /nfs/dbraw/zinc/11/53/48/803115348.db2.gz OQORGACXBRVNIZ-UHFFFAOYSA-N 1 2 270.295 3.487 20 30 CGEDLO C=CC1(CC(=O)Nc2cc[nH+]c(C)c2)CCCCC1 ZINC001127730378 803156928 /nfs/dbraw/zinc/15/69/28/803156928.db2.gz NLMAXBGMOFIOLA-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO CCCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001131298554 803319620 /nfs/dbraw/zinc/31/96/20/803319620.db2.gz LOTGQRCYBUYIAT-UHFFFAOYSA-N 1 2 273.380 3.343 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131815981 803349015 /nfs/dbraw/zinc/34/90/15/803349015.db2.gz ANVQRRFIIPXWIP-OLZOCXBDSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131815981 803349020 /nfs/dbraw/zinc/34/90/20/803349020.db2.gz ANVQRRFIIPXWIP-OLZOCXBDSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245039 803386466 /nfs/dbraw/zinc/38/64/66/803386466.db2.gz MAQXIFMHHZKBPY-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245039 803386474 /nfs/dbraw/zinc/38/64/74/803386474.db2.gz MAQXIFMHHZKBPY-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO N#CCOc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001137120478 803684588 /nfs/dbraw/zinc/68/45/88/803684588.db2.gz PHHGLZFYNBSBGM-UHFFFAOYSA-N 1 2 282.318 3.244 20 30 CGEDLO N#CCOc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001137120478 803684593 /nfs/dbraw/zinc/68/45/93/803684593.db2.gz PHHGLZFYNBSBGM-UHFFFAOYSA-N 1 2 282.318 3.244 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Cl)nc1)C1CCCC1 ZINC001137167144 803692578 /nfs/dbraw/zinc/69/25/78/803692578.db2.gz XYSIWYHSUSTXQL-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Cl)nc1)C1CCCC1 ZINC001137167144 803692580 /nfs/dbraw/zinc/69/25/80/803692580.db2.gz XYSIWYHSUSTXQL-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1cncnc1)C1CCCCCCC1 ZINC001137667587 803755028 /nfs/dbraw/zinc/75/50/28/803755028.db2.gz QXTFKVFNNJQRHA-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#CCC[N@@H+](Cc1cncnc1)C1CCCCCCC1 ZINC001137667587 803755032 /nfs/dbraw/zinc/75/50/32/803755032.db2.gz QXTFKVFNNJQRHA-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO Cc1cc(-c2ccc3c(C#N)nccc3c2)c[nH+]c1N ZINC001245540513 803798755 /nfs/dbraw/zinc/79/87/55/803798755.db2.gz VFPTXYFHNLHPBE-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139081264 804125206 /nfs/dbraw/zinc/12/52/06/804125206.db2.gz DWLQFXQHLJLLDT-HNNXBMFYSA-N 1 2 294.358 3.004 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139081264 804125211 /nfs/dbraw/zinc/12/52/11/804125211.db2.gz DWLQFXQHLJLLDT-HNNXBMFYSA-N 1 2 294.358 3.004 20 30 CGEDLO CCO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139690853 804256672 /nfs/dbraw/zinc/25/66/72/804256672.db2.gz LWWHHSLWRDGSBP-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139690853 804256677 /nfs/dbraw/zinc/25/66/77/804256677.db2.gz LWWHHSLWRDGSBP-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(O)cc1F)C1CCCC1 ZINC001140127411 804383871 /nfs/dbraw/zinc/38/38/71/804383871.db2.gz SKLAZYTVTMTOBQ-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(O)cc1F)C1CCCC1 ZINC001140127411 804383880 /nfs/dbraw/zinc/38/38/80/804383880.db2.gz SKLAZYTVTMTOBQ-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)ccc1N ZINC001140717405 804496128 /nfs/dbraw/zinc/49/61/28/804496128.db2.gz WPXNOSCAUJBLHC-UHFFFAOYSA-N 1 2 251.761 3.048 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)ccc1N ZINC001140717405 804496123 /nfs/dbraw/zinc/49/61/23/804496123.db2.gz WPXNOSCAUJBLHC-UHFFFAOYSA-N 1 2 251.761 3.048 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CCC1(F)F ZINC001140751243 804504153 /nfs/dbraw/zinc/50/41/53/804504153.db2.gz OPYVDCRSCRNRTQ-SECBINFHSA-N 1 2 286.272 3.314 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CCC1(F)F ZINC001140751243 804504157 /nfs/dbraw/zinc/50/41/57/804504157.db2.gz OPYVDCRSCRNRTQ-SECBINFHSA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1c(F)cc(C[N@@H+]2CCc3ccsc3C2)cc1F ZINC001140753399 804506721 /nfs/dbraw/zinc/50/67/21/804506721.db2.gz GRZWWTDCIXXPMK-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO N#Cc1c(F)cc(C[N@H+]2CCc3ccsc3C2)cc1F ZINC001140753399 804506724 /nfs/dbraw/zinc/50/67/24/804506724.db2.gz GRZWWTDCIXXPMK-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001141438622 804641451 /nfs/dbraw/zinc/64/14/51/804641451.db2.gz ZDMJSAPFMQXTBY-CYBMUJFWSA-N 1 2 283.297 3.144 20 30 CGEDLO Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001141438622 804641455 /nfs/dbraw/zinc/64/14/55/804641455.db2.gz ZDMJSAPFMQXTBY-CYBMUJFWSA-N 1 2 283.297 3.144 20 30 CGEDLO CCCCCCCCNC(=S)Nc1cc[nH+]cc1C ZINC001247122638 804665796 /nfs/dbraw/zinc/66/57/96/804665796.db2.gz IDSRTPQWBPQIOK-UHFFFAOYSA-N 1 2 279.453 3.459 20 30 CGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001141897148 804677787 /nfs/dbraw/zinc/67/77/87/804677787.db2.gz ICIUXEQEWRJXMN-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC2(CC2)C1 ZINC001141897148 804677790 /nfs/dbraw/zinc/67/77/90/804677790.db2.gz ICIUXEQEWRJXMN-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO N#CCCN(Cc1ccccc1)Cc1ccc2[nH+]ccn2c1 ZINC001143017940 804794887 /nfs/dbraw/zinc/79/48/87/804794887.db2.gz BXLRMIHTHYBWRW-UHFFFAOYSA-N 1 2 290.370 3.250 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143371363 804839268 /nfs/dbraw/zinc/83/92/68/804839268.db2.gz QEBZBDHTWBIJDF-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143371363 804839275 /nfs/dbraw/zinc/83/92/75/804839275.db2.gz QEBZBDHTWBIJDF-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)cc(C(F)(F)F)c1 ZINC001143449414 804852980 /nfs/dbraw/zinc/85/29/80/804852980.db2.gz XBATYKXUGPGMRE-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)cc(C(F)(F)F)c1 ZINC001143449414 804852987 /nfs/dbraw/zinc/85/29/87/804852987.db2.gz XBATYKXUGPGMRE-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627295 804878567 /nfs/dbraw/zinc/87/85/67/804878567.db2.gz JEMKMVHOWXQAMS-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627295 804878572 /nfs/dbraw/zinc/87/85/72/804878572.db2.gz JEMKMVHOWXQAMS-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143937269 804911619 /nfs/dbraw/zinc/91/16/19/804911619.db2.gz HGNNUYPUJTVLSE-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143937269 804911623 /nfs/dbraw/zinc/91/16/23/804911623.db2.gz HGNNUYPUJTVLSE-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958638 804915116 /nfs/dbraw/zinc/91/51/16/804915116.db2.gz IUDOXIATPBLVOM-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958638 804915119 /nfs/dbraw/zinc/91/51/19/804915119.db2.gz IUDOXIATPBLVOM-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(Cl)c(F)cc2F)CC1 ZINC001144134782 804942545 /nfs/dbraw/zinc/94/25/45/804942545.db2.gz PHPJBKYJTSXILL-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cn1)Cc1cccc(F)c1F ZINC001144166524 804946844 /nfs/dbraw/zinc/94/68/44/804946844.db2.gz JHMFDKMGUGWFST-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cn1)Cc1cccc(F)c1F ZINC001144166524 804946847 /nfs/dbraw/zinc/94/68/47/804946847.db2.gz JHMFDKMGUGWFST-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)nc2c1 ZINC001248842588 805018383 /nfs/dbraw/zinc/01/83/83/805018383.db2.gz AYKSIHWXYNLHGX-ZSOGYDGISA-N 1 2 280.375 3.138 20 30 CGEDLO Cc1ccc2[nH]c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)nc2c1 ZINC001248842588 805018393 /nfs/dbraw/zinc/01/83/93/805018393.db2.gz AYKSIHWXYNLHGX-ZSOGYDGISA-N 1 2 280.375 3.138 20 30 CGEDLO Cc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)[nH]c2c1 ZINC001248842588 805018405 /nfs/dbraw/zinc/01/84/05/805018405.db2.gz AYKSIHWXYNLHGX-ZSOGYDGISA-N 1 2 280.375 3.138 20 30 CGEDLO Cc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)[nH]c2c1 ZINC001248842588 805018416 /nfs/dbraw/zinc/01/84/16/805018416.db2.gz AYKSIHWXYNLHGX-ZSOGYDGISA-N 1 2 280.375 3.138 20 30 CGEDLO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cncs1 ZINC001249430260 805148528 /nfs/dbraw/zinc/14/85/28/805148528.db2.gz JWWUPMPABLODKP-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cncs1 ZINC001249430260 805148532 /nfs/dbraw/zinc/14/85/32/805148532.db2.gz JWWUPMPABLODKP-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[C@H](C#N)c1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001154522276 805461999 /nfs/dbraw/zinc/46/19/99/805461999.db2.gz UVMNHIACGMOPHE-GFCCVEGCSA-N 1 2 290.326 3.214 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001155172819 805549375 /nfs/dbraw/zinc/54/93/75/805549375.db2.gz ACIODVFWFXUKBW-HNNXBMFYSA-N 1 2 287.407 3.458 20 30 CGEDLO Cn1c(CNc2cc(CC#N)cc[nH+]2)ccc1C(F)(F)F ZINC001155247638 805562976 /nfs/dbraw/zinc/56/29/76/805562976.db2.gz SDGYIEVBSFIQGV-UHFFFAOYSA-N 1 2 294.280 3.117 20 30 CGEDLO N#CCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001212605307 815083549 /nfs/dbraw/zinc/08/35/49/815083549.db2.gz WFVRPWUKARBBEE-UHFFFAOYSA-N 1 2 294.358 3.328 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCCCCC)C(=O)OCC ZINC001257361414 807124003 /nfs/dbraw/zinc/12/40/03/807124003.db2.gz KWXACJXIFFVJQD-FMKPAKJESA-N 1 2 267.413 3.443 20 30 CGEDLO CC(C)Oc1cc(N[C@H]2CC[C@H](C#N)CC2)cc[nH+]1 ZINC001167844482 807261501 /nfs/dbraw/zinc/26/15/01/807261501.db2.gz PNPPDOLEWMTNGW-JOCQHMNTSA-N 1 2 259.353 3.363 20 30 CGEDLO CCCCCCC[C@@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001258042692 807272376 /nfs/dbraw/zinc/27/23/76/807272376.db2.gz VBOIBMOBSLEMOK-CYBMUJFWSA-N 1 2 255.402 3.421 20 30 CGEDLO Cc1nsc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212692432 815104339 /nfs/dbraw/zinc/10/43/39/815104339.db2.gz SQNLCQVMUACFML-UHFFFAOYSA-N 1 2 295.371 3.312 20 30 CGEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001212697868 815106449 /nfs/dbraw/zinc/10/64/49/815106449.db2.gz YCSCORQTJIAGSU-UHFFFAOYSA-N 1 2 299.337 3.418 20 30 CGEDLO CCCCCCCCC[C@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001258227582 807376366 /nfs/dbraw/zinc/37/63/66/807376366.db2.gz DYDJVTXLEFRMNV-GJZGRUSLSA-N 1 2 287.444 3.029 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001168384296 807398792 /nfs/dbraw/zinc/39/87/92/807398792.db2.gz YXGKKBRAIOKGAA-HNNXBMFYSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001168384296 807398797 /nfs/dbraw/zinc/39/87/97/807398797.db2.gz YXGKKBRAIOKGAA-HNNXBMFYSA-N 1 2 296.773 3.484 20 30 CGEDLO COC1CCC(Nc2cc(C3(C#N)CC3)cc[nH+]2)CC1 ZINC001168605810 807455475 /nfs/dbraw/zinc/45/54/75/807455475.db2.gz RDAZZSHSFMRBDB-UHFFFAOYSA-N 1 2 271.364 3.006 20 30 CGEDLO C=CCC[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001258736236 807582044 /nfs/dbraw/zinc/58/20/44/807582044.db2.gz OURMEZZETHGHAS-KGLIPLIRSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+]1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001258736236 807582046 /nfs/dbraw/zinc/58/20/46/807582046.db2.gz OURMEZZETHGHAS-KGLIPLIRSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@@H](C)[N@H+]1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001258736236 807582049 /nfs/dbraw/zinc/58/20/49/807582049.db2.gz OURMEZZETHGHAS-KGLIPLIRSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)OC ZINC001258743892 807587146 /nfs/dbraw/zinc/58/71/46/807587146.db2.gz LQSVXJXXOARHPH-BLLLJJGKSA-N 1 2 295.810 3.368 20 30 CGEDLO CC(C)C1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001258802911 807623979 /nfs/dbraw/zinc/62/39/79/807623979.db2.gz FSIJLHHKMCACLT-ZALBZXLWSA-N 1 2 279.449 3.475 20 30 CGEDLO CC(C)C1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001258802911 807623983 /nfs/dbraw/zinc/62/39/83/807623983.db2.gz FSIJLHHKMCACLT-ZALBZXLWSA-N 1 2 279.449 3.475 20 30 CGEDLO COc1ccc(Nc2cccn3cc(C)[nH+]c23)c(C#N)c1 ZINC001212779793 815135010 /nfs/dbraw/zinc/13/50/10/815135010.db2.gz FLWZQCVGLCPURJ-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO CCC(=NNCCCn1cc[nH+]c1)c1sccc1Cl ZINC001262036389 807812773 /nfs/dbraw/zinc/81/27/73/807812773.db2.gz NXYNVWGAKBIJGG-UHFFFAOYSA-N 1 2 296.827 3.392 20 30 CGEDLO C=CCCCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001262635276 807882297 /nfs/dbraw/zinc/88/22/97/807882297.db2.gz KXDGCAGPINNPOU-HNNXBMFYSA-N 1 2 292.810 3.169 20 30 CGEDLO C[C@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)c1cccc(N)c1 ZINC001170734282 807892618 /nfs/dbraw/zinc/89/26/18/807892618.db2.gz ROQNWDZMWNKBNR-LBPRGKRZSA-N 1 2 278.359 3.392 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933644 807938073 /nfs/dbraw/zinc/93/80/73/807938073.db2.gz JDNJKODVIDZFLS-GXTWGEPZSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933644 807938079 /nfs/dbraw/zinc/93/80/79/807938079.db2.gz JDNJKODVIDZFLS-GXTWGEPZSA-N 1 2 274.795 3.433 20 30 CGEDLO CCOc1cc(NC2=CC[C@H](C#N)CC2)cc(C)[nH+]1 ZINC001212857486 815161157 /nfs/dbraw/zinc/16/11/57/815161157.db2.gz KMEXYUPPOPXICR-LBPRGKRZSA-N 1 2 257.337 3.408 20 30 CGEDLO N#C[C@H]1CC=C(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001212860041 815163199 /nfs/dbraw/zinc/16/31/99/815163199.db2.gz YGUNAPPXZWECCN-ZDUSSCGKSA-N 1 2 268.364 3.301 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050934 807972753 /nfs/dbraw/zinc/97/27/53/807972753.db2.gz UFNFYQAHOZABFR-JSGCOSHPSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050934 807972756 /nfs/dbraw/zinc/97/27/56/807972756.db2.gz UFNFYQAHOZABFR-JSGCOSHPSA-N 1 2 274.795 3.433 20 30 CGEDLO N#Cc1cccc2c1CC[C@H]2Nc1[nH+]cnc2[nH]cc(F)c21 ZINC001171059205 807976879 /nfs/dbraw/zinc/97/68/79/807976879.db2.gz HDSQANGRUKJBKD-CYBMUJFWSA-N 1 2 293.305 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001265319310 808130588 /nfs/dbraw/zinc/13/05/88/808130588.db2.gz LDQZYDNHOJUFKP-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001265319310 808130591 /nfs/dbraw/zinc/13/05/91/808130591.db2.gz LDQZYDNHOJUFKP-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171915948 808153822 /nfs/dbraw/zinc/15/38/22/808153822.db2.gz NILOCCXHYBLPDV-YMAMQOFZSA-N 1 2 294.439 3.415 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001171945300 808157836 /nfs/dbraw/zinc/15/78/36/808157836.db2.gz CDFHCOXXGXTMEB-BDVYOWHSSA-N 1 2 294.439 3.416 20 30 CGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172308858 808223006 /nfs/dbraw/zinc/22/30/06/808223006.db2.gz AFFPUNLNJYNFKN-QWHCGFSZSA-N 1 2 278.346 3.466 20 30 CGEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172308858 808223008 /nfs/dbraw/zinc/22/30/08/808223008.db2.gz AFFPUNLNJYNFKN-QWHCGFSZSA-N 1 2 278.346 3.466 20 30 CGEDLO C[C@@H](CCCC#N)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172498156 808355714 /nfs/dbraw/zinc/35/57/14/808355714.db2.gz JGIVQHFDUZXDQQ-LRDDRELGSA-N 1 2 294.345 3.420 20 30 CGEDLO C[C@@H](CCCC#N)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001172498156 808355722 /nfs/dbraw/zinc/35/57/22/808355722.db2.gz JGIVQHFDUZXDQQ-LRDDRELGSA-N 1 2 294.345 3.420 20 30 CGEDLO C[C@@H](CCCC#N)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172506539 808362526 /nfs/dbraw/zinc/36/25/26/808362526.db2.gz VQYJBBFVIXOMLG-GJZGRUSLSA-N 1 2 299.409 3.264 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721232 808419354 /nfs/dbraw/zinc/41/93/54/808419354.db2.gz DJQHSWZBCQMFQD-ABAIWWIYSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721232 808419358 /nfs/dbraw/zinc/41/93/58/808419358.db2.gz DJQHSWZBCQMFQD-ABAIWWIYSA-N 1 2 260.768 3.043 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(F)c1 ZINC001213031557 815204858 /nfs/dbraw/zinc/20/48/58/815204858.db2.gz GDYDVLNJNNYFCB-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO CCCC[C@H](CC(C)C)[NH2+]C1(C#N)CCOCC1 ZINC001173256681 808563231 /nfs/dbraw/zinc/56/32/31/808563231.db2.gz NMDLTYLPJOQHRR-CQSZACIVSA-N 1 2 252.402 3.254 20 30 CGEDLO N#Cc1ccnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213085578 815229163 /nfs/dbraw/zinc/22/91/63/815229163.db2.gz LUXAALQLEAMDKW-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCC2CCCCC2)C1 ZINC001269882084 808707796 /nfs/dbraw/zinc/70/77/96/808707796.db2.gz YHFCARSQDAZQNV-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO N#Cc1cc(N)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090671 815231214 /nfs/dbraw/zinc/23/12/14/815231214.db2.gz AKQUYIYXJAXPCQ-UHFFFAOYSA-N 1 2 275.315 3.274 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001275711783 808960237 /nfs/dbraw/zinc/96/02/37/808960237.db2.gz ABLCYVXCHKIHQV-CQSZACIVSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001275711783 808960241 /nfs/dbraw/zinc/96/02/41/808960241.db2.gz ABLCYVXCHKIHQV-CQSZACIVSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001276002573 808982929 /nfs/dbraw/zinc/98/29/29/808982929.db2.gz LWZPWBIDTJYZMB-HLIUYOAVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001276002573 808982932 /nfs/dbraw/zinc/98/29/32/808982932.db2.gz LWZPWBIDTJYZMB-HLIUYOAVSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1F ZINC001174411072 809003577 /nfs/dbraw/zinc/00/35/77/809003577.db2.gz HRJBJXRCHKAHIW-UHFFFAOYSA-N 1 2 252.252 3.269 20 30 CGEDLO C#Cc1cc(Nc2cc(F)ccc2C(F)(F)F)cc[nH+]1 ZINC001174485248 809040030 /nfs/dbraw/zinc/04/00/30/809040030.db2.gz MOWMTOQGVKNSKQ-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)/C=C(/C)CC)C(C)C ZINC001278904715 809155541 /nfs/dbraw/zinc/15/55/41/809155541.db2.gz RMSUGYLUZIESSD-RAXLEYEMSA-N 1 2 286.847 3.264 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)/C=C(/C)CC)C(C)C ZINC001278904715 809155546 /nfs/dbraw/zinc/15/55/46/809155546.db2.gz RMSUGYLUZIESSD-RAXLEYEMSA-N 1 2 286.847 3.264 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)/C=C\C(C)(C)C)CC1 ZINC001284892544 809320099 /nfs/dbraw/zinc/32/00/99/809320099.db2.gz YLGPUFSAZNGULD-YVMONPNESA-N 1 2 296.842 3.090 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)/C=C\C(C)(C)C)CC1 ZINC001284892544 809320101 /nfs/dbraw/zinc/32/01/01/809320101.db2.gz YLGPUFSAZNGULD-YVMONPNESA-N 1 2 296.842 3.090 20 30 CGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1N ZINC001213427295 815279885 /nfs/dbraw/zinc/27/98/85/815279885.db2.gz SCUHVIOUPICLMY-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO N#Cc1cc(F)cc(Nc2cccn3cc[nH+]c23)c1 ZINC001175683515 809503424 /nfs/dbraw/zinc/50/34/24/809503424.db2.gz BKTHABRJGHDBQY-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(F)cc(C#N)c1 ZINC001175683826 809503471 /nfs/dbraw/zinc/50/34/71/809503471.db2.gz LTNSULBHYGKHCC-UHFFFAOYSA-N 1 2 257.268 3.235 20 30 CGEDLO COc1cc(C#N)cc(Nc2c[nH+]c(C)cc2C)c1 ZINC001213520404 815295594 /nfs/dbraw/zinc/29/55/94/815295594.db2.gz BBTPWANKMUCBIP-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176832751 809764457 /nfs/dbraw/zinc/76/44/57/809764457.db2.gz HJAUKTRKUBGNBV-LBPRGKRZSA-N 1 2 278.739 3.236 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176832751 809764462 /nfs/dbraw/zinc/76/44/62/809764462.db2.gz HJAUKTRKUBGNBV-LBPRGKRZSA-N 1 2 278.739 3.236 20 30 CGEDLO Cc1ccc(Br)c(F)c1C[NH2+][C@@H](C)CC#N ZINC001179479959 809923901 /nfs/dbraw/zinc/92/39/01/809923901.db2.gz YMQSMKBPUSLXRK-VIFPVBQESA-N 1 2 285.160 3.288 20 30 CGEDLO C=CC[N@@H+](CCc1ccc(C(C)C)cc1)CC(=O)OCC ZINC001179863526 809953314 /nfs/dbraw/zinc/95/33/14/809953314.db2.gz OBUSCUAYQIQQDJ-UHFFFAOYSA-N 1 2 289.419 3.404 20 30 CGEDLO C=CC[N@H+](CCc1ccc(C(C)C)cc1)CC(=O)OCC ZINC001179863526 809953316 /nfs/dbraw/zinc/95/33/16/809953316.db2.gz OBUSCUAYQIQQDJ-UHFFFAOYSA-N 1 2 289.419 3.404 20 30 CGEDLO COc1cccc(C#N)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968500 810226467 /nfs/dbraw/zinc/22/64/67/810226467.db2.gz NSPYIBGGKOMZIB-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO CCCCCCCOC(=O)NCC[N@@H+]1CCC[C@@H](F)C1 ZINC001194019388 811003096 /nfs/dbraw/zinc/00/30/96/811003096.db2.gz JYXIDESIPNQSRR-CQSZACIVSA-N 1 2 288.407 3.117 20 30 CGEDLO CCCCCCCOC(=O)NCC[N@H+]1CCC[C@@H](F)C1 ZINC001194019388 811003098 /nfs/dbraw/zinc/00/30/98/811003098.db2.gz JYXIDESIPNQSRR-CQSZACIVSA-N 1 2 288.407 3.117 20 30 CGEDLO N#Cc1c2ccccc2sc1Nc1ccc(N)[nH+]c1 ZINC001201279605 811806708 /nfs/dbraw/zinc/80/67/08/811806708.db2.gz XWZXQMJMTBJQKA-UHFFFAOYSA-N 1 2 266.329 3.494 20 30 CGEDLO Cc1cn2cccc(Nc3ccc(C#N)cc3F)c2[nH+]1 ZINC001201560848 811902845 /nfs/dbraw/zinc/90/28/45/811902845.db2.gz OMLUHHNKSMWOEJ-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(C#N)ccc1OC ZINC001201580040 811911391 /nfs/dbraw/zinc/91/13/91/811911391.db2.gz JHNDOQDJLRXFNR-UHFFFAOYSA-N 1 2 269.304 3.104 20 30 CGEDLO COc1cc(Nc2cc(C#N)ccc2OC)cc(C)[nH+]1 ZINC001201582142 811912999 /nfs/dbraw/zinc/91/29/99/811912999.db2.gz OFFODKQKQQDUAS-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO CCc1ccc(C)[nH+]c1Nc1cnc(C#N)c(F)c1 ZINC001203049600 812229675 /nfs/dbraw/zinc/22/96/75/812229675.db2.gz XGKPNLYMGKPQLS-UHFFFAOYSA-N 1 2 256.284 3.102 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203546962 812388190 /nfs/dbraw/zinc/38/81/90/812388190.db2.gz DIAIHBJJDXGAGE-UHFFFAOYSA-N 1 2 266.344 3.308 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC001203546962 812388198 /nfs/dbraw/zinc/38/81/98/812388198.db2.gz DIAIHBJJDXGAGE-UHFFFAOYSA-N 1 2 266.344 3.308 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204273100 812591645 /nfs/dbraw/zinc/59/16/45/812591645.db2.gz YJKJSWHZJSIKIY-UHFFFAOYSA-N 1 2 282.343 3.014 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1O ZINC001204273100 812591652 /nfs/dbraw/zinc/59/16/52/812591652.db2.gz YJKJSWHZJSIKIY-UHFFFAOYSA-N 1 2 282.343 3.014 20 30 CGEDLO N#Cc1cc(F)c(Nc2ccn3cc[nH+]c3c2)cc1F ZINC001204977876 812805698 /nfs/dbraw/zinc/80/56/98/812805698.db2.gz MJDRDGCWBDQOTL-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1ccccc1F)C(=O)OCC ZINC001205849718 813107454 /nfs/dbraw/zinc/10/74/54/813107454.db2.gz TWACXBAYQQNVTA-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnc(F)c1C)c1ccc(F)cc1 ZINC001205980132 813150702 /nfs/dbraw/zinc/15/07/02/813150702.db2.gz DROHJNQFWMQZDK-OAHLLOKOSA-N 1 2 272.298 3.132 20 30 CGEDLO COc1cc(Nc2ccc(C#N)cc2OC)cc(C)[nH+]1 ZINC001209326102 814000340 /nfs/dbraw/zinc/00/03/40/814000340.db2.gz QHTXDDWUEYRDIF-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO C=CCN1CC[NH+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209723351 814120809 /nfs/dbraw/zinc/12/08/09/814120809.db2.gz NVYCRQDFZQOFPM-UHFFFAOYSA-N 1 2 289.810 3.125 20 30 CGEDLO CC(C)=CCCC1=CC[C@@H](CN2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001210123115 814299720 /nfs/dbraw/zinc/29/97/20/814299720.db2.gz YVVWCGYIVWVPBC-MSOLQXFVSA-N 1 2 287.451 3.257 20 30 CGEDLO N#Cc1ncccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001210141595 814307461 /nfs/dbraw/zinc/30/74/61/814307461.db2.gz WPHBBYZTQXOEOV-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2cccc3[nH+]ccn32)C1 ZINC001210149833 814313039 /nfs/dbraw/zinc/31/30/39/814313039.db2.gz HAAHACHYZCACBB-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2cnc(C#N)c(C)c2)cc1 ZINC001210209135 814341194 /nfs/dbraw/zinc/34/11/94/814341194.db2.gz QVIZYBSNAWNEOI-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2cnc(C#N)c(C)c2)cc1 ZINC001210209135 814341200 /nfs/dbraw/zinc/34/12/00/814341200.db2.gz QVIZYBSNAWNEOI-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO CC[N@H+](C)c1ccc(NC2=CC(=O)C[C@H](C)C2)cc1 ZINC001210776423 814622144 /nfs/dbraw/zinc/62/21/44/814622144.db2.gz PDWXCJOWAIRQBK-GFCCVEGCSA-N 1 2 258.365 3.438 20 30 CGEDLO CC[N@@H+](C)c1ccc(NC2=CC(=O)C[C@H](C)C2)cc1 ZINC001210776423 814622150 /nfs/dbraw/zinc/62/21/50/814622150.db2.gz PDWXCJOWAIRQBK-GFCCVEGCSA-N 1 2 258.365 3.438 20 30 CGEDLO COc1cc(Nc2cccc(F)c2C#N)cc(C)[nH+]1 ZINC001210780033 814624818 /nfs/dbraw/zinc/62/48/18/814624818.db2.gz CPZSKCQZVRNGEV-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO CCc1ccc(C)[nH+]c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211327400 814878969 /nfs/dbraw/zinc/87/89/69/814878969.db2.gz QEDFLUGIKURNBS-UHFFFAOYSA-N 1 2 282.303 3.476 20 30 CGEDLO Cc1cc(CO[C@@H](C)C#C[Si](C)(C)C)cc(C)[nH+]1 ZINC001223423351 816627633 /nfs/dbraw/zinc/62/76/33/816627633.db2.gz BYLCTCHVFYXCGV-AWEZNQCLSA-N 1 2 261.441 3.484 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(C(F)(F)F)cc1CC#N ZINC001243069974 823234644 /nfs/dbraw/zinc/23/46/44/823234644.db2.gz CPEHRLYNWTXPRR-UHFFFAOYSA-N 1 2 265.238 3.172 20 30 CGEDLO N#Cc1cc(Cl)ccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001227206443 817591870 /nfs/dbraw/zinc/59/18/70/817591870.db2.gz KSPWPTVRUWVUOY-UHFFFAOYSA-N 1 2 298.773 3.475 20 30 CGEDLO Cc1cc(OC2C[NH+](Cc3ccccc3)C2)c(C)cc1C#N ZINC001228144007 817822877 /nfs/dbraw/zinc/82/28/77/817822877.db2.gz NTVQRCGCHHHSDJ-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(Br)c1 ZINC001231569748 818123960 /nfs/dbraw/zinc/12/39/60/818123960.db2.gz JUWAHPPCABDFQK-UHFFFAOYSA-N 1 2 296.595 3.171 20 30 CGEDLO N#C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590103 818129630 /nfs/dbraw/zinc/12/96/30/818129630.db2.gz JPSIANYGRUJWCB-AWEZNQCLSA-N 1 2 266.344 3.423 20 30 CGEDLO N#C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590103 818129633 /nfs/dbraw/zinc/12/96/33/818129633.db2.gz JPSIANYGRUJWCB-AWEZNQCLSA-N 1 2 266.344 3.423 20 30 CGEDLO COc1ccnc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232154076 818265658 /nfs/dbraw/zinc/26/56/58/818265658.db2.gz GLJMVQBEBLJYKI-CNDDSTCGSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1ccnc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232154076 818265662 /nfs/dbraw/zinc/26/56/62/818265662.db2.gz GLJMVQBEBLJYKI-CNDDSTCGSA-N 1 2 291.782 3.010 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221750 818283905 /nfs/dbraw/zinc/28/39/05/818283905.db2.gz DLTQCQMZDCAIQN-CYBMUJFWSA-N 1 2 288.354 3.128 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221750 818283910 /nfs/dbraw/zinc/28/39/10/818283910.db2.gz DLTQCQMZDCAIQN-CYBMUJFWSA-N 1 2 288.354 3.128 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232445114 818353536 /nfs/dbraw/zinc/35/35/36/818353536.db2.gz MIPGVSMXUHOXLA-UHFFFAOYSA-N 1 2 272.270 3.424 20 30 CGEDLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232678676 818417391 /nfs/dbraw/zinc/41/73/91/818417391.db2.gz MRETYLOWAUSFOS-ZDUSSCGKSA-N 1 2 296.370 3.465 20 30 CGEDLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232678676 818417394 /nfs/dbraw/zinc/41/73/94/818417394.db2.gz MRETYLOWAUSFOS-ZDUSSCGKSA-N 1 2 296.370 3.465 20 30 CGEDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232681870 818418722 /nfs/dbraw/zinc/41/87/22/818418722.db2.gz XBPVHYQEMWWZLW-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232681870 818418723 /nfs/dbraw/zinc/41/87/23/818418723.db2.gz XBPVHYQEMWWZLW-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001232891583 818466627 /nfs/dbraw/zinc/46/66/27/818466627.db2.gz KWQMPIPSRQXJCG-LLVKDONJSA-N 1 2 268.282 3.174 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001232891583 818466630 /nfs/dbraw/zinc/46/66/30/818466630.db2.gz KWQMPIPSRQXJCG-LLVKDONJSA-N 1 2 268.282 3.174 20 30 CGEDLO N#CCC1CC[NH+](Cc2cn3cccc(Cl)c3n2)CC1 ZINC001233422566 818616875 /nfs/dbraw/zinc/61/68/75/818616875.db2.gz MKAREPHMMFESRK-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO C=C1O[C@H](CC)C(=O)C1Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588009 818887860 /nfs/dbraw/zinc/88/78/60/818887860.db2.gz HWKXVPINJRUEFG-CYBMUJFWSA-N 1 2 289.331 3.037 20 30 CGEDLO Cc1cc(Cl)cc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC001236642824 819558243 /nfs/dbraw/zinc/55/82/43/819558243.db2.gz KFCGMHHZIJLMOO-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccccc1Oc1cnccn1 ZINC001238012867 819911536 /nfs/dbraw/zinc/91/15/36/819911536.db2.gz GRQQBMVKPFIEHI-UHFFFAOYSA-N 1 2 296.374 3.395 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccccc1Oc1cnccn1 ZINC001238012867 819911542 /nfs/dbraw/zinc/91/15/42/819911542.db2.gz GRQQBMVKPFIEHI-UHFFFAOYSA-N 1 2 296.374 3.395 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238474265 820016874 /nfs/dbraw/zinc/01/68/74/820016874.db2.gz VVJHUEALMRGIQO-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238474265 820016883 /nfs/dbraw/zinc/01/68/83/820016883.db2.gz VVJHUEALMRGIQO-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001238624972 820067360 /nfs/dbraw/zinc/06/73/60/820067360.db2.gz NQPDYTOHRFTYQB-OAHLLOKOSA-N 1 2 277.371 3.403 20 30 CGEDLO Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001238624972 820067370 /nfs/dbraw/zinc/06/73/70/820067370.db2.gz NQPDYTOHRFTYQB-OAHLLOKOSA-N 1 2 277.371 3.403 20 30 CGEDLO N#CCc1cncc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243656394 823476830 /nfs/dbraw/zinc/47/68/30/823476830.db2.gz CZBMFEXDUNNKIF-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1cc(F)cc(C#N)c1 ZINC001241658570 822035198 /nfs/dbraw/zinc/03/51/98/822035198.db2.gz QNRPKUYOTXAIMI-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO COC(=O)c1ccc(-c2cc(C)[nH+]c(C)c2)cc1CC#N ZINC001241993162 822261943 /nfs/dbraw/zinc/26/19/43/822261943.db2.gz GCSRFOBUKZZYQZ-UHFFFAOYSA-N 1 2 280.327 3.218 20 30 CGEDLO Cc1cn2c(cccc2C2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001242315472 822948962 /nfs/dbraw/zinc/94/89/62/822948962.db2.gz IJXMBFOPQXFNQA-UHFFFAOYSA-N 1 2 254.333 3.415 20 30 CGEDLO C=C(CC(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001346217360 936842640 /nfs/dbraw/zinc/84/26/40/936842640.db2.gz BWHHGKODYJCNIQ-AWEZNQCLSA-N 1 2 277.412 3.016 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001347257899 936876204 /nfs/dbraw/zinc/87/62/04/936876204.db2.gz MKQOPEIZMZMJMR-CLLJXQQHSA-N 1 2 292.329 3.329 20 30 CGEDLO COCCC1(C/[NH+]=C\c2cccc(OC)c2O)CCCC1 ZINC000255435750 926776315 /nfs/dbraw/zinc/77/63/15/926776315.db2.gz FCLKWDLKDYEPEK-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO N#CCc1ccc[nH+]c1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001169752172 928098973 /nfs/dbraw/zinc/09/89/73/928098973.db2.gz QCZUGKVOXDGFPO-IAGOWNOFSA-N 1 2 293.370 3.480 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132214853 928143082 /nfs/dbraw/zinc/14/30/82/928143082.db2.gz OHTDOQDKVQQSTM-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132214853 928143091 /nfs/dbraw/zinc/14/30/91/928143091.db2.gz OHTDOQDKVQQSTM-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCCCCC[NH2+][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC001459967471 928728402 /nfs/dbraw/zinc/72/84/02/928728402.db2.gz WYGPXWPGRDWMCI-YOEHRIQHSA-N 1 2 297.439 3.069 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C)n(C)n1)[C@@H]1CCCc2ccccc21 ZINC001460838732 937548476 /nfs/dbraw/zinc/54/84/76/937548476.db2.gz TYWHTPGRPKOCGW-LJQANCHMSA-N 1 2 293.414 3.241 20 30 CGEDLO C#CC[N@H+](Cc1cc(C)n(C)n1)[C@@H]1CCCc2ccccc21 ZINC001460838732 937548479 /nfs/dbraw/zinc/54/84/79/937548479.db2.gz TYWHTPGRPKOCGW-LJQANCHMSA-N 1 2 293.414 3.241 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2ccc(C#N)nc2)cc1 ZINC001209678383 932009255 /nfs/dbraw/zinc/00/92/55/932009255.db2.gz SWBGLAYDWRUDIK-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2ccc(C#N)nc2)cc1 ZINC001209678383 932009257 /nfs/dbraw/zinc/00/92/57/932009257.db2.gz SWBGLAYDWRUDIK-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO C=CCC(CC=C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230919963 932642399 /nfs/dbraw/zinc/64/23/99/932642399.db2.gz HUPPUEQYBQHIRI-UHFFFAOYSA-N 1 2 257.333 3.267 20 30 CGEDLO Cc1c(C[NH2+]Cc2cccc(F)c2C#N)cccc1[N+](=O)[O-] ZINC001462084632 937617097 /nfs/dbraw/zinc/61/70/97/937617097.db2.gz CRKHOOWZMSTHKC-UHFFFAOYSA-N 1 2 299.305 3.204 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc2cnccc2o1)c1ccc(F)cc1 ZINC001462275226 937628879 /nfs/dbraw/zinc/62/88/79/937628879.db2.gz GZLPTLDKZSAVGO-MRXNPFEDSA-N 1 2 280.302 3.431 20 30 CGEDLO C=C(CC)Cn1c[nH+]c(Cc2ccccc2OC)c1 ZINC001307407717 932947906 /nfs/dbraw/zinc/94/79/06/932947906.db2.gz KPDUPLFECVVSCM-UHFFFAOYSA-N 1 2 256.349 3.449 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308918187 933203969 /nfs/dbraw/zinc/20/39/69/933203969.db2.gz MZRCOJXPTXRKDT-NVXWUHKLSA-N 1 2 289.419 3.414 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(=O)OCC ZINC001321150516 934156039 /nfs/dbraw/zinc/15/60/39/934156039.db2.gz VBKKCGFPWIEFRB-ULQDDVLXSA-N 1 2 287.403 3.420 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC1(C)CCCC1 ZINC001322144976 934251270 /nfs/dbraw/zinc/25/12/70/934251270.db2.gz AIASZCGEXIJXOK-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC1(C)CCCC1 ZINC001322144976 934251273 /nfs/dbraw/zinc/25/12/73/934251273.db2.gz AIASZCGEXIJXOK-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001322424381 934298855 /nfs/dbraw/zinc/29/88/55/934298855.db2.gz YOKIYDQDZKPCNV-UHFFFAOYSA-N 1 2 299.418 3.024 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001322424381 934298868 /nfs/dbraw/zinc/29/88/68/934298868.db2.gz YOKIYDQDZKPCNV-UHFFFAOYSA-N 1 2 299.418 3.024 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N)cc2Cl)nc1 ZINC001326111033 934952149 /nfs/dbraw/zinc/95/21/49/934952149.db2.gz KVHUUZNDHYZTRA-UHFFFAOYSA-N 1 2 260.728 3.072 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC001331336669 935370591 /nfs/dbraw/zinc/37/05/91/935370591.db2.gz ZDMAGZDDCPIAAL-QWHCGFSZSA-N 1 2 284.363 3.003 20 30 CGEDLO C#CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C(C)C ZINC001474734195 937877800 /nfs/dbraw/zinc/87/78/00/937877800.db2.gz KXWOKIHJGGPRDR-LBPRGKRZSA-N 1 2 262.422 3.112 20 30 CGEDLO C#CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C(C)C ZINC001474734195 937877801 /nfs/dbraw/zinc/87/78/01/937877801.db2.gz KXWOKIHJGGPRDR-LBPRGKRZSA-N 1 2 262.422 3.112 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(CC)CC ZINC001493058738 937946779 /nfs/dbraw/zinc/94/67/79/937946779.db2.gz PNUPXXZCKIFMTI-UHFFFAOYSA-N 1 2 274.836 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(CC)CC ZINC001493058738 937946780 /nfs/dbraw/zinc/94/67/80/937946780.db2.gz PNUPXXZCKIFMTI-UHFFFAOYSA-N 1 2 274.836 3.003 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001499771854 937974674 /nfs/dbraw/zinc/97/46/74/937974674.db2.gz WNKHAWDFSFJBFR-MRXNPFEDSA-N 1 2 280.456 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](CC)CCC)CC1 ZINC001508225765 937998645 /nfs/dbraw/zinc/99/86/45/937998645.db2.gz TWBZJLORQREQCG-HNNXBMFYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)CCC)CC1 ZINC001508225765 937998646 /nfs/dbraw/zinc/99/86/46/937998646.db2.gz TWBZJLORQREQCG-HNNXBMFYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001542877308 938137320 /nfs/dbraw/zinc/13/73/20/938137320.db2.gz QZHXOBUTMULJGS-UHFFFAOYSA-N 1 2 269.348 3.331 20 30 CGEDLO C=CCC[C@@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001559189623 938221964 /nfs/dbraw/zinc/22/19/64/938221964.db2.gz USOGCWQEIWUCSY-ZDUSSCGKSA-N 1 2 277.412 3.462 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001560574657 938263579 /nfs/dbraw/zinc/26/35/79/938263579.db2.gz JFKONKDAMUCXMZ-NSHDSACASA-N 1 2 285.303 3.247 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1sc(N(C)C)nc1Cl ZINC001560794935 938276483 /nfs/dbraw/zinc/27/64/83/938276483.db2.gz ITGGSMKOYJXOAI-SNVBAGLBSA-N 1 2 285.844 3.403 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1sc(N(C)C)nc1Cl ZINC001560794935 938276484 /nfs/dbraw/zinc/27/64/84/938276484.db2.gz ITGGSMKOYJXOAI-SNVBAGLBSA-N 1 2 285.844 3.403 20 30 CGEDLO C=CCCC(=O)NC1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001567786237 961429927 /nfs/dbraw/zinc/42/99/27/961429927.db2.gz HJRXILPTZIGBPF-UHFFFAOYSA-N 1 2 298.430 3.221 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001570853412 962100349 /nfs/dbraw/zinc/10/03/49/962100349.db2.gz BGWFXSIYZWIECV-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO CCc1nnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000591852963 346942660 /nfs/dbraw/zinc/94/26/60/346942660.db2.gz BPLGOUBFLURHGB-NSHDSACASA-N 1 2 286.404 3.165 20 30 CGEDLO CCc1nnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000591852963 346942664 /nfs/dbraw/zinc/94/26/64/346942664.db2.gz BPLGOUBFLURHGB-NSHDSACASA-N 1 2 286.404 3.165 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CCc1c(F)cccc1F)C1CC1 ZINC000592086588 346962683 /nfs/dbraw/zinc/96/26/83/346962683.db2.gz LQLDUWDBRFBHME-NSHDSACASA-N 1 2 264.319 3.131 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CCc1c(F)cccc1F)C1CC1 ZINC000592086588 346962686 /nfs/dbraw/zinc/96/26/86/346962686.db2.gz LQLDUWDBRFBHME-NSHDSACASA-N 1 2 264.319 3.131 20 30 CGEDLO Cc1cccnc1[C@@H]([NH2+]Cc1ccncc1C#N)C(C)C ZINC000592080530 346961526 /nfs/dbraw/zinc/96/15/26/346961526.db2.gz SWUFGYQFWIGGAN-INIZCTEOSA-N 1 2 280.375 3.144 20 30 CGEDLO Cc1cnc(C2CC[NH+](Cc3ccncc3C#N)CC2)s1 ZINC000592116245 346964209 /nfs/dbraw/zinc/96/42/09/346964209.db2.gz GMYXJBHMZWPPPE-UHFFFAOYSA-N 1 2 298.415 3.098 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CO1 ZINC000593059659 347033425 /nfs/dbraw/zinc/03/34/25/347033425.db2.gz RXJKDDMNJULWLB-KBPBESRZSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CO1 ZINC000593059659 347033428 /nfs/dbraw/zinc/03/34/28/347033428.db2.gz RXJKDDMNJULWLB-KBPBESRZSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000593393369 347070422 /nfs/dbraw/zinc/07/04/22/347070422.db2.gz CFEVOOGKHSIJIR-GFCCVEGCSA-N 1 2 296.374 3.251 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000593444087 347079291 /nfs/dbraw/zinc/07/92/91/347079291.db2.gz LYMNMLURIBBRMM-JTQLQIEISA-N 1 2 282.347 3.319 20 30 CGEDLO COCC[N@H+](Cc1cccs1)Cc1ccccc1C#N ZINC000053099871 345114361 /nfs/dbraw/zinc/11/43/61/345114361.db2.gz QMQATILJJLTFBC-UHFFFAOYSA-N 1 2 286.400 3.268 20 30 CGEDLO COCC[N@@H+](Cc1cccs1)Cc1ccccc1C#N ZINC000053099871 345114362 /nfs/dbraw/zinc/11/43/62/345114362.db2.gz QMQATILJJLTFBC-UHFFFAOYSA-N 1 2 286.400 3.268 20 30 CGEDLO Cc1sc(NC(=O)c2ccc3[nH+]ccn3c2)c(C#N)c1C ZINC000057776814 345187523 /nfs/dbraw/zinc/18/75/23/345187523.db2.gz KUBHADKXKSZJLM-UHFFFAOYSA-N 1 2 296.355 3.137 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)s1)Cc1ccnc(C#N)c1 ZINC000068766086 345361763 /nfs/dbraw/zinc/36/17/63/345361763.db2.gz CFNZUPOBDJGYEY-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccnc(C#N)c1 ZINC000068766086 345361766 /nfs/dbraw/zinc/36/17/66/345361766.db2.gz CFNZUPOBDJGYEY-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO N#CCC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)CC1CC1 ZINC000081043383 345697695 /nfs/dbraw/zinc/69/76/95/345697695.db2.gz HTMPZBMHBJEZLK-UHFFFAOYSA-N 1 2 292.766 3.194 20 30 CGEDLO N#CCC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)CC1CC1 ZINC000081043383 345697698 /nfs/dbraw/zinc/69/76/98/345697698.db2.gz HTMPZBMHBJEZLK-UHFFFAOYSA-N 1 2 292.766 3.194 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000093838388 345889816 /nfs/dbraw/zinc/88/98/16/345889816.db2.gz YZGDPIXMPDZTOX-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000093838388 345889819 /nfs/dbraw/zinc/88/98/19/345889819.db2.gz YZGDPIXMPDZTOX-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000093773091 345886258 /nfs/dbraw/zinc/88/62/58/345886258.db2.gz XFAARSBPMNKZFQ-AWEZNQCLSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000093773091 345886262 /nfs/dbraw/zinc/88/62/62/345886262.db2.gz XFAARSBPMNKZFQ-AWEZNQCLSA-N 1 2 291.391 3.023 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@H](CC)CO1 ZINC000403852486 346598075 /nfs/dbraw/zinc/59/80/75/346598075.db2.gz GTPBCDQSHXRFCB-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@H](CC)CO1 ZINC000403852486 346598079 /nfs/dbraw/zinc/59/80/79/346598079.db2.gz GTPBCDQSHXRFCB-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000405090274 346602100 /nfs/dbraw/zinc/60/21/00/346602100.db2.gz SMALMCSLAOBXTJ-LLVKDONJSA-N 1 2 262.303 3.309 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000405090274 346602104 /nfs/dbraw/zinc/60/21/04/346602104.db2.gz SMALMCSLAOBXTJ-LLVKDONJSA-N 1 2 262.303 3.309 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncn1C(C)C)c1ccc(F)cc1 ZINC000491812895 346629790 /nfs/dbraw/zinc/62/97/90/346629790.db2.gz PBKJJYHCCZHHPR-INIZCTEOSA-N 1 2 271.339 3.067 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)CCCCCC#N)ccc2n1C ZINC000588622559 346763564 /nfs/dbraw/zinc/76/35/64/346763564.db2.gz IYEPXVTVUPCXAL-UHFFFAOYSA-N 1 2 284.363 3.294 20 30 CGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC1(F)F)CC2 ZINC000589344206 346794321 /nfs/dbraw/zinc/79/43/21/346794321.db2.gz LQFJZRKRPLQMAK-UONOGXRCSA-N 1 2 262.303 3.323 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)nc1 ZINC000593960301 347124060 /nfs/dbraw/zinc/12/40/60/347124060.db2.gz UJIIYWKYWFZYKJ-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)nc1 ZINC000593960301 347124062 /nfs/dbraw/zinc/12/40/62/347124062.db2.gz UJIIYWKYWFZYKJ-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CCCCC#N ZINC000593998412 347133969 /nfs/dbraw/zinc/13/39/69/347133969.db2.gz KBUFUMNXKFOJRZ-UHFFFAOYSA-N 1 2 275.352 3.281 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000594710452 347212116 /nfs/dbraw/zinc/21/21/16/347212116.db2.gz LQXUEXPABBPSKZ-KBPBESRZSA-N 1 2 281.783 3.498 20 30 CGEDLO CC[N@@H+](Cc1cn(-c2ccc(C)cc2)nc1C)C[C@H](C)C#N ZINC000594599644 347199068 /nfs/dbraw/zinc/19/90/68/347199068.db2.gz CLAVWVQDOGRDCL-OAHLLOKOSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[N@H+](Cc1cn(-c2ccc(C)cc2)nc1C)C[C@H](C)C#N ZINC000594599644 347199071 /nfs/dbraw/zinc/19/90/71/347199071.db2.gz CLAVWVQDOGRDCL-OAHLLOKOSA-N 1 2 296.418 3.471 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1OC ZINC000594616058 347205016 /nfs/dbraw/zinc/20/50/16/347205016.db2.gz XXABICWFZSDNNH-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1OC ZINC000594616058 347205018 /nfs/dbraw/zinc/20/50/18/347205018.db2.gz XXABICWFZSDNNH-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cc(C[NH2+]CC(F)(F)C(C)(C)C)ccc1C#N ZINC000595001746 347253000 /nfs/dbraw/zinc/25/30/00/347253000.db2.gz XAWXQDZNHRICBO-UHFFFAOYSA-N 1 2 282.334 3.338 20 30 CGEDLO CC[N@@H+](Cc1cc(F)ccc1OC(F)F)C[C@@H](C)C#N ZINC000595298984 347289377 /nfs/dbraw/zinc/28/93/77/347289377.db2.gz UHYCKGMBGQADTN-JTQLQIEISA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@H+](Cc1cc(F)ccc1OC(F)F)C[C@@H](C)C#N ZINC000595298984 347289378 /nfs/dbraw/zinc/28/93/78/347289378.db2.gz UHYCKGMBGQADTN-JTQLQIEISA-N 1 2 286.297 3.409 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595329610 347293069 /nfs/dbraw/zinc/29/30/69/347293069.db2.gz VRXGRDWPXLVSIC-UHFFFAOYSA-N 1 2 282.391 3.392 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595329610 347293076 /nfs/dbraw/zinc/29/30/76/347293076.db2.gz VRXGRDWPXLVSIC-UHFFFAOYSA-N 1 2 282.391 3.392 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595348737 347295148 /nfs/dbraw/zinc/29/51/48/347295148.db2.gz UTWNKJHMDSUAGE-UHFFFAOYSA-N 1 2 293.342 3.496 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595348737 347295150 /nfs/dbraw/zinc/29/51/50/347295150.db2.gz UTWNKJHMDSUAGE-UHFFFAOYSA-N 1 2 293.342 3.496 20 30 CGEDLO N#C[C@@]1(F)CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595457394 347306531 /nfs/dbraw/zinc/30/65/31/347306531.db2.gz WWWSYPBWNQTELN-HOCLYGCPSA-N 1 2 258.340 3.044 20 30 CGEDLO N#C[C@@]1(F)CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595457394 347306534 /nfs/dbraw/zinc/30/65/34/347306534.db2.gz WWWSYPBWNQTELN-HOCLYGCPSA-N 1 2 258.340 3.044 20 30 CGEDLO Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)cc(C)[nH+]1 ZINC000596277005 347409553 /nfs/dbraw/zinc/40/95/53/347409553.db2.gz DSJXCHVMMUCYFH-UHFFFAOYSA-N 1 2 296.330 3.399 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000595843067 347366337 /nfs/dbraw/zinc/36/63/37/347366337.db2.gz YBPIPPUEMJUHIN-INIZCTEOSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000595843067 347366338 /nfs/dbraw/zinc/36/63/38/347366338.db2.gz YBPIPPUEMJUHIN-INIZCTEOSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595857721 347368236 /nfs/dbraw/zinc/36/82/36/347368236.db2.gz RFXLOTCDJJYFCD-ZDUSSCGKSA-N 1 2 294.354 3.219 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595857721 347368239 /nfs/dbraw/zinc/36/82/39/347368239.db2.gz RFXLOTCDJJYFCD-ZDUSSCGKSA-N 1 2 294.354 3.219 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887341 347369945 /nfs/dbraw/zinc/36/99/45/347369945.db2.gz RQOPXBDGIVBWSU-BXUZGUMPSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887341 347369947 /nfs/dbraw/zinc/36/99/47/347369947.db2.gz RQOPXBDGIVBWSU-BXUZGUMPSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887730 347370888 /nfs/dbraw/zinc/37/08/88/347370888.db2.gz BMOUNLHDOAOBJO-FZMZJTMJSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887730 347370891 /nfs/dbraw/zinc/37/08/91/347370891.db2.gz BMOUNLHDOAOBJO-FZMZJTMJSA-N 1 2 298.308 3.100 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000595923251 347372729 /nfs/dbraw/zinc/37/27/29/347372729.db2.gz WWBBATCHZIAMQM-LRDDRELGSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000595923251 347372731 /nfs/dbraw/zinc/37/27/31/347372731.db2.gz WWBBATCHZIAMQM-LRDDRELGSA-N 1 2 294.345 3.111 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000597230549 347558943 /nfs/dbraw/zinc/55/89/43/347558943.db2.gz HAGGIPHKMZUNSL-CQSZACIVSA-N 1 2 275.739 3.217 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000597230549 347558949 /nfs/dbraw/zinc/55/89/49/347558949.db2.gz HAGGIPHKMZUNSL-CQSZACIVSA-N 1 2 275.739 3.217 20 30 CGEDLO Cc1ccc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)[nH]c2c1 ZINC000597229965 347559168 /nfs/dbraw/zinc/55/91/68/347559168.db2.gz DCKCBNFSMNQXMI-MRXNPFEDSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1ccc2cc(C[N@H+]3CC[C@](C)(C#N)C3)[nH]c2c1 ZINC000597229965 347559173 /nfs/dbraw/zinc/55/91/73/347559173.db2.gz DCKCBNFSMNQXMI-MRXNPFEDSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1nccnc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000598671954 347676987 /nfs/dbraw/zinc/67/69/87/347676987.db2.gz GTLHTUIOXJMXBQ-FUHWJXTLSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1nccnc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000598671954 347676990 /nfs/dbraw/zinc/67/69/90/347676990.db2.gz GTLHTUIOXJMXBQ-FUHWJXTLSA-N 1 2 292.386 3.057 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000599643965 347761666 /nfs/dbraw/zinc/76/16/66/347761666.db2.gz JOXHHZHCQZNWGB-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000599643965 347761669 /nfs/dbraw/zinc/76/16/69/347761669.db2.gz JOXHHZHCQZNWGB-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO Cc1nc(N2CCc3c(CC#N)cccc3C2)c(C)c(C)[nH+]1 ZINC000599195125 347725446 /nfs/dbraw/zinc/72/54/46/347725446.db2.gz OHIACGUPLCYYAG-UHFFFAOYSA-N 1 2 292.386 3.031 20 30 CGEDLO COc1cc(C[NH+]2CC(CC#N)C2)cc(C(F)(F)F)c1 ZINC000600180189 347789793 /nfs/dbraw/zinc/78/97/93/347789793.db2.gz IETKIJJNDNSGLJ-UHFFFAOYSA-N 1 2 284.281 3.059 20 30 CGEDLO C=CC[N@@H+](Cc1nnnn1CCCC)CC1CCCCC1 ZINC000601755482 347911432 /nfs/dbraw/zinc/91/14/32/347911432.db2.gz IGLXZEYRNLMMBD-UHFFFAOYSA-N 1 2 291.443 3.042 20 30 CGEDLO C=CC[N@H+](Cc1nnnn1CCCC)CC1CCCCC1 ZINC000601755482 347911434 /nfs/dbraw/zinc/91/14/34/347911434.db2.gz IGLXZEYRNLMMBD-UHFFFAOYSA-N 1 2 291.443 3.042 20 30 CGEDLO CC[N@H+](Cc1cccc(C#N)n1)Cc1c(F)cccc1F ZINC000602455460 347961103 /nfs/dbraw/zinc/96/11/03/347961103.db2.gz SSPGHTFYSBAXIF-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1cccc(C#N)n1)Cc1c(F)cccc1F ZINC000602455460 347961105 /nfs/dbraw/zinc/96/11/05/347961105.db2.gz SSPGHTFYSBAXIF-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccns1 ZINC000602481562 347965807 /nfs/dbraw/zinc/96/58/07/347965807.db2.gz GHPKFAPOQHEZFJ-HZPDHXFCSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccns1 ZINC000602481562 347965809 /nfs/dbraw/zinc/96/58/09/347965809.db2.gz GHPKFAPOQHEZFJ-HZPDHXFCSA-N 1 2 283.400 3.415 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000602624295 347996113 /nfs/dbraw/zinc/99/61/13/347996113.db2.gz LQMZXEHGPRRYOF-BLLLJJGKSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000602624295 347996115 /nfs/dbraw/zinc/99/61/15/347996115.db2.gz LQMZXEHGPRRYOF-BLLLJJGKSA-N 1 2 294.345 3.278 20 30 CGEDLO Cc1cc(C#N)cc(N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000602687471 348009703 /nfs/dbraw/zinc/00/97/03/348009703.db2.gz XARJIIJOQGETIC-HNNXBMFYSA-N 1 2 266.348 3.163 20 30 CGEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000602786813 348029071 /nfs/dbraw/zinc/02/90/71/348029071.db2.gz YBOYSBOIFZZWES-BBRMVZONSA-N 1 2 288.366 3.281 20 30 CGEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000602786813 348029075 /nfs/dbraw/zinc/02/90/75/348029075.db2.gz YBOYSBOIFZZWES-BBRMVZONSA-N 1 2 288.366 3.281 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(=O)OC ZINC000602733489 348021027 /nfs/dbraw/zinc/02/10/27/348021027.db2.gz IOGHXOQLGAOYSK-FRRDWIJNSA-N 1 2 285.453 3.004 20 30 CGEDLO COCc1cc(C#N)ccc1NCCc1[nH+]cccc1C ZINC000603384882 348077006 /nfs/dbraw/zinc/07/70/06/348077006.db2.gz BCPPWLUIIZXDOX-UHFFFAOYSA-N 1 2 281.359 3.063 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000602863078 348038379 /nfs/dbraw/zinc/03/83/79/348038379.db2.gz NQBMTILVUBKVRS-SNVBAGLBSA-N 1 2 275.739 3.387 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602974907 348048648 /nfs/dbraw/zinc/04/86/48/348048648.db2.gz VSRSJLXXQVXLQY-RISCZKNCSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602974907 348048649 /nfs/dbraw/zinc/04/86/49/348048649.db2.gz VSRSJLXXQVXLQY-RISCZKNCSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[C@H]1C#N ZINC000602977731 348049274 /nfs/dbraw/zinc/04/92/74/348049274.db2.gz GIVGPWJFYNBCPL-WMLDXEAASA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[C@H]1C#N ZINC000602977731 348049276 /nfs/dbraw/zinc/04/92/76/348049276.db2.gz GIVGPWJFYNBCPL-WMLDXEAASA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602980656 348051156 /nfs/dbraw/zinc/05/11/56/348051156.db2.gz SUCYQYVTPBGJGD-ROUUACIJSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[C@H]1C#N ZINC000602980656 348051159 /nfs/dbraw/zinc/05/11/59/348051159.db2.gz SUCYQYVTPBGJGD-ROUUACIJSA-N 1 2 294.402 3.055 20 30 CGEDLO CC#CCN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000607724011 348258345 /nfs/dbraw/zinc/25/83/45/348258345.db2.gz GPHJEDJUWYYBLT-CQSZACIVSA-N 1 2 276.811 3.042 20 30 CGEDLO CC#CC[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000607724011 348258346 /nfs/dbraw/zinc/25/83/46/348258346.db2.gz GPHJEDJUWYYBLT-CQSZACIVSA-N 1 2 276.811 3.042 20 30 CGEDLO CC(C)c1noc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000610344009 348376479 /nfs/dbraw/zinc/37/64/79/348376479.db2.gz YJKDISRCIHQKQG-NEPJUHHUSA-N 1 2 284.363 3.476 20 30 CGEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000610992771 348415433 /nfs/dbraw/zinc/41/54/33/348415433.db2.gz IUGCGSBSRKNKGS-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000610992771 348415436 /nfs/dbraw/zinc/41/54/36/348415436.db2.gz IUGCGSBSRKNKGS-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994537 348416638 /nfs/dbraw/zinc/41/66/38/348416638.db2.gz SWUNIOARCLCZFE-NSHDSACASA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994537 348416643 /nfs/dbraw/zinc/41/66/43/348416643.db2.gz SWUNIOARCLCZFE-NSHDSACASA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cscn1 ZINC000611336525 348438636 /nfs/dbraw/zinc/43/86/36/348438636.db2.gz URPZHHSMSMWHNQ-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO CCC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CC1 ZINC000611346755 348440048 /nfs/dbraw/zinc/44/00/48/348440048.db2.gz HWJCSVJMLPMHDT-UHFFFAOYSA-N 1 2 294.402 3.427 20 30 CGEDLO CCC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CC1 ZINC000611346755 348440050 /nfs/dbraw/zinc/44/00/50/348440050.db2.gz HWJCSVJMLPMHDT-UHFFFAOYSA-N 1 2 294.402 3.427 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611519691 348457834 /nfs/dbraw/zinc/45/78/34/348457834.db2.gz KQCQIXRQWZUVTO-MNOVXSKESA-N 1 2 254.337 3.002 20 30 CGEDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611727542 348471827 /nfs/dbraw/zinc/47/18/27/348471827.db2.gz YPYCWIJDBYIIMA-BBRMVZONSA-N 1 2 288.391 3.187 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161379 348497947 /nfs/dbraw/zinc/49/79/47/348497947.db2.gz DBGLYRZTBQASOG-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1ccc(C)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161379 348497949 /nfs/dbraw/zinc/49/79/49/348497949.db2.gz DBGLYRZTBQASOG-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000612166150 348499068 /nfs/dbraw/zinc/49/90/68/348499068.db2.gz BIHVTKOJYAIMMT-OAHLLOKOSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000612166150 348499071 /nfs/dbraw/zinc/49/90/71/348499071.db2.gz BIHVTKOJYAIMMT-OAHLLOKOSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000612405920 348516914 /nfs/dbraw/zinc/51/69/14/348516914.db2.gz FBHUJAYRMMWTHN-OAHLLOKOSA-N 1 2 286.404 3.264 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000612405920 348516917 /nfs/dbraw/zinc/51/69/17/348516917.db2.gz FBHUJAYRMMWTHN-OAHLLOKOSA-N 1 2 286.404 3.264 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000612406749 348517347 /nfs/dbraw/zinc/51/73/47/348517347.db2.gz SJOJJOFBGDTLIA-INIZCTEOSA-N 1 2 294.345 3.456 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000612406749 348517349 /nfs/dbraw/zinc/51/73/49/348517349.db2.gz SJOJJOFBGDTLIA-INIZCTEOSA-N 1 2 294.345 3.456 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612407114 348517495 /nfs/dbraw/zinc/51/74/95/348517495.db2.gz YSJXWGIYUKYTQQ-QGZVFWFLSA-N 1 2 288.439 3.381 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612407114 348517497 /nfs/dbraw/zinc/51/74/97/348517497.db2.gz YSJXWGIYUKYTQQ-QGZVFWFLSA-N 1 2 288.439 3.381 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000612406501 348517570 /nfs/dbraw/zinc/51/75/70/348517570.db2.gz NTPACYNUTCUANJ-KRWDZBQOSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000612406501 348517571 /nfs/dbraw/zinc/51/75/71/348517571.db2.gz NTPACYNUTCUANJ-KRWDZBQOSA-N 1 2 280.375 3.202 20 30 CGEDLO C[N@H+](Cc1ccon1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168028 348654383 /nfs/dbraw/zinc/65/43/83/348654383.db2.gz KHXXZYBGYIXOER-UHFFFAOYSA-N 1 2 269.348 3.108 20 30 CGEDLO C[N@@H+](Cc1ccon1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168028 348654384 /nfs/dbraw/zinc/65/43/84/348654384.db2.gz KHXXZYBGYIXOER-UHFFFAOYSA-N 1 2 269.348 3.108 20 30 CGEDLO CCc1cc(N2CC[C@](F)(C#N)C2)c2ccccc2[nH+]1 ZINC000615530330 348747813 /nfs/dbraw/zinc/74/78/13/348747813.db2.gz HBYONGBFIITFKY-INIZCTEOSA-N 1 2 269.323 3.239 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000617782716 349011526 /nfs/dbraw/zinc/01/15/26/349011526.db2.gz LBVYWLUKHGXUSB-OAHLLOKOSA-N 1 2 297.402 3.159 20 30 CGEDLO C=CCCO[C@@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273964480 192380763 /nfs/dbraw/zinc/38/07/63/192380763.db2.gz PLAFJIZHLNENRP-LBPRGKRZSA-N 1 2 273.336 3.018 20 30 CGEDLO Cc1cccn2cc(CN3CCCC(C)(C)[C@@H]3C#N)[nH+]c12 ZINC000618316832 349068513 /nfs/dbraw/zinc/06/85/13/349068513.db2.gz GDVDODDVLGACGP-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(C)c(Cl)c1 ZINC000618593629 349115824 /nfs/dbraw/zinc/11/58/24/349115824.db2.gz DBIWAYDHSSKOHC-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)c(Cl)c1 ZINC000618593629 349115827 /nfs/dbraw/zinc/11/58/27/349115827.db2.gz DBIWAYDHSSKOHC-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO C[C@]1(C#N)CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000619489664 349253999 /nfs/dbraw/zinc/25/39/99/349253999.db2.gz BLLYBTXYHUZODF-MRXNPFEDSA-N 1 2 267.332 3.070 20 30 CGEDLO C=C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC000619699494 349276617 /nfs/dbraw/zinc/27/66/17/349276617.db2.gz CRDZUDVEHOMKGB-SFHVURJKSA-N 1 2 295.382 3.136 20 30 CGEDLO C=C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OC ZINC000619700445 349276634 /nfs/dbraw/zinc/27/66/34/349276634.db2.gz XRCWAZPSVWNCCU-UYSNPLJNSA-N 1 2 273.376 3.030 20 30 CGEDLO C=C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC000619699493 349276683 /nfs/dbraw/zinc/27/66/83/349276683.db2.gz CRDZUDVEHOMKGB-GOSISDBHSA-N 1 2 295.382 3.136 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000620606708 349392078 /nfs/dbraw/zinc/39/20/78/349392078.db2.gz ZCKDCLMJEYLALV-HOCLYGCPSA-N 1 2 297.402 3.347 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccncc1Br ZINC000625377567 350166016 /nfs/dbraw/zinc/16/60/16/350166016.db2.gz MPNQQASYCOQROZ-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccncc1Br ZINC000625377567 350166018 /nfs/dbraw/zinc/16/60/18/350166018.db2.gz MPNQQASYCOQROZ-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000626432408 350306058 /nfs/dbraw/zinc/30/60/58/350306058.db2.gz OKYGFJFWNIPTEX-UHFFFAOYSA-N 1 2 261.369 3.422 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C)o1 ZINC000628272920 350473499 /nfs/dbraw/zinc/47/34/99/350473499.db2.gz CHQMQLYJPSDTSC-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C)o1 ZINC000628272920 350473504 /nfs/dbraw/zinc/47/35/04/350473504.db2.gz CHQMQLYJPSDTSC-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=CCCOc1ccccc1-c1ccc(N[C@@H](C)CO)[nH+]c1 ZINC000629735939 350757952 /nfs/dbraw/zinc/75/79/52/350757952.db2.gz IRJDBDSHSCSXHM-AWEZNQCLSA-N 1 2 298.386 3.496 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000636172216 351728275 /nfs/dbraw/zinc/72/82/75/351728275.db2.gz WBMHUIMSYLOTTF-HOTGVXAUSA-N 1 2 289.423 3.285 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@H]2c2nccs2)ccc1C#N ZINC000369706801 234393910 /nfs/dbraw/zinc/39/39/10/234393910.db2.gz NDUCSFVDZHKEEY-AWEZNQCLSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@H]2c2nccs2)ccc1C#N ZINC000369706801 234393914 /nfs/dbraw/zinc/39/39/14/234393914.db2.gz NDUCSFVDZHKEEY-AWEZNQCLSA-N 1 2 299.399 3.360 20 30 CGEDLO N#Cc1ccc(C[NH+]2CCSCC2)c(C(F)(F)F)c1 ZINC000334384028 283141858 /nfs/dbraw/zinc/14/18/58/283141858.db2.gz LLFCZTYMPLWVPE-UHFFFAOYSA-N 1 2 286.322 3.126 20 30 CGEDLO C=CCCCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000175472810 188952463 /nfs/dbraw/zinc/95/24/63/188952463.db2.gz KEXCOWZXADWUNR-UHFFFAOYSA-N 1 2 276.380 3.022 20 30 CGEDLO Cc1cc(NCCCO[C@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000425205228 236220712 /nfs/dbraw/zinc/22/07/12/236220712.db2.gz VGRLNVMWFJSCLC-OAHLLOKOSA-N 1 2 295.386 3.263 20 30 CGEDLO CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425243757 236223310 /nfs/dbraw/zinc/22/33/10/236223310.db2.gz GCBDSMUSQQXVRA-SJCJKPOMSA-N 1 2 299.349 3.011 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccco1 ZINC000439447460 238256143 /nfs/dbraw/zinc/25/61/43/238256143.db2.gz YOALTYOAKMODDE-CQSZACIVSA-N 1 2 290.750 3.282 20 30 CGEDLO C[C@H]1SCC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000160502307 291260963 /nfs/dbraw/zinc/26/09/63/291260963.db2.gz LEKQEVCFTZCURV-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H]1SCC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000160502307 291260965 /nfs/dbraw/zinc/26/09/65/291260965.db2.gz LEKQEVCFTZCURV-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO N#Cc1cc(Cl)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301661055 201121588 /nfs/dbraw/zinc/12/15/88/201121588.db2.gz XNWFEKDXOTWPCO-OAHLLOKOSA-N 1 2 299.761 3.264 20 30 CGEDLO Cc1cc[nH+]c(NCCOc2ccc(C#N)cc2)c1Cl ZINC000342368693 216328708 /nfs/dbraw/zinc/32/87/08/216328708.db2.gz MNHMGPOJALDWCI-UHFFFAOYSA-N 1 2 287.750 3.406 20 30 CGEDLO Cc1ccc(C#N)c(Oc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000342408640 216341511 /nfs/dbraw/zinc/34/15/11/216341511.db2.gz ANXJSAXLAZXNDD-UHFFFAOYSA-N 1 2 276.299 3.240 20 30 CGEDLO Cc1sccc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459623203 242151109 /nfs/dbraw/zinc/15/11/09/242151109.db2.gz ZBHRMKIFAAIKEB-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000121636495 370881237 /nfs/dbraw/zinc/88/12/37/370881237.db2.gz XLKCQSWUYSVFMY-ZDUSSCGKSA-N 1 2 290.432 3.022 20 30 CGEDLO C=CC[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000121636495 370881239 /nfs/dbraw/zinc/88/12/39/370881239.db2.gz XLKCQSWUYSVFMY-ZDUSSCGKSA-N 1 2 290.432 3.022 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)s1 ZINC000058575395 369571029 /nfs/dbraw/zinc/57/10/29/369571029.db2.gz KMFKXDSCXYNTSE-MRVPVSSYSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Br)s1 ZINC000058575395 369571034 /nfs/dbraw/zinc/57/10/34/369571034.db2.gz KMFKXDSCXYNTSE-MRVPVSSYSA-N 1 2 273.199 3.245 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(CC(C)C)no1 ZINC000065959578 369687204 /nfs/dbraw/zinc/68/72/04/369687204.db2.gz HQTITEQWLCOPSO-UHFFFAOYSA-N 1 2 299.418 3.499 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(CC(C)C)no1 ZINC000065959578 369687207 /nfs/dbraw/zinc/68/72/07/369687207.db2.gz HQTITEQWLCOPSO-UHFFFAOYSA-N 1 2 299.418 3.499 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)C[C@H](C)C#N ZINC000091983344 370085444 /nfs/dbraw/zinc/08/54/44/370085444.db2.gz SAZXLGFMHVEQFH-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C[C@H](C)C#N ZINC000091983344 370085449 /nfs/dbraw/zinc/08/54/49/370085449.db2.gz SAZXLGFMHVEQFH-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO C#CC[N@@H+](Cc1scnc1C)Cc1ccc(F)cc1 ZINC000092541666 370098092 /nfs/dbraw/zinc/09/80/92/370098092.db2.gz JAPGPDPOXKANDN-UHFFFAOYSA-N 1 2 274.364 3.226 20 30 CGEDLO C#CC[N@H+](Cc1scnc1C)Cc1ccc(F)cc1 ZINC000092541666 370098096 /nfs/dbraw/zinc/09/80/96/370098096.db2.gz JAPGPDPOXKANDN-UHFFFAOYSA-N 1 2 274.364 3.226 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000107287018 370354346 /nfs/dbraw/zinc/35/43/46/370354346.db2.gz DAQUZXTXDRYSMR-UHFFFAOYSA-N 1 2 268.316 3.207 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157634437 372029658 /nfs/dbraw/zinc/02/96/58/372029658.db2.gz NNJMGDURKQDCHM-KBPBESRZSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157634437 372029662 /nfs/dbraw/zinc/02/96/62/372029662.db2.gz NNJMGDURKQDCHM-KBPBESRZSA-N 1 2 287.407 3.058 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000157677616 372032862 /nfs/dbraw/zinc/03/28/62/372032862.db2.gz XYASIRPGJTZDQM-GJZGRUSLSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000157677616 372032865 /nfs/dbraw/zinc/03/28/65/372032865.db2.gz XYASIRPGJTZDQM-GJZGRUSLSA-N 1 2 287.407 3.112 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)c(F)c1 ZINC000157893924 372042461 /nfs/dbraw/zinc/04/24/61/372042461.db2.gz MUJSJSISDCIYRS-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(F)c3C2)c(F)c1 ZINC000157893924 372042464 /nfs/dbraw/zinc/04/24/64/372042464.db2.gz MUJSJSISDCIYRS-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=CC[C@H](CC)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425287325 372119762 /nfs/dbraw/zinc/11/97/62/372119762.db2.gz IVOPCLWOARRFJS-HOTGVXAUSA-N 1 2 297.402 3.403 20 30 CGEDLO Cc1nc2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2s1 ZINC000426394700 372155402 /nfs/dbraw/zinc/15/54/02/372155402.db2.gz KMVGLVYVEACYKK-SNVBAGLBSA-N 1 2 259.378 3.196 20 30 CGEDLO Cc1nc2ccc(C[N@H+](C)C[C@H](C)C#N)cc2s1 ZINC000426394700 372155410 /nfs/dbraw/zinc/15/54/10/372155410.db2.gz KMVGLVYVEACYKK-SNVBAGLBSA-N 1 2 259.378 3.196 20 30 CGEDLO C=CCCCCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000291602649 372171181 /nfs/dbraw/zinc/17/11/81/372171181.db2.gz AFUHQCLORZCEAU-UHFFFAOYSA-N 1 2 277.412 3.294 20 30 CGEDLO C=CCCCCCCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000291602649 372171187 /nfs/dbraw/zinc/17/11/87/372171187.db2.gz AFUHQCLORZCEAU-UHFFFAOYSA-N 1 2 277.412 3.294 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ncn1 ZINC000428257218 372185200 /nfs/dbraw/zinc/18/52/00/372185200.db2.gz SFGABIZNRYTKOZ-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ncn1 ZINC000428257218 372185207 /nfs/dbraw/zinc/18/52/07/372185207.db2.gz SFGABIZNRYTKOZ-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)ccc1F ZINC000160732427 372270955 /nfs/dbraw/zinc/27/09/55/372270955.db2.gz MCYCNHSMTKBCCB-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)ccc1F ZINC000160732427 372270962 /nfs/dbraw/zinc/27/09/62/372270962.db2.gz MCYCNHSMTKBCCB-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCOc1ccccc1C ZINC000428872091 372275283 /nfs/dbraw/zinc/27/52/83/372275283.db2.gz LKEUAFQEXCXDBF-UHFFFAOYSA-N 1 2 258.365 3.166 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCOc1ccccc1C ZINC000428872091 372275287 /nfs/dbraw/zinc/27/52/87/372275287.db2.gz LKEUAFQEXCXDBF-UHFFFAOYSA-N 1 2 258.365 3.166 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000293253623 372337039 /nfs/dbraw/zinc/33/70/39/372337039.db2.gz ZNGMAEHJZSZABY-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161690547 372347316 /nfs/dbraw/zinc/34/73/16/372347316.db2.gz VOFBZBHIXMIDQW-UHFFFAOYSA-N 1 2 294.196 3.333 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000161690547 372347320 /nfs/dbraw/zinc/34/73/20/372347320.db2.gz VOFBZBHIXMIDQW-UHFFFAOYSA-N 1 2 294.196 3.333 20 30 CGEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]c2ccc(F)cc2n1C ZINC000431022960 372417076 /nfs/dbraw/zinc/41/70/76/372417076.db2.gz PPEYAFIPYRDLPL-UHFFFAOYSA-N 1 2 294.333 3.220 20 30 CGEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000293676401 372446628 /nfs/dbraw/zinc/44/66/28/372446628.db2.gz VDUPAMYZJYOZPX-CQSZACIVSA-N 1 2 291.395 3.067 20 30 CGEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000293676401 372446634 /nfs/dbraw/zinc/44/66/34/372446634.db2.gz VDUPAMYZJYOZPX-CQSZACIVSA-N 1 2 291.395 3.067 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1sccc1Br ZINC000165044443 372541761 /nfs/dbraw/zinc/54/17/61/372541761.db2.gz YMOBWKMPGGHLQB-UHFFFAOYSA-N 1 2 273.199 3.150 20 30 CGEDLO Cc1ccc(C(=O)CC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433297583 372586234 /nfs/dbraw/zinc/58/62/34/372586234.db2.gz LRJPVFFOYWQFSP-UHFFFAOYSA-N 1 2 258.365 3.049 20 30 CGEDLO Cc1ccc(C(=O)CC[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433297583 372586241 /nfs/dbraw/zinc/58/62/41/372586241.db2.gz LRJPVFFOYWQFSP-UHFFFAOYSA-N 1 2 258.365 3.049 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nccn1CC ZINC000295238098 372714350 /nfs/dbraw/zinc/71/43/50/372714350.db2.gz OUFMWSPAKNORJK-AWEZNQCLSA-N 1 2 285.391 3.319 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000172320668 372941786 /nfs/dbraw/zinc/94/17/86/372941786.db2.gz QNTSWSLXITYLOH-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cs1 ZINC000172320668 372941799 /nfs/dbraw/zinc/94/17/99/372941799.db2.gz QNTSWSLXITYLOH-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)[C@@H](C)O1 ZINC000439434632 372976892 /nfs/dbraw/zinc/97/68/92/372976892.db2.gz CCAVEPHXLNZQJN-IJLUTSLNSA-N 1 2 278.783 3.209 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)[C@@H](C)O1 ZINC000439434632 372976908 /nfs/dbraw/zinc/97/69/08/372976908.db2.gz CCAVEPHXLNZQJN-IJLUTSLNSA-N 1 2 278.783 3.209 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](F)CC ZINC000440705535 372990489 /nfs/dbraw/zinc/99/04/89/372990489.db2.gz PEIZMXRBECQZLK-CYBMUJFWSA-N 1 2 266.316 3.331 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](F)CC ZINC000440705535 372990497 /nfs/dbraw/zinc/99/04/97/372990497.db2.gz PEIZMXRBECQZLK-CYBMUJFWSA-N 1 2 266.316 3.331 20 30 CGEDLO CCN(CC)c1ccc(N[C@H]2CC[C@@H](C#N)C2)c[nH+]1 ZINC000442848687 373102604 /nfs/dbraw/zinc/10/26/04/373102604.db2.gz SIMFBAYYISYLPF-OLZOCXBDSA-N 1 2 258.369 3.032 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248691 373274524 /nfs/dbraw/zinc/27/45/24/373274524.db2.gz USQLKZJKTZQAOB-UHFFFAOYSA-N 1 2 296.754 3.191 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)[C@@H](C)O1 ZINC000446068755 373318407 /nfs/dbraw/zinc/31/84/07/373318407.db2.gz JFRXFIITROUGIS-HZSPNIEDSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)[C@@H](C)O1 ZINC000446068755 373318413 /nfs/dbraw/zinc/31/84/13/373318413.db2.gz JFRXFIITROUGIS-HZSPNIEDSA-N 1 2 277.795 3.189 20 30 CGEDLO N#C[C@H]1[N@H+](CC2CCCCC2)CCC[C@@]12CCCCO2 ZINC000447912811 373520763 /nfs/dbraw/zinc/52/07/63/373520763.db2.gz KVWLMNOWPVKCHK-SJORKVTESA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@H]1[N@@H+](CC2CCCCC2)CCC[C@@]12CCCCO2 ZINC000447912811 373520776 /nfs/dbraw/zinc/52/07/76/373520776.db2.gz KVWLMNOWPVKCHK-SJORKVTESA-N 1 2 276.424 3.494 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178672411 373803779 /nfs/dbraw/zinc/80/37/79/373803779.db2.gz CPHZJRJMBDIPGY-AWEZNQCLSA-N 1 2 268.335 3.056 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000178672411 373803781 /nfs/dbraw/zinc/80/37/81/373803781.db2.gz CPHZJRJMBDIPGY-AWEZNQCLSA-N 1 2 268.335 3.056 20 30 CGEDLO C=CC[C@H](CO)Nc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000302825693 373977744 /nfs/dbraw/zinc/97/77/44/373977744.db2.gz HAUVIUGZIWEEGP-GFCCVEGCSA-N 1 2 277.412 3.246 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C[C@@H](C)C#N ZINC000450328098 374060715 /nfs/dbraw/zinc/06/07/15/374060715.db2.gz NOVFXLXLEARURV-NSHDSACASA-N 1 2 294.782 3.108 20 30 CGEDLO CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C[C@@H](C)C#N ZINC000450328098 374060723 /nfs/dbraw/zinc/06/07/23/374060723.db2.gz NOVFXLXLEARURV-NSHDSACASA-N 1 2 294.782 3.108 20 30 CGEDLO COc1cc(C#N)cc(OCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000319133826 374344176 /nfs/dbraw/zinc/34/41/76/374344176.db2.gz GAPGXNSDELRFOB-UHFFFAOYSA-N 1 2 298.342 3.166 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC(F)(F)C1 ZINC000328649094 374373721 /nfs/dbraw/zinc/37/37/21/374373721.db2.gz IKZLHFKNHAWWBR-VHSXEESVSA-N 1 2 283.322 3.049 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC(F)(F)C1 ZINC000328649094 374373728 /nfs/dbraw/zinc/37/37/28/374373728.db2.gz IKZLHFKNHAWWBR-VHSXEESVSA-N 1 2 283.322 3.049 20 30 CGEDLO CC1(C)CCC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328973422 374398722 /nfs/dbraw/zinc/39/87/22/374398722.db2.gz VQCYJSIXKJYRTE-NWDGAFQWSA-N 1 2 275.396 3.440 20 30 CGEDLO CC1(C)CCC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328973422 374398732 /nfs/dbraw/zinc/39/87/32/374398732.db2.gz VQCYJSIXKJYRTE-NWDGAFQWSA-N 1 2 275.396 3.440 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@]23CCOC3)c1 ZINC000329617634 374415446 /nfs/dbraw/zinc/41/54/46/374415446.db2.gz QGDGQQTVQLGFRM-YOEHRIQHSA-N 1 2 297.358 3.102 20 30 CGEDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC000334450085 374760824 /nfs/dbraw/zinc/76/08/24/374760824.db2.gz STFJNXKSCOVGJK-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2C#N)cn1 ZINC000334450085 374760835 /nfs/dbraw/zinc/76/08/35/374760835.db2.gz STFJNXKSCOVGJK-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(F)F ZINC000334670242 374959566 /nfs/dbraw/zinc/95/95/66/374959566.db2.gz GZNAXTSKZBVKGU-RNCFNFMXSA-N 1 2 250.292 3.179 20 30 CGEDLO C=CC[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000186746464 374910278 /nfs/dbraw/zinc/91/02/78/374910278.db2.gz DNSRBTKGDAVOKS-KRWDZBQOSA-N 1 2 297.402 3.092 20 30 CGEDLO C=CCC[C@@H](C(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000187293065 374998411 /nfs/dbraw/zinc/99/84/11/374998411.db2.gz KQRCVYHTOBMFFY-QGZVFWFLSA-N 1 2 297.402 3.139 20 30 CGEDLO C=CCCCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000471703158 375006246 /nfs/dbraw/zinc/00/62/46/375006246.db2.gz SRGUSZKRZBEZMP-UHFFFAOYSA-N 1 2 283.375 3.267 20 30 CGEDLO CCC[N@H+](CC#Cc1ccccc1)CC(=O)OC(C)(C)C ZINC000483716145 375183540 /nfs/dbraw/zinc/18/35/40/375183540.db2.gz YJISZAJTUPEIHE-UHFFFAOYSA-N 1 2 287.403 3.092 20 30 CGEDLO CCC[N@@H+](CC#Cc1ccccc1)CC(=O)OC(C)(C)C ZINC000483716145 375183543 /nfs/dbraw/zinc/18/35/43/375183543.db2.gz YJISZAJTUPEIHE-UHFFFAOYSA-N 1 2 287.403 3.092 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000483920866 375184385 /nfs/dbraw/zinc/18/43/85/375184385.db2.gz BJYJMVUNKHYQMZ-LJQANCHMSA-N 1 2 277.367 3.112 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000483920866 375184391 /nfs/dbraw/zinc/18/43/91/375184391.db2.gz BJYJMVUNKHYQMZ-LJQANCHMSA-N 1 2 277.367 3.112 20 30 CGEDLO COc1cc2c(cc1F)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000484093433 375186560 /nfs/dbraw/zinc/18/65/60/375186560.db2.gz MVKKASAFUSRYBD-UHFFFAOYSA-N 1 2 295.357 3.244 20 30 CGEDLO COc1cc2c(cc1F)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000484093433 375186567 /nfs/dbraw/zinc/18/65/67/375186567.db2.gz MVKKASAFUSRYBD-UHFFFAOYSA-N 1 2 295.357 3.244 20 30 CGEDLO CC(C)C[C@@H](C[N@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746116 375553910 /nfs/dbraw/zinc/55/39/10/375553910.db2.gz ROZCHEQJSLWHSD-KGLIPLIRSA-N 1 2 297.443 3.017 20 30 CGEDLO CC(C)C[C@@H](C[N@@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746116 375553914 /nfs/dbraw/zinc/55/39/14/375553914.db2.gz ROZCHEQJSLWHSD-KGLIPLIRSA-N 1 2 297.443 3.017 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000192073003 375696626 /nfs/dbraw/zinc/69/66/26/375696626.db2.gz BNDFJRFOBVHRQY-MRXNPFEDSA-N 1 2 283.396 3.173 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000192073003 375696634 /nfs/dbraw/zinc/69/66/34/375696634.db2.gz BNDFJRFOBVHRQY-MRXNPFEDSA-N 1 2 283.396 3.173 20 30 CGEDLO C#CCCCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000192108763 375698121 /nfs/dbraw/zinc/69/81/21/375698121.db2.gz RAPAEHCWEPTPOG-UHFFFAOYSA-N 1 2 281.359 3.043 20 30 CGEDLO C=CCN(CC=C)C(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192192847 375710700 /nfs/dbraw/zinc/71/07/00/375710700.db2.gz AABMQACKGKMUTE-UHFFFAOYSA-N 1 2 296.370 3.123 20 30 CGEDLO COc1cccc(C[C@@H]2CCCCC[N@@H+]2CC#N)c1 ZINC000528750239 375908694 /nfs/dbraw/zinc/90/86/94/375908694.db2.gz QQJFENDOEXILQG-HNNXBMFYSA-N 1 2 258.365 3.006 20 30 CGEDLO COc1cccc(C[C@@H]2CCCCC[N@H+]2CC#N)c1 ZINC000528750239 375908701 /nfs/dbraw/zinc/90/87/01/375908701.db2.gz QQJFENDOEXILQG-HNNXBMFYSA-N 1 2 258.365 3.006 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCOCC23CCCC3)c1 ZINC000535674996 376047796 /nfs/dbraw/zinc/04/77/96/376047796.db2.gz JGPOKFWJPXPUKH-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCOCC23CCCC3)c1 ZINC000535674996 376047801 /nfs/dbraw/zinc/04/78/01/376047801.db2.gz JGPOKFWJPXPUKH-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)OCC ZINC000535904868 376070340 /nfs/dbraw/zinc/07/03/40/376070340.db2.gz KQJBQNVPJYDETL-INIZCTEOSA-N 1 2 299.374 3.387 20 30 CGEDLO C=C[C@H](CC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000536191874 376082118 /nfs/dbraw/zinc/08/21/18/376082118.db2.gz MAWPTPPFDLQTMH-MRXNPFEDSA-N 1 2 297.402 3.139 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000220906246 376210422 /nfs/dbraw/zinc/21/04/22/376210422.db2.gz LNWCKLFHUUENDC-VXGBXAGGSA-N 1 2 255.321 3.267 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000220949890 376210987 /nfs/dbraw/zinc/21/09/87/376210987.db2.gz NNSRZGFHJBHPRP-RYUDHWBXSA-N 1 2 255.321 3.267 20 30 CGEDLO C=C(CC)C[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000539492066 376314409 /nfs/dbraw/zinc/31/44/09/376314409.db2.gz XQICXSNLLVJROG-STQMWFEESA-N 1 2 255.402 3.299 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(C#N)cc1 ZINC000338352251 376345144 /nfs/dbraw/zinc/34/51/44/376345144.db2.gz IIIQOWXEOBMEGL-NSHDSACASA-N 1 2 294.314 3.052 20 30 CGEDLO N#Cc1cccc(Cl)c1NCCCCn1cc[nH+]c1 ZINC000540906016 376401770 /nfs/dbraw/zinc/40/17/70/376401770.db2.gz VDRSTUCGOFGGBP-UHFFFAOYSA-N 1 2 274.755 3.300 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)n1 ZINC000230638021 376523648 /nfs/dbraw/zinc/52/36/48/376523648.db2.gz UYTWJGAIGFFFAX-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1nccs1 ZINC000230627661 376523858 /nfs/dbraw/zinc/52/38/58/376523858.db2.gz ZGQCDQCTNZOAET-GFCCVEGCSA-N 1 2 275.352 3.395 20 30 CGEDLO C=CCOCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000339167710 376721260 /nfs/dbraw/zinc/72/12/60/376721260.db2.gz BLDLGDGKNGONSX-HNNXBMFYSA-N 1 2 285.309 3.038 20 30 CGEDLO C=CCOCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000339167710 376721263 /nfs/dbraw/zinc/72/12/63/376721263.db2.gz BLDLGDGKNGONSX-HNNXBMFYSA-N 1 2 285.309 3.038 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1cccc(F)c1Cl ZINC000339137092 376701496 /nfs/dbraw/zinc/70/14/96/376701496.db2.gz ZVSKQCBFODUXKZ-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1cccc(F)c1Cl ZINC000339137092 376701500 /nfs/dbraw/zinc/70/15/00/376701500.db2.gz ZVSKQCBFODUXKZ-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO CCc1ccc(CNc2cc(CC#N)cc[nH+]2)s1 ZINC000545220271 376800831 /nfs/dbraw/zinc/80/08/31/376800831.db2.gz QCEFZILURSXBGJ-UHFFFAOYSA-N 1 2 257.362 3.384 20 30 CGEDLO COc1cc(C#N)ccc1NCc1cn2c(cccc2C)[nH+]1 ZINC000545293869 376810210 /nfs/dbraw/zinc/81/02/10/376810210.db2.gz JKDYWQAVXHVZBY-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO CC#CC[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000555759052 376860372 /nfs/dbraw/zinc/86/03/72/376860372.db2.gz FCIZBDKYAJGHJR-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000555759052 376860382 /nfs/dbraw/zinc/86/03/82/376860382.db2.gz FCIZBDKYAJGHJR-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO N#CCC1(CNc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000562535062 377328157 /nfs/dbraw/zinc/32/81/57/377328157.db2.gz SCAYOWGPPNHBPI-UHFFFAOYSA-N 1 2 277.331 3.217 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1c(F)cccc1F ZINC000562047206 377271074 /nfs/dbraw/zinc/27/10/74/377271074.db2.gz IFKVXWDRPYVYDR-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO CC(C)(CCC#N)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000340884414 377302962 /nfs/dbraw/zinc/30/29/62/377302962.db2.gz BZHVAJYONFMGEB-UHFFFAOYSA-N 1 2 287.411 3.209 20 30 CGEDLO CC(C)(CCC#N)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000340884414 377302970 /nfs/dbraw/zinc/30/29/70/377302970.db2.gz BZHVAJYONFMGEB-UHFFFAOYSA-N 1 2 287.411 3.209 20 30 CGEDLO N#Cc1cccc(C[N@H+](Cc2ccccn2)C2CC2)c1F ZINC000341097050 377394765 /nfs/dbraw/zinc/39/47/65/377394765.db2.gz BAKJTIILOLSPPU-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1F ZINC000341097050 377394774 /nfs/dbraw/zinc/39/47/74/377394774.db2.gz BAKJTIILOLSPPU-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248984304 377438304 /nfs/dbraw/zinc/43/83/04/377438304.db2.gz JPOGTRRIIMEWIL-CHWSQXEVSA-N 1 2 289.329 3.198 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000248984304 377438310 /nfs/dbraw/zinc/43/83/10/377438310.db2.gz JPOGTRRIIMEWIL-CHWSQXEVSA-N 1 2 289.329 3.198 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000566863754 377501178 /nfs/dbraw/zinc/50/11/78/377501178.db2.gz IAMQWBDHAQIZRT-ZDUSSCGKSA-N 1 2 296.292 3.219 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000566429400 377497293 /nfs/dbraw/zinc/49/72/93/377497293.db2.gz VAQYFXKTHDGTHA-DGCLKSJQSA-N 1 2 293.798 3.257 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000570580294 377537872 /nfs/dbraw/zinc/53/78/72/377537872.db2.gz RQFXVAWIWJHCHG-AWEZNQCLSA-N 1 2 280.293 3.339 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000249917589 377542917 /nfs/dbraw/zinc/54/29/17/377542917.db2.gz XYASIRPGJTZDQM-LSDHHAIUSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000249917589 377542926 /nfs/dbraw/zinc/54/29/26/377542926.db2.gz XYASIRPGJTZDQM-LSDHHAIUSA-N 1 2 287.407 3.112 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(-c2ccccc2F)n1)C1CC1 ZINC000573431409 377556275 /nfs/dbraw/zinc/55/62/75/377556275.db2.gz RWXZGGMLGPOUOC-UHFFFAOYSA-N 1 2 271.339 3.162 20 30 CGEDLO C=CC[N@H+](Cc1ccn(-c2ccccc2F)n1)C1CC1 ZINC000573431409 377556278 /nfs/dbraw/zinc/55/62/78/377556278.db2.gz RWXZGGMLGPOUOC-UHFFFAOYSA-N 1 2 271.339 3.162 20 30 CGEDLO C[N@H+](Cc1ccc(Br)s1)CC(C)(C)C#N ZINC000258994700 377801788 /nfs/dbraw/zinc/80/17/88/377801788.db2.gz YATYIMZNKXIOIP-UHFFFAOYSA-N 1 2 287.226 3.492 20 30 CGEDLO C[N@@H+](Cc1ccc(Br)s1)CC(C)(C)C#N ZINC000258994700 377801793 /nfs/dbraw/zinc/80/17/93/377801793.db2.gz YATYIMZNKXIOIP-UHFFFAOYSA-N 1 2 287.226 3.492 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(-c2ccccc2)no1)CC1CC1 ZINC000266887183 378028327 /nfs/dbraw/zinc/02/83/27/378028327.db2.gz BQHAKZUIWBJSGH-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO N#CCC[N@H+](Cc1cc(-c2ccccc2)no1)CC1CC1 ZINC000266887183 378028334 /nfs/dbraw/zinc/02/83/34/378028334.db2.gz BQHAKZUIWBJSGH-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO CC[N@H+](CCC#N)Cc1csc(Br)c1 ZINC000267094787 378031369 /nfs/dbraw/zinc/03/13/69/378031369.db2.gz RHJJEDLSVIONKE-UHFFFAOYSA-N 1 2 273.199 3.246 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1csc(Br)c1 ZINC000267094787 378031374 /nfs/dbraw/zinc/03/13/74/378031374.db2.gz RHJJEDLSVIONKE-UHFFFAOYSA-N 1 2 273.199 3.246 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000269644946 378248417 /nfs/dbraw/zinc/24/84/17/378248417.db2.gz OYTRVNMCQSPUMR-CQSZACIVSA-N 1 2 275.783 3.463 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000269644946 378248424 /nfs/dbraw/zinc/24/84/24/378248424.db2.gz OYTRVNMCQSPUMR-CQSZACIVSA-N 1 2 275.783 3.463 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270357090 378340053 /nfs/dbraw/zinc/34/00/53/378340053.db2.gz XECOLAPIACYEMD-NOZJJQNGSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270357090 378340057 /nfs/dbraw/zinc/34/00/57/378340057.db2.gz XECOLAPIACYEMD-NOZJJQNGSA-N 1 2 287.190 3.118 20 30 CGEDLO Cn1cc([C@@H]2C[N@@H+]([C@@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505940 378401634 /nfs/dbraw/zinc/40/16/34/378401634.db2.gz XWNOAKLXQNUBQZ-IRXDYDNUSA-N 1 2 294.402 3.110 20 30 CGEDLO Cn1cc([C@@H]2C[N@H+]([C@@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505940 378401641 /nfs/dbraw/zinc/40/16/41/378401641.db2.gz XWNOAKLXQNUBQZ-IRXDYDNUSA-N 1 2 294.402 3.110 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000271292673 378489241 /nfs/dbraw/zinc/48/92/41/378489241.db2.gz GFYAPYRPTAGYQU-BPGDOXJDSA-N 1 2 291.391 3.413 20 30 CGEDLO CN(C)c1[nH+]cccc1CNc1cc(Cl)ccc1C#N ZINC000346662213 378666767 /nfs/dbraw/zinc/66/67/67/378666767.db2.gz XATGXCIQOFAOQJ-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO C=C1CC[NH+](Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000346959378 378698548 /nfs/dbraw/zinc/69/85/48/378698548.db2.gz IMVCZQFTUTWFAT-GFCCVEGCSA-N 1 2 266.410 3.393 20 30 CGEDLO Cn1ccc([C@H]([NH2+]CCCC#N)c2ccc(Cl)cc2)n1 ZINC000349724194 379360004 /nfs/dbraw/zinc/36/00/04/379360004.db2.gz SXCJOWKEWJSYEF-OAHLLOKOSA-N 1 2 288.782 3.056 20 30 CGEDLO CCCn1ncnc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000279458771 379437801 /nfs/dbraw/zinc/43/78/01/379437801.db2.gz MNTKUWOISJJPRN-AWEZNQCLSA-N 1 2 297.406 3.143 20 30 CGEDLO CCCn1ncnc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000279458771 379437812 /nfs/dbraw/zinc/43/78/12/379437812.db2.gz MNTKUWOISJJPRN-AWEZNQCLSA-N 1 2 297.406 3.143 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1nccn1-c1ccccc1 ZINC000377397580 379671600 /nfs/dbraw/zinc/67/16/00/379671600.db2.gz JQHRXBKGNYZXBU-ZDUSSCGKSA-N 1 2 292.342 3.188 20 30 CGEDLO C=C(C)CN(C)C(=O)CCn1c2ccccc2[nH+]c1CCC ZINC000351527941 379727173 /nfs/dbraw/zinc/72/71/73/379727173.db2.gz BBMDKTCIIQUWCY-UHFFFAOYSA-N 1 2 299.418 3.413 20 30 CGEDLO C=C(C)CCc1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000351618679 379731525 /nfs/dbraw/zinc/73/15/25/379731525.db2.gz BTEKATFADKGYHQ-UHFFFAOYSA-N 1 2 294.358 3.490 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(C#N)o1 ZINC000352413372 379803415 /nfs/dbraw/zinc/80/34/15/379803415.db2.gz OIBIVEWAMWOMJL-UHFFFAOYSA-N 1 2 292.298 3.102 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000281335440 379829410 /nfs/dbraw/zinc/82/94/10/379829410.db2.gz LPFJRHUOXDBGKK-OLZOCXBDSA-N 1 2 276.384 3.001 20 30 CGEDLO CC[C@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H](CC)O1 ZINC000398354141 379929647 /nfs/dbraw/zinc/92/96/47/379929647.db2.gz ATKLGQFXWUQQBW-HOTGVXAUSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3nccs3)CCCC2)n1 ZINC000352809680 379973345 /nfs/dbraw/zinc/97/33/45/379973345.db2.gz IHMIPZWUAHVEOS-UHFFFAOYSA-N 1 2 290.417 3.030 20 30 CGEDLO CC[C@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H](CC)O1 ZINC000398518772 379931126 /nfs/dbraw/zinc/93/11/26/379931126.db2.gz LMVWQGQGXMHWLX-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)(C)C)cs1 ZINC000411287380 380139876 /nfs/dbraw/zinc/13/98/76/380139876.db2.gz YTCASKFHBAJWHX-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)(C)C)cs1 ZINC000411287380 380139882 /nfs/dbraw/zinc/13/98/82/380139882.db2.gz YTCASKFHBAJWHX-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000268173394 190383224 /nfs/dbraw/zinc/38/32/24/190383224.db2.gz JQABEPRWGXLTRR-UHFFFAOYSA-N 1 2 283.375 3.027 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1nnc(C)o1 ZINC000411136185 380129757 /nfs/dbraw/zinc/12/97/57/380129757.db2.gz MQQNFNRYIFMVPL-SNVBAGLBSA-N 1 2 263.366 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1nnc(C)o1 ZINC000411136185 380129763 /nfs/dbraw/zinc/12/97/63/380129763.db2.gz MQQNFNRYIFMVPL-SNVBAGLBSA-N 1 2 263.366 3.189 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000411140173 380130710 /nfs/dbraw/zinc/13/07/10/380130710.db2.gz SPKDDBKQYKJXOG-GFCCVEGCSA-N 1 2 289.404 3.301 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000411140173 380130720 /nfs/dbraw/zinc/13/07/20/380130720.db2.gz SPKDDBKQYKJXOG-GFCCVEGCSA-N 1 2 289.404 3.301 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411183123 380134568 /nfs/dbraw/zinc/13/45/68/380134568.db2.gz IUHBIJJTYRNVAO-UONOGXRCSA-N 1 2 292.398 3.117 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411183123 380134571 /nfs/dbraw/zinc/13/45/71/380134571.db2.gz IUHBIJJTYRNVAO-UONOGXRCSA-N 1 2 292.398 3.117 20 30 CGEDLO CSc1ccc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000354019396 380282205 /nfs/dbraw/zinc/28/22/05/380282205.db2.gz XZHVULTVPWSXCS-UHFFFAOYSA-N 1 2 254.424 3.452 20 30 CGEDLO CSc1ccc(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000354019396 380282209 /nfs/dbraw/zinc/28/22/09/380282209.db2.gz XZHVULTVPWSXCS-UHFFFAOYSA-N 1 2 254.424 3.452 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000359872115 381378617 /nfs/dbraw/zinc/37/86/17/381378617.db2.gz ISIKAINYKPICAC-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000359872115 381378620 /nfs/dbraw/zinc/37/86/20/381378620.db2.gz ISIKAINYKPICAC-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO Cc1occc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000334836941 207162388 /nfs/dbraw/zinc/16/23/88/207162388.db2.gz PMOYPSSGYWXDRH-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1occc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000334836941 207162393 /nfs/dbraw/zinc/16/23/93/207162393.db2.gz PMOYPSSGYWXDRH-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(-c2ccncc2)ccc1OC ZINC000360823365 381628303 /nfs/dbraw/zinc/62/83/03/381628303.db2.gz VEDGJAJIKDKUFZ-UHFFFAOYSA-N 1 2 295.386 3.493 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(-c2ccncc2)ccc1OC ZINC000360823365 381628309 /nfs/dbraw/zinc/62/83/09/381628309.db2.gz VEDGJAJIKDKUFZ-UHFFFAOYSA-N 1 2 295.386 3.493 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000361550644 381796096 /nfs/dbraw/zinc/79/60/96/381796096.db2.gz GBCKWAVPLQYNOD-CQSZACIVSA-N 1 2 286.423 3.050 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000361550644 381796100 /nfs/dbraw/zinc/79/61/00/381796100.db2.gz GBCKWAVPLQYNOD-CQSZACIVSA-N 1 2 286.423 3.050 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1ccccc1C(C)(C)C ZINC000361593461 381825073 /nfs/dbraw/zinc/82/50/73/381825073.db2.gz IEKUPEPAHHEBQM-UHFFFAOYSA-N 1 2 260.381 3.208 20 30 CGEDLO C[N@H+](CCC#N)CCOc1ccccc1C(C)(C)C ZINC000361593461 381825077 /nfs/dbraw/zinc/82/50/77/381825077.db2.gz IEKUPEPAHHEBQM-UHFFFAOYSA-N 1 2 260.381 3.208 20 30 CGEDLO CC(C)c1nc(NCC2(CC#N)CC2)cc(C(C)(C)C)[nH+]1 ZINC000362359756 381954976 /nfs/dbraw/zinc/95/49/76/381954976.db2.gz PNUAPCCRMBJZFE-UHFFFAOYSA-N 1 2 286.423 3.425 20 30 CGEDLO C[N@H+](CCOCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000362455017 382000286 /nfs/dbraw/zinc/00/02/86/382000286.db2.gz RJRCHAHQBOBBDH-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO C[N@@H+](CCOCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000362455017 382000292 /nfs/dbraw/zinc/00/02/92/382000292.db2.gz RJRCHAHQBOBBDH-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000362899862 382141160 /nfs/dbraw/zinc/14/11/60/382141160.db2.gz DYYAENQAFDOUIF-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO N#CCCC[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000575072833 335062227 /nfs/dbraw/zinc/06/22/27/335062227.db2.gz GQEOLHXJBPHWOO-OAHLLOKOSA-N 1 2 296.374 3.472 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093090794 392234321 /nfs/dbraw/zinc/23/43/21/392234321.db2.gz QDNYRVTUPJQINQ-QMMMGPOBSA-N 1 2 273.163 3.433 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093090794 392234324 /nfs/dbraw/zinc/23/43/24/392234324.db2.gz QDNYRVTUPJQINQ-QMMMGPOBSA-N 1 2 273.163 3.433 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1Br ZINC000093793088 392239390 /nfs/dbraw/zinc/23/93/90/392239390.db2.gz MDBSKBZWFQADHX-LLVKDONJSA-N 1 2 297.196 3.062 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1Br ZINC000093793088 392239392 /nfs/dbraw/zinc/23/93/92/392239392.db2.gz MDBSKBZWFQADHX-LLVKDONJSA-N 1 2 297.196 3.062 20 30 CGEDLO CCOC(=O)c1ccc(C[N@H+](CCC#N)CCC(C)C)o1 ZINC000093100932 392233849 /nfs/dbraw/zinc/23/38/49/392233849.db2.gz GTEASGJVKKHAHU-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCOC(=O)c1ccc(C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000093100932 392233852 /nfs/dbraw/zinc/23/38/52/392233852.db2.gz GTEASGJVKKHAHU-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000284825005 392315945 /nfs/dbraw/zinc/31/59/45/392315945.db2.gz AJLOVADBDIAIDP-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000284825005 392315950 /nfs/dbraw/zinc/31/59/50/392315950.db2.gz AJLOVADBDIAIDP-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C=CC[C@@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000282857724 392297342 /nfs/dbraw/zinc/29/73/42/392297342.db2.gz SRNLLOHKFRRJHL-NPQIQWPPSA-N 1 2 273.380 3.016 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000289216224 392417419 /nfs/dbraw/zinc/41/74/19/392417419.db2.gz TVAXWNCJUGKCIP-GFCCVEGCSA-N 1 2 295.346 3.387 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000289494049 392422891 /nfs/dbraw/zinc/42/28/91/392422891.db2.gz CSLYGOIYIKVPKH-KRWDZBQOSA-N 1 2 283.396 3.303 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000289494049 392422896 /nfs/dbraw/zinc/42/28/96/392422896.db2.gz CSLYGOIYIKVPKH-KRWDZBQOSA-N 1 2 283.396 3.303 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151344369 392485344 /nfs/dbraw/zinc/48/53/44/392485344.db2.gz FVFBJLDHQOKPLL-OAHLLOKOSA-N 1 2 291.439 3.312 20 30 CGEDLO N#CCCN(Cc1[nH+]ccn1Cc1ccccc1)CC1CC1 ZINC000174697223 392644888 /nfs/dbraw/zinc/64/48/88/392644888.db2.gz NXTJTUDSYDAONB-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncnn1CC(C)C ZINC000182697731 392748027 /nfs/dbraw/zinc/74/80/27/392748027.db2.gz LDHYYBLUCREMNH-UHFFFAOYSA-N 1 2 298.434 3.165 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncnn1CC(C)C ZINC000182697731 392748029 /nfs/dbraw/zinc/74/80/29/392748029.db2.gz LDHYYBLUCREMNH-UHFFFAOYSA-N 1 2 298.434 3.165 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@]3(C#N)CC34CCCC4)ccc2[nH+]1 ZINC000333054733 392699167 /nfs/dbraw/zinc/69/91/67/392699167.db2.gz AEFSUVVHUDNGHU-QGZVFWFLSA-N 1 2 294.358 3.055 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000186009235 392776381 /nfs/dbraw/zinc/77/63/81/392776381.db2.gz QGLPMUIUZKOAHR-CHWSQXEVSA-N 1 2 261.369 3.066 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459434903 392944005 /nfs/dbraw/zinc/94/40/05/392944005.db2.gz VGTHMLVALPBNLZ-CYBMUJFWSA-N 1 2 271.320 3.007 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459434903 392944009 /nfs/dbraw/zinc/94/40/09/392944009.db2.gz VGTHMLVALPBNLZ-CYBMUJFWSA-N 1 2 271.320 3.007 20 30 CGEDLO COCc1ccc(NCCCc2ccc(C)[nH+]c2)cc1C#N ZINC000529643922 392980630 /nfs/dbraw/zinc/98/06/30/392980630.db2.gz KYPUPQBHDCTFBU-UHFFFAOYSA-N 1 2 295.386 3.453 20 30 CGEDLO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC#N ZINC000411644921 392983861 /nfs/dbraw/zinc/98/38/61/392983861.db2.gz NRTTVQZLKLFKHJ-LBPRGKRZSA-N 1 2 256.271 3.492 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000342856089 393009906 /nfs/dbraw/zinc/00/99/06/393009906.db2.gz BYYWTXLGUSLNBY-GJZGRUSLSA-N 1 2 284.403 3.027 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+]([C@H](C)CCC#N)CCO2)ccc1F ZINC000351322983 393180866 /nfs/dbraw/zinc/18/08/66/393180866.db2.gz DLHAMCSVVFUEQR-CJNGLKHVSA-N 1 2 276.355 3.200 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+]([C@H](C)CCC#N)CCO2)ccc1F ZINC000351322983 393180874 /nfs/dbraw/zinc/18/08/74/393180874.db2.gz DLHAMCSVVFUEQR-CJNGLKHVSA-N 1 2 276.355 3.200 20 30 CGEDLO C=CCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000648912059 393290143 /nfs/dbraw/zinc/29/01/43/393290143.db2.gz CFKZOPVJAZVAED-OAHLLOKOSA-N 1 2 287.407 3.183 20 30 CGEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000614185041 542776741 /nfs/dbraw/zinc/77/67/41/542776741.db2.gz IMQNMJBEFRGLSP-LLVKDONJSA-N 1 2 284.363 3.030 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000666975521 542831631 /nfs/dbraw/zinc/83/16/31/542831631.db2.gz QWFWMWDXBGOYMM-ZDUSSCGKSA-N 1 2 284.363 3.154 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)cc1 ZINC000671764785 543187718 /nfs/dbraw/zinc/18/77/18/543187718.db2.gz OAUAYRSKIJYYJQ-LBPRGKRZSA-N 1 2 271.364 3.134 20 30 CGEDLO C=CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000338565723 397683800 /nfs/dbraw/zinc/68/38/00/397683800.db2.gz CWNPZKXDGVQJDR-CQSZACIVSA-N 1 2 268.364 3.185 20 30 CGEDLO C=CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000338565723 397683802 /nfs/dbraw/zinc/68/38/02/397683802.db2.gz CWNPZKXDGVQJDR-CQSZACIVSA-N 1 2 268.364 3.185 20 30 CGEDLO C[N@H+](CC1(C#N)CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000342160050 397684114 /nfs/dbraw/zinc/68/41/14/397684114.db2.gz HWVMPMMLBKIMJL-SFHVURJKSA-N 1 2 282.387 3.261 20 30 CGEDLO C[N@@H+](CC1(C#N)CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC000342160050 397684117 /nfs/dbraw/zinc/68/41/17/397684117.db2.gz HWVMPMMLBKIMJL-SFHVURJKSA-N 1 2 282.387 3.261 20 30 CGEDLO FC1(F)CC2(C[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000677731593 543461877 /nfs/dbraw/zinc/46/18/77/543461877.db2.gz DKIDDRQIFMXPBY-UHFFFAOYSA-N 1 2 281.733 3.423 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](c2ccccc2)CO1 ZINC000093660651 165332809 /nfs/dbraw/zinc/33/28/09/165332809.db2.gz QMKLCXWDUHWNIC-GUYCJALGSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](c2ccccc2)CO1 ZINC000093660651 165332812 /nfs/dbraw/zinc/33/28/12/165332812.db2.gz QMKLCXWDUHWNIC-GUYCJALGSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000127708316 287294271 /nfs/dbraw/zinc/29/42/71/287294271.db2.gz XAEZFEYTVKEDCJ-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000127708316 287294273 /nfs/dbraw/zinc/29/42/73/287294273.db2.gz XAEZFEYTVKEDCJ-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO FC(F)O[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000679677024 543655867 /nfs/dbraw/zinc/65/58/67/543655867.db2.gz UVWXUOIUVKTPSN-ZDUSSCGKSA-N 1 2 299.748 3.395 20 30 CGEDLO FC(F)O[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000679677024 543655869 /nfs/dbraw/zinc/65/58/69/543655869.db2.gz UVWXUOIUVKTPSN-ZDUSSCGKSA-N 1 2 299.748 3.395 20 30 CGEDLO N#Cc1cccc(Cn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000131325787 287376306 /nfs/dbraw/zinc/37/63/06/287376306.db2.gz SCLIVIGPZCLVGF-UHFFFAOYSA-N 1 2 269.254 3.234 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000683033403 543891537 /nfs/dbraw/zinc/89/15/37/543891537.db2.gz DEXJFZHTVBYIIR-GFCCVEGCSA-N 1 2 270.351 3.467 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000683033403 543891541 /nfs/dbraw/zinc/89/15/41/543891541.db2.gz DEXJFZHTVBYIIR-GFCCVEGCSA-N 1 2 270.351 3.467 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000684764371 544027403 /nfs/dbraw/zinc/02/74/03/544027403.db2.gz LVLUUBBAJCQVEQ-TZMCWYRMSA-N 1 2 275.396 3.167 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000655054944 419017218 /nfs/dbraw/zinc/01/72/18/419017218.db2.gz PZBKHIHKAFIFKF-ZDUSSCGKSA-N 1 2 283.375 3.346 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000655054944 419017220 /nfs/dbraw/zinc/01/72/20/419017220.db2.gz PZBKHIHKAFIFKF-ZDUSSCGKSA-N 1 2 283.375 3.346 20 30 CGEDLO C=CCC1(NC(=O)N[C@H](C)c2[nH+]ccn2CC)CCCC1 ZINC000665045023 419045194 /nfs/dbraw/zinc/04/51/94/419045194.db2.gz AZOMGYGKVKFPET-CYBMUJFWSA-N 1 2 290.411 3.152 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]c2ccc(F)cc2n1C ZINC000664570930 418980491 /nfs/dbraw/zinc/98/04/91/418980491.db2.gz BBAHMEXVXNFRQY-BETUJISGSA-N 1 2 271.339 3.400 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000331415133 228097922 /nfs/dbraw/zinc/09/79/22/228097922.db2.gz QFQYCJUKTAYNLM-JQWIXIFHSA-N 1 2 273.361 3.185 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)CC(C)C)c1OC ZINC000746153119 572857330 /nfs/dbraw/zinc/85/73/30/572857330.db2.gz QGCTVZCTFGXNLY-UHFFFAOYSA-N 1 2 276.380 3.075 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000297962766 260140001 /nfs/dbraw/zinc/14/00/01/260140001.db2.gz UPNAKHSMEGHDKC-CYBMUJFWSA-N 1 2 299.374 3.480 20 30 CGEDLO N#CCN(Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000156691061 261129541 /nfs/dbraw/zinc/12/95/41/261129541.db2.gz QPTQYECUGHBTAG-UHFFFAOYSA-N 1 2 280.375 3.140 20 30 CGEDLO N#CCCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000104724198 261300848 /nfs/dbraw/zinc/30/08/48/261300848.db2.gz AMWGOPHPJPSIFP-UHFFFAOYSA-N 1 2 273.767 3.483 20 30 CGEDLO N#CCCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000104724198 261300850 /nfs/dbraw/zinc/30/08/50/261300850.db2.gz AMWGOPHPJPSIFP-UHFFFAOYSA-N 1 2 273.767 3.483 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C1CCC(O)(c2cccnc2)CC1 ZINC000184531633 262022158 /nfs/dbraw/zinc/02/21/58/262022158.db2.gz DJDYLFUHYZIYKN-UDWIEESQSA-N 1 2 296.370 3.037 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(Br)c1OC ZINC000187396034 262135166 /nfs/dbraw/zinc/13/51/66/262135166.db2.gz JZUNONUSLDYACT-LLVKDONJSA-N 1 2 297.196 3.240 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000365443042 262365541 /nfs/dbraw/zinc/36/55/41/262365541.db2.gz MFMTXTUUYAJNGR-AWEZNQCLSA-N 1 2 276.380 3.373 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000365443042 262365543 /nfs/dbraw/zinc/36/55/43/262365543.db2.gz MFMTXTUUYAJNGR-AWEZNQCLSA-N 1 2 276.380 3.373 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000272525721 263005742 /nfs/dbraw/zinc/00/57/42/263005742.db2.gz HXOUFPDIFPPAEH-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CCO[C@@H](C)C2)c1 ZINC000273314200 263015192 /nfs/dbraw/zinc/01/51/92/263015192.db2.gz CTMDQETYNRTFHN-VYBPFTPOSA-N 1 2 277.364 3.025 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000277417355 263041009 /nfs/dbraw/zinc/04/10/09/263041009.db2.gz OYTFIOFMGJCIRP-ZFSZNTNNSA-N 1 2 277.364 3.025 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000278653975 263049294 /nfs/dbraw/zinc/04/92/94/263049294.db2.gz PZSWIALCVKJBLH-DVOMOZLQSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000278653975 263049295 /nfs/dbraw/zinc/04/92/95/263049295.db2.gz PZSWIALCVKJBLH-DVOMOZLQSA-N 1 2 290.794 3.406 20 30 CGEDLO CCc1cc(N)nc(SCCCCC(C)(C)C#N)[nH+]1 ZINC000279105822 263053064 /nfs/dbraw/zinc/05/30/64/263053064.db2.gz QKEKGEAUGFDQIR-UHFFFAOYSA-N 1 2 278.425 3.433 20 30 CGEDLO CCC[N@H+](CC#N)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282881931 263079283 /nfs/dbraw/zinc/07/92/83/263079283.db2.gz WTIRTJSFBCRCLG-UHFFFAOYSA-N 1 2 282.391 3.131 20 30 CGEDLO CCC[N@@H+](CC#N)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282881931 263079284 /nfs/dbraw/zinc/07/92/84/263079284.db2.gz WTIRTJSFBCRCLG-UHFFFAOYSA-N 1 2 282.391 3.131 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290387971 263116461 /nfs/dbraw/zinc/11/64/61/263116461.db2.gz JDEQBUYUQWZYPL-VIFPVBQESA-N 1 2 272.270 3.002 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290387971 263116462 /nfs/dbraw/zinc/11/64/62/263116462.db2.gz JDEQBUYUQWZYPL-VIFPVBQESA-N 1 2 272.270 3.002 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccccc1F ZINC000299158246 263232321 /nfs/dbraw/zinc/23/23/21/263232321.db2.gz JJSFUZUZXXBSBH-NSHDSACASA-N 1 2 252.358 3.009 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccccc1F ZINC000299158246 263232323 /nfs/dbraw/zinc/23/23/23/263232323.db2.gz JJSFUZUZXXBSBH-NSHDSACASA-N 1 2 252.358 3.009 20 30 CGEDLO C=CC[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121368005 263293758 /nfs/dbraw/zinc/29/37/58/263293758.db2.gz IZFICZGKFJLBQG-UHFFFAOYSA-N 1 2 289.404 3.295 20 30 CGEDLO C=CC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121368005 263293760 /nfs/dbraw/zinc/29/37/60/263293760.db2.gz IZFICZGKFJLBQG-UHFFFAOYSA-N 1 2 289.404 3.295 20 30 CGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000341978532 263370332 /nfs/dbraw/zinc/37/03/32/263370332.db2.gz NOGAKIJDFSEWNJ-GFCCVEGCSA-N 1 2 294.345 3.278 20 30 CGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)c(OC)c1 ZINC000343261862 264254591 /nfs/dbraw/zinc/25/45/91/264254591.db2.gz TYDOPUDQZGETIR-OAHLLOKOSA-N 1 2 286.375 3.144 20 30 CGEDLO COc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CC2)c(OC)c1 ZINC000343261862 264254594 /nfs/dbraw/zinc/25/45/94/264254594.db2.gz TYDOPUDQZGETIR-OAHLLOKOSA-N 1 2 286.375 3.144 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130741258 264359920 /nfs/dbraw/zinc/35/99/20/264359920.db2.gz UFAPAUYBHHUUBT-LLVKDONJSA-N 1 2 284.201 3.072 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000130741258 264359922 /nfs/dbraw/zinc/35/99/22/264359922.db2.gz UFAPAUYBHHUUBT-LLVKDONJSA-N 1 2 284.201 3.072 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280345164 264445260 /nfs/dbraw/zinc/44/52/60/264445260.db2.gz SKOXURJBLZDXBK-JSGCOSHPSA-N 1 2 290.407 3.132 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000357414613 266292664 /nfs/dbraw/zinc/29/26/64/266292664.db2.gz YWFDNHODYIRDKX-KRWDZBQOSA-N 1 2 295.386 3.112 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CC=C)C2CC2)c1C ZINC000357556348 266323465 /nfs/dbraw/zinc/32/34/65/266323465.db2.gz VXABFJDUJHSVMB-UHFFFAOYSA-N 1 2 272.392 3.124 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CC=C)C2CC2)c1C ZINC000357556348 266323468 /nfs/dbraw/zinc/32/34/68/266323468.db2.gz VXABFJDUJHSVMB-UHFFFAOYSA-N 1 2 272.392 3.124 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)nc1)Cc1ccccc1F ZINC000362835894 267052886 /nfs/dbraw/zinc/05/28/86/267052886.db2.gz BPXCKIFDYKNKAO-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)nc1)Cc1ccccc1F ZINC000362835894 267052890 /nfs/dbraw/zinc/05/28/90/267052890.db2.gz BPXCKIFDYKNKAO-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000368491776 267177112 /nfs/dbraw/zinc/17/71/12/267177112.db2.gz XCQQPYIKESYQKH-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000368491776 267177116 /nfs/dbraw/zinc/17/71/16/267177116.db2.gz XCQQPYIKESYQKH-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CCC1 ZINC000418144718 267365712 /nfs/dbraw/zinc/36/57/12/267365712.db2.gz UZDQRSIZVPBCEK-UHFFFAOYSA-N 1 2 287.382 3.209 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000264457862 276878406 /nfs/dbraw/zinc/87/84/06/276878406.db2.gz JOSFBBBTCPYFKG-HNNXBMFYSA-N 1 2 272.392 3.282 20 30 CGEDLO Cc1ccc(C2CCN(c3nccc(C)c3C#N)CC2)c[nH+]1 ZINC000374646923 278799585 /nfs/dbraw/zinc/79/95/85/278799585.db2.gz RGVRDLGGCPTAKZ-UHFFFAOYSA-N 1 2 292.386 3.349 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000334327470 280126694 /nfs/dbraw/zinc/12/66/94/280126694.db2.gz BZWXCEMRLZHLFL-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000334327470 280126696 /nfs/dbraw/zinc/12/66/96/280126696.db2.gz BZWXCEMRLZHLFL-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)nc1 ZINC000555669730 289356204 /nfs/dbraw/zinc/35/62/04/289356204.db2.gz RRIUQWGTPHDTJI-UHFFFAOYSA-N 1 2 299.324 3.396 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)nc1 ZINC000555669730 289356208 /nfs/dbraw/zinc/35/62/08/289356208.db2.gz RRIUQWGTPHDTJI-UHFFFAOYSA-N 1 2 299.324 3.396 20 30 CGEDLO COc1cc(C)[nH+]c(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425367505 533695915 /nfs/dbraw/zinc/69/59/15/533695915.db2.gz TULJUZRXPCKZCU-CQSZACIVSA-N 1 2 295.386 3.463 20 30 CGEDLO N#CCC[N@H+](CCCC1CCOCC1)Cc1ccco1 ZINC000274185976 328209127 /nfs/dbraw/zinc/20/91/27/328209127.db2.gz GWGASCZMDCWHOZ-UHFFFAOYSA-N 1 2 276.380 3.202 20 30 CGEDLO N#CCC[N@@H+](CCCC1CCOCC1)Cc1ccco1 ZINC000274185976 328209128 /nfs/dbraw/zinc/20/91/28/328209128.db2.gz GWGASCZMDCWHOZ-UHFFFAOYSA-N 1 2 276.380 3.202 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000274199149 328209421 /nfs/dbraw/zinc/20/94/21/328209421.db2.gz RHSSZYHLMHASPA-CYBMUJFWSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000274199149 328209422 /nfs/dbraw/zinc/20/94/22/328209422.db2.gz RHSSZYHLMHASPA-CYBMUJFWSA-N 1 2 282.391 3.081 20 30 CGEDLO CCC(O)(CC)CC[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000276355586 328217820 /nfs/dbraw/zinc/21/78/20/328217820.db2.gz JGLLBAIMWULCAW-LDADJPATSA-N 1 2 286.375 3.301 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCCSCC)c1O ZINC000283930170 328245278 /nfs/dbraw/zinc/24/52/78/328245278.db2.gz VRIJBTJQSFKPQW-RVDMUPIBSA-N 1 2 267.394 3.353 20 30 CGEDLO Cc1cc(NCc2ccc([C@@H]3C[C@H]3C)o2)c(C#N)c[nH+]1 ZINC000563706558 322007233 /nfs/dbraw/zinc/00/72/33/322007233.db2.gz OPFJHPWGNNKNLE-QMTHXVAHSA-N 1 2 267.332 3.012 20 30 CGEDLO C=CC(C)(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000294195077 328547256 /nfs/dbraw/zinc/54/72/56/328547256.db2.gz BHZGXYKMIOGBJO-DHZHZOJOSA-N 1 2 298.430 3.056 20 30 CGEDLO CCOc1cc(C[NH2+][C@@H](CC)CC#N)c(F)cc1OC ZINC000529544628 328550762 /nfs/dbraw/zinc/55/07/62/328550762.db2.gz UEEVTCRONHTQDQ-LBPRGKRZSA-N 1 2 280.343 3.015 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000377372997 329013055 /nfs/dbraw/zinc/01/30/55/329013055.db2.gz KGYOKDHWHSFXBP-GDBMZVCRSA-N 1 2 285.416 3.220 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000377372997 329013057 /nfs/dbraw/zinc/01/30/57/329013057.db2.gz KGYOKDHWHSFXBP-GDBMZVCRSA-N 1 2 285.416 3.220 20 30 CGEDLO C=CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000175380830 329165335 /nfs/dbraw/zinc/16/53/35/329165335.db2.gz DAABOSBBQCWFFH-UHFFFAOYSA-N 1 2 273.311 3.306 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1c(C)cc[nH+]c1C)OCC ZINC000425598408 329174664 /nfs/dbraw/zinc/17/46/64/329174664.db2.gz WLAXFULDPOXDQQ-ZDUSSCGKSA-N 1 2 262.353 3.008 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185178868 329267086 /nfs/dbraw/zinc/26/70/86/329267086.db2.gz GCOWKXNQOJNQCQ-HNNXBMFYSA-N 1 2 297.402 3.150 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187289050 329356386 /nfs/dbraw/zinc/35/63/86/329356386.db2.gz NLLOIOPAOFAQLG-HNNXBMFYSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187289050 329356388 /nfs/dbraw/zinc/35/63/88/329356388.db2.gz NLLOIOPAOFAQLG-HNNXBMFYSA-N 1 2 280.318 3.032 20 30 CGEDLO C=CCNC(=O)CSCc1ccc(C(C)C)[nH+]c1C ZINC000419498673 329732324 /nfs/dbraw/zinc/73/23/24/329732324.db2.gz ZPPIULLFYAPTLB-UHFFFAOYSA-N 1 2 278.421 3.049 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cccc2ccoc21)C(=O)OCC ZINC000449654119 330942153 /nfs/dbraw/zinc/94/21/53/330942153.db2.gz DLGREJJLXHBTLR-OAHLLOKOSA-N 1 2 287.359 3.420 20 30 CGEDLO C=CC[C@H](CO)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450444847 330980127 /nfs/dbraw/zinc/98/01/27/330980127.db2.gz ZXFJOXQETZHSMA-GFCCVEGCSA-N 1 2 296.292 3.024 20 30 CGEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451861447 331045188 /nfs/dbraw/zinc/04/51/88/331045188.db2.gz AIMXUMCEMVUCEQ-HNNXBMFYSA-N 1 2 253.349 3.113 20 30 CGEDLO CC#CC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451861447 331045189 /nfs/dbraw/zinc/04/51/89/331045189.db2.gz AIMXUMCEMVUCEQ-HNNXBMFYSA-N 1 2 253.349 3.113 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000489439736 332052760 /nfs/dbraw/zinc/05/27/60/332052760.db2.gz RQVXLZBJXKJCMA-HNNXBMFYSA-N 1 2 282.391 3.023 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000489439736 332052762 /nfs/dbraw/zinc/05/27/62/332052762.db2.gz RQVXLZBJXKJCMA-HNNXBMFYSA-N 1 2 282.391 3.023 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000489489196 332056144 /nfs/dbraw/zinc/05/61/44/332056144.db2.gz YZHRRPXAZLQYSJ-OAHLLOKOSA-N 1 2 283.375 3.201 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1 ZINC000489489196 332056145 /nfs/dbraw/zinc/05/61/45/332056145.db2.gz YZHRRPXAZLQYSJ-OAHLLOKOSA-N 1 2 283.375 3.201 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000491749032 332326129 /nfs/dbraw/zinc/32/61/29/332326129.db2.gz PHVUMCZBYZRPOI-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000491749032 332326131 /nfs/dbraw/zinc/32/61/31/332326131.db2.gz PHVUMCZBYZRPOI-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc([C@H]2CCCO2)s1 ZINC000505848523 332754973 /nfs/dbraw/zinc/75/49/73/332754973.db2.gz USIPUJLGZZYUAW-CYBMUJFWSA-N 1 2 264.394 3.169 20 30 CGEDLO CC#CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175455996 333025354 /nfs/dbraw/zinc/02/53/54/333025354.db2.gz OEWFXMAKSMPBDX-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO CC#CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175455996 333025356 /nfs/dbraw/zinc/02/53/56/333025356.db2.gz OEWFXMAKSMPBDX-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO CCN(CC)c1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c[nH+]1 ZINC000185868193 333150732 /nfs/dbraw/zinc/15/07/32/333150732.db2.gz FOWXMVUJJSTZCF-ZIAGYGMSSA-N 1 2 272.396 3.422 20 30 CGEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC(C)C)c1 ZINC000575867096 335126032 /nfs/dbraw/zinc/12/60/32/335126032.db2.gz QKVVWFPPVNVMJM-OAHLLOKOSA-N 1 2 285.391 3.315 20 30 CGEDLO N#CCC1CC[NH+](Cc2noc(C3CCCCC3)n2)CC1 ZINC000542884531 333847923 /nfs/dbraw/zinc/84/79/23/333847923.db2.gz ZXKPCAKWVAKHER-UHFFFAOYSA-N 1 2 288.395 3.243 20 30 CGEDLO Cc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC000545928641 334007131 /nfs/dbraw/zinc/00/71/31/334007131.db2.gz KVXJJDJQLJJCNE-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO Cc1c[nH+]c(C)nc1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000576885713 335260463 /nfs/dbraw/zinc/26/04/63/335260463.db2.gz FBITZMXISYFRFW-INIZCTEOSA-N 1 2 278.359 3.455 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000578500616 335641579 /nfs/dbraw/zinc/64/15/79/335641579.db2.gz OSVIFZANLPFGAI-MNOVXSKESA-N 1 2 277.331 3.215 20 30 CGEDLO Cc1nc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000367710819 534536785 /nfs/dbraw/zinc/53/67/85/534536785.db2.gz WEGJBPNRWSERFD-GFCCVEGCSA-N 1 2 294.358 3.100 20 30 CGEDLO Cc1nc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000367710819 534536787 /nfs/dbraw/zinc/53/67/87/534536787.db2.gz WEGJBPNRWSERFD-GFCCVEGCSA-N 1 2 294.358 3.100 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCOC(C)(C)C)c(O)c1 ZINC000746682108 572891504 /nfs/dbraw/zinc/89/15/04/572891504.db2.gz PZSITPGCMXXMKD-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000344984394 527034090 /nfs/dbraw/zinc/03/40/90/527034090.db2.gz QSTQQBHNMXMISL-UHFFFAOYSA-N 1 2 255.321 3.041 20 30 CGEDLO CC(C)(C)CN1C(=O)C(C)(C)[NH2+]C12CCC(C)(C#N)CC2 ZINC000331626334 527683751 /nfs/dbraw/zinc/68/37/51/527683751.db2.gz LICDQGXODZAOLE-UHFFFAOYSA-N 1 2 291.439 3.043 20 30 CGEDLO C=C(Br)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729876071 571935079 /nfs/dbraw/zinc/93/50/79/571935079.db2.gz HSPGYYRNLSEBPY-CQSZACIVSA-N 1 2 296.208 3.359 20 30 CGEDLO C=C(Br)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729876071 571935082 /nfs/dbraw/zinc/93/50/82/571935082.db2.gz HSPGYYRNLSEBPY-CQSZACIVSA-N 1 2 296.208 3.359 20 30 CGEDLO CCCOc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731156222 572398212 /nfs/dbraw/zinc/39/82/12/572398212.db2.gz BEIMNGGESDAQTR-BQYQJAHWSA-N 1 2 256.305 3.095 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000743852468 572408367 /nfs/dbraw/zinc/40/83/67/572408367.db2.gz QKSGJGLRAHWUCB-UHFFFAOYSA-N 1 2 298.773 3.454 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000743852468 572408371 /nfs/dbraw/zinc/40/83/71/572408371.db2.gz QKSGJGLRAHWUCB-UHFFFAOYSA-N 1 2 298.773 3.454 20 30 CGEDLO Cc1cc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)ncn1 ZINC000731935345 572438142 /nfs/dbraw/zinc/43/81/42/572438142.db2.gz UQXCVFIFMIIFQM-UHFFFAOYSA-N 1 2 295.390 3.221 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740859637 572461118 /nfs/dbraw/zinc/46/11/18/572461118.db2.gz MEXBNYYJMIPNEN-RYUDHWBXSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740859637 572461124 /nfs/dbraw/zinc/46/11/24/572461124.db2.gz MEXBNYYJMIPNEN-RYUDHWBXSA-N 1 2 292.452 3.165 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000741465019 572500534 /nfs/dbraw/zinc/50/05/34/572500534.db2.gz SCFFNJOWKBUCDQ-GECXBNKPSA-N 1 2 267.328 3.148 20 30 CGEDLO C[C@@H]1CC[C@H](/[NH+]=C\c2ccc(O)c(O)c2O)[C@@H](C)C1 ZINC000733080845 572507090 /nfs/dbraw/zinc/50/70/90/572507090.db2.gz DAIYJDLRBPPLCZ-TZXVRMOQSA-N 1 2 263.337 3.047 20 30 CGEDLO O=C1c2cccc(O)c2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000742435268 572582123 /nfs/dbraw/zinc/58/21/23/572582123.db2.gz SFCRVNFHXPUMSX-ZRDIBKRKSA-N 1 2 290.322 3.252 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2ccc3c(c2)CCC3)cc1 ZINC000734483968 572658369 /nfs/dbraw/zinc/65/83/69/572658369.db2.gz PIIKNOVVCPOFNZ-UHFFFAOYSA-N 1 2 296.370 3.021 20 30 CGEDLO Cc1ccoc1C=NNc1cc[nH+]c2ccccc12 ZINC000743439739 572661224 /nfs/dbraw/zinc/66/12/24/572661224.db2.gz KCBCTDAHYLTTFZ-UHFFFAOYSA-N 1 2 251.289 3.004 20 30 CGEDLO CC(=[NH+]Nc1cccc(F)c1F)c1ccc(N)cc1 ZINC000743442638 572662232 /nfs/dbraw/zinc/66/22/32/572662232.db2.gz BSRWJRJWYMTTES-UHFFFAOYSA-N 1 2 261.275 3.383 20 30 CGEDLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1cccc(C#N)c1 ZINC000743497737 572666662 /nfs/dbraw/zinc/66/66/62/572666662.db2.gz ZOYMXXAQMNERQY-NSHDSACASA-N 1 2 267.332 3.274 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1OCC(F)(F)F ZINC000743852506 572690587 /nfs/dbraw/zinc/69/05/87/572690587.db2.gz TVFJOPFJTBQVTP-UHFFFAOYSA-N 1 2 295.304 3.086 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccccc1OCC(F)(F)F ZINC000743852506 572690589 /nfs/dbraw/zinc/69/05/89/572690589.db2.gz TVFJOPFJTBQVTP-UHFFFAOYSA-N 1 2 295.304 3.086 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)CC(C)C)c1OC ZINC000746153119 572857328 /nfs/dbraw/zinc/85/73/28/572857328.db2.gz QGCTVZCTFGXNLY-UHFFFAOYSA-N 1 2 276.380 3.075 20 30 CGEDLO COc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)cc1C#N ZINC000746711455 572893229 /nfs/dbraw/zinc/89/32/29/572893229.db2.gz WIOKARJLOLGPSF-UHFFFAOYSA-N 1 2 296.374 3.266 20 30 CGEDLO C=CCCCC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000748295701 572972500 /nfs/dbraw/zinc/97/25/00/572972500.db2.gz GIVBMLIWUZYRFE-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1C#N ZINC000749515931 573015156 /nfs/dbraw/zinc/01/51/56/573015156.db2.gz ZEMMUWLCOFVKPV-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1C#N ZINC000749515931 573015161 /nfs/dbraw/zinc/01/51/61/573015161.db2.gz ZEMMUWLCOFVKPV-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000981226182 613373278 /nfs/dbraw/zinc/37/32/78/613373278.db2.gz ZRMIOGSLLCSHSV-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000981226182 613373279 /nfs/dbraw/zinc/37/32/79/613373279.db2.gz ZRMIOGSLLCSHSV-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000981781899 613373312 /nfs/dbraw/zinc/37/33/12/613373312.db2.gz JXFNODJHFFKSDM-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000981781899 613373313 /nfs/dbraw/zinc/37/33/13/613373313.db2.gz JXFNODJHFFKSDM-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000981811285 613373330 /nfs/dbraw/zinc/37/33/30/613373330.db2.gz HCCWGYFMDUTSRA-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000981811285 613373331 /nfs/dbraw/zinc/37/33/31/613373331.db2.gz HCCWGYFMDUTSRA-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000981783164 613373837 /nfs/dbraw/zinc/37/38/37/613373837.db2.gz GTDCDOOOPIJXCB-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000981783164 613373838 /nfs/dbraw/zinc/37/38/38/613373838.db2.gz GTDCDOOOPIJXCB-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989235 613377761 /nfs/dbraw/zinc/37/77/61/613377761.db2.gz AFKYOIJMTOOLNN-SMDDNHRTSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989235 613377762 /nfs/dbraw/zinc/37/77/62/613377762.db2.gz AFKYOIJMTOOLNN-SMDDNHRTSA-N 1 2 298.858 3.002 20 30 CGEDLO C[C@]1([NH2+]Cc2ccc(F)cc2C#N)CCOc2ccccc21 ZINC000933372087 618218692 /nfs/dbraw/zinc/21/86/92/618218692.db2.gz UJWFBQRYXYNCLC-SFHVURJKSA-N 1 2 296.345 3.485 20 30 CGEDLO CCCCCCCCCC(=O)NCc1c[nH+]cn1C ZINC000291361012 618484457 /nfs/dbraw/zinc/48/44/57/618484457.db2.gz YJKNMRAELLRTJZ-UHFFFAOYSA-N 1 2 265.401 3.177 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1nc(C2CC2)n(CC=C)c1=S ZINC000119726225 618561591 /nfs/dbraw/zinc/56/15/91/618561591.db2.gz JIYKVGAOSMIHLX-UHFFFAOYSA-N 1 2 292.452 3.333 20 30 CGEDLO C=CCCC[N@H+](C)Cn1nc(C2CC2)n(CC=C)c1=S ZINC000119726225 618561594 /nfs/dbraw/zinc/56/15/94/618561594.db2.gz JIYKVGAOSMIHLX-UHFFFAOYSA-N 1 2 292.452 3.333 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051401077 618565626 /nfs/dbraw/zinc/56/56/26/618565626.db2.gz SJPSDNXRPTYXBM-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051401077 618565634 /nfs/dbraw/zinc/56/56/34/618565634.db2.gz SJPSDNXRPTYXBM-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccco1)c1cccc(C#N)c1O ZINC000924555639 618826577 /nfs/dbraw/zinc/82/65/77/618826577.db2.gz OPKZCULRLKCCHZ-OAHLLOKOSA-N 1 2 270.332 3.140 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)C2 ZINC000180314865 618873821 /nfs/dbraw/zinc/87/38/21/618873821.db2.gz CVDSIXYLEQJDIR-JLHYYAGUSA-N 1 2 290.322 3.165 20 30 CGEDLO COc1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)on1 ZINC000925601801 619081286 /nfs/dbraw/zinc/08/12/86/619081286.db2.gz OWVUUFPAXKHLMJ-GXTWGEPZSA-N 1 2 285.347 3.379 20 30 CGEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccccc2)cs1 ZINC000193807724 619133543 /nfs/dbraw/zinc/13/35/43/619133543.db2.gz GAGPIEQKKJPEIV-UHFFFAOYSA-N 1 2 289.404 3.278 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000893544839 619217804 /nfs/dbraw/zinc/21/78/04/619217804.db2.gz NVZSCYIMFIJARV-SNVBAGLBSA-N 1 2 295.408 3.344 20 30 CGEDLO N#C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151267 619304335 /nfs/dbraw/zinc/30/43/35/619304335.db2.gz XGMNDSLUOSKERJ-CVEARBPZSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151267 619304336 /nfs/dbraw/zinc/30/43/36/619304336.db2.gz XGMNDSLUOSKERJ-CVEARBPZSA-N 1 2 276.424 3.494 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(OC)c(OC)c1F ZINC000893872923 619325603 /nfs/dbraw/zinc/32/56/03/619325603.db2.gz YZKXAHZKRUVXLO-UHFFFAOYSA-N 1 2 265.328 3.017 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nc(C(C)(C)C)no1 ZINC000893973932 619343144 /nfs/dbraw/zinc/34/31/44/619343144.db2.gz ZVUDNMYUSBBGIV-WDEREUQCSA-N 1 2 278.400 3.346 20 30 CGEDLO Cc1noc2ncc(C[N@H+](CCC#N)CC(C)(C)C)cc12 ZINC000894003326 619350055 /nfs/dbraw/zinc/35/00/55/619350055.db2.gz IZLFQDUKPDWRJN-UHFFFAOYSA-N 1 2 286.379 3.293 20 30 CGEDLO Cc1noc2ncc(C[N@@H+](CCC#N)CC(C)(C)C)cc12 ZINC000894003326 619350057 /nfs/dbraw/zinc/35/00/57/619350057.db2.gz IZLFQDUKPDWRJN-UHFFFAOYSA-N 1 2 286.379 3.293 20 30 CGEDLO Cc1ncoc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000894085358 619366436 /nfs/dbraw/zinc/36/64/36/619366436.db2.gz ORDJJUJVAUKKKN-CVEARBPZSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncoc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000894085358 619366439 /nfs/dbraw/zinc/36/64/39/619366439.db2.gz ORDJJUJVAUKKKN-CVEARBPZSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(Cl)c(Cl)c1 ZINC000814796717 619423957 /nfs/dbraw/zinc/42/39/57/619423957.db2.gz MSMRLJPHJKQMET-UHFFFAOYSA-N 1 2 298.177 3.064 20 30 CGEDLO C[C@@H](CC(=O)OCCCCC1(C#N)CCC1)n1cc[nH+]c1 ZINC000909412662 619655650 /nfs/dbraw/zinc/65/56/50/619655650.db2.gz MUCJSIHUVSYANZ-AWEZNQCLSA-N 1 2 289.379 3.242 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C(=O)OCC ZINC000895597273 619858220 /nfs/dbraw/zinc/85/82/20/619858220.db2.gz HLRJWPJXKGIELL-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896502890 620018511 /nfs/dbraw/zinc/01/85/11/620018511.db2.gz KUASOWJTBWPSFB-AWEZNQCLSA-N 1 2 280.375 3.121 20 30 CGEDLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896502890 620018513 /nfs/dbraw/zinc/01/85/13/620018513.db2.gz KUASOWJTBWPSFB-AWEZNQCLSA-N 1 2 280.375 3.121 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCCC2CCOCC2)c1O ZINC000840704718 620070077 /nfs/dbraw/zinc/07/00/77/620070077.db2.gz AKJRHVYBIJTUCW-QGOAFFKASA-N 1 2 291.391 3.417 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](CCC)C2)c1=S ZINC000121312656 620189783 /nfs/dbraw/zinc/18/97/83/620189783.db2.gz DMSUTKOUQIKUOR-AWEZNQCLSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](CCC)C2)c1=S ZINC000121312656 620189787 /nfs/dbraw/zinc/18/97/87/620189787.db2.gz DMSUTKOUQIKUOR-AWEZNQCLSA-N 1 2 294.468 3.378 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218577 620489306 /nfs/dbraw/zinc/48/93/06/620489306.db2.gz KMHJBPMXTSZZOV-CMPLNLGQSA-N 1 2 264.756 3.218 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\Cc2c(cccc2C)C1=O ZINC000901472535 620897742 /nfs/dbraw/zinc/89/77/42/620897742.db2.gz JISMFVWGCBCFEV-KPKJPENVSA-N 1 2 252.317 3.034 20 30 CGEDLO Cc1cccc2c1[C@@H](C)/C(=C/c1c[nH+]cn1C)C2=O ZINC000901488401 620898229 /nfs/dbraw/zinc/89/82/29/620898229.db2.gz KCPDXVVKSFMPLI-ODYDIQAQSA-N 1 2 252.317 3.112 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2c(C)cc(C)cc2O)[nH+]c1C ZINC000901505460 620904365 /nfs/dbraw/zinc/90/43/65/620904365.db2.gz VFGIUKGENKARMB-AATRIKPKSA-N 1 2 270.332 3.245 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2csc(C(F)(F)F)n2)c1 ZINC000902067468 621135189 /nfs/dbraw/zinc/13/51/89/621135189.db2.gz MKYFUFMFMIGYLV-UHFFFAOYSA-N 1 2 298.293 3.235 20 30 CGEDLO Cc1nc(NCc2cccc(OCCCC#N)c2)cc[nH+]1 ZINC000902124750 621163612 /nfs/dbraw/zinc/16/36/12/621163612.db2.gz JQCJJWGAXSSXBK-UHFFFAOYSA-N 1 2 282.347 3.080 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C(F)F)n(C)c1=S ZINC000902668992 621396321 /nfs/dbraw/zinc/39/63/21/621396321.db2.gz GTKNFWHODAHIEK-UHFFFAOYSA-N 1 2 290.383 3.134 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C(F)F)n(C)c1=S ZINC000902668992 621396324 /nfs/dbraw/zinc/39/63/24/621396324.db2.gz GTKNFWHODAHIEK-UHFFFAOYSA-N 1 2 290.383 3.134 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000903102409 621575773 /nfs/dbraw/zinc/57/57/73/621575773.db2.gz YIRKFGSJLXXOJS-CYBMUJFWSA-N 1 2 260.385 3.170 20 30 CGEDLO COC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000903102053 621576157 /nfs/dbraw/zinc/57/61/57/621576157.db2.gz QTEMOQGHRVEJRK-CYBMUJFWSA-N 1 2 266.772 3.167 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc2ccc(Cl)cc2n1C ZINC000903105202 621577790 /nfs/dbraw/zinc/57/77/90/621577790.db2.gz AEZKUPPECPSVFY-JTQLQIEISA-N 1 2 288.782 3.181 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1cccc(C#N)c1O ZINC000903387294 621726872 /nfs/dbraw/zinc/72/68/72/621726872.db2.gz GQVSFDYGCRBPFU-DOMZBBRYSA-N 1 2 286.375 3.016 20 30 CGEDLO C#CCC1(c2nc(-c3c[nH+]c(N)cc3C)no2)CCCCC1 ZINC000904269229 621895948 /nfs/dbraw/zinc/89/59/48/621895948.db2.gz YOGDGYQNMSLNMM-UHFFFAOYSA-N 1 2 296.374 3.247 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)OC ZINC000905764968 622108503 /nfs/dbraw/zinc/10/85/03/622108503.db2.gz WISIBKCEAMHPKF-IMJJTQAJSA-N 1 2 291.366 3.169 20 30 CGEDLO CCOCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000060803155 623071872 /nfs/dbraw/zinc/07/18/72/623071872.db2.gz HBLXWWUTOFRIDL-SFQUDFHCSA-N 1 2 257.333 3.391 20 30 CGEDLO C=CC1CC[NH+](Cn2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000171890643 623199913 /nfs/dbraw/zinc/19/99/13/623199913.db2.gz DNNIQMFGDYDHBR-UHFFFAOYSA-N 1 2 292.766 3.103 20 30 CGEDLO O=C1c2ccccc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000172586670 623257425 /nfs/dbraw/zinc/25/74/25/623257425.db2.gz SNOYQGOPEYOQGW-RAXLEYEMSA-N 1 2 260.296 3.157 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993662355 624057624 /nfs/dbraw/zinc/05/76/24/624057624.db2.gz YSNUQHSAKYDGBT-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993662355 624057630 /nfs/dbraw/zinc/05/76/30/624057630.db2.gz YSNUQHSAKYDGBT-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CC[N@H+](Cn1c2cc(Cl)ccc2oc1=O)C(C)C ZINC000917481253 624273702 /nfs/dbraw/zinc/27/37/02/624273702.db2.gz FGKXXEBGISLWKF-UHFFFAOYSA-N 1 2 280.755 3.102 20 30 CGEDLO C=CC[N@@H+](Cn1c2cc(Cl)ccc2oc1=O)C(C)C ZINC000917481253 624273703 /nfs/dbraw/zinc/27/37/03/624273703.db2.gz FGKXXEBGISLWKF-UHFFFAOYSA-N 1 2 280.755 3.102 20 30 CGEDLO C(/C=C/c1ccco1)=[NH+]n1cnnc1-c1ccccc1 ZINC000920372964 624484507 /nfs/dbraw/zinc/48/45/07/624484507.db2.gz KNFCSWBJPRALQY-LMGJMYKPSA-N 1 2 264.288 3.085 20 30 CGEDLO Cc1ccccc1CC/[NH+]=C\c1cccc(O)c1O ZINC000920945436 624555827 /nfs/dbraw/zinc/55/58/27/624555827.db2.gz ZAXOLVLNANLKCW-BOPFTXTBSA-N 1 2 255.317 3.068 20 30 CGEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175302289 624628431 /nfs/dbraw/zinc/62/84/31/624628431.db2.gz TZMTTZQWXFKXPX-CYBMUJFWSA-N 1 2 283.213 3.461 20 30 CGEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175302289 624628425 /nfs/dbraw/zinc/62/84/25/624628425.db2.gz TZMTTZQWXFKXPX-CYBMUJFWSA-N 1 2 283.213 3.461 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)[C@@H](C)CC#N)cc2)[nH+]c1C ZINC000921655330 625810164 /nfs/dbraw/zinc/81/01/64/625810164.db2.gz QXPQGFNRLIJZJF-JTQLQIEISA-N 1 2 282.347 3.182 20 30 CGEDLO N#Cc1cc(CNc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000921918678 625930001 /nfs/dbraw/zinc/93/00/01/625930001.db2.gz WKCIQUAAGCLUFF-UHFFFAOYSA-N 1 2 284.388 3.227 20 30 CGEDLO CC(=[NH+]Nc1ccc(F)cc1C)c1csc(N)n1 ZINC000750939111 626370278 /nfs/dbraw/zinc/37/02/78/626370278.db2.gz ULRLDTMHUMAXGJ-UHFFFAOYSA-N 1 2 264.329 3.009 20 30 CGEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1nc2ccccc2n1C ZINC000752727746 626436281 /nfs/dbraw/zinc/43/62/81/626436281.db2.gz RHWIUFFTKBNIBS-UHFFFAOYSA-N 1 2 293.374 3.218 20 30 CGEDLO CCc1ccccc1N[NH+]=Cc1cnc(N(C)C)s1 ZINC000755642527 626633227 /nfs/dbraw/zinc/63/32/27/626633227.db2.gz BSPYNAKVYNAGGK-UHFFFAOYSA-N 1 2 274.393 3.218 20 30 CGEDLO Cc1cccn2c(CN=Nc3ncccc3Cl)c[nH+]c12 ZINC000755653474 626634411 /nfs/dbraw/zinc/63/44/11/626634411.db2.gz AXTBFJIEKKOACS-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO C=C(Cl)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000839602874 626764662 /nfs/dbraw/zinc/76/46/62/626764662.db2.gz LWZLWKIFOFZCLE-QWHCGFSZSA-N 1 2 283.824 3.240 20 30 CGEDLO C=C(Cl)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000839602874 626764665 /nfs/dbraw/zinc/76/46/65/626764665.db2.gz LWZLWKIFOFZCLE-QWHCGFSZSA-N 1 2 283.824 3.240 20 30 CGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1C ZINC000758091176 626826260 /nfs/dbraw/zinc/82/62/60/626826260.db2.gz UURAHGWVTUEFTR-UHFFFAOYSA-N 1 2 284.319 3.322 20 30 CGEDLO Cc1cccc(CNN=C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000764708162 627219375 /nfs/dbraw/zinc/21/93/75/627219375.db2.gz CYSIUIHKQTUVPO-UHFFFAOYSA-N 1 2 294.402 3.136 20 30 CGEDLO C[C@]1(C/[NH+]=C/c2ccccc2O)CCO[C@@H]1C1CC1 ZINC000767339109 627398821 /nfs/dbraw/zinc/39/88/21/627398821.db2.gz SVHRMNPHMYJQOE-ZXYGXNQISA-N 1 2 259.349 3.016 20 30 CGEDLO O=C1c2cc(F)ccc2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000769610926 627569425 /nfs/dbraw/zinc/56/94/25/627569425.db2.gz TXSLXALIUQJZOY-DHZHZOJOSA-N 1 2 294.285 3.132 20 30 CGEDLO N#Cc1cccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)c1 ZINC000770692472 627637975 /nfs/dbraw/zinc/63/79/75/627637975.db2.gz LWYVEPSEIZTCBB-UHFFFAOYSA-N 1 2 299.761 3.453 20 30 CGEDLO Fc1cc(F)c(N=NCc2cccc3[nH+]ccn32)cc1F ZINC000771099867 627682922 /nfs/dbraw/zinc/68/29/22/627682922.db2.gz GNPPAVKZWMYHNB-UHFFFAOYSA-N 1 2 290.248 3.198 20 30 CGEDLO C=CC[N@@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000771640363 627724968 /nfs/dbraw/zinc/72/49/68/627724968.db2.gz FUXAZQYVULKSEE-HNNXBMFYSA-N 1 2 290.794 3.221 20 30 CGEDLO C=CC[N@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000771640363 627724969 /nfs/dbraw/zinc/72/49/69/627724969.db2.gz FUXAZQYVULKSEE-HNNXBMFYSA-N 1 2 290.794 3.221 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCCc2ccccn2)c(O)c1 ZINC000771836157 627735258 /nfs/dbraw/zinc/73/52/58/627735258.db2.gz KRMUGYWFPJKQGG-QGOAFFKASA-N 1 2 284.359 3.238 20 30 CGEDLO C=CC[N@@H+](Cc1cc2c(C)nn(C)c2nc1Cl)C1CC1 ZINC000772380985 627789132 /nfs/dbraw/zinc/78/91/32/627789132.db2.gz HJORDCUKXNWPHW-UHFFFAOYSA-N 1 2 290.798 3.081 20 30 CGEDLO C=CC[N@H+](Cc1cc2c(C)nn(C)c2nc1Cl)C1CC1 ZINC000772380985 627789135 /nfs/dbraw/zinc/78/91/35/627789135.db2.gz HJORDCUKXNWPHW-UHFFFAOYSA-N 1 2 290.798 3.081 20 30 CGEDLO N#Cc1ccc(C=NNc2cc[nH+]c3ccccc23)c(F)c1 ZINC000772842322 627827768 /nfs/dbraw/zinc/82/77/68/627827768.db2.gz OVFAHZYZGQTHCZ-UHFFFAOYSA-N 1 2 290.301 3.113 20 30 CGEDLO C=CC[N@@H+](CC[C@@H](C)c1ccccc1)CC(=O)OCC ZINC000774837869 628036489 /nfs/dbraw/zinc/03/64/89/628036489.db2.gz FMQQZVHUZHKXCK-OAHLLOKOSA-N 1 2 275.392 3.231 20 30 CGEDLO C=CC[N@H+](CC[C@@H](C)c1ccccc1)CC(=O)OCC ZINC000774837869 628036491 /nfs/dbraw/zinc/03/64/91/628036491.db2.gz FMQQZVHUZHKXCK-OAHLLOKOSA-N 1 2 275.392 3.231 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642480 628118424 /nfs/dbraw/zinc/11/84/24/628118424.db2.gz VVMHANZALLRJJK-BONVTDFDSA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642480 628118427 /nfs/dbraw/zinc/11/84/27/628118427.db2.gz VVMHANZALLRJJK-BONVTDFDSA-N 1 2 296.773 3.137 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccoc1 ZINC000778159230 628329595 /nfs/dbraw/zinc/32/95/95/628329595.db2.gz IMIFBNBSHUEQFW-UHFFFAOYSA-N 1 2 275.735 3.235 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000778167790 628330599 /nfs/dbraw/zinc/33/05/99/628330599.db2.gz RXZMIJJKHSVBBV-UHFFFAOYSA-N 1 2 296.414 3.454 20 30 CGEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000778167790 628330601 /nfs/dbraw/zinc/33/06/01/628330601.db2.gz RXZMIJJKHSVBBV-UHFFFAOYSA-N 1 2 296.414 3.454 20 30 CGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC=CCC1 ZINC000778974970 628381151 /nfs/dbraw/zinc/38/11/51/628381151.db2.gz ULXAPLMZDVWWFX-QGOAFFKASA-N 1 2 296.414 3.129 20 30 CGEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC=CCC1 ZINC000778974970 628381152 /nfs/dbraw/zinc/38/11/52/628381152.db2.gz ULXAPLMZDVWWFX-QGOAFFKASA-N 1 2 296.414 3.129 20 30 CGEDLO Oc1ccc2c(c1)CCC2=NNc1cc[nH+]c2ccccc12 ZINC000780225706 628464568 /nfs/dbraw/zinc/46/45/68/628464568.db2.gz VBDKHECHZZLFLW-UHFFFAOYSA-N 1 2 289.338 3.125 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c(F)c1 ZINC000781108893 628537124 /nfs/dbraw/zinc/53/71/24/628537124.db2.gz UTEURRZCWFRKKZ-ALCCZGGFSA-N 1 2 291.285 3.241 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccnc1 ZINC000783696055 628740783 /nfs/dbraw/zinc/74/07/83/628740783.db2.gz DINSZYAPIHRZAX-ARJAWSKDSA-N 1 2 281.340 3.225 20 30 CGEDLO C=CCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000786578554 628949005 /nfs/dbraw/zinc/94/90/05/628949005.db2.gz JVVCWWVHQCDWBT-UHFFFAOYSA-N 1 2 270.170 3.163 20 30 CGEDLO C=CCC[N@H+](C)Cc1cccc(Br)c1O ZINC000786578554 628949008 /nfs/dbraw/zinc/94/90/08/628949008.db2.gz JVVCWWVHQCDWBT-UHFFFAOYSA-N 1 2 270.170 3.163 20 30 CGEDLO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCC#N)o2)cc1 ZINC000787300432 629008055 /nfs/dbraw/zinc/00/80/55/629008055.db2.gz KONXHGJVYLHJSO-UHFFFAOYSA-N 1 2 298.342 3.127 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2cccc(F)c2F)cn1 ZINC000790168283 629188498 /nfs/dbraw/zinc/18/84/98/629188498.db2.gz QYIBEUAOXGLOCY-UHFFFAOYSA-N 1 2 290.317 3.262 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000862449312 629380659 /nfs/dbraw/zinc/38/06/59/629380659.db2.gz DYWUJRQPBVCEMB-ZDUSSCGKSA-N 1 2 294.354 3.199 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000862449312 629380671 /nfs/dbraw/zinc/38/06/71/629380671.db2.gz DYWUJRQPBVCEMB-ZDUSSCGKSA-N 1 2 294.354 3.199 20 30 CGEDLO C[C@@H](NN=Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000793116335 629413674 /nfs/dbraw/zinc/41/36/74/629413674.db2.gz RXJFVGMQONTPJY-LLVKDONJSA-N 1 2 276.409 3.292 20 30 CGEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)C2 ZINC000794709254 629569795 /nfs/dbraw/zinc/56/97/95/629569795.db2.gz XQZUTXJDMDFGKA-JYRVWZFOSA-N 1 2 298.411 3.336 20 30 CGEDLO COc1c(C)cc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1Cl ZINC000794724288 629572494 /nfs/dbraw/zinc/57/24/94/629572494.db2.gz PEUBOUSEYNFOSR-ONEGZZNKSA-N 1 2 276.723 3.276 20 30 CGEDLO C[C@@H](O[NH+]=C(N)Cc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000794726898 629572774 /nfs/dbraw/zinc/57/27/74/629572774.db2.gz QBMUXLQIHWERMJ-GFCCVEGCSA-N 1 2 297.333 3.500 20 30 CGEDLO C#CC[N@H+](Cc1nc2ccccc2o1)Cc1ccccc1 ZINC000796631247 629807452 /nfs/dbraw/zinc/80/74/52/629807452.db2.gz FFYSMJWEWIQLCB-UHFFFAOYSA-N 1 2 276.339 3.463 20 30 CGEDLO C#CC[N@@H+](Cc1nc2ccccc2o1)Cc1ccccc1 ZINC000796631247 629807456 /nfs/dbraw/zinc/80/74/56/629807456.db2.gz FFYSMJWEWIQLCB-UHFFFAOYSA-N 1 2 276.339 3.463 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCC12CCOCC2 ZINC000864349299 629817369 /nfs/dbraw/zinc/81/73/69/629817369.db2.gz WYBGFKPJQHQZRK-FMNVXAMXSA-N 1 2 259.349 3.018 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000799725152 630225560 /nfs/dbraw/zinc/22/55/60/630225560.db2.gz VBIOIUZPISIUQN-JYYAWHABSA-N 1 2 299.418 3.404 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2c(C)cccc2F)cn1C ZINC000800815933 630301783 /nfs/dbraw/zinc/30/17/83/630301783.db2.gz UNBACCGSIJKTEW-UHFFFAOYSA-N 1 2 260.316 3.012 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H]2CCCSC2)c(O)c1 ZINC000806550786 630565837 /nfs/dbraw/zinc/56/58/37/630565837.db2.gz FNVFRBGEUUHSQX-HMHNVIDESA-N 1 2 279.405 3.353 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)c1cc(C)on1)c1ccncc1 ZINC000810219301 630856170 /nfs/dbraw/zinc/85/61/70/630856170.db2.gz QLOGZKWLFDKPIQ-GXTWGEPZSA-N 1 2 257.337 3.346 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cn(C)nc1CC)c1ccc(Cl)cc1 ZINC000811517230 631082298 /nfs/dbraw/zinc/08/22/98/631082298.db2.gz LOODWHJWGJVXFT-OAHLLOKOSA-N 1 2 287.794 3.100 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000811590232 631088945 /nfs/dbraw/zinc/08/89/45/631088945.db2.gz UUDQDHDEQMWROS-OAHLLOKOSA-N 1 2 289.423 3.088 20 30 CGEDLO C#C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(F)cc1 ZINC000812793688 631312561 /nfs/dbraw/zinc/31/25/61/631312561.db2.gz AOEJPTQXOCMQAT-HNNXBMFYSA-N 1 2 279.318 3.166 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N(CC)CC)cc1 ZINC000814171017 631536712 /nfs/dbraw/zinc/53/67/12/631536712.db2.gz HLEGXFQQYVHRKH-UHFFFAOYSA-N 1 2 271.408 3.434 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(N(CC)CC)cc1 ZINC000814171017 631536716 /nfs/dbraw/zinc/53/67/16/631536716.db2.gz HLEGXFQQYVHRKH-UHFFFAOYSA-N 1 2 271.408 3.434 20 30 CGEDLO CCC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1cccc(N)c1 ZINC000814694708 631625154 /nfs/dbraw/zinc/62/51/54/631625154.db2.gz VWMKKGDLGAPWMV-UHFFFAOYSA-N 1 2 284.319 3.403 20 30 CGEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1cc(F)c(N)c(F)c1 ZINC000814787329 631639484 /nfs/dbraw/zinc/63/94/84/631639484.db2.gz YUIMHKCRANJWQH-UHFFFAOYSA-N 1 2 286.285 3.255 20 30 CGEDLO Clc1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000814841735 631654059 /nfs/dbraw/zinc/65/40/59/631654059.db2.gz VKNUOKJFMSIEJT-UHFFFAOYSA-N 1 2 271.707 3.349 20 30 CGEDLO COc1ccc(O)c(/C=N\Cc2cc(C)[nH+]c(C)c2)c1 ZINC000817706665 632202646 /nfs/dbraw/zinc/20/26/46/632202646.db2.gz DWJQIADUHXUJND-YVLHZVERSA-N 1 2 270.332 3.032 20 30 CGEDLO Cc1cc(NC[C@@H](O)c2ccc(C#N)cc2)ccc1[NH+](C)C ZINC000819408034 632452935 /nfs/dbraw/zinc/45/29/35/632452935.db2.gz HZBGZTZGUQWJBA-GOSISDBHSA-N 1 2 295.386 3.078 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1C ZINC000821026902 632714339 /nfs/dbraw/zinc/71/43/39/632714339.db2.gz AHQVYTLIPGMXCJ-DAXSKMNVSA-N 1 2 252.317 3.177 20 30 CGEDLO COc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866212691 633030592 /nfs/dbraw/zinc/03/05/92/633030592.db2.gz IUDBXAXDBNTTLM-ZDUSSCGKSA-N 1 2 296.370 3.166 20 30 CGEDLO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866222853 633033556 /nfs/dbraw/zinc/03/35/56/633033556.db2.gz ZKZXTBVWGPCCDA-RYUDHWBXSA-N 1 2 270.332 3.139 20 30 CGEDLO C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(C#N)c1O ZINC000866238655 633038916 /nfs/dbraw/zinc/03/89/16/633038916.db2.gz QIZIMNFLVICJJL-MRVPVSSYSA-N 1 2 290.310 3.167 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866307130 633075239 /nfs/dbraw/zinc/07/52/39/633075239.db2.gz RKADTUVDIJTHNT-PWSUYJOCSA-N 1 2 280.318 3.492 20 30 CGEDLO CC(C)OCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866335310 633083969 /nfs/dbraw/zinc/08/39/69/633083969.db2.gz ICBPQVOZMMUKMB-ZDUSSCGKSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000866367107 633104505 /nfs/dbraw/zinc/10/45/05/633104505.db2.gz FVYVQTBIMWLLEQ-CMPLNLGQSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866393803 633119969 /nfs/dbraw/zinc/11/99/69/633119969.db2.gz SDZQUBGPJXSSTQ-GXSJLCMTSA-N 1 2 299.201 3.498 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823616966 633127067 /nfs/dbraw/zinc/12/70/67/633127067.db2.gz DXBKIBCITQUXMB-LLVKDONJSA-N 1 2 279.181 3.460 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823616966 633127070 /nfs/dbraw/zinc/12/70/70/633127070.db2.gz DXBKIBCITQUXMB-LLVKDONJSA-N 1 2 279.181 3.460 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000824196906 633210794 /nfs/dbraw/zinc/21/07/94/633210794.db2.gz ZYISRCWGTIOEKI-UWVGGRQHSA-N 1 2 290.215 3.325 20 30 CGEDLO CC(=NN[C@H](C)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000834997026 634305164 /nfs/dbraw/zinc/30/51/64/634305164.db2.gz YADVPWRUAOLQML-LLVKDONJSA-N 1 2 296.296 3.137 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877482516 635054305 /nfs/dbraw/zinc/05/43/05/635054305.db2.gz GOUDGLWAONMZJJ-ZDUSSCGKSA-N 1 2 261.756 3.147 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877482516 635054309 /nfs/dbraw/zinc/05/43/09/635054309.db2.gz GOUDGLWAONMZJJ-ZDUSSCGKSA-N 1 2 261.756 3.147 20 30 CGEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)c(C)c1Br ZINC000877626169 635120273 /nfs/dbraw/zinc/12/02/73/635120273.db2.gz YXQNWTOSAZOBGP-UHFFFAOYSA-N 1 2 293.208 3.411 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877636561 635124889 /nfs/dbraw/zinc/12/48/89/635124889.db2.gz BDLUDXWGDHOIDR-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877636561 635124893 /nfs/dbraw/zinc/12/48/93/635124893.db2.gz BDLUDXWGDHOIDR-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO COc1ccccc1-c1nc(C[NH+]2CCC(C#N)CC2)co1 ZINC000878015984 635321278 /nfs/dbraw/zinc/32/12/78/635321278.db2.gz GSGUWZNMQQKZFA-UHFFFAOYSA-N 1 2 297.358 3.086 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188286 635402918 /nfs/dbraw/zinc/40/29/18/635402918.db2.gz GZPHKSALOWUXBC-RNCFNFMXSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188286 635402927 /nfs/dbraw/zinc/40/29/27/635402927.db2.gz GZPHKSALOWUXBC-RNCFNFMXSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000844417915 635895304 /nfs/dbraw/zinc/89/53/04/635895304.db2.gz XHDUOBRKPAJNQT-OLZOCXBDSA-N 1 2 283.331 3.010 20 30 CGEDLO C[C@@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)n1cc[nH+]c1 ZINC000845283222 636019556 /nfs/dbraw/zinc/01/95/56/636019556.db2.gz AGAFKXIYFAQBOK-STQMWFEESA-N 1 2 283.331 3.010 20 30 CGEDLO C=CCc1ccccc1OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845441561 636036337 /nfs/dbraw/zinc/03/63/37/636036337.db2.gz ZNWKCAGYUQCVNS-UHFFFAOYSA-N 1 2 296.370 3.096 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000848417802 636572267 /nfs/dbraw/zinc/57/22/67/636572267.db2.gz FRPHBLBUBWINBX-UHFFFAOYSA-N 1 2 282.347 3.033 20 30 CGEDLO CC(C)CC(=NNCCCn1cc[nH+]c1)c1ccccc1 ZINC000848417479 636572358 /nfs/dbraw/zinc/57/23/58/636572358.db2.gz AUUWZVGSGRCKBW-UHFFFAOYSA-N 1 2 284.407 3.313 20 30 CGEDLO CCC(=NNCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000848419622 636573936 /nfs/dbraw/zinc/57/39/36/636573936.db2.gz YXTVSGLVSLSYMH-UHFFFAOYSA-N 1 2 290.798 3.331 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000852098400 637592250 /nfs/dbraw/zinc/59/22/50/637592250.db2.gz LYPMMWYRWWHWOF-KRWDZBQOSA-N 1 2 299.374 3.027 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(-c2ccccc2C)no1 ZINC000852102878 637597351 /nfs/dbraw/zinc/59/73/51/637597351.db2.gz SCHIMHPYTDIEHU-CXAGYDPISA-N 1 2 283.375 3.498 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852109889 637599077 /nfs/dbraw/zinc/59/90/77/637599077.db2.gz HJBBOGDTSSKUBU-UHFFFAOYSA-N 1 2 286.753 3.229 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852109889 637599082 /nfs/dbraw/zinc/59/90/82/637599082.db2.gz HJBBOGDTSSKUBU-UHFFFAOYSA-N 1 2 286.753 3.229 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000852329292 637635706 /nfs/dbraw/zinc/63/57/06/637635706.db2.gz XRLYTGRAZRNUEG-NVXWUHKLSA-N 1 2 267.376 3.047 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000852329292 637635711 /nfs/dbraw/zinc/63/57/11/637635711.db2.gz XRLYTGRAZRNUEG-NVXWUHKLSA-N 1 2 267.376 3.047 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000852329291 637636150 /nfs/dbraw/zinc/63/61/50/637636150.db2.gz XRLYTGRAZRNUEG-DOTOQJQBSA-N 1 2 267.376 3.047 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000852329291 637636155 /nfs/dbraw/zinc/63/61/55/637636155.db2.gz XRLYTGRAZRNUEG-DOTOQJQBSA-N 1 2 267.376 3.047 20 30 CGEDLO N#CCC1(CO[NH+]=C(N)Cc2ccc(Cl)cc2)CC1 ZINC000853666356 637886500 /nfs/dbraw/zinc/88/65/00/637886500.db2.gz MNLCSARAFYFSON-UHFFFAOYSA-N 1 2 277.755 3.075 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C)cn1 ZINC000853709286 637897639 /nfs/dbraw/zinc/89/76/39/637897639.db2.gz YBKOCZHQJNNXGO-UHFFFAOYSA-N 1 2 281.359 3.189 20 30 CGEDLO CCC(C)(C)N(CCC#N)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000890022765 638150153 /nfs/dbraw/zinc/15/01/53/638150153.db2.gz OSQXCCGIWGYIKN-UHFFFAOYSA-N 1 2 298.390 3.187 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(C#N)c1O ZINC000924550067 638360096 /nfs/dbraw/zinc/36/00/96/638360096.db2.gz HQCZZHZMBIXPKG-SJORKVTESA-N 1 2 296.370 3.038 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043579 638619491 /nfs/dbraw/zinc/61/94/91/638619491.db2.gz LOKIDPPVTIIYEB-CQSZACIVSA-N 1 2 278.783 3.165 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043579 638619495 /nfs/dbraw/zinc/61/94/95/638619495.db2.gz LOKIDPPVTIIYEB-CQSZACIVSA-N 1 2 278.783 3.165 20 30 CGEDLO CCc1nc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)co1 ZINC000926536526 638782624 /nfs/dbraw/zinc/78/26/24/638782624.db2.gz NLEFNQUEGVQDKT-AWEZNQCLSA-N 1 2 285.347 3.055 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1cccc(C#N)c1O ZINC000926561340 638785201 /nfs/dbraw/zinc/78/52/01/638785201.db2.gz GLPPJCGEPJOZBA-IJEWVQPXSA-N 1 2 288.391 3.261 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3c2nccc3Cl)CCC1 ZINC000926626454 638791927 /nfs/dbraw/zinc/79/19/27/638791927.db2.gz IIBVQMNQTNVNBE-LBPRGKRZSA-N 1 2 261.756 3.006 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000926945252 638828185 /nfs/dbraw/zinc/82/81/85/638828185.db2.gz NBTFHDOUOIRTNN-UBHAPETDSA-N 1 2 284.281 3.113 20 30 CGEDLO Cc1cc(C)nc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000929781018 638950339 /nfs/dbraw/zinc/95/03/39/638950339.db2.gz RBULEXSIKTXAKO-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cc1cc(C)nc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000929781018 638950341 /nfs/dbraw/zinc/95/03/41/638950341.db2.gz RBULEXSIKTXAKO-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)cnc1Br ZINC000930566859 639028544 /nfs/dbraw/zinc/02/85/44/639028544.db2.gz CTUXFHGTODSGAW-UHFFFAOYSA-N 1 2 296.212 3.134 20 30 CGEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)cnc1Br ZINC000930566859 639028549 /nfs/dbraw/zinc/02/85/49/639028549.db2.gz CTUXFHGTODSGAW-UHFFFAOYSA-N 1 2 296.212 3.134 20 30 CGEDLO N#Cc1ccc(C2([NH2+]Cc3c(F)cncc3F)CCC2)cc1 ZINC000930886695 639082481 /nfs/dbraw/zinc/08/24/81/639082481.db2.gz GMNVBFMMPNCUOL-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO Cc1nnc(C[N@H+](C)CCCCC2(C#N)CCC2)s1 ZINC000931072932 639107419 /nfs/dbraw/zinc/10/74/19/639107419.db2.gz YGJWARAAWOOHAY-UHFFFAOYSA-N 1 2 278.425 3.143 20 30 CGEDLO Cc1nnc(C[N@@H+](C)CCCCC2(C#N)CCC2)s1 ZINC000931072932 639107423 /nfs/dbraw/zinc/10/74/23/639107423.db2.gz YGJWARAAWOOHAY-UHFFFAOYSA-N 1 2 278.425 3.143 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000932150370 639276344 /nfs/dbraw/zinc/27/63/44/639276344.db2.gz GYKJEBZGUVNGEO-BLLLJJGKSA-N 1 2 258.340 3.439 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000932150370 639276350 /nfs/dbraw/zinc/27/63/50/639276350.db2.gz GYKJEBZGUVNGEO-BLLLJJGKSA-N 1 2 258.340 3.439 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932158276 639279191 /nfs/dbraw/zinc/27/91/91/639279191.db2.gz CCQQRLYLXHVULC-HNNXBMFYSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932158276 639279198 /nfs/dbraw/zinc/27/91/98/639279198.db2.gz CCQQRLYLXHVULC-HNNXBMFYSA-N 1 2 258.365 3.209 20 30 CGEDLO C[C@@]1([NH2+]Cc2cccc(F)c2C#N)CCOc2ccccc21 ZINC000933369495 639441859 /nfs/dbraw/zinc/44/18/59/639441859.db2.gz HJXLUTUIVASDJO-GOSISDBHSA-N 1 2 296.345 3.485 20 30 CGEDLO Cc1nc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)no1 ZINC000933610350 639469043 /nfs/dbraw/zinc/46/90/43/639469043.db2.gz FSRNYFJZNCTUDN-GFCCVEGCSA-N 1 2 296.374 3.190 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631122 639472337 /nfs/dbraw/zinc/47/23/37/639472337.db2.gz VQFDFIYQQCOGCU-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631122 639472340 /nfs/dbraw/zinc/47/23/40/639472340.db2.gz VQFDFIYQQCOGCU-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO Cc1ccc(CO[NH+]=C(N)c2ccccc2C)cc1 ZINC000047823541 640028120 /nfs/dbraw/zinc/02/81/20/640028120.db2.gz ZBRGVRSSNVFWRW-UHFFFAOYSA-N 1 2 254.333 3.141 20 30 CGEDLO NC(=[NH+]OCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000078460036 640315674 /nfs/dbraw/zinc/31/56/74/640315674.db2.gz VLGVBUVUXPZKSB-UHFFFAOYSA-N 1 2 293.326 3.179 20 30 CGEDLO C#CC[N@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000092541672 640738798 /nfs/dbraw/zinc/73/87/98/640738798.db2.gz ZPWRXZYRDQXCNN-UHFFFAOYSA-N 1 2 284.359 3.394 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000092541672 640738802 /nfs/dbraw/zinc/73/88/02/640738802.db2.gz ZPWRXZYRDQXCNN-UHFFFAOYSA-N 1 2 284.359 3.394 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009268822 640958021 /nfs/dbraw/zinc/95/80/21/640958021.db2.gz KZIWKKJATOTYBJ-BPLDGKMQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009268822 640958023 /nfs/dbraw/zinc/95/80/23/640958023.db2.gz KZIWKKJATOTYBJ-BPLDGKMQSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCCc3cccc(O)c3)c2c1 ZINC001155865164 805616312 /nfs/dbraw/zinc/61/63/12/805616312.db2.gz OKZRKACHMVSKBN-UHFFFAOYSA-N 1 2 289.338 3.467 20 30 CGEDLO Cc1ccccc1OCCCNc1cc(CC#N)cc[nH+]1 ZINC001156034826 805645420 /nfs/dbraw/zinc/64/54/20/805645420.db2.gz XRWDVRHJGFYOBW-UHFFFAOYSA-N 1 2 281.359 3.337 20 30 CGEDLO Cc1nc(NCc2ccccc2C#N)cc(C(C)C)[nH+]1 ZINC001156784233 805734674 /nfs/dbraw/zinc/73/46/74/805734674.db2.gz LBMHLYULVMHJCC-UHFFFAOYSA-N 1 2 266.348 3.392 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3cc(F)cc(C#N)c3)[nH+]c2c1 ZINC001250819324 805781945 /nfs/dbraw/zinc/78/19/45/805781945.db2.gz NMWGKFGMPVBBEG-UHFFFAOYSA-N 1 2 280.306 3.307 20 30 CGEDLO C=C(C)C(=O)OCCNc1cc(C)c2cccc(C)c2[nH+]1 ZINC001157304437 805795041 /nfs/dbraw/zinc/79/50/41/805795041.db2.gz MIZAZJXKJSZLPD-UHFFFAOYSA-N 1 2 284.359 3.383 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCCOC(F)(F)F)c2c1 ZINC001157387532 805805413 /nfs/dbraw/zinc/80/54/13/805805413.db2.gz OSPJBVPTEYCFJJ-UHFFFAOYSA-N 1 2 281.237 3.055 20 30 CGEDLO Cc1ccc([C@H](C)Nc2cc(CC#N)cc[nH+]2)nc1 ZINC001158020998 805916798 /nfs/dbraw/zinc/91/67/98/805916798.db2.gz WAPGUXDURBIGHX-LBPRGKRZSA-N 1 2 252.321 3.024 20 30 CGEDLO COc1cc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)ccc1C#N ZINC001251740079 805928038 /nfs/dbraw/zinc/92/80/38/805928038.db2.gz AHKWMMZXTYGYLZ-UHFFFAOYSA-N 1 2 292.342 3.176 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001252136328 806021632 /nfs/dbraw/zinc/02/16/32/806021632.db2.gz OAJBNCPJYOQARQ-HNNXBMFYSA-N 1 2 299.455 3.173 20 30 CGEDLO C=C[C@](C)(O)CNc1[nH+]cccc1OCc1ccccc1 ZINC001252538803 806058494 /nfs/dbraw/zinc/05/84/94/806058494.db2.gz MGPYVWXWPNXDRS-KRWDZBQOSA-N 1 2 284.359 3.010 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC001252833310 806128603 /nfs/dbraw/zinc/12/86/03/806128603.db2.gz MIGZQNUBMHMVGX-SFHVURJKSA-N 1 2 298.361 3.275 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC001252833310 806128606 /nfs/dbraw/zinc/12/86/06/806128606.db2.gz MIGZQNUBMHMVGX-SFHVURJKSA-N 1 2 298.361 3.275 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359586 806382586 /nfs/dbraw/zinc/38/25/86/806382586.db2.gz KFOHTLWUHQPUPY-IGEOTXOUSA-N 1 2 285.366 3.374 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359586 806382591 /nfs/dbraw/zinc/38/25/91/806382591.db2.gz KFOHTLWUHQPUPY-IGEOTXOUSA-N 1 2 285.366 3.374 20 30 CGEDLO CC(C)c1ccc(C#N)c(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163136247 806704923 /nfs/dbraw/zinc/70/49/23/806704923.db2.gz DHLQCVQTYCBQJH-UHFFFAOYSA-N 1 2 291.358 3.336 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)o1 ZINC000255678786 799172568 /nfs/dbraw/zinc/17/25/68/799172568.db2.gz DUYSCKMAWDHTNH-SREVYHEPSA-N 1 2 266.300 3.440 20 30 CGEDLO C=C(CC)CNc1nc(C)[nH+]c(C)c1Br ZINC000306156197 799213469 /nfs/dbraw/zinc/21/34/69/799213469.db2.gz CNUPMCHZDTWDSQ-UHFFFAOYSA-N 1 2 270.174 3.234 20 30 CGEDLO C#CCCC1(CCNc2cc(CSC)cc[nH+]2)N=N1 ZINC001163380839 806755527 /nfs/dbraw/zinc/75/55/27/806755527.db2.gz KMKGWNJNUHEKGU-UHFFFAOYSA-N 1 2 274.393 3.322 20 30 CGEDLO COc1ccsc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000588489012 799700885 /nfs/dbraw/zinc/70/08/85/799700885.db2.gz GHIHKSIPPZZCDB-WAYWQWQTSA-N 1 2 284.340 3.301 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711434402 800058761 /nfs/dbraw/zinc/05/87/61/800058761.db2.gz FTZATNMLUOSQHO-SNVBAGLBSA-N 1 2 297.171 3.112 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711434402 800058768 /nfs/dbraw/zinc/05/87/68/800058768.db2.gz FTZATNMLUOSQHO-SNVBAGLBSA-N 1 2 297.171 3.112 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809549040 800445116 /nfs/dbraw/zinc/44/51/16/800445116.db2.gz LWNQAAZHHONOFJ-CYBMUJFWSA-N 1 2 297.443 3.113 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809549040 800445120 /nfs/dbraw/zinc/44/51/20/800445120.db2.gz LWNQAAZHHONOFJ-CYBMUJFWSA-N 1 2 297.443 3.113 20 30 CGEDLO Cn1c(CNc2[nH+]cccc2CC#N)cc2ccccc21 ZINC001163933121 806854483 /nfs/dbraw/zinc/85/44/83/806854483.db2.gz OGTHGMBWKFCVRM-UHFFFAOYSA-N 1 2 276.343 3.251 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326114 800724465 /nfs/dbraw/zinc/72/44/65/800724465.db2.gz HKUAKPBONKZJJY-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326114 800724468 /nfs/dbraw/zinc/72/44/68/800724468.db2.gz HKUAKPBONKZJJY-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO Cc1cc(N(C)CCc2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC001163959956 806862221 /nfs/dbraw/zinc/86/22/21/806862221.db2.gz YNUZNCFPLZQZLL-UHFFFAOYSA-N 1 2 292.386 3.213 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046480717 801312230 /nfs/dbraw/zinc/31/22/30/801312230.db2.gz ULNGRJOBRQVVMF-XJKCOSOUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046480717 801312239 /nfs/dbraw/zinc/31/22/39/801312239.db2.gz ULNGRJOBRQVVMF-XJKCOSOUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550763 801313436 /nfs/dbraw/zinc/31/34/36/801313436.db2.gz JJCMNMUGNBVMJF-CJNGLKHVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550763 801313445 /nfs/dbraw/zinc/31/34/45/801313445.db2.gz JJCMNMUGNBVMJF-CJNGLKHVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071798553 801552829 /nfs/dbraw/zinc/55/28/29/801552829.db2.gz AAJFKSCCUWRMDO-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071798553 801552836 /nfs/dbraw/zinc/55/28/36/801552836.db2.gz AAJFKSCCUWRMDO-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001096747959 801894993 /nfs/dbraw/zinc/89/49/93/801894993.db2.gz ACHAORZABLTEGQ-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001096747959 801894998 /nfs/dbraw/zinc/89/49/98/801894998.db2.gz ACHAORZABLTEGQ-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO Cc1nc(N2CCc3cc(C#N)ccc3C2)cc(C(C)C)[nH+]1 ZINC001164477282 806951290 /nfs/dbraw/zinc/95/12/90/806951290.db2.gz AQLZCOUDWKRCPP-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001111191467 802155968 /nfs/dbraw/zinc/15/59/68/802155968.db2.gz VFSXWFVVYGBGSY-MYPMTAMASA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001111191467 802155971 /nfs/dbraw/zinc/15/59/71/802155971.db2.gz VFSXWFVVYGBGSY-MYPMTAMASA-N 1 2 298.858 3.143 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001113372723 802217321 /nfs/dbraw/zinc/21/73/21/802217321.db2.gz NNIQSGUZKZTLFX-MRXNPFEDSA-N 1 2 278.440 3.089 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC001113437776 802220555 /nfs/dbraw/zinc/22/05/55/802220555.db2.gz KRRBTQXBBQTJNJ-UHFFFAOYSA-N 1 2 292.467 3.313 20 30 CGEDLO FC(F)(F)CO[NH+]=Cc1ccccc1N1CCCC1 ZINC001116291078 802324819 /nfs/dbraw/zinc/32/48/19/802324819.db2.gz FQGWWFWUUDMIOO-UHFFFAOYSA-N 1 2 272.270 3.200 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001117351817 802462532 /nfs/dbraw/zinc/46/25/32/802462532.db2.gz XCKVWEFTRMASDD-ZHACJKMWSA-N 1 2 266.344 3.352 20 30 CGEDLO CC(C)c1ocnc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001118907324 802615947 /nfs/dbraw/zinc/61/59/47/802615947.db2.gz OXTSFPLPTLWNIM-UHFFFAOYSA-N 1 2 295.386 3.422 20 30 CGEDLO CC(C)c1ocnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001118907324 802615951 /nfs/dbraw/zinc/61/59/51/802615951.db2.gz OXTSFPLPTLWNIM-UHFFFAOYSA-N 1 2 295.386 3.422 20 30 CGEDLO C=C[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001123551546 802953197 /nfs/dbraw/zinc/95/31/97/802953197.db2.gz JILVYZYUAAVPHF-HOTGVXAUSA-N 1 2 295.386 3.086 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3c(c2)NCC3)cc1C#N ZINC001244018188 803143305 /nfs/dbraw/zinc/14/33/05/803143305.db2.gz HHULMOBKMXNWSG-CIAFOILYSA-N 1 2 290.370 3.415 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245040 803386520 /nfs/dbraw/zinc/38/65/20/803386520.db2.gz MAQXIFMHHZKBPY-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245040 803386527 /nfs/dbraw/zinc/38/65/27/803386527.db2.gz MAQXIFMHHZKBPY-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO N#Cc1ccc(F)c(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1 ZINC001244553802 803434677 /nfs/dbraw/zinc/43/46/77/803434677.db2.gz BRHRDMSEOIQUKA-UHFFFAOYSA-N 1 2 281.212 3.360 20 30 CGEDLO CCCNc1cc(C)[nH+]c(-c2ccc(OC)c(C#N)c2)n1 ZINC001244705700 803505972 /nfs/dbraw/zinc/50/59/72/803505972.db2.gz UZBNIDPAQZVMHR-UHFFFAOYSA-N 1 2 282.347 3.154 20 30 CGEDLO COc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1C#N ZINC001244708383 803507492 /nfs/dbraw/zinc/50/74/92/803507492.db2.gz NLROUBIWOHKAJA-UHFFFAOYSA-N 1 2 279.343 3.229 20 30 CGEDLO COc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC001244709780 803508518 /nfs/dbraw/zinc/50/85/18/803508518.db2.gz HXHOXXMWXTZMRP-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc2c1 ZINC001137216965 803699307 /nfs/dbraw/zinc/69/93/07/803699307.db2.gz DJKFZWCEEXHTNJ-AWEZNQCLSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2nc(C[N@H+]3CCC[C@@H](C#N)C3)ccc2c1 ZINC001137216965 803699308 /nfs/dbraw/zinc/69/93/08/803699308.db2.gz DJKFZWCEEXHTNJ-AWEZNQCLSA-N 1 2 265.360 3.279 20 30 CGEDLO C=CC[NH+]1CCN(Cc2scc(C)c2Cl)CC1 ZINC001137291191 803710274 /nfs/dbraw/zinc/71/02/74/803710274.db2.gz IDXIAYJXKXEBME-UHFFFAOYSA-N 1 2 270.829 3.014 20 30 CGEDLO Cc1cc(-c2cccc3sc(C#N)nc32)c[nH+]c1N ZINC001245540765 803799586 /nfs/dbraw/zinc/79/95/86/803799586.db2.gz VUJCNCJODVYRDT-UHFFFAOYSA-N 1 2 266.329 3.121 20 30 CGEDLO COc1cccc(F)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001138386802 803912490 /nfs/dbraw/zinc/91/24/90/803912490.db2.gz QRHDRYXBNYDWAW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1cccc(F)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001138386802 803912495 /nfs/dbraw/zinc/91/24/95/803912495.db2.gz QRHDRYXBNYDWAW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cc1ccc2[nH]c(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC001138421094 803929618 /nfs/dbraw/zinc/92/96/18/803929618.db2.gz ZFOHYVNHSUUNEP-INIZCTEOSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC001138421094 803929621 /nfs/dbraw/zinc/92/96/21/803929621.db2.gz ZFOHYVNHSUUNEP-INIZCTEOSA-N 1 2 253.349 3.212 20 30 CGEDLO CN(C)c1ccc(Nc2ccc(C3(C#N)CC3)cc2)c[nH+]1 ZINC001212244987 814996826 /nfs/dbraw/zinc/99/68/26/814996826.db2.gz BLSAVEWNEINREW-UHFFFAOYSA-N 1 2 278.359 3.446 20 30 CGEDLO N#Cc1cccc(C[NH+]2CCC(F)(F)CC2)c1Cl ZINC001140806049 804524138 /nfs/dbraw/zinc/52/41/38/804524138.db2.gz ABRNHEPJNWEFIQ-UHFFFAOYSA-N 1 2 270.710 3.443 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140882099 804540587 /nfs/dbraw/zinc/54/05/87/804540587.db2.gz PWGLUZNGRDDNLD-UHFFFAOYSA-N 1 2 288.244 3.070 20 30 CGEDLO CCCCc1[nH]c(CN(CCC#N)CCCC)c[nH+]1 ZINC001141070209 804583808 /nfs/dbraw/zinc/58/38/08/804583808.db2.gz SFGMHXYVVTVXGS-UHFFFAOYSA-N 1 2 262.401 3.268 20 30 CGEDLO CCCCc1[nH]cc(CN(CCC#N)CCCC)[nH+]1 ZINC001141070209 804583811 /nfs/dbraw/zinc/58/38/11/804583811.db2.gz SFGMHXYVVTVXGS-UHFFFAOYSA-N 1 2 262.401 3.268 20 30 CGEDLO C[C@@]1(CF)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164886 804814609 /nfs/dbraw/zinc/81/46/09/804814609.db2.gz QKQZMMPAUNJTLZ-AWEZNQCLSA-N 1 2 268.282 3.018 20 30 CGEDLO C[C@@]1(CF)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164886 804814614 /nfs/dbraw/zinc/81/46/14/804814614.db2.gz QKQZMMPAUNJTLZ-AWEZNQCLSA-N 1 2 268.282 3.018 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1=S ZINC001248447509 804933750 /nfs/dbraw/zinc/93/37/50/804933750.db2.gz XWLHZRODRDTQSP-ZIAGYGMSSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1=S ZINC001248447509 804933755 /nfs/dbraw/zinc/93/37/55/804933755.db2.gz XWLHZRODRDTQSP-ZIAGYGMSSA-N 1 2 292.452 3.070 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+](C)Cc1nccs1 ZINC001248752049 804984736 /nfs/dbraw/zinc/98/47/36/804984736.db2.gz VENMJEDNUIIMQV-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1nccs1 ZINC001248752049 804984742 /nfs/dbraw/zinc/98/47/42/804984742.db2.gz VENMJEDNUIIMQV-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc(OC)c1 ZINC001144487229 804994789 /nfs/dbraw/zinc/99/47/89/804994789.db2.gz HGHRNMPTHFJBOU-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc(OC)c1 ZINC001144487229 804994792 /nfs/dbraw/zinc/99/47/92/804994792.db2.gz HGHRNMPTHFJBOU-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144558755 805003445 /nfs/dbraw/zinc/00/34/45/805003445.db2.gz CFWQIVNYIJXHGQ-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144558755 805003450 /nfs/dbraw/zinc/00/34/50/805003450.db2.gz CFWQIVNYIJXHGQ-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2Cc3cccc(OC)c3C2)cc1 ZINC001144578886 805007949 /nfs/dbraw/zinc/00/79/49/805007949.db2.gz SHMAQQDVXFAFIB-UHFFFAOYSA-N 1 2 263.340 3.192 20 30 CGEDLO C#Cc1ccc(C[N@H+]2Cc3cccc(OC)c3C2)cc1 ZINC001144578886 805007958 /nfs/dbraw/zinc/00/79/58/805007958.db2.gz SHMAQQDVXFAFIB-UHFFFAOYSA-N 1 2 263.340 3.192 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001144755753 805052026 /nfs/dbraw/zinc/05/20/26/805052026.db2.gz WWANSMYMIKLOQV-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001144755753 805052036 /nfs/dbraw/zinc/05/20/36/805052036.db2.gz WWANSMYMIKLOQV-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C=CCN(C(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001154521326 805461725 /nfs/dbraw/zinc/46/17/25/805461725.db2.gz BUXVIUGZWFJKNZ-UHFFFAOYSA-N 1 2 283.375 3.295 20 30 CGEDLO C#CCCCNc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001155014122 805522493 /nfs/dbraw/zinc/52/24/93/805522493.db2.gz MBXXOJPIVSHFEI-UHFFFAOYSA-N 1 2 270.332 3.077 20 30 CGEDLO C[C@@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001155200283 805555825 /nfs/dbraw/zinc/55/58/25/805555825.db2.gz DACJWZASZDXJTQ-GFCCVEGCSA-N 1 2 251.333 3.343 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)cn1 ZINC001250317795 805561741 /nfs/dbraw/zinc/56/17/41/805561741.db2.gz ZZNGGNHLJJTSOG-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)cn1 ZINC001250317795 805561748 /nfs/dbraw/zinc/56/17/48/805561748.db2.gz ZZNGGNHLJJTSOG-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257463390 807169503 /nfs/dbraw/zinc/16/95/03/807169503.db2.gz MRJTWAWCNILDOI-XQQFMLRXSA-N 1 2 275.458 3.042 20 30 CGEDLO CCCCCCCCCC[C@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257548491 807195266 /nfs/dbraw/zinc/19/52/66/807195266.db2.gz WCRPZPBNNJLZJR-LSDHHAIUSA-N 1 2 287.444 3.029 20 30 CGEDLO N#Cc1ccccc1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167634530 807221031 /nfs/dbraw/zinc/22/10/31/807221031.db2.gz GWGOXVDPJSLAMP-UHFFFAOYSA-N 1 2 274.327 3.121 20 30 CGEDLO CC(C)OC1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001257872586 807232954 /nfs/dbraw/zinc/23/29/54/807232954.db2.gz BPDKJVPKHIPNIP-UHFFFAOYSA-N 1 2 250.386 3.149 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001258030758 807270275 /nfs/dbraw/zinc/27/02/75/807270275.db2.gz YEASUGUSXUUASU-VMBOVVBDSA-N 1 2 294.439 3.416 20 30 CGEDLO CCCCCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001258042686 807272237 /nfs/dbraw/zinc/27/22/37/807272237.db2.gz UVADWYHGQMDZFE-STQMWFEESA-N 1 2 275.458 3.187 20 30 CGEDLO CCCCCCCCC[C@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001258227572 807376773 /nfs/dbraw/zinc/37/67/73/807376773.db2.gz DVWUMXXHFGRTOF-ZNMIVQPWSA-N 1 2 287.444 3.028 20 30 CGEDLO N#CCCCCNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001168431241 807413081 /nfs/dbraw/zinc/41/30/81/807413081.db2.gz WVNIPUWUCDZGCW-UHFFFAOYSA-N 1 2 293.168 3.431 20 30 CGEDLO N#CCCCCNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001168431241 807413085 /nfs/dbraw/zinc/41/30/85/807413085.db2.gz WVNIPUWUCDZGCW-UHFFFAOYSA-N 1 2 293.168 3.431 20 30 CGEDLO CCCC[N@H+](CC#N)C1CCN(c2cccc(F)c2)CC1 ZINC001258426524 807445364 /nfs/dbraw/zinc/44/53/64/807445364.db2.gz YPHBUTIPOFHQST-UHFFFAOYSA-N 1 2 289.398 3.420 20 30 CGEDLO CCCC[N@@H+](CC#N)C1CCN(c2cccc(F)c2)CC1 ZINC001258426524 807445369 /nfs/dbraw/zinc/44/53/69/807445369.db2.gz YPHBUTIPOFHQST-UHFFFAOYSA-N 1 2 289.398 3.420 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC1CC1 ZINC001258450181 807456935 /nfs/dbraw/zinc/45/69/35/807456935.db2.gz IRJOPBRHJNISIN-YOEHRIQHSA-N 1 2 287.403 3.105 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@](C)(Cc1ccccc1)C(=O)OC ZINC001258721799 807569879 /nfs/dbraw/zinc/56/98/79/807569879.db2.gz GDUQDPLYBYZLQS-WMLDXEAASA-N 1 2 275.392 3.105 20 30 CGEDLO C#C[C@@](C)(CC)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169700681 807691386 /nfs/dbraw/zinc/69/13/86/807691386.db2.gz VGFOHQRFHFGVDT-HNNXBMFYSA-N 1 2 257.312 3.225 20 30 CGEDLO C#C[C@@](C)(CC)Nc1c(Br)ccc2[nH+]ccn21 ZINC001169699991 807692025 /nfs/dbraw/zinc/69/20/25/807692025.db2.gz FIFCHUOWFVUZTG-ZDUSSCGKSA-N 1 2 292.180 3.311 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495088 808077947 /nfs/dbraw/zinc/07/79/47/808077947.db2.gz XGTYKQLBYKRQTD-FZMZJTMJSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495088 808077954 /nfs/dbraw/zinc/07/79/54/808077954.db2.gz XGTYKQLBYKRQTD-FZMZJTMJSA-N 1 2 276.330 3.058 20 30 CGEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001172347524 808245259 /nfs/dbraw/zinc/24/52/59/808245259.db2.gz WFVPBYSPNSZLDQ-OLZOCXBDSA-N 1 2 275.458 3.187 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)[C@H](C)CC)C1CC1 ZINC001266615709 808297051 /nfs/dbraw/zinc/29/70/51/808297051.db2.gz QPOPEGLBVGELTR-DGCLKSJQSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)[C@H](C)CC)C1CC1 ZINC001266615709 808297056 /nfs/dbraw/zinc/29/70/56/808297056.db2.gz QPOPEGLBVGELTR-DGCLKSJQSA-N 1 2 286.847 3.002 20 30 CGEDLO CCCCCCC[C@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001172508741 808364645 /nfs/dbraw/zinc/36/46/45/808364645.db2.gz NLMVAUVSBNKLAT-HOTGVXAUSA-N 1 2 265.445 3.313 20 30 CGEDLO C=CCCCCC[NH+]1CC(NC(=O)c2sccc2F)C1 ZINC001267644256 808464869 /nfs/dbraw/zinc/46/48/69/808464869.db2.gz LBMWCFDIVYFUHL-UHFFFAOYSA-N 1 2 296.411 3.048 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC(C1CC1)C1CC1 ZINC001268759242 808625704 /nfs/dbraw/zinc/62/57/04/808625704.db2.gz JZADFUBZFPQWOQ-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC(C1CC1)C1CC1 ZINC001268759242 808625714 /nfs/dbraw/zinc/62/57/14/808625714.db2.gz JZADFUBZFPQWOQ-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO COC(=O)CCCC[C@H](C)[NH2+][C@](C)(C#N)CC(C)C ZINC001173445422 808637228 /nfs/dbraw/zinc/63/72/28/808637228.db2.gz YYZVGKMGMHXOAS-ZFWWWQNUSA-N 1 2 268.401 3.026 20 30 CGEDLO N#Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)c(N)c1 ZINC001213355568 815269339 /nfs/dbraw/zinc/26/93/39/815269339.db2.gz IOSJKNYQWXRMGK-UHFFFAOYSA-N 1 2 275.315 3.070 20 30 CGEDLO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)C(=O)OCC ZINC001175175958 809299582 /nfs/dbraw/zinc/29/95/82/809299582.db2.gz YDMOCJBCFIHQGY-SWLSCSKDSA-N 1 2 295.810 3.368 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC1CCC1)C(C)C ZINC001284530651 809308482 /nfs/dbraw/zinc/30/84/82/809308482.db2.gz PDCJQCDYMALILU-UHFFFAOYSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC1CCC1)C(C)C ZINC001284530651 809308487 /nfs/dbraw/zinc/30/84/87/809308487.db2.gz PDCJQCDYMALILU-UHFFFAOYSA-N 1 2 286.847 3.098 20 30 CGEDLO Cc1csc(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175338237 809363906 /nfs/dbraw/zinc/36/39/06/809363906.db2.gz QXMRUGQOTGEPMM-UHFFFAOYSA-N 1 2 258.350 3.133 20 30 CGEDLO CN(C)c1ccc(Nc2cc(F)c(F)c(C#N)c2)c[nH+]1 ZINC001175344197 809367294 /nfs/dbraw/zinc/36/72/94/809367294.db2.gz ATRIGZVVQKMKCE-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO Cc1cc(C#N)c(Nc2ccc(N(C)C)[nH+]c2)cc1F ZINC001175344021 809367820 /nfs/dbraw/zinc/36/78/20/809367820.db2.gz NJEDOBRBPMXDKC-UHFFFAOYSA-N 1 2 270.311 3.210 20 30 CGEDLO CN(C)c1ccc(Nc2c(F)cc(F)cc2C#N)c[nH+]1 ZINC001175345800 809369269 /nfs/dbraw/zinc/36/92/69/809369269.db2.gz ISGSMXDBLCNYIU-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO Cc1ncc(C#N)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349925 809372381 /nfs/dbraw/zinc/37/23/81/809372381.db2.gz QMZPDRCIQUSNQB-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO COc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC001175351428 809374758 /nfs/dbraw/zinc/37/47/58/809374758.db2.gz LPYDEBWHMHFBCO-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ncccc1C#N ZINC001213488654 815288485 /nfs/dbraw/zinc/28/84/85/815288485.db2.gz AUCSBAMFQHPDFW-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO Cc1cc(C)c(Nc2c(C)cc(C#N)cc2C#N)c[nH+]1 ZINC001213515664 815295116 /nfs/dbraw/zinc/29/51/16/815295116.db2.gz CAWLKRJOSMLXFO-UHFFFAOYSA-N 1 2 262.316 3.494 20 30 CGEDLO N#Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1F ZINC001175713236 809517721 /nfs/dbraw/zinc/51/77/21/809517721.db2.gz YCDPQTWTBRZCNN-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO Cc1c[nH+]cc(Nc2ccc(Cl)nc2C#N)c1C ZINC001213523660 815297543 /nfs/dbraw/zinc/29/75/43/815297543.db2.gz YZFSZPMBSKZOPP-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO C#Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001175971832 809586750 /nfs/dbraw/zinc/58/67/50/809586750.db2.gz BZBMTULQNHGIFU-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(C#N)cn1C(C)(C)C ZINC001176117109 809626161 /nfs/dbraw/zinc/62/61/61/809626161.db2.gz RJJBYNJFICKHKC-UHFFFAOYSA-N 1 2 270.336 3.262 20 30 CGEDLO N#Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176748886 809756550 /nfs/dbraw/zinc/75/65/50/809756550.db2.gz HGHNUGSGWUTMLT-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1Cl ZINC001176832838 809763963 /nfs/dbraw/zinc/76/39/63/809763963.db2.gz KJIXTGWAKVFTPU-GFCCVEGCSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1Cl ZINC001176832838 809763967 /nfs/dbraw/zinc/76/39/67/809763967.db2.gz KJIXTGWAKVFTPU-GFCCVEGCSA-N 1 2 251.732 3.467 20 30 CGEDLO C#Cc1cc(Nc2cccc(OCC(C)C)c2)cc[nH+]1 ZINC001213638118 815315537 /nfs/dbraw/zinc/31/55/37/815315537.db2.gz ZBGFLHJVNJKDHD-UHFFFAOYSA-N 1 2 266.344 3.263 20 30 CGEDLO Cc1csc2nc(C)c(C[N@@H+](CCC#N)CC(C)C)n12 ZINC001180404721 809999083 /nfs/dbraw/zinc/99/90/83/809999083.db2.gz XUKNIZNQIQYZHI-UHFFFAOYSA-N 1 2 290.436 3.384 20 30 CGEDLO Cc1csc2nc(C)c(C[N@H+](CCC#N)CC(C)C)n12 ZINC001180404721 809999086 /nfs/dbraw/zinc/99/90/86/809999086.db2.gz XUKNIZNQIQYZHI-UHFFFAOYSA-N 1 2 290.436 3.384 20 30 CGEDLO C=C(C)CNC(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182221581 810099448 /nfs/dbraw/zinc/09/94/48/810099448.db2.gz ALSHYLRQGRPBJO-HNNXBMFYSA-N 1 2 294.826 3.415 20 30 CGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)c(O)cc1F ZINC001184964549 810225768 /nfs/dbraw/zinc/22/57/68/810225768.db2.gz NHTUVATULMIWRI-UHFFFAOYSA-N 1 2 298.321 3.142 20 30 CGEDLO COc1cc(C#N)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001185044656 810230394 /nfs/dbraw/zinc/23/03/94/810230394.db2.gz YOOFGAHHFHMGBV-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1cc(N)nc(SCc2cc(Cl)cc(C#N)c2)[nH+]1 ZINC001188409372 810481110 /nfs/dbraw/zinc/48/11/10/810481110.db2.gz UXHYOACHOXHNCT-UHFFFAOYSA-N 1 2 290.779 3.185 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844415 811546983 /nfs/dbraw/zinc/54/69/83/811546983.db2.gz LNHWGVOYDSTUPP-MFKMUULPSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844415 811546987 /nfs/dbraw/zinc/54/69/87/811546987.db2.gz LNHWGVOYDSTUPP-MFKMUULPSA-N 1 2 262.303 3.015 20 30 CGEDLO CNc1ccc(Nc2ccc(F)c(CC#N)c2)c[nH+]1 ZINC001203465275 812369024 /nfs/dbraw/zinc/36/90/24/812369024.db2.gz ONKBNXBHMYRKTJ-UHFFFAOYSA-N 1 2 256.284 3.072 20 30 CGEDLO Cn1ncc(Nc2ccc([NH+]3CCCCC3)cc2)c1C#N ZINC001203719486 812440003 /nfs/dbraw/zinc/44/00/03/812440003.db2.gz YLXQMSAEFIXBLR-UHFFFAOYSA-N 1 2 281.363 3.026 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001203900006 812486080 /nfs/dbraw/zinc/48/60/80/812486080.db2.gz LYJBNCLNFPBRIY-CYBMUJFWSA-N 1 2 268.282 3.127 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001203900006 812486083 /nfs/dbraw/zinc/48/60/83/812486083.db2.gz LYJBNCLNFPBRIY-CYBMUJFWSA-N 1 2 268.282 3.127 20 30 CGEDLO Cc1cn2cccc(Nc3ccc(C#N)c(F)c3)c2[nH+]1 ZINC001204036320 812528498 /nfs/dbraw/zinc/52/84/98/812528498.db2.gz CVFPDNHIDZGRKA-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC001204554190 812675000 /nfs/dbraw/zinc/67/50/00/812675000.db2.gz VLNOWKWVCCRVOC-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC001204554190 812675005 /nfs/dbraw/zinc/67/50/05/812675005.db2.gz VLNOWKWVCCRVOC-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO N#Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccn1 ZINC001206600343 813369907 /nfs/dbraw/zinc/36/99/07/813369907.db2.gz AIKNLZXWQSJZLX-UHFFFAOYSA-N 1 2 280.718 3.320 20 30 CGEDLO Cc1ccc(CO)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001242668724 823090998 /nfs/dbraw/zinc/09/09/98/823090998.db2.gz COUWOZGOIJUWHA-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO Cc1nc(C#N)c(Nc2ccc3c[nH+]ccc3c2)o1 ZINC001210046691 814263465 /nfs/dbraw/zinc/26/34/65/814263465.db2.gz MYXBYSQAWJPAQJ-UHFFFAOYSA-N 1 2 250.261 3.147 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2cn(CC(F)(F)F)c[nH+]2)C1 ZINC001210150361 814312578 /nfs/dbraw/zinc/31/25/78/814312578.db2.gz DCJDSQLLURECED-UHFFFAOYSA-N 1 2 287.285 3.130 20 30 CGEDLO C=CC[C@@H](OCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC001210224554 814352418 /nfs/dbraw/zinc/35/24/18/814352418.db2.gz ASKJIEOESNQDDY-MRXNPFEDSA-N 1 2 295.810 3.306 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C)cc1C#N ZINC001210563600 814528935 /nfs/dbraw/zinc/52/89/35/814528935.db2.gz NFZZPUYZKHYTGG-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO COc1cc(Nc2cc(OC)c(OC)cc2C#N)cc(C)[nH+]1 ZINC001210780065 814624091 /nfs/dbraw/zinc/62/40/91/814624091.db2.gz FPORVZVCTRFUAV-UHFFFAOYSA-N 1 2 299.330 3.031 20 30 CGEDLO CCCCCCCCCCO[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001217822386 815970461 /nfs/dbraw/zinc/97/04/61/815970461.db2.gz PRFMQXSPOBHQEL-GJZGRUSLSA-N 1 2 285.428 3.047 20 30 CGEDLO C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc[nH+]cc1 ZINC001225290970 816997961 /nfs/dbraw/zinc/99/79/61/816997961.db2.gz MLYIUCIYRWPZQQ-AWEZNQCLSA-N 1 2 290.363 3.026 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC(C)C)nc1 ZINC001231532426 818120907 /nfs/dbraw/zinc/12/09/07/818120907.db2.gz CQOJDZSUISQTAI-UHFFFAOYSA-N 1 2 275.396 3.385 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC(C)C)nc1 ZINC001231532426 818120909 /nfs/dbraw/zinc/12/09/09/818120909.db2.gz CQOJDZSUISQTAI-UHFFFAOYSA-N 1 2 275.396 3.385 20 30 CGEDLO N#Cc1ccnc(C[N@@H+]2CCSc3ccccc3C2)c1 ZINC001232481969 818365969 /nfs/dbraw/zinc/36/59/69/818365969.db2.gz NEWLXUJYTPWCCE-UHFFFAOYSA-N 1 2 281.384 3.061 20 30 CGEDLO N#Cc1ccnc(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001232481969 818365976 /nfs/dbraw/zinc/36/59/76/818365976.db2.gz NEWLXUJYTPWCCE-UHFFFAOYSA-N 1 2 281.384 3.061 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232593499 818392857 /nfs/dbraw/zinc/39/28/57/818392857.db2.gz CCGSUMYHHAOBPF-UHFFFAOYSA-N 1 2 267.756 3.135 20 30 CGEDLO C=CC[N@H+](C)Cc1ccc(C(=O)OCC)cc1Cl ZINC001232593499 818392862 /nfs/dbraw/zinc/39/28/62/818392862.db2.gz CCGSUMYHHAOBPF-UHFFFAOYSA-N 1 2 267.756 3.135 20 30 CGEDLO CC(C)C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232679016 818418127 /nfs/dbraw/zinc/41/81/27/818418127.db2.gz YKEBYAKAQGAFJS-UHFFFAOYSA-N 1 2 258.365 3.132 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001232892776 818466886 /nfs/dbraw/zinc/46/68/86/818466886.db2.gz GKERYRGCDQGMBA-UHFFFAOYSA-N 1 2 266.319 3.297 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001233343569 818589910 /nfs/dbraw/zinc/58/99/10/818589910.db2.gz RSRBEUJURXHFNR-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001233343569 818589917 /nfs/dbraw/zinc/58/99/17/818589917.db2.gz RSRBEUJURXHFNR-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC001235658449 819130594 /nfs/dbraw/zinc/13/05/94/819130594.db2.gz MZYOOZCHDBEQRA-ZDUSSCGKSA-N 1 2 284.256 3.068 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(F)c1 ZINC001235658449 819130597 /nfs/dbraw/zinc/13/05/97/819130597.db2.gz MZYOOZCHDBEQRA-ZDUSSCGKSA-N 1 2 284.256 3.068 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001235652765 819130648 /nfs/dbraw/zinc/13/06/48/819130648.db2.gz AYUQVIRUSPCANO-PHIMTYICSA-N 1 2 298.283 3.314 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001235652765 819130652 /nfs/dbraw/zinc/13/06/52/819130652.db2.gz AYUQVIRUSPCANO-PHIMTYICSA-N 1 2 298.283 3.314 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(F)c(O)c1)C1CCCC1 ZINC001236706741 819577370 /nfs/dbraw/zinc/57/73/70/819577370.db2.gz XTTNONDHIJCTLM-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(F)c(O)c1)C1CCCC1 ZINC001236706741 819577374 /nfs/dbraw/zinc/57/73/74/819577374.db2.gz XTTNONDHIJCTLM-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(F)c1C ZINC001237157662 819683312 /nfs/dbraw/zinc/68/33/12/819683312.db2.gz GYGCXIDCVTXKSY-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1C ZINC001237157662 819683316 /nfs/dbraw/zinc/68/33/16/819683316.db2.gz GYGCXIDCVTXKSY-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO C#CC[NH+]1CCN(Cc2c(Cl)ccc(C)c2Cl)CC1 ZINC001237332191 819731209 /nfs/dbraw/zinc/73/12/09/819731209.db2.gz UBAYFNWNPGRDGR-UHFFFAOYSA-N 1 2 297.229 3.053 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237346659 819732363 /nfs/dbraw/zinc/73/23/63/819732363.db2.gz FRRFOWZIHGCPAK-UHFFFAOYSA-N 1 2 298.386 3.102 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798644 819843933 /nfs/dbraw/zinc/84/39/33/819843933.db2.gz JSDHGQNAODBEDS-SNVBAGLBSA-N 1 2 267.731 3.030 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(OC)ncc1-c1ccccc1 ZINC001238600171 820056171 /nfs/dbraw/zinc/05/61/71/820056171.db2.gz XJILBTDZGMZGAT-UHFFFAOYSA-N 1 2 295.386 3.493 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)ncc1-c1ccccc1 ZINC001238600171 820056181 /nfs/dbraw/zinc/05/61/81/820056181.db2.gz XJILBTDZGMZGAT-UHFFFAOYSA-N 1 2 295.386 3.493 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cnc1F ZINC001238601649 820058505 /nfs/dbraw/zinc/05/85/05/820058505.db2.gz VMTIKRDHHLJQLG-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cnc1F ZINC001238601649 820058513 /nfs/dbraw/zinc/05/85/13/820058513.db2.gz VMTIKRDHHLJQLG-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001238770624 820113367 /nfs/dbraw/zinc/11/33/67/820113367.db2.gz PMJVTHHLIUCHCT-INIZCTEOSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001238770624 820113371 /nfs/dbraw/zinc/11/33/71/820113371.db2.gz PMJVTHHLIUCHCT-INIZCTEOSA-N 1 2 258.365 3.048 20 30 CGEDLO N#Cc1ccc(/C=C/c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC001239284387 820252960 /nfs/dbraw/zinc/25/29/60/820252960.db2.gz LCEXKYGRPCMJHE-FNORWQNLSA-N 1 2 286.338 3.368 20 30 CGEDLO CCCCCCCCOC(=O)NCc1ccc(N)[nH+]c1 ZINC001239321751 820268586 /nfs/dbraw/zinc/26/85/86/820268586.db2.gz ANNKJOMGXPWJRK-UHFFFAOYSA-N 1 2 279.384 3.251 20 30 CGEDLO COc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001239521589 820369493 /nfs/dbraw/zinc/36/94/93/820369493.db2.gz GCFXGTSJOYSWGS-XDHOZWIPSA-N 1 2 279.343 3.455 20 30 CGEDLO N#Cc1cnc2cc[nH]c(-c3ccc(Cn4cc[nH+]c4)cc3)c1-2 ZINC001243657684 823476541 /nfs/dbraw/zinc/47/65/41/823476541.db2.gz QCPRJIUJSZXPKG-UHFFFAOYSA-N 1 2 299.337 3.346 20 30 CGEDLO Cc1ccc(CC#N)c(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243657561 823476821 /nfs/dbraw/zinc/47/68/21/823476821.db2.gz UZNJIADHLYKEQJ-UHFFFAOYSA-N 1 2 288.354 3.368 20 30 CGEDLO N#Cc1cc(C(F)(F)F)cnc1-c1ccc2[nH+]ccn2c1 ZINC001240214989 820883053 /nfs/dbraw/zinc/88/30/53/820883053.db2.gz SXZRWYKIBJVKSB-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#CCc1ccc(-c2cc[nH+]c(N)c2)cc1C(F)(F)F ZINC001241170546 821614129 /nfs/dbraw/zinc/61/41/29/821614129.db2.gz NIRBIENZSJBSPX-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1ccnc(C#N)c1 ZINC001241188947 821625821 /nfs/dbraw/zinc/62/58/21/821625821.db2.gz IAIRNMHAHMSZJV-UHFFFAOYSA-N 1 2 278.359 3.314 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(N)cc2)cc1C#N ZINC001241544104 821933415 /nfs/dbraw/zinc/93/34/15/821933415.db2.gz VGAHWYMJLWVCLQ-YBFXNURJSA-N 1 2 264.332 3.029 20 30 CGEDLO COc1ccc(-c2cc(C)[nH+]c(C)c2)c(CC#N)c1 ZINC001241992911 822262320 /nfs/dbraw/zinc/26/23/20/822262320.db2.gz XUHIRGHAAZGHOH-UHFFFAOYSA-N 1 2 252.317 3.440 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2cccnc2C#N)c1 ZINC001242312123 822947617 /nfs/dbraw/zinc/94/76/17/822947617.db2.gz UCOLOQOKPLOSBV-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1cc(C#N)ccc1C ZINC001242542957 823025320 /nfs/dbraw/zinc/02/53/20/823025320.db2.gz VAQJAVUFGBLXSA-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=C(C)CCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001354053825 937087549 /nfs/dbraw/zinc/08/75/49/937087549.db2.gz YTVTVQXHUZDWGB-UHFFFAOYSA-N 1 2 299.374 3.257 20 30 CGEDLO C=CCCCC(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001481579857 927030098 /nfs/dbraw/zinc/03/00/98/927030098.db2.gz KYWFIQLOXZQFLG-UHFFFAOYSA-N 1 2 298.430 3.221 20 30 CGEDLO CN(C)c1ccc(N[C@@H]2CCc3c2cccc3C#N)[nH+]c1 ZINC001171063091 928184419 /nfs/dbraw/zinc/18/44/19/928184419.db2.gz FRUMKYXDCMZGIY-MRXNPFEDSA-N 1 2 278.359 3.119 20 30 CGEDLO COc1ccc(C#N)cc1Nc1cccc2[nH+]c(C)cn21 ZINC001201575207 928281795 /nfs/dbraw/zinc/28/17/95/928281795.db2.gz LFMVLTGAVMXMQF-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@H](OCCCC)C1(C)C)C(=O)OC ZINC001308902552 928552674 /nfs/dbraw/zinc/55/26/74/928552674.db2.gz RABWBJFHYAZGIA-ZNMIVQPWSA-N 1 2 297.439 3.068 20 30 CGEDLO C#C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)c1ccccc1 ZINC001230920521 932643338 /nfs/dbraw/zinc/64/33/38/932643338.db2.gz OJGQKFWYAHBQDM-QGZVFWFLSA-N 1 2 277.323 3.121 20 30 CGEDLO CC#C[C@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083425 932674242 /nfs/dbraw/zinc/67/42/42/932674242.db2.gz KEHOFVNXFYAYJU-AWEZNQCLSA-N 1 2 254.333 3.268 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001492473223 932819755 /nfs/dbraw/zinc/81/97/55/932819755.db2.gz FFWPOTANRYCJLP-KGLIPLIRSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001492473223 932819759 /nfs/dbraw/zinc/81/97/59/932819759.db2.gz FFWPOTANRYCJLP-KGLIPLIRSA-N 1 2 286.847 3.003 20 30 CGEDLO C#CCC[NH+]1CCN([C@H](C)c2c(C)cc(C)cc2C)CC1 ZINC001307653556 932981950 /nfs/dbraw/zinc/98/19/50/932981950.db2.gz HNRPAQVXCUOPPU-GOSISDBHSA-N 1 2 284.447 3.314 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(=O)OCC ZINC001308918934 933204766 /nfs/dbraw/zinc/20/47/66/933204766.db2.gz RULFLBMVGWHWCJ-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1cc(C#N)cs1 ZINC001308959190 933213613 /nfs/dbraw/zinc/21/36/13/933213613.db2.gz SHTTUTOOULNUOQ-UHFFFAOYSA-N 1 2 273.386 3.185 20 30 CGEDLO C[N@H+](Cc1csc(C#N)c1)Cc1cc(C#N)cs1 ZINC001308959190 933213619 /nfs/dbraw/zinc/21/36/19/933213619.db2.gz SHTTUTOOULNUOQ-UHFFFAOYSA-N 1 2 273.386 3.185 20 30 CGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001316946026 933500849 /nfs/dbraw/zinc/50/08/49/933500849.db2.gz WDXAXRGJTGBPOU-OAHLLOKOSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001316946026 933500859 /nfs/dbraw/zinc/50/08/59/933500859.db2.gz WDXAXRGJTGBPOU-OAHLLOKOSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001316980177 933505204 /nfs/dbraw/zinc/50/52/04/933505204.db2.gz LIQZAFNVKFUVKU-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001316980177 933505215 /nfs/dbraw/zinc/50/52/15/933505215.db2.gz LIQZAFNVKFUVKU-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OCC ZINC001321967425 934228017 /nfs/dbraw/zinc/22/80/17/934228017.db2.gz OFJNEUTZMPHTHX-GDBMZVCRSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@](C)(F)CCCC ZINC001322191578 934257453 /nfs/dbraw/zinc/25/74/53/934257453.db2.gz CBAOCGHVRUPFQZ-JSGCOSHPSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@](C)(F)CCCC ZINC001322191578 934257455 /nfs/dbraw/zinc/25/74/55/934257455.db2.gz CBAOCGHVRUPFQZ-JSGCOSHPSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001322307741 934275932 /nfs/dbraw/zinc/27/59/32/934275932.db2.gz SHXNHTISVPDLPD-URGYJCLVSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001322307741 934275942 /nfs/dbraw/zinc/27/59/42/934275942.db2.gz SHXNHTISVPDLPD-URGYJCLVSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CCCC[NH2+][C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC001473700258 937817832 /nfs/dbraw/zinc/81/78/32/937817832.db2.gz MYLAZAFRDSGJHG-OAHLLOKOSA-N 1 2 295.810 3.370 20 30 CGEDLO Cc1c[nH+]c2ccccc2c1NCC1(C#N)CCCC1 ZINC001327281414 935051294 /nfs/dbraw/zinc/05/12/94/935051294.db2.gz DDGXJHHGNSDTHK-UHFFFAOYSA-N 1 2 265.360 3.461 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716811 935080074 /nfs/dbraw/zinc/08/00/74/935080074.db2.gz QENZVUMGYGAHPE-UKRRQHHQSA-N 1 2 299.374 3.075 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716811 935080080 /nfs/dbraw/zinc/08/00/80/935080080.db2.gz QENZVUMGYGAHPE-UKRRQHHQSA-N 1 2 299.374 3.075 20 30 CGEDLO C=C[C@H](COC)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC001328814993 935171087 /nfs/dbraw/zinc/17/10/87/935171087.db2.gz IHJQMASLRAWISS-MFKMUULPSA-N 1 2 269.772 3.287 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001329160978 935192187 /nfs/dbraw/zinc/19/21/87/935192187.db2.gz KDDAVVPCSIGUCX-AWEZNQCLSA-N 1 2 280.375 3.202 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001329160978 935192189 /nfs/dbraw/zinc/19/21/89/935192189.db2.gz KDDAVVPCSIGUCX-AWEZNQCLSA-N 1 2 280.375 3.202 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C(C)(CC)CC)CC1 ZINC001333447863 935535960 /nfs/dbraw/zinc/53/59/60/935535960.db2.gz NYCBFNVCUXOYPK-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C(C)(CC)CC)CC1 ZINC001333447863 935535965 /nfs/dbraw/zinc/53/59/65/935535965.db2.gz NYCBFNVCUXOYPK-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(CCC)c1C)CC1CC1 ZINC001335591395 936154465 /nfs/dbraw/zinc/15/44/65/936154465.db2.gz XZZXFUXBEQWWJM-UHFFFAOYSA-N 1 2 286.419 3.043 20 30 CGEDLO C#CC[N@H+](CC(=O)c1cc(C)n(CCC)c1C)CC1CC1 ZINC001335591395 936154467 /nfs/dbraw/zinc/15/44/67/936154467.db2.gz XZZXFUXBEQWWJM-UHFFFAOYSA-N 1 2 286.419 3.043 20 30 CGEDLO CCc1ccc(N2CCc3c(CC#N)cccc3C2)[nH+]c1 ZINC001337235596 936245114 /nfs/dbraw/zinc/24/51/14/936245114.db2.gz BNFDYNGBALGSGU-UHFFFAOYSA-N 1 2 277.371 3.273 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC001337647905 936276864 /nfs/dbraw/zinc/27/68/64/936276864.db2.gz BQUBSLDFSZVYEI-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC001337647905 936276866 /nfs/dbraw/zinc/27/68/66/936276866.db2.gz BQUBSLDFSZVYEI-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC001473879528 937826792 /nfs/dbraw/zinc/82/67/92/937826792.db2.gz JTOPCCAMOYDWFB-GFCCVEGCSA-N 1 2 269.323 3.252 20 30 CGEDLO C=CC[N@@H+](Cc1sc(N(C)C)nc1Cl)C1CC1 ZINC001474427154 937859176 /nfs/dbraw/zinc/85/91/76/937859176.db2.gz DBJMZRMWQODLSF-UHFFFAOYSA-N 1 2 271.817 3.013 20 30 CGEDLO C=CC[N@H+](Cc1sc(N(C)C)nc1Cl)C1CC1 ZINC001474427154 937859178 /nfs/dbraw/zinc/85/91/78/937859178.db2.gz DBJMZRMWQODLSF-UHFFFAOYSA-N 1 2 271.817 3.013 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001506013056 937988609 /nfs/dbraw/zinc/98/86/09/937988609.db2.gz RNPQIXDUVZDZEH-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001506013056 937988610 /nfs/dbraw/zinc/98/86/10/937988610.db2.gz RNPQIXDUVZDZEH-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO N#Cc1sccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001525579806 938050283 /nfs/dbraw/zinc/05/02/83/938050283.db2.gz JEEFOLVYFVPCCQ-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO C=CCC1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001544641706 938146271 /nfs/dbraw/zinc/14/62/71/938146271.db2.gz ACLRYVMRBMPRFD-UHFFFAOYSA-N 1 2 283.375 3.201 20 30 CGEDLO Cc1cc(CNC(=O)Nc2cc(F)cc(C#N)c2)cc(C)[nH+]1 ZINC001563172474 938200765 /nfs/dbraw/zinc/20/07/65/938200765.db2.gz JOYRXTVADKHOAR-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO C=CCCN(C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001556228658 938202453 /nfs/dbraw/zinc/20/24/53/938202453.db2.gz TXIZVUYPXZSVSN-GASCZTMLSA-N 1 2 287.407 3.087 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)[C@H](C)C(=O)OCCC ZINC001559807397 938236351 /nfs/dbraw/zinc/23/63/51/938236351.db2.gz BXHSZOSXBCXAKR-OAHLLOKOSA-N 1 2 275.392 3.406 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OCCC ZINC001559807397 938236352 /nfs/dbraw/zinc/23/63/52/938236352.db2.gz BXHSZOSXBCXAKR-OAHLLOKOSA-N 1 2 275.392 3.406 20 30 CGEDLO Cc1ccc(-c2ncc(C[NH2+][C@H](C)CC#N)s2)o1 ZINC001560574606 938263783 /nfs/dbraw/zinc/26/37/83/938263783.db2.gz GVTYJFCSAMJRFJ-SECBINFHSA-N 1 2 261.350 3.103 20 30 CGEDLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H](C)CC#N ZINC001560574981 938263796 /nfs/dbraw/zinc/26/37/96/938263796.db2.gz UTQXMJGNYTUBQW-LLVKDONJSA-N 1 2 288.782 3.226 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)OC ZINC001560879593 938281399 /nfs/dbraw/zinc/28/13/99/938281399.db2.gz FQZUBTJDTCPPNR-ZNMIVQPWSA-N 1 2 279.424 3.136 20 30 CGEDLO Cc1cc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc(C)[nH+]1 ZINC001562318287 938298593 /nfs/dbraw/zinc/29/85/93/938298593.db2.gz QQNACUUNFVROAL-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001570891917 962105214 /nfs/dbraw/zinc/10/52/14/962105214.db2.gz ZPKHNSABWTWICI-GWJCSSMESA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001570891917 962105226 /nfs/dbraw/zinc/10/52/26/962105226.db2.gz ZPKHNSABWTWICI-GWJCSSMESA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)[C@@H]1C ZINC001571523072 962165757 /nfs/dbraw/zinc/16/57/57/962165757.db2.gz NLPFLNQBBAAOQK-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)[C@@H]1C ZINC001571523072 962165765 /nfs/dbraw/zinc/16/57/65/962165765.db2.gz NLPFLNQBBAAOQK-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccccc1C#N)CC2 ZINC000590660547 346861192 /nfs/dbraw/zinc/86/11/92/346861192.db2.gz GOGGLLPIWVNWQF-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000590660547 346861195 /nfs/dbraw/zinc/86/11/95/346861195.db2.gz GOGGLLPIWVNWQF-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000294972569 199277357 /nfs/dbraw/zinc/27/73/57/199277357.db2.gz LBPHOPBZGKADQC-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO Cc1cc(C)c(NC(=O)N2CCC[C@](C)(C#N)C2)c(C)[nH+]1 ZINC000590836132 346880460 /nfs/dbraw/zinc/88/04/60/346880460.db2.gz SLAKVEOVASRLKN-MRXNPFEDSA-N 1 2 286.379 3.164 20 30 CGEDLO COc1cc(C)[nH+]c(COc2ccc(C#N)c(C)c2)c1 ZINC000434648818 536695336 /nfs/dbraw/zinc/69/53/36/536695336.db2.gz PDUUFHBPKOWKFO-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO N#Cc1cccc(Cl)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269881524 190563052 /nfs/dbraw/zinc/56/30/52/190563052.db2.gz SDUZFGIJXJYILH-ZDUSSCGKSA-N 1 2 298.777 3.297 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591348834 346917116 /nfs/dbraw/zinc/91/71/16/346917116.db2.gz HLZVNBXTHNWQJC-GTNSWQLSSA-N 1 2 280.375 3.318 20 30 CGEDLO CCc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000591369891 346917726 /nfs/dbraw/zinc/91/77/26/346917726.db2.gz MYEOTKVHIMKDKU-INIZCTEOSA-N 1 2 278.359 3.400 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1)C(=O)OC ZINC000591376441 346918260 /nfs/dbraw/zinc/91/82/60/346918260.db2.gz FPMNRZFHSHDANS-CFVMTHIKSA-N 1 2 293.794 3.293 20 30 CGEDLO CC[N@H+](Cc1ccncc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000592064097 346958130 /nfs/dbraw/zinc/95/81/30/346958130.db2.gz LQQAZTURULQUID-CQSZACIVSA-N 1 2 290.370 3.408 20 30 CGEDLO CC[N@@H+](Cc1ccncc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000592064097 346958132 /nfs/dbraw/zinc/95/81/32/346958132.db2.gz LQQAZTURULQUID-CQSZACIVSA-N 1 2 290.370 3.408 20 30 CGEDLO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1[N+](=O)[O-] ZINC000592096742 346962372 /nfs/dbraw/zinc/96/23/72/346962372.db2.gz DHWUZDJAKAHXDO-LBPRGKRZSA-N 1 2 296.330 3.021 20 30 CGEDLO C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151038 346966999 /nfs/dbraw/zinc/96/69/99/346966999.db2.gz JOQGPBOTHHRZNI-HZMBPMFUSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151038 346967000 /nfs/dbraw/zinc/96/70/00/346967000.db2.gz JOQGPBOTHHRZNI-HZMBPMFUSA-N 1 2 299.201 3.405 20 30 CGEDLO N#Cc1cnccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592138271 346965830 /nfs/dbraw/zinc/96/58/30/346965830.db2.gz XJNCZBMVZOIYPW-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO CC1(CC(F)F)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000592524717 346995337 /nfs/dbraw/zinc/99/53/37/346995337.db2.gz ZMFHWNLRZRMHPM-UHFFFAOYSA-N 1 2 268.282 3.174 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1F ZINC000593061139 347034582 /nfs/dbraw/zinc/03/45/82/347034582.db2.gz NVTMDRGPCGUCIR-INIZCTEOSA-N 1 2 269.323 3.333 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000057385536 345177595 /nfs/dbraw/zinc/17/75/95/345177595.db2.gz FGEXTCBKQVMNLQ-UHFFFAOYSA-N 1 2 294.358 3.285 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC ZINC000054183969 345130386 /nfs/dbraw/zinc/13/03/86/345130386.db2.gz IFLDCGAHMYLAFL-LBPRGKRZSA-N 1 2 252.745 3.130 20 30 CGEDLO C=CCCCN(C)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000076486344 345544601 /nfs/dbraw/zinc/54/46/01/345544601.db2.gz OAAGNVPXLJEBFB-UHFFFAOYSA-N 1 2 283.375 3.219 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)cc1Cl)C[C@@H](C)C#N ZINC000081667550 345717193 /nfs/dbraw/zinc/71/71/93/345717193.db2.gz VGPVXNHXRJWHEE-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)cc1Cl)C[C@@H](C)C#N ZINC000081667550 345717194 /nfs/dbraw/zinc/71/71/94/345717194.db2.gz VGPVXNHXRJWHEE-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000130391117 346057073 /nfs/dbraw/zinc/05/70/73/346057073.db2.gz ISCNYKZZXCEIOS-CYBMUJFWSA-N 1 2 257.362 3.278 20 30 CGEDLO N#CC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000159837748 346169379 /nfs/dbraw/zinc/16/93/79/346169379.db2.gz LAQBNKRWRVTVRW-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO COc1ccc(Br)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000230687196 346320988 /nfs/dbraw/zinc/32/09/88/346320988.db2.gz SXQJHOSXMKPJQM-UHFFFAOYSA-N 1 2 297.196 3.097 20 30 CGEDLO Cc1cc(OCc2ccc[nH+]c2N)c(C)c(C)c1C#N ZINC000312240039 346475915 /nfs/dbraw/zinc/47/59/15/346475915.db2.gz GNPRHBOZOGDZFV-UHFFFAOYSA-N 1 2 267.332 3.040 20 30 CGEDLO CCn1nc(C[NH2+]CC2(C#N)CCCC2)c2ccccc21 ZINC000593654745 347100993 /nfs/dbraw/zinc/10/09/93/347100993.db2.gz MRFUMMBAODBDOA-UHFFFAOYSA-N 1 2 282.391 3.230 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000397633501 346583413 /nfs/dbraw/zinc/58/34/13/346583413.db2.gz WFZODHWRUSKHNP-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000397633501 346583417 /nfs/dbraw/zinc/58/34/17/346583417.db2.gz WFZODHWRUSKHNP-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000403861236 346598416 /nfs/dbraw/zinc/59/84/16/346598416.db2.gz ZJNRQRLUSYVCNV-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000403861236 346598417 /nfs/dbraw/zinc/59/84/17/346598417.db2.gz ZJNRQRLUSYVCNV-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000491623396 346629206 /nfs/dbraw/zinc/62/92/06/346629206.db2.gz FRUBZWVOYMEFIP-AWEZNQCLSA-N 1 2 274.726 3.338 20 30 CGEDLO CC(C)n1ccnc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981109 347247586 /nfs/dbraw/zinc/24/75/86/347247586.db2.gz GYSGCNPNAZPIRV-UHFFFAOYSA-N 1 2 260.385 3.028 20 30 CGEDLO CC(C)n1cc[nH+]c1CNCC1(C#N)CCCCC1 ZINC000594981109 347247588 /nfs/dbraw/zinc/24/75/88/347247588.db2.gz GYSGCNPNAZPIRV-UHFFFAOYSA-N 1 2 260.385 3.028 20 30 CGEDLO CCc1cnc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000594981161 347247819 /nfs/dbraw/zinc/24/78/19/347247819.db2.gz IEXOXRRBIZZUMP-UHFFFAOYSA-N 1 2 263.410 3.269 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1Cl)C[C@@H](C)C#N ZINC000595304924 347290008 /nfs/dbraw/zinc/29/00/08/347290008.db2.gz PNECFXRPRVPXME-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1Cl)C[C@@H](C)C#N ZINC000595304924 347290013 /nfs/dbraw/zinc/29/00/13/347290013.db2.gz PNECFXRPRVPXME-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CO[C@H](C[N@H+](CC#N)C1CCCC1)C1CCCCC1 ZINC000595329426 347293330 /nfs/dbraw/zinc/29/33/30/347293330.db2.gz SCGDXVUWCPEVGV-MRXNPFEDSA-N 1 2 264.413 3.350 20 30 CGEDLO CO[C@H](C[N@@H+](CC#N)C1CCCC1)C1CCCCC1 ZINC000595329426 347293331 /nfs/dbraw/zinc/29/33/31/347293331.db2.gz SCGDXVUWCPEVGV-MRXNPFEDSA-N 1 2 264.413 3.350 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000595426122 347301701 /nfs/dbraw/zinc/30/17/01/347301701.db2.gz NAJJOJTXQZNRJB-INIZCTEOSA-N 1 2 285.416 3.464 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000595426122 347301703 /nfs/dbraw/zinc/30/17/03/347301703.db2.gz NAJJOJTXQZNRJB-INIZCTEOSA-N 1 2 285.416 3.464 20 30 CGEDLO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@H](CC#N)C3)n2)c1 ZINC000595611133 347326439 /nfs/dbraw/zinc/32/64/39/347326439.db2.gz HGSVOQARMJQSTD-CQSZACIVSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1cccc(-c2noc(C[N@H+]3CCC[C@H](CC#N)C3)n2)c1 ZINC000595611133 347326442 /nfs/dbraw/zinc/32/64/42/347326442.db2.gz HGSVOQARMJQSTD-CQSZACIVSA-N 1 2 296.374 3.171 20 30 CGEDLO CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)[C@@H](C)C#N ZINC000595813871 347358474 /nfs/dbraw/zinc/35/84/74/347358474.db2.gz XOJFACBSUZLDMK-HNNXBMFYSA-N 1 2 287.407 3.256 20 30 CGEDLO CC[N@@H+](CCCC(=O)Nc1c(C)cccc1C)[C@@H](C)C#N ZINC000595813871 347358478 /nfs/dbraw/zinc/35/84/78/347358478.db2.gz XOJFACBSUZLDMK-HNNXBMFYSA-N 1 2 287.407 3.256 20 30 CGEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCCC#N ZINC000595759801 347352573 /nfs/dbraw/zinc/35/25/73/347352573.db2.gz OCTSKDKJEKYTFV-OAHLLOKOSA-N 1 2 276.355 3.281 20 30 CGEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCCC#N ZINC000595759801 347352576 /nfs/dbraw/zinc/35/25/76/347352576.db2.gz OCTSKDKJEKYTFV-OAHLLOKOSA-N 1 2 276.355 3.281 20 30 CGEDLO COCC[N@H+](CC#N)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595524581 347315804 /nfs/dbraw/zinc/31/58/04/347315804.db2.gz XSEJFJLKAJGRNN-NVXWUHKLSA-N 1 2 272.392 3.042 20 30 CGEDLO COCC[N@@H+](CC#N)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595524581 347315807 /nfs/dbraw/zinc/31/58/07/347315807.db2.gz XSEJFJLKAJGRNN-NVXWUHKLSA-N 1 2 272.392 3.042 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)co1 ZINC000595549975 347318127 /nfs/dbraw/zinc/31/81/27/347318127.db2.gz NOJFFONLELKTGZ-LLVKDONJSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)co1 ZINC000595549975 347318130 /nfs/dbraw/zinc/31/81/30/347318130.db2.gz NOJFFONLELKTGZ-LLVKDONJSA-N 1 2 255.321 3.048 20 30 CGEDLO COc1ccc(-c2cc(C[N@@H+]3CC[C@](C)(C#N)C3)on2)cc1 ZINC000595834505 347363628 /nfs/dbraw/zinc/36/36/28/347363628.db2.gz LMKZMJUQAGEKFN-QGZVFWFLSA-N 1 2 297.358 3.086 20 30 CGEDLO COc1ccc(-c2cc(C[N@H+]3CC[C@](C)(C#N)C3)on2)cc1 ZINC000595834505 347363632 /nfs/dbraw/zinc/36/36/32/347363632.db2.gz LMKZMJUQAGEKFN-QGZVFWFLSA-N 1 2 297.358 3.086 20 30 CGEDLO Cc1cn2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2[nH+]1 ZINC000598469818 347661141 /nfs/dbraw/zinc/66/11/41/347661141.db2.gz UGAGFJZLHJRQIF-QGZVFWFLSA-N 1 2 294.358 3.055 20 30 CGEDLO Cc1nccnc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000598671953 347677042 /nfs/dbraw/zinc/67/70/42/347677042.db2.gz GTLHTUIOXJMXBQ-AEFFLSMTSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1nccnc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000598671953 347677044 /nfs/dbraw/zinc/67/70/44/347677044.db2.gz GTLHTUIOXJMXBQ-AEFFLSMTSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1[nH]c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)[nH+]c1C ZINC000600119717 347782219 /nfs/dbraw/zinc/78/22/19/347782219.db2.gz BGFNKUCXZHQGQI-IAGOWNOFSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000600120671 347782244 /nfs/dbraw/zinc/78/22/44/347782244.db2.gz LUJYKDLORCFOKH-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000600120671 347782247 /nfs/dbraw/zinc/78/22/47/347782247.db2.gz LUJYKDLORCFOKH-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(=O)OCC ZINC000600168407 347788413 /nfs/dbraw/zinc/78/84/13/347788413.db2.gz IYAQAQMVUPJCAQ-OAHLLOKOSA-N 1 2 286.375 3.155 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1cc(C#N)cc(C)n1 ZINC000601160211 347876344 /nfs/dbraw/zinc/87/63/44/347876344.db2.gz UVXLODCRUPBEER-HNNXBMFYSA-N 1 2 295.390 3.210 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3cccc(C#N)n3)CCCC2)n1 ZINC000602553876 347980793 /nfs/dbraw/zinc/98/07/93/347980793.db2.gz XHKSIKMTKWBCBG-UHFFFAOYSA-N 1 2 298.415 3.277 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980365 348050114 /nfs/dbraw/zinc/05/01/14/348050114.db2.gz PIPFNSFHWAZHJK-BXUZGUMPSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980365 348050115 /nfs/dbraw/zinc/05/01/15/348050115.db2.gz PIPFNSFHWAZHJK-BXUZGUMPSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980655 348051002 /nfs/dbraw/zinc/05/10/02/348051002.db2.gz SUCYQYVTPBGJGD-QZTJIDSGSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980655 348051004 /nfs/dbraw/zinc/05/10/04/348051004.db2.gz SUCYQYVTPBGJGD-QZTJIDSGSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602982596 348052645 /nfs/dbraw/zinc/05/26/45/348052645.db2.gz VDFRNDDLCQCEGM-JQWIXIFHSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1cccnc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602982596 348052647 /nfs/dbraw/zinc/05/26/47/348052647.db2.gz VDFRNDDLCQCEGM-JQWIXIFHSA-N 1 2 283.297 3.224 20 30 CGEDLO N#Cc1cc(F)c(NCC[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000604532079 348123511 /nfs/dbraw/zinc/12/35/11/348123511.db2.gz WNGRFYXMSACTIO-UHFFFAOYSA-N 1 2 299.324 3.264 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)C(C)(C)CO1 ZINC000609671491 348350822 /nfs/dbraw/zinc/35/08/22/348350822.db2.gz CTIHQJDCARLRLO-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)C(C)(C)CO1 ZINC000609671491 348350825 /nfs/dbraw/zinc/35/08/25/348350825.db2.gz CTIHQJDCARLRLO-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1ccc(-c2cc(C[NH2+][C@@H](C)CC#N)on2)cc1 ZINC000609030957 348334995 /nfs/dbraw/zinc/33/49/95/348334995.db2.gz WOSVKDBDLPCLNQ-LBPRGKRZSA-N 1 2 255.321 3.042 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000610485193 348384564 /nfs/dbraw/zinc/38/45/64/348384564.db2.gz CHYTXOZKRPTZSA-UHFFFAOYSA-N 1 2 285.347 3.086 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000610485193 348384565 /nfs/dbraw/zinc/38/45/65/348384565.db2.gz CHYTXOZKRPTZSA-UHFFFAOYSA-N 1 2 285.347 3.086 20 30 CGEDLO C[N@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000611249372 348430419 /nfs/dbraw/zinc/43/04/19/348430419.db2.gz JQDFVAFFWWZDDL-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000611249372 348430423 /nfs/dbraw/zinc/43/04/23/348430423.db2.gz JQDFVAFFWWZDDL-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000611561382 348461380 /nfs/dbraw/zinc/46/13/80/348461380.db2.gz GOZFLYWNGYWLPH-UHFFFAOYSA-N 1 2 275.421 3.148 20 30 CGEDLO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)c2c([nH+]1)CCCC2 ZINC000611705788 348468945 /nfs/dbraw/zinc/46/89/45/348468945.db2.gz HFUIPVDWRUKEAC-LBPRGKRZSA-N 1 2 292.386 3.131 20 30 CGEDLO Cc1[nH+]cc(CN2CCC[C@@](C)(C#N)C2)n1-c1ccccc1 ZINC000612405636 348516706 /nfs/dbraw/zinc/51/67/06/348516706.db2.gz BPVJDFOWAFZRIV-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406952 348517683 /nfs/dbraw/zinc/51/76/83/348517683.db2.gz YBGZRKKYYZOCTQ-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406952 348517685 /nfs/dbraw/zinc/51/76/85/348517685.db2.gz YBGZRKKYYZOCTQ-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1F ZINC000615230171 348725162 /nfs/dbraw/zinc/72/51/62/348725162.db2.gz BTOMJRMUANQYGJ-QMTHXVAHSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1F ZINC000615230171 348725166 /nfs/dbraw/zinc/72/51/66/348725166.db2.gz BTOMJRMUANQYGJ-QMTHXVAHSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000616731797 348876885 /nfs/dbraw/zinc/87/68/85/348876885.db2.gz PCNXWJYGFYNZML-SNVBAGLBSA-N 1 2 276.286 3.474 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000617043446 348906964 /nfs/dbraw/zinc/90/69/64/348906964.db2.gz ABSHZHYXQZTHFU-RRFJBIMHSA-N 1 2 275.396 3.085 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000617777561 349007978 /nfs/dbraw/zinc/00/79/78/349007978.db2.gz RICLIUQAEAPBLI-CQSZACIVSA-N 1 2 283.375 3.071 20 30 CGEDLO Cc1ccc2[nH+]c(/C=C\c3ncccc3C#N)cn2c1 ZINC000352021826 219292495 /nfs/dbraw/zinc/29/24/95/219292495.db2.gz RJYRXHSMIMGYFL-WAYWQWQTSA-N 1 2 260.300 3.080 20 30 CGEDLO N#Cc1ccc(CNc2cc[nH+]c3ccncc23)cc1Cl ZINC000619746763 349281181 /nfs/dbraw/zinc/28/11/81/349281181.db2.gz NNGXZDAKOGCLBR-UHFFFAOYSA-N 1 2 294.745 3.189 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000620857038 349428927 /nfs/dbraw/zinc/42/89/27/349428927.db2.gz KIRYTFBZEARXDZ-UHFFFAOYSA-N 1 2 285.391 3.356 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000274142294 192459272 /nfs/dbraw/zinc/45/92/72/192459272.db2.gz DGFKZJYHPNHDFD-NXEZZACHSA-N 1 2 272.377 3.130 20 30 CGEDLO C=CC(C)(C)CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633670036 351343463 /nfs/dbraw/zinc/34/34/63/351343463.db2.gz ONNZBMCCQUKLMX-UHFFFAOYSA-N 1 2 283.375 3.409 20 30 CGEDLO C=CCC[C@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)c1ccccc1 ZINC000635718124 351685487 /nfs/dbraw/zinc/68/54/87/351685487.db2.gz XSAUJJLHEKBDDM-INIZCTEOSA-N 1 2 297.402 3.338 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635769305 351690069 /nfs/dbraw/zinc/69/00/69/351690069.db2.gz BWESYQXFVKEEBM-LBPRGKRZSA-N 1 2 271.364 3.117 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000122949101 187061847 /nfs/dbraw/zinc/06/18/47/187061847.db2.gz CNJYWUYLOYDWLE-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000122949101 187061848 /nfs/dbraw/zinc/06/18/48/187061848.db2.gz CNJYWUYLOYDWLE-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000292204981 198202099 /nfs/dbraw/zinc/20/20/99/198202099.db2.gz PCSDVHYHEUGANN-ZDUSSCGKSA-N 1 2 297.406 3.383 20 30 CGEDLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000292204981 198202101 /nfs/dbraw/zinc/20/21/01/198202101.db2.gz PCSDVHYHEUGANN-ZDUSSCGKSA-N 1 2 297.406 3.383 20 30 CGEDLO Cc1cc(NC2CC(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425226285 236221226 /nfs/dbraw/zinc/22/12/26/236221226.db2.gz NINQIONYPMACQV-UHFFFAOYSA-N 1 2 263.344 3.042 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccncc1F ZINC000425366216 236239014 /nfs/dbraw/zinc/23/90/14/236239014.db2.gz OVJLRHSSWVXUOU-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1F ZINC000425366216 236239016 /nfs/dbraw/zinc/23/90/16/236239016.db2.gz OVJLRHSSWVXUOU-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H]1[N@H+](Cc2ccc(C#N)cc2Cl)CCOC1(C)C ZINC000439423890 291179926 /nfs/dbraw/zinc/17/99/26/291179926.db2.gz QCXUNKHXZKSHKN-LLVKDONJSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@H]1[N@@H+](Cc2ccc(C#N)cc2Cl)CCOC1(C)C ZINC000439423890 291179927 /nfs/dbraw/zinc/17/99/27/291179927.db2.gz QCXUNKHXZKSHKN-LLVKDONJSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437873797 237368385 /nfs/dbraw/zinc/36/83/85/237368385.db2.gz HCCJNDNAZQJGSJ-SNVBAGLBSA-N 1 2 298.358 3.097 20 30 CGEDLO C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437873797 237368391 /nfs/dbraw/zinc/36/83/91/237368391.db2.gz HCCJNDNAZQJGSJ-SNVBAGLBSA-N 1 2 298.358 3.097 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccco2)c(Cl)c1 ZINC000439437886 238254809 /nfs/dbraw/zinc/25/48/09/238254809.db2.gz KWHNITQZPFRZGS-AWEZNQCLSA-N 1 2 290.750 3.018 20 30 CGEDLO Cc1c[nH+]cc(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000119572913 370686868 /nfs/dbraw/zinc/68/68/68/370686868.db2.gz XJBUQGKBPUSTLB-UHFFFAOYSA-N 1 2 280.375 3.352 20 30 CGEDLO Cc1cccn2cc(CNc3ccc(C#N)cc3F)[nH+]c12 ZINC000301727328 201161149 /nfs/dbraw/zinc/16/11/49/201161149.db2.gz AYVZMOFEDFSDMV-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H]2COc3cccc(Cl)c32)c1 ZINC000342417150 216344994 /nfs/dbraw/zinc/34/49/94/216344994.db2.gz MBXPODJOQVELES-LBPRGKRZSA-N 1 2 290.775 3.496 20 30 CGEDLO C=CCCCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184384663 189384599 /nfs/dbraw/zinc/38/45/99/189384599.db2.gz YTRYXLFFFLBJCJ-CQSZACIVSA-N 1 2 292.448 3.310 20 30 CGEDLO C=CC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000121332063 370852183 /nfs/dbraw/zinc/85/21/83/370852183.db2.gz JINYZBJRUPNREG-GFCCVEGCSA-N 1 2 257.337 3.224 20 30 CGEDLO C=CC[N@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000121332063 370852185 /nfs/dbraw/zinc/85/21/85/370852185.db2.gz JINYZBJRUPNREG-GFCCVEGCSA-N 1 2 257.337 3.224 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000537659064 376192267 /nfs/dbraw/zinc/19/22/67/376192267.db2.gz RWDMBGHHBNQFKD-YWVDXFKGSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000537659064 376192272 /nfs/dbraw/zinc/19/22/72/376192272.db2.gz RWDMBGHHBNQFKD-YWVDXFKGSA-N 1 2 258.340 3.463 20 30 CGEDLO CCN(CC)c1ccc(NCc2cccc(C#N)c2)c[nH+]1 ZINC000037003396 369049678 /nfs/dbraw/zinc/04/96/78/369049678.db2.gz AYFAFDGNDRXFIA-UHFFFAOYSA-N 1 2 280.375 3.412 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000574290975 335007713 /nfs/dbraw/zinc/00/77/13/335007713.db2.gz VMJXPXLNYLDMDC-UHFFFAOYSA-N 1 2 285.391 3.461 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000042454468 369222751 /nfs/dbraw/zinc/22/27/51/369222751.db2.gz JDELJQFNFJDGAJ-UHFFFAOYSA-N 1 2 272.270 3.321 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000042454468 369222756 /nfs/dbraw/zinc/22/27/56/369222756.db2.gz JDELJQFNFJDGAJ-UHFFFAOYSA-N 1 2 272.270 3.321 20 30 CGEDLO CC[N@H+](Cc1ccncc1)Cc1cc(C#N)ccc1F ZINC000049024098 369382247 /nfs/dbraw/zinc/38/22/47/369382247.db2.gz BWUIAPFXLFJNJG-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccc1F ZINC000049024098 369382253 /nfs/dbraw/zinc/38/22/53/369382253.db2.gz BWUIAPFXLFJNJG-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1SC ZINC000127589884 370953819 /nfs/dbraw/zinc/95/38/19/370953819.db2.gz KIEFYZZTGAZVDP-UHFFFAOYSA-N 1 2 294.420 3.161 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1SC ZINC000127589884 370953827 /nfs/dbraw/zinc/95/38/27/370953827.db2.gz KIEFYZZTGAZVDP-UHFFFAOYSA-N 1 2 294.420 3.161 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000127620991 370954306 /nfs/dbraw/zinc/95/43/06/370954306.db2.gz CVQSWBJHJQNLQI-UHFFFAOYSA-N 1 2 282.771 3.093 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000127620991 370954311 /nfs/dbraw/zinc/95/43/11/370954311.db2.gz CVQSWBJHJQNLQI-UHFFFAOYSA-N 1 2 282.771 3.093 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000054180784 369496846 /nfs/dbraw/zinc/49/68/46/369496846.db2.gz HKYBAAJUTNPKSQ-SNVBAGLBSA-N 1 2 275.352 3.198 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1Nc1ccc(C#N)cn1 ZINC000055659676 369520716 /nfs/dbraw/zinc/52/07/16/369520716.db2.gz ZBCVVECGTBJFKO-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000066563335 369696645 /nfs/dbraw/zinc/69/66/45/369696645.db2.gz GTRUIZZAUIQBCX-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000066563335 369696650 /nfs/dbraw/zinc/69/66/50/369696650.db2.gz GTRUIZZAUIQBCX-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO N#Cc1ccc(Cl)cc1NCc1cn2ccccc2[nH+]1 ZINC000080117178 369984688 /nfs/dbraw/zinc/98/46/88/369984688.db2.gz DQRBRWNDANJRLE-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO CC[N@@H+](Cc1cnc(CC(C)C)s1)C[C@@H](C)C#N ZINC000091984306 370085383 /nfs/dbraw/zinc/08/53/83/370085383.db2.gz LRJJNQWKCKNKNH-LBPRGKRZSA-N 1 2 265.426 3.323 20 30 CGEDLO CC[N@H+](Cc1cnc(CC(C)C)s1)C[C@@H](C)C#N ZINC000091984306 370085387 /nfs/dbraw/zinc/08/53/87/370085387.db2.gz LRJJNQWKCKNKNH-LBPRGKRZSA-N 1 2 265.426 3.323 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000103139914 370320162 /nfs/dbraw/zinc/32/01/62/370320162.db2.gz LHLZCJHJQBFRQM-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000103139914 370320167 /nfs/dbraw/zinc/32/01/67/370320167.db2.gz LHLZCJHJQBFRQM-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000130331716 371026413 /nfs/dbraw/zinc/02/64/13/371026413.db2.gz KRSNDYYXRYPYGD-LLVKDONJSA-N 1 2 287.388 3.183 20 30 CGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000130537166 371041466 /nfs/dbraw/zinc/04/14/66/371041466.db2.gz CVUNOHLNSGPDRD-INIZCTEOSA-N 1 2 298.365 3.374 20 30 CGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000130537166 371041471 /nfs/dbraw/zinc/04/14/71/371041471.db2.gz CVUNOHLNSGPDRD-INIZCTEOSA-N 1 2 298.365 3.374 20 30 CGEDLO COCc1ccc([C@H]2CCC[N@@H+]2C[C@H](C#N)CCC#N)o1 ZINC000130833169 371062330 /nfs/dbraw/zinc/06/23/30/371062330.db2.gz VTFBNHNYBQAGIZ-DZGCQCFKSA-N 1 2 287.363 3.006 20 30 CGEDLO COCc1ccc([C@H]2CCC[N@H+]2C[C@H](C#N)CCC#N)o1 ZINC000130833169 371062337 /nfs/dbraw/zinc/06/23/37/371062337.db2.gz VTFBNHNYBQAGIZ-DZGCQCFKSA-N 1 2 287.363 3.006 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1C#N ZINC000135214295 371401346 /nfs/dbraw/zinc/40/13/46/371401346.db2.gz NMYBJMOILXPQMH-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1C#N ZINC000135214295 371401351 /nfs/dbraw/zinc/40/13/51/371401351.db2.gz NMYBJMOILXPQMH-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1ccc(OC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000286473414 371505687 /nfs/dbraw/zinc/50/56/87/371505687.db2.gz UKIPJSAWFHIHAA-UHFFFAOYSA-N 1 2 297.333 3.140 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C)n1C1CC1 ZINC000155003387 371896709 /nfs/dbraw/zinc/89/67/09/371896709.db2.gz UEHRJJGENHRSIA-UHFFFAOYSA-N 1 2 296.418 3.152 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C)n1C1CC1 ZINC000155003387 371896718 /nfs/dbraw/zinc/89/67/18/371896718.db2.gz UEHRJJGENHRSIA-UHFFFAOYSA-N 1 2 296.418 3.152 20 30 CGEDLO Cc1sc(C[NH2+]Cc2ccc(C#N)o2)nc1C(C)C ZINC000344160238 217079733 /nfs/dbraw/zinc/07/97/33/217079733.db2.gz XOQFXMHEJLSIDE-UHFFFAOYSA-N 1 2 275.377 3.329 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000425263670 372118310 /nfs/dbraw/zinc/11/83/10/372118310.db2.gz LZZCURIAALYGLW-WFASDCNBSA-N 1 2 299.330 3.146 20 30 CGEDLO Cc1ccc2[nH+]cc(CN(CCC#N)Cc3ccco3)n2c1 ZINC000159632738 372163357 /nfs/dbraw/zinc/16/33/57/372163357.db2.gz VVXPXMVYWPUWGM-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO CCc1nc(C)c(C[N@H+](CCC#N)CC(C)(C)C)o1 ZINC000428220935 372181955 /nfs/dbraw/zinc/18/19/55/372181955.db2.gz JCGQBLKQMLBYOA-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO CCc1nc(C)c(C[N@@H+](CCC#N)CC(C)(C)C)o1 ZINC000428220935 372181965 /nfs/dbraw/zinc/18/19/65/372181965.db2.gz JCGQBLKQMLBYOA-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O)c2nc(C)ccc12 ZINC000428872904 372275515 /nfs/dbraw/zinc/27/55/15/372275515.db2.gz TUQGEULTIXVBMF-UHFFFAOYSA-N 1 2 281.359 3.151 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(O)c2nc(C)ccc12 ZINC000428872904 372275521 /nfs/dbraw/zinc/27/55/21/372275521.db2.gz TUQGEULTIXVBMF-UHFFFAOYSA-N 1 2 281.359 3.151 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000161865416 372357367 /nfs/dbraw/zinc/35/73/67/372357367.db2.gz IFBCPKNKSIGLNQ-OAHLLOKOSA-N 1 2 299.418 3.047 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000161865416 372357372 /nfs/dbraw/zinc/35/73/72/372357372.db2.gz IFBCPKNKSIGLNQ-OAHLLOKOSA-N 1 2 299.418 3.047 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000430086268 372383642 /nfs/dbraw/zinc/38/36/42/372383642.db2.gz CXWZFFVPULEQGS-UHFFFAOYSA-N 1 2 283.375 3.271 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000430086268 372383646 /nfs/dbraw/zinc/38/36/46/372383646.db2.gz CXWZFFVPULEQGS-UHFFFAOYSA-N 1 2 283.375 3.271 20 30 CGEDLO N#Cc1ccc(COc2cc[nH+]cc2)c(OC(F)F)c1 ZINC000431522739 372483278 /nfs/dbraw/zinc/48/32/78/372483278.db2.gz XYYKPBQWTYKNTP-UHFFFAOYSA-N 1 2 276.242 3.134 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293708377 372457386 /nfs/dbraw/zinc/45/73/86/372457386.db2.gz MPUDBDBRIQKEOH-CQSZACIVSA-N 1 2 288.370 3.225 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000433311088 372588112 /nfs/dbraw/zinc/58/81/12/372588112.db2.gz FPIAMLCRIQKNPY-UHFFFAOYSA-N 1 2 260.768 3.173 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000433311088 372588117 /nfs/dbraw/zinc/58/81/17/372588117.db2.gz FPIAMLCRIQKNPY-UHFFFAOYSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000169280571 372628112 /nfs/dbraw/zinc/62/81/12/372628112.db2.gz GKWFWQHUTOEMCF-SNVBAGLBSA-N 1 2 251.399 3.222 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435132932 372736315 /nfs/dbraw/zinc/73/63/15/372736315.db2.gz NBRVGGFUUULMSX-UHFFFAOYSA-N 1 2 286.379 3.431 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435132932 372736320 /nfs/dbraw/zinc/73/63/20/372736320.db2.gz NBRVGGFUUULMSX-UHFFFAOYSA-N 1 2 286.379 3.431 20 30 CGEDLO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)s3)[nH]c2c1 ZINC000344712654 217285897 /nfs/dbraw/zinc/28/58/97/217285897.db2.gz BDFPUGFQQXOXST-UHFFFAOYSA-N 1 2 282.372 3.094 20 30 CGEDLO C=CC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443512259 373155824 /nfs/dbraw/zinc/15/58/24/373155824.db2.gz STAANLNDOBVQAE-UHFFFAOYSA-N 1 2 259.328 3.115 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(CC)no1 ZINC000297941141 373286282 /nfs/dbraw/zinc/28/62/82/373286282.db2.gz RYOAWHDYJQXIMN-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(CC)no1 ZINC000297941141 373286288 /nfs/dbraw/zinc/28/62/88/373286288.db2.gz RYOAWHDYJQXIMN-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(C#N)cs1 ZINC000447094339 373405341 /nfs/dbraw/zinc/40/53/41/373405341.db2.gz RCKNXJYCUUPCPQ-UHFFFAOYSA-N 1 2 288.420 3.272 20 30 CGEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(C#N)cs1 ZINC000447094339 373405356 /nfs/dbraw/zinc/40/53/56/373405356.db2.gz RCKNXJYCUUPCPQ-UHFFFAOYSA-N 1 2 288.420 3.272 20 30 CGEDLO C[N@@H+](Cc1cc2ccccc2o1)C[C@H](C#N)CCC#N ZINC000175310656 373449851 /nfs/dbraw/zinc/44/98/51/373449851.db2.gz ACLXJSOSFWJWFK-ZDUSSCGKSA-N 1 2 267.332 3.308 20 30 CGEDLO C[N@H+](Cc1cc2ccccc2o1)C[C@H](C#N)CCC#N ZINC000175310656 373449857 /nfs/dbraw/zinc/44/98/57/373449857.db2.gz ACLXJSOSFWJWFK-ZDUSSCGKSA-N 1 2 267.332 3.308 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccsc1C)C(=O)OCC ZINC000449653493 373839051 /nfs/dbraw/zinc/83/90/51/373839051.db2.gz CIKGJKNTSOZYQF-CYBMUJFWSA-N 1 2 267.394 3.044 20 30 CGEDLO COc1ccc2[nH+]c(C)nc(N[C@H]3CC[C@@H](CC#N)C3)c2c1 ZINC000450669080 374169334 /nfs/dbraw/zinc/16/93/34/374169334.db2.gz ALHJPITUBSLNON-STQMWFEESA-N 1 2 296.374 3.441 20 30 CGEDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(F)cc2C#N)cc1 ZINC000181973525 374198366 /nfs/dbraw/zinc/19/83/66/374198366.db2.gz FNORLYNHHZTTLP-UHFFFAOYSA-N 1 2 298.361 3.000 20 30 CGEDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(F)cc2C#N)cc1 ZINC000181973525 374198378 /nfs/dbraw/zinc/19/83/78/374198378.db2.gz FNORLYNHHZTTLP-UHFFFAOYSA-N 1 2 298.361 3.000 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)c2nccs2)c1 ZINC000182168575 374227968 /nfs/dbraw/zinc/22/79/68/374227968.db2.gz SZTNXIMODIOPRW-CNOAHFENSA-N 1 2 276.361 3.080 20 30 CGEDLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328925808 374394577 /nfs/dbraw/zinc/39/45/77/374394577.db2.gz DZKFAUUGESGNIN-WOPDTQHZSA-N 1 2 261.369 3.050 20 30 CGEDLO C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328925808 374394581 /nfs/dbraw/zinc/39/45/81/374394581.db2.gz DZKFAUUGESGNIN-WOPDTQHZSA-N 1 2 261.369 3.050 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000328950329 374396533 /nfs/dbraw/zinc/39/65/33/374396533.db2.gz LENPFNKWHVSNGB-CHWSQXEVSA-N 1 2 291.395 3.001 20 30 CGEDLO Cc1cccn2cc(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)[nH+]c12 ZINC000328963318 374396972 /nfs/dbraw/zinc/39/69/72/374396972.db2.gz QZQDOCQUARDKMR-QWHCGFSZSA-N 1 2 299.374 3.105 20 30 CGEDLO Cc1cc(C)n([C@H](C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)n1 ZINC000328801397 374384038 /nfs/dbraw/zinc/38/40/38/374384038.db2.gz ZGWFPRRHKAMDPC-CYBMUJFWSA-N 1 2 297.362 3.305 20 30 CGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000334218772 206208940 /nfs/dbraw/zinc/20/89/40/206208940.db2.gz YNNQPRQERSEVCU-INIZCTEOSA-N 1 2 298.365 3.374 20 30 CGEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000334218772 206208944 /nfs/dbraw/zinc/20/89/44/206208944.db2.gz YNNQPRQERSEVCU-INIZCTEOSA-N 1 2 298.365 3.374 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470917103 375001524 /nfs/dbraw/zinc/00/15/24/375001524.db2.gz DNFPULDFNICCPA-DYVFJYSZSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470917103 375001529 /nfs/dbraw/zinc/00/15/29/375001529.db2.gz DNFPULDFNICCPA-DYVFJYSZSA-N 1 2 289.806 3.191 20 30 CGEDLO Cc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000335862351 375492866 /nfs/dbraw/zinc/49/28/66/375492866.db2.gz DQFUGYZMMXSJRX-GFCCVEGCSA-N 1 2 294.358 3.453 20 30 CGEDLO CCC[N@H+](Cc1cc(C#N)cs1)[C@@H](CC)C(=O)OCC ZINC000191671340 375651345 /nfs/dbraw/zinc/65/13/45/375651345.db2.gz CCERMIWIOIAYQI-AWEZNQCLSA-N 1 2 294.420 3.173 20 30 CGEDLO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](CC)C(=O)OCC ZINC000191671340 375651347 /nfs/dbraw/zinc/65/13/47/375651347.db2.gz CCERMIWIOIAYQI-AWEZNQCLSA-N 1 2 294.420 3.173 20 30 CGEDLO C[C@]1(F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000501415427 375639877 /nfs/dbraw/zinc/63/98/77/375639877.db2.gz DJOAFHVLFJPHOF-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@]1(F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000501415427 375639882 /nfs/dbraw/zinc/63/98/82/375639882.db2.gz DJOAFHVLFJPHOF-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000191889734 375673460 /nfs/dbraw/zinc/67/34/60/375673460.db2.gz LEXBMCSUEZIPFT-HNNXBMFYSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000191889734 375673468 /nfs/dbraw/zinc/67/34/68/375673468.db2.gz LEXBMCSUEZIPFT-HNNXBMFYSA-N 1 2 288.391 3.110 20 30 CGEDLO C=C(C)CC[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000509260242 375778161 /nfs/dbraw/zinc/77/81/61/375778161.db2.gz MRFPIHXFPICJPM-UHFFFAOYSA-N 1 2 281.783 3.281 20 30 CGEDLO C=C(C)CC[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000509260242 375778164 /nfs/dbraw/zinc/77/81/64/375778164.db2.gz MRFPIHXFPICJPM-UHFFFAOYSA-N 1 2 281.783 3.281 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1C ZINC000336855977 376012585 /nfs/dbraw/zinc/01/25/85/376012585.db2.gz JPQHDEHARKRBID-ZWKOTPCHSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1C ZINC000336855977 376012592 /nfs/dbraw/zinc/01/25/92/376012592.db2.gz JPQHDEHARKRBID-ZWKOTPCHSA-N 1 2 294.402 3.000 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000537318129 376162542 /nfs/dbraw/zinc/16/25/42/376162542.db2.gz KKDHNLHDIXQVLH-HIFRSBDPSA-N 1 2 261.365 3.235 20 30 CGEDLO N#CC1(CCC[N@H+]2CCCC[C@@H]2C(F)F)CCOCC1 ZINC000337510167 376225282 /nfs/dbraw/zinc/22/52/82/376225282.db2.gz ILFNJQXDDCYPOY-CYBMUJFWSA-N 1 2 286.366 3.207 20 30 CGEDLO N#CC1(CCC[N@@H+]2CCCC[C@@H]2C(F)F)CCOCC1 ZINC000337510167 376225289 /nfs/dbraw/zinc/22/52/89/376225289.db2.gz ILFNJQXDDCYPOY-CYBMUJFWSA-N 1 2 286.366 3.207 20 30 CGEDLO C=C(CC)C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000543540944 376652075 /nfs/dbraw/zinc/65/20/75/376652075.db2.gz AEBKSUQLNWAVPS-ZDUSSCGKSA-N 1 2 271.364 3.277 20 30 CGEDLO N#Cc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1 ZINC000236187876 376661648 /nfs/dbraw/zinc/66/16/48/376661648.db2.gz UUSOQOCVSPCJGO-UHFFFAOYSA-N 1 2 266.279 3.186 20 30 CGEDLO Cc1ccc2[nH+]c(CN3CCc4ccc(C#N)cc43)cn2c1 ZINC000339822813 376860972 /nfs/dbraw/zinc/86/09/72/376860972.db2.gz ZDXQJFQIJXZALK-UHFFFAOYSA-N 1 2 288.354 3.077 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000248607381 377361804 /nfs/dbraw/zinc/36/18/04/377361804.db2.gz GIEPRDXJDCYXRL-HZPDHXFCSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000248607381 377361813 /nfs/dbraw/zinc/36/18/13/377361813.db2.gz GIEPRDXJDCYXRL-HZPDHXFCSA-N 1 2 295.810 3.040 20 30 CGEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000562821565 377363953 /nfs/dbraw/zinc/36/39/53/377363953.db2.gz SPNGSDLKFKLKGI-KBOKABMXSA-N 1 2 290.370 3.026 20 30 CGEDLO N#Cc1cnc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000562821565 377363960 /nfs/dbraw/zinc/36/39/60/377363960.db2.gz SPNGSDLKFKLKGI-KBOKABMXSA-N 1 2 290.370 3.026 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341134117 377413810 /nfs/dbraw/zinc/41/38/10/377413810.db2.gz IJHICSBEAGDZSN-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341134117 377413811 /nfs/dbraw/zinc/41/38/11/377413811.db2.gz IJHICSBEAGDZSN-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC2(CCC2)O1 ZINC000564929325 377481100 /nfs/dbraw/zinc/48/11/00/377481100.db2.gz NKVQENZYFBOPQJ-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC2(CCC2)O1 ZINC000564929325 377481108 /nfs/dbraw/zinc/48/11/08/377481108.db2.gz NKVQENZYFBOPQJ-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO COc1c(C)c[nH+]c(COc2ccc(C#N)c(C)c2)c1C ZINC000434649126 249135404 /nfs/dbraw/zinc/13/54/04/249135404.db2.gz UMLYCZINBOXREZ-UHFFFAOYSA-N 1 2 282.343 3.466 20 30 CGEDLO C=CC[N@@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000342767369 377778788 /nfs/dbraw/zinc/77/87/88/377778788.db2.gz AXDAJJAVNAABAK-UHFFFAOYSA-N 1 2 263.234 3.342 20 30 CGEDLO C=CC[N@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000342767369 377778798 /nfs/dbraw/zinc/77/87/98/377778798.db2.gz AXDAJJAVNAABAK-UHFFFAOYSA-N 1 2 263.234 3.342 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2Br)CCC1 ZINC000259029296 377801840 /nfs/dbraw/zinc/80/18/40/377801840.db2.gz ZJUOGJJIYBKNRZ-UHFFFAOYSA-N 1 2 279.181 3.233 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267361066 378036807 /nfs/dbraw/zinc/03/68/07/378036807.db2.gz IFXNXFRMUVUWIV-LBPRGKRZSA-N 1 2 280.293 3.148 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267361066 378036816 /nfs/dbraw/zinc/03/68/16/378036816.db2.gz IFXNXFRMUVUWIV-LBPRGKRZSA-N 1 2 280.293 3.148 20 30 CGEDLO Cc1cccn2cc(COc3cccc(F)c3C#N)[nH+]c12 ZINC000578606630 378084065 /nfs/dbraw/zinc/08/40/65/378084065.db2.gz DBJIVWWGXWKPNA-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1OC(F)F ZINC000267910409 378046870 /nfs/dbraw/zinc/04/68/70/378046870.db2.gz DKZRSVGQZNSXRS-JTQLQIEISA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1OC(F)F ZINC000267910409 378046876 /nfs/dbraw/zinc/04/68/76/378046876.db2.gz DKZRSVGQZNSXRS-JTQLQIEISA-N 1 2 254.280 3.022 20 30 CGEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000270417330 378349011 /nfs/dbraw/zinc/34/90/11/378349011.db2.gz YZBRMCMNGJGFBC-CQSZACIVSA-N 1 2 267.376 3.223 20 30 CGEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000270417330 378349018 /nfs/dbraw/zinc/34/90/18/378349018.db2.gz YZBRMCMNGJGFBC-CQSZACIVSA-N 1 2 267.376 3.223 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000271148404 378462873 /nfs/dbraw/zinc/46/28/73/378462873.db2.gz ZUJDGRIDFOWCJV-MRVPVSSYSA-N 1 2 273.163 3.290 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000271148404 378462877 /nfs/dbraw/zinc/46/28/77/378462877.db2.gz ZUJDGRIDFOWCJV-MRVPVSSYSA-N 1 2 273.163 3.290 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2([C@@H](C)CCO)CCC2)c1O ZINC000271797673 378505229 /nfs/dbraw/zinc/50/52/29/378505229.db2.gz KQXFYTOYBQYNFG-FHXOWUIVSA-N 1 2 291.391 3.009 20 30 CGEDLO CN(C)c1ccc(CNc2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC000346778656 378687077 /nfs/dbraw/zinc/68/70/77/378687077.db2.gz ITJSGLBGUUJLNT-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C2CC2)O1 ZINC000348206533 378839479 /nfs/dbraw/zinc/83/94/79/378839479.db2.gz PZBXEYNOIOSZFK-ZBEGNZNMSA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C2CC2)O1 ZINC000348206533 378839481 /nfs/dbraw/zinc/83/94/81/378839481.db2.gz PZBXEYNOIOSZFK-ZBEGNZNMSA-N 1 2 290.794 3.211 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000274755357 378889088 /nfs/dbraw/zinc/88/90/88/378889088.db2.gz FXMFMAPLHHXFBC-OAHLLOKOSA-N 1 2 277.318 3.105 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000348266062 378873311 /nfs/dbraw/zinc/87/33/11/378873311.db2.gz IRLZJRJZKMTGKZ-OAHLLOKOSA-N 1 2 297.402 3.150 20 30 CGEDLO C#CCCC[NH2+]c1cc(Br)c(OC)cc1OC ZINC000275046611 378930474 /nfs/dbraw/zinc/93/04/74/378930474.db2.gz XDWAILIDXWJXBD-UHFFFAOYSA-N 1 2 298.180 3.292 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2nccs2)ccc1F ZINC000370432394 379018024 /nfs/dbraw/zinc/01/80/24/379018024.db2.gz DSEOWXWBTZSDDE-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2nccs2)ccc1F ZINC000370432394 379018033 /nfs/dbraw/zinc/01/80/33/379018033.db2.gz DSEOWXWBTZSDDE-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000277310233 379127979 /nfs/dbraw/zinc/12/79/79/379127979.db2.gz CUVXJHFRYJBVAW-CYBMUJFWSA-N 1 2 293.374 3.122 20 30 CGEDLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000277310233 379127987 /nfs/dbraw/zinc/12/79/87/379127987.db2.gz CUVXJHFRYJBVAW-CYBMUJFWSA-N 1 2 293.374 3.122 20 30 CGEDLO Cc1ccc(C2CCN(c3cnccc3C#N)CC2)c[nH+]1 ZINC000371731019 379174657 /nfs/dbraw/zinc/17/46/57/379174657.db2.gz BTJKAHXKHJUBKV-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000373198920 379239149 /nfs/dbraw/zinc/23/91/49/379239149.db2.gz UTTSVHWOWOCHAL-UHFFFAOYSA-N 1 2 277.755 3.398 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000373198920 379239162 /nfs/dbraw/zinc/23/91/62/379239162.db2.gz UTTSVHWOWOCHAL-UHFFFAOYSA-N 1 2 277.755 3.398 20 30 CGEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000279392913 379423761 /nfs/dbraw/zinc/42/37/61/379423761.db2.gz YXNTZHHCSIYKAU-UHFFFAOYSA-N 1 2 299.201 3.276 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000279392913 379423769 /nfs/dbraw/zinc/42/37/69/379423769.db2.gz YXNTZHHCSIYKAU-UHFFFAOYSA-N 1 2 299.201 3.276 20 30 CGEDLO CC[N@@H+](C/C=C\c1ccc(F)cc1F)CCC#N ZINC000350008811 379475629 /nfs/dbraw/zinc/47/56/29/379475629.db2.gz IPRGHOGFVCHLOD-HYXAFXHYSA-N 1 2 250.292 3.214 20 30 CGEDLO CC[N@H+](C/C=C\c1ccc(F)cc1F)CCC#N ZINC000350008811 379475635 /nfs/dbraw/zinc/47/56/35/379475635.db2.gz IPRGHOGFVCHLOD-HYXAFXHYSA-N 1 2 250.292 3.214 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000350146879 379519901 /nfs/dbraw/zinc/51/99/01/379519901.db2.gz NKSBLFUSMJGQLW-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926081 379647896 /nfs/dbraw/zinc/64/78/96/379647896.db2.gz UAJOUSYIAAYMDB-INIZCTEOSA-N 1 2 290.407 3.087 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926081 379647904 /nfs/dbraw/zinc/64/79/04/379647904.db2.gz UAJOUSYIAAYMDB-INIZCTEOSA-N 1 2 290.407 3.087 20 30 CGEDLO CCn1nccc1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000352367872 379783064 /nfs/dbraw/zinc/78/30/64/379783064.db2.gz CGWBUDMVTZRKOL-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CCn1nccc1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000352367872 379783069 /nfs/dbraw/zinc/78/30/69/379783069.db2.gz CGWBUDMVTZRKOL-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCCC3)c(Cl)c1 ZINC000388595891 379889156 /nfs/dbraw/zinc/88/91/56/379889156.db2.gz CREHKYGMPHGHLL-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCCC3)c(Cl)c1 ZINC000388595891 379889161 /nfs/dbraw/zinc/88/91/61/379889161.db2.gz CREHKYGMPHGHLL-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Br)ccc1C[NH+]1C2CCC1CC2 ZINC000398884463 379932614 /nfs/dbraw/zinc/93/26/14/379932614.db2.gz FUOVCIXBRAEIKE-UHFFFAOYSA-N 1 2 291.192 3.448 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1F ZINC000352824914 379986051 /nfs/dbraw/zinc/98/60/51/379986051.db2.gz RLZAAGCJTIBORF-MRVPVSSYSA-N 1 2 279.315 3.144 20 30 CGEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000414108714 380191143 /nfs/dbraw/zinc/19/11/43/380191143.db2.gz UFZJGUDRLUAGQQ-CZUORRHYSA-N 1 2 268.364 3.116 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000353674503 380218298 /nfs/dbraw/zinc/21/82/98/380218298.db2.gz FGQYQKZXDLAQFE-OTYXRUKQSA-N 1 2 284.388 3.056 20 30 CGEDLO C=C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360028207 381416334 /nfs/dbraw/zinc/41/63/34/381416334.db2.gz RRNSXFLXWDAWLV-UHFFFAOYSA-N 1 2 266.728 3.400 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cncc(C(F)(F)F)c1)C1CC1 ZINC000361328736 381699189 /nfs/dbraw/zinc/69/91/89/381699189.db2.gz QDDAMZOMVLNILC-JTQLQIEISA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cncc(C(F)(F)F)c1)C1CC1 ZINC000361328736 381699193 /nfs/dbraw/zinc/69/91/93/381699193.db2.gz QDDAMZOMVLNILC-JTQLQIEISA-N 1 2 283.297 3.224 20 30 CGEDLO CC1=C(Br)C[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000281034780 195077903 /nfs/dbraw/zinc/07/79/03/195077903.db2.gz GJGQPISTQVXDLM-UHFFFAOYSA-N 1 2 281.153 3.026 20 30 CGEDLO CC1=C(Br)C[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000281034780 195077905 /nfs/dbraw/zinc/07/79/05/195077905.db2.gz GJGQPISTQVXDLM-UHFFFAOYSA-N 1 2 281.153 3.026 20 30 CGEDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1C#N ZINC000289364383 197314281 /nfs/dbraw/zinc/31/42/81/197314281.db2.gz KTRTZNLRTDHGBY-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1C#N ZINC000289364383 197314283 /nfs/dbraw/zinc/31/42/83/197314283.db2.gz KTRTZNLRTDHGBY-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000281355678 195208869 /nfs/dbraw/zinc/20/88/69/195208869.db2.gz KYDHYWJJIQJEHE-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000281355678 195208872 /nfs/dbraw/zinc/20/88/72/195208872.db2.gz KYDHYWJJIQJEHE-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1O ZINC000093101170 392234087 /nfs/dbraw/zinc/23/40/87/392234087.db2.gz VJPFHPBZEDIKOT-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1O ZINC000093101170 392234091 /nfs/dbraw/zinc/23/40/91/392234091.db2.gz VJPFHPBZEDIKOT-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO CC(C)COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000093090658 392234596 /nfs/dbraw/zinc/23/45/96/392234596.db2.gz ASGMJCIVGGKOPN-AWEZNQCLSA-N 1 2 260.381 3.455 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000093090658 392234598 /nfs/dbraw/zinc/23/45/98/392234598.db2.gz ASGMJCIVGGKOPN-AWEZNQCLSA-N 1 2 260.381 3.455 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093938831 392240803 /nfs/dbraw/zinc/24/08/03/392240803.db2.gz LKAOAUGVEWCOJJ-VIFPVBQESA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093938831 392240806 /nfs/dbraw/zinc/24/08/06/392240806.db2.gz LKAOAUGVEWCOJJ-VIFPVBQESA-N 1 2 285.160 3.180 20 30 CGEDLO C=CCC[C@H](CC)[N@@H+]1CCOC[C@@H]1c1nnc(C(C)C)o1 ZINC000282971242 392298659 /nfs/dbraw/zinc/29/86/59/392298659.db2.gz IOHLZSJMCUBHRC-UONOGXRCSA-N 1 2 293.411 3.311 20 30 CGEDLO C=CCC[C@H](CC)[N@H+]1CCOC[C@@H]1c1nnc(C(C)C)o1 ZINC000282971242 392298665 /nfs/dbraw/zinc/29/86/65/392298665.db2.gz IOHLZSJMCUBHRC-UONOGXRCSA-N 1 2 293.411 3.311 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285515301 392324341 /nfs/dbraw/zinc/32/43/41/392324341.db2.gz GFUAQSLHNGBMTJ-UHFFFAOYSA-N 1 2 268.154 3.277 20 30 CGEDLO C=C(Br)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285515301 392324346 /nfs/dbraw/zinc/32/43/46/392324346.db2.gz GFUAQSLHNGBMTJ-UHFFFAOYSA-N 1 2 268.154 3.277 20 30 CGEDLO C#CC[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000286596682 392384123 /nfs/dbraw/zinc/38/41/23/392384123.db2.gz ULCJZNJGTQHESP-INIZCTEOSA-N 1 2 292.386 3.253 20 30 CGEDLO C#CC[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000286596682 392384126 /nfs/dbraw/zinc/38/41/26/392384126.db2.gz ULCJZNJGTQHESP-INIZCTEOSA-N 1 2 292.386 3.253 20 30 CGEDLO C=C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000289813294 392433225 /nfs/dbraw/zinc/43/32/25/392433225.db2.gz OPGJNXKUQJRXFT-BXKDBHETSA-N 1 2 290.190 3.287 20 30 CGEDLO C=C[C@@H](CO)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000289813300 392433493 /nfs/dbraw/zinc/43/34/93/392433493.db2.gz OPGJNXKUQJRXFT-JOYOIKCWSA-N 1 2 290.190 3.287 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000134977908 392469981 /nfs/dbraw/zinc/46/99/81/392469981.db2.gz NPJGGVDBLONBLS-QGZVFWFLSA-N 1 2 283.375 3.091 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000178495276 392680195 /nfs/dbraw/zinc/68/01/95/392680195.db2.gz WJWNPEFEDVBYEI-GFCCVEGCSA-N 1 2 269.186 3.071 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000178495276 392680201 /nfs/dbraw/zinc/68/02/01/392680201.db2.gz WJWNPEFEDVBYEI-GFCCVEGCSA-N 1 2 269.186 3.071 20 30 CGEDLO Cc1nn(C)c2ncc(C[N@@H+](CCC#N)CCC(C)C)cc12 ZINC000173540312 392627334 /nfs/dbraw/zinc/62/73/34/392627334.db2.gz BQNZFBOZOHIDBZ-UHFFFAOYSA-N 1 2 299.422 3.039 20 30 CGEDLO Cc1nn(C)c2ncc(C[N@H+](CCC#N)CCC(C)C)cc12 ZINC000173540312 392627335 /nfs/dbraw/zinc/62/73/35/392627335.db2.gz BQNZFBOZOHIDBZ-UHFFFAOYSA-N 1 2 299.422 3.039 20 30 CGEDLO COc1ccc([NH2+]CC(C)(C)CCC#N)cc1NC(C)=O ZINC000174396377 392640669 /nfs/dbraw/zinc/64/06/69/392640669.db2.gz HNHITIBKQHSPST-UHFFFAOYSA-N 1 2 289.379 3.395 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)on1 ZINC000334370262 392724393 /nfs/dbraw/zinc/72/43/93/392724393.db2.gz VRSBJMHPSGDJPT-AWEZNQCLSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)on1 ZINC000334370262 392724399 /nfs/dbraw/zinc/72/43/99/392724399.db2.gz VRSBJMHPSGDJPT-AWEZNQCLSA-N 1 2 285.322 3.331 20 30 CGEDLO CCc1nn(C)cc1C[N@@H+](CCC#N)CC(CC)CC ZINC000180059623 392707730 /nfs/dbraw/zinc/70/77/30/392707730.db2.gz GUWHFSVFBBABAP-UHFFFAOYSA-N 1 2 276.428 3.134 20 30 CGEDLO CCc1nn(C)cc1C[N@H+](CCC#N)CC(CC)CC ZINC000180059623 392707734 /nfs/dbraw/zinc/70/77/34/392707734.db2.gz GUWHFSVFBBABAP-UHFFFAOYSA-N 1 2 276.428 3.134 20 30 CGEDLO CC(C)SCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374906097 392716276 /nfs/dbraw/zinc/71/62/76/392716276.db2.gz BBFBXYIDZVFDBD-MRXNPFEDSA-N 1 2 290.432 3.073 20 30 CGEDLO CC(C)SCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374906097 392716278 /nfs/dbraw/zinc/71/62/78/392716278.db2.gz BBFBXYIDZVFDBD-MRXNPFEDSA-N 1 2 290.432 3.073 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CCO2)ccc1F ZINC000339059267 392942798 /nfs/dbraw/zinc/94/27/98/392942798.db2.gz IUTPTTRQGRXVFB-QRTARXTBSA-N 1 2 288.366 3.200 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CCO2)ccc1F ZINC000339059267 392942804 /nfs/dbraw/zinc/94/28/04/392942804.db2.gz IUTPTTRQGRXVFB-QRTARXTBSA-N 1 2 288.366 3.200 20 30 CGEDLO N#CCC1(CNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000343045155 393017958 /nfs/dbraw/zinc/01/79/58/393017958.db2.gz LCOIKYFJGGSCMV-UHFFFAOYSA-N 1 2 255.243 3.206 20 30 CGEDLO N#Cc1cnccc1Nc1ccc(Nc2ccccc2)[nH+]c1 ZINC000547825074 393153595 /nfs/dbraw/zinc/15/35/95/393153595.db2.gz JDMUPRUCJVCLOG-UHFFFAOYSA-N 1 2 287.326 3.257 20 30 CGEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000356057558 393353184 /nfs/dbraw/zinc/35/31/84/393353184.db2.gz DODUROVNSFHGGO-UHFFFAOYSA-N 1 2 296.399 3.297 20 30 CGEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000356057558 393353187 /nfs/dbraw/zinc/35/31/87/393353187.db2.gz DODUROVNSFHGGO-UHFFFAOYSA-N 1 2 296.399 3.297 20 30 CGEDLO C=C(C)COc1cccc(NCc2c[nH+]cn2CC)c1 ZINC000417820635 393354708 /nfs/dbraw/zinc/35/47/08/393354708.db2.gz CTPBIGSWVBBIMC-UHFFFAOYSA-N 1 2 271.364 3.470 20 30 CGEDLO C=CC[N@@H+](Cc1cc2n(n1)CCCC2)Cc1cccs1 ZINC000649475808 393442205 /nfs/dbraw/zinc/44/22/05/393442205.db2.gz MWCNKQOVWKVFDG-UHFFFAOYSA-N 1 2 287.432 3.469 20 30 CGEDLO C=CC[N@H+](Cc1cc2n(n1)CCCC2)Cc1cccs1 ZINC000649475808 393442207 /nfs/dbraw/zinc/44/22/07/393442207.db2.gz MWCNKQOVWKVFDG-UHFFFAOYSA-N 1 2 287.432 3.469 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428414562 393463423 /nfs/dbraw/zinc/46/34/23/393463423.db2.gz QFRPAFAYVMYLMK-IUODEOHRSA-N 1 2 279.355 3.293 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](CC=C)CCC#N)cc1 ZINC000430103351 393522538 /nfs/dbraw/zinc/52/25/38/393522538.db2.gz YXNFGTWHHUAEGY-UHFFFAOYSA-N 1 2 256.349 3.153 20 30 CGEDLO C=CCOc1ccc(C[N@H+](CC=C)CCC#N)cc1 ZINC000430103351 393522543 /nfs/dbraw/zinc/52/25/43/393522543.db2.gz YXNFGTWHHUAEGY-UHFFFAOYSA-N 1 2 256.349 3.153 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000491633782 393697692 /nfs/dbraw/zinc/69/76/92/393697692.db2.gz SYFBVXVMQNEJLU-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000491633782 393697695 /nfs/dbraw/zinc/69/76/95/393697695.db2.gz SYFBVXVMQNEJLU-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455467395 394279995 /nfs/dbraw/zinc/27/99/95/394279995.db2.gz ATWBETNTMYSGQT-CYBMUJFWSA-N 1 2 261.369 3.483 20 30 CGEDLO C=CCOc1ccc(CNc2ccc(OC)c[nH+]2)cc1 ZINC000676201441 543386353 /nfs/dbraw/zinc/38/63/53/543386353.db2.gz UMAQWZRDWBBSLE-UHFFFAOYSA-N 1 2 270.332 3.267 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000678714814 543549712 /nfs/dbraw/zinc/54/97/12/543549712.db2.gz QUQKEGPWTAGAEB-KCQAQPDRSA-N 1 2 263.406 3.312 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000678714814 543549713 /nfs/dbraw/zinc/54/97/13/543549713.db2.gz QUQKEGPWTAGAEB-KCQAQPDRSA-N 1 2 263.406 3.312 20 30 CGEDLO N#Cc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000074829982 165093850 /nfs/dbraw/zinc/09/38/50/165093850.db2.gz BXBJJQZNXPRMOA-UHFFFAOYSA-N 1 2 288.310 3.201 20 30 CGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877160 287245923 /nfs/dbraw/zinc/24/59/23/287245923.db2.gz DLMZZCRJIBUISX-SMDDNHRTSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877160 287245924 /nfs/dbraw/zinc/24/59/24/287245924.db2.gz DLMZZCRJIBUISX-SMDDNHRTSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679223894 543603009 /nfs/dbraw/zinc/60/30/09/543603009.db2.gz MJCMZSZLQPJVOE-SWLSCSKDSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1F ZINC000679223894 543603013 /nfs/dbraw/zinc/60/30/13/543603013.db2.gz MJCMZSZLQPJVOE-SWLSCSKDSA-N 1 2 265.759 3.371 20 30 CGEDLO C(#Cc1ccccc1)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000683016901 543889306 /nfs/dbraw/zinc/88/93/06/543889306.db2.gz FRZVUMNGYMXRJU-UHFFFAOYSA-N 1 2 287.366 3.014 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@@H](CC)c2ccccc2F)nn1 ZINC000653778857 419084853 /nfs/dbraw/zinc/08/48/53/419084853.db2.gz PVGJBHKJYLJHKW-INIZCTEOSA-N 1 2 288.370 3.234 20 30 CGEDLO C=CCCCC[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766330 419193133 /nfs/dbraw/zinc/19/31/33/419193133.db2.gz HFNBGHKPCSWMNI-HNNXBMFYSA-N 1 2 270.380 3.182 20 30 CGEDLO C=CCCCC[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660766330 419193135 /nfs/dbraw/zinc/19/31/35/419193135.db2.gz HFNBGHKPCSWMNI-HNNXBMFYSA-N 1 2 270.380 3.182 20 30 CGEDLO C=CC[N@H+](Cc1ncc(Cl)cc1Cl)[C@@H](C)COC ZINC000661241330 419244866 /nfs/dbraw/zinc/24/48/66/419244866.db2.gz VXQOFDJYJHGGNA-JTQLQIEISA-N 1 2 289.206 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(Cl)cc1Cl)[C@@H](C)COC ZINC000661241330 419244867 /nfs/dbraw/zinc/24/48/67/419244867.db2.gz VXQOFDJYJHGGNA-JTQLQIEISA-N 1 2 289.206 3.411 20 30 CGEDLO Cc1ccc(Cc2noc(-c3cccc(CC#N)c3)n2)c[nH+]1 ZINC000356148702 228139788 /nfs/dbraw/zinc/13/97/88/228139788.db2.gz MBEZJRAZIBGOIV-UHFFFAOYSA-N 1 2 290.326 3.097 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@@H+](C)C[C@H](C)C#N)s2)o1 ZINC000352092821 228181605 /nfs/dbraw/zinc/18/16/05/228181605.db2.gz YOBXWLLTWQIISO-SNVBAGLBSA-N 1 2 275.377 3.303 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@H+](C)C[C@H](C)C#N)s2)o1 ZINC000352092821 228181606 /nfs/dbraw/zinc/18/16/06/228181606.db2.gz YOBXWLLTWQIISO-SNVBAGLBSA-N 1 2 275.377 3.303 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179514363 260052474 /nfs/dbraw/zinc/05/24/74/260052474.db2.gz NPGDOOGEFGYEPU-UHFFFAOYSA-N 1 2 253.349 3.251 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179514363 260052475 /nfs/dbraw/zinc/05/24/75/260052475.db2.gz NPGDOOGEFGYEPU-UHFFFAOYSA-N 1 2 253.349 3.251 20 30 CGEDLO C=CCOc1ccccc1CNc1ccc(N(C)C)[nH+]c1 ZINC000037283825 260079579 /nfs/dbraw/zinc/07/95/79/260079579.db2.gz UXIZDLCFMRRQIS-UHFFFAOYSA-N 1 2 283.375 3.325 20 30 CGEDLO C=CCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000521369667 260088134 /nfs/dbraw/zinc/08/81/34/260088134.db2.gz CQGZMKXRWKRVIS-OAHLLOKOSA-N 1 2 288.370 3.369 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000299199569 260173976 /nfs/dbraw/zinc/17/39/76/260173976.db2.gz FOCNJSKKGCMDRX-JTQLQIEISA-N 1 2 293.754 3.148 20 30 CGEDLO N#CCC[N@H+](CCCCCn1cccn1)Cc1ccco1 ZINC000081517556 260334120 /nfs/dbraw/zinc/33/41/20/260334120.db2.gz KDBWTCBCBWIFPZ-UHFFFAOYSA-N 1 2 286.379 3.062 20 30 CGEDLO N#CCC[N@@H+](CCCCCn1cccn1)Cc1ccco1 ZINC000081517556 260334121 /nfs/dbraw/zinc/33/41/21/260334121.db2.gz KDBWTCBCBWIFPZ-UHFFFAOYSA-N 1 2 286.379 3.062 20 30 CGEDLO Cc1nc(CC(N)=[NH+]OCCCCC(F)(F)F)cs1 ZINC000154257060 261089867 /nfs/dbraw/zinc/08/98/67/261089867.db2.gz SUFPBCWZXVCSAA-UHFFFAOYSA-N 1 2 295.330 3.015 20 30 CGEDLO Cc1ccc(-c2cc(C[N@@H+](C)[C@@H](C)CC#N)on2)cc1 ZINC000161913517 261263742 /nfs/dbraw/zinc/26/37/42/261263742.db2.gz LVGIAODMUGWCRB-ZDUSSCGKSA-N 1 2 269.348 3.384 20 30 CGEDLO Cc1ccc(-c2cc(C[N@H+](C)[C@@H](C)CC#N)on2)cc1 ZINC000161913517 261263743 /nfs/dbraw/zinc/26/37/43/261263743.db2.gz LVGIAODMUGWCRB-ZDUSSCGKSA-N 1 2 269.348 3.384 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC000184288716 262014631 /nfs/dbraw/zinc/01/46/31/262014631.db2.gz ZKXSWMDWAIQQDX-UHFFFAOYSA-N 1 2 298.371 3.309 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000192960636 262213079 /nfs/dbraw/zinc/21/30/79/262213079.db2.gz IEJBVEKUVJMOJA-VNHYZAJKSA-N 1 2 296.374 3.470 20 30 CGEDLO COC(=O)[C@H]1CC[C@@H](/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000193257599 262219060 /nfs/dbraw/zinc/21/90/60/262219060.db2.gz OPZYSLUSOSFYDS-ZBGMRHGXSA-N 1 2 297.354 3.306 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354025221 262279586 /nfs/dbraw/zinc/27/95/86/262279586.db2.gz AFTWWXXCMMSTTH-NSHDSACASA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354025221 262279588 /nfs/dbraw/zinc/27/95/88/262279588.db2.gz AFTWWXXCMMSTTH-NSHDSACASA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc2ccccn12 ZINC000160631850 262289809 /nfs/dbraw/zinc/28/98/09/262289809.db2.gz ADVUVXQMWQMJEF-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc2ccccn12 ZINC000160631850 262289810 /nfs/dbraw/zinc/28/98/10/262289810.db2.gz ADVUVXQMWQMJEF-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2ccccc2O[C@@H](C)C#N)c1 ZINC000272401104 263003989 /nfs/dbraw/zinc/00/39/89/263003989.db2.gz FGYQUPNAXVJOIK-ZDUSSCGKSA-N 1 2 297.358 3.302 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C/C(=O)c2cscn2)c[nH+]1 ZINC000276608847 263037511 /nfs/dbraw/zinc/03/75/11/263037511.db2.gz IYDVIYDPBYREQX-GQCTYLIASA-N 1 2 287.388 3.279 20 30 CGEDLO CC(C)(C#N)CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000282038354 263073866 /nfs/dbraw/zinc/07/38/66/263073866.db2.gz XBLOQYRLHYPXAB-UHFFFAOYSA-N 1 2 282.269 3.390 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(Cl)c1 ZINC000292081357 263128119 /nfs/dbraw/zinc/12/81/19/263128119.db2.gz DPLXXOLEVKTWCA-UHFFFAOYSA-N 1 2 264.756 3.250 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(Cl)c1 ZINC000292081357 263128120 /nfs/dbraw/zinc/12/81/20/263128120.db2.gz DPLXXOLEVKTWCA-UHFFFAOYSA-N 1 2 264.756 3.250 20 30 CGEDLO C[N@H+](CCC#N)CCc1c(Cl)cccc1Cl ZINC000294843402 263168297 /nfs/dbraw/zinc/16/82/97/263168297.db2.gz BRNLYWCAZQXYNC-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO C[N@@H+](CCC#N)CCc1c(Cl)cccc1Cl ZINC000294843402 263168299 /nfs/dbraw/zinc/16/82/99/263168299.db2.gz BRNLYWCAZQXYNC-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)CC1CC1 ZINC000295215788 263174502 /nfs/dbraw/zinc/17/45/02/263174502.db2.gz BCGQDJABZPBEKN-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Cl)c(F)cc1O)CC1CC1 ZINC000295215788 263174504 /nfs/dbraw/zinc/17/45/04/263174504.db2.gz BCGQDJABZPBEKN-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO CC[C@H](CC#N)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331241801 264177283 /nfs/dbraw/zinc/17/72/83/264177283.db2.gz QNOJDBFIZSQEPT-GFCCVEGCSA-N 1 2 260.341 3.025 20 30 CGEDLO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000331314064 264187006 /nfs/dbraw/zinc/18/70/06/264187006.db2.gz CNUKAQDYXJSSAZ-JSGCOSHPSA-N 1 2 273.380 3.041 20 30 CGEDLO CC[C@H](C[C@H](C)CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331322955 264189512 /nfs/dbraw/zinc/18/95/12/264189512.db2.gz LLWBFLIUONSZGQ-IINYFYTJSA-N 1 2 293.411 3.130 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000128764605 264307610 /nfs/dbraw/zinc/30/76/10/264307610.db2.gz ORJLXBBRGCQTPB-UHFFFAOYSA-N 1 2 298.390 3.086 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000428094273 264365814 /nfs/dbraw/zinc/36/58/14/264365814.db2.gz GPNVSAIHNVJFKR-FZMZJTMJSA-N 1 2 281.783 3.498 20 30 CGEDLO CC[N@@H+](Cc1cc(F)cc(Cl)c1)C[C@H](C)C#N ZINC000362526783 267001165 /nfs/dbraw/zinc/00/11/65/267001165.db2.gz VEFIMOUASZFOMJ-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1cc(F)cc(Cl)c1)C[C@H](C)C#N ZINC000362526783 267001168 /nfs/dbraw/zinc/00/11/68/267001168.db2.gz VEFIMOUASZFOMJ-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CCn1cc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cn1 ZINC000526135584 267252409 /nfs/dbraw/zinc/25/24/09/267252409.db2.gz OOLIHHNCAMVBGD-UHFFFAOYSA-N 1 2 288.782 3.060 20 30 CGEDLO CCn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cn1 ZINC000526135584 267252411 /nfs/dbraw/zinc/25/24/11/267252411.db2.gz OOLIHHNCAMVBGD-UHFFFAOYSA-N 1 2 288.782 3.060 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCC1 ZINC000418136013 267367537 /nfs/dbraw/zinc/36/75/37/267367537.db2.gz BRHHOCWLCWSGND-UHFFFAOYSA-N 1 2 284.281 3.194 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000354033766 278079334 /nfs/dbraw/zinc/07/93/34/278079334.db2.gz AISPINQKXZFVGX-UHFFFAOYSA-N 1 2 251.399 3.248 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000354033766 278079335 /nfs/dbraw/zinc/07/93/35/278079335.db2.gz AISPINQKXZFVGX-UHFFFAOYSA-N 1 2 251.399 3.248 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C(N)=O)C1 ZINC000336610755 278367990 /nfs/dbraw/zinc/36/79/90/278367990.db2.gz ATTHWYCESRYUOV-IINYFYTJSA-N 1 2 291.782 3.347 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C(N)=O)C1 ZINC000336610755 278367991 /nfs/dbraw/zinc/36/79/91/278367991.db2.gz ATTHWYCESRYUOV-IINYFYTJSA-N 1 2 291.782 3.347 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nccn1C(F)F ZINC000122871575 290217920 /nfs/dbraw/zinc/21/79/20/290217920.db2.gz FCEJWSPUJJEUMT-LLVKDONJSA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nccn1C(F)F ZINC000122871575 290217923 /nfs/dbraw/zinc/21/79/23/290217923.db2.gz FCEJWSPUJJEUMT-LLVKDONJSA-N 1 2 290.317 3.343 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000571104147 328085908 /nfs/dbraw/zinc/08/59/08/328085908.db2.gz LIUYSTVNICCSEZ-CYBMUJFWSA-N 1 2 273.311 3.263 20 30 CGEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)no1 ZINC000564415743 322030360 /nfs/dbraw/zinc/03/03/60/322030360.db2.gz RYEOYBMRTBEHPV-UHFFFAOYSA-N 1 2 295.264 3.163 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571926311 322312280 /nfs/dbraw/zinc/31/22/80/322312280.db2.gz NYNCXXTUPMVNAE-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571926311 322312281 /nfs/dbraw/zinc/31/22/81/322312281.db2.gz NYNCXXTUPMVNAE-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO C=CCc1ccccc1OCc1c[nH+]ccc1OC ZINC000341354731 328408221 /nfs/dbraw/zinc/40/82/21/328408221.db2.gz LKYZKHISPPZACX-UHFFFAOYSA-N 1 2 255.317 3.398 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000558494921 327097889 /nfs/dbraw/zinc/09/78/89/327097889.db2.gz YKHVFDPQNCJRLO-PBHICJAKSA-N 1 2 279.343 3.402 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000569425386 327175715 /nfs/dbraw/zinc/17/57/15/327175715.db2.gz IHACGSKFIPUTSR-UHFFFAOYSA-N 1 2 261.177 3.448 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000569706926 327538656 /nfs/dbraw/zinc/53/86/56/327538656.db2.gz VBSJNGYZYXMHIA-SNVBAGLBSA-N 1 2 261.350 3.185 20 30 CGEDLO C=CCCC1(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000358777360 328894663 /nfs/dbraw/zinc/89/46/63/328894663.db2.gz GMONSVPPTMFWFY-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000377373001 329012994 /nfs/dbraw/zinc/01/29/94/329012994.db2.gz KGYOKDHWHSFXBP-GOEBONIOSA-N 1 2 285.416 3.220 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000377373001 329012996 /nfs/dbraw/zinc/01/29/96/329012996.db2.gz KGYOKDHWHSFXBP-GOEBONIOSA-N 1 2 285.416 3.220 20 30 CGEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C)(C#N)CC1 ZINC000378596521 329055946 /nfs/dbraw/zinc/05/59/46/329055946.db2.gz PAEPDZXGSAALGV-ZDUSSCGKSA-N 1 2 296.374 3.423 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2cccs2)n1)C1CC1 ZINC000274135429 330103736 /nfs/dbraw/zinc/10/37/36/330103736.db2.gz IYNMWSZXSBTZNB-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2cccs2)n1)C1CC1 ZINC000274135429 330103738 /nfs/dbraw/zinc/10/37/38/330103738.db2.gz IYNMWSZXSBTZNB-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000424565813 330378691 /nfs/dbraw/zinc/37/86/91/330378691.db2.gz PONFNFAGXRMMEM-UHFFFAOYSA-N 1 2 257.337 3.412 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](CC)C(F)F)cc1 ZINC000449356498 330918326 /nfs/dbraw/zinc/91/83/26/330918326.db2.gz AARPYRDCZJDZBJ-CYBMUJFWSA-N 1 2 255.308 3.385 20 30 CGEDLO COC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000450871378 331003963 /nfs/dbraw/zinc/00/39/63/331003963.db2.gz BEDHNLOALDMPLP-AWEZNQCLSA-N 1 2 278.783 3.311 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Cl)c(OC)c1 ZINC000451055812 331013765 /nfs/dbraw/zinc/01/37/65/331013765.db2.gz FQZZZKZIMUQCEY-UHFFFAOYSA-N 1 2 264.756 3.250 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(Cl)c(OC)c1 ZINC000451055812 331013766 /nfs/dbraw/zinc/01/37/66/331013766.db2.gz FQZZZKZIMUQCEY-UHFFFAOYSA-N 1 2 264.756 3.250 20 30 CGEDLO C=CCC1(C[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)CCCC1 ZINC000453390496 331127297 /nfs/dbraw/zinc/12/72/97/331127297.db2.gz XZZCIDXASOJOJL-OAHLLOKOSA-N 1 2 297.406 3.015 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(C(=O)OC)ccc1Cl ZINC000511134067 332928118 /nfs/dbraw/zinc/92/81/18/332928118.db2.gz HAELXWVJIICQCG-UHFFFAOYSA-N 1 2 279.767 3.301 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000489431245 332051953 /nfs/dbraw/zinc/05/19/53/332051953.db2.gz DSNQSIYZQMQOMR-NSHDSACASA-N 1 2 264.300 3.274 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000489431245 332051954 /nfs/dbraw/zinc/05/19/54/332051954.db2.gz DSNQSIYZQMQOMR-NSHDSACASA-N 1 2 264.300 3.274 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000491126175 332153779 /nfs/dbraw/zinc/15/37/79/332153779.db2.gz LLTCLHZATAPXAU-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000491126175 332153780 /nfs/dbraw/zinc/15/37/80/332153780.db2.gz LLTCLHZATAPXAU-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)C1CC1 ZINC000491277697 332179503 /nfs/dbraw/zinc/17/95/03/332179503.db2.gz PNRDZXPTMLQLOG-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)C1CC1 ZINC000491277697 332179505 /nfs/dbraw/zinc/17/95/05/332179505.db2.gz PNRDZXPTMLQLOG-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1sccc1OC)c1ccc(F)cc1 ZINC000491349337 332194438 /nfs/dbraw/zinc/19/44/38/332194438.db2.gz HZMZIYZPJGUNCR-CYBMUJFWSA-N 1 2 275.348 3.360 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccc(F)cc1 ZINC000491348973 332194455 /nfs/dbraw/zinc/19/44/55/332194455.db2.gz FWAUNBHOLINPBI-MRXNPFEDSA-N 1 2 273.282 3.135 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000491635495 332256333 /nfs/dbraw/zinc/25/63/33/332256333.db2.gz KNUVIZFXRLIDNW-KRWDZBQOSA-N 1 2 282.293 3.301 20 30 CGEDLO C=CC[C@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000493340510 332436138 /nfs/dbraw/zinc/43/61/38/332436138.db2.gz SRNLLOHKFRRJHL-WBTMPAOCSA-N 1 2 273.380 3.016 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1sccc1Br ZINC000309583601 334703032 /nfs/dbraw/zinc/70/30/32/334703032.db2.gz UOBQYFJDOVBWSM-VIFPVBQESA-N 1 2 298.209 3.044 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(O)ccc1Br ZINC000505864955 332755511 /nfs/dbraw/zinc/75/55/11/332755511.db2.gz TUMOWLPQPIRKKD-UHFFFAOYSA-N 1 2 282.181 3.329 20 30 CGEDLO CC#CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175456020 333025273 /nfs/dbraw/zinc/02/52/73/333025273.db2.gz OEWFXMAKSMPBDX-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO CC#CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175456020 333025275 /nfs/dbraw/zinc/02/52/75/333025275.db2.gz OEWFXMAKSMPBDX-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO Cc1cc(N)nc(SCC#Cc2ccc(Cl)cc2)[nH+]1 ZINC000177472599 333059054 /nfs/dbraw/zinc/05/90/54/333059054.db2.gz JLRRHEGGROAALR-UHFFFAOYSA-N 1 2 289.791 3.164 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185588853 333144495 /nfs/dbraw/zinc/14/44/95/333144495.db2.gz SCNKKMXEPDNUSW-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185588853 333144496 /nfs/dbraw/zinc/14/44/96/333144496.db2.gz SCNKKMXEPDNUSW-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000192184862 333231816 /nfs/dbraw/zinc/23/18/16/333231816.db2.gz LTIGUBGKNABWRY-ZDUSSCGKSA-N 1 2 283.375 3.069 20 30 CGEDLO C=CCCOCCNc1[nH+]ccc2c(OC)cccc21 ZINC000231836974 333330364 /nfs/dbraw/zinc/33/03/64/333330364.db2.gz JIWZSOIUIHZWDL-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)o2)C2CC2)s1 ZINC000174545516 335158702 /nfs/dbraw/zinc/15/87/02/335158702.db2.gz WREVUUOELFJWCN-CYBMUJFWSA-N 1 2 273.361 3.157 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000546630374 334042098 /nfs/dbraw/zinc/04/20/98/334042098.db2.gz VEXSKVUDWOZECB-GOEBONIOSA-N 1 2 297.402 3.228 20 30 CGEDLO CCCCc1nc(C[NH2+][C@H](CC)CC#N)cs1 ZINC000576237715 335175800 /nfs/dbraw/zinc/17/58/00/335175800.db2.gz HESQYIUPHLQVSX-LLVKDONJSA-N 1 2 251.399 3.268 20 30 CGEDLO COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000567708236 334754359 /nfs/dbraw/zinc/75/43/59/334754359.db2.gz KKBRJBXJJRLBMQ-DOMZBBRYSA-N 1 2 291.782 3.061 20 30 CGEDLO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1nccs1 ZINC000121423956 500838226 /nfs/dbraw/zinc/83/82/26/500838226.db2.gz RJGNNCGQEICHEI-UHFFFAOYSA-N 1 2 287.388 3.048 20 30 CGEDLO C=CCN(Cc1c(C)[nH+]c2ccccn21)CC(F)(F)F ZINC000352735446 526331770 /nfs/dbraw/zinc/33/17/70/526331770.db2.gz BVLGSTJAIILGPL-UHFFFAOYSA-N 1 2 283.297 3.193 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000353657400 527506531 /nfs/dbraw/zinc/50/65/31/527506531.db2.gz LHLRBRPYOKTJGX-UHFFFAOYSA-N 1 2 296.374 3.049 20 30 CGEDLO CCO[C@@H](CCNc1cc(C)[nH+]cc1C#N)C1CCCC1 ZINC000425241007 527719206 /nfs/dbraw/zinc/71/92/06/527719206.db2.gz ZRADTMFEKXKJJL-KRWDZBQOSA-N 1 2 287.407 3.081 20 30 CGEDLO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428241170 527769160 /nfs/dbraw/zinc/76/91/60/527769160.db2.gz KGIPZZYAJBXSJK-OAHLLOKOSA-N 1 2 290.382 3.334 20 30 CGEDLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428241170 527769167 /nfs/dbraw/zinc/76/91/67/527769167.db2.gz KGIPZZYAJBXSJK-OAHLLOKOSA-N 1 2 290.382 3.334 20 30 CGEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439422929 527855858 /nfs/dbraw/zinc/85/58/58/527855858.db2.gz OEZIHPAJRFRTIF-OAHLLOKOSA-N 1 2 278.783 3.068 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439422929 527855862 /nfs/dbraw/zinc/85/58/62/527855862.db2.gz OEZIHPAJRFRTIF-OAHLLOKOSA-N 1 2 278.783 3.068 20 30 CGEDLO CC1=C(c2ccco2)C[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000366971111 528093590 /nfs/dbraw/zinc/09/35/90/528093590.db2.gz WSMQTAZQYIDKOE-AWEZNQCLSA-N 1 2 269.348 3.202 20 30 CGEDLO CC1=C(c2ccco2)C[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000366971111 528093593 /nfs/dbraw/zinc/09/35/93/528093593.db2.gz WSMQTAZQYIDKOE-AWEZNQCLSA-N 1 2 269.348 3.202 20 30 CGEDLO CCCO[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425235658 528606819 /nfs/dbraw/zinc/60/68/19/528606819.db2.gz ZMPMXAOTOJKEMS-OAHLLOKOSA-N 1 2 273.380 3.047 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C\c2ccc(C#N)cn2)c[nH+]1 ZINC000358651610 528839987 /nfs/dbraw/zinc/83/99/87/528839987.db2.gz CEXKFHDTDRYCCH-DAXSKMNVSA-N 1 2 278.359 3.363 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729876885 571934764 /nfs/dbraw/zinc/93/47/64/571934764.db2.gz YAZILBCFJYTBBK-AWEZNQCLSA-N 1 2 251.757 3.203 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729876885 571934768 /nfs/dbraw/zinc/93/47/68/571934768.db2.gz YAZILBCFJYTBBK-AWEZNQCLSA-N 1 2 251.757 3.203 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C/c2cc(OC)ccc2O)c1 ZINC000732926400 572494146 /nfs/dbraw/zinc/49/41/46/572494146.db2.gz OJPSVVPAGQKQOE-KZKLBEMASA-N 1 2 299.370 3.460 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@@H]1C[C@H]1Cc1ccccc1 ZINC000741464148 572499956 /nfs/dbraw/zinc/49/99/56/572499956.db2.gz LGYKPXYBBPELOU-SUBKYJBBSA-N 1 2 251.329 3.442 20 30 CGEDLO Oc1cccc(/C=[NH+]\[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC000741465029 572500737 /nfs/dbraw/zinc/50/07/37/572500737.db2.gz SCFFNJOWKBUCDQ-UCEVQLITSA-N 1 2 267.328 3.148 20 30 CGEDLO Oc1cccc(/C=[NH+]\C[C@H]2CCc3ccccc3C2)c1O ZINC000735228974 572706745 /nfs/dbraw/zinc/70/67/45/572706745.db2.gz MPPAGHAMUUEZHA-QXGSTRBFSA-N 1 2 281.355 3.322 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000744209088 572723444 /nfs/dbraw/zinc/72/34/44/572723444.db2.gz SJBLYJGAMXYVMP-UHFFFAOYSA-N 1 2 296.320 3.472 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000744209088 572723446 /nfs/dbraw/zinc/72/34/46/572723446.db2.gz SJBLYJGAMXYVMP-UHFFFAOYSA-N 1 2 296.320 3.472 20 30 CGEDLO NC(=[NH+]OCc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000735488152 572725328 /nfs/dbraw/zinc/72/53/28/572725328.db2.gz GQHDTVJCMGTVGW-UHFFFAOYSA-N 1 2 296.704 3.455 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000746457724 572872121 /nfs/dbraw/zinc/87/21/21/572872121.db2.gz PFGRSGXJNRFFPM-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000746457724 572872124 /nfs/dbraw/zinc/87/21/24/572872124.db2.gz PFGRSGXJNRFFPM-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO CCC(CC)[C@H](CC/[NH+]=C/c1ccc(O)c(O)c1O)OC ZINC000746522537 572876440 /nfs/dbraw/zinc/87/64/40/572876440.db2.gz NLRYUNDAXNCAJB-FBJMNJBLSA-N 1 2 295.379 3.064 20 30 CGEDLO CCCCCCCCOCC(=O)Nc1cc(C)[nH+]cc1C ZINC000747112788 572910608 /nfs/dbraw/zinc/91/06/08/572910608.db2.gz SNZOUHXLFHDRRV-UHFFFAOYSA-N 1 2 292.423 3.436 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(O)c3)n21 ZINC000748997173 572987844 /nfs/dbraw/zinc/98/78/44/572987844.db2.gz AIGFDVYIEXYQND-CMDGGOBGSA-N 1 2 278.311 3.244 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H](C)c2ccncc2)c1 ZINC000749845707 573047696 /nfs/dbraw/zinc/04/76/96/573047696.db2.gz TVRKHSQHKHOIAJ-HCZVKUGISA-N 1 2 284.359 3.409 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2CCC(OC)CC2)c1O ZINC000749931066 573062426 /nfs/dbraw/zinc/06/24/26/573062426.db2.gz PCYIXQCHNCINJQ-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)sc2C)C1 ZINC000950793856 613296119 /nfs/dbraw/zinc/29/61/19/613296119.db2.gz PIVRKPUQFKHYDC-UHFFFAOYSA-N 1 2 292.448 3.087 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970288394 613372149 /nfs/dbraw/zinc/37/21/49/613372149.db2.gz RELNJKVDOHYBFR-JSGCOSHPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000981781901 613373253 /nfs/dbraw/zinc/37/32/53/613373253.db2.gz JXFNODJHFFKSDM-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000981781901 613373254 /nfs/dbraw/zinc/37/32/54/613373254.db2.gz JXFNODJHFFKSDM-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000950984409 613656499 /nfs/dbraw/zinc/65/64/99/613656499.db2.gz QPJKUCWJGFRFPU-UHFFFAOYSA-N 1 2 298.430 3.205 20 30 CGEDLO CCOc1ccc(O)c(/C=N/Cc2ccn3cc[nH+]c3c2)c1 ZINC000177694382 618018556 /nfs/dbraw/zinc/01/85/56/618018556.db2.gz ATZDCXVHSWRTCV-LDADJPATSA-N 1 2 295.342 3.058 20 30 CGEDLO CC(=O)Nc1ccc(CC/[NH+]=C\c2ccccc2O)cc1 ZINC000255361117 618219764 /nfs/dbraw/zinc/21/97/64/618219764.db2.gz SHODLSOHDSPULU-PDGQHHTCSA-N 1 2 282.343 3.012 20 30 CGEDLO C#CC[N@@H+](Cc1snnc1C)[C@@H]1CCCc2ccccc21 ZINC000933421510 618229582 /nfs/dbraw/zinc/22/95/82/618229582.db2.gz VYGCDBCLTJTXDI-MRXNPFEDSA-N 1 2 297.427 3.359 20 30 CGEDLO C#CC[N@H+](Cc1snnc1C)[C@@H]1CCCc2ccccc21 ZINC000933421510 618229583 /nfs/dbraw/zinc/22/95/83/618229583.db2.gz VYGCDBCLTJTXDI-MRXNPFEDSA-N 1 2 297.427 3.359 20 30 CGEDLO CC(C)n1nccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933772269 618324962 /nfs/dbraw/zinc/32/49/62/618324962.db2.gz NWLKHHIXPCXCSL-UHFFFAOYSA-N 1 2 274.393 3.029 20 30 CGEDLO CC(C)n1nccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933772269 618324972 /nfs/dbraw/zinc/32/49/72/618324972.db2.gz NWLKHHIXPCXCSL-UHFFFAOYSA-N 1 2 274.393 3.029 20 30 CGEDLO COCCC1(C/[NH+]=C\c2cc(OC)ccc2O)CCCC1 ZINC000255510893 618638019 /nfs/dbraw/zinc/63/80/19/618638019.db2.gz NBUXSAKGDJQACK-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc(C#N)c1O ZINC000926431206 618669815 /nfs/dbraw/zinc/66/98/15/618669815.db2.gz LWOSPHRJXBFZOJ-DOMZBBRYSA-N 1 2 290.432 3.448 20 30 CGEDLO CCc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)o1 ZINC000255559481 618679760 /nfs/dbraw/zinc/67/97/60/618679760.db2.gz NLSXYRWRQLOIEI-VURMDHGXSA-N 1 2 266.300 3.386 20 30 CGEDLO COCCC1(C/[NH+]=C\c2ccccc2O)CCCC1 ZINC000255572539 618719199 /nfs/dbraw/zinc/71/91/99/618719199.db2.gz SDJRQMIPJILMKV-ATVHPVEESA-N 1 2 261.365 3.408 20 30 CGEDLO CC[C@H]([NH2+]CC(F)(F)CC)c1cccc(C#N)c1O ZINC000926759617 618869116 /nfs/dbraw/zinc/86/91/16/618869116.db2.gz VFDOWXMSMKEMAN-LBPRGKRZSA-N 1 2 268.307 3.350 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000893879672 619326050 /nfs/dbraw/zinc/32/60/50/619326050.db2.gz CLKAPAKPUSJXPV-UHFFFAOYSA-N 1 2 268.307 3.042 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000894102160 619374415 /nfs/dbraw/zinc/37/44/15/619374415.db2.gz LHJJFAJVZQYPEV-AWEZNQCLSA-N 1 2 298.415 3.310 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185332864 625344501 /nfs/dbraw/zinc/34/45/01/625344501.db2.gz PPPOVWLJDWESBV-SNVBAGLBSA-N 1 2 287.226 3.401 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894446146 619540258 /nfs/dbraw/zinc/54/02/58/619540258.db2.gz SGJOTUZDRLKRDO-WUTVXBCWSA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894446146 619540261 /nfs/dbraw/zinc/54/02/61/619540261.db2.gz SGJOTUZDRLKRDO-WUTVXBCWSA-N 1 2 258.340 3.465 20 30 CGEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896502412 620018470 /nfs/dbraw/zinc/01/84/70/620018470.db2.gz KDQASWUXSXYJNH-MRXNPFEDSA-N 1 2 283.375 3.105 20 30 CGEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896502412 620018473 /nfs/dbraw/zinc/01/84/73/620018473.db2.gz KDQASWUXSXYJNH-MRXNPFEDSA-N 1 2 283.375 3.105 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896503601 620018499 /nfs/dbraw/zinc/01/84/99/620018499.db2.gz LRIANKXQYBXVPH-ODDCISTRSA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896503601 620018500 /nfs/dbraw/zinc/01/85/00/620018500.db2.gz LRIANKXQYBXVPH-ODDCISTRSA-N 1 2 285.347 3.234 20 30 CGEDLO N#Cc1ccc(C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000896865668 620080059 /nfs/dbraw/zinc/08/00/59/620080059.db2.gz YLVFVDZCRPQFLP-UHFFFAOYSA-N 1 2 263.344 3.337 20 30 CGEDLO Cc1cccc(CO[NH+]=C(N)c2ccc(Cl)cc2)c1 ZINC000022183609 620219486 /nfs/dbraw/zinc/21/94/86/620219486.db2.gz NORANUURULPKLN-UHFFFAOYSA-N 1 2 274.751 3.486 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(C#N)c1O ZINC000925260377 620277225 /nfs/dbraw/zinc/27/72/25/620277225.db2.gz YAOJOQDKTBUJAT-TZMCWYRMSA-N 1 2 276.405 3.200 20 30 CGEDLO Cc1cccc2ncc(C[N@H+](C)Cc3cc(C#N)cs3)n21 ZINC000897625465 620412375 /nfs/dbraw/zinc/41/23/75/620412375.db2.gz JEFGZXDWIWBOPW-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO Cc1cccc2ncc(C[N@@H+](C)Cc3cc(C#N)cs3)n21 ZINC000897625465 620412377 /nfs/dbraw/zinc/41/23/77/620412377.db2.gz JEFGZXDWIWBOPW-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1cccc(C#N)c1O ZINC000924694756 620565328 /nfs/dbraw/zinc/56/53/28/620565328.db2.gz HXGLCBJTKRUJCB-MRXNPFEDSA-N 1 2 281.359 3.208 20 30 CGEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]cn2CC)cc1 ZINC000901427506 620883600 /nfs/dbraw/zinc/88/36/00/620883600.db2.gz KSSGBLSBVAQSKA-YFHOEESVSA-N 1 2 270.332 3.198 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)C1CCCCC1 ZINC000901444912 620889498 /nfs/dbraw/zinc/88/94/98/620889498.db2.gz JVACTQVQAWBFOC-KTKRTIGZSA-N 1 2 254.333 3.497 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc2c(c1)COC2 ZINC000901477033 620891901 /nfs/dbraw/zinc/89/19/01/620891901.db2.gz JNEWCOOBRGRMIT-AATRIKPKSA-N 1 2 282.343 3.390 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCOc2cc(F)ccc2C1=O ZINC000901488639 620898088 /nfs/dbraw/zinc/89/80/88/620898088.db2.gz DRVDHLMIIYGMKO-YRNVUSSQSA-N 1 2 286.306 3.091 20 30 CGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000901489365 620898956 /nfs/dbraw/zinc/89/89/56/620898956.db2.gz KEHYRBSQWWFEKH-JXMROGBWSA-N 1 2 284.359 3.494 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc2c(c1)CCCO2 ZINC000901539190 620919842 /nfs/dbraw/zinc/91/98/42/620919842.db2.gz HUBBTNMCDXUHJL-SREVYHEPSA-N 1 2 282.343 3.124 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccc(OC)cc2C[C@H]1C ZINC000901577500 620944136 /nfs/dbraw/zinc/94/41/36/620944136.db2.gz AMYGEUCAHIGCTG-AXIYWZQUSA-N 1 2 296.370 3.370 20 30 CGEDLO CCCn1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000902884715 621483460 /nfs/dbraw/zinc/48/34/60/621483460.db2.gz LEKHPISGPBSAKV-GOEBONIOSA-N 1 2 297.406 3.384 20 30 CGEDLO CC1(C)Cc2occc2[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000903265289 621645084 /nfs/dbraw/zinc/64/50/84/621645084.db2.gz ZNMCTVFRPULDLV-GFCCVEGCSA-N 1 2 287.388 3.411 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1cccc(C#N)c1O ZINC000903387303 621727073 /nfs/dbraw/zinc/72/70/73/621727073.db2.gz GQVSFDYGCRBPFU-WFASDCNBSA-N 1 2 286.375 3.016 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907230239 622288071 /nfs/dbraw/zinc/28/80/71/622288071.db2.gz DVECAYUJLZFPMV-LBPRGKRZSA-N 1 2 260.381 3.481 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983296 623770726 /nfs/dbraw/zinc/77/07/26/623770726.db2.gz OJPSFJNCEBGEBM-DZGCQCFKSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983296 623770738 /nfs/dbraw/zinc/77/07/38/623770738.db2.gz OJPSFJNCEBGEBM-DZGCQCFKSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993775144 624062193 /nfs/dbraw/zinc/06/21/93/624062193.db2.gz NKDSPIVKXKJBHO-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993775144 624062201 /nfs/dbraw/zinc/06/22/01/624062201.db2.gz NKDSPIVKXKJBHO-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO COCCC1(C/[NH+]=C/c2ccccc2O)CCCC1 ZINC000155032496 624414249 /nfs/dbraw/zinc/41/42/49/624414249.db2.gz SDJRQMIPJILMKV-SFQUDFHCSA-N 1 2 261.365 3.408 20 30 CGEDLO Cc1cc(C(N)=[NH+]OC/C=C\c2ccccc2)ccc1F ZINC000920401365 624489314 /nfs/dbraw/zinc/48/93/14/624489314.db2.gz VYBJOQXZZRYEHB-YVMONPNESA-N 1 2 284.334 3.484 20 30 CGEDLO C[C@@H]1CCC[C@H](C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000920174034 624454589 /nfs/dbraw/zinc/45/45/89/624454589.db2.gz JALFZZPDEHKPOB-BWQAPMFPSA-N 1 2 263.337 3.049 20 30 CGEDLO C=CCCC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC000921646748 625800907 /nfs/dbraw/zinc/80/09/07/625800907.db2.gz HZWGANYZHRNJTP-MRXNPFEDSA-N 1 2 297.402 3.474 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)[C@H](C)CC#N)cc2)[nH+]c1C ZINC000921655334 625810428 /nfs/dbraw/zinc/81/04/28/625810428.db2.gz QXPQGFNRLIJZJF-SNVBAGLBSA-N 1 2 282.347 3.182 20 30 CGEDLO CC(C)([NH2+]Cc1csc(C#N)c1)c1nccs1 ZINC000921750378 625863513 /nfs/dbraw/zinc/86/35/13/625863513.db2.gz VJRULUMGZWFYMT-UHFFFAOYSA-N 1 2 263.391 3.101 20 30 CGEDLO CC(CSC(C)(C)C)=[NH+]n1cc(Br)cn1 ZINC000752742893 626437143 /nfs/dbraw/zinc/43/71/43/626437143.db2.gz NFFKLAXHCMUTIM-UHFFFAOYSA-N 1 2 290.230 3.401 20 30 CGEDLO C#CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756759140 626730033 /nfs/dbraw/zinc/73/00/33/626730033.db2.gz UCSDRUSMOKIUAE-JTQLQIEISA-N 1 2 253.292 3.125 20 30 CGEDLO O=C1c2cccc3c2[C@@H](CCC3)/C1=C\c1[nH]cc[nH+]1 ZINC000763290315 627149463 /nfs/dbraw/zinc/14/94/63/627149463.db2.gz PQUALJKNEOTACW-GJSJWPQCSA-N 1 2 250.301 3.110 20 30 CGEDLO FC(F)CN[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763363433 627153821 /nfs/dbraw/zinc/15/38/21/627153821.db2.gz MBNPEYOSAQFGTI-UHFFFAOYSA-N 1 2 287.741 3.129 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1ccccc1C(F)(F)F ZINC000764648928 627216367 /nfs/dbraw/zinc/21/63/67/627216367.db2.gz NBDCCSZYWKQBIO-UHFFFAOYSA-N 1 2 280.253 3.129 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000768153245 627463553 /nfs/dbraw/zinc/46/35/53/627463553.db2.gz BJLIPBSNFCOXCS-UHFFFAOYSA-N 1 2 270.376 3.070 20 30 CGEDLO C#CCOc1ccccc1C[N@H+](CCC#N)CC(C)C ZINC000768153245 627463554 /nfs/dbraw/zinc/46/35/54/627463554.db2.gz BJLIPBSNFCOXCS-UHFFFAOYSA-N 1 2 270.376 3.070 20 30 CGEDLO C#CCCN(Cc1c[nH+]c2ccc(C)cn12)CC(F)(F)F ZINC000768533657 627484534 /nfs/dbraw/zinc/48/45/34/627484534.db2.gz ITDODFZKVKUDOK-UHFFFAOYSA-N 1 2 295.308 3.030 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc2c(c1)COC2 ZINC000769610392 627569143 /nfs/dbraw/zinc/56/91/43/627569143.db2.gz PNMBXUAMRKYUFD-VOTSOKGWSA-N 1 2 290.322 3.261 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769608061 627569454 /nfs/dbraw/zinc/56/94/54/627569454.db2.gz OMWPRFZNFCAOOW-KAMYIIQDSA-N 1 2 274.323 3.465 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccco3)n21 ZINC000769771563 627577029 /nfs/dbraw/zinc/57/70/29/627577029.db2.gz QMTJQRJGXKDWII-BQYQJAHWSA-N 1 2 252.273 3.132 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccccc1 ZINC000775397987 628090878 /nfs/dbraw/zinc/09/08/78/628090878.db2.gz CXYVUKVILCQFEQ-INIZCTEOSA-N 1 2 280.371 3.408 20 30 CGEDLO CCC[C@@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000775701376 628127677 /nfs/dbraw/zinc/12/76/77/628127677.db2.gz LILFRLABHSGWDS-HKUYNNGSSA-N 1 2 297.446 3.242 20 30 CGEDLO CCC[C@@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000775701376 628127678 /nfs/dbraw/zinc/12/76/78/628127678.db2.gz LILFRLABHSGWDS-HKUYNNGSSA-N 1 2 297.446 3.242 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775732432 628130691 /nfs/dbraw/zinc/13/06/91/628130691.db2.gz XBLLVTOWVJZUBD-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775732432 628130693 /nfs/dbraw/zinc/13/06/93/628130693.db2.gz XBLLVTOWVJZUBD-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000775892325 628146727 /nfs/dbraw/zinc/14/67/27/628146727.db2.gz RZJCTHBZEVWBAY-HNNXBMFYSA-N 1 2 263.768 3.260 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000775892325 628146728 /nfs/dbraw/zinc/14/67/28/628146728.db2.gz RZJCTHBZEVWBAY-HNNXBMFYSA-N 1 2 263.768 3.260 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000776104783 628167201 /nfs/dbraw/zinc/16/72/01/628167201.db2.gz KXGMNNFDDRRZIZ-CVEARBPZSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000776104783 628167203 /nfs/dbraw/zinc/16/72/03/628167203.db2.gz KXGMNNFDDRRZIZ-CVEARBPZSA-N 1 2 291.366 3.298 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)Cc1ccn(-c2ccccc2)n1 ZINC000776580708 628220977 /nfs/dbraw/zinc/22/09/77/628220977.db2.gz ZDZPLWCPFKVRBP-UHFFFAOYSA-N 1 2 282.391 3.244 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1ccn(-c2ccccc2)n1 ZINC000776580708 628220978 /nfs/dbraw/zinc/22/09/78/628220978.db2.gz ZDZPLWCPFKVRBP-UHFFFAOYSA-N 1 2 282.391 3.244 20 30 CGEDLO CC(=[NH+]OCc1cccnc1)c1ccc(N)cc1Cl ZINC000782908003 628667368 /nfs/dbraw/zinc/66/73/68/628667368.db2.gz ORLATTRMBBDKJK-UHFFFAOYSA-N 1 2 275.739 3.258 20 30 CGEDLO N#CCc1ccc(CO[NH+]=C(N)Cc2cccc(F)c2)cc1 ZINC000783151007 628681568 /nfs/dbraw/zinc/68/15/68/628681568.db2.gz HYHZTJJLOQAYQW-UHFFFAOYSA-N 1 2 297.333 3.133 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805746575 628717478 /nfs/dbraw/zinc/71/74/78/628717478.db2.gz BCBHJDPDHUDIDE-GFCCVEGCSA-N 1 2 267.170 3.127 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000805746575 628717480 /nfs/dbraw/zinc/71/74/80/628717480.db2.gz BCBHJDPDHUDIDE-GFCCVEGCSA-N 1 2 267.170 3.127 20 30 CGEDLO C(=NOCc1ccccc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000783821964 628749442 /nfs/dbraw/zinc/74/94/42/628749442.db2.gz RITNLCKQNQBQES-UHFFFAOYSA-N 1 2 283.356 3.485 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2F)cn1 ZINC000790136702 629185651 /nfs/dbraw/zinc/18/56/51/629185651.db2.gz UEIGWLZFJRHJIO-UHFFFAOYSA-N 1 2 290.317 3.262 20 30 CGEDLO CC[C@@H](C)NN=Cc1ccc(C=[NH+]N[C@@H](C)CC)cc1 ZINC000790181919 629189764 /nfs/dbraw/zinc/18/97/64/629189764.db2.gz ANIILAYXUJHTDP-OKILXGFUSA-N 1 2 274.412 3.131 20 30 CGEDLO CC[C@@H](C)N[NH+]=Cc1ccc(C=NN[C@@H](C)CC)cc1 ZINC000790181919 629189768 /nfs/dbraw/zinc/18/97/68/629189768.db2.gz ANIILAYXUJHTDP-OKILXGFUSA-N 1 2 274.412 3.131 20 30 CGEDLO CCC(=NNCCCn1cc[nH+]c1)c1cc(C)ccc1C ZINC000863126159 629481102 /nfs/dbraw/zinc/48/11/02/629481102.db2.gz FIMPHKBJDPPVNM-UHFFFAOYSA-N 1 2 284.407 3.294 20 30 CGEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)C2 ZINC000794709256 629570371 /nfs/dbraw/zinc/57/03/71/629570371.db2.gz XQZUTXJDMDFGKA-MDWZMJQESA-N 1 2 298.411 3.336 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)nc1 ZINC000125762497 634790466 /nfs/dbraw/zinc/79/04/66/634790466.db2.gz WCTJENZVLWTAAU-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(Cl)nc1 ZINC000125762497 634790473 /nfs/dbraw/zinc/79/04/73/634790473.db2.gz WCTJENZVLWTAAU-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000799725157 630225377 /nfs/dbraw/zinc/22/53/77/630225377.db2.gz VBIOIUZPISIUQN-QSJFSLAZSA-N 1 2 299.418 3.404 20 30 CGEDLO C=CC(C)(C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000878223304 635420011 /nfs/dbraw/zinc/42/00/11/635420011.db2.gz NIWQLBYZLOUDKR-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO COc1cc(F)c([C@@H](C)[NH2+]CC(C)(C)C#N)cc1OC ZINC000809578275 630753315 /nfs/dbraw/zinc/75/33/15/630753315.db2.gz KHMPZHDGCSLKNG-SNVBAGLBSA-N 1 2 280.343 3.043 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cn(C)nc1CC)c1ccc(Cl)cc1 ZINC000811517229 631082310 /nfs/dbraw/zinc/08/23/10/631082310.db2.gz LOODWHJWGJVXFT-HNNXBMFYSA-N 1 2 287.794 3.100 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4ccc(C#N)cc4C3=O)n21 ZINC000811692954 631110339 /nfs/dbraw/zinc/11/03/39/631110339.db2.gz DKHKLIZHADWFPN-OQLLNIDSSA-N 1 2 299.333 3.337 20 30 CGEDLO N#Cc1ccc2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)C2 ZINC000811692918 631110451 /nfs/dbraw/zinc/11/04/51/631110451.db2.gz DAEZFCSQIKARAS-UVTDQMKNSA-N 1 2 285.306 3.028 20 30 CGEDLO CC(=[NH+][N-]c1cc[nH+]c2ccccc12)c1cc(N)ccc1F ZINC000814841508 631653172 /nfs/dbraw/zinc/65/31/72/631653172.db2.gz PVDHRTAKXFLLTC-UHFFFAOYSA-N 1 2 294.333 3.214 20 30 CGEDLO C=CCC(F)(F)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000814960858 631698451 /nfs/dbraw/zinc/69/84/51/631698451.db2.gz WWZYUSRUYVNPSF-UHFFFAOYSA-N 1 2 277.274 3.022 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(CC)cn1 ZINC000815027306 631704487 /nfs/dbraw/zinc/70/44/87/631704487.db2.gz BUSLRQGCBWGHLK-UHFFFAOYSA-N 1 2 282.362 3.419 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(CC)cn1 ZINC000815027306 631704494 /nfs/dbraw/zinc/70/44/94/631704494.db2.gz BUSLRQGCBWGHLK-UHFFFAOYSA-N 1 2 282.362 3.419 20 30 CGEDLO C=CCC(F)(F)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000815311790 631756071 /nfs/dbraw/zinc/75/60/71/631756071.db2.gz YOFLDCHULZSZCT-UHFFFAOYSA-N 1 2 292.285 3.127 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819408609 632453109 /nfs/dbraw/zinc/45/31/09/632453109.db2.gz JJPATRSUXWSDGT-GOSISDBHSA-N 1 2 295.386 3.078 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332239 632752666 /nfs/dbraw/zinc/75/26/66/632752666.db2.gz MHGASNKLISGRFO-GFCCVEGCSA-N 1 2 281.197 3.170 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821332239 632752669 /nfs/dbraw/zinc/75/26/69/632752669.db2.gz MHGASNKLISGRFO-GFCCVEGCSA-N 1 2 281.197 3.170 20 30 CGEDLO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269197 633054480 /nfs/dbraw/zinc/05/44/80/633054480.db2.gz OXKQWOCYMWDQRI-QWRGUYRKSA-N 1 2 299.374 3.151 20 30 CGEDLO C[C@H]([NH2+]CCCNc1ccccc1)c1cccc(C#N)c1O ZINC000866270615 633055925 /nfs/dbraw/zinc/05/59/25/633055925.db2.gz ZYZCMOYKOYYGLM-AWEZNQCLSA-N 1 2 295.386 3.417 20 30 CGEDLO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866314122 633079401 /nfs/dbraw/zinc/07/94/01/633079401.db2.gz KIINEUVKEKLHJX-JQWIXIFHSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cccc(C#N)c1O ZINC000866345888 633091339 /nfs/dbraw/zinc/09/13/39/633091339.db2.gz GJXIIPMLIYZSIQ-RISCZKNCSA-N 1 2 256.349 3.247 20 30 CGEDLO CCSCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866352327 633094083 /nfs/dbraw/zinc/09/40/83/633094083.db2.gz IOPJHNDWYQAOJL-LLVKDONJSA-N 1 2 264.394 3.058 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cccc(C#N)c1O ZINC000866375711 633110757 /nfs/dbraw/zinc/11/07/57/633110757.db2.gz YMVWRHVERCZPCK-ZDUSSCGKSA-N 1 2 295.386 3.287 20 30 CGEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)CC(F)F ZINC000866380401 633112925 /nfs/dbraw/zinc/11/29/25/633112925.db2.gz DFADPYCWMRUCQR-ZJUUUORDSA-N 1 2 268.307 3.206 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866394963 633121228 /nfs/dbraw/zinc/12/12/28/633121228.db2.gz YTGYLBZIKPQJPA-IAQYHMDHSA-N 1 2 258.365 3.349 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000829809679 633793218 /nfs/dbraw/zinc/79/32/18/633793218.db2.gz DTBGILOYJSISOW-SNVBAGLBSA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000829809679 633793222 /nfs/dbraw/zinc/79/32/22/633793222.db2.gz DTBGILOYJSISOW-SNVBAGLBSA-N 1 2 254.786 3.032 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000871863008 633901286 /nfs/dbraw/zinc/90/12/86/633901286.db2.gz QRPKWNISWBBEQN-UHFFFAOYSA-N 1 2 296.330 3.285 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000840713545 635040432 /nfs/dbraw/zinc/04/04/32/635040432.db2.gz SPDJAXNZMWVJEG-YSDQTKNFSA-N 1 2 277.364 3.023 20 30 CGEDLO C#C[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(F)cc1 ZINC000877544701 635081745 /nfs/dbraw/zinc/08/17/45/635081745.db2.gz UTMDSZIUKLONSM-YVEFUNNKSA-N 1 2 283.350 3.258 20 30 CGEDLO COc1cnc(F)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000877598320 635106832 /nfs/dbraw/zinc/10/68/32/635106832.db2.gz DWEZIVONKFSXFN-GFCCVEGCSA-N 1 2 299.349 3.294 20 30 CGEDLO COc1cnc(F)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000877598320 635106833 /nfs/dbraw/zinc/10/68/33/635106833.db2.gz DWEZIVONKFSXFN-GFCCVEGCSA-N 1 2 299.349 3.294 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034177 635331793 /nfs/dbraw/zinc/33/17/93/635331793.db2.gz ANMMYBXVGMCWKB-TVQRCGJNSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034177 635331800 /nfs/dbraw/zinc/33/18/00/635331800.db2.gz ANMMYBXVGMCWKB-TVQRCGJNSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C#N)c1 ZINC000845283221 636019428 /nfs/dbraw/zinc/01/94/28/636019428.db2.gz AGAFKXIYFAQBOK-QWHCGFSZSA-N 1 2 283.331 3.010 20 30 CGEDLO C[C@H](CC(=O)O[C@@H](C)c1cccc(C#N)c1)n1cc[nH+]c1 ZINC000845283220 636019745 /nfs/dbraw/zinc/01/97/45/636019745.db2.gz AGAFKXIYFAQBOK-OLZOCXBDSA-N 1 2 283.331 3.010 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000128543569 636031683 /nfs/dbraw/zinc/03/16/83/636031683.db2.gz PTXHZYDFBYRGAS-UHFFFAOYSA-N 1 2 288.391 3.092 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000848416724 636571294 /nfs/dbraw/zinc/57/12/94/636571294.db2.gz VNDDBDUVYUDHMB-UKRRQHHQSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1cccc(C2CC2)c1 ZINC000848416297 636571431 /nfs/dbraw/zinc/57/14/31/636571431.db2.gz GGPVLAGUULJDGE-UHFFFAOYSA-N 1 2 282.391 3.164 20 30 CGEDLO C[C@@H]1C(=NNCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000848417553 636572794 /nfs/dbraw/zinc/57/27/94/636572794.db2.gz AZDDHMHZEIAALL-HOCLYGCPSA-N 1 2 282.391 3.042 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(F)cc1Cl ZINC000848418368 636573423 /nfs/dbraw/zinc/57/34/23/636573423.db2.gz IXCVTBIBBDJOTB-UHFFFAOYSA-N 1 2 294.761 3.080 20 30 CGEDLO CC(=O)c1ccc(C#N)cc1NCCc1[nH+]cc(C)cc1C ZINC000848755803 636652440 /nfs/dbraw/zinc/65/24/40/636652440.db2.gz GKXVHNLOOWSSFB-UHFFFAOYSA-N 1 2 293.370 3.427 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(C#N)c1O ZINC000883358902 636702541 /nfs/dbraw/zinc/70/25/41/636702541.db2.gz SZFVBVBNJGVDQM-JSGCOSHPSA-N 1 2 286.375 3.016 20 30 CGEDLO CCSCc1ccc[nH+]c1NCc1nc(C#N)cs1 ZINC000883377515 636719428 /nfs/dbraw/zinc/71/94/28/636719428.db2.gz JXRKVRPNFNTGLI-UHFFFAOYSA-N 1 2 290.417 3.275 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000136120252 637288402 /nfs/dbraw/zinc/28/84/02/637288402.db2.gz QIXVRFNKQGBKRC-UHFFFAOYSA-N 1 2 283.213 3.093 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000136120252 637288406 /nfs/dbraw/zinc/28/84/06/637288406.db2.gz QIXVRFNKQGBKRC-UHFFFAOYSA-N 1 2 283.213 3.093 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000852102768 637597996 /nfs/dbraw/zinc/59/79/96/637597996.db2.gz PMSNFNAPJQSUFP-PXAZEXFGSA-N 1 2 299.374 3.198 20 30 CGEDLO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)COC ZINC000852357464 637642474 /nfs/dbraw/zinc/64/24/74/637642474.db2.gz CKRXXDUARAFESU-NSHDSACASA-N 1 2 298.770 3.271 20 30 CGEDLO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)COC ZINC000852357464 637642482 /nfs/dbraw/zinc/64/24/82/637642482.db2.gz CKRXXDUARAFESU-NSHDSACASA-N 1 2 298.770 3.271 20 30 CGEDLO CC[N@@H+]1CC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000887269913 637786531 /nfs/dbraw/zinc/78/65/31/637786531.db2.gz DFGSGMQWOWOBIQ-JRUYLCMPSA-N 1 2 287.190 3.212 20 30 CGEDLO CC[N@H+]1CC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000887269913 637786538 /nfs/dbraw/zinc/78/65/38/637786538.db2.gz DFGSGMQWOWOBIQ-JRUYLCMPSA-N 1 2 287.190 3.212 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(F)n1 ZINC000853453959 637846734 /nfs/dbraw/zinc/84/67/34/637846734.db2.gz ILMRYZSPKWEFGA-UHFFFAOYSA-N 1 2 285.322 3.020 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000853689750 637892307 /nfs/dbraw/zinc/89/23/07/637892307.db2.gz LPVZFYPIVYYVMS-KKUMJFAQSA-N 1 2 288.391 3.099 20 30 CGEDLO CC[C@@H]([NH2+]CC1(COC)CCC1)c1cccc(C#N)c1O ZINC000926361293 638766173 /nfs/dbraw/zinc/76/61/73/638766173.db2.gz LOCCCXIOELPHET-OAHLLOKOSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1cccc(C#N)c1O ZINC000926561341 638785346 /nfs/dbraw/zinc/78/53/46/638785346.db2.gz GLPPJCGEPJOZBA-LZWOXQAQSA-N 1 2 288.391 3.261 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H]1CCCOC1 ZINC000858653267 639007124 /nfs/dbraw/zinc/00/71/24/639007124.db2.gz RSGSJTVBXWTDQR-HNNXBMFYSA-N 1 2 288.391 3.102 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2)o1 ZINC000930693739 639054637 /nfs/dbraw/zinc/05/46/37/639054637.db2.gz SSVNKHANTKXERS-ZDUSSCGKSA-N 1 2 255.321 3.123 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000932147447 639275311 /nfs/dbraw/zinc/27/53/11/639275311.db2.gz DNIAFKVMGJCLGX-QEJZJMRPSA-N 1 2 276.330 3.271 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000932147447 639275316 /nfs/dbraw/zinc/27/53/16/639275316.db2.gz DNIAFKVMGJCLGX-QEJZJMRPSA-N 1 2 276.330 3.271 20 30 CGEDLO C=CC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932252203 639303213 /nfs/dbraw/zinc/30/32/13/639303213.db2.gz ZKAGBHVDRVEOMM-LBPRGKRZSA-N 1 2 267.170 3.167 20 30 CGEDLO C=CC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932252203 639303221 /nfs/dbraw/zinc/30/32/21/639303221.db2.gz ZKAGBHVDRVEOMM-LBPRGKRZSA-N 1 2 267.170 3.167 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626705 639470543 /nfs/dbraw/zinc/47/05/43/639470543.db2.gz FIKSAGKCQCHCPS-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626705 639470548 /nfs/dbraw/zinc/47/05/48/639470548.db2.gz FIKSAGKCQCHCPS-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C#CC[N@@H+](Cc1nc(CCC(C)C)no1)C1CCCC1 ZINC000155904844 639956723 /nfs/dbraw/zinc/95/67/23/639956723.db2.gz FHFPSQISQMOQJT-UHFFFAOYSA-N 1 2 275.396 3.036 20 30 CGEDLO C#CC[N@H+](Cc1nc(CCC(C)C)no1)C1CCCC1 ZINC000155904844 639956727 /nfs/dbraw/zinc/95/67/27/639956727.db2.gz FHFPSQISQMOQJT-UHFFFAOYSA-N 1 2 275.396 3.036 20 30 CGEDLO COC[C@@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000194469166 640533801 /nfs/dbraw/zinc/53/38/01/640533801.db2.gz VPYFHNRMFGPAET-VAKHEIKFSA-N 1 2 257.333 3.247 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008407954 640950985 /nfs/dbraw/zinc/95/09/85/640950985.db2.gz WJOQMNDYMLEESU-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008407954 640950988 /nfs/dbraw/zinc/95/09/88/640950988.db2.gz WJOQMNDYMLEESU-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015217334 640978001 /nfs/dbraw/zinc/97/80/01/640978001.db2.gz XJQKPICYOCEDLE-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015217334 640978007 /nfs/dbraw/zinc/97/80/07/640978007.db2.gz XJQKPICYOCEDLE-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015217336 640978221 /nfs/dbraw/zinc/97/82/21/640978221.db2.gz XJQKPICYOCEDLE-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015217336 640978224 /nfs/dbraw/zinc/97/82/24/640978224.db2.gz XJQKPICYOCEDLE-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016370986 640996527 /nfs/dbraw/zinc/99/65/27/640996527.db2.gz GYLVJCTVPYWWGL-CXOJTPOUSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016370986 640996532 /nfs/dbraw/zinc/99/65/32/640996532.db2.gz GYLVJCTVPYWWGL-CXOJTPOUSA-N 1 2 298.858 3.146 20 30 CGEDLO COc1cc2c[nH+]c(NC3=CC(=O)CCC3)cc2cc1OC ZINC001155710283 805607398 /nfs/dbraw/zinc/60/73/98/805607398.db2.gz SEIMAWDJJVMXNM-UHFFFAOYSA-N 1 2 298.342 3.301 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCCn3cccc3)c2c1 ZINC001156300411 805672673 /nfs/dbraw/zinc/67/26/73/805672673.db2.gz XUKNAQSMHYNCGE-UHFFFAOYSA-N 1 2 262.316 3.020 20 30 CGEDLO Cc1nc2[nH]ccc2c(NC(C)(C)c2ccc(C#N)cc2)[nH+]1 ZINC001156429605 805690527 /nfs/dbraw/zinc/69/05/27/805690527.db2.gz AVNJHTYSHSDCCN-UHFFFAOYSA-N 1 2 291.358 3.485 20 30 CGEDLO CC(C)[C@@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253765152 806300522 /nfs/dbraw/zinc/30/05/22/806300522.db2.gz PHIYYMSNXRCNPX-HNNXBMFYSA-N 1 2 280.799 3.073 20 30 CGEDLO CC(C)[C@@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253765152 806300530 /nfs/dbraw/zinc/30/05/30/806300530.db2.gz PHIYYMSNXRCNPX-HNNXBMFYSA-N 1 2 280.799 3.073 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165234 806563025 /nfs/dbraw/zinc/56/30/25/806563025.db2.gz VXHIUYQBVULXSK-CZUORRHYSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165234 806563031 /nfs/dbraw/zinc/56/30/31/806563031.db2.gz VXHIUYQBVULXSK-CZUORRHYSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001255174626 806569095 /nfs/dbraw/zinc/56/90/95/806569095.db2.gz ZNXOYLYANRKGIJ-INIZCTEOSA-N 1 2 291.826 3.150 20 30 CGEDLO CCOC(=O)C1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001255256977 806586056 /nfs/dbraw/zinc/58/60/56/806586056.db2.gz QATOTLDGRHSCSO-ZBCRRDGASA-N 1 2 280.412 3.026 20 30 CGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001255467162 806646881 /nfs/dbraw/zinc/64/68/81/806646881.db2.gz PSDBOEWSCJKVNB-MRXNPFEDSA-N 1 2 287.363 3.039 20 30 CGEDLO CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)C[C@H](C)C#N ZINC000064248853 798905168 /nfs/dbraw/zinc/90/51/68/798905168.db2.gz OCYYOFGMPBSRHN-CYBMUJFWSA-N 1 2 284.359 3.083 20 30 CGEDLO CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)C[C@H](C)C#N ZINC000064248853 798905169 /nfs/dbraw/zinc/90/51/69/798905169.db2.gz OCYYOFGMPBSRHN-CYBMUJFWSA-N 1 2 284.359 3.083 20 30 CGEDLO N#CCc1cc[nH+]c(NCCOc2cccc3ccoc32)c1 ZINC001163076257 806701345 /nfs/dbraw/zinc/70/13/45/806701345.db2.gz VSQNVTJOEQUVHM-UHFFFAOYSA-N 1 2 293.326 3.385 20 30 CGEDLO C=C(C)CNc1c(Br)ccc2[nH+]ccn21 ZINC001163381239 806756043 /nfs/dbraw/zinc/75/60/43/806756043.db2.gz NRAIIHTZMCFDOQ-UHFFFAOYSA-N 1 2 266.142 3.085 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC=C(Br)C1 ZINC000404397773 799576159 /nfs/dbraw/zinc/57/61/59/799576159.db2.gz MKGJGGHAFOGDPY-UHFFFAOYSA-N 1 2 291.192 3.351 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC=C(Br)C1 ZINC000404397773 799576162 /nfs/dbraw/zinc/57/61/62/799576162.db2.gz MKGJGGHAFOGDPY-UHFFFAOYSA-N 1 2 291.192 3.351 20 30 CGEDLO N#CCc1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC000404489351 799576962 /nfs/dbraw/zinc/57/69/62/799576962.db2.gz ZGBXRFGEBCRYBP-UHFFFAOYSA-N 1 2 291.192 3.237 20 30 CGEDLO N#CCc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000404489351 799576967 /nfs/dbraw/zinc/57/69/67/799576967.db2.gz ZGBXRFGEBCRYBP-UHFFFAOYSA-N 1 2 291.192 3.237 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C(=O)OCC ZINC001255854924 806770085 /nfs/dbraw/zinc/77/00/85/806770085.db2.gz XLHDSSKXLJMJBA-RYUDHWBXSA-N 1 2 273.442 3.004 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255871000 806776225 /nfs/dbraw/zinc/77/62/25/806776225.db2.gz RSWXITZOKUZASV-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255871000 806776233 /nfs/dbraw/zinc/77/62/33/806776233.db2.gz RSWXITZOKUZASV-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255871000 806776238 /nfs/dbraw/zinc/77/62/38/806776238.db2.gz RSWXITZOKUZASV-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255871000 806776244 /nfs/dbraw/zinc/77/62/44/806776244.db2.gz RSWXITZOKUZASV-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1c(OC)cccc1OC ZINC000713889048 800114902 /nfs/dbraw/zinc/11/49/02/800114902.db2.gz SLJDEERYRQHSRL-RYUDHWBXSA-N 1 2 262.353 3.047 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721571508 800294379 /nfs/dbraw/zinc/29/43/79/800294379.db2.gz GRYJRUABFASYHZ-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721571508 800294384 /nfs/dbraw/zinc/29/43/84/800294384.db2.gz GRYJRUABFASYHZ-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO CC(C)c1nsc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000826789762 800477426 /nfs/dbraw/zinc/47/74/26/800477426.db2.gz KTVVAKLUSYPCAC-LLVKDONJSA-N 1 2 286.404 3.384 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029456434 800869054 /nfs/dbraw/zinc/86/90/54/800869054.db2.gz CEFZVQGYIAMINE-VVSSRQIVSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029456434 800869058 /nfs/dbraw/zinc/86/90/58/800869058.db2.gz CEFZVQGYIAMINE-VVSSRQIVSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(CCCC)cc2)C1 ZINC001030639056 800894788 /nfs/dbraw/zinc/89/47/88/800894788.db2.gz WJLVYFYBXJHTMO-UHFFFAOYSA-N 1 2 286.419 3.019 20 30 CGEDLO CCOC1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001256430868 806895207 /nfs/dbraw/zinc/89/52/07/806895207.db2.gz BVQZQGNTAMOOKN-UHFFFAOYSA-N 1 2 250.386 3.150 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490806 801797243 /nfs/dbraw/zinc/79/72/43/801797243.db2.gz ULAAKOIWGICKKQ-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490806 801797244 /nfs/dbraw/zinc/79/72/44/801797244.db2.gz ULAAKOIWGICKKQ-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256673495 806945290 /nfs/dbraw/zinc/94/52/90/806945290.db2.gz YKASTGKCKIILDA-HSBZDZAISA-N 1 2 295.427 3.008 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256673495 806945293 /nfs/dbraw/zinc/94/52/93/806945293.db2.gz YKASTGKCKIILDA-HSBZDZAISA-N 1 2 295.427 3.008 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCC)C2 ZINC001109051686 802105635 /nfs/dbraw/zinc/10/56/35/802105635.db2.gz GONSCSMXOJUKJG-RZFFKMDDSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCC)C2 ZINC001109051686 802105637 /nfs/dbraw/zinc/10/56/37/802105637.db2.gz GONSCSMXOJUKJG-RZFFKMDDSA-N 1 2 298.858 3.287 20 30 CGEDLO Cc1c(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cnn1C(C)C ZINC001117351401 802463253 /nfs/dbraw/zinc/46/32/53/802463253.db2.gz QIRDZSILYMIEAN-HJWRWDBZSA-N 1 2 298.390 3.130 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC001117680634 802476899 /nfs/dbraw/zinc/47/68/99/802476899.db2.gz LGURUDRSEMIHGG-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC001117680634 802476901 /nfs/dbraw/zinc/47/69/01/802476901.db2.gz LGURUDRSEMIHGG-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1OC ZINC001119923807 802708639 /nfs/dbraw/zinc/70/86/39/802708639.db2.gz PWRGIRPHSXUIGS-ZDUSSCGKSA-N 1 2 262.328 3.179 20 30 CGEDLO COc1ccc(-c2cc(C)cn3cc[nH+]c23)c(C#N)c1 ZINC001243732152 802971767 /nfs/dbraw/zinc/97/17/67/802971767.db2.gz VRSCITQGNFFMEP-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1cc(N)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001244370437 803334637 /nfs/dbraw/zinc/33/46/37/803334637.db2.gz LZMQLEXMBLIDHD-RGVLZGJSSA-N 1 2 278.359 3.337 20 30 CGEDLO CCCCCCc1ccc(CN2CC[NH2+]C[C@H]2C#N)s1 ZINC001210195933 814332647 /nfs/dbraw/zinc/33/26/47/814332647.db2.gz LMVXMVKVEVRQLO-CQSZACIVSA-N 1 2 291.464 3.168 20 30 CGEDLO Cc1c(C#N)cccc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001244813789 803533651 /nfs/dbraw/zinc/53/36/51/803533651.db2.gz FGMJNDFGEDEIRP-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(C#N)c1 ZINC001137703725 803761505 /nfs/dbraw/zinc/76/15/05/803761505.db2.gz UUUUTNQOWFWCEQ-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(C#N)c1 ZINC001137703725 803761509 /nfs/dbraw/zinc/76/15/09/803761509.db2.gz UUUUTNQOWFWCEQ-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO C=CCc1ccnc(-c2c[nH+]c(N)c(C)c2)c1C(OC)OC ZINC001245539530 803797894 /nfs/dbraw/zinc/79/78/94/803797894.db2.gz VCPVITQFFGNWPC-UHFFFAOYSA-N 1 2 299.374 3.054 20 30 CGEDLO C#CCOc1ccc(C[NH+]2Cc3ccccc3C2)cc1OC ZINC001138341172 803899309 /nfs/dbraw/zinc/89/93/09/803899309.db2.gz JMBCSWTVEZGAFO-UHFFFAOYSA-N 1 2 293.366 3.223 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cc2c1 ZINC001138416359 803923566 /nfs/dbraw/zinc/92/35/66/803923566.db2.gz VQMYTPLQXBWJRA-MRXNPFEDSA-N 1 2 298.411 3.250 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001138608678 803977898 /nfs/dbraw/zinc/97/78/98/803977898.db2.gz NRHXXCCEWDJGKH-HNNXBMFYSA-N 1 2 269.392 3.022 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC001138608678 803977907 /nfs/dbraw/zinc/97/79/07/803977907.db2.gz NRHXXCCEWDJGKH-HNNXBMFYSA-N 1 2 269.392 3.022 20 30 CGEDLO C=C(C)COc1ccccc1C[NH+]1CC2(C1)CCCCO2 ZINC001138661548 803994720 /nfs/dbraw/zinc/99/47/20/803994720.db2.gz BWACCSZBWFOZPN-UHFFFAOYSA-N 1 2 287.403 3.396 20 30 CGEDLO CCSc1ncc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001138656051 803995748 /nfs/dbraw/zinc/99/57/48/803995748.db2.gz WOIFRAPTFZONJJ-UHFFFAOYSA-N 1 2 290.436 3.247 20 30 CGEDLO CCSc1ncc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001138656051 803995754 /nfs/dbraw/zinc/99/57/54/803995754.db2.gz WOIFRAPTFZONJJ-UHFFFAOYSA-N 1 2 290.436 3.247 20 30 CGEDLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C#N)CC2)cs1 ZINC001138887596 804063752 /nfs/dbraw/zinc/06/37/52/804063752.db2.gz HKZPVXMAWOYGBR-GFCCVEGCSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1nc(C[N@H+]2CCC[C@@H](C#N)CC2)cs1 ZINC001138887596 804063759 /nfs/dbraw/zinc/06/37/59/804063759.db2.gz HKZPVXMAWOYGBR-GFCCVEGCSA-N 1 2 263.410 3.392 20 30 CGEDLO C#Cc1cc(Nc2cc(F)ccc2OCCC)cc[nH+]1 ZINC001212195830 814992957 /nfs/dbraw/zinc/99/29/57/814992957.db2.gz YGMHTRFDLCNMRG-UHFFFAOYSA-N 1 2 270.307 3.156 20 30 CGEDLO SC1CC[NH+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001139478942 804194190 /nfs/dbraw/zinc/19/41/90/804194190.db2.gz HGMDKQYEZRFYLE-UHFFFAOYSA-N 1 2 277.220 3.283 20 30 CGEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC(F)CC1 ZINC001139687746 804254089 /nfs/dbraw/zinc/25/40/89/804254089.db2.gz XQQICVZLLKYWGZ-UHFFFAOYSA-N 1 2 252.720 3.146 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3ccccc3C(F)F)CC[C@@H]2S1 ZINC001139797114 804283375 /nfs/dbraw/zinc/28/33/75/804283375.db2.gz LDHNTFMIHMIXKD-ZDUSSCGKSA-N 1 2 295.354 3.398 20 30 CGEDLO Cc1c(O)ccc(C[N@H+](CCC#N)Cc2ccccc2)c1O ZINC001140742536 804503684 /nfs/dbraw/zinc/50/36/84/804503684.db2.gz RDZLJODJZQPHQH-UHFFFAOYSA-N 1 2 296.370 3.322 20 30 CGEDLO Cc1c(O)ccc(C[N@@H+](CCC#N)Cc2ccccc2)c1O ZINC001140742536 804503687 /nfs/dbraw/zinc/50/36/87/804503687.db2.gz RDZLJODJZQPHQH-UHFFFAOYSA-N 1 2 296.370 3.322 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2cc(F)ccc2n1 ZINC001141646575 804661684 /nfs/dbraw/zinc/66/16/84/804661684.db2.gz SIRCPEKUJMGRPX-UHFFFAOYSA-N 1 2 257.312 3.109 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2cc(F)ccc2n1 ZINC001141646575 804661687 /nfs/dbraw/zinc/66/16/87/804661687.db2.gz SIRCPEKUJMGRPX-UHFFFAOYSA-N 1 2 257.312 3.109 20 30 CGEDLO CCCCCCCCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001247123998 804667083 /nfs/dbraw/zinc/66/70/83/804667083.db2.gz ZFQPCJFZVRIVCV-UHFFFAOYSA-N 1 2 279.453 3.459 20 30 CGEDLO Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001141988461 804686631 /nfs/dbraw/zinc/68/66/31/804686631.db2.gz WNMKZXWVWJPWJZ-CQSZACIVSA-N 1 2 281.359 3.386 20 30 CGEDLO Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001141988461 804686637 /nfs/dbraw/zinc/68/66/37/804686637.db2.gz WNMKZXWVWJPWJZ-CQSZACIVSA-N 1 2 281.359 3.386 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001143412506 804851083 /nfs/dbraw/zinc/85/10/83/804851083.db2.gz YRFNTXHATUYTBY-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143412506 804851090 /nfs/dbraw/zinc/85/10/90/804851090.db2.gz YRFNTXHATUYTBY-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143494942 804859365 /nfs/dbraw/zinc/85/93/65/804859365.db2.gz DECWWGYJIZLGMO-GFCCVEGCSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143494942 804859374 /nfs/dbraw/zinc/85/93/74/804859374.db2.gz DECWWGYJIZLGMO-GFCCVEGCSA-N 1 2 279.330 3.209 20 30 CGEDLO COCC[N@H+](Cc1c(Cl)cccc1C#N)C(C)C ZINC001143723109 804888256 /nfs/dbraw/zinc/88/82/56/804888256.db2.gz MYHHSHIAELAGKL-UHFFFAOYSA-N 1 2 266.772 3.068 20 30 CGEDLO COCC[N@@H+](Cc1c(Cl)cccc1C#N)C(C)C ZINC001143723109 804888263 /nfs/dbraw/zinc/88/82/63/804888263.db2.gz MYHHSHIAELAGKL-UHFFFAOYSA-N 1 2 266.772 3.068 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H](F)C2)c1F ZINC001249672207 805210031 /nfs/dbraw/zinc/21/00/31/805210031.db2.gz ZXYXSEWXYCRNTE-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H](F)C2)c1F ZINC001249672207 805210046 /nfs/dbraw/zinc/21/00/46/805210046.db2.gz ZXYXSEWXYCRNTE-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCC)c(CC)c2)cc[nH+]1 ZINC001250283874 805539993 /nfs/dbraw/zinc/53/99/93/805539993.db2.gz SQFMKBOVOGFELQ-UHFFFAOYSA-N 1 2 266.344 3.190 20 30 CGEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@@H]1CCCSC1 ZINC001257657914 807205900 /nfs/dbraw/zinc/20/59/00/807205900.db2.gz QLYSSHLUTYHEPC-ZCFIWIBFSA-N 1 2 299.255 3.305 20 30 CGEDLO CC[C@H](C)Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167999888 807296493 /nfs/dbraw/zinc/29/64/93/807296493.db2.gz OBRAMBPNYUEJCC-JYJKATLZSA-N 1 2 295.452 3.482 20 30 CGEDLO C[C@H]1CC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H](C)C1 ZINC001258160210 807329415 /nfs/dbraw/zinc/32/94/15/807329415.db2.gz RHPJYEPQNNOGOF-JTNHKYCSSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@H]1CC([N@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H](C)C1 ZINC001258160210 807329423 /nfs/dbraw/zinc/32/94/23/807329423.db2.gz RHPJYEPQNNOGOF-JTNHKYCSSA-N 1 2 265.422 3.085 20 30 CGEDLO Cc1ccc(C(=NO)Nc2ccc3c(C)cc[nH+]c3c2)nc1 ZINC001169411905 807640662 /nfs/dbraw/zinc/64/06/62/807640662.db2.gz KUKGTVPFXZTXMS-UHFFFAOYSA-N 1 2 292.342 3.495 20 30 CGEDLO COc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1 ZINC001212782604 815135949 /nfs/dbraw/zinc/13/59/49/815135949.db2.gz HUIZYZPPDHCULL-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C[C@@H](CNc1[nH+]cccc1CC#N)c1ccc(O)cc1 ZINC001169531708 807656523 /nfs/dbraw/zinc/65/65/23/807656523.db2.gz CMCWBRMGDGJCDA-LBPRGKRZSA-N 1 2 267.332 3.069 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCC1(C(=O)OCC)CCC1 ZINC001169554548 807665885 /nfs/dbraw/zinc/66/58/85/807665885.db2.gz UYKNMZMEAFEPIU-UHFFFAOYSA-N 1 2 288.391 3.264 20 30 CGEDLO C#C[C@@](C)(CC)Nc1cc(C)[nH+]c(OC(F)F)c1 ZINC001169700283 807691450 /nfs/dbraw/zinc/69/14/50/807691450.db2.gz LYGWYQCGNKSSSF-ZDUSSCGKSA-N 1 2 254.280 3.205 20 30 CGEDLO SCCC[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001171002208 807956746 /nfs/dbraw/zinc/95/67/46/807956746.db2.gz JTWYZHFIWKMGKQ-UHFFFAOYSA-N 1 2 262.422 3.117 20 30 CGEDLO COc1nscc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001171400114 808046301 /nfs/dbraw/zinc/04/63/01/808046301.db2.gz ROLNXSHHILBLHR-LLVKDONJSA-N 1 2 287.388 3.216 20 30 CGEDLO COc1nscc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001171400114 808046307 /nfs/dbraw/zinc/04/63/07/808046307.db2.gz ROLNXSHHILBLHR-LLVKDONJSA-N 1 2 287.388 3.216 20 30 CGEDLO Cc1cccc2c1CC[C@H]([NH2+][C@](C)(C#N)C(C)C)C2 ZINC001171551078 808092442 /nfs/dbraw/zinc/09/24/42/808092442.db2.gz AJIRNGBOKWGPGB-DOTOQJQBSA-N 1 2 256.393 3.380 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266327922 808242633 /nfs/dbraw/zinc/24/26/33/808242633.db2.gz OPXHDKAZPSZOTD-GXTWGEPZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266327922 808242636 /nfs/dbraw/zinc/24/26/36/808242636.db2.gz OPXHDKAZPSZOTD-GXTWGEPZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266413175 808259213 /nfs/dbraw/zinc/25/92/13/808259213.db2.gz IELHEQBGDUTVAA-OCCSQVGLSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266413175 808259218 /nfs/dbraw/zinc/25/92/18/808259218.db2.gz IELHEQBGDUTVAA-OCCSQVGLSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001266494884 808274933 /nfs/dbraw/zinc/27/49/33/808274933.db2.gz CECWGYYPGHKNIA-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001266494884 808274937 /nfs/dbraw/zinc/27/49/37/808274937.db2.gz CECWGYYPGHKNIA-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO CCCCCC[C@H](CCCC)N1CC[NH2+]C[C@@H]1C#N ZINC001172511898 808368584 /nfs/dbraw/zinc/36/85/84/808368584.db2.gz ASAHBWVUGSLIRX-HOTGVXAUSA-N 1 2 265.445 3.313 20 30 CGEDLO C=CCC1(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC001267658496 808465780 /nfs/dbraw/zinc/46/57/80/808465780.db2.gz HDAWEHIEPBGQLJ-HNNXBMFYSA-N 1 2 298.430 3.294 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043529 808498519 /nfs/dbraw/zinc/49/85/19/808498519.db2.gz DDSXLHSZXJTMPQ-HNNXBMFYSA-N 1 2 264.413 3.398 20 30 CGEDLO COC(=O)CCCC[C@H](C)[NH2+][C@@](C)(C#N)CC(C)C ZINC001173445416 808636759 /nfs/dbraw/zinc/63/67/59/808636759.db2.gz YYZVGKMGMHXOAS-DZGCQCFKSA-N 1 2 268.401 3.026 20 30 CGEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](C#N)CC(C)C)CC2 ZINC001173603440 808652737 /nfs/dbraw/zinc/65/27/37/808652737.db2.gz FGOMYEXLKLCFLI-GWUWNPHMSA-N 1 2 292.423 3.026 20 30 CGEDLO N#Cc1cn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c2ccc(N)cc12 ZINC001213091057 815230982 /nfs/dbraw/zinc/23/09/82/815230982.db2.gz UFYKJEITKBRSTJ-UHFFFAOYSA-N 1 2 299.337 3.474 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(=O)c3ccccc3)cc2)cc[nH+]1 ZINC001174222742 808909986 /nfs/dbraw/zinc/90/99/86/808909986.db2.gz GOPUXHVIUYEWRW-UHFFFAOYSA-N 1 2 298.345 3.459 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)cc2F)cc[nH+]1 ZINC001174401098 808998105 /nfs/dbraw/zinc/99/81/05/808998105.db2.gz RVYNWDSSHAURGP-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001278434282 809133995 /nfs/dbraw/zinc/13/39/95/809133995.db2.gz OYCCISWLYZCEIP-ZFWWWQNUSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001278434282 809134001 /nfs/dbraw/zinc/13/40/01/809134001.db2.gz OYCCISWLYZCEIP-ZFWWWQNUSA-N 1 2 286.847 3.146 20 30 CGEDLO N#Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)c(N)c1 ZINC001213355537 815269639 /nfs/dbraw/zinc/26/96/39/815269639.db2.gz HBAZQBRTRWJSEJ-UHFFFAOYSA-N 1 2 275.315 3.070 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001282412295 809246727 /nfs/dbraw/zinc/24/67/27/809246727.db2.gz MNWDESAGLKLAEW-QWHCGFSZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001282412295 809246731 /nfs/dbraw/zinc/24/67/31/809246731.db2.gz MNWDESAGLKLAEW-QWHCGFSZSA-N 1 2 288.863 3.248 20 30 CGEDLO COC(=O)c1scc(C#N)c1Nc1c[nH+]c(C)cc1C ZINC001213508132 815293746 /nfs/dbraw/zinc/29/37/46/815293746.db2.gz MCKOXKZSDQGEQK-UHFFFAOYSA-N 1 2 287.344 3.162 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(F)cc(C#N)c2)c[nH+]1 ZINC001175682114 809501893 /nfs/dbraw/zinc/50/18/93/809501893.db2.gz FDBGJASVPAKVCD-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO CC(=O)Nc1ccc(Nc2c[nH+]c(C)cc2C)cc1C#N ZINC001213515765 815294453 /nfs/dbraw/zinc/29/44/53/815294453.db2.gz JHBLWSIEBZLEDL-UHFFFAOYSA-N 1 2 280.331 3.272 20 30 CGEDLO Cc1cc([C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)n[nH]1 ZINC001176484616 809705776 /nfs/dbraw/zinc/70/57/76/809705776.db2.gz IPOIYVXBNHESOA-AWEZNQCLSA-N 1 2 260.385 3.185 20 30 CGEDLO Cc1cc([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)n[nH]1 ZINC001176484616 809705779 /nfs/dbraw/zinc/70/57/79/809705779.db2.gz IPOIYVXBNHESOA-AWEZNQCLSA-N 1 2 260.385 3.185 20 30 CGEDLO N#Cc1c2ccccc2sc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177993643 809837742 /nfs/dbraw/zinc/83/77/42/809837742.db2.gz NJRTZOMKOWHGSW-UHFFFAOYSA-N 1 2 296.355 3.067 20 30 CGEDLO COc1ccccc1C[N@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001190407169 810626844 /nfs/dbraw/zinc/62/68/44/810626844.db2.gz LXDWLRRPDGHSFT-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccccc1C[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001190407169 810626849 /nfs/dbraw/zinc/62/68/49/810626849.db2.gz LXDWLRRPDGHSFT-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO CCCCCCCCOC(=O)NCCc1cn(C)c[nH+]1 ZINC001194745303 811122753 /nfs/dbraw/zinc/12/27/53/811122753.db2.gz KTIRJOHGYUDEEX-UHFFFAOYSA-N 1 2 281.400 3.049 20 30 CGEDLO Cc1cn2c(cccc2Nc2cc(C#N)ccc2F)[nH+]1 ZINC001214590790 815428131 /nfs/dbraw/zinc/42/81/31/815428131.db2.gz YMINJZQUBNQCMF-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](CC)CCC)CC1 ZINC001197595825 811431414 /nfs/dbraw/zinc/43/14/14/811431414.db2.gz DFTCLJCPMWNDIB-AWEZNQCLSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](CC)CCC)CC1 ZINC001197595825 811431416 /nfs/dbraw/zinc/43/14/16/811431416.db2.gz DFTCLJCPMWNDIB-AWEZNQCLSA-N 1 2 286.847 3.100 20 30 CGEDLO N#Cc1cccc(NC(=S)Nc2ccc3[nH+]ccn3c2)c1 ZINC001197678919 811444837 /nfs/dbraw/zinc/44/48/37/811444837.db2.gz FLAZYORVPZQIPU-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(Br)cnc1Cl ZINC001200702582 811736486 /nfs/dbraw/zinc/73/64/86/811736486.db2.gz CSZBDZODBNEIRR-UHFFFAOYSA-N 1 2 295.995 3.340 20 30 CGEDLO COc1ccc(C#N)cc1Nc1ccc2c(c1)[nH+]cn2C ZINC001201588514 811915644 /nfs/dbraw/zinc/91/56/44/811915644.db2.gz SITIAAMFQGQFTE-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2c(C)cc(C#N)cc2C#N)c1 ZINC001203663459 812420544 /nfs/dbraw/zinc/42/05/44/812420544.db2.gz KNHYLDOIEGGPBV-UHFFFAOYSA-N 1 2 262.316 3.494 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001203904741 812487580 /nfs/dbraw/zinc/48/75/80/812487580.db2.gz CXERHKLPJRDRBK-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203904741 812487585 /nfs/dbraw/zinc/48/75/85/812487585.db2.gz CXERHKLPJRDRBK-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(OC)c1F ZINC001204442504 812640672 /nfs/dbraw/zinc/64/06/72/812640672.db2.gz ZURMVKPRMZZFGM-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(OC)c1F ZINC001204442504 812640677 /nfs/dbraw/zinc/64/06/77/812640677.db2.gz ZURMVKPRMZZFGM-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO Cc1oc(Nc2ccn3cc[nH+]c3c2)c(C#N)c1C ZINC001204958819 812796661 /nfs/dbraw/zinc/79/66/61/812796661.db2.gz CFIXOVCLPVLZPF-UHFFFAOYSA-N 1 2 252.277 3.159 20 30 CGEDLO COc1cc(C#N)c(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204997690 812815382 /nfs/dbraw/zinc/81/53/82/812815382.db2.gz NYTACUMKZJWONT-UHFFFAOYSA-N 1 2 282.278 3.097 20 30 CGEDLO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208163483 813718947 /nfs/dbraw/zinc/71/89/47/813718947.db2.gz WTPFLLRTTRRUGO-GUTXKFCHSA-N 1 2 277.433 3.253 20 30 CGEDLO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208163483 813718950 /nfs/dbraw/zinc/71/89/50/813718950.db2.gz WTPFLLRTTRRUGO-GUTXKFCHSA-N 1 2 277.433 3.253 20 30 CGEDLO COC(=O)CCCCCCCCC[N@@H+]1CCC[C@H]1C#N ZINC001209093684 813933429 /nfs/dbraw/zinc/93/34/29/813933429.db2.gz KUUYVOLVIDGLCU-HNNXBMFYSA-N 1 2 280.412 3.268 20 30 CGEDLO COC(=O)CCCCCCCCC[N@H+]1CCC[C@H]1C#N ZINC001209093684 813933433 /nfs/dbraw/zinc/93/34/33/813933433.db2.gz KUUYVOLVIDGLCU-HNNXBMFYSA-N 1 2 280.412 3.268 20 30 CGEDLO COc1cc(C#N)ccc1Nc1c[nH+]c(C)cc1C ZINC001209272857 813991691 /nfs/dbraw/zinc/99/16/91/813991691.db2.gz YYTWFJIQGPWKHQ-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001209800621 814146192 /nfs/dbraw/zinc/14/61/92/814146192.db2.gz WJBXFMNGVBKFMY-KWCYVHTRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001209800621 814146197 /nfs/dbraw/zinc/14/61/97/814146197.db2.gz WJBXFMNGVBKFMY-KWCYVHTRSA-N 1 2 286.847 3.002 20 30 CGEDLO N#Cc1cnc(Nc2ccc3[nH]c[nH+]c3c2)c(Cl)c1 ZINC001209842429 814160149 /nfs/dbraw/zinc/16/01/49/814160149.db2.gz JTFXFUNHOWEZRR-UHFFFAOYSA-N 1 2 269.695 3.227 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2cc[nH+]c(N3CCCC3)c2)C1 ZINC001242739216 823117066 /nfs/dbraw/zinc/11/70/66/823117066.db2.gz JOSHLUYHEGLISI-GFCCVEGCSA-N 1 2 256.349 3.064 20 30 CGEDLO Cc1ccc(C2=CC(=O)C[C@H](C)C2)c(C[NH+]2CCOCC2)c1 ZINC001242742335 823118439 /nfs/dbraw/zinc/11/84/39/823118439.db2.gz OBIAAMMJLKRJEJ-OAHLLOKOSA-N 1 2 299.414 3.210 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001242744133 823119924 /nfs/dbraw/zinc/11/99/24/823119924.db2.gz AEPIBUNGCVKVLH-ZDUSSCGKSA-N 1 2 266.344 3.314 20 30 CGEDLO Cc1[nH+]cc(Nc2cc(Cl)ccc2C#N)cc1N ZINC001210290299 814387346 /nfs/dbraw/zinc/38/73/46/814387346.db2.gz JKVBQGLFOHZXIH-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccccc2Cn2cc[nH+]c2)C1 ZINC001242746731 823121480 /nfs/dbraw/zinc/12/14/80/823121480.db2.gz ZGWOFSDSSQJETB-CYBMUJFWSA-N 1 2 266.344 3.314 20 30 CGEDLO COc1cc(Nc2cc(C)cc(C#N)c2)cc(C)[nH+]1 ZINC001210388707 814438024 /nfs/dbraw/zinc/43/80/24/814438024.db2.gz MJGATLLMBOJBGD-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1cc(C#N)cc(Nc2[nH+]cccc2N(C)C)c1 ZINC001210388444 814438380 /nfs/dbraw/zinc/43/83/80/814438380.db2.gz IBNJFBBWXCMKIL-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cc(C)cc(C#N)c1 ZINC001210389729 814439252 /nfs/dbraw/zinc/43/92/52/814439252.db2.gz STDTZBSLURMJEI-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO CCOc1cc(Nc2ccc(O)c(C#N)c2)cc(C)[nH+]1 ZINC001210527968 814509323 /nfs/dbraw/zinc/50/93/23/814509323.db2.gz ZBHSUSQUFGMTLD-UHFFFAOYSA-N 1 2 269.304 3.110 20 30 CGEDLO Cc1cc(-c2c[nH+]c(N3CCOCC3)c(C)c2)ccc1C#N ZINC001242767693 823127020 /nfs/dbraw/zinc/12/70/20/823127020.db2.gz ANSYCMHNGXFFHH-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO COc1cc[nH+]c(Nc2cccc(Cl)c2C#N)c1 ZINC001216124384 815706459 /nfs/dbraw/zinc/70/64/59/815706459.db2.gz SXYNEVOKHMGRAN-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(Cl)c1C#N ZINC001216127972 815708768 /nfs/dbraw/zinc/70/87/68/815708768.db2.gz VNBHYWUOIANKOW-UHFFFAOYSA-N 1 2 282.734 3.441 20 30 CGEDLO CCc1cc(-n2c(C)[nH+]c3ccc(N)cc32)ccc1C#N ZINC001216314784 815777210 /nfs/dbraw/zinc/77/72/10/815777210.db2.gz NZJSYZYAMDAKCK-UHFFFAOYSA-N 1 2 276.343 3.350 20 30 CGEDLO CC#Cc1cncc(-c2ccc(-n3cc[nH+]c3)cc2OC)c1 ZINC001242942151 823182099 /nfs/dbraw/zinc/18/20/99/823182099.db2.gz SZVNPKSVXLSUJE-UHFFFAOYSA-N 1 2 289.338 3.314 20 30 CGEDLO CCC[C@@H](C#Cc1ccccc1)OCCn1cc[nH+]c1 ZINC001222139428 816358034 /nfs/dbraw/zinc/35/80/34/816358034.db2.gz RJGNNZUZBJBEAH-KRWDZBQOSA-N 1 2 268.360 3.120 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)OCc1c[nH+]cn1C ZINC001222600419 816476655 /nfs/dbraw/zinc/47/66/55/816476655.db2.gz OPIUDJONLZKSID-ZDUSSCGKSA-N 1 2 272.348 3.263 20 30 CGEDLO C=CCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224339147 816782579 /nfs/dbraw/zinc/78/25/79/816782579.db2.gz FJCJTPMWZVUBBD-LLVKDONJSA-N 1 2 286.828 3.354 20 30 CGEDLO C=CCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224339147 816782583 /nfs/dbraw/zinc/78/25/83/816782583.db2.gz FJCJTPMWZVUBBD-LLVKDONJSA-N 1 2 286.828 3.354 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCn3cccc3C2)c1 ZINC001231623522 818138010 /nfs/dbraw/zinc/13/80/10/818138010.db2.gz IHFXOLBBTSCYOX-UHFFFAOYSA-N 1 2 268.360 3.069 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCn3cccc3C2)c1 ZINC001231623522 818138017 /nfs/dbraw/zinc/13/80/17/818138017.db2.gz IHFXOLBBTSCYOX-UHFFFAOYSA-N 1 2 268.360 3.069 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232213369 818281040 /nfs/dbraw/zinc/28/10/40/818281040.db2.gz FFRYBZXGCUDGFT-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232213369 818281043 /nfs/dbraw/zinc/28/10/43/818281043.db2.gz FFRYBZXGCUDGFT-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C=CC[N@@H+](Cc1csc(NC(C)=O)n1)C1CCCCC1 ZINC001232288188 818303672 /nfs/dbraw/zinc/30/36/72/818303672.db2.gz MRISZQUBKHKNQM-UHFFFAOYSA-N 1 2 293.436 3.422 20 30 CGEDLO C=CC[N@H+](Cc1csc(NC(C)=O)n1)C1CCCCC1 ZINC001232288188 818303681 /nfs/dbraw/zinc/30/36/81/818303681.db2.gz MRISZQUBKHKNQM-UHFFFAOYSA-N 1 2 293.436 3.422 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232609260 818394775 /nfs/dbraw/zinc/39/47/75/818394775.db2.gz RXJDAKMQPITPOY-XGHVKYEFSA-N 1 2 285.778 3.478 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232609260 818394776 /nfs/dbraw/zinc/39/47/76/818394776.db2.gz RXJDAKMQPITPOY-XGHVKYEFSA-N 1 2 285.778 3.478 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCC3)CC2)c1 ZINC001232674783 818417090 /nfs/dbraw/zinc/41/70/90/818417090.db2.gz DXPUKHVGKMBJFL-UHFFFAOYSA-N 1 2 256.349 3.030 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(O)c1F ZINC001232939733 818479486 /nfs/dbraw/zinc/47/94/86/818479486.db2.gz LFSQTEUJMFXELH-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(O)c1F ZINC001232939733 818479491 /nfs/dbraw/zinc/47/94/91/818479491.db2.gz LFSQTEUJMFXELH-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233045118 818507395 /nfs/dbraw/zinc/50/73/95/818507395.db2.gz PIYZYVJIZXYKTR-MRXNPFEDSA-N 1 2 295.386 3.238 20 30 CGEDLO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233045118 818507402 /nfs/dbraw/zinc/50/74/02/818507402.db2.gz PIYZYVJIZXYKTR-MRXNPFEDSA-N 1 2 295.386 3.238 20 30 CGEDLO C[N@H+](Cc1[nH]ccc1C#N)Cc1ccc(N2CCCC2)cc1 ZINC001233043643 818508432 /nfs/dbraw/zinc/50/84/32/818508432.db2.gz GJEXFMXAMNYCFD-UHFFFAOYSA-N 1 2 294.402 3.119 20 30 CGEDLO C[N@@H+](Cc1[nH]ccc1C#N)Cc1ccc(N2CCCC2)cc1 ZINC001233043643 818508437 /nfs/dbraw/zinc/50/84/37/818508437.db2.gz GJEXFMXAMNYCFD-UHFFFAOYSA-N 1 2 294.402 3.119 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1O ZINC001233400645 818611218 /nfs/dbraw/zinc/61/12/18/818611218.db2.gz RIACGQGWDGMXHJ-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1O ZINC001233400645 818611222 /nfs/dbraw/zinc/61/12/22/818611222.db2.gz RIACGQGWDGMXHJ-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO CCCCCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235914595 819220129 /nfs/dbraw/zinc/22/01/29/819220129.db2.gz ULXVEHWLWOJDCR-MRXNPFEDSA-N 1 2 265.445 3.315 20 30 CGEDLO CCCCCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235914595 819220134 /nfs/dbraw/zinc/22/01/34/819220134.db2.gz ULXVEHWLWOJDCR-MRXNPFEDSA-N 1 2 265.445 3.315 20 30 CGEDLO N#Cc1cc2ccc(-c3ccc(N)[nH+]c3)cc2s1 ZINC001236312917 819419970 /nfs/dbraw/zinc/41/99/70/819419970.db2.gz AXJCSGQRWUULSE-UHFFFAOYSA-N 1 2 251.314 3.417 20 30 CGEDLO COc1ccc(C#N)cc1-c1ccc2[nH+]c(C)cn2c1 ZINC001236543347 819530041 /nfs/dbraw/zinc/53/00/41/819530041.db2.gz YWHLXQXOHDTZOT-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)c(Br)c1 ZINC001236863164 819626741 /nfs/dbraw/zinc/62/67/41/819626741.db2.gz GBSZGTRJGQQRBU-UHFFFAOYSA-N 1 2 292.180 3.056 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)c(Br)c1 ZINC001236863164 819626742 /nfs/dbraw/zinc/62/67/42/819626742.db2.gz GBSZGTRJGQQRBU-UHFFFAOYSA-N 1 2 292.180 3.056 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(Cl)c(F)c1 ZINC001237404573 819745657 /nfs/dbraw/zinc/74/56/57/819745657.db2.gz LPICSUIUKWYYNA-WLLOZRIZSA-N 1 2 279.746 3.141 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(Cl)c(F)c1 ZINC001237404573 819745660 /nfs/dbraw/zinc/74/56/60/819745660.db2.gz LPICSUIUKWYYNA-WLLOZRIZSA-N 1 2 279.746 3.141 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C#N)C2)c1O ZINC001237686434 819806261 /nfs/dbraw/zinc/80/62/61/819806261.db2.gz LQKLVRXJDOPPCX-LLVKDONJSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C#N)C2)c1O ZINC001237686434 819806268 /nfs/dbraw/zinc/80/62/68/819806268.db2.gz LQKLVRXJDOPPCX-LLVKDONJSA-N 1 2 264.756 3.090 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(C#N)c1 ZINC001238195081 819953008 /nfs/dbraw/zinc/95/30/08/819953008.db2.gz ZTPCIAVEJIOSIY-UHFFFAOYSA-N 1 2 261.756 3.337 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(C#N)c1 ZINC001238195081 819953015 /nfs/dbraw/zinc/95/30/15/819953015.db2.gz ZTPCIAVEJIOSIY-UHFFFAOYSA-N 1 2 261.756 3.337 20 30 CGEDLO CC(C)Oc1ccc(C[NH+]2CCC(C#N)CC2)c(F)c1 ZINC001238444443 820000304 /nfs/dbraw/zinc/00/03/04/820000304.db2.gz MCFJWPHPAFKIEV-UHFFFAOYSA-N 1 2 276.355 3.348 20 30 CGEDLO Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001238565230 820046357 /nfs/dbraw/zinc/04/63/57/820046357.db2.gz UTLQVHREMBXPRB-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001238565230 820046369 /nfs/dbraw/zinc/04/63/69/820046369.db2.gz UTLQVHREMBXPRB-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)cn1 ZINC001238801192 820124681 /nfs/dbraw/zinc/12/46/81/820124681.db2.gz CIDRYVZDBVBNFD-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)cn1 ZINC001238801192 820124687 /nfs/dbraw/zinc/12/46/87/820124687.db2.gz CIDRYVZDBVBNFD-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO Cc1cn2c(cccc2-c2ccc(OCC#N)cc2)[nH+]1 ZINC001243589957 823458299 /nfs/dbraw/zinc/45/82/99/823458299.db2.gz MZXJDNURYKHQJQ-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO Cc1cnc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001243655739 823475736 /nfs/dbraw/zinc/47/57/36/823475736.db2.gz FLWSJYUKMYHTLR-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(O)c1 ZINC001241045826 821519658 /nfs/dbraw/zinc/51/96/58/821519658.db2.gz SVJGTDWTRFOPBK-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(CC#N)cc1F ZINC001241243462 821664319 /nfs/dbraw/zinc/66/43/19/821664319.db2.gz HJHYVWYGBXGAAO-UHFFFAOYSA-N 1 2 269.323 3.328 20 30 CGEDLO Cc1cc(C#N)ccc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001242472238 823004101 /nfs/dbraw/zinc/00/41/01/823004101.db2.gz QTFWWEZXJOQSAU-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1O ZINC001242565252 823035283 /nfs/dbraw/zinc/03/52/83/823035283.db2.gz SVLJFYHOFKOPRN-UHFFFAOYSA-N 1 2 275.311 3.176 20 30 CGEDLO N#Cc1cc(-c2ccccc2Cn2cc[nH+]c2)ccc1O ZINC001242565087 823035481 /nfs/dbraw/zinc/03/54/81/823035481.db2.gz LBTWKYHILVJPIU-UHFFFAOYSA-N 1 2 275.311 3.176 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC3(C2)CCCCC3)c1=S ZINC001339479465 936374557 /nfs/dbraw/zinc/37/45/57/936374557.db2.gz IBZVLTSLJYCDFR-UHFFFAOYSA-N 1 2 292.452 3.214 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC3(C2)CCCCC3)c1=S ZINC001339479465 936374562 /nfs/dbraw/zinc/37/45/62/936374562.db2.gz IBZVLTSLJYCDFR-UHFFFAOYSA-N 1 2 292.452 3.214 20 30 CGEDLO C=CCC[C@H](c1nnc(C[NH+](C)C)o1)c1ccccc1 ZINC001346661897 936855977 /nfs/dbraw/zinc/85/59/77/936855977.db2.gz HMIPMVRLZZSPGA-AWEZNQCLSA-N 1 2 271.364 3.229 20 30 CGEDLO Cc1ccc(N[C@H](C)c2cc(C#N)ccn2)c(C)[nH+]1 ZINC001353932862 937083581 /nfs/dbraw/zinc/08/35/81/937083581.db2.gz NFPZGGZYVQAVOF-GFCCVEGCSA-N 1 2 252.321 3.138 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(CC)CC)C(=O)OCC ZINC001462249429 928783578 /nfs/dbraw/zinc/78/35/78/928783578.db2.gz QSDDDBXBOYLUIU-SOUVJXGZSA-N 1 2 297.439 3.068 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000397602450 928804085 /nfs/dbraw/zinc/80/40/85/928804085.db2.gz NIZKZPSXHPAIPU-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000397602450 928804093 /nfs/dbraw/zinc/80/40/93/928804093.db2.gz NIZKZPSXHPAIPU-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)cc1F ZINC001139529091 931953031 /nfs/dbraw/zinc/95/30/31/931953031.db2.gz JMDKVMYYNGHTOR-UHFFFAOYSA-N 1 2 298.333 3.024 20 30 CGEDLO Cc1cc(C)c(CNC(=O)c2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC001460891668 937551214 /nfs/dbraw/zinc/55/12/14/937551214.db2.gz SWWGWCFVUPSKRJ-UHFFFAOYSA-N 1 2 299.761 3.154 20 30 CGEDLO CSc1cc[nH+]c(N(C)Cc2ccc(C#N)cc2)c1 ZINC001166540138 931997856 /nfs/dbraw/zinc/99/78/56/931997856.db2.gz FCRFHEHYPOWCIE-UHFFFAOYSA-N 1 2 269.373 3.312 20 30 CGEDLO Cc1c(F)cc[nH+]c1N(C)Cc1ccc(C#N)cc1 ZINC001166539883 931998043 /nfs/dbraw/zinc/99/80/43/931998043.db2.gz WGECHYRGACIZKY-UHFFFAOYSA-N 1 2 255.296 3.037 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccc(Cl)cc1F ZINC001462226706 937626693 /nfs/dbraw/zinc/62/66/93/937626693.db2.gz RZGUXBKKSGQSGK-AWEZNQCLSA-N 1 2 290.725 3.044 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(CC)CC)C(=O)OCC ZINC001462249428 937627337 /nfs/dbraw/zinc/62/73/37/937627337.db2.gz QSDDDBXBOYLUIU-RRFJBIMHSA-N 1 2 297.439 3.068 20 30 CGEDLO C#CCOc1ccc(CNc2cc(CC)[nH+]c(CC)n2)cc1 ZINC001307123661 932917110 /nfs/dbraw/zinc/91/71/10/932917110.db2.gz OLLWHKJPFWLXHN-UHFFFAOYSA-N 1 2 295.386 3.226 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001307445681 932952848 /nfs/dbraw/zinc/95/28/48/932952848.db2.gz GMEREEBYOTZUNH-XBFCOCLRSA-N 1 2 264.319 3.127 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001307445681 932952855 /nfs/dbraw/zinc/95/28/55/932952855.db2.gz GMEREEBYOTZUNH-XBFCOCLRSA-N 1 2 264.319 3.127 20 30 CGEDLO C#CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910589 933017995 /nfs/dbraw/zinc/01/79/95/933017995.db2.gz YJYGMXRZAFEDDN-HOTGVXAUSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910589 933017998 /nfs/dbraw/zinc/01/79/98/933017998.db2.gz YJYGMXRZAFEDDN-HOTGVXAUSA-N 1 2 293.451 3.480 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001316991445 933465438 /nfs/dbraw/zinc/46/54/38/933465438.db2.gz HVECEDWUQOVOKD-UONOGXRCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001316991445 933465450 /nfs/dbraw/zinc/46/54/50/933465450.db2.gz HVECEDWUQOVOKD-UONOGXRCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001317486057 933603317 /nfs/dbraw/zinc/60/33/17/933603317.db2.gz IUNILIOUBFYVGU-WFASDCNBSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001317486057 933603320 /nfs/dbraw/zinc/60/33/20/933603320.db2.gz IUNILIOUBFYVGU-WFASDCNBSA-N 1 2 286.847 3.003 20 30 CGEDLO C=CC[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OCC ZINC001321295786 934174210 /nfs/dbraw/zinc/17/42/10/934174210.db2.gz CPLNCTDWFDREPE-GOEBONIOSA-N 1 2 275.392 3.278 20 30 CGEDLO CN1CCC(=[NH+]OCCC(F)(F)F)c2ccccc21 ZINC001321819913 934215017 /nfs/dbraw/zinc/21/50/17/934215017.db2.gz XXFPZZOUEWQBIO-UHFFFAOYSA-N 1 2 272.270 3.200 20 30 CGEDLO Cn1c(N[NH+]=Cc2ccc(N)cc2Cl)nc2ccccc21 ZINC001324103839 934459153 /nfs/dbraw/zinc/45/91/53/934459153.db2.gz YABLFPMICTUMNQ-UHFFFAOYSA-N 1 2 299.765 3.255 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001324633788 934535997 /nfs/dbraw/zinc/53/59/97/934535997.db2.gz KXNPFHODSXWZAH-CQSZACIVSA-N 1 2 263.385 3.087 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cccc(F)c1 ZINC001328935228 935175931 /nfs/dbraw/zinc/17/59/31/935175931.db2.gz NSHFUSSMOBHAGG-CMDGGOBGSA-N 1 2 270.307 3.183 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cccc(C#N)c1O ZINC001329747919 935243309 /nfs/dbraw/zinc/24/33/09/935243309.db2.gz DOLMDRDGVIQOFG-UHTWSYAYSA-N 1 2 262.328 3.195 20 30 CGEDLO C=C1CCC(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC001331394906 935376216 /nfs/dbraw/zinc/37/62/16/935376216.db2.gz YRTMFQXYNKHSHO-UHFFFAOYSA-N 1 2 258.365 3.061 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1cocc1C)C(C)C ZINC001332723091 935485420 /nfs/dbraw/zinc/48/54/20/935485420.db2.gz MMKPUCXRLGPWOW-UHFFFAOYSA-N 1 2 298.814 3.123 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1cocc1C)C(C)C ZINC001332723091 935485422 /nfs/dbraw/zinc/48/54/22/935485422.db2.gz MMKPUCXRLGPWOW-UHFFFAOYSA-N 1 2 298.814 3.123 20 30 CGEDLO C=CCCCN(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC001335541393 936151592 /nfs/dbraw/zinc/15/15/92/936151592.db2.gz XDQFQNQNASTANE-UHFFFAOYSA-N 1 2 275.396 3.196 20 30 CGEDLO C=C(Br)C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001473888911 937827984 /nfs/dbraw/zinc/82/79/84/937827984.db2.gz YHUSONJSZKFQGY-AWEZNQCLSA-N 1 2 296.208 3.359 20 30 CGEDLO C=C(Br)C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001473888911 937827987 /nfs/dbraw/zinc/82/79/87/937827987.db2.gz YHUSONJSZKFQGY-AWEZNQCLSA-N 1 2 296.208 3.359 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001507379889 937995683 /nfs/dbraw/zinc/99/56/83/937995683.db2.gz CCFFULBAHSCSBA-GJZGRUSLSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001507379889 937995684 /nfs/dbraw/zinc/99/56/84/937995684.db2.gz CCFFULBAHSCSBA-GJZGRUSLSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C1CCC(C(=O)OCCc2cn3c([nH+]2)CCCC3)CC1 ZINC001515197766 938005081 /nfs/dbraw/zinc/00/50/81/938005081.db2.gz LHEIIBXORUGPHC-UHFFFAOYSA-N 1 2 288.391 3.052 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2csc(C#N)c2)c(C)[nH+]1 ZINC001535174687 938099249 /nfs/dbraw/zinc/09/92/49/938099249.db2.gz SRDVEUQKJFAWDC-UHFFFAOYSA-N 1 2 271.345 3.192 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC001559195182 938222059 /nfs/dbraw/zinc/22/20/59/938222059.db2.gz YWZCULVCIKACSZ-KGLIPLIRSA-N 1 2 273.380 3.198 20 30 CGEDLO CC[C@H]([NH2+]CCC1(C#N)CCCCC1)c1noc(C)n1 ZINC001559736757 938234055 /nfs/dbraw/zinc/23/40/55/938234055.db2.gz QNIPFCNVPKFHNX-ZDUSSCGKSA-N 1 2 276.384 3.283 20 30 CGEDLO CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H](C)C#N ZINC001560024640 938242031 /nfs/dbraw/zinc/24/20/31/938242031.db2.gz OQCIMIJGLUTGIF-CQSZACIVSA-N 1 2 297.443 3.305 20 30 CGEDLO CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H](C)C#N ZINC001560024640 938242032 /nfs/dbraw/zinc/24/20/32/938242032.db2.gz OQCIMIJGLUTGIF-CQSZACIVSA-N 1 2 297.443 3.305 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cc3cc(F)ccc3o2)n1 ZINC001560603389 938264797 /nfs/dbraw/zinc/26/47/97/938264797.db2.gz IMEXNQWXIGGGPB-UHFFFAOYSA-N 1 2 287.319 3.190 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(=O)OCC ZINC001560837167 938278910 /nfs/dbraw/zinc/27/89/10/938278910.db2.gz KZYAQIWQSMJCKY-RDBSUJKOSA-N 1 2 299.480 3.394 20 30 CGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000589984573 346820025 /nfs/dbraw/zinc/82/00/25/346820025.db2.gz LOLYOOZWWPXIHP-QGZVFWFLSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000589984573 346820027 /nfs/dbraw/zinc/82/00/27/346820027.db2.gz LOLYOOZWWPXIHP-QGZVFWFLSA-N 1 2 298.365 3.076 20 30 CGEDLO CCOC(=O)C(CC)(CC)[NH2+]Cc1ccc(C#N)cc1C ZINC000590029773 346822702 /nfs/dbraw/zinc/82/27/02/346822702.db2.gz AEJOFOWHICKLBN-UHFFFAOYSA-N 1 2 288.391 3.078 20 30 CGEDLO CCc1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000590122476 346828609 /nfs/dbraw/zinc/82/86/09/346828609.db2.gz OMRRYMZLLHTITQ-AWEZNQCLSA-N 1 2 284.363 3.157 20 30 CGEDLO N#Cc1c(F)cccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567537 346850875 /nfs/dbraw/zinc/85/08/75/346850875.db2.gz NEXRWZSRNIZQAG-UHFFFAOYSA-N 1 2 297.324 3.086 20 30 CGEDLO N#CC1(CC[N@@H+]2CCO[C@H](C(F)(F)F)C2)CCCCC1 ZINC000591014908 346894259 /nfs/dbraw/zinc/89/42/59/346894259.db2.gz HQXUVWWRDJQGIT-LBPRGKRZSA-N 1 2 290.329 3.114 20 30 CGEDLO N#CC1(CC[N@H+]2CCO[C@H](C(F)(F)F)C2)CCCCC1 ZINC000591014908 346894263 /nfs/dbraw/zinc/89/42/63/346894263.db2.gz HQXUVWWRDJQGIT-LBPRGKRZSA-N 1 2 290.329 3.114 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(F)cc1C#N ZINC000295081243 199335394 /nfs/dbraw/zinc/33/53/94/199335394.db2.gz XUVDRNUKLKVTMV-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO CC[N@@H+](Cc1cnn(-c2ccccc2C)c1)C[C@@H](C)C#N ZINC000592497881 346993682 /nfs/dbraw/zinc/99/36/82/346993682.db2.gz FAPLGJSUSBOFHC-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@H+](Cc1cnn(-c2ccccc2C)c1)C[C@@H](C)C#N ZINC000592497881 346993687 /nfs/dbraw/zinc/99/36/87/346993687.db2.gz FAPLGJSUSBOFHC-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C#N)ccc1F ZINC000026741972 344907465 /nfs/dbraw/zinc/90/74/65/344907465.db2.gz RTVVRMHAWWBASI-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C#N)ccc1F ZINC000026741972 344907467 /nfs/dbraw/zinc/90/74/67/344907467.db2.gz RTVVRMHAWWBASI-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C=CCN(Cc1cccs1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057827963 345188231 /nfs/dbraw/zinc/18/82/31/345188231.db2.gz FVNDTTGKCMGRAZ-UHFFFAOYSA-N 1 2 297.383 3.224 20 30 CGEDLO C=CC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623960831 349929304 /nfs/dbraw/zinc/92/93/04/349929304.db2.gz JBVHYJZXDNJWDO-UHFFFAOYSA-N 1 2 278.359 3.285 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OCC(F)(F)F ZINC000081513591 345711300 /nfs/dbraw/zinc/71/13/00/345711300.db2.gz MIYSBCGEIFXZKS-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCC(F)(F)F ZINC000081513591 345711304 /nfs/dbraw/zinc/71/13/04/345711304.db2.gz MIYSBCGEIFXZKS-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000125961041 346021396 /nfs/dbraw/zinc/02/13/96/346021396.db2.gz SFPRIHKCLMDUEZ-GOEBONIOSA-N 1 2 275.392 3.105 20 30 CGEDLO CCCC[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000133854132 346079322 /nfs/dbraw/zinc/07/93/22/346079322.db2.gz WKICYTPSRHKFDZ-UHFFFAOYSA-N 1 2 282.391 3.284 20 30 CGEDLO CCCC[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000133854132 346079326 /nfs/dbraw/zinc/07/93/26/346079326.db2.gz WKICYTPSRHKFDZ-UHFFFAOYSA-N 1 2 282.391 3.284 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)nc1 ZINC000155407188 346153224 /nfs/dbraw/zinc/15/32/24/346153224.db2.gz KQEFRCDKPMVRNH-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)nc1 ZINC000155407188 346153226 /nfs/dbraw/zinc/15/32/26/346153226.db2.gz KQEFRCDKPMVRNH-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO CC(C)c1nc(NCc2ccc(C#N)cc2)cc[nH+]1 ZINC000171848158 346212210 /nfs/dbraw/zinc/21/22/10/346212210.db2.gz VXPNPVHPSAUBJK-UHFFFAOYSA-N 1 2 252.321 3.084 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000593563942 347091825 /nfs/dbraw/zinc/09/18/25/347091825.db2.gz VCYYTEMCFLIDOG-LLVKDONJSA-N 1 2 298.390 3.359 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000593629809 347097526 /nfs/dbraw/zinc/09/75/26/347097526.db2.gz PSRGDZYSFQKHRZ-UHFFFAOYSA-N 1 2 296.418 3.471 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)CC(C)(C)C#N ZINC000593629809 347097529 /nfs/dbraw/zinc/09/75/29/347097529.db2.gz PSRGDZYSFQKHRZ-UHFFFAOYSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000403940312 346598361 /nfs/dbraw/zinc/59/83/61/346598361.db2.gz VYGIZAKUBDTMTP-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000403940312 346598362 /nfs/dbraw/zinc/59/83/62/346598362.db2.gz VYGIZAKUBDTMTP-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO C#CCN(CC)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000490780734 346627488 /nfs/dbraw/zinc/62/74/88/346627488.db2.gz QJWWSQKWTSUQJX-UHFFFAOYSA-N 1 2 295.342 3.361 20 30 CGEDLO C#C[C@@H](NCc1c[nH+]cn1CC)c1ccc(Cl)cc1F ZINC000491622922 346629138 /nfs/dbraw/zinc/62/91/38/346629138.db2.gz HHSRNUBVKBXTOG-OAHLLOKOSA-N 1 2 291.757 3.160 20 30 CGEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC1(C#N)CC1 ZINC000584847316 346718785 /nfs/dbraw/zinc/71/87/85/346718785.db2.gz KDIGIVHHHQATMC-ZDUSSCGKSA-N 1 2 289.810 3.154 20 30 CGEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC1(C#N)CC1 ZINC000584847316 346718788 /nfs/dbraw/zinc/71/87/88/346718788.db2.gz KDIGIVHHHQATMC-ZDUSSCGKSA-N 1 2 289.810 3.154 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2C)n1 ZINC000586788039 346735650 /nfs/dbraw/zinc/73/56/50/346735650.db2.gz VVNFJQJDPGFNPH-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2C)n1 ZINC000586788039 346735653 /nfs/dbraw/zinc/73/56/53/346735653.db2.gz VVNFJQJDPGFNPH-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594021298 347138307 /nfs/dbraw/zinc/13/83/07/347138307.db2.gz SJRZIUVXZCNXTH-ZDUSSCGKSA-N 1 2 293.370 3.387 20 30 CGEDLO Cc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594030917 347140034 /nfs/dbraw/zinc/14/00/34/347140034.db2.gz AKVUVVZWBYYEQE-UHFFFAOYSA-N 1 2 267.332 3.024 20 30 CGEDLO Cc1ccn(-c2ccc([NH2+]CC3(CC#N)CC3)cc2)n1 ZINC000594708399 347212091 /nfs/dbraw/zinc/21/20/91/347212091.db2.gz VUYIXGSQWGHYBO-UHFFFAOYSA-N 1 2 266.348 3.287 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2C#N)c(C)c1 ZINC000594596318 347198388 /nfs/dbraw/zinc/19/83/88/347198388.db2.gz RYKCPFJALBUDME-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595339460 347294188 /nfs/dbraw/zinc/29/41/88/347294188.db2.gz PIJJREANBQQVQQ-HYVNUMGLSA-N 1 2 269.392 3.233 20 30 CGEDLO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595339460 347294190 /nfs/dbraw/zinc/29/41/90/347294190.db2.gz PIJJREANBQQVQQ-HYVNUMGLSA-N 1 2 269.392 3.233 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)o1 ZINC000595412906 347299299 /nfs/dbraw/zinc/29/92/99/347299299.db2.gz OIGWGLOPKMOFDU-JTQLQIEISA-N 1 2 255.321 3.014 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595609730 347326367 /nfs/dbraw/zinc/32/63/67/347326367.db2.gz OHRIMVNIGMHJRA-HNNXBMFYSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595609730 347326369 /nfs/dbraw/zinc/32/63/69/347326369.db2.gz OHRIMVNIGMHJRA-HNNXBMFYSA-N 1 2 299.418 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000595623428 347329130 /nfs/dbraw/zinc/32/91/30/347329130.db2.gz PEKSTNVRGOPWNB-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000595623428 347329132 /nfs/dbraw/zinc/32/91/32/347329132.db2.gz PEKSTNVRGOPWNB-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO C=CCCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595678251 347336484 /nfs/dbraw/zinc/33/64/84/347336484.db2.gz SKAXTKSSDOARER-MRXNPFEDSA-N 1 2 291.391 3.197 20 30 CGEDLO C=CCCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000595678251 347336485 /nfs/dbraw/zinc/33/64/85/347336485.db2.gz SKAXTKSSDOARER-MRXNPFEDSA-N 1 2 291.391 3.197 20 30 CGEDLO N#CCCCC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762446 347352723 /nfs/dbraw/zinc/35/27/23/347352723.db2.gz WWKMLDGEKUHDRX-OAHLLOKOSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCCCC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000595762446 347352724 /nfs/dbraw/zinc/35/27/24/347352724.db2.gz WWKMLDGEKUHDRX-OAHLLOKOSA-N 1 2 280.318 3.032 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000595510533 347313414 /nfs/dbraw/zinc/31/34/14/347313414.db2.gz LMUREBWBGQVVDG-BSDSXHPESA-N 1 2 284.403 3.267 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000595510533 347313417 /nfs/dbraw/zinc/31/34/17/347313417.db2.gz LMUREBWBGQVVDG-BSDSXHPESA-N 1 2 284.403 3.267 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000595838898 347364340 /nfs/dbraw/zinc/36/43/40/347364340.db2.gz DROKOAXWQCQCCR-AWEZNQCLSA-N 1 2 298.308 3.320 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000595838898 347364342 /nfs/dbraw/zinc/36/43/42/347364342.db2.gz DROKOAXWQCQCCR-AWEZNQCLSA-N 1 2 298.308 3.320 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000595841636 347365467 /nfs/dbraw/zinc/36/54/67/347365467.db2.gz MXWVTOFLKQIZRB-ZDUSSCGKSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000595841636 347365470 /nfs/dbraw/zinc/36/54/70/347365470.db2.gz MXWVTOFLKQIZRB-ZDUSSCGKSA-N 1 2 284.281 3.321 20 30 CGEDLO Cc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841763 347365477 /nfs/dbraw/zinc/36/54/77/347365477.db2.gz NZZDNLJSEGVOGX-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1ccc(Br)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841763 347365480 /nfs/dbraw/zinc/36/54/80/347365480.db2.gz NZZDNLJSEGVOGX-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(=O)OCC)cs1 ZINC000595844588 347367279 /nfs/dbraw/zinc/36/72/79/347367279.db2.gz GSBAETUSCNJHQN-TXEJJXNPSA-N 1 2 292.404 3.003 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(=O)OCC)cs1 ZINC000595844588 347367281 /nfs/dbraw/zinc/36/72/81/347367281.db2.gz GSBAETUSCNJHQN-TXEJJXNPSA-N 1 2 292.404 3.003 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595885861 347369756 /nfs/dbraw/zinc/36/97/56/347369756.db2.gz KGTWONIVZNFLEI-BXUZGUMPSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595885861 347369758 /nfs/dbraw/zinc/36/97/58/347369758.db2.gz KGTWONIVZNFLEI-BXUZGUMPSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885866 347370253 /nfs/dbraw/zinc/37/02/53/347370253.db2.gz KGTWONIVZNFLEI-RISCZKNCSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885866 347370255 /nfs/dbraw/zinc/37/02/55/347370255.db2.gz KGTWONIVZNFLEI-RISCZKNCSA-N 1 2 298.308 3.272 20 30 CGEDLO Cc1cc(N2CCC(C3CCC3)CC2)c(C#N)c[nH+]1 ZINC000596424690 347453820 /nfs/dbraw/zinc/45/38/20/347453820.db2.gz KKLCSDFDWYZSIX-UHFFFAOYSA-N 1 2 255.365 3.278 20 30 CGEDLO Cc1ccc(Cc2noc(CC3(C#N)CCCCC3)n2)c[nH+]1 ZINC000596586320 347482786 /nfs/dbraw/zinc/48/27/86/347482786.db2.gz XJZKLCRSFDDBJY-UHFFFAOYSA-N 1 2 296.374 3.380 20 30 CGEDLO N#C[C@@H]1CCC[C@H](Nc2c[nH+]cc3c2CCCC3)C1 ZINC000597176047 347544434 /nfs/dbraw/zinc/54/44/34/347544434.db2.gz GODUFJMTBIFFQJ-OCCSQVGLSA-N 1 2 255.365 3.455 20 30 CGEDLO COCc1csc(C[N@H+](CCC#N)C(C)C)c1 ZINC000596987284 347524461 /nfs/dbraw/zinc/52/44/61/347524461.db2.gz KLXXNTSXDURGJU-UHFFFAOYSA-N 1 2 252.383 3.019 20 30 CGEDLO COCc1csc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000596987284 347524462 /nfs/dbraw/zinc/52/44/62/347524462.db2.gz KLXXNTSXDURGJU-UHFFFAOYSA-N 1 2 252.383 3.019 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230908 347558598 /nfs/dbraw/zinc/55/85/98/347558598.db2.gz KATGWBJXEAQSND-SFHVURJKSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230908 347558601 /nfs/dbraw/zinc/55/86/01/347558601.db2.gz KATGWBJXEAQSND-SFHVURJKSA-N 1 2 294.402 3.225 20 30 CGEDLO C=CCOc1ccc(C[NH+]2CC(CC#N)C2)cc1Cl ZINC000597194743 347548960 /nfs/dbraw/zinc/54/89/60/347548960.db2.gz ZVMIZGGDXMOJFG-UHFFFAOYSA-N 1 2 276.767 3.250 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccncc2Cl)CCCCC1 ZINC000598987758 347704060 /nfs/dbraw/zinc/70/40/60/347704060.db2.gz MYSBTCPOKCPGQI-UHFFFAOYSA-N 1 2 263.772 3.299 20 30 CGEDLO CC[C@@H](CC#N)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599065963 347713304 /nfs/dbraw/zinc/71/33/04/347713304.db2.gz OAJVKLCUEHEJSP-NSHDSACASA-N 1 2 270.292 3.247 20 30 CGEDLO Cc1cc[nH+]c([C@H]2CCN(c3cccc(F)c3C#N)C2)c1 ZINC000599098949 347716883 /nfs/dbraw/zinc/71/68/83/347716883.db2.gz DXMDHGPICCQZLJ-ZDUSSCGKSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599677566 347764436 /nfs/dbraw/zinc/76/44/36/347764436.db2.gz MKWAEQICIVAKOF-UHFFFAOYSA-N 1 2 283.400 3.076 20 30 CGEDLO Cc1cnc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599677566 347764438 /nfs/dbraw/zinc/76/44/38/347764438.db2.gz MKWAEQICIVAKOF-UHFFFAOYSA-N 1 2 283.400 3.076 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515179 347749982 /nfs/dbraw/zinc/74/99/82/347749982.db2.gz PXIPNSVUBZUNFG-GFCCVEGCSA-N 1 2 250.292 3.058 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515179 347749985 /nfs/dbraw/zinc/74/99/85/347749985.db2.gz PXIPNSVUBZUNFG-GFCCVEGCSA-N 1 2 250.292 3.058 20 30 CGEDLO CC(C)C[C@@H](C(=O)N(C)c1cccc(C#N)c1)n1cc[nH+]c1 ZINC000602081087 347935769 /nfs/dbraw/zinc/93/57/69/347935769.db2.gz ZQJYZCOUYCPVIH-INIZCTEOSA-N 1 2 296.374 3.005 20 30 CGEDLO CSc1ccc(N[C@H](C)CC2(C#N)CCOCC2)[nH+]c1 ZINC000602566715 347984279 /nfs/dbraw/zinc/98/42/79/347984279.db2.gz ASPMJYMREKNUPY-GFCCVEGCSA-N 1 2 291.420 3.314 20 30 CGEDLO N#Cc1ccc(OC2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000603287076 348068325 /nfs/dbraw/zinc/06/83/25/348068325.db2.gz CVHCIFQXDPFLTR-UHFFFAOYSA-N 1 2 297.333 3.140 20 30 CGEDLO Cc1cc([C@H]2C[N@H+](CC3(CC#N)CC3)CCO2)ccc1F ZINC000602799386 348031404 /nfs/dbraw/zinc/03/14/04/348031404.db2.gz ODELBEQHOUSFFS-MRXNPFEDSA-N 1 2 288.366 3.201 20 30 CGEDLO Cc1cc([C@H]2C[N@@H+](CC3(CC#N)CC3)CCO2)ccc1F ZINC000602799386 348031407 /nfs/dbraw/zinc/03/14/07/348031407.db2.gz ODELBEQHOUSFFS-MRXNPFEDSA-N 1 2 288.366 3.201 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C2CCC2)no1)c1cccc(C#N)c1 ZINC000602805026 348031412 /nfs/dbraw/zinc/03/14/12/348031412.db2.gz JSDRAAYSJFYBEM-NSHDSACASA-N 1 2 282.347 3.060 20 30 CGEDLO C[C@H]([NH2+]CC1(CC#N)CC1)c1nc(C2CCCCC2)no1 ZINC000602807020 348032084 /nfs/dbraw/zinc/03/20/84/348032084.db2.gz HBTSQXTVHWBISX-LBPRGKRZSA-N 1 2 288.395 3.462 20 30 CGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000602863588 348038018 /nfs/dbraw/zinc/03/80/18/348038018.db2.gz ORJQNWQHIFAEKC-STQMWFEESA-N 1 2 281.359 3.059 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1nc(-c2c(F)cccc2F)cs1 ZINC000602867009 348038333 /nfs/dbraw/zinc/03/83/33/348038333.db2.gz BACDGKIWSCUCEH-SECBINFHSA-N 1 2 293.342 3.480 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000602863585 348038359 /nfs/dbraw/zinc/03/83/59/348038359.db2.gz ORJQNWQHIFAEKC-OLZOCXBDSA-N 1 2 281.359 3.059 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC000602870631 348039277 /nfs/dbraw/zinc/03/92/77/348039277.db2.gz NZZDSLAPVYVTNA-CQSZACIVSA-N 1 2 281.359 3.052 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCC[C@@H]1C#N ZINC000602976127 348048442 /nfs/dbraw/zinc/04/84/42/348048442.db2.gz LFXNFBRIEJOVLH-YPMHNXCESA-N 1 2 271.389 3.420 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCC[C@@H]1C#N ZINC000602976127 348048446 /nfs/dbraw/zinc/04/84/46/348048446.db2.gz LFXNFBRIEJOVLH-YPMHNXCESA-N 1 2 271.389 3.420 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000603842777 348097879 /nfs/dbraw/zinc/09/78/79/348097879.db2.gz CXRFWQGFHDVCTL-AWEZNQCLSA-N 1 2 279.343 3.480 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000609486600 348345243 /nfs/dbraw/zinc/34/52/43/348345243.db2.gz NNYWHAUIWIOKAJ-PBHICJAKSA-N 1 2 289.398 3.052 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3noc4c3CCCC4)CC2)c1 ZINC000611396110 348446463 /nfs/dbraw/zinc/44/64/63/348446463.db2.gz BXMJQXMFTJHJMB-UHFFFAOYSA-N 1 2 293.370 3.204 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611519690 348458108 /nfs/dbraw/zinc/45/81/08/348458108.db2.gz KQCQIXRQWZUVTO-GHMZBOCLSA-N 1 2 254.337 3.002 20 30 CGEDLO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000611587934 348462259 /nfs/dbraw/zinc/46/22/59/348462259.db2.gz OBNYEKPFYUMOFQ-GFCCVEGCSA-N 1 2 286.354 3.326 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000611586633 348462644 /nfs/dbraw/zinc/46/26/44/348462644.db2.gz FSXJUYXZJAPVSH-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000612164054 348498367 /nfs/dbraw/zinc/49/83/67/348498367.db2.gz XIYDNCUPYWVGLD-QGZVFWFLSA-N 1 2 281.359 3.467 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000612164054 348498368 /nfs/dbraw/zinc/49/83/68/348498368.db2.gz XIYDNCUPYWVGLD-QGZVFWFLSA-N 1 2 281.359 3.467 20 30 CGEDLO COc1ccccc1/C=C\C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406240 348517240 /nfs/dbraw/zinc/51/72/40/348517240.db2.gz KFVUNWVNTXORRT-AFCDSYGPSA-N 1 2 270.376 3.334 20 30 CGEDLO COc1ccccc1/C=C\C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406240 348517243 /nfs/dbraw/zinc/51/72/43/348517243.db2.gz KFVUNWVNTXORRT-AFCDSYGPSA-N 1 2 270.376 3.334 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000612585191 348530460 /nfs/dbraw/zinc/53/04/60/348530460.db2.gz RDARFDJJFOFHLH-UHFFFAOYSA-N 1 2 299.330 3.494 20 30 CGEDLO C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)Cn1cc[nH+]c1 ZINC000613414525 348599276 /nfs/dbraw/zinc/59/92/76/348599276.db2.gz CJZHMBMAQBPNTO-ZDUSSCGKSA-N 1 2 297.406 3.195 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000615136818 348716549 /nfs/dbraw/zinc/71/65/49/348716549.db2.gz AHNZWNSXQXRDKJ-OAHLLOKOSA-N 1 2 286.404 3.264 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000615136818 348716553 /nfs/dbraw/zinc/71/65/53/348716553.db2.gz AHNZWNSXQXRDKJ-OAHLLOKOSA-N 1 2 286.404 3.264 20 30 CGEDLO C[C@]1(C#N)CCCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000614991360 348706171 /nfs/dbraw/zinc/70/61/71/348706171.db2.gz PHRBDKCZFWQWGV-GOSISDBHSA-N 1 2 294.402 3.057 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000617043445 348907120 /nfs/dbraw/zinc/90/71/20/348907120.db2.gz ABSHZHYXQZTHFU-RBSFLKMASA-N 1 2 275.396 3.085 20 30 CGEDLO C=CCOCC[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626137188 350268656 /nfs/dbraw/zinc/26/86/56/350268656.db2.gz WYIPRBRBGCUUGG-OAHLLOKOSA-N 1 2 283.362 3.387 20 30 CGEDLO C=CCOCC[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626137188 350268659 /nfs/dbraw/zinc/26/86/59/350268659.db2.gz WYIPRBRBGCUUGG-OAHLLOKOSA-N 1 2 283.362 3.387 20 30 CGEDLO Cc1cc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)[nH]n1 ZINC000336499722 213374460 /nfs/dbraw/zinc/37/44/60/213374460.db2.gz VEBIVJZBGOFDPF-UHFFFAOYSA-N 1 2 298.365 3.109 20 30 CGEDLO Cc1cc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n[nH]1 ZINC000336499722 213374461 /nfs/dbraw/zinc/37/44/61/213374461.db2.gz VEBIVJZBGOFDPF-UHFFFAOYSA-N 1 2 298.365 3.109 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635552243 351668354 /nfs/dbraw/zinc/66/83/54/351668354.db2.gz PXSZUNUHZPLDOF-HUUCEWRRSA-N 1 2 287.407 3.108 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635552243 351668359 /nfs/dbraw/zinc/66/83/59/351668359.db2.gz PXSZUNUHZPLDOF-HUUCEWRRSA-N 1 2 287.407 3.108 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)no1 ZINC000122874422 187057230 /nfs/dbraw/zinc/05/72/30/187057230.db2.gz SRUQXHCPKZWAON-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)no1 ZINC000122874422 187057231 /nfs/dbraw/zinc/05/72/31/187057231.db2.gz SRUQXHCPKZWAON-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO CC#CCC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000155896589 188233745 /nfs/dbraw/zinc/23/37/45/188233745.db2.gz OXXOXEFYKFWGRJ-UHFFFAOYSA-N 1 2 262.300 3.007 20 30 CGEDLO CC#CCC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000155896589 188233746 /nfs/dbraw/zinc/23/37/46/188233746.db2.gz OXXOXEFYKFWGRJ-UHFFFAOYSA-N 1 2 262.300 3.007 20 30 CGEDLO N#CC1(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000335872499 283046302 /nfs/dbraw/zinc/04/63/02/283046302.db2.gz ZRQOLOWZXGIIBA-NSHDSACASA-N 1 2 262.303 3.058 20 30 CGEDLO N#CC1(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000335872499 283046306 /nfs/dbraw/zinc/04/63/06/283046306.db2.gz ZRQOLOWZXGIIBA-NSHDSACASA-N 1 2 262.303 3.058 20 30 CGEDLO N#Cc1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000413039821 235246822 /nfs/dbraw/zinc/24/68/22/235246822.db2.gz IUPKZOSQLUBYQE-UHFFFAOYSA-N 1 2 297.337 3.221 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000273576009 192212160 /nfs/dbraw/zinc/21/21/60/192212160.db2.gz GBAOFSJOUPYUQT-VHSXEESVSA-N 1 2 272.377 3.130 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000177745196 189066830 /nfs/dbraw/zinc/06/68/30/189066830.db2.gz NUYMOJDXVAKIFE-OAHLLOKOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000177745196 189066831 /nfs/dbraw/zinc/06/68/31/189066831.db2.gz NUYMOJDXVAKIFE-OAHLLOKOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000181926430 189310381 /nfs/dbraw/zinc/31/03/81/189310381.db2.gz YPWPHRVINBDLSU-HNNXBMFYSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000181926430 189310382 /nfs/dbraw/zinc/31/03/82/189310382.db2.gz YPWPHRVINBDLSU-HNNXBMFYSA-N 1 2 298.411 3.063 20 30 CGEDLO C=C(Br)C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184827935 189396875 /nfs/dbraw/zinc/39/68/75/189396875.db2.gz HXMVTNJVZMHSMR-LLVKDONJSA-N 1 2 288.185 3.028 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000120294255 370755684 /nfs/dbraw/zinc/75/56/84/370755684.db2.gz ZQRJYLLJEMFZGM-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000120294255 370755689 /nfs/dbraw/zinc/75/56/89/370755689.db2.gz ZQRJYLLJEMFZGM-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450723740 240055637 /nfs/dbraw/zinc/05/56/37/240055637.db2.gz JXTTVKLTGRYSTA-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO COc1cccc(C[NH+]2CCC(C#N)CC2)c1OC(F)F ZINC000123724879 370914251 /nfs/dbraw/zinc/91/42/51/370914251.db2.gz YJNQCJPLUYRUDD-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000028922364 368890673 /nfs/dbraw/zinc/89/06/73/368890673.db2.gz IGJFAFCGRVANKB-LBPRGKRZSA-N 1 2 291.782 3.224 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000028922364 368890675 /nfs/dbraw/zinc/89/06/75/368890675.db2.gz IGJFAFCGRVANKB-LBPRGKRZSA-N 1 2 291.782 3.224 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)ccc1OC)C[C@H](C)C#N ZINC000042323795 369213404 /nfs/dbraw/zinc/21/34/04/369213404.db2.gz XCLYIGRNXCIKRZ-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)ccc1OC)C[C@H](C)C#N ZINC000042323795 369213408 /nfs/dbraw/zinc/21/34/08/369213408.db2.gz XCLYIGRNXCIKRZ-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Br)ccc1OC ZINC000042451106 369222335 /nfs/dbraw/zinc/22/23/35/369222335.db2.gz ARVFKQVEWFWEAZ-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Br)ccc1OC ZINC000042451106 369222340 /nfs/dbraw/zinc/22/23/40/369222340.db2.gz ARVFKQVEWFWEAZ-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(Br)c1 ZINC000042451110 369222819 /nfs/dbraw/zinc/22/28/19/369222819.db2.gz WVATYXQKMUMAJP-UHFFFAOYSA-N 1 2 267.170 3.185 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(Br)c1 ZINC000042451110 369222822 /nfs/dbraw/zinc/22/28/22/369222822.db2.gz WVATYXQKMUMAJP-UHFFFAOYSA-N 1 2 267.170 3.185 20 30 CGEDLO CCCc1noc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000054340681 369502011 /nfs/dbraw/zinc/50/20/11/369502011.db2.gz WLOCCEGYDPHDMI-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCc1noc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000054340681 369502012 /nfs/dbraw/zinc/50/20/12/369502012.db2.gz WLOCCEGYDPHDMI-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000054886732 369507826 /nfs/dbraw/zinc/50/78/26/369507826.db2.gz PTCDIJOWUMWHLS-UHFFFAOYSA-N 1 2 293.794 3.342 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(C2CC2)n1 ZINC000065959251 369686511 /nfs/dbraw/zinc/68/65/11/369686511.db2.gz OSBHCBVBHWGYMO-UHFFFAOYSA-N 1 2 283.375 3.178 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(C2CC2)n1 ZINC000065959251 369686518 /nfs/dbraw/zinc/68/65/18/369686518.db2.gz OSBHCBVBHWGYMO-UHFFFAOYSA-N 1 2 283.375 3.178 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(Cl)s1)C1CCCC1 ZINC000491743824 332321581 /nfs/dbraw/zinc/32/15/81/332321581.db2.gz WVLPTHWYSZNESE-UHFFFAOYSA-N 1 2 254.786 3.174 20 30 CGEDLO C#CC[N@H+](Cc1ncc(Cl)s1)C1CCCC1 ZINC000491743824 332321582 /nfs/dbraw/zinc/32/15/82/332321582.db2.gz WVLPTHWYSZNESE-UHFFFAOYSA-N 1 2 254.786 3.174 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084088494 370011659 /nfs/dbraw/zinc/01/16/59/370011659.db2.gz LRKHKCYMZQLBOD-UHFFFAOYSA-N 1 2 291.420 3.196 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084088494 370011665 /nfs/dbraw/zinc/01/16/65/370011665.db2.gz LRKHKCYMZQLBOD-UHFFFAOYSA-N 1 2 291.420 3.196 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)ccc1F)C[C@H](C)C#N ZINC000091983675 370085300 /nfs/dbraw/zinc/08/53/00/370085300.db2.gz CHEXPGYAILNROH-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)ccc1F)C[C@H](C)C#N ZINC000091983675 370085306 /nfs/dbraw/zinc/08/53/06/370085306.db2.gz CHEXPGYAILNROH-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO C=CC[N@H+](Cc1cncs1)Cc1ccc(OC)cc1 ZINC000092217486 370095074 /nfs/dbraw/zinc/09/50/74/370095074.db2.gz SIWHRNKKAAVMLE-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1cncs1)Cc1ccc(OC)cc1 ZINC000092217486 370095077 /nfs/dbraw/zinc/09/50/77/370095077.db2.gz SIWHRNKKAAVMLE-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(Cl)c1OC ZINC000093090685 370108302 /nfs/dbraw/zinc/10/83/02/370108302.db2.gz YVIOYKJGICJPOB-SNVBAGLBSA-N 1 2 282.771 3.091 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(Cl)c1OC ZINC000093090685 370108304 /nfs/dbraw/zinc/10/83/04/370108304.db2.gz YVIOYKJGICJPOB-SNVBAGLBSA-N 1 2 282.771 3.091 20 30 CGEDLO COC(=O)c1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101072 370109367 /nfs/dbraw/zinc/10/93/67/370109367.db2.gz PKBODPDXBNPURX-UHFFFAOYSA-N 1 2 288.391 3.235 20 30 CGEDLO COC(=O)c1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101072 370109371 /nfs/dbraw/zinc/10/93/71/370109371.db2.gz PKBODPDXBNPURX-UHFFFAOYSA-N 1 2 288.391 3.235 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000109811856 370365755 /nfs/dbraw/zinc/36/57/55/370365755.db2.gz FMBMBHRZJNCJCE-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000109811856 370365758 /nfs/dbraw/zinc/36/57/58/370365758.db2.gz FMBMBHRZJNCJCE-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO N#CCSCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112182985 370412623 /nfs/dbraw/zinc/41/26/23/370412623.db2.gz DJLCXYSUTKQPPF-UHFFFAOYSA-N 1 2 299.355 3.069 20 30 CGEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000130637498 371048442 /nfs/dbraw/zinc/04/84/42/371048442.db2.gz TWRXDQVNIWLKLJ-GUYCJALGSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000130637498 371048447 /nfs/dbraw/zinc/04/84/47/371048447.db2.gz TWRXDQVNIWLKLJ-GUYCJALGSA-N 1 2 282.343 3.113 20 30 CGEDLO COc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1C#N ZINC000135156656 371395842 /nfs/dbraw/zinc/39/58/42/371395842.db2.gz MEOMCKHEKZXKFC-HNNXBMFYSA-N 1 2 296.374 3.017 20 30 CGEDLO CC[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1[nH]cc[nH+]1 ZINC000139834398 371508658 /nfs/dbraw/zinc/50/86/58/371508658.db2.gz HAULGQJFDSWDTP-SECBINFHSA-N 1 2 295.268 3.258 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287204848 371620393 /nfs/dbraw/zinc/62/03/93/371620393.db2.gz DSOXGBWJTFCZPD-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287204848 371620398 /nfs/dbraw/zinc/62/03/98/371620398.db2.gz DSOXGBWJTFCZPD-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000288991429 371748474 /nfs/dbraw/zinc/74/84/74/371748474.db2.gz JAQLFVNKUSRLOB-LBPRGKRZSA-N 1 2 295.346 3.387 20 30 CGEDLO Cc1cc(N[C@H]2CCCc3c(F)cccc32)c(C#N)c[nH+]1 ZINC000425266396 372118751 /nfs/dbraw/zinc/11/87/51/372118751.db2.gz HRQIDXCSBBLHIA-INIZCTEOSA-N 1 2 281.334 3.312 20 30 CGEDLO Cc1cccc(CCCNc2ccc(C#N)c([N+](=O)[O-])c2)[nH+]1 ZINC000291250007 372146492 /nfs/dbraw/zinc/14/64/92/372146492.db2.gz YGMBQWSMKMGRCX-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO Cc1nc2ccc(C[N@@H+](C)[C@@H](C)CC#N)cc2s1 ZINC000426394023 372155774 /nfs/dbraw/zinc/15/57/74/372155774.db2.gz CABSXYKXBDJYCE-JTQLQIEISA-N 1 2 259.378 3.339 20 30 CGEDLO Cc1nc2ccc(C[N@H+](C)[C@@H](C)CC#N)cc2s1 ZINC000426394023 372155783 /nfs/dbraw/zinc/15/57/83/372155783.db2.gz CABSXYKXBDJYCE-JTQLQIEISA-N 1 2 259.378 3.339 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1C#N ZINC000428463591 372212151 /nfs/dbraw/zinc/21/21/51/372212151.db2.gz WNLXQLDMFWFORZ-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1C#N ZINC000428463591 372212155 /nfs/dbraw/zinc/21/21/55/372212155.db2.gz WNLXQLDMFWFORZ-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCOc1cc(C)ccc1C ZINC000428856628 372270714 /nfs/dbraw/zinc/27/07/14/372270714.db2.gz NSHLHEVHCXKMFE-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCOc1cc(C)ccc1C ZINC000428856628 372270723 /nfs/dbraw/zinc/27/07/23/372270723.db2.gz NSHLHEVHCXKMFE-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO CCc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cn1 ZINC000430114980 372384409 /nfs/dbraw/zinc/38/44/09/372384409.db2.gz ANPNTXOUIPYEKS-MJGOQNOKSA-N 1 2 291.398 3.383 20 30 CGEDLO CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)cn1 ZINC000430114980 372384410 /nfs/dbraw/zinc/38/44/10/372384410.db2.gz ANPNTXOUIPYEKS-MJGOQNOKSA-N 1 2 291.398 3.383 20 30 CGEDLO C=CCC(F)(F)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000293678125 372448225 /nfs/dbraw/zinc/44/82/25/372448225.db2.gz RDNGNEVOOMXRME-GFCCVEGCSA-N 1 2 297.349 3.168 20 30 CGEDLO C=CC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431410095 372468007 /nfs/dbraw/zinc/46/80/07/372468007.db2.gz MCKSUATZSRTHCH-UHFFFAOYSA-N 1 2 259.328 3.115 20 30 CGEDLO C=CCCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000171441838 372761976 /nfs/dbraw/zinc/76/19/76/372761976.db2.gz XWCDYRNXWATMQN-UHFFFAOYSA-N 1 2 269.348 3.206 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000438600532 372968251 /nfs/dbraw/zinc/96/82/51/372968251.db2.gz NVRXQNFOXHCCMT-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000438600532 372968257 /nfs/dbraw/zinc/96/82/57/372968257.db2.gz NVRXQNFOXHCCMT-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO CC#CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439463936 372978460 /nfs/dbraw/zinc/97/84/60/372978460.db2.gz CEFAZNMVVDNSTF-UHFFFAOYSA-N 1 2 256.324 3.079 20 30 CGEDLO CC#CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439463936 372978468 /nfs/dbraw/zinc/97/84/68/372978468.db2.gz CEFAZNMVVDNSTF-UHFFFAOYSA-N 1 2 256.324 3.079 20 30 CGEDLO CCN(CC)c1ccc(N[C@@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000442848688 373103610 /nfs/dbraw/zinc/10/36/10/373103610.db2.gz SIMFBAYYISYLPF-QWHCGFSZSA-N 1 2 258.369 3.032 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000442867598 373112523 /nfs/dbraw/zinc/11/25/23/373112523.db2.gz OLZFTZRJROYAJT-OAHLLOKOSA-N 1 2 257.337 3.412 20 30 CGEDLO COc1cc(C[N@@H+]2CCc3c(F)cccc3C2)ccc1C#N ZINC000442886124 373119182 /nfs/dbraw/zinc/11/91/82/373119182.db2.gz QCQVXMNAFSFIJQ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C[N@H+]2CCc3c(F)cccc3C2)ccc1C#N ZINC000442886124 373119191 /nfs/dbraw/zinc/11/91/91/373119191.db2.gz QCQVXMNAFSFIJQ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCn1ccnc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000296743493 373232993 /nfs/dbraw/zinc/23/29/93/373232993.db2.gz JNNGZCNNQDQTQZ-ZDUSSCGKSA-N 1 2 280.375 3.115 20 30 CGEDLO C=C(C[NH2+][C@H](c1ncc[nH]1)c1ccccn1)c1ccccc1 ZINC000447545018 373448480 /nfs/dbraw/zinc/44/84/80/373448480.db2.gz QFBRMFCUKMUDNZ-KRWDZBQOSA-N 1 2 290.370 3.197 20 30 CGEDLO C=C(CN[C@H](c1[nH]cc[nH+]1)c1ccccn1)c1ccccc1 ZINC000447545018 373448485 /nfs/dbraw/zinc/44/84/85/373448485.db2.gz QFBRMFCUKMUDNZ-KRWDZBQOSA-N 1 2 290.370 3.197 20 30 CGEDLO C=CC[N@@H+](Cc1ncnn1CCC)CC1CCCCC1 ZINC000447850238 373507702 /nfs/dbraw/zinc/50/77/02/373507702.db2.gz LOWZFDAODHEYIV-UHFFFAOYSA-N 1 2 276.428 3.256 20 30 CGEDLO C=CC[N@H+](Cc1ncnn1CCC)CC1CCCCC1 ZINC000447850238 373507707 /nfs/dbraw/zinc/50/77/07/373507707.db2.gz LOWZFDAODHEYIV-UHFFFAOYSA-N 1 2 276.428 3.256 20 30 CGEDLO CCS[C@H]1CCC[C@@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000176413901 373593671 /nfs/dbraw/zinc/59/36/71/373593671.db2.gz HHVXMZXHDLHWQU-QPBATNEMSA-N 1 2 295.404 3.287 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000175994902 373546085 /nfs/dbraw/zinc/54/60/85/373546085.db2.gz FMRKOVNZUDVCPE-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000175994902 373546096 /nfs/dbraw/zinc/54/60/96/373546096.db2.gz FMRKOVNZUDVCPE-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000177074120 373653615 /nfs/dbraw/zinc/65/36/15/373653615.db2.gz VRYVFYOKYHJSPU-DZKIICNBSA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000177074120 373653624 /nfs/dbraw/zinc/65/36/24/373653624.db2.gz VRYVFYOKYHJSPU-DZKIICNBSA-N 1 2 253.349 3.123 20 30 CGEDLO N#Cc1cccc(NCCNc2ccc3ccccc3[nH+]2)n1 ZINC000301351616 373756880 /nfs/dbraw/zinc/75/68/80/373756880.db2.gz LOANNADCNOZOPH-UHFFFAOYSA-N 1 2 289.342 3.025 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)OCC ZINC000449659228 373838841 /nfs/dbraw/zinc/83/88/41/373838841.db2.gz VNBYULIWKYYCKC-HNNXBMFYSA-N 1 2 286.375 3.155 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc2ncccc2c1)C(=O)OCC ZINC000449651825 373838151 /nfs/dbraw/zinc/83/81/51/373838151.db2.gz AGGCWKCAIIWCFE-KRWDZBQOSA-N 1 2 298.386 3.222 20 30 CGEDLO C=CCCC[C@@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302854778 373984991 /nfs/dbraw/zinc/98/49/91/373984991.db2.gz RHICLGZSNQRHMS-CYBMUJFWSA-N 1 2 292.452 3.187 20 30 CGEDLO C=CCCC[C@@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302854778 373984995 /nfs/dbraw/zinc/98/49/95/373984995.db2.gz RHICLGZSNQRHMS-CYBMUJFWSA-N 1 2 292.452 3.187 20 30 CGEDLO C=CC1CC[NH+](Cc2nnc(C(C)C)s2)CC1 ZINC000450384577 374093605 /nfs/dbraw/zinc/09/36/05/374093605.db2.gz BPWLMWIBSKPFGE-UHFFFAOYSA-N 1 2 251.399 3.060 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1Cl ZINC000450487134 374155273 /nfs/dbraw/zinc/15/52/73/374155273.db2.gz UJLGJSWRGBSOLC-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1Cl ZINC000450487134 374155277 /nfs/dbraw/zinc/15/52/77/374155277.db2.gz UJLGJSWRGBSOLC-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@@H](O)C3CCCCC3)ccc2[nH+]1 ZINC000328621720 374370040 /nfs/dbraw/zinc/37/00/40/374370040.db2.gz XTZFCBXGUYAEBX-HNNXBMFYSA-N 1 2 287.363 3.172 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)ccc2[nH+]1 ZINC000328920647 374393415 /nfs/dbraw/zinc/39/34/15/374393415.db2.gz LYKNYCVUCCCNFM-CMPLNLGQSA-N 1 2 285.347 3.236 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000328865534 374389285 /nfs/dbraw/zinc/38/92/85/374389285.db2.gz WLIKZLRJMDJDGH-SGMGOOAPSA-N 1 2 288.395 3.460 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1F ZINC000334355342 374680099 /nfs/dbraw/zinc/68/00/99/374680099.db2.gz KRKJNLLUVLONCS-OAHLLOKOSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1F ZINC000334355342 374680107 /nfs/dbraw/zinc/68/01/07/374680107.db2.gz KRKJNLLUVLONCS-OAHLLOKOSA-N 1 2 284.338 3.148 20 30 CGEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459767287 374818808 /nfs/dbraw/zinc/81/88/08/374818808.db2.gz PJLTUSBDZRPDMD-UHFFFAOYSA-N 1 2 273.336 3.087 20 30 CGEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459767287 374818814 /nfs/dbraw/zinc/81/88/14/374818814.db2.gz PJLTUSBDZRPDMD-UHFFFAOYSA-N 1 2 273.336 3.087 20 30 CGEDLO Cc1cc2[nH]c(C[N@@H+](C)C[C@@H](C)C#N)cc2c(C)c1 ZINC000481887795 375167776 /nfs/dbraw/zinc/16/77/76/375167776.db2.gz CMHFLQDIXYQCBG-LBPRGKRZSA-N 1 2 255.365 3.376 20 30 CGEDLO Cc1cc2[nH]c(C[N@H+](C)C[C@@H](C)C#N)cc2c(C)c1 ZINC000481887795 375167778 /nfs/dbraw/zinc/16/77/78/375167778.db2.gz CMHFLQDIXYQCBG-LBPRGKRZSA-N 1 2 255.365 3.376 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)s1 ZINC000487695511 375267526 /nfs/dbraw/zinc/26/75/26/375267526.db2.gz MRWOWMAXLCJXOT-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(F)c1C#N)CCC2 ZINC000335856020 375487399 /nfs/dbraw/zinc/48/73/99/375487399.db2.gz NELFMIYGTXVXQN-LBPRGKRZSA-N 1 2 284.338 3.192 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000504095145 375653556 /nfs/dbraw/zinc/65/35/56/375653556.db2.gz PKMJFWVHKWHJHI-AWEZNQCLSA-N 1 2 274.408 3.454 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000504095145 375653561 /nfs/dbraw/zinc/65/35/61/375653561.db2.gz PKMJFWVHKWHJHI-AWEZNQCLSA-N 1 2 274.408 3.454 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](C(N)=O)C1 ZINC000336610753 375872840 /nfs/dbraw/zinc/87/28/40/375872840.db2.gz ATTHWYCESRYUOV-HZMBPMFUSA-N 1 2 291.782 3.347 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C(N)=O)C1 ZINC000336610753 375872848 /nfs/dbraw/zinc/87/28/48/375872848.db2.gz ATTHWYCESRYUOV-HZMBPMFUSA-N 1 2 291.782 3.347 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000529545394 375927900 /nfs/dbraw/zinc/92/79/00/375927900.db2.gz VZLVJHJFMWOTEL-QMMMGPOBSA-N 1 2 258.699 3.400 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C[C@@H](C)C#N ZINC000535787362 376062279 /nfs/dbraw/zinc/06/22/79/376062279.db2.gz XYVNIIXUPPRCOZ-STQMWFEESA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C[C@@H](C)C#N ZINC000535787362 376062284 /nfs/dbraw/zinc/06/22/84/376062284.db2.gz XYVNIIXUPPRCOZ-STQMWFEESA-N 1 2 288.391 3.000 20 30 CGEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(C)(C)C#N)CCCC1 ZINC000538464992 376243054 /nfs/dbraw/zinc/24/30/54/376243054.db2.gz ODROKIRYZKCFPB-UHFFFAOYSA-N 1 2 280.412 3.170 20 30 CGEDLO CC(C)COc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000338919509 376575759 /nfs/dbraw/zinc/57/57/59/376575759.db2.gz VTSSRUXPFPWCSQ-AWEZNQCLSA-N 1 2 260.381 3.313 20 30 CGEDLO CC(C)COc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000338919509 376575770 /nfs/dbraw/zinc/57/57/70/376575770.db2.gz VTSSRUXPFPWCSQ-AWEZNQCLSA-N 1 2 260.381 3.313 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c(F)cccc2F)c1 ZINC000545220062 376801160 /nfs/dbraw/zinc/80/11/60/376801160.db2.gz MRZNDGABOVDITF-UHFFFAOYSA-N 1 2 259.259 3.038 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCCNc1ccnc(C#N)c1 ZINC000339970651 376885956 /nfs/dbraw/zinc/88/59/56/376885956.db2.gz KZIBATHKGWQJMM-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cccs1 ZINC000248084749 377265885 /nfs/dbraw/zinc/26/58/85/377265885.db2.gz JTYLCIGNRZBSRJ-AWEZNQCLSA-N 1 2 292.448 3.137 20 30 CGEDLO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1cccs1 ZINC000248084749 377265892 /nfs/dbraw/zinc/26/58/92/377265892.db2.gz JTYLCIGNRZBSRJ-AWEZNQCLSA-N 1 2 292.448 3.137 20 30 CGEDLO COc1cccc2c(N3CCC(CC#N)CC3)cc[nH+]c12 ZINC000562474217 377315174 /nfs/dbraw/zinc/31/51/74/377315174.db2.gz YWDSUOIHEWZVEB-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO C=CCN(CCc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563221376 377423473 /nfs/dbraw/zinc/42/34/73/377423473.db2.gz ACCBIJLLFBRZCZ-INIZCTEOSA-N 1 2 297.402 3.092 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000565478291 377487434 /nfs/dbraw/zinc/48/74/34/377487434.db2.gz WABYVXQLDDINRP-VIFPVBQESA-N 1 2 254.786 3.452 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2sc(Cl)cc2C1 ZINC000565478291 377487438 /nfs/dbraw/zinc/48/74/38/377487438.db2.gz WABYVXQLDDINRP-VIFPVBQESA-N 1 2 254.786 3.452 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000572972019 377552644 /nfs/dbraw/zinc/55/26/44/377552644.db2.gz MJWIEQIHIOBDCH-RYUDHWBXSA-N 1 2 291.420 3.017 20 30 CGEDLO CC(C)(C)[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000270629118 378377882 /nfs/dbraw/zinc/37/78/82/378377882.db2.gz UQQLXQNZYGXKPP-DRMGDSRLSA-N 1 2 261.365 3.405 20 30 CGEDLO C=CCN(CCc1ccco1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000272436917 378637058 /nfs/dbraw/zinc/63/70/58/378637058.db2.gz NZYNFDWFTMWRQO-UHFFFAOYSA-N 1 2 285.347 3.246 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ncnn1CCC)Cc1ccccc1 ZINC000348232591 378852894 /nfs/dbraw/zinc/85/28/94/378852894.db2.gz IYFGLYZCBBMXQU-UHFFFAOYSA-N 1 2 284.407 3.266 20 30 CGEDLO C=C(C)C[N@H+](Cc1ncnn1CCC)Cc1ccccc1 ZINC000348232591 378852902 /nfs/dbraw/zinc/85/29/02/378852902.db2.gz IYFGLYZCBBMXQU-UHFFFAOYSA-N 1 2 284.407 3.266 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC12CCC2 ZINC000347034983 218100434 /nfs/dbraw/zinc/10/04/34/218100434.db2.gz PPMWTUVVOFZNRF-UHFFFAOYSA-N 1 2 291.192 3.449 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC12CCC2 ZINC000347034983 218100435 /nfs/dbraw/zinc/10/04/35/218100435.db2.gz PPMWTUVVOFZNRF-UHFFFAOYSA-N 1 2 291.192 3.449 20 30 CGEDLO C=CCCCC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277431843 379158435 /nfs/dbraw/zinc/15/84/35/379158435.db2.gz DXLLYKLQJNQNQT-UHFFFAOYSA-N 1 2 277.412 3.040 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540700 379456664 /nfs/dbraw/zinc/45/66/64/379456664.db2.gz YGEGOUAVIXZIQC-QWHCGFSZSA-N 1 2 299.340 3.484 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540700 379456671 /nfs/dbraw/zinc/45/66/71/379456671.db2.gz YGEGOUAVIXZIQC-QWHCGFSZSA-N 1 2 299.340 3.484 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375345434 379493111 /nfs/dbraw/zinc/49/31/11/379493111.db2.gz ONGGJNITDFMATA-CJNGLKHVSA-N 1 2 296.374 3.038 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375345434 379493120 /nfs/dbraw/zinc/49/31/20/379493120.db2.gz ONGGJNITDFMATA-CJNGLKHVSA-N 1 2 296.374 3.038 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1ccccc1F ZINC000639863730 379612150 /nfs/dbraw/zinc/61/21/50/379612150.db2.gz NVUDULFLDDXWHZ-BETUJISGSA-N 1 2 259.324 3.191 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1ccccc1F ZINC000639863730 379612151 /nfs/dbraw/zinc/61/21/51/379612151.db2.gz NVUDULFLDDXWHZ-BETUJISGSA-N 1 2 259.324 3.191 20 30 CGEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(C(C)C)cc2)nn1 ZINC000641131918 379950294 /nfs/dbraw/zinc/95/02/94/379950294.db2.gz YEVRNKJRRNMYGB-HNNXBMFYSA-N 1 2 296.418 3.124 20 30 CGEDLO COC(=O)C1([NH2+]CCC2(C#N)CCCCC2)CCCCC1 ZINC000411268841 380136225 /nfs/dbraw/zinc/13/62/25/380136225.db2.gz AUKIBLAICQJCFZ-UHFFFAOYSA-N 1 2 292.423 3.316 20 30 CGEDLO CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)C[C@H](C)C#N ZINC000411211418 380137069 /nfs/dbraw/zinc/13/70/69/380137069.db2.gz SGFANHHCQVAQKQ-GFCCVEGCSA-N 1 2 287.338 3.462 20 30 CGEDLO CC[N@H+](Cc1ccc(-c2ncco2)cc1F)C[C@H](C)C#N ZINC000411211418 380137072 /nfs/dbraw/zinc/13/70/72/380137072.db2.gz SGFANHHCQVAQKQ-GFCCVEGCSA-N 1 2 287.338 3.462 20 30 CGEDLO CC(C)C1(c2ccccc2)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000414145934 380193436 /nfs/dbraw/zinc/19/34/36/380193436.db2.gz BLGCTTWXCWNQTE-MRXNPFEDSA-N 1 2 281.403 3.340 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000642269709 380158365 /nfs/dbraw/zinc/15/83/65/380158365.db2.gz CNZTZTOFSDFERV-YPMHNXCESA-N 1 2 298.321 3.006 20 30 CGEDLO C[N@H+](Cc1cnc(C(C)(C)C)s1)CC(C)(C)C#N ZINC000354019126 380282167 /nfs/dbraw/zinc/28/21/67/380282167.db2.gz UOVZWHZSTTVRAN-UHFFFAOYSA-N 1 2 265.426 3.422 20 30 CGEDLO C[N@@H+](Cc1cnc(C(C)(C)C)s1)CC(C)(C)C#N ZINC000354019126 380282172 /nfs/dbraw/zinc/28/21/72/380282172.db2.gz UOVZWHZSTTVRAN-UHFFFAOYSA-N 1 2 265.426 3.422 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccn2)s1)CC(C)(C)C#N ZINC000354034760 380290150 /nfs/dbraw/zinc/29/01/50/380290150.db2.gz BRYWIOQQXJQOFM-UHFFFAOYSA-N 1 2 286.404 3.187 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccn2)s1)CC(C)(C)C#N ZINC000354034760 380290155 /nfs/dbraw/zinc/29/01/55/380290155.db2.gz BRYWIOQQXJQOFM-UHFFFAOYSA-N 1 2 286.404 3.187 20 30 CGEDLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000356957731 380955805 /nfs/dbraw/zinc/95/58/05/380955805.db2.gz RAFSUWYPNWLFIT-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000356957731 380955812 /nfs/dbraw/zinc/95/58/12/380955812.db2.gz RAFSUWYPNWLFIT-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000358284693 381300460 /nfs/dbraw/zinc/30/04/60/381300460.db2.gz XOYQHCKRYJHRMM-MNOVXSKESA-N 1 2 263.410 3.050 20 30 CGEDLO CCOc1c(C[NH2+][C@@H](CC)CC#N)c(C)nn1CC(C)C ZINC000358301566 381301405 /nfs/dbraw/zinc/30/14/05/381301405.db2.gz QLTUUNCJIUVBTL-AWEZNQCLSA-N 1 2 292.427 3.028 20 30 CGEDLO C=C(CC)C[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000358494553 381311917 /nfs/dbraw/zinc/31/19/17/381311917.db2.gz CWKAISGLSCHUAU-ZDUSSCGKSA-N 1 2 281.400 3.201 20 30 CGEDLO C=C(CC)C[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000358494553 381311922 /nfs/dbraw/zinc/31/19/22/381311922.db2.gz CWKAISGLSCHUAU-ZDUSSCGKSA-N 1 2 281.400 3.201 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C)s1)CC1CCCCC1 ZINC000358516176 381313719 /nfs/dbraw/zinc/31/37/19/381313719.db2.gz YOECJKDKHZXSOS-UHFFFAOYSA-N 1 2 265.426 3.415 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C)s1)CC1CCCCC1 ZINC000358516176 381313727 /nfs/dbraw/zinc/31/37/27/381313727.db2.gz YOECJKDKHZXSOS-UHFFFAOYSA-N 1 2 265.426 3.415 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000362283143 381929708 /nfs/dbraw/zinc/92/97/08/381929708.db2.gz IFTDLNCLLOZLHI-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362283143 381929718 /nfs/dbraw/zinc/92/97/18/381929718.db2.gz IFTDLNCLLOZLHI-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631932 285054556 /nfs/dbraw/zinc/05/45/56/285054556.db2.gz XXBYIOAKLBLPEC-VXGBXAGGSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631932 285054557 /nfs/dbraw/zinc/05/45/57/285054557.db2.gz XXBYIOAKLBLPEC-VXGBXAGGSA-N 1 2 261.325 3.137 20 30 CGEDLO C[C@@H](C#N)CN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352762233 533138468 /nfs/dbraw/zinc/13/84/68/533138468.db2.gz DOQSATKUAIHQMJ-ZDUSSCGKSA-N 1 2 295.342 3.106 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285414130 392322817 /nfs/dbraw/zinc/32/28/17/392322817.db2.gz GAEBASAYNLYZQE-UHFFFAOYSA-N 1 2 294.757 3.293 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)s1 ZINC000289368192 392421360 /nfs/dbraw/zinc/42/13/60/392421360.db2.gz LBSCSBPKLRAVGQ-AWEZNQCLSA-N 1 2 272.377 3.070 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)s1 ZINC000289368192 392421366 /nfs/dbraw/zinc/42/13/66/392421366.db2.gz LBSCSBPKLRAVGQ-AWEZNQCLSA-N 1 2 272.377 3.070 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc(Br)s1 ZINC000290112967 392441009 /nfs/dbraw/zinc/44/10/09/392441009.db2.gz SXEZSOAETVLIJF-UHFFFAOYSA-N 1 2 273.199 3.080 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000290200744 392442621 /nfs/dbraw/zinc/44/26/21/392442621.db2.gz CZVLGSFLQNRDLO-GFCCVEGCSA-N 1 2 286.400 3.122 20 30 CGEDLO C=CCO[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000302119342 392610629 /nfs/dbraw/zinc/61/06/29/392610629.db2.gz CZXIUEUJIJRDBU-OAHLLOKOSA-N 1 2 268.360 3.325 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334196005 392710141 /nfs/dbraw/zinc/71/01/41/392710141.db2.gz KSHYLTONTNBGSZ-ZDUSSCGKSA-N 1 2 259.353 3.271 20 30 CGEDLO CC(C)SCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374906094 392715664 /nfs/dbraw/zinc/71/56/64/392715664.db2.gz BBFBXYIDZVFDBD-INIZCTEOSA-N 1 2 290.432 3.073 20 30 CGEDLO CC(C)SCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374906094 392715675 /nfs/dbraw/zinc/71/56/75/392715675.db2.gz BBFBXYIDZVFDBD-INIZCTEOSA-N 1 2 290.432 3.073 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000334310777 392719212 /nfs/dbraw/zinc/71/92/12/392719212.db2.gz JNQCZLDFXMPJDL-UHFFFAOYSA-N 1 2 267.376 3.466 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000334310777 392719218 /nfs/dbraw/zinc/71/92/18/392719218.db2.gz JNQCZLDFXMPJDL-UHFFFAOYSA-N 1 2 267.376 3.466 20 30 CGEDLO CC(C)(CC#N)CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000413408871 393024281 /nfs/dbraw/zinc/02/42/81/393024281.db2.gz NKAWKWHBKPSMSF-UHFFFAOYSA-N 1 2 279.347 3.463 20 30 CGEDLO C=CC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000347347878 393103268 /nfs/dbraw/zinc/10/32/68/393103268.db2.gz JNJQCCJUCKJLQG-JTQLQIEISA-N 1 2 266.182 3.382 20 30 CGEDLO C=CC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000347347878 393103271 /nfs/dbraw/zinc/10/32/71/393103271.db2.gz JNJQCCJUCKJLQG-JTQLQIEISA-N 1 2 266.182 3.382 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000348287477 393117800 /nfs/dbraw/zinc/11/78/00/393117800.db2.gz UMHYBRZPPHQSIN-TVQRCGJNSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000348287477 393117807 /nfs/dbraw/zinc/11/78/07/393117807.db2.gz UMHYBRZPPHQSIN-TVQRCGJNSA-N 1 2 286.272 3.470 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000274210080 393281642 /nfs/dbraw/zinc/28/16/42/393281642.db2.gz SYZXXLODMKMTEH-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000274210080 393281652 /nfs/dbraw/zinc/28/16/52/393281652.db2.gz SYZXXLODMKMTEH-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420941264 393550328 /nfs/dbraw/zinc/55/03/28/393550328.db2.gz FHBRDLJIEYTYAO-VIFPVBQESA-N 1 2 289.326 3.179 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420941264 393550335 /nfs/dbraw/zinc/55/03/35/393550335.db2.gz FHBRDLJIEYTYAO-VIFPVBQESA-N 1 2 289.326 3.179 20 30 CGEDLO C=CC[N@H+](Cc1cnn2c1CCC2)Cc1ccccc1F ZINC000667544781 542887357 /nfs/dbraw/zinc/88/73/57/542887357.db2.gz OURAAHNRJZQXTG-UHFFFAOYSA-N 1 2 285.366 3.157 20 30 CGEDLO C=CC[N@@H+](Cc1cnn2c1CCC2)Cc1ccccc1F ZINC000667544781 542887360 /nfs/dbraw/zinc/88/73/60/542887360.db2.gz OURAAHNRJZQXTG-UHFFFAOYSA-N 1 2 285.366 3.157 20 30 CGEDLO C=CC[C@H](CC)NC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667957124 542949652 /nfs/dbraw/zinc/94/96/52/542949652.db2.gz ZWVKLDKHTQSWBL-LBPRGKRZSA-N 1 2 272.352 3.119 20 30 CGEDLO C=CC1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668154136 542977295 /nfs/dbraw/zinc/97/72/95/542977295.db2.gz GBRHJZITZVLHDN-UHFFFAOYSA-N 1 2 284.363 3.073 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)CO1 ZINC000649823972 397730229 /nfs/dbraw/zinc/73/02/29/397730229.db2.gz SAZIWYRQEDCVTR-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)CO1 ZINC000649823972 397730231 /nfs/dbraw/zinc/73/02/31/397730231.db2.gz SAZIWYRQEDCVTR-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC000334644971 225236967 /nfs/dbraw/zinc/23/69/67/225236967.db2.gz ACCVGEFGORFXPU-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC000334644971 225236972 /nfs/dbraw/zinc/23/69/72/225236972.db2.gz ACCVGEFGORFXPU-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO Cc1cccc2nc(C3CC[NH+](CCC#N)CC3)oc21 ZINC000336428144 227004209 /nfs/dbraw/zinc/00/42/09/227004209.db2.gz FQYRCRCYCVCGGT-UHFFFAOYSA-N 1 2 269.348 3.229 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1(C)C ZINC000655034332 419016111 /nfs/dbraw/zinc/01/61/11/419016111.db2.gz YCXYXRKDYCFZBS-ZFWWWQNUSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000655034332 419016115 /nfs/dbraw/zinc/01/61/15/419016115.db2.gz YCXYXRKDYCFZBS-ZFWWWQNUSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)ns1 ZINC000659816885 418998077 /nfs/dbraw/zinc/99/80/77/418998077.db2.gz WKTSRVCMRXOKPD-UHFFFAOYSA-N 1 2 280.418 3.401 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)ns1 ZINC000659816885 418998078 /nfs/dbraw/zinc/99/80/78/418998078.db2.gz WKTSRVCMRXOKPD-UHFFFAOYSA-N 1 2 280.418 3.401 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000661469632 419262841 /nfs/dbraw/zinc/26/28/41/419262841.db2.gz OTKHZVPKVLHRBS-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC000661469632 419262843 /nfs/dbraw/zinc/26/28/43/419262843.db2.gz OTKHZVPKVLHRBS-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356078999 228112744 /nfs/dbraw/zinc/11/27/44/228112744.db2.gz AHGRKBWTJUUYLE-SECBINFHSA-N 1 2 293.342 3.486 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356078999 228112745 /nfs/dbraw/zinc/11/27/45/228112745.db2.gz AHGRKBWTJUUYLE-SECBINFHSA-N 1 2 293.342 3.486 20 30 CGEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000356127614 228132031 /nfs/dbraw/zinc/13/20/31/228132031.db2.gz XIGZPSKZXOLQHT-GHMZBOCLSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000356127614 228132034 /nfs/dbraw/zinc/13/20/34/228132034.db2.gz XIGZPSKZXOLQHT-GHMZBOCLSA-N 1 2 298.308 3.186 20 30 CGEDLO Cc1ccc(Cc2noc(-c3ccc(C#N)cc3C)n2)c[nH+]1 ZINC000356136602 228136031 /nfs/dbraw/zinc/13/60/31/228136031.db2.gz OLCSDWGERFURKD-UHFFFAOYSA-N 1 2 290.326 3.211 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000352086677 228181211 /nfs/dbraw/zinc/18/12/11/228181211.db2.gz GVMYGRQOBYFMJA-SNVBAGLBSA-N 1 2 272.270 3.177 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000352086677 228181212 /nfs/dbraw/zinc/18/12/12/228181212.db2.gz GVMYGRQOBYFMJA-SNVBAGLBSA-N 1 2 272.270 3.177 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000336167517 228202720 /nfs/dbraw/zinc/20/27/20/228202720.db2.gz KHIAAQZTBNAWDN-NSHDSACASA-N 1 2 273.311 3.060 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000336167517 228202721 /nfs/dbraw/zinc/20/27/21/228202721.db2.gz KHIAAQZTBNAWDN-NSHDSACASA-N 1 2 273.311 3.060 20 30 CGEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000336239535 228219418 /nfs/dbraw/zinc/21/94/18/228219418.db2.gz XUYGSBLKAAMFHL-DYZYQPBXSA-N 1 2 296.374 3.349 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000297733967 260133207 /nfs/dbraw/zinc/13/32/07/260133207.db2.gz CTHCHWCVJIOQDS-ZDUSSCGKSA-N 1 2 269.348 3.472 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000078645682 260301472 /nfs/dbraw/zinc/30/14/72/260301472.db2.gz XDAYEEXKYCDBCA-UHFFFAOYSA-N 1 2 293.370 3.284 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000078645682 260301474 /nfs/dbraw/zinc/30/14/74/260301474.db2.gz XDAYEEXKYCDBCA-UHFFFAOYSA-N 1 2 293.370 3.284 20 30 CGEDLO C=CCC[C@H](C)[NH2+]c1ccc(NS(=O)(=O)CC)cc1 ZINC000130641731 260398654 /nfs/dbraw/zinc/39/86/54/260398654.db2.gz AKICRTNUKNVLET-LBPRGKRZSA-N 1 2 282.409 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000162425629 261281187 /nfs/dbraw/zinc/28/11/87/261281187.db2.gz MYXQWWBMKGBRFR-JTQLQIEISA-N 1 2 272.270 3.319 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000162425629 261281188 /nfs/dbraw/zinc/28/11/88/261281188.db2.gz MYXQWWBMKGBRFR-JTQLQIEISA-N 1 2 272.270 3.319 20 30 CGEDLO COc1cccc(/C=[NH+]/CCC[C@H]2CCCCO2)c1O ZINC000184307133 262015976 /nfs/dbraw/zinc/01/59/76/262015976.db2.gz STMSEXSKJUSSSY-RFRKOGIWSA-N 1 2 277.364 3.169 20 30 CGEDLO CCCCCCCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364243140 262189645 /nfs/dbraw/zinc/18/96/45/262189645.db2.gz RPZCXSSLXQAETM-MRXNPFEDSA-N 1 2 290.407 3.422 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000411693326 262703499 /nfs/dbraw/zinc/70/34/99/262703499.db2.gz MFMHITYCHMVHMS-WFASDCNBSA-N 1 2 264.319 3.388 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000411693326 262703500 /nfs/dbraw/zinc/70/35/00/262703500.db2.gz MFMHITYCHMVHMS-WFASDCNBSA-N 1 2 264.319 3.388 20 30 CGEDLO CC(C)C[C@H]1C[C@@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271939375 263000421 /nfs/dbraw/zinc/00/04/21/263000421.db2.gz OEHLVLZHAMOADC-JUACWREWSA-N 1 2 277.364 3.110 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000272504194 263005526 /nfs/dbraw/zinc/00/55/26/263005526.db2.gz FAEZGPSQBOMBLE-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO CC[N@@H+](Cc1ccnn1-c1ccccc1C)C[C@H](C)C#N ZINC000353435326 263051889 /nfs/dbraw/zinc/05/18/89/263051889.db2.gz DSROGWFPDJWNBC-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@H+](Cc1ccnn1-c1ccccc1C)C[C@H](C)C#N ZINC000353435326 263051890 /nfs/dbraw/zinc/05/18/90/263051890.db2.gz DSROGWFPDJWNBC-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO N#CC1CCC(CNc2cc[nH+]c3ccncc23)CC1 ZINC000281538890 263069940 /nfs/dbraw/zinc/06/99/40/263069940.db2.gz AZCQYLKEXXYCEF-UHFFFAOYSA-N 1 2 266.348 3.372 20 30 CGEDLO CC(C)C[C@H](C)C[N@H+](CCC#N)Cc1cccnc1 ZINC000281948762 263073064 /nfs/dbraw/zinc/07/30/64/263073064.db2.gz JJSWYTVGDKIZKI-HNNXBMFYSA-N 1 2 259.397 3.479 20 30 CGEDLO CC(C)C[C@H](C)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000281948762 263073065 /nfs/dbraw/zinc/07/30/65/263073065.db2.gz JJSWYTVGDKIZKI-HNNXBMFYSA-N 1 2 259.397 3.479 20 30 CGEDLO CO[C@H](C[N@H+](C)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006242 263080305 /nfs/dbraw/zinc/08/03/05/263080305.db2.gz GAIVUVJXLZICKH-BXUZGUMPSA-N 1 2 266.772 3.261 20 30 CGEDLO CO[C@H](C[N@@H+](C)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006242 263080306 /nfs/dbraw/zinc/08/03/06/263080306.db2.gz GAIVUVJXLZICKH-BXUZGUMPSA-N 1 2 266.772 3.261 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000284935512 263088413 /nfs/dbraw/zinc/08/84/13/263088413.db2.gz YNWOPJZPPSXBED-OAHLLOKOSA-N 1 2 265.360 3.219 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000284935512 263088414 /nfs/dbraw/zinc/08/84/14/263088414.db2.gz YNWOPJZPPSXBED-OAHLLOKOSA-N 1 2 265.360 3.219 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000299372820 263241066 /nfs/dbraw/zinc/24/10/66/263241066.db2.gz SAJHYLQOBVFINI-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000299372820 263241067 /nfs/dbraw/zinc/24/10/67/263241067.db2.gz SAJHYLQOBVFINI-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000341986853 263381244 /nfs/dbraw/zinc/38/12/44/263381244.db2.gz WBZOCECFTQWGPW-OAHLLOKOSA-N 1 2 272.392 3.282 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@H](C)c2c(C)cccc2C)c[nH+]1 ZINC000330879060 264061349 /nfs/dbraw/zinc/06/13/49/264061349.db2.gz XSVLKTDTXQERBQ-LLVKDONJSA-N 1 2 257.337 3.401 20 30 CGEDLO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000331314065 264186968 /nfs/dbraw/zinc/18/69/68/264186968.db2.gz CNUKAQDYXJSSAZ-OCCSQVGLSA-N 1 2 273.380 3.041 20 30 CGEDLO CCC(CC)n1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000331357459 264208488 /nfs/dbraw/zinc/20/84/88/264208488.db2.gz TYQNIUXNADZLNS-WFASDCNBSA-N 1 2 260.385 3.026 20 30 CGEDLO C=CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189491869 264302630 /nfs/dbraw/zinc/30/26/30/264302630.db2.gz BJLUNKWKEBDJMZ-SMDDNHRTSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189491869 264302631 /nfs/dbraw/zinc/30/26/31/264302631.db2.gz BJLUNKWKEBDJMZ-SMDDNHRTSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428083089 264369108 /nfs/dbraw/zinc/36/91/08/264369108.db2.gz BMRBWVFNYJNUBH-ZENOOKHLSA-N 1 2 291.391 3.100 20 30 CGEDLO C#CCCCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000180035704 264389952 /nfs/dbraw/zinc/38/99/52/264389952.db2.gz ZGLIGVPRRPYFMD-UHFFFAOYSA-N 1 2 267.332 3.209 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H](CC)C(=O)OCC ZINC000191672595 270075741 /nfs/dbraw/zinc/07/57/41/270075741.db2.gz RLQSCOPEIPBFHM-AWEZNQCLSA-N 1 2 294.420 3.173 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](CC)C(=O)OCC ZINC000191672595 270075742 /nfs/dbraw/zinc/07/57/42/270075742.db2.gz RLQSCOPEIPBFHM-AWEZNQCLSA-N 1 2 294.420 3.173 20 30 CGEDLO CC(C)[C@H](Nc1nc(Cl)c(C#N)s1)c1[nH]cc[nH+]1 ZINC000291201353 265903732 /nfs/dbraw/zinc/90/37/32/265903732.db2.gz ULYTVOTZRMDOFC-QMMMGPOBSA-N 1 2 281.772 3.200 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000356451445 266117100 /nfs/dbraw/zinc/11/71/00/266117100.db2.gz GUYAQVQZLSMACV-AWEZNQCLSA-N 1 2 299.418 3.202 20 30 CGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC#N)c1 ZINC000357359385 266282667 /nfs/dbraw/zinc/28/26/67/266282667.db2.gz ZQYFRRAQYUVCJO-UHFFFAOYSA-N 1 2 282.347 3.202 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000194980386 267005782 /nfs/dbraw/zinc/00/57/82/267005782.db2.gz JOYSCWSZIDDTMQ-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000194980386 267005786 /nfs/dbraw/zinc/00/57/86/267005786.db2.gz JOYSCWSZIDDTMQ-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO COc1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC000123458377 268054555 /nfs/dbraw/zinc/05/45/55/268054555.db2.gz WYOAAIHRQGAYCG-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO COc1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC000123458377 268054557 /nfs/dbraw/zinc/05/45/57/268054557.db2.gz WYOAAIHRQGAYCG-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329323078 278272033 /nfs/dbraw/zinc/27/20/33/278272033.db2.gz UXQTUOYMXHHQNC-WDEREUQCSA-N 1 2 261.369 3.050 20 30 CGEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329323078 278272036 /nfs/dbraw/zinc/27/20/36/278272036.db2.gz UXQTUOYMXHHQNC-WDEREUQCSA-N 1 2 261.369 3.050 20 30 CGEDLO N#CC[N@@H+](CCc1ccc(F)c(F)c1)C1CCCC1 ZINC000152103706 328068700 /nfs/dbraw/zinc/06/87/00/328068700.db2.gz SSRTZXMJUHYVOO-UHFFFAOYSA-N 1 2 264.319 3.275 20 30 CGEDLO N#CC[N@H+](CCc1ccc(F)c(F)c1)C1CCCC1 ZINC000152103706 328068702 /nfs/dbraw/zinc/06/87/02/328068702.db2.gz SSRTZXMJUHYVOO-UHFFFAOYSA-N 1 2 264.319 3.275 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ncccc1C ZINC000093168562 328220391 /nfs/dbraw/zinc/22/03/91/328220391.db2.gz NPNMKGRQKGDMJD-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ncccc1C ZINC000093168562 328220393 /nfs/dbraw/zinc/22/03/93/328220393.db2.gz NPNMKGRQKGDMJD-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C=C(C)C(C)(C)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000569350302 327155334 /nfs/dbraw/zinc/15/53/34/327155334.db2.gz KGWJWGVYARWLSZ-UHFFFAOYSA-N 1 2 296.374 3.470 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(-c2ccsc2)oc1C ZINC000578761967 327350141 /nfs/dbraw/zinc/35/01/41/327350141.db2.gz VPRCGQDGGWYZES-LBPRGKRZSA-N 1 2 275.377 3.493 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000566429286 327361823 /nfs/dbraw/zinc/36/18/23/327361823.db2.gz SDCRLCLIMVBJGR-SNVBAGLBSA-N 1 2 291.301 3.402 20 30 CGEDLO C=C1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000508841846 332851225 /nfs/dbraw/zinc/85/12/25/332851225.db2.gz LXEBCKSRADPRPY-UHFFFAOYSA-N 1 2 296.208 3.480 20 30 CGEDLO C[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)n1cc[nH+]c1 ZINC000583875693 329524252 /nfs/dbraw/zinc/52/42/52/329524252.db2.gz QLOZNHPYSCJSGA-CYBMUJFWSA-N 1 2 296.374 3.274 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000279236912 330122435 /nfs/dbraw/zinc/12/24/35/330122435.db2.gz JQVRPXUJJZWTET-UHFFFAOYSA-N 1 2 262.300 3.006 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000279236912 330122437 /nfs/dbraw/zinc/12/24/37/330122437.db2.gz JQVRPXUJJZWTET-UHFFFAOYSA-N 1 2 262.300 3.006 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc3ccc(C)cc3o2)nn1 ZINC000424298010 330336525 /nfs/dbraw/zinc/33/65/25/330336525.db2.gz RSGASYRURGQSKG-CYBMUJFWSA-N 1 2 296.374 3.370 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000428407726 330522488 /nfs/dbraw/zinc/52/24/88/330522488.db2.gz REMPGFJIYULUEE-HOCLYGCPSA-N 1 2 275.392 3.462 20 30 CGEDLO C=CCc1cc(C)cc(OC)c1OCc1c[nH+]cn1C ZINC000438297557 330721085 /nfs/dbraw/zinc/72/10/85/330721085.db2.gz IDIDKAUZMSQFKZ-UHFFFAOYSA-N 1 2 272.348 3.045 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449573632 330938077 /nfs/dbraw/zinc/93/80/77/330938077.db2.gz RKKMSTXAZJZYRM-DZGCQCFKSA-N 1 2 283.375 3.244 20 30 CGEDLO C=C(C)CCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000458995560 331265277 /nfs/dbraw/zinc/26/52/77/331265277.db2.gz HJFJLULDSURVTH-CQSZACIVSA-N 1 2 290.411 3.106 20 30 CGEDLO C=CCCC[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000459622787 331290888 /nfs/dbraw/zinc/29/08/88/331290888.db2.gz VRJNJTFRSRHDCH-HNNXBMFYSA-N 1 2 261.365 3.073 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000489439737 332052655 /nfs/dbraw/zinc/05/26/55/332052655.db2.gz RQVXLZBJXKJCMA-OAHLLOKOSA-N 1 2 282.391 3.023 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)n1C ZINC000489439737 332052656 /nfs/dbraw/zinc/05/26/56/332052656.db2.gz RQVXLZBJXKJCMA-OAHLLOKOSA-N 1 2 282.391 3.023 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000489471441 332054681 /nfs/dbraw/zinc/05/46/81/332054681.db2.gz FXNFEEKKWRILCX-CQSZACIVSA-N 1 2 269.348 3.277 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000489471441 332054682 /nfs/dbraw/zinc/05/46/82/332054682.db2.gz FXNFEEKKWRILCX-CQSZACIVSA-N 1 2 269.348 3.277 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000489496550 332056785 /nfs/dbraw/zinc/05/67/85/332056785.db2.gz MSUPNXDWMUGHHU-LBPRGKRZSA-N 1 2 275.377 3.339 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000489496550 332056786 /nfs/dbraw/zinc/05/67/86/332056786.db2.gz MSUPNXDWMUGHHU-LBPRGKRZSA-N 1 2 275.377 3.339 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(COC)s1)C1CCCCC1 ZINC000490914953 332128566 /nfs/dbraw/zinc/12/85/66/332128566.db2.gz KDXHQFYOJJGYQU-UHFFFAOYSA-N 1 2 278.421 3.057 20 30 CGEDLO C#CC[N@H+](Cc1ncc(COC)s1)C1CCCCC1 ZINC000490914953 332128567 /nfs/dbraw/zinc/12/85/67/332128567.db2.gz KDXHQFYOJJGYQU-UHFFFAOYSA-N 1 2 278.421 3.057 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(CC(C)C)c1)c1ccc(F)cc1 ZINC000491276959 332179299 /nfs/dbraw/zinc/17/92/99/332179299.db2.gz LSTAPCOGOPZIHU-QGZVFWFLSA-N 1 2 285.366 3.142 20 30 CGEDLO C#C[C@@H](NCc1cc(OC)cc(C)[nH+]1)c1ccc(F)cc1 ZINC000491463447 332216473 /nfs/dbraw/zinc/21/64/73/332216473.db2.gz NBDMJLFWAWCJMM-QGZVFWFLSA-N 1 2 284.334 3.002 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(OC)cc(C)n1)c1ccc(F)cc1 ZINC000491463447 332216475 /nfs/dbraw/zinc/21/64/75/332216475.db2.gz NBDMJLFWAWCJMM-QGZVFWFLSA-N 1 2 284.334 3.002 20 30 CGEDLO C#CC[N@@H+](Cc1oc(CC)nc1C)Cc1ccc(F)cc1 ZINC000491506441 332225252 /nfs/dbraw/zinc/22/52/52/332225252.db2.gz PZEYCINPGMRDFT-UHFFFAOYSA-N 1 2 286.350 3.320 20 30 CGEDLO C#CC[N@H+](Cc1oc(CC)nc1C)Cc1ccc(F)cc1 ZINC000491506441 332225253 /nfs/dbraw/zinc/22/52/53/332225253.db2.gz PZEYCINPGMRDFT-UHFFFAOYSA-N 1 2 286.350 3.320 20 30 CGEDLO C#C[C@H](CC)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491738957 332318375 /nfs/dbraw/zinc/31/83/75/332318375.db2.gz XAMBZFMFGRBUFU-OAHLLOKOSA-N 1 2 294.354 3.324 20 30 CGEDLO C=CCN(C(=O)/C=C\c1[nH+]ccn1CC)c1ccccc1 ZINC000492270003 332389930 /nfs/dbraw/zinc/38/99/30/332389930.db2.gz DEPNPMPEZVIHTK-KHPPLWFESA-N 1 2 281.359 3.135 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492768658 332412687 /nfs/dbraw/zinc/41/26/87/332412687.db2.gz OXWKYDGFPMHFLP-SREVYHEPSA-N 1 2 283.331 3.017 20 30 CGEDLO C=CC[C@@H]1N(C(=O)/C=C/c2[nH]cc[nH+]2)CCCC1(C)C ZINC000493425511 332439877 /nfs/dbraw/zinc/43/98/77/332439877.db2.gz DDVSCNBHNVNONS-GWJCSSMESA-N 1 2 273.380 3.016 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ncc(Br)cc1F ZINC000529516576 333492394 /nfs/dbraw/zinc/49/23/94/333492394.db2.gz KSAOXOOLBRWQRR-UHFFFAOYSA-N 1 2 285.160 3.157 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000546630376 334042058 /nfs/dbraw/zinc/04/20/58/334042058.db2.gz VEXSKVUDWOZECB-ZBFHGGJFSA-N 1 2 297.402 3.228 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc3cc[nH]c32)c1 ZINC000546634928 334042415 /nfs/dbraw/zinc/04/24/15/334042415.db2.gz PEMUJSRPBZWXOP-UHFFFAOYSA-N 1 2 262.316 3.241 20 30 CGEDLO C=CC[C@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000548614779 334163830 /nfs/dbraw/zinc/16/38/30/334163830.db2.gz CXDCEABSXVOOMY-INIZCTEOSA-N 1 2 280.371 3.419 20 30 CGEDLO N#CCCCOc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000345358211 335317874 /nfs/dbraw/zinc/31/78/74/335317874.db2.gz WHDRHCBHSLASQP-OAHLLOKOSA-N 1 2 282.347 3.123 20 30 CGEDLO N#Cc1ccccc1SCc1c[nH+]c2ccccn12 ZINC000179890681 335529859 /nfs/dbraw/zinc/52/98/59/335529859.db2.gz WCLMJBMHGOKUHA-UHFFFAOYSA-N 1 2 265.341 3.498 20 30 CGEDLO Cc1cccc(CCCNc2c(C#N)cccc2[N+](=O)[O-])[nH+]1 ZINC000425258441 534690083 /nfs/dbraw/zinc/69/00/83/534690083.db2.gz WGKRJHWGEIPNCW-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1ccccc1C#N ZINC000156225614 523565318 /nfs/dbraw/zinc/56/53/18/523565318.db2.gz NOFNDPWLXMTOMP-UHFFFAOYSA-N 1 2 277.327 3.331 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccccc1C#N ZINC000156225614 523565327 /nfs/dbraw/zinc/56/53/27/523565327.db2.gz NOFNDPWLXMTOMP-UHFFFAOYSA-N 1 2 277.327 3.331 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c(Cl)c1 ZINC000411857505 534782468 /nfs/dbraw/zinc/78/24/68/534782468.db2.gz WPUJHVXDXQKTBH-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c(Cl)c1 ZINC000411857505 534782473 /nfs/dbraw/zinc/78/24/73/534782473.db2.gz WPUJHVXDXQKTBH-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1C#N ZINC000352805504 526560254 /nfs/dbraw/zinc/56/02/54/526560254.db2.gz SHDSHQABQMMQMN-UHFFFAOYSA-N 1 2 296.370 3.222 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1C#N ZINC000352805504 526560259 /nfs/dbraw/zinc/56/02/59/526560259.db2.gz SHDSHQABQMMQMN-UHFFFAOYSA-N 1 2 296.370 3.222 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000356059767 528882830 /nfs/dbraw/zinc/88/28/30/528882830.db2.gz RDDBFKLMZMKTOS-GFCCVEGCSA-N 1 2 296.399 3.470 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000356059767 528882835 /nfs/dbraw/zinc/88/28/35/528882835.db2.gz RDDBFKLMZMKTOS-GFCCVEGCSA-N 1 2 296.399 3.470 20 30 CGEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356094342 529308817 /nfs/dbraw/zinc/30/88/17/529308817.db2.gz WPWCHOMFCPPOGW-ZDUSSCGKSA-N 1 2 298.308 3.188 20 30 CGEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356094342 529308818 /nfs/dbraw/zinc/30/88/18/529308818.db2.gz WPWCHOMFCPPOGW-ZDUSSCGKSA-N 1 2 298.308 3.188 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)c(F)c1)c1csc(N)n1 ZINC000747635129 572938152 /nfs/dbraw/zinc/93/81/52/572938152.db2.gz GWAXNELUKQAVBD-UHFFFAOYSA-N 1 2 284.747 3.354 20 30 CGEDLO CC[C@H](Cc1ccccc1)/[NH+]=C\c1ccc(O)c(O)c1O ZINC000727781088 571768915 /nfs/dbraw/zinc/76/89/15/571768915.db2.gz DGAAKURYKLEVLP-JVVDOCDTSA-N 1 2 285.343 3.244 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCCc2cccc(F)c2)c1O ZINC000731563240 572416622 /nfs/dbraw/zinc/41/66/22/572416622.db2.gz NHEMAXNZKRVCOM-WOJGMQOQSA-N 1 2 273.307 3.289 20 30 CGEDLO COc1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000725854646 572446616 /nfs/dbraw/zinc/44/66/16/572446616.db2.gz BHZREPKAEHPSBO-UHFFFAOYSA-N 1 2 292.342 3.327 20 30 CGEDLO O=C1c2cccc(F)c2C/C1=C/c1c[nH+]c2ccccn12 ZINC000740764770 572455349 /nfs/dbraw/zinc/45/53/49/572455349.db2.gz FDNLTYNQSMUDIY-FLIBITNWSA-N 1 2 278.286 3.296 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc2c(c1)COC2 ZINC000742436669 572583779 /nfs/dbraw/zinc/58/37/79/572583779.db2.gz MSPUIOLHCMWHEL-VOTSOKGWSA-N 1 2 290.322 3.261 20 30 CGEDLO Cc1cc(N(C)C)ccc1C/[NH+]=C/c1ccccc1O ZINC000734366349 572649783 /nfs/dbraw/zinc/64/97/83/572649783.db2.gz OFZXLXZVXXTOAU-LDADJPATSA-N 1 2 268.360 3.386 20 30 CGEDLO C=CC[N@H+](Cc1nc(CCc2ccccc2)no1)C(C)C ZINC000743840931 572687374 /nfs/dbraw/zinc/68/73/74/572687374.db2.gz ALFYUTJJTVWCFJ-UHFFFAOYSA-N 1 2 285.391 3.251 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CCc2ccccc2)no1)C(C)C ZINC000743840931 572687377 /nfs/dbraw/zinc/68/73/77/572687377.db2.gz ALFYUTJJTVWCFJ-UHFFFAOYSA-N 1 2 285.391 3.251 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000746463057 572872905 /nfs/dbraw/zinc/87/29/05/572872905.db2.gz MQLURYKHIDHWSF-UHFFFAOYSA-N 1 2 296.370 3.017 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000746463057 572872910 /nfs/dbraw/zinc/87/29/10/572872910.db2.gz MQLURYKHIDHWSF-UHFFFAOYSA-N 1 2 296.370 3.017 20 30 CGEDLO CCC(CC)[C@@H](CC/[NH+]=C\c1ccc(O)c(O)c1O)OC ZINC000746522536 572876136 /nfs/dbraw/zinc/87/61/36/572876136.db2.gz NLRYUNDAXNCAJB-AYCSXLNKSA-N 1 2 295.379 3.064 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2ccncc2)c1O ZINC000749846647 573047079 /nfs/dbraw/zinc/04/70/79/573047079.db2.gz ZDINCNUFPSAHKZ-HWQJWEFDSA-N 1 2 270.332 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)c(C)s2)C1 ZINC000957364562 613296074 /nfs/dbraw/zinc/29/60/74/613296074.db2.gz GMCKKYVOWVHVBH-UHFFFAOYSA-N 1 2 292.448 3.087 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000981845285 613373834 /nfs/dbraw/zinc/37/38/34/613373834.db2.gz OIHOCQXTLRFULD-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000981845285 613373835 /nfs/dbraw/zinc/37/38/35/613373835.db2.gz OIHOCQXTLRFULD-ZFWWWQNUSA-N 1 2 298.858 3.100 20 30 CGEDLO C#Cc1ccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC000891313680 618103159 /nfs/dbraw/zinc/10/31/59/618103159.db2.gz UVXGZHZXEUOMDR-MRXNPFEDSA-N 1 2 281.359 3.090 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900310520 620778832 /nfs/dbraw/zinc/77/88/32/620778832.db2.gz HJAYKFQJNGCWIJ-ZDUSSCGKSA-N 1 2 265.401 3.065 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1csc(C#N)c1 ZINC000891922480 618384889 /nfs/dbraw/zinc/38/48/89/618384889.db2.gz CXQRJAIJTXHEQG-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1csc(C#N)c1 ZINC000891922480 618384899 /nfs/dbraw/zinc/38/48/99/618384899.db2.gz CXQRJAIJTXHEQG-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)cs1 ZINC000892106217 618533723 /nfs/dbraw/zinc/53/37/23/618533723.db2.gz UDYPABVWGREECJ-UHFFFAOYSA-N 1 2 272.295 3.314 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cs1 ZINC000892106217 618533734 /nfs/dbraw/zinc/53/37/34/618533734.db2.gz UDYPABVWGREECJ-UHFFFAOYSA-N 1 2 272.295 3.314 20 30 CGEDLO CC[C@@H]([NH2+]CCCOCC1CC1)c1cccc(C#N)c1O ZINC000924582164 618887369 /nfs/dbraw/zinc/88/73/69/618887369.db2.gz ILQPHTBYYLROQQ-MRXNPFEDSA-N 1 2 288.391 3.121 20 30 CGEDLO Cc1cc(C#N)ccc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000892832819 618942100 /nfs/dbraw/zinc/94/21/00/618942100.db2.gz ZZFWDXJMMHHHHG-UHFFFAOYSA-N 1 2 293.361 3.032 20 30 CGEDLO Cc1cc(C#N)ccc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000892832819 618942101 /nfs/dbraw/zinc/94/21/01/618942101.db2.gz ZZFWDXJMMHHHHG-UHFFFAOYSA-N 1 2 293.361 3.032 20 30 CGEDLO CSc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1C#N ZINC000926869648 618958640 /nfs/dbraw/zinc/95/86/40/618958640.db2.gz WJDHVNCOUWBTAJ-JTQLQIEISA-N 1 2 273.361 3.119 20 30 CGEDLO C=C1CCC(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000893177836 619018964 /nfs/dbraw/zinc/01/89/64/619018964.db2.gz ZIALVUMYFCNPIY-QGZVFWFLSA-N 1 2 284.403 3.036 20 30 CGEDLO C=C1CCC(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000893177836 619018966 /nfs/dbraw/zinc/01/89/66/619018966.db2.gz ZIALVUMYFCNPIY-QGZVFWFLSA-N 1 2 284.403 3.036 20 30 CGEDLO C=C(Cl)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185481969 619061393 /nfs/dbraw/zinc/06/13/93/619061393.db2.gz KFRNNOFWQXLHSW-GFCCVEGCSA-N 1 2 270.829 3.179 20 30 CGEDLO C=C(Br)C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190959914 619104760 /nfs/dbraw/zinc/10/47/60/619104760.db2.gz FVWGMINFWBCYMP-UHFFFAOYSA-N 1 2 288.229 3.319 20 30 CGEDLO C=C(Br)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190959914 619104762 /nfs/dbraw/zinc/10/47/62/619104762.db2.gz FVWGMINFWBCYMP-UHFFFAOYSA-N 1 2 288.229 3.319 20 30 CGEDLO CCCCCCCS(=O)(=O)N(CC)c1cc[nH+]cc1 ZINC000195343716 619149119 /nfs/dbraw/zinc/14/91/19/619149119.db2.gz NYLSNLCJJCAROZ-UHFFFAOYSA-N 1 2 284.425 3.208 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894470336 619546956 /nfs/dbraw/zinc/54/69/56/619546956.db2.gz UXQQXQDAXGPTHW-NSHDSACASA-N 1 2 294.420 3.485 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(F)cc1 ZINC000894574570 619580049 /nfs/dbraw/zinc/58/00/49/619580049.db2.gz IDEASZRLXBGICF-KRWDZBQOSA-N 1 2 283.350 3.211 20 30 CGEDLO C=C(Cl)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185481952 625361515 /nfs/dbraw/zinc/36/15/15/625361515.db2.gz KFRNNOFWQXLHSW-LBPRGKRZSA-N 1 2 270.829 3.179 20 30 CGEDLO C[C@@H](NN=C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000793113453 619678730 /nfs/dbraw/zinc/67/87/30/619678730.db2.gz AIUYOEPSFPOVCD-CYBMUJFWSA-N 1 2 274.412 3.062 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1C1CC1 ZINC000895018629 619696739 /nfs/dbraw/zinc/69/67/39/619696739.db2.gz PMUSHFFZNZNUIC-ZDUSSCGKSA-N 1 2 280.375 3.283 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1C1CC1 ZINC000895018629 619696740 /nfs/dbraw/zinc/69/67/40/619696740.db2.gz PMUSHFFZNZNUIC-ZDUSSCGKSA-N 1 2 280.375 3.283 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000049389439 619748526 /nfs/dbraw/zinc/74/85/26/619748526.db2.gz ZDLJCRFYUIJRCS-UHFFFAOYSA-N 1 2 276.380 3.131 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000049389439 619748529 /nfs/dbraw/zinc/74/85/29/619748529.db2.gz ZDLJCRFYUIJRCS-UHFFFAOYSA-N 1 2 276.380 3.131 20 30 CGEDLO CCn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000895336023 619807323 /nfs/dbraw/zinc/80/73/23/619807323.db2.gz RGDJTVOVFJCMIK-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO CCn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000895336023 619807325 /nfs/dbraw/zinc/80/73/25/619807325.db2.gz RGDJTVOVFJCMIK-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO CC(C)Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000895450523 619831609 /nfs/dbraw/zinc/83/16/09/619831609.db2.gz JOCRTESYHCAZCX-INIZCTEOSA-N 1 2 257.381 3.016 20 30 CGEDLO CC(C)Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000895450523 619831610 /nfs/dbraw/zinc/83/16/10/619831610.db2.gz JOCRTESYHCAZCX-INIZCTEOSA-N 1 2 257.381 3.016 20 30 CGEDLO CCSCc1ccc[nH+]c1N[C@H]1CC[C@@H](C#N)C1 ZINC000895688001 619870301 /nfs/dbraw/zinc/87/03/01/619870301.db2.gz HNBVXEXPPLBFTM-YPMHNXCESA-N 1 2 261.394 3.439 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000896503653 620018428 /nfs/dbraw/zinc/01/84/28/620018428.db2.gz OMTFXLBCTVYXEY-OAHLLOKOSA-N 1 2 294.358 3.004 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000896503653 620018431 /nfs/dbraw/zinc/01/84/31/620018431.db2.gz OMTFXLBCTVYXEY-OAHLLOKOSA-N 1 2 294.358 3.004 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1c(C)noc1CC ZINC000896663606 620043753 /nfs/dbraw/zinc/04/37/53/620043753.db2.gz BKEHYPSXOGKJQA-UHFFFAOYSA-N 1 2 299.374 3.345 20 30 CGEDLO CCCCCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896926815 620104902 /nfs/dbraw/zinc/10/49/02/620104902.db2.gz HZZLUQVKDUJGSQ-UHFFFAOYSA-N 1 2 265.401 3.393 20 30 CGEDLO CC[C@@H]([NH2+]CCNc1ccccc1)c1cccc(C#N)c1O ZINC000925233641 620255880 /nfs/dbraw/zinc/25/58/80/620255880.db2.gz ZIRLKYOWMSTJAH-QGZVFWFLSA-N 1 2 295.386 3.417 20 30 CGEDLO C[N@@H+](Cc1cnn(C2CCC2)c1)Cc1cc(C#N)cs1 ZINC000897624718 620412623 /nfs/dbraw/zinc/41/26/23/620412623.db2.gz VZYZKGFBHUAKJO-UHFFFAOYSA-N 1 2 286.404 3.173 20 30 CGEDLO C[N@H+](Cc1cnn(C2CCC2)c1)Cc1cc(C#N)cs1 ZINC000897624718 620412627 /nfs/dbraw/zinc/41/26/27/620412627.db2.gz VZYZKGFBHUAKJO-UHFFFAOYSA-N 1 2 286.404 3.173 20 30 CGEDLO CCc1cccc(F)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000897628988 620413645 /nfs/dbraw/zinc/41/36/45/620413645.db2.gz DZOIESVKYNOBHO-UHFFFAOYSA-N 1 2 275.352 3.006 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2ccccc2C1=O ZINC000901418213 620881312 /nfs/dbraw/zinc/88/13/12/620881312.db2.gz ZKFDADLCOHMDEJ-MDWZMJQESA-N 1 2 252.317 3.286 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)sc1C ZINC000901430886 620886184 /nfs/dbraw/zinc/88/61/84/620886184.db2.gz NCXHRNZXSZXSKA-AATRIKPKSA-N 1 2 260.362 3.477 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2ccc(OC)cc2C1=O ZINC000901479050 620891612 /nfs/dbraw/zinc/89/16/12/620891612.db2.gz ZRFMAOOHFNNVAC-JYRVWZFOSA-N 1 2 282.343 3.124 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2c(O)cccc2C1=O ZINC000901476731 620891957 /nfs/dbraw/zinc/89/19/57/620891957.db2.gz HHTGPRKNBGXQMG-WQLSENKSSA-N 1 2 282.343 3.382 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c(O)c1 ZINC000901483965 620908965 /nfs/dbraw/zinc/90/89/65/620908965.db2.gz YNCGAFPMMPXDEU-ALCCZGGFSA-N 1 2 270.332 3.374 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc3c(c2)CCCO3)c1 ZINC000902067116 621135020 /nfs/dbraw/zinc/13/50/20/621135020.db2.gz KKPYHJPIDHXFFJ-UHFFFAOYSA-N 1 2 279.343 3.085 20 30 CGEDLO C[C@H]1Cc2cc(CNc3cc(CC#N)cc[nH+]3)ccc2O1 ZINC000902067885 621135959 /nfs/dbraw/zinc/13/59/59/621135959.db2.gz PNXSPQPAAJEARV-LBPRGKRZSA-N 1 2 279.343 3.083 20 30 CGEDLO CCc1nnc(C[NH2+][C@H](CC)c2cccc(C#N)c2)s1 ZINC000902996952 621521672 /nfs/dbraw/zinc/52/16/72/621521672.db2.gz QUEXJBCOMMTOQA-CYBMUJFWSA-N 1 2 286.404 3.213 20 30 CGEDLO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903101570 621574603 /nfs/dbraw/zinc/57/46/03/621574603.db2.gz JAVZRVDWBXMMIE-SNVBAGLBSA-N 1 2 264.756 3.303 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccncc1Cl ZINC000903109490 621582896 /nfs/dbraw/zinc/58/28/96/621582896.db2.gz PXAJYIUQTXCIJZ-NSHDSACASA-N 1 2 263.772 3.470 20 30 CGEDLO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903262614 621647914 /nfs/dbraw/zinc/64/79/14/621647914.db2.gz FNBFNWPWAKNJGZ-AWEZNQCLSA-N 1 2 299.399 3.327 20 30 CGEDLO CO[C@H](C#N)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904849868 622007288 /nfs/dbraw/zinc/00/72/88/622007288.db2.gz PVVKYQDQHDXPQC-OAHLLOKOSA-N 1 2 267.332 3.026 20 30 CGEDLO CC(=NN[C@@H](C)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000905476419 622076851 /nfs/dbraw/zinc/07/68/51/622076851.db2.gz HIYVUKIBAWUNJL-NSHDSACASA-N 1 2 296.296 3.137 20 30 CGEDLO C#CC[N@@H+](Cn1cc[nH]c1=S)[C@@H]1CCc2ccccc21 ZINC000173308604 623319081 /nfs/dbraw/zinc/31/90/81/623319081.db2.gz OVPGJQCMSJZBFV-OAHLLOKOSA-N 1 2 283.400 3.126 20 30 CGEDLO C#CC[N@H+](Cn1cc[nH]c1=S)[C@@H]1CCc2ccccc21 ZINC000173308604 623319086 /nfs/dbraw/zinc/31/90/86/623319086.db2.gz OVPGJQCMSJZBFV-OAHLLOKOSA-N 1 2 283.400 3.126 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753586800 623437583 /nfs/dbraw/zinc/43/75/83/623437583.db2.gz JRIAJPOMDUXKAC-WMLDXEAASA-N 1 2 283.375 3.103 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753586800 623437590 /nfs/dbraw/zinc/43/75/90/623437590.db2.gz JRIAJPOMDUXKAC-WMLDXEAASA-N 1 2 283.375 3.103 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990133 623773985 /nfs/dbraw/zinc/77/39/85/623773985.db2.gz XYRVQJLYSMJUKO-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990133 623773998 /nfs/dbraw/zinc/77/39/98/623773998.db2.gz XYRVQJLYSMJUKO-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCc2cccc(OC)c2)c(O)c1 ZINC000915979150 624087327 /nfs/dbraw/zinc/08/73/27/624087327.db2.gz MEOSJKHYPOZOIM-CPNJWEJPSA-N 1 2 299.370 3.461 20 30 CGEDLO CCc1ccc([C@H](COC)[NH2+]Cc2csc(C#N)c2)o1 ZINC000921778416 625872418 /nfs/dbraw/zinc/87/24/18/625872418.db2.gz JMAQZZPDPKVAFH-AWEZNQCLSA-N 1 2 290.388 3.252 20 30 CGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2csc(C#N)c2)cs1 ZINC000921824982 625891422 /nfs/dbraw/zinc/89/14/22/625891422.db2.gz QOQZGEJKQXVXRW-SECBINFHSA-N 1 2 293.417 3.073 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1O ZINC000753587779 626457454 /nfs/dbraw/zinc/45/74/54/626457454.db2.gz QYNOEUQLVFOUGP-OAHLLOKOSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C#N)C2)c1O ZINC000753587779 626457456 /nfs/dbraw/zinc/45/74/56/626457456.db2.gz QYNOEUQLVFOUGP-OAHLLOKOSA-N 1 2 278.783 3.480 20 30 CGEDLO N#CCOc1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000761722545 627058366 /nfs/dbraw/zinc/05/83/66/627058366.db2.gz YGKOTZBCPLRBCP-UHFFFAOYSA-N 1 2 294.345 3.456 20 30 CGEDLO N#CCOc1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000761722545 627058369 /nfs/dbraw/zinc/05/83/69/627058369.db2.gz YGKOTZBCPLRBCP-UHFFFAOYSA-N 1 2 294.345 3.456 20 30 CGEDLO COc1cc(F)ccc1N[NH+]=C(C)c1ccc(N)cc1 ZINC000761883975 627071729 /nfs/dbraw/zinc/07/17/29/627071729.db2.gz BCXZKQQQWMDJFL-UHFFFAOYSA-N 1 2 273.311 3.253 20 30 CGEDLO NC(=[NH+]OCC1CC1)c1ccc(OCc2ccccc2)cc1 ZINC000763179652 627144208 /nfs/dbraw/zinc/14/42/08/627144208.db2.gz JUSQVBWTBXCUIP-UHFFFAOYSA-N 1 2 296.370 3.313 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000763956385 627187640 /nfs/dbraw/zinc/18/76/40/627187640.db2.gz MXRBRZMPYZFWBQ-UHFFFAOYSA-N 1 2 284.403 3.020 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000763956385 627187642 /nfs/dbraw/zinc/18/76/42/627187642.db2.gz MXRBRZMPYZFWBQ-UHFFFAOYSA-N 1 2 284.403 3.020 20 30 CGEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C/c1[nH]cc[nH+]1 ZINC000766504730 627338637 /nfs/dbraw/zinc/33/86/37/627338637.db2.gz CAGASRIHNPITEJ-GLNPCMGASA-N 1 2 252.317 3.429 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc2cccc(OC)c2o1 ZINC000768242936 627471060 /nfs/dbraw/zinc/47/10/60/627471060.db2.gz DWRAZFKPEXUEOO-UHFFFAOYSA-N 1 2 258.321 3.177 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc2cccc(OC)c2o1 ZINC000768242936 627471063 /nfs/dbraw/zinc/47/10/63/627471063.db2.gz DWRAZFKPEXUEOO-UHFFFAOYSA-N 1 2 258.321 3.177 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)ccc1O ZINC000769608534 627569148 /nfs/dbraw/zinc/56/91/48/627569148.db2.gz CTIRDEATVAWDIU-VURMDHGXSA-N 1 2 278.311 3.244 20 30 CGEDLO C=C(CC)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000773521347 627894207 /nfs/dbraw/zinc/89/42/07/627894207.db2.gz GJCSTECQALJJGV-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(CC)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000773521347 627894211 /nfs/dbraw/zinc/89/42/11/627894211.db2.gz GJCSTECQALJJGV-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000774273245 627971322 /nfs/dbraw/zinc/97/13/22/627971322.db2.gz QRXOZFFZQGZHLE-ZBFHGGJFSA-N 1 2 285.391 3.017 20 30 CGEDLO O=[N+]([O-])c1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000782226317 628627113 /nfs/dbraw/zinc/62/71/13/628627113.db2.gz YNBJZQFSXMRKQL-UHFFFAOYSA-N 1 2 298.327 3.072 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccco1 ZINC000783709085 628742262 /nfs/dbraw/zinc/74/22/62/628742262.db2.gz JTNTXIVQQGZGTP-ONEGZZNKSA-N 1 2 270.313 3.423 20 30 CGEDLO CN(C)c1cc(COc2ccc(C#N)c(Cl)c2)cc[nH+]1 ZINC000783985367 628762954 /nfs/dbraw/zinc/76/29/54/628762954.db2.gz ASSTVFONYPAKSC-UHFFFAOYSA-N 1 2 287.750 3.252 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(CC#N)cc2)ccc1F ZINC000784047438 628772026 /nfs/dbraw/zinc/77/20/26/628772026.db2.gz NOHJDKZVJKLYDC-UHFFFAOYSA-N 1 2 297.333 3.037 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cncs1 ZINC000787170979 628997808 /nfs/dbraw/zinc/99/78/08/628997808.db2.gz FJFWDFGMUOODBS-OWOJBTEDSA-N 1 2 287.369 3.286 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000787772361 629028797 /nfs/dbraw/zinc/02/87/97/629028797.db2.gz CSUAFFVJUMOASW-LJQANCHMSA-N 1 2 295.357 3.381 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000787772361 629028801 /nfs/dbraw/zinc/02/88/01/629028801.db2.gz CSUAFFVJUMOASW-LJQANCHMSA-N 1 2 295.357 3.381 20 30 CGEDLO CSc1ccc(C(C)=NNc2[nH+]ccn2C)cc1F ZINC000790301639 629201597 /nfs/dbraw/zinc/20/15/97/629201597.db2.gz GBYFIXRTTIFZBC-UHFFFAOYSA-N 1 2 278.356 3.117 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791582739 629291000 /nfs/dbraw/zinc/29/10/00/629291000.db2.gz CMBZTUKIUJFRRB-JGVFFNPUSA-N 1 2 272.108 3.168 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791582739 629291006 /nfs/dbraw/zinc/29/10/06/629291006.db2.gz CMBZTUKIUJFRRB-JGVFFNPUSA-N 1 2 272.108 3.168 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCC(C)(C)OC)c1O ZINC000864347011 629816146 /nfs/dbraw/zinc/81/61/46/629816146.db2.gz IJWKXVNQEYQDKE-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO C=C(C)CCOC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796735654 629822671 /nfs/dbraw/zinc/82/26/71/629822671.db2.gz JSCZFFFUJGBBIL-UHFFFAOYSA-N 1 2 294.301 3.132 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CC[C@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000799726841 630226164 /nfs/dbraw/zinc/22/61/64/630226164.db2.gz VBIOIUZPISIUQN-IVSAIRAKSA-N 1 2 299.418 3.404 20 30 CGEDLO CC(C)SCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000800867608 630306970 /nfs/dbraw/zinc/30/69/70/630306970.db2.gz IRZOZLBQUDWGJP-UHFFFAOYSA-N 1 2 272.801 3.119 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCSC(C)C)c(O)c1 ZINC000804599089 630541954 /nfs/dbraw/zinc/54/19/54/630541954.db2.gz UVLCVFOKQRCKEO-GDNBJRDFSA-N 1 2 267.394 3.351 20 30 CGEDLO Nc1ccc2c(c1)C(=[NH+]Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000814694457 631625223 /nfs/dbraw/zinc/62/52/23/631625223.db2.gz LEVQPORUJGPGTH-UHFFFAOYSA-N 1 2 296.330 3.330 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816519327 632003042 /nfs/dbraw/zinc/00/30/42/632003042.db2.gz GOFKUKKCVATALU-SECBINFHSA-N 1 2 282.746 3.309 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816519327 632003050 /nfs/dbraw/zinc/00/30/50/632003050.db2.gz GOFKUKKCVATALU-SECBINFHSA-N 1 2 282.746 3.309 20 30 CGEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)cnc1Cl ZINC000816631870 632026896 /nfs/dbraw/zinc/02/68/96/632026896.db2.gz JMVILLQTWYSUMH-UHFFFAOYSA-N 1 2 251.761 3.025 20 30 CGEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)cnc1Cl ZINC000816631870 632026901 /nfs/dbraw/zinc/02/69/01/632026901.db2.gz JMVILLQTWYSUMH-UHFFFAOYSA-N 1 2 251.761 3.025 20 30 CGEDLO CCCOc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821030798 632714026 /nfs/dbraw/zinc/71/40/26/632714026.db2.gz CFCZTNOUFMRPSJ-YCRREMRBSA-N 1 2 282.343 3.349 20 30 CGEDLO C[C@@H]([NH2+]CCOC1CCCCC1)c1cccc(C#N)c1O ZINC000866250284 633045554 /nfs/dbraw/zinc/04/55/54/633045554.db2.gz YAXAOZRFORFIHL-CYBMUJFWSA-N 1 2 288.391 3.264 20 30 CGEDLO CCc1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866274814 633058750 /nfs/dbraw/zinc/05/87/50/633058750.db2.gz UIHWBKZWNQVWBL-JTQLQIEISA-N 1 2 287.388 3.134 20 30 CGEDLO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866274792 633058971 /nfs/dbraw/zinc/05/89/71/633058971.db2.gz TZHPLDMOMAQSNI-CYZMBNFOSA-N 1 2 276.405 3.199 20 30 CGEDLO C[C@H]([NH2+]CCSC(C)(C)C)c1cccc(C#N)c1O ZINC000866291716 633067570 /nfs/dbraw/zinc/06/75/70/633067570.db2.gz ANHMAVYMJPPCMH-NSHDSACASA-N 1 2 278.421 3.446 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc(C#N)c1O ZINC000866388529 633117107 /nfs/dbraw/zinc/11/71/07/633117107.db2.gz CIALENUJBKBNGC-YMRXKLBXSA-N 1 2 294.354 3.093 20 30 CGEDLO C#C[C@H]([NH2+]Cc1c(F)cncc1Br)C(C)(C)C ZINC000825939563 633390092 /nfs/dbraw/zinc/39/00/92/633390092.db2.gz CDTVDDHSBVQVEQ-LBPRGKRZSA-N 1 2 299.187 3.121 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000826861529 633438381 /nfs/dbraw/zinc/43/83/81/633438381.db2.gz GLWRBOYHOTYTGX-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO C=CC(C)(C)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000828815866 633657790 /nfs/dbraw/zinc/65/77/90/633657790.db2.gz HDFJSZUJDHOZAU-UHFFFAOYSA-N 1 2 273.384 3.205 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1nc2c(s1)CCCC2 ZINC000828978824 633674722 /nfs/dbraw/zinc/67/47/22/633674722.db2.gz HIYCJKUOPBKEKE-LLVKDONJSA-N 1 2 275.421 3.366 20 30 CGEDLO CC(C)(C)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000871923452 633918040 /nfs/dbraw/zinc/91/80/40/633918040.db2.gz SLBUQZTTYJZEDM-GFCCVEGCSA-N 1 2 259.353 3.110 20 30 CGEDLO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000834902501 634278776 /nfs/dbraw/zinc/27/87/76/634278776.db2.gz BOXXWSXWGWZAOY-SMDDNHRTSA-N 1 2 283.799 3.413 20 30 CGEDLO Fc1cc(F)c(N[NH2+]C=C2CC2(F)F)cc1F ZINC000834959151 634294313 /nfs/dbraw/zinc/29/43/13/634294313.db2.gz FLTLWEFFYKWWAG-RXMQYKEDSA-N 1 2 250.170 3.157 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000876743815 634890857 /nfs/dbraw/zinc/89/08/57/634890857.db2.gz MSNPTXUVHDLWCI-UHFFFAOYSA-N 1 2 285.725 3.084 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000840710305 635039048 /nfs/dbraw/zinc/03/90/48/635039048.db2.gz PXUNEKWUKMPELA-CYUIRQCWSA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(=O)OCC ZINC000877672076 635140941 /nfs/dbraw/zinc/14/09/41/635140941.db2.gz VTSJSXPKGHUSMR-ONGXEEELSA-N 1 2 295.757 3.084 20 30 CGEDLO CC([NH2+]Nc1oc(C(C)(C)C)nc1C#N)=C1CC1(F)F ZINC000841622525 635199485 /nfs/dbraw/zinc/19/94/85/635199485.db2.gz WKXKIPGTCCANSQ-MRVPVSSYSA-N 1 2 282.294 3.287 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccccc1 ZINC000878363142 635475327 /nfs/dbraw/zinc/47/53/27/635475327.db2.gz SELCEIPFCPLELP-OAHLLOKOSA-N 1 2 280.371 3.408 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878699108 635608486 /nfs/dbraw/zinc/60/84/86/635608486.db2.gz MXIPAPCMFKKSSU-NEPJUHHUSA-N 1 2 293.798 3.257 20 30 CGEDLO C=CCCC[C@@H](C(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000880026813 635901156 /nfs/dbraw/zinc/90/11/56/635901156.db2.gz LGXBQVJNKWKSRO-QGZVFWFLSA-N 1 2 297.402 3.176 20 30 CGEDLO C[C@H](CC(=O)OCCCCC(C)(C)C#N)n1cc[nH+]c1 ZINC000845283270 636019365 /nfs/dbraw/zinc/01/93/65/636019365.db2.gz BGDYJIDLWMBXKZ-CYBMUJFWSA-N 1 2 277.368 3.097 20 30 CGEDLO C=CC[C@@H]1CC[C@H]([NH2+]CC(F)(F)Br)C1 ZINC000846058414 636140075 /nfs/dbraw/zinc/14/00/75/636140075.db2.gz OBLWTOTUFNQZIE-BDAKNGLRSA-N 1 2 268.145 3.309 20 30 CGEDLO C#CCCC[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000847866158 636477403 /nfs/dbraw/zinc/47/74/03/636477403.db2.gz AEDIIZRGVBLHRH-OAHLLOKOSA-N 1 2 296.370 3.280 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000883177371 636567549 /nfs/dbraw/zinc/56/75/49/636567549.db2.gz YXXMPIAVDDWZHF-UHFFFAOYSA-N 1 2 280.318 3.234 20 30 CGEDLO C[C@@H]1C(=NNCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000848417551 636572700 /nfs/dbraw/zinc/57/27/00/636572700.db2.gz AZDDHMHZEIAALL-GOEBONIOSA-N 1 2 282.391 3.042 20 30 CGEDLO CCC(=NNCCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000848417498 636573194 /nfs/dbraw/zinc/57/31/94/636573194.db2.gz AKKBTAKUVKBGGQ-UHFFFAOYSA-N 1 2 296.827 3.392 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](CN2c3cccc4cccc(c34)C2=O)C1 ZINC000848493376 636580220 /nfs/dbraw/zinc/58/02/20/636580220.db2.gz MPBLGACQQWKMHD-AWEZNQCLSA-N 1 2 290.366 3.103 20 30 CGEDLO C#C[C@H]1CCC[N@H+](CN2c3cccc4cccc(c34)C2=O)C1 ZINC000848493376 636580224 /nfs/dbraw/zinc/58/02/24/636580224.db2.gz MPBLGACQQWKMHD-AWEZNQCLSA-N 1 2 290.366 3.103 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1cccc(C#N)c1O ZINC000883249238 636619483 /nfs/dbraw/zinc/61/94/83/636619483.db2.gz ZKDQJHXTAZYCID-JSGCOSHPSA-N 1 2 288.391 3.120 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccccc1C(C)C ZINC000848884872 636674045 /nfs/dbraw/zinc/67/40/45/636674045.db2.gz HLAKEZLURKTGEO-UHFFFAOYSA-N 1 2 260.381 3.172 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccccc1C(C)C ZINC000848884872 636674050 /nfs/dbraw/zinc/67/40/50/636674050.db2.gz HLAKEZLURKTGEO-UHFFFAOYSA-N 1 2 260.381 3.172 20 30 CGEDLO COC[C@H](CC/[NH+]=C/c1c(O)ccc2ccccc21)OC ZINC000849170324 636761934 /nfs/dbraw/zinc/76/19/34/636761934.db2.gz OCBWAYCSBSLUGH-BGARDKSCSA-N 1 2 287.359 3.016 20 30 CGEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000886243082 637469273 /nfs/dbraw/zinc/46/92/73/637469273.db2.gz NQWPYMIAJULDOE-HNNXBMFYSA-N 1 2 290.794 3.100 20 30 CGEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000886243082 637469278 /nfs/dbraw/zinc/46/92/78/637469278.db2.gz NQWPYMIAJULDOE-HNNXBMFYSA-N 1 2 290.794 3.100 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000852099155 637593028 /nfs/dbraw/zinc/59/30/28/637593028.db2.gz FTSOLRYYXZGTQG-QMTHXVAHSA-N 1 2 275.377 3.251 20 30 CGEDLO C#CCC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000852719776 637699167 /nfs/dbraw/zinc/69/91/67/637699167.db2.gz PWZNEGOHPHWQPO-UHFFFAOYSA-N 1 2 264.166 3.096 20 30 CGEDLO C#CCC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000852719776 637699172 /nfs/dbraw/zinc/69/91/72/637699172.db2.gz PWZNEGOHPHWQPO-UHFFFAOYSA-N 1 2 264.166 3.096 20 30 CGEDLO C[C@H]([NH2+]C1CCC=CCC1)c1cccc(C#N)c1O ZINC000886815447 637700661 /nfs/dbraw/zinc/70/06/61/637700661.db2.gz DQRGHQGXGBZMRR-LBPRGKRZSA-N 1 2 256.349 3.413 20 30 CGEDLO C#CCC[N@@H+](CCOC)Cc1csc(CCC(C)C)n1 ZINC000852751762 637706328 /nfs/dbraw/zinc/70/63/28/637706328.db2.gz MLZWMASXWDMPJG-UHFFFAOYSA-N 1 2 294.464 3.203 20 30 CGEDLO C#CCC[N@H+](CCOC)Cc1csc(CCC(C)C)n1 ZINC000852751762 637706334 /nfs/dbraw/zinc/70/63/34/637706334.db2.gz MLZWMASXWDMPJG-UHFFFAOYSA-N 1 2 294.464 3.203 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)[C@@H](C)CC ZINC000853323760 637809286 /nfs/dbraw/zinc/80/92/86/637809286.db2.gz LKDZTKLWJMIVMU-WMLDXEAASA-N 1 2 290.407 3.083 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)CC(C)(C)C ZINC000853347356 637820271 /nfs/dbraw/zinc/82/02/71/637820271.db2.gz VCJYEPBGWBZNOB-AWEZNQCLSA-N 1 2 290.407 3.083 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H](C)F ZINC000853647664 637880840 /nfs/dbraw/zinc/88/08/40/637880840.db2.gz DIUFEEMSAWYJLF-GFCCVEGCSA-N 1 2 250.317 3.034 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@H]1c1ccco1 ZINC000853692896 637893904 /nfs/dbraw/zinc/89/39/04/637893904.db2.gz LLVLKZLFLKHNHX-ZIAGYGMSSA-N 1 2 282.343 3.435 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@H](CC)C1 ZINC000853698640 637895949 /nfs/dbraw/zinc/89/59/49/637895949.db2.gz ZMFRUFGUAZXZGE-HUUCEWRRSA-N 1 2 288.391 3.243 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1SCCS1 ZINC000853938735 637960666 /nfs/dbraw/zinc/96/06/66/637960666.db2.gz WUXALDBKGDGYGR-UHFFFAOYSA-N 1 2 294.445 3.092 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCCSC1)c1cccc(C#N)c1O ZINC000925218846 638477791 /nfs/dbraw/zinc/47/77/91/638477791.db2.gz QCIROEMCCRMKSA-JSGCOSHPSA-N 1 2 276.405 3.200 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C#N)c1O ZINC000926514451 638780384 /nfs/dbraw/zinc/78/03/84/638780384.db2.gz ZPRVVROMIFYBPF-NOLJZWGESA-N 1 2 283.375 3.387 20 30 CGEDLO CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926706331 638801622 /nfs/dbraw/zinc/80/16/22/638801622.db2.gz TTXRQPYKACHBKX-GXTWGEPZSA-N 1 2 280.318 3.350 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000926821611 638815396 /nfs/dbraw/zinc/81/53/96/638815396.db2.gz KNEGUMNQBMKOBP-ZFWWWQNUSA-N 1 2 288.391 3.120 20 30 CGEDLO CCCCCCCC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927773592 638869367 /nfs/dbraw/zinc/86/93/67/638869367.db2.gz NUBYNMDIRRDIHI-UHFFFAOYSA-N 1 2 297.468 3.181 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929773829 638949350 /nfs/dbraw/zinc/94/93/50/638949350.db2.gz CWQSGOICFDXZHQ-UBSAEIQESA-N 1 2 280.318 3.287 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929773829 638949351 /nfs/dbraw/zinc/94/93/51/638949351.db2.gz CWQSGOICFDXZHQ-UBSAEIQESA-N 1 2 280.318 3.287 20 30 CGEDLO C=C(Br)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190956145 640279457 /nfs/dbraw/zinc/27/94/57/640279457.db2.gz CCQMFTKWFSOZAL-UHFFFAOYSA-N 1 2 294.551 3.183 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008576905 640951658 /nfs/dbraw/zinc/95/16/58/640951658.db2.gz YUUNIQUEQGOCCI-RBSFLKMASA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008576905 640951662 /nfs/dbraw/zinc/95/16/62/640951662.db2.gz YUUNIQUEQGOCCI-RBSFLKMASA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2cccnc2Cl)ccc1F ZINC000112969195 640972086 /nfs/dbraw/zinc/97/20/86/640972086.db2.gz FUSJSFCVFJGSFJ-UHFFFAOYSA-N 1 2 293.729 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016361908 640996373 /nfs/dbraw/zinc/99/63/73/640996373.db2.gz ISEDQCXZHBMMSU-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016361908 640996378 /nfs/dbraw/zinc/99/63/78/640996378.db2.gz ISEDQCXZHBMMSU-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCC3(F)CCOCC3)c2c1 ZINC001157351614 805796691 /nfs/dbraw/zinc/79/66/91/805796691.db2.gz XVYWWNOCRVNONL-UHFFFAOYSA-N 1 2 285.322 3.037 20 30 CGEDLO N#Cc1cccc(Cl)c1SCCn1cc[nH+]c1 ZINC001166745511 807091209 /nfs/dbraw/zinc/09/12/09/807091209.db2.gz IYRWCHTYHNQTAC-UHFFFAOYSA-N 1 2 263.753 3.200 20 30 CGEDLO C=CCN(c1nc(N2CCCC2)c(C)c[nH+]1)C(C)(C)C ZINC001157583212 805838862 /nfs/dbraw/zinc/83/88/62/805838862.db2.gz PIFJDLLZRQJDLO-UHFFFAOYSA-N 1 2 274.412 3.176 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001252134919 806020201 /nfs/dbraw/zinc/02/02/01/806020201.db2.gz ZOAQYRRWHJPQCU-INIZCTEOSA-N 1 2 299.455 3.125 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001252134919 806020211 /nfs/dbraw/zinc/02/02/11/806020211.db2.gz ZOAQYRRWHJPQCU-INIZCTEOSA-N 1 2 299.455 3.125 20 30 CGEDLO Cc1nc(N[C@@H]2CCc3c2cccc3C#N)c2c([nH+]1)CCC2 ZINC001159916682 806198026 /nfs/dbraw/zinc/19/80/26/806198026.db2.gz SILZNSQRDFEXAF-QGZVFWFLSA-N 1 2 290.370 3.245 20 30 CGEDLO C=C[C@H](O)CNc1ccc(Oc2cc[nH+]c(C)c2)cc1 ZINC001253593480 806268383 /nfs/dbraw/zinc/26/83/83/806268383.db2.gz MUJJJKUOGMHGEI-AWEZNQCLSA-N 1 2 270.332 3.141 20 30 CGEDLO CC(C)(C)[C@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253730409 806288017 /nfs/dbraw/zinc/28/80/17/806288017.db2.gz VJHRBXVJDFMDBV-OAHLLOKOSA-N 1 2 294.826 3.463 20 30 CGEDLO CC(C)(C)[C@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253730409 806288024 /nfs/dbraw/zinc/28/80/24/806288024.db2.gz VJHRBXVJDFMDBV-OAHLLOKOSA-N 1 2 294.826 3.463 20 30 CGEDLO Cc1nc(NCc2c[nH+]cn2C(C)C)c(Cl)cc1C#N ZINC001161569285 806393987 /nfs/dbraw/zinc/39/39/87/806393987.db2.gz GACZPVXPELAENF-UHFFFAOYSA-N 1 2 289.770 3.305 20 30 CGEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC(C)C)[nH+]1 ZINC001161647217 806411843 /nfs/dbraw/zinc/41/18/43/806411843.db2.gz PBCFTYQMYYSUIX-YZILGEIOSA-N 1 2 295.452 3.339 20 30 CGEDLO COC(=[NH2+])c1cccc(N[C@H](C#N)c2ccccc2)c1 ZINC001161721641 806434313 /nfs/dbraw/zinc/43/43/13/806434313.db2.gz PKVIPZGRVXXKLN-OAHLLOKOSA-N 1 2 265.316 3.335 20 30 CGEDLO Cc1c[nH+]c(NCC(C)(C)CC2CC2)c(/C=N/O)c1 ZINC001162125524 806510002 /nfs/dbraw/zinc/51/00/02/806510002.db2.gz IZINLYSJHJXEDA-GIJQJNRQSA-N 1 2 261.369 3.436 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC001255171955 806565075 /nfs/dbraw/zinc/56/50/75/806565075.db2.gz FYQNZVHQBSSTJM-CABCVRRESA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC001255171955 806565084 /nfs/dbraw/zinc/56/50/84/806565084.db2.gz FYQNZVHQBSSTJM-CABCVRRESA-N 1 2 288.391 3.231 20 30 CGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001255298575 806599045 /nfs/dbraw/zinc/59/90/45/806599045.db2.gz DPGRIMATOXJACD-LRDDRELGSA-N 1 2 265.397 3.053 20 30 CGEDLO N#Cc1ccnnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000124967321 798998475 /nfs/dbraw/zinc/99/84/75/798998475.db2.gz NZLZNKBZCLSTOO-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Cl)nc1 ZINC000255843559 799173308 /nfs/dbraw/zinc/17/33/08/799173308.db2.gz IXWCDTDWFXSPAI-WAYWQWQTSA-N 1 2 283.718 3.279 20 30 CGEDLO N#Cc1ccccc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000588618527 799722193 /nfs/dbraw/zinc/72/21/93/799722193.db2.gz XTXCCJSBUBOPRS-HJWRWDBZSA-N 1 2 273.295 3.102 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255870998 806776663 /nfs/dbraw/zinc/77/66/63/806776663.db2.gz RSWXITZOKUZASV-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255870998 806776666 /nfs/dbraw/zinc/77/66/66/806776666.db2.gz RSWXITZOKUZASV-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255870998 806776669 /nfs/dbraw/zinc/77/66/69/806776669.db2.gz RSWXITZOKUZASV-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255870998 806776672 /nfs/dbraw/zinc/77/66/72/806776672.db2.gz RSWXITZOKUZASV-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708723085 799993916 /nfs/dbraw/zinc/99/39/16/799993916.db2.gz ODTYFUCHCCCAGT-MRVPVSSYSA-N 1 2 272.108 3.169 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708723085 799993919 /nfs/dbraw/zinc/99/39/19/799993919.db2.gz ODTYFUCHCCCAGT-MRVPVSSYSA-N 1 2 272.108 3.169 20 30 CGEDLO COC1(C)CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001163943202 806855610 /nfs/dbraw/zinc/85/56/10/806855610.db2.gz ULQDTBSVFGBUDV-UHFFFAOYSA-N 1 2 281.359 3.112 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001031112364 800903925 /nfs/dbraw/zinc/90/39/25/800903925.db2.gz UZSKBJQMBUZEDK-HUUCEWRRSA-N 1 2 292.467 3.215 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329780 800958467 /nfs/dbraw/zinc/95/84/67/800958467.db2.gz SSLLOSNODXJHLD-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329780 800958471 /nfs/dbraw/zinc/95/84/71/800958471.db2.gz SSLLOSNODXJHLD-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001042946243 801214656 /nfs/dbraw/zinc/21/46/56/801214656.db2.gz VRBCZNWZXRRZSR-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)C2CCCCC2)C1 ZINC001044023017 801228831 /nfs/dbraw/zinc/22/88/31/801228831.db2.gz NVLXNHXIBSKFRJ-UHFFFAOYSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001044188257 801230532 /nfs/dbraw/zinc/23/05/32/801230532.db2.gz GKWZHIGXOLRBJL-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107275 801298285 /nfs/dbraw/zinc/29/82/85/801298285.db2.gz BPGOFYMYUCZZSU-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107275 801298292 /nfs/dbraw/zinc/29/82/92/801298292.db2.gz BPGOFYMYUCZZSU-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cscc2C)C1 ZINC001046221783 801302424 /nfs/dbraw/zinc/30/24/24/801302424.db2.gz VKGVTHGQCAKJLH-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cscc2C)C1 ZINC001046221783 801302431 /nfs/dbraw/zinc/30/24/31/801302431.db2.gz VKGVTHGQCAKJLH-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080277087 801649444 /nfs/dbraw/zinc/64/94/44/801649444.db2.gz FKEQBTJMBNKRCU-MRVWCRGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080277087 801649446 /nfs/dbraw/zinc/64/94/46/801649446.db2.gz FKEQBTJMBNKRCU-MRVWCRGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109625345 802121239 /nfs/dbraw/zinc/12/12/39/802121239.db2.gz ZVAREEGEROYKIB-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109625345 802121243 /nfs/dbraw/zinc/12/12/43/802121243.db2.gz ZVAREEGEROYKIB-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001110380493 802138134 /nfs/dbraw/zinc/13/81/34/802138134.db2.gz WYSSAWSODYGHMO-MYPMTAMASA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001110380493 802138139 /nfs/dbraw/zinc/13/81/39/802138139.db2.gz WYSSAWSODYGHMO-MYPMTAMASA-N 1 2 298.858 3.143 20 30 CGEDLO CC1(C)CN(c2[nH+]ccc3[nH]cc(C#N)c32)CCC1(F)F ZINC001165216128 806975583 /nfs/dbraw/zinc/97/55/83/806975583.db2.gz IXXJPQRTVCNGTC-UHFFFAOYSA-N 1 2 290.317 3.306 20 30 CGEDLO SCc1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001243902324 803068709 /nfs/dbraw/zinc/06/87/09/803068709.db2.gz CZVWMBLDUZPANC-UHFFFAOYSA-N 1 2 286.400 3.015 20 30 CGEDLO C=CCN1CC[NH+](CCc2ccc(Cl)cc2Cl)CC1 ZINC001209082287 813929178 /nfs/dbraw/zinc/92/91/78/813929178.db2.gz NCGHLRZPJAXQEQ-UHFFFAOYSA-N 1 2 299.245 3.340 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136987392 803668112 /nfs/dbraw/zinc/66/81/12/803668112.db2.gz WMTKIQUNOHAAHB-HNNXBMFYSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136987392 803668116 /nfs/dbraw/zinc/66/81/16/803668116.db2.gz WMTKIQUNOHAAHB-HNNXBMFYSA-N 1 2 257.312 3.043 20 30 CGEDLO CCCCN(CCC#N)Cc1[nH+]c2ccccn2c1C ZINC001137272072 803705266 /nfs/dbraw/zinc/70/52/66/803705266.db2.gz GTKREPDZGGBSJH-UHFFFAOYSA-N 1 2 270.380 3.159 20 30 CGEDLO CCCCN(CCC#N)Cc1c[nH+]c2ccc(C)cn12 ZINC001137309092 803712850 /nfs/dbraw/zinc/71/28/50/803712850.db2.gz ZBOLQMPDTQOCKT-UHFFFAOYSA-N 1 2 270.380 3.159 20 30 CGEDLO Cc1cc(-c2nc3ccccc3cc2CC#N)c[nH+]c1N ZINC001245537927 803794972 /nfs/dbraw/zinc/79/49/72/803794972.db2.gz LWQVVSWOEHDUOX-UHFFFAOYSA-N 1 2 274.327 3.254 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc2c(cc1Cl)OCO2 ZINC001138245159 803880811 /nfs/dbraw/zinc/88/08/11/803880811.db2.gz STUMUNZDNURUHO-UHFFFAOYSA-N 1 2 265.740 3.243 20 30 CGEDLO C=CCc1cccc(C[N@@H+]2Cc3cccnc3C2)c1O ZINC001138623500 803983988 /nfs/dbraw/zinc/98/39/88/803983988.db2.gz HEBPIISMOXUVJQ-UHFFFAOYSA-N 1 2 266.344 3.032 20 30 CGEDLO C=CCc1cccc(C[N@H+]2Cc3cccnc3C2)c1O ZINC001138623500 803983996 /nfs/dbraw/zinc/98/39/96/803983996.db2.gz HEBPIISMOXUVJQ-UHFFFAOYSA-N 1 2 266.344 3.032 20 30 CGEDLO C=CCc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c1O ZINC001138625241 803984055 /nfs/dbraw/zinc/98/40/55/803984055.db2.gz IJURRQLJGAMCFN-KBPBESRZSA-N 1 2 267.319 3.003 20 30 CGEDLO C=CCc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c1O ZINC001138625241 803984061 /nfs/dbraw/zinc/98/40/61/803984061.db2.gz IJURRQLJGAMCFN-KBPBESRZSA-N 1 2 267.319 3.003 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001138971011 804096036 /nfs/dbraw/zinc/09/60/36/804096036.db2.gz CXFOOOVOJZERAM-INIZCTEOSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001138971011 804096046 /nfs/dbraw/zinc/09/60/46/804096046.db2.gz CXFOOOVOJZERAM-INIZCTEOSA-N 1 2 272.392 3.457 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139075397 804125670 /nfs/dbraw/zinc/12/56/70/804125670.db2.gz JHODUQMBQOCAAE-UHFFFAOYSA-N 1 2 280.755 3.194 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc2c(c(Cl)c1)OCO2 ZINC001139075397 804125673 /nfs/dbraw/zinc/12/56/73/804125673.db2.gz JHODUQMBQOCAAE-UHFFFAOYSA-N 1 2 280.755 3.194 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Oc2ncccn2)cc1 ZINC001139080865 804125744 /nfs/dbraw/zinc/12/57/44/804125744.db2.gz MCGHRSGLFQGYEA-UHFFFAOYSA-N 1 2 282.347 3.004 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Oc2ncccn2)cc1 ZINC001139080865 804125748 /nfs/dbraw/zinc/12/57/48/804125748.db2.gz MCGHRSGLFQGYEA-UHFFFAOYSA-N 1 2 282.347 3.004 20 30 CGEDLO Cc1ccc(C(F)(F)F)cc1C[NH+]1CC(CC#N)C1 ZINC001139884308 804314657 /nfs/dbraw/zinc/31/46/57/804314657.db2.gz YAQKWQXJQQAGRZ-UHFFFAOYSA-N 1 2 268.282 3.359 20 30 CGEDLO N#CCC[N@H+](Cc1cccnn1)C1CCCCCCC1 ZINC001139973393 804339626 /nfs/dbraw/zinc/33/96/26/804339626.db2.gz SXGDUYVZERJMRF-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnn1)C1CCCCCCC1 ZINC001139973393 804339632 /nfs/dbraw/zinc/33/96/32/804339632.db2.gz SXGDUYVZERJMRF-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)cc1Cl)C2 ZINC001140081183 804370549 /nfs/dbraw/zinc/37/05/49/804370549.db2.gz GZELACCNANJXPO-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(O)cc1Cl)C2 ZINC001140081183 804370555 /nfs/dbraw/zinc/37/05/55/804370555.db2.gz GZELACCNANJXPO-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432110 804431861 /nfs/dbraw/zinc/43/18/61/804431861.db2.gz VWVSYEGJTAPCNS-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432110 804431866 /nfs/dbraw/zinc/43/18/66/804431866.db2.gz VWVSYEGJTAPCNS-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(OC)c1 ZINC001140479851 804445344 /nfs/dbraw/zinc/44/53/44/804445344.db2.gz PSOYXRGPZMPRCC-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(OC)c1 ZINC001140479851 804445349 /nfs/dbraw/zinc/44/53/49/804445349.db2.gz PSOYXRGPZMPRCC-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(F)c(O)c(F)c1)C1CCCC1 ZINC001140990398 804564933 /nfs/dbraw/zinc/56/49/33/804564933.db2.gz XTODGNDXFFGCLX-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](CF)C2)c1F ZINC001143172888 804814808 /nfs/dbraw/zinc/81/48/08/804814808.db2.gz FOUPOCBNSSFCCH-SNVBAGLBSA-N 1 2 268.282 3.018 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CF)C2)c1F ZINC001143172888 804814812 /nfs/dbraw/zinc/81/48/12/804814812.db2.gz FOUPOCBNSSFCCH-SNVBAGLBSA-N 1 2 268.282 3.018 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143174522 804816519 /nfs/dbraw/zinc/81/65/19/804816519.db2.gz SDDAUQMRCAESRV-UOJUARBOSA-N 1 2 287.313 3.103 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143174522 804816532 /nfs/dbraw/zinc/81/65/32/804816532.db2.gz SDDAUQMRCAESRV-UOJUARBOSA-N 1 2 287.313 3.103 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144176731 804948507 /nfs/dbraw/zinc/94/85/07/804948507.db2.gz CQJLANBYTOVGIH-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144176731 804948511 /nfs/dbraw/zinc/94/85/11/804948511.db2.gz CQJLANBYTOVGIH-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO Cc1nc(C[N@@H+]2CCc3cc(C#N)ccc3C2)sc1C ZINC001144359689 804977864 /nfs/dbraw/zinc/97/78/64/804977864.db2.gz KEYLXASPLSMRTH-UHFFFAOYSA-N 1 2 283.400 3.190 20 30 CGEDLO Cc1nc(C[N@H+]2CCc3cc(C#N)ccc3C2)sc1C ZINC001144359689 804977871 /nfs/dbraw/zinc/97/78/71/804977871.db2.gz KEYLXASPLSMRTH-UHFFFAOYSA-N 1 2 283.400 3.190 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccnc(SC(C)C)n1 ZINC001248832129 805010933 /nfs/dbraw/zinc/01/09/33/805010933.db2.gz BVPNWOGACCQRSU-UHFFFAOYSA-N 1 2 263.410 3.151 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001144743839 805050595 /nfs/dbraw/zinc/05/05/95/805050595.db2.gz BZARAYQHICHQLJ-CQSZACIVSA-N 1 2 257.362 3.032 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144743839 805050606 /nfs/dbraw/zinc/05/06/06/805050606.db2.gz BZARAYQHICHQLJ-CQSZACIVSA-N 1 2 257.362 3.032 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)c(Cl)nc1C ZINC001248988917 805066988 /nfs/dbraw/zinc/06/69/88/805066988.db2.gz NMKCDUOKJMOPLZ-UHFFFAOYSA-N 1 2 263.772 3.087 20 30 CGEDLO N#Cc1ccc(Cc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001250051680 805390556 /nfs/dbraw/zinc/39/05/56/805390556.db2.gz CXNAGORDMOVAIY-UHFFFAOYSA-N 1 2 263.344 3.144 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)c(OCC)cc2F)cc[nH+]1 ZINC001250063511 805398959 /nfs/dbraw/zinc/39/89/59/805398959.db2.gz ROUYRKKZDOOHLI-UHFFFAOYSA-N 1 2 290.725 3.420 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(OC)c2Cl)cc[nH+]1 ZINC001250301895 805554235 /nfs/dbraw/zinc/55/42/35/805554235.db2.gz ZYFBDBSIUKHYMJ-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(F)c(OC(C)C)c(Cl)c1 ZINC001250303549 805554600 /nfs/dbraw/zinc/55/46/00/805554600.db2.gz MARCJMFWBFCKGO-UHFFFAOYSA-N 1 2 293.769 3.335 20 30 CGEDLO N#CCc1cc[nH+]c(N2CCC3(CCCC3)CC2)c1 ZINC001165322540 806993411 /nfs/dbraw/zinc/99/34/11/806993411.db2.gz ANLFYQAYDZEOSP-UHFFFAOYSA-N 1 2 255.365 3.308 20 30 CGEDLO C#C[C@H]1CCCN(c2ccc3cc(OC)c(OC)cc3[nH+]2)C1 ZINC001167004988 807126409 /nfs/dbraw/zinc/12/64/09/807126409.db2.gz DJFHUADYAJPJKY-ZDUSSCGKSA-N 1 2 296.370 3.102 20 30 CGEDLO C#C[C@@H]1CCCN(c2[nH+]ccc3cc(OC)c(F)cc32)C1 ZINC001167006352 807127730 /nfs/dbraw/zinc/12/77/30/807127730.db2.gz CFSOFLDJCVZUDP-GFCCVEGCSA-N 1 2 284.334 3.232 20 30 CGEDLO CCCCCCCCC[C@H](C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258230906 807378377 /nfs/dbraw/zinc/37/83/77/807378377.db2.gz DVWUMXXHFGRTOF-RRFJBIMHSA-N 1 2 287.444 3.028 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nccc(Cl)c2Cl)C1 ZINC001168424967 807410871 /nfs/dbraw/zinc/41/08/71/807410871.db2.gz YYJZJCFAGSHNHO-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2nccc(Cl)c2Cl)C1 ZINC001168424967 807410877 /nfs/dbraw/zinc/41/08/77/807410877.db2.gz YYJZJCFAGSHNHO-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO COC(=O)C1(C)CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001168770231 807509058 /nfs/dbraw/zinc/50/90/58/807509058.db2.gz CEMRXTXYCJKRNC-AVVWSFFYSA-N 1 2 280.412 3.026 20 30 CGEDLO C=CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001258733613 807579658 /nfs/dbraw/zinc/57/96/58/807579658.db2.gz JWNJERSLTHOHQN-WFASDCNBSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001258733613 807579661 /nfs/dbraw/zinc/57/96/61/807579661.db2.gz JWNJERSLTHOHQN-WFASDCNBSA-N 1 2 292.810 3.168 20 30 CGEDLO N#CCc1ccc[nH+]c1NCc1c(Cl)cncc1Cl ZINC001169182548 807598936 /nfs/dbraw/zinc/59/89/36/807598936.db2.gz YSTFNBXFLBLEJM-UHFFFAOYSA-N 1 2 293.157 3.462 20 30 CGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(C(C)C)CC1)C(=O)OCC ZINC001258801425 807622424 /nfs/dbraw/zinc/62/24/24/807622424.db2.gz ZXAUPORBUJMCOR-INTUILBWSA-N 1 2 279.424 3.299 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)C(=O)OCC ZINC001261256176 807723005 /nfs/dbraw/zinc/72/30/05/807723005.db2.gz ZLYBHRIJVLAVPC-NHYWBVRUSA-N 1 2 297.345 3.166 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCCC(C)C)C(=O)OCC ZINC001170064540 807744335 /nfs/dbraw/zinc/74/43/35/807744335.db2.gz QHZMIKQXAPJBAB-FMKPAKJESA-N 1 2 267.413 3.299 20 30 CGEDLO CC(C)(S)CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001170308840 807825128 /nfs/dbraw/zinc/82/51/28/807825128.db2.gz GHXUXDXVFZMWBQ-UHFFFAOYSA-N 1 2 289.404 3.176 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933646 807938974 /nfs/dbraw/zinc/93/89/74/807938974.db2.gz JDNJKODVIDZFLS-OCCSQVGLSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933646 807938977 /nfs/dbraw/zinc/93/89/77/807938977.db2.gz JDNJKODVIDZFLS-OCCSQVGLSA-N 1 2 274.795 3.433 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1C1=CC[C@@H](C#N)CC1 ZINC001212861009 815162912 /nfs/dbraw/zinc/16/29/12/815162912.db2.gz LURHWFYAKJCAGS-LLVKDONJSA-N 1 2 252.321 3.092 20 30 CGEDLO Cc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc1 ZINC001171177171 808001384 /nfs/dbraw/zinc/00/13/84/808001384.db2.gz HXKRHDSBHLTQMF-UHFFFAOYSA-N 1 2 277.327 3.286 20 30 CGEDLO CC(C)Oc1cc(NCCOc2ccc(C#N)cc2)cc[nH+]1 ZINC001171485833 808074670 /nfs/dbraw/zinc/07/46/70/808074670.db2.gz ZSNKOTUGFIAFRP-UHFFFAOYSA-N 1 2 297.358 3.231 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 ZINC001266600316 808295385 /nfs/dbraw/zinc/29/53/85/808295385.db2.gz PYKZAOFLUVPUTH-ZIAGYGMSSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 ZINC001266600316 808295392 /nfs/dbraw/zinc/29/53/92/808295392.db2.gz PYKZAOFLUVPUTH-ZIAGYGMSSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1occc1C(C)C ZINC001267248798 808395989 /nfs/dbraw/zinc/39/59/89/808395989.db2.gz GVEAZTQUJWBCJF-UHFFFAOYSA-N 1 2 298.814 3.207 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1occc1C(C)C ZINC001267248798 808395997 /nfs/dbraw/zinc/39/59/97/808395997.db2.gz GVEAZTQUJWBCJF-UHFFFAOYSA-N 1 2 298.814 3.207 20 30 CGEDLO N#Cc1ncc(Nc2cccc3[nH+]c[nH]c32)cc1Cl ZINC001213029699 815204454 /nfs/dbraw/zinc/20/44/54/815204454.db2.gz RVCCNZFQBKOZEQ-UHFFFAOYSA-N 1 2 269.695 3.227 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173607289 808652257 /nfs/dbraw/zinc/65/22/57/808652257.db2.gz OQYYUJWQELMARG-OBKBAYEDSA-N 1 2 292.423 3.170 20 30 CGEDLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc(C)c1C#N ZINC001274968506 808894778 /nfs/dbraw/zinc/89/47/78/808894778.db2.gz DDXNKVZLZPSKAJ-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO CC(C)n1c[nH+]c2cc(Nc3nnccc3C#N)ccc21 ZINC001174382542 808985239 /nfs/dbraw/zinc/98/52/39/808985239.db2.gz VPKBUZWRDVNPFK-UHFFFAOYSA-N 1 2 278.319 3.022 20 30 CGEDLO N#Cc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1C#N ZINC001174411533 809004274 /nfs/dbraw/zinc/00/42/74/809004274.db2.gz AVAHEXBGXMMHIR-UHFFFAOYSA-N 1 2 259.272 3.001 20 30 CGEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@](C)(CC)CCCCC ZINC001276976596 809051006 /nfs/dbraw/zinc/05/10/06/809051006.db2.gz DNBGFVGYDBLBJA-AEFFLSMTSA-N 1 2 292.467 3.197 20 30 CGEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@](C)(CC)CCCCC ZINC001276976596 809051012 /nfs/dbraw/zinc/05/10/12/809051012.db2.gz DNBGFVGYDBLBJA-AEFFLSMTSA-N 1 2 292.467 3.197 20 30 CGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(C(F)F)c1 ZINC001174622477 809107416 /nfs/dbraw/zinc/10/74/16/809107416.db2.gz JJHTXHCZEXWLPC-UHFFFAOYSA-N 1 2 277.274 3.264 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)CCCC)C1 ZINC001278388309 809129733 /nfs/dbraw/zinc/12/97/33/809129733.db2.gz JKYIOKJIGJUQGZ-IUODEOHRSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)CCCC)C1 ZINC001278388309 809129738 /nfs/dbraw/zinc/12/97/38/809129738.db2.gz JKYIOKJIGJUQGZ-IUODEOHRSA-N 1 2 286.847 3.146 20 30 CGEDLO CN(C)c1ccc(Nc2cc(C#N)cn2C(C)(C)C)c[nH+]1 ZINC001175338285 809364037 /nfs/dbraw/zinc/36/40/37/809364037.db2.gz BDERPFGLNHWSSA-UHFFFAOYSA-N 1 2 283.379 3.319 20 30 CGEDLO C#Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1F ZINC001175343519 809368404 /nfs/dbraw/zinc/36/84/04/809368404.db2.gz GECAEFOEKZGKOB-UHFFFAOYSA-N 1 2 255.296 3.012 20 30 CGEDLO Cc1cc(C#N)c(F)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345579 809370259 /nfs/dbraw/zinc/37/02/59/809370259.db2.gz FURJBTJROOGULL-UHFFFAOYSA-N 1 2 270.311 3.210 20 30 CGEDLO COc1cc(C#N)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175348176 809371368 /nfs/dbraw/zinc/37/13/68/809371368.db2.gz BXOMEPAEXJPXBC-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO N#Cc1cccc(F)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349609 809373461 /nfs/dbraw/zinc/37/34/61/809373461.db2.gz AZCRZACSEWXJOX-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO N#CCc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352172 809374849 /nfs/dbraw/zinc/37/48/49/809374849.db2.gz SAAIYCNQJVIJJQ-UHFFFAOYSA-N 1 2 278.359 3.491 20 30 CGEDLO C[N@H+]1CCCC(=Nc2sc3ccccc3c2C#N)C1 ZINC001175577373 809458735 /nfs/dbraw/zinc/45/87/35/809458735.db2.gz RSZMHZCEJXJLIB-UHFFFAOYSA-N 1 2 269.373 3.404 20 30 CGEDLO C[N@@H+]1CCCC(=Nc2sc3ccccc3c2C#N)C1 ZINC001175577373 809458729 /nfs/dbraw/zinc/45/87/29/809458729.db2.gz RSZMHZCEJXJLIB-UHFFFAOYSA-N 1 2 269.373 3.404 20 30 CGEDLO Cc1c[nH+]cc(Nc2nc3ncccc3cc2C#N)c1C ZINC001213522560 815297474 /nfs/dbraw/zinc/29/74/74/815297474.db2.gz CIQBFTXVYZLXNP-UHFFFAOYSA-N 1 2 275.315 3.257 20 30 CGEDLO COc1cc[nH+]cc1Nc1cccnc1C#C[Si](C)(C)C ZINC001176116393 809625585 /nfs/dbraw/zinc/62/55/85/809625585.db2.gz BHDIIYLAKMUBAJ-UHFFFAOYSA-N 1 2 297.434 3.458 20 30 CGEDLO CC(C)COc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001213642082 815315975 /nfs/dbraw/zinc/31/59/75/815315975.db2.gz NEDPZQMHCNMTNY-UHFFFAOYSA-N 1 2 299.374 3.361 20 30 CGEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H](C)CC#N ZINC001179479906 809924147 /nfs/dbraw/zinc/92/41/47/809924147.db2.gz XIYRYZFMGMULAZ-NSHDSACASA-N 1 2 286.354 3.020 20 30 CGEDLO C#Cc1cc(Nc2ccc3sccc3c2)cc[nH+]1 ZINC001213926085 815346652 /nfs/dbraw/zinc/34/66/52/815346652.db2.gz ICPXSMOYYXAWNU-UHFFFAOYSA-N 1 2 250.326 3.443 20 30 CGEDLO N#Cc1cnccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC001214007232 815355976 /nfs/dbraw/zinc/35/59/76/815355976.db2.gz UOOGWCOQPBZWAA-UHFFFAOYSA-N 1 2 280.718 3.320 20 30 CGEDLO C=C(C)Cc1ccc(C(=O)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001190215845 810612541 /nfs/dbraw/zinc/61/25/41/810612541.db2.gz BNUSZBWSNKNGGY-UHFFFAOYSA-N 1 2 292.382 3.363 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC001202243880 812050062 /nfs/dbraw/zinc/05/00/62/812050062.db2.gz CZFONLOLFBGUPG-UHFFFAOYSA-N 1 2 275.396 3.234 20 30 CGEDLO N#Cc1ncc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1F ZINC001203050299 812230263 /nfs/dbraw/zinc/23/02/63/812230263.db2.gz OVVUIHDPRNHMBA-UHFFFAOYSA-N 1 2 298.708 3.459 20 30 CGEDLO Cc1ccc(Nc2nc(Cl)ccc2C#N)c(C)[nH+]1 ZINC001203370184 812327729 /nfs/dbraw/zinc/32/77/29/812327729.db2.gz HHIPGTOKYMXXRN-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1cc(C)c[nH+]c1C ZINC001203669722 812425261 /nfs/dbraw/zinc/42/52/61/812425261.db2.gz VWFGAGOFQSDGIS-UHFFFAOYSA-N 1 2 295.342 3.409 20 30 CGEDLO Cc1cccc(C[NH+]2CC(Oc3ccccc3C#N)C2)c1C ZINC001205103732 812867860 /nfs/dbraw/zinc/86/78/60/812867860.db2.gz ONHMHKUNEPZABF-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161613 813717779 /nfs/dbraw/zinc/71/77/79/813717779.db2.gz OECNOWRKRWWNSX-ABAIWWIYSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161613 813717783 /nfs/dbraw/zinc/71/77/83/813717783.db2.gz OECNOWRKRWWNSX-ABAIWWIYSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)o1 ZINC001208161613 813717785 /nfs/dbraw/zinc/71/77/85/813717785.db2.gz OECNOWRKRWWNSX-ABAIWWIYSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3SC(=O)C=C3C2)o1 ZINC001208161613 813717790 /nfs/dbraw/zinc/71/77/90/813717790.db2.gz OECNOWRKRWWNSX-ABAIWWIYSA-N 1 2 291.416 3.356 20 30 CGEDLO COc1cc(C#N)ccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001209328911 814000736 /nfs/dbraw/zinc/00/07/36/814000736.db2.gz RJKMQKDLKTWTKJ-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C=CCCCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209431536 814031191 /nfs/dbraw/zinc/03/11/91/814031191.db2.gz PJEQQZMHQROHFG-CYBMUJFWSA-N 1 2 261.356 3.215 20 30 CGEDLO C=CCCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209431536 814031197 /nfs/dbraw/zinc/03/11/97/814031197.db2.gz PJEQQZMHQROHFG-CYBMUJFWSA-N 1 2 261.356 3.215 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)cc(C)c2F)cc[nH+]1 ZINC001210024722 814250602 /nfs/dbraw/zinc/25/06/02/814250602.db2.gz WFBPTSCZIDYCNM-UHFFFAOYSA-N 1 2 260.699 3.329 20 30 CGEDLO Cc1cc(Nc2cc(C#N)c(C#N)cc2N)ccc1[NH+](C)C ZINC001210042978 814260630 /nfs/dbraw/zinc/26/06/30/814260630.db2.gz GYCVEMJURORDBQ-UHFFFAOYSA-N 1 2 291.358 3.130 20 30 CGEDLO Cc1cn2c(cccc2NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001210150500 814312477 /nfs/dbraw/zinc/31/24/77/814312477.db2.gz WKFQLVNRWCHNLC-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO Cc1noc(Nc2cccc3cc[nH+]cc32)c1C#N ZINC001210222478 814348753 /nfs/dbraw/zinc/34/87/53/814348753.db2.gz JPAAUMPJCFVUHU-UHFFFAOYSA-N 1 2 250.261 3.147 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(C#N)ccc1C ZINC001210494912 814487874 /nfs/dbraw/zinc/48/78/74/814487874.db2.gz BSJNWQNMKIGMIH-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO COc1cc(Nc2cnc(C#N)c(Cl)c2)cc(C)[nH+]1 ZINC001210779576 814624227 /nfs/dbraw/zinc/62/42/27/814624227.db2.gz SSFSDYIPDRWPOW-UHFFFAOYSA-N 1 2 274.711 3.062 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c3ccoc32)cc[nH+]1 ZINC001216295707 815771431 /nfs/dbraw/zinc/77/14/31/815771431.db2.gz RLHRWEIDMCRZQS-UHFFFAOYSA-N 1 2 252.248 3.114 20 30 CGEDLO CCc1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1C#N ZINC001216313626 815776961 /nfs/dbraw/zinc/77/69/61/815776961.db2.gz OILJRTOTQKEJBX-UHFFFAOYSA-N 1 2 266.348 3.325 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001221896369 816333603 /nfs/dbraw/zinc/33/36/03/816333603.db2.gz HKMCRPWPNNXECO-HUUCEWRRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001221896369 816333609 /nfs/dbraw/zinc/33/36/09/816333609.db2.gz HKMCRPWPNNXECO-HUUCEWRRSA-N 1 2 298.858 3.098 20 30 CGEDLO Cc1c(F)ccc(C[NH+]2CCC(C#N)CC2)c1F ZINC001231472629 818104734 /nfs/dbraw/zinc/10/47/34/818104734.db2.gz GDOHHYCQNJAEEZ-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2Cc3cccc(OC)c3C2)c1 ZINC001231660815 818152335 /nfs/dbraw/zinc/15/23/35/818152335.db2.gz JPHFHXPMXXEESM-UHFFFAOYSA-N 1 2 263.340 3.192 20 30 CGEDLO C#Cc1cccc(C[N@H+]2Cc3cccc(OC)c3C2)c1 ZINC001231660815 818152336 /nfs/dbraw/zinc/15/23/36/818152336.db2.gz JPHFHXPMXXEESM-UHFFFAOYSA-N 1 2 263.340 3.192 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C[C@H]1F ZINC001232111144 818258811 /nfs/dbraw/zinc/25/88/11/818258811.db2.gz APGCSUIMZFROOY-QMTHXVAHSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C[C@H]1F ZINC001232111144 818258816 /nfs/dbraw/zinc/25/88/16/818258816.db2.gz APGCSUIMZFROOY-QMTHXVAHSA-N 1 2 266.747 3.392 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232241753 818290378 /nfs/dbraw/zinc/29/03/78/818290378.db2.gz UFOWXPSOSDAXNO-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232241753 818290384 /nfs/dbraw/zinc/29/03/84/818290384.db2.gz UFOWXPSOSDAXNO-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444861 818353162 /nfs/dbraw/zinc/35/31/62/818353162.db2.gz JAURQEKEJCPARL-JTQLQIEISA-N 1 2 272.270 3.424 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444861 818353167 /nfs/dbraw/zinc/35/31/67/818353167.db2.gz JAURQEKEJCPARL-JTQLQIEISA-N 1 2 272.270 3.424 20 30 CGEDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(F)c1C#N ZINC001233096866 818521208 /nfs/dbraw/zinc/52/12/08/818521208.db2.gz MUISCPJDSRKWQD-ZDUSSCGKSA-N 1 2 293.361 3.087 20 30 CGEDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H](F)C2)c(F)c1C#N ZINC001233096866 818521212 /nfs/dbraw/zinc/52/12/12/818521212.db2.gz MUISCPJDSRKWQD-ZDUSSCGKSA-N 1 2 293.361 3.087 20 30 CGEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(F)C2)c(F)c1C#N ZINC001233099841 818521664 /nfs/dbraw/zinc/52/16/64/818521664.db2.gz WLCRXOQYPHRPAT-INIZCTEOSA-N 1 2 293.361 3.087 20 30 CGEDLO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(F)C2)c(F)c1C#N ZINC001233099841 818521671 /nfs/dbraw/zinc/52/16/71/818521671.db2.gz WLCRXOQYPHRPAT-INIZCTEOSA-N 1 2 293.361 3.087 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@H+](C)CCC#N)cc1 ZINC001234861381 818936969 /nfs/dbraw/zinc/93/69/69/818936969.db2.gz ZIACYAPFPNNZLT-UHFFFAOYSA-N 1 2 276.380 3.104 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001234861381 818936971 /nfs/dbraw/zinc/93/69/71/818936971.db2.gz ZIACYAPFPNNZLT-UHFFFAOYSA-N 1 2 276.380 3.104 20 30 CGEDLO Cc1cn2c(cccc2-c2ccc(F)c(C#N)c2)[nH+]1 ZINC001235894574 819204812 /nfs/dbraw/zinc/20/48/12/819204812.db2.gz ZCHNSGUKGNAVNY-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(OC)c(Cl)c1O ZINC001236805539 819601286 /nfs/dbraw/zinc/60/12/86/819601286.db2.gz AHDYDTNXNSOONT-UHFFFAOYSA-N 1 2 282.771 3.180 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(Cl)c1O ZINC001236805539 819601292 /nfs/dbraw/zinc/60/12/92/819601292.db2.gz AHDYDTNXNSOONT-UHFFFAOYSA-N 1 2 282.771 3.180 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC001236998495 819643940 /nfs/dbraw/zinc/64/39/40/819643940.db2.gz KCZAHZYALUJQPP-UHFFFAOYSA-N 1 2 274.367 3.125 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccncc2C(F)(F)F)CC1 ZINC001237295793 819718766 /nfs/dbraw/zinc/71/87/66/819718766.db2.gz SONPIVPOVJKXHO-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237754042 819838065 /nfs/dbraw/zinc/83/80/65/819838065.db2.gz RQGWWMFWUNPWHH-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)ccc1Cl ZINC001238194393 819953339 /nfs/dbraw/zinc/95/33/39/819953339.db2.gz MKSCOINNUWJQHX-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)ccc1Cl ZINC001238194393 819953344 /nfs/dbraw/zinc/95/33/44/819953344.db2.gz MKSCOINNUWJQHX-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001238480726 820018758 /nfs/dbraw/zinc/01/87/58/820018758.db2.gz NIKFMUAJJMBGEQ-CQSZACIVSA-N 1 2 258.365 3.128 20 30 CGEDLO Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@H](C#N)C1 ZINC001238480726 820018766 /nfs/dbraw/zinc/01/87/66/820018766.db2.gz NIKFMUAJJMBGEQ-CQSZACIVSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(-c2ccncc2)c(C[N@H+](C)CCC#N)c1 ZINC001238655531 820071596 /nfs/dbraw/zinc/07/15/96/820071596.db2.gz HRSOPGZODXAGCG-UHFFFAOYSA-N 1 2 281.359 3.103 20 30 CGEDLO COc1ccc(-c2ccncc2)c(C[N@@H+](C)CCC#N)c1 ZINC001238655531 820071606 /nfs/dbraw/zinc/07/16/06/820071606.db2.gz HRSOPGZODXAGCG-UHFFFAOYSA-N 1 2 281.359 3.103 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cn1 ZINC001238801051 820125561 /nfs/dbraw/zinc/12/55/61/820125561.db2.gz BBAWVQUEVRMQKK-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cn1 ZINC001238801051 820125567 /nfs/dbraw/zinc/12/55/67/820125567.db2.gz BBAWVQUEVRMQKK-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)NCc1cc[nH+]c(N)c1 ZINC001239223042 820235990 /nfs/dbraw/zinc/23/59/90/820235990.db2.gz ZZNAWSWPUAQMDP-ZDUSSCGKSA-N 1 2 292.427 3.212 20 30 CGEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1C(F)(F)F ZINC001240214913 820883525 /nfs/dbraw/zinc/88/35/25/820883525.db2.gz RAAACQJXILYTIT-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#Cc1ccc2nccc(-c3ccc4[nH+]ccn4c3)c2c1 ZINC001240217423 820890306 /nfs/dbraw/zinc/89/03/06/820890306.db2.gz CITHAEYZDBXULH-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO CCOC(=O)c1cc(-c2ccc3[nH+]ccn3c2)ccc1C#N ZINC001240218908 820892470 /nfs/dbraw/zinc/89/24/70/820892470.db2.gz OYFYYJHIINJFBC-UHFFFAOYSA-N 1 2 291.310 3.050 20 30 CGEDLO COc1cc(C#N)ccc1-c1cc(C)c2[nH+]ccn2c1 ZINC001241403915 821800326 /nfs/dbraw/zinc/80/03/26/821800326.db2.gz ZMGGSGBGGDWFRI-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO CCc1ccc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]c1 ZINC001339643498 936381414 /nfs/dbraw/zinc/38/14/14/936381414.db2.gz DRVAVJVXXJVFSB-QGZVFWFLSA-N 1 2 293.370 3.094 20 30 CGEDLO C=CCCC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccccc1 ZINC001340970336 936421732 /nfs/dbraw/zinc/42/17/32/936421732.db2.gz ZLVHMWBXTIVEDV-ZIAGYGMSSA-N 1 2 296.361 3.183 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001349637703 936955321 /nfs/dbraw/zinc/95/53/21/936955321.db2.gz XUPFHZIXSZFFGK-NSHDSACASA-N 1 2 257.362 3.202 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001480322771 937045639 /nfs/dbraw/zinc/04/56/39/937045639.db2.gz IRCSHYJYFJYPSC-ZBFHGGJFSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001480322771 937045642 /nfs/dbraw/zinc/04/56/42/937045642.db2.gz IRCSHYJYFJYPSC-ZBFHGGJFSA-N 1 2 296.842 3.066 20 30 CGEDLO C#CC[N@@H+](Cc1cc(F)ccc1Br)CC1CC1 ZINC001459773781 937499826 /nfs/dbraw/zinc/49/98/26/937499826.db2.gz HUWIGKJDQUMHSG-UHFFFAOYSA-N 1 2 296.183 3.433 20 30 CGEDLO C#CC[N@H+](Cc1cc(F)ccc1Br)CC1CC1 ZINC001459773781 937499828 /nfs/dbraw/zinc/49/98/28/937499828.db2.gz HUWIGKJDQUMHSG-UHFFFAOYSA-N 1 2 296.183 3.433 20 30 CGEDLO C#CCCCNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001162445470 931989019 /nfs/dbraw/zinc/98/90/19/931989019.db2.gz IIDMUDOAGMZHHY-UHFFFAOYSA-N 1 2 278.153 3.151 20 30 CGEDLO C#CCCCNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001162445470 931989015 /nfs/dbraw/zinc/98/90/15/931989015.db2.gz IIDMUDOAGMZHHY-UHFFFAOYSA-N 1 2 278.153 3.151 20 30 CGEDLO C/C(=N\O)c1ccccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001229741795 932477886 /nfs/dbraw/zinc/47/78/86/932477886.db2.gz RZQKGFBNCGWCMC-XMHGGMMESA-N 1 2 296.370 3.148 20 30 CGEDLO C#C[C@@H](CC(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954174 932510513 /nfs/dbraw/zinc/51/05/13/932510513.db2.gz KNVUNKYPZDBFPV-HNNXBMFYSA-N 1 2 254.333 3.299 20 30 CGEDLO C[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)C ZINC001462029608 937613513 /nfs/dbraw/zinc/61/35/13/937613513.db2.gz QUOLYDCRIFZYCV-WMZOPIPTSA-N 1 2 299.462 3.379 20 30 CGEDLO C[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)C ZINC001462029608 937613514 /nfs/dbraw/zinc/61/35/14/937613514.db2.gz QUOLYDCRIFZYCV-WMZOPIPTSA-N 1 2 299.462 3.379 20 30 CGEDLO C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)[C@H](C)S ZINC001231083017 932674268 /nfs/dbraw/zinc/67/42/68/932674268.db2.gz AFZFMTNAXNNKGD-MNOVXSKESA-N 1 2 262.378 3.173 20 30 CGEDLO C#C[C@H]1CCC[C@@H]1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084009 932676185 /nfs/dbraw/zinc/67/61/85/932676185.db2.gz SISFWWNZKXCYLB-GUYCJALGSA-N 1 2 266.344 3.268 20 30 CGEDLO N#CC1(c2ccc(-c3ccn4cc(N)[nH+]c4c3)cc2)CC1 ZINC001243420157 932705117 /nfs/dbraw/zinc/70/51/17/932705117.db2.gz JZFIGTBIODCPPY-UHFFFAOYSA-N 1 2 274.327 3.139 20 30 CGEDLO CC[C@](C)([NH2+]Cc1cc(C#N)ccn1)c1nc(C)cs1 ZINC001307561911 932969871 /nfs/dbraw/zinc/96/98/71/932969871.db2.gz NNLBRHCSMRKZJA-HNNXBMFYSA-N 1 2 286.404 3.133 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001307617769 932977038 /nfs/dbraw/zinc/97/70/38/932977038.db2.gz GBNLAYKEOJAKOT-MEDUHNTESA-N 1 2 289.329 3.449 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001307818167 933005695 /nfs/dbraw/zinc/00/56/95/933005695.db2.gz CFNJFPIIVVWKKB-YPMHNXCESA-N 1 2 279.405 3.249 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001307818167 933005700 /nfs/dbraw/zinc/00/57/00/933005700.db2.gz CFNJFPIIVVWKKB-YPMHNXCESA-N 1 2 279.405 3.249 20 30 CGEDLO Oc1cccc2c1CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001307981136 933029006 /nfs/dbraw/zinc/02/90/06/933029006.db2.gz RXEKUCZBMXTWQZ-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO Oc1cccc2c1CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC001307981136 933029008 /nfs/dbraw/zinc/02/90/08/933029008.db2.gz RXEKUCZBMXTWQZ-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2noc3ccc(F)cc32)c(F)c1 ZINC001308493863 933119726 /nfs/dbraw/zinc/11/97/26/933119726.db2.gz AWIVCZSIHMYGCL-UHFFFAOYSA-N 1 2 299.280 3.267 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1c(Cl)ncn1CC ZINC001308726362 933165466 /nfs/dbraw/zinc/16/54/66/933165466.db2.gz FUMZQDHLJCWTNK-LLVKDONJSA-N 1 2 253.777 3.097 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1c(Cl)ncn1CC ZINC001308726362 933165467 /nfs/dbraw/zinc/16/54/67/933165467.db2.gz FUMZQDHLJCWTNK-LLVKDONJSA-N 1 2 253.777 3.097 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C(=O)OC ZINC001308902559 933199503 /nfs/dbraw/zinc/19/95/03/933199503.db2.gz RCGARSSKUPOJMN-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1nccc2ccccc21 ZINC001308958132 933213475 /nfs/dbraw/zinc/21/34/75/933213475.db2.gz JIJMPKIWWACTFU-NSHDSACASA-N 1 2 294.383 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001316980179 933506795 /nfs/dbraw/zinc/50/67/95/933506795.db2.gz LIQZAFNVKFUVKU-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001316980179 933506791 /nfs/dbraw/zinc/50/67/91/933506791.db2.gz LIQZAFNVKFUVKU-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO CN(C)c1cccc(Cl)c1C[NH2+]CC(C)(C)C#N ZINC001320264959 934024172 /nfs/dbraw/zinc/02/41/72/934024172.db2.gz ZLKWZUQXQBCADB-UHFFFAOYSA-N 1 2 265.788 3.045 20 30 CGEDLO CCCCCCCCC(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001470906891 937759510 /nfs/dbraw/zinc/75/95/10/937759510.db2.gz LVCAAYCXADFXKC-UHFFFAOYSA-N 1 2 289.423 3.299 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001473271877 937799767 /nfs/dbraw/zinc/79/97/67/937799767.db2.gz CWFYVKLAXHRSGG-UBHSHLNASA-N 1 2 264.319 3.269 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001473271877 937799768 /nfs/dbraw/zinc/79/97/68/937799768.db2.gz CWFYVKLAXHRSGG-UBHSHLNASA-N 1 2 264.319 3.269 20 30 CGEDLO C=C[C@@H](COC)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC001328814987 935170723 /nfs/dbraw/zinc/17/07/23/935170723.db2.gz IHJQMASLRAWISS-GWCFXTLKSA-N 1 2 269.772 3.287 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cccc(F)c1 ZINC001328935229 935175204 /nfs/dbraw/zinc/17/52/04/935175204.db2.gz NSHFUSSMOBHAGG-HJWRWDBZSA-N 1 2 270.307 3.183 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)C2CCC2)C1 ZINC001330033025 935262239 /nfs/dbraw/zinc/26/22/39/935262239.db2.gz YFEVTHAQZWJOLZ-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cn2ccnc2s1 ZINC001333642038 935554946 /nfs/dbraw/zinc/55/49/46/935554946.db2.gz WBEFNHGMNAGWBY-UHFFFAOYSA-N 1 2 276.409 3.158 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cn2ccnc2s1 ZINC001333642038 935554954 /nfs/dbraw/zinc/55/49/54/935554954.db2.gz WBEFNHGMNAGWBY-UHFFFAOYSA-N 1 2 276.409 3.158 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC001333826606 936068820 /nfs/dbraw/zinc/06/88/20/936068820.db2.gz TYJFPQQLPVSCGS-JTQLQIEISA-N 1 2 276.767 3.229 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccco2)n1)CC1CC1 ZINC001335588663 936154452 /nfs/dbraw/zinc/15/44/52/936154452.db2.gz LCZOOPKRMDRCDR-UHFFFAOYSA-N 1 2 272.373 3.248 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccco2)n1)CC1CC1 ZINC001335588663 936154455 /nfs/dbraw/zinc/15/44/55/936154455.db2.gz LCZOOPKRMDRCDR-UHFFFAOYSA-N 1 2 272.373 3.248 20 30 CGEDLO C#CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)CC1CC1 ZINC001335589504 936154863 /nfs/dbraw/zinc/15/48/63/936154863.db2.gz OYZHEZRMDUPDLE-UHFFFAOYSA-N 1 2 280.371 3.004 20 30 CGEDLO C#CC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)CC1CC1 ZINC001335589504 936154865 /nfs/dbraw/zinc/15/48/65/936154865.db2.gz OYZHEZRMDUPDLE-UHFFFAOYSA-N 1 2 280.371 3.004 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C)c(Br)s1)CC1CC1 ZINC001336659692 936203108 /nfs/dbraw/zinc/20/31/08/936203108.db2.gz UQRNFYHIEJXXDN-UHFFFAOYSA-N 1 2 299.237 3.059 20 30 CGEDLO C#CC[N@H+](Cc1nc(C)c(Br)s1)CC1CC1 ZINC001336659692 936203110 /nfs/dbraw/zinc/20/31/10/936203110.db2.gz UQRNFYHIEJXXDN-UHFFFAOYSA-N 1 2 299.237 3.059 20 30 CGEDLO C=C(C)CCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001337250125 936245870 /nfs/dbraw/zinc/24/58/70/936245870.db2.gz KPGUPXUTLQOUDN-MRXNPFEDSA-N 1 2 297.402 3.176 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@]1(C)CC=CCC1)C1CC1 ZINC001493372401 937949999 /nfs/dbraw/zinc/94/99/99/937949999.db2.gz MVNHORVHNNCATF-INIZCTEOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@]1(C)CC=CCC1)C1CC1 ZINC001493372401 937950000 /nfs/dbraw/zinc/95/00/00/937950000.db2.gz MVNHORVHNNCATF-INIZCTEOSA-N 1 2 296.842 3.066 20 30 CGEDLO N#Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1Cl ZINC001524618739 938044220 /nfs/dbraw/zinc/04/42/20/938044220.db2.gz ACWBDIJKMARZJD-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO N#Cc1cccc(SCCn2cc[nH+]c2)c1Cl ZINC001559469896 938227056 /nfs/dbraw/zinc/22/70/56/938227056.db2.gz CNPCGXQMJUMPHK-UHFFFAOYSA-N 1 2 263.753 3.200 20 30 CGEDLO CCC#C[C@H](C)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC001559659125 938231991 /nfs/dbraw/zinc/23/19/91/938231991.db2.gz AXRAISLAZLEMGS-ZDUSSCGKSA-N 1 2 294.801 3.403 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cccc(F)c1F ZINC001559702753 938233143 /nfs/dbraw/zinc/23/31/43/938233143.db2.gz AIFMVTPLJZIIRW-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(F)cc1 ZINC001560853177 938279785 /nfs/dbraw/zinc/27/97/85/938279785.db2.gz SPBUQLNYYNLSJY-AWEZNQCLSA-N 1 2 291.272 3.274 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001567875374 961453168 /nfs/dbraw/zinc/45/31/68/961453168.db2.gz JSWZQBUFNIKALU-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001567875374 961453181 /nfs/dbraw/zinc/45/31/81/961453181.db2.gz JSWZQBUFNIKALU-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(CC)CC)C(C)(C)C1 ZINC001570888689 962101400 /nfs/dbraw/zinc/10/14/00/962101400.db2.gz IXMPJGGBLWSITM-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(CC)CC)C(C)(C)C1 ZINC001570888689 962101409 /nfs/dbraw/zinc/10/14/09/962101409.db2.gz IXMPJGGBLWSITM-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nccnc1C)c1ccc(F)c(F)c1 ZINC000621345639 349503253 /nfs/dbraw/zinc/50/32/53/349503253.db2.gz RTQNHYAHVJZYLV-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1nccnc1C ZINC000621709704 349558494 /nfs/dbraw/zinc/55/84/94/349558494.db2.gz ATKUSEMJNPCUBR-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1nccnc1C ZINC000621709704 349558497 /nfs/dbraw/zinc/55/84/97/349558497.db2.gz ATKUSEMJNPCUBR-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1nccc2ccccc21 ZINC000590050690 346823933 /nfs/dbraw/zinc/82/39/33/346823933.db2.gz FPDMCWOAHBYLAT-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1nccc2ccccc21 ZINC000590050690 346823937 /nfs/dbraw/zinc/82/39/37/346823937.db2.gz FPDMCWOAHBYLAT-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000127834285 187335302 /nfs/dbraw/zinc/33/53/02/187335302.db2.gz CMQAJAFEEZHUOU-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000127834285 187335303 /nfs/dbraw/zinc/33/53/03/187335303.db2.gz CMQAJAFEEZHUOU-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591348835 346916917 /nfs/dbraw/zinc/91/69/17/346916917.db2.gz HLZVNBXTHNWQJC-PIGZYNQJSA-N 1 2 280.375 3.318 20 30 CGEDLO N#Cc1cnccc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000592058214 346958590 /nfs/dbraw/zinc/95/85/90/346958590.db2.gz CNJZTEZFATYDGY-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000592058214 346958592 /nfs/dbraw/zinc/95/85/92/346958592.db2.gz CNJZTEZFATYDGY-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO Cc1ccccc1C1([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000592139425 346966096 /nfs/dbraw/zinc/96/60/96/346966096.db2.gz FYQOVHRWAQFFNP-UHFFFAOYSA-N 1 2 269.373 3.102 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000593036772 347030159 /nfs/dbraw/zinc/03/01/59/347030159.db2.gz SZBFJHPGPNMPPI-AWEZNQCLSA-N 1 2 294.402 3.284 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000593036772 347030162 /nfs/dbraw/zinc/03/01/62/347030162.db2.gz SZBFJHPGPNMPPI-AWEZNQCLSA-N 1 2 294.402 3.284 20 30 CGEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000593047020 347031798 /nfs/dbraw/zinc/03/17/98/347031798.db2.gz VRDCCPNSECVOEP-YOEHRIQHSA-N 1 2 285.366 3.233 20 30 CGEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000593047020 347031802 /nfs/dbraw/zinc/03/18/02/347031802.db2.gz VRDCCPNSECVOEP-YOEHRIQHSA-N 1 2 285.366 3.233 20 30 CGEDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122384 347042940 /nfs/dbraw/zinc/04/29/40/347042940.db2.gz QINGSTSVSARHBW-RDTXWAMCSA-N 1 2 284.403 3.469 20 30 CGEDLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122384 347042942 /nfs/dbraw/zinc/04/29/42/347042942.db2.gz QINGSTSVSARHBW-RDTXWAMCSA-N 1 2 284.403 3.469 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(F)c(C#N)c1 ZINC000153807356 530023769 /nfs/dbraw/zinc/02/37/69/530023769.db2.gz XMAWIWFGWUHECV-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(F)c(C#N)c1 ZINC000153807356 530023771 /nfs/dbraw/zinc/02/37/71/530023771.db2.gz XMAWIWFGWUHECV-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102393 345143522 /nfs/dbraw/zinc/14/35/22/345143522.db2.gz QWXKCYGMMAFKES-UHFFFAOYSA-N 1 2 263.768 3.334 20 30 CGEDLO C=CCc1cc(CNc2cccc[nH+]2)cc(OC)c1OC ZINC000065233432 345269728 /nfs/dbraw/zinc/26/97/28/345269728.db2.gz HPYMDOZFOGBBJH-UHFFFAOYSA-N 1 2 284.359 3.439 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)C[C@H](C#N)CCC#N ZINC000075673213 345518025 /nfs/dbraw/zinc/51/80/25/345518025.db2.gz XEWHAFXMSBVWID-INIZCTEOSA-N 1 2 253.349 3.118 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)C[C@H](C#N)CCC#N ZINC000075673213 345518027 /nfs/dbraw/zinc/51/80/27/345518027.db2.gz XEWHAFXMSBVWID-INIZCTEOSA-N 1 2 253.349 3.118 20 30 CGEDLO CCc1ccc2c(C[N@H+](CC)CCC#N)cc(=O)oc2c1 ZINC000081039575 345696629 /nfs/dbraw/zinc/69/66/29/345696629.db2.gz NNNDNPHKEVTLPS-UHFFFAOYSA-N 1 2 284.359 3.091 20 30 CGEDLO CCc1ccc2c(C[N@@H+](CC)CCC#N)cc(=O)oc2c1 ZINC000081039575 345696633 /nfs/dbraw/zinc/69/66/33/345696633.db2.gz NNNDNPHKEVTLPS-UHFFFAOYSA-N 1 2 284.359 3.091 20 30 CGEDLO C[C@@H]1CCCC[C@H]1OCC[N@H+](CC#N)C1CCCC1 ZINC000156619147 346159536 /nfs/dbraw/zinc/15/95/36/346159536.db2.gz SZWIRKHCRKRKON-GDBMZVCRSA-N 1 2 264.413 3.350 20 30 CGEDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+](CC#N)C1CCCC1 ZINC000156619147 346159539 /nfs/dbraw/zinc/15/95/39/346159539.db2.gz SZWIRKHCRKRKON-GDBMZVCRSA-N 1 2 264.413 3.350 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000624037407 349952504 /nfs/dbraw/zinc/95/25/04/349952504.db2.gz ZSLNMLJWDFXSRI-HNNXBMFYSA-N 1 2 288.370 3.225 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000624037407 349952506 /nfs/dbraw/zinc/95/25/06/349952506.db2.gz ZSLNMLJWDFXSRI-HNNXBMFYSA-N 1 2 288.370 3.225 20 30 CGEDLO C=C(C)COCCNc1[nH+]ccc(C)c1Br ZINC000232481400 346326100 /nfs/dbraw/zinc/32/61/00/346326100.db2.gz BUNNNXKPICBDLX-UHFFFAOYSA-N 1 2 285.185 3.157 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1csc(Br)c1 ZINC000309553586 346469476 /nfs/dbraw/zinc/46/94/76/346469476.db2.gz LJKFVBUUUKTYTC-SECBINFHSA-N 1 2 298.209 3.044 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(F)c2F)CCCC1 ZINC000593652731 347099515 /nfs/dbraw/zinc/09/95/15/347099515.db2.gz IYHRXTOZKIHJRT-UHFFFAOYSA-N 1 2 250.292 3.138 20 30 CGEDLO Cc1c[nH+]c(CCNc2cccc(F)c2C#N)c(C)c1 ZINC000401126961 346592203 /nfs/dbraw/zinc/59/22/03/346592203.db2.gz UUHSANDEABSGGF-UHFFFAOYSA-N 1 2 269.323 3.364 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000404908885 346601477 /nfs/dbraw/zinc/60/14/77/346601477.db2.gz SUTKHKOLIIRJAT-UHFFFAOYSA-N 1 2 280.293 3.319 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3ccc(F)cc3)CCC2)n1 ZINC000589311599 346793573 /nfs/dbraw/zinc/79/35/73/346793573.db2.gz OHSFVAKKYYQMLF-UHFFFAOYSA-N 1 2 287.363 3.323 20 30 CGEDLO Cc1c[nH+]c(CCNc2nc(C)cc(C)c2C#N)c(C)c1 ZINC000594594954 347198610 /nfs/dbraw/zinc/19/86/10/347198610.db2.gz CZRSTXDHSNHQCS-UHFFFAOYSA-N 1 2 280.375 3.237 20 30 CGEDLO CCc1ncc(C[N@@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000594611021 347203059 /nfs/dbraw/zinc/20/30/59/347203059.db2.gz JCEUIQAMWQDKMS-UHFFFAOYSA-N 1 2 269.373 3.093 20 30 CGEDLO CCc1ncc(C[N@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000594611021 347203063 /nfs/dbraw/zinc/20/30/63/347203063.db2.gz JCEUIQAMWQDKMS-UHFFFAOYSA-N 1 2 269.373 3.093 20 30 CGEDLO COc1cccc(SCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000595345225 347295170 /nfs/dbraw/zinc/29/51/70/347295170.db2.gz RBZVRTCQVKOPNM-GFCCVEGCSA-N 1 2 264.394 3.021 20 30 CGEDLO COc1cccc(SCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000595345225 347295171 /nfs/dbraw/zinc/29/51/71/347295171.db2.gz RBZVRTCQVKOPNM-GFCCVEGCSA-N 1 2 264.394 3.021 20 30 CGEDLO CC[N@H+](CCCOc1ccc(Cl)cc1)[C@H](C)C#N ZINC000595811963 347358170 /nfs/dbraw/zinc/35/81/70/347358170.db2.gz IOPKZWXBXNBULT-GFCCVEGCSA-N 1 2 266.772 3.343 20 30 CGEDLO CC[N@@H+](CCCOc1ccc(Cl)cc1)[C@H](C)C#N ZINC000595811963 347358172 /nfs/dbraw/zinc/35/81/72/347358172.db2.gz IOPKZWXBXNBULT-GFCCVEGCSA-N 1 2 266.772 3.343 20 30 CGEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612618 347327448 /nfs/dbraw/zinc/32/74/48/347327448.db2.gz YNZSLQLIMRHVOZ-OAHLLOKOSA-N 1 2 299.418 3.122 20 30 CGEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612618 347327454 /nfs/dbraw/zinc/32/74/54/347327454.db2.gz YNZSLQLIMRHVOZ-OAHLLOKOSA-N 1 2 299.418 3.122 20 30 CGEDLO N#CCCOCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000595656891 347334527 /nfs/dbraw/zinc/33/45/27/347334527.db2.gz HFNAPYLQIPTIFB-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO N#CCCOCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000595656891 347334528 /nfs/dbraw/zinc/33/45/28/347334528.db2.gz HFNAPYLQIPTIFB-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000595680492 347336267 /nfs/dbraw/zinc/33/62/67/347336267.db2.gz HUTXGJLVFQQLFP-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000595680492 347336269 /nfs/dbraw/zinc/33/62/69/347336269.db2.gz HUTXGJLVFQQLFP-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO CC[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@H](C)C#N ZINC000595818306 347359576 /nfs/dbraw/zinc/35/95/76/347359576.db2.gz UNJHANBEYMXJHC-CQSZACIVSA-N 1 2 295.386 3.402 20 30 CGEDLO CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H](C)C#N ZINC000595818306 347359579 /nfs/dbraw/zinc/35/95/79/347359579.db2.gz UNJHANBEYMXJHC-CQSZACIVSA-N 1 2 295.386 3.402 20 30 CGEDLO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(C)o1 ZINC000595563546 347319856 /nfs/dbraw/zinc/31/98/56/347319856.db2.gz VQOYIEZCDCJVHM-UHFFFAOYSA-N 1 2 281.359 3.332 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909752 347371764 /nfs/dbraw/zinc/37/17/64/347371764.db2.gz NIDQWSUUOITMPZ-KURKYZTESA-N 1 2 282.387 3.144 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909752 347371766 /nfs/dbraw/zinc/37/17/66/347371766.db2.gz NIDQWSUUOITMPZ-KURKYZTESA-N 1 2 282.387 3.144 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cc(C#N)cnn1 ZINC000596053348 347377499 /nfs/dbraw/zinc/37/74/99/347377499.db2.gz FAZFZVANHGAQKE-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000597194683 347548525 /nfs/dbraw/zinc/54/85/25/347548525.db2.gz XHFKHJPMIGJNGK-UHFFFAOYSA-N 1 2 281.334 3.233 20 30 CGEDLO Cc1cc(C[NH+]2CC(CC#N)C2)ccc1Br ZINC000597194703 347548733 /nfs/dbraw/zinc/54/87/33/347548733.db2.gz XZWWIYANYJOMMR-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)s2)nc2ccccc12 ZINC000537295786 288522715 /nfs/dbraw/zinc/52/27/15/288522715.db2.gz OQGUZYYYNWOQNU-UHFFFAOYSA-N 1 2 294.383 3.161 20 30 CGEDLO Cc1ccc(-c2ccc(N3CCSCC3)[nH+]c2)c(C#N)c1 ZINC000600775409 347833640 /nfs/dbraw/zinc/83/36/40/347833640.db2.gz IBPGPHKGVTZVQX-UHFFFAOYSA-N 1 2 295.411 3.482 20 30 CGEDLO N#Cc1cc(F)cc(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000601139325 347873590 /nfs/dbraw/zinc/87/35/90/347873590.db2.gz ASBPVNDLDSRXQR-HNNXBMFYSA-N 1 2 281.334 3.452 20 30 CGEDLO N#Cc1c(F)cccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000602011290 347932796 /nfs/dbraw/zinc/93/27/96/347932796.db2.gz JMSLNKNDPRMVRS-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO CC(C)C[C@H](C(=O)Nc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000602037409 347934619 /nfs/dbraw/zinc/93/46/19/347934619.db2.gz AMFRLGXBOOAILY-MRXNPFEDSA-N 1 2 296.374 3.175 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)no1 ZINC000602450407 347960289 /nfs/dbraw/zinc/96/02/89/347960289.db2.gz VJNRZFWCHZXWGX-OLZOCXBDSA-N 1 2 276.384 3.099 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000602450407 347960290 /nfs/dbraw/zinc/96/02/90/347960290.db2.gz VJNRZFWCHZXWGX-OLZOCXBDSA-N 1 2 276.384 3.099 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000602486358 347967830 /nfs/dbraw/zinc/96/78/30/347967830.db2.gz YUAPDYLHNGALTN-CYBMUJFWSA-N 1 2 254.337 3.224 20 30 CGEDLO C=CC[N@@H+](CCC#N)CC(C)(C)Oc1ccccc1 ZINC000602670512 348004867 /nfs/dbraw/zinc/00/48/67/348004867.db2.gz FEXWAILHGIJMQR-UHFFFAOYSA-N 1 2 258.365 3.246 20 30 CGEDLO C=CC[N@H+](CCC#N)CC(C)(C)Oc1ccccc1 ZINC000602670512 348004868 /nfs/dbraw/zinc/00/48/68/348004868.db2.gz FEXWAILHGIJMQR-UHFFFAOYSA-N 1 2 258.365 3.246 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)[C@@H](C)CC#N ZINC000602788831 348029707 /nfs/dbraw/zinc/02/97/07/348029707.db2.gz RTTBXTCGHLTWDT-LBPRGKRZSA-N 1 2 269.348 3.384 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)[C@@H](C)CC#N ZINC000602788831 348029710 /nfs/dbraw/zinc/02/97/10/348029710.db2.gz RTTBXTCGHLTWDT-LBPRGKRZSA-N 1 2 269.348 3.384 20 30 CGEDLO CC[N@H+](Cc1c(F)cccc1F)CC1(CC#N)CC1 ZINC000602770938 348026682 /nfs/dbraw/zinc/02/66/82/348026682.db2.gz AEQFGADPLLPNKZ-UHFFFAOYSA-N 1 2 264.319 3.481 20 30 CGEDLO CC[N@@H+](Cc1c(F)cccc1F)CC1(CC#N)CC1 ZINC000602770938 348026684 /nfs/dbraw/zinc/02/66/84/348026684.db2.gz AEQFGADPLLPNKZ-UHFFFAOYSA-N 1 2 264.319 3.481 20 30 CGEDLO COc1ccc(-c2nc(C[NH2+][C@H](C)CC#N)cs2)cc1 ZINC000610395656 348380580 /nfs/dbraw/zinc/38/05/80/348380580.db2.gz INGFKNOELQVGDM-LLVKDONJSA-N 1 2 287.388 3.210 20 30 CGEDLO Cc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000610674934 348395485 /nfs/dbraw/zinc/39/54/85/348395485.db2.gz XBZPFOFLYBWKSC-GFCCVEGCSA-N 1 2 294.358 3.453 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614479963 348679453 /nfs/dbraw/zinc/67/94/53/348679453.db2.gz TWARZAIVOLRBOL-CQSZACIVSA-N 1 2 295.386 3.272 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614479963 348679455 /nfs/dbraw/zinc/67/94/55/348679455.db2.gz TWARZAIVOLRBOL-CQSZACIVSA-N 1 2 295.386 3.272 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000614800252 348694846 /nfs/dbraw/zinc/69/48/46/348694846.db2.gz YVDLMQXVKRQONF-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO Cc1c2c(nc(SCCCn3cc[nH+]c3)c1C#N)CCC2 ZINC000273481355 192168471 /nfs/dbraw/zinc/16/84/71/192168471.db2.gz QPLAXZCGQMREAT-UHFFFAOYSA-N 1 2 298.415 3.129 20 30 CGEDLO C=C[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C(=O)OC ZINC000619703993 349277066 /nfs/dbraw/zinc/27/70/66/349277066.db2.gz WENMGARLWFILCX-PQUAAJSLSA-N 1 2 287.403 3.204 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C(=O)OC ZINC000619703490 349277152 /nfs/dbraw/zinc/27/71/52/349277152.db2.gz MARSHIAKUUDBNL-JYJNAYRXSA-N 1 2 273.376 3.030 20 30 CGEDLO C=C[C@H]([NH2+]CC1(c2ccc(C)c(C)c2)CCC1)C(=O)OC ZINC000619704504 349277372 /nfs/dbraw/zinc/27/73/72/349277372.db2.gz OIOIILVVNAAERX-INIZCTEOSA-N 1 2 287.403 3.042 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C2CCC2)n1 ZINC000625558302 350184213 /nfs/dbraw/zinc/18/42/13/350184213.db2.gz OPXSEPJJOMOCCQ-BETUJISGSA-N 1 2 259.353 3.020 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C2CCC2)n1 ZINC000625558302 350184214 /nfs/dbraw/zinc/18/42/14/350184214.db2.gz OPXSEPJJOMOCCQ-BETUJISGSA-N 1 2 259.353 3.020 20 30 CGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1[nH]cc(C)[nH+]1 ZINC000628273526 350473159 /nfs/dbraw/zinc/47/31/59/350473159.db2.gz XNQWMNHWBDNTEZ-UHFFFAOYSA-N 1 2 287.411 3.074 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633646763 351339058 /nfs/dbraw/zinc/33/90/58/351339058.db2.gz MHYGGZKQTCGYIQ-IYBDPMFKSA-N 1 2 293.370 3.400 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(CC(C)C)no1)c1ccccc1 ZINC000271688581 191277194 /nfs/dbraw/zinc/27/71/94/191277194.db2.gz JUSUOWUPXKUJJS-HNNXBMFYSA-N 1 2 283.375 3.122 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000158127515 188358958 /nfs/dbraw/zinc/35/89/58/188358958.db2.gz QZEYHCCOMCUEBA-UHFFFAOYSA-N 1 2 284.388 3.227 20 30 CGEDLO Cc1csc(C(C)(C)[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC000173425311 188854293 /nfs/dbraw/zinc/85/42/93/188854293.db2.gz CZMBWVGZIZGHQI-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338395 138345367 /nfs/dbraw/zinc/34/53/67/138345367.db2.gz ISPOCLVOPWAHNO-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000093338395 138345371 /nfs/dbraw/zinc/34/53/71/138345371.db2.gz ISPOCLVOPWAHNO-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093478396 138346958 /nfs/dbraw/zinc/34/69/58/138346958.db2.gz OGGKGLCMRBVPNE-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093478396 138346959 /nfs/dbraw/zinc/34/69/59/138346959.db2.gz OGGKGLCMRBVPNE-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO CCN(CC)c1ccc(NCc2cc(C#N)cs2)c[nH+]1 ZINC000093686238 138347924 /nfs/dbraw/zinc/34/79/24/138347924.db2.gz OBBLKIFRBLIFLU-UHFFFAOYSA-N 1 2 286.404 3.473 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000125684092 138384090 /nfs/dbraw/zinc/38/40/90/138384090.db2.gz DJWNOBNDZNKHMG-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000125684092 138384091 /nfs/dbraw/zinc/38/40/91/138384091.db2.gz DJWNOBNDZNKHMG-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1cc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c(C#N)c[nH+]1 ZINC000425265653 236224390 /nfs/dbraw/zinc/22/43/90/236224390.db2.gz FEQCWIDWGLRRKI-VWNJHIHFSA-N 1 2 267.376 3.134 20 30 CGEDLO Cc1cc(N[C@H]2C[C@H](c3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425259918 236224762 /nfs/dbraw/zinc/22/47/62/236224762.db2.gz NAWCZNBYSWMUJZ-SAZUREKKSA-N 1 2 281.334 3.181 20 30 CGEDLO N#Cc1c(F)cccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000427571836 236335128 /nfs/dbraw/zinc/33/51/28/236335128.db2.gz XSOOVBPABYZARU-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO Cc1cccc(C[N@@H+](C)Cc2cccc(F)c2C#N)n1 ZINC000428374981 236399332 /nfs/dbraw/zinc/39/93/32/236399332.db2.gz BVIYZGPICBREMG-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cccc(C[N@H+](C)Cc2cccc(F)c2C#N)n1 ZINC000428374981 236399334 /nfs/dbraw/zinc/39/93/34/236399334.db2.gz BVIYZGPICBREMG-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000336167994 212984906 /nfs/dbraw/zinc/98/49/06/212984906.db2.gz BZOBGSGHUPHTAD-UHFFFAOYSA-N 1 2 291.354 3.240 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000177025753 189022035 /nfs/dbraw/zinc/02/20/35/189022035.db2.gz NHTXAKYWMHOJIC-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000177025753 189022036 /nfs/dbraw/zinc/02/20/36/189022036.db2.gz NHTXAKYWMHOJIC-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000178792871 189146182 /nfs/dbraw/zinc/14/61/82/189146182.db2.gz IUAUCENXTCAMJD-OAHLLOKOSA-N 1 2 288.322 3.076 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOCC23CCCCC3)c1F ZINC000451818337 240365378 /nfs/dbraw/zinc/36/53/78/240365378.db2.gz WWOBRENZAKYQBZ-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOCC23CCCCC3)c1F ZINC000451818337 240365381 /nfs/dbraw/zinc/36/53/81/240365381.db2.gz WWOBRENZAKYQBZ-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000179428993 189193551 /nfs/dbraw/zinc/19/35/51/189193551.db2.gz IPWBRJCGZBZJTF-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179428993 189193552 /nfs/dbraw/zinc/19/35/52/189193552.db2.gz IPWBRJCGZBZJTF-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000120511891 370776115 /nfs/dbraw/zinc/77/61/15/370776115.db2.gz QEXMMBZYLUCTEB-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000120511891 370776120 /nfs/dbraw/zinc/77/61/20/370776120.db2.gz QEXMMBZYLUCTEB-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000452040129 240399460 /nfs/dbraw/zinc/39/94/60/240399460.db2.gz PSKMSDBTVYABLB-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000452040129 240399462 /nfs/dbraw/zinc/39/94/62/240399462.db2.gz PSKMSDBTVYABLB-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(F)ccc1Br ZINC000121330798 370852267 /nfs/dbraw/zinc/85/22/67/370852267.db2.gz DVEACBGARCAKLW-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(F)ccc1Br ZINC000121330798 370852271 /nfs/dbraw/zinc/85/22/71/370852271.db2.gz DVEACBGARCAKLW-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000042454438 369222772 /nfs/dbraw/zinc/22/27/72/369222772.db2.gz YTKAFYSUOGVQPV-UHFFFAOYSA-N 1 2 256.271 3.441 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000042454438 369222775 /nfs/dbraw/zinc/22/27/75/369222775.db2.gz YTKAFYSUOGVQPV-UHFFFAOYSA-N 1 2 256.271 3.441 20 30 CGEDLO C#CC[N@@H+](Cn1cccnc1=S)[C@@H]1CCc2ccccc21 ZINC000054516479 369503704 /nfs/dbraw/zinc/50/37/04/369503704.db2.gz QQTXMQDCBDCXSA-MRXNPFEDSA-N 1 2 295.411 3.193 20 30 CGEDLO C#CC[N@H+](Cn1cccnc1=S)[C@@H]1CCc2ccccc21 ZINC000054516479 369503709 /nfs/dbraw/zinc/50/37/09/369503709.db2.gz QQTXMQDCBDCXSA-MRXNPFEDSA-N 1 2 295.411 3.193 20 30 CGEDLO N#CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000061040320 369596017 /nfs/dbraw/zinc/59/60/17/369596017.db2.gz HBUWCMZZTRSPRO-UHFFFAOYSA-N 1 2 273.361 3.139 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H](C)C#N ZINC000091982481 370083990 /nfs/dbraw/zinc/08/39/90/370083990.db2.gz RQWUKOHBXFMSHF-SNVBAGLBSA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H](C)C#N ZINC000091982481 370083995 /nfs/dbraw/zinc/08/39/95/370083995.db2.gz RQWUKOHBXFMSHF-SNVBAGLBSA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@@H+](Cc1cccc2c1OC(C)(C)C2)C[C@@H](C)C#N ZINC000091983014 370086115 /nfs/dbraw/zinc/08/61/15/370086115.db2.gz PGKWBQVBXKYQNE-ZDUSSCGKSA-N 1 2 272.392 3.382 20 30 CGEDLO CC[N@H+](Cc1cccc2c1OC(C)(C)C2)C[C@@H](C)C#N ZINC000091983014 370086120 /nfs/dbraw/zinc/08/61/20/370086120.db2.gz PGKWBQVBXKYQNE-ZDUSSCGKSA-N 1 2 272.392 3.382 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(OC)c1 ZINC000093101074 370109954 /nfs/dbraw/zinc/10/99/54/370109954.db2.gz JQAFIHYGNUSSEV-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(OC)c1 ZINC000093101074 370109958 /nfs/dbraw/zinc/10/99/58/370109958.db2.gz JQAFIHYGNUSSEV-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000093101146 370110045 /nfs/dbraw/zinc/11/00/45/370110045.db2.gz KRIMCYWLYFUWQQ-UHFFFAOYSA-N 1 2 274.364 3.177 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000093101146 370110051 /nfs/dbraw/zinc/11/00/51/370110051.db2.gz KRIMCYWLYFUWQQ-UHFFFAOYSA-N 1 2 274.364 3.177 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000111617877 370401374 /nfs/dbraw/zinc/40/13/74/370401374.db2.gz NQCLKZNSXWNPAV-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000111617877 370401376 /nfs/dbraw/zinc/40/13/76/370401376.db2.gz NQCLKZNSXWNPAV-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO CC[C@](C)(C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112632948 370438784 /nfs/dbraw/zinc/43/87/84/370438784.db2.gz VRABCRSVRVJVKA-QGZVFWFLSA-N 1 2 295.342 3.296 20 30 CGEDLO C=CC[N@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000129716025 370998113 /nfs/dbraw/zinc/99/81/13/370998113.db2.gz ULFKCGNGJXPPNW-UHFFFAOYSA-N 1 2 283.331 3.178 20 30 CGEDLO C=CC[N@@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000129716025 370998119 /nfs/dbraw/zinc/99/81/19/370998119.db2.gz ULFKCGNGJXPPNW-UHFFFAOYSA-N 1 2 283.331 3.178 20 30 CGEDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135151530 371395654 /nfs/dbraw/zinc/39/56/54/371395654.db2.gz LUZJKEKJLJPYDE-SNVBAGLBSA-N 1 2 274.295 3.150 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1nc(Cl)c(C#N)s1 ZINC000286517671 371514223 /nfs/dbraw/zinc/51/42/23/371514223.db2.gz OBIYMJBQSXVXNW-UHFFFAOYSA-N 1 2 278.768 3.026 20 30 CGEDLO C=CCC[N@@H+](C)Cc1nc2ccccn2c1Br ZINC000289579911 371765376 /nfs/dbraw/zinc/76/53/76/371765376.db2.gz HWJQHXAKYXFYAM-UHFFFAOYSA-N 1 2 294.196 3.105 20 30 CGEDLO C=CCC[N@H+](C)Cc1nc2ccccn2c1Br ZINC000289579911 371765382 /nfs/dbraw/zinc/76/53/82/371765382.db2.gz HWJQHXAKYXFYAM-UHFFFAOYSA-N 1 2 294.196 3.105 20 30 CGEDLO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000344069018 217034301 /nfs/dbraw/zinc/03/43/01/217034301.db2.gz KRKWKMYWKJEAQK-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000344069018 217034303 /nfs/dbraw/zinc/03/43/03/217034303.db2.gz KRKWKMYWKJEAQK-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO Cc1ccn2c(CN(CCC#N)Cc3ccco3)c[nH+]c2c1 ZINC000159577660 372157608 /nfs/dbraw/zinc/15/76/08/372157608.db2.gz GLQICILZAUTFMI-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO C=CCC(C)(C)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000291946822 372177578 /nfs/dbraw/zinc/17/75/78/372177578.db2.gz QLRAHHSQYIEMSU-UHFFFAOYSA-N 1 2 295.346 3.171 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@@H]1[C@H]1CCCO1 ZINC000428997221 372300398 /nfs/dbraw/zinc/30/03/98/372300398.db2.gz SUEMQNFFZPXAAC-HZPDHXFCSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1[C@H]1CCCO1 ZINC000428997221 372300403 /nfs/dbraw/zinc/30/04/03/372300403.db2.gz SUEMQNFFZPXAAC-HZPDHXFCSA-N 1 2 288.366 3.087 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3sccc3C2)ccc1F ZINC000160634060 372264528 /nfs/dbraw/zinc/26/45/28/372264528.db2.gz OESHRCGLZTXHHU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3sccc3C2)ccc1F ZINC000160634060 372264535 /nfs/dbraw/zinc/26/45/35/372264535.db2.gz OESHRCGLZTXHHU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1Cl ZINC000162866697 372429973 /nfs/dbraw/zinc/42/99/73/372429973.db2.gz AORGFGRRRNCCCJ-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1Cl ZINC000162866697 372429977 /nfs/dbraw/zinc/42/99/77/372429977.db2.gz AORGFGRRRNCCCJ-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C=CCC(F)(F)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000293678129 372447392 /nfs/dbraw/zinc/44/73/92/372447392.db2.gz RDNGNEVOOMXRME-LBPRGKRZSA-N 1 2 297.349 3.168 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@H]1c1ccncc1 ZINC000293798896 372487181 /nfs/dbraw/zinc/48/71/81/372487181.db2.gz DDSCBMJCNKTZSR-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1ccncc1 ZINC000293798896 372487190 /nfs/dbraw/zinc/48/71/90/372487190.db2.gz DDSCBMJCNKTZSR-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000431800325 372504365 /nfs/dbraw/zinc/50/43/65/372504365.db2.gz WBBLJSDNTURADO-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO CC(C)c1nc(NCCCC#N)cc(C(C)(C)C)[nH+]1 ZINC000433762688 372625574 /nfs/dbraw/zinc/62/55/74/372625574.db2.gz RQCURXFZABDIJO-UHFFFAOYSA-N 1 2 260.385 3.035 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000294588851 372662028 /nfs/dbraw/zinc/66/20/28/372662028.db2.gz QIJKSKFKURWTEX-UHFFFAOYSA-N 1 2 293.436 3.280 20 30 CGEDLO C=CC[C@H](CC)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000440649543 372990073 /nfs/dbraw/zinc/99/00/73/372990073.db2.gz QTJHKFHAIIQDTI-AWEZNQCLSA-N 1 2 268.364 3.036 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)[C@@H](C)O1 ZINC000446068757 373318715 /nfs/dbraw/zinc/31/87/15/373318715.db2.gz JFRXFIITROUGIS-MGPQQGTHSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)[C@@H](C)O1 ZINC000446068757 373318720 /nfs/dbraw/zinc/31/87/20/373318720.db2.gz JFRXFIITROUGIS-MGPQQGTHSA-N 1 2 277.795 3.189 20 30 CGEDLO CCN(CC)c1ccc(CNc2ccc(C#N)cc2)c[nH+]1 ZINC000298707950 373389462 /nfs/dbraw/zinc/38/94/62/373389462.db2.gz JQUKSCAKCKHZBT-UHFFFAOYSA-N 1 2 280.375 3.412 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1ccc(C#N)cc1 ZINC000301107577 373662885 /nfs/dbraw/zinc/66/28/85/373662885.db2.gz UQIFEPSMFGQZQL-UHFFFAOYSA-N 1 2 276.343 3.329 20 30 CGEDLO C=CC(C)(C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000449973042 373978953 /nfs/dbraw/zinc/97/89/53/373978953.db2.gz HFCCGONLOMCEGJ-UHFFFAOYSA-N 1 2 297.402 3.102 20 30 CGEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)o1 ZINC000180937659 374060712 /nfs/dbraw/zinc/06/07/12/374060712.db2.gz HOHJZICGSKGTNR-GFCCVEGCSA-N 1 2 292.379 3.093 20 30 CGEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)o1 ZINC000180937659 374060717 /nfs/dbraw/zinc/06/07/17/374060717.db2.gz HOHJZICGSKGTNR-GFCCVEGCSA-N 1 2 292.379 3.093 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000181116681 374082760 /nfs/dbraw/zinc/08/27/60/374082760.db2.gz MDSRTUJIRUUOBC-ZIAGYGMSSA-N 1 2 290.411 3.391 20 30 CGEDLO N#CC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000450656066 374169100 /nfs/dbraw/zinc/16/91/00/374169100.db2.gz ZXBLGNGXLSLBCT-UHFFFAOYSA-N 1 2 285.347 3.253 20 30 CGEDLO N#CC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000450656066 374169107 /nfs/dbraw/zinc/16/91/07/374169107.db2.gz ZXBLGNGXLSLBCT-UHFFFAOYSA-N 1 2 285.347 3.253 20 30 CGEDLO CC[C@@H](Nc1nc(C)c(C#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000311703103 374252860 /nfs/dbraw/zinc/25/28/60/374252860.db2.gz MJIBKGBVYXOSEB-LLVKDONJSA-N 1 2 275.743 3.201 20 30 CGEDLO O=C(Nc1scnc1C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328909944 374392454 /nfs/dbraw/zinc/39/24/54/374392454.db2.gz FDRRDABKRPCWGV-SNVBAGLBSA-N 1 2 288.376 3.068 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)ccc2[nH+]1 ZINC000328920648 374393343 /nfs/dbraw/zinc/39/33/43/374393343.db2.gz LYKNYCVUCCCNFM-JQWIXIFHSA-N 1 2 285.347 3.236 20 30 CGEDLO CCCC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000328974586 374397909 /nfs/dbraw/zinc/39/79/09/374397909.db2.gz VYTHYBJUHFZOEX-LLVKDONJSA-N 1 2 261.369 3.194 20 30 CGEDLO CCCC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000328974586 374397916 /nfs/dbraw/zinc/39/79/16/374397916.db2.gz VYTHYBJUHFZOEX-LLVKDONJSA-N 1 2 261.369 3.194 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)o1 ZINC000334678839 374969206 /nfs/dbraw/zinc/96/92/06/374969206.db2.gz IFQGXRZFYITPHN-LBPRGKRZSA-N 1 2 292.260 3.346 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(F)F ZINC000334670247 374959267 /nfs/dbraw/zinc/95/92/67/374959267.db2.gz GZNAXTSKZBVKGU-TVQRCGJNSA-N 1 2 250.292 3.179 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCSC3(CCCCC3)C2)n1 ZINC000334615550 374907496 /nfs/dbraw/zinc/90/74/96/374907496.db2.gz MAMQUIRWEOFICW-UHFFFAOYSA-N 1 2 293.461 3.266 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCSC3(CCCCC3)C2)n1 ZINC000334615550 374907502 /nfs/dbraw/zinc/90/75/02/374907502.db2.gz MAMQUIRWEOFICW-UHFFFAOYSA-N 1 2 293.461 3.266 20 30 CGEDLO C=CCCCC[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000471865462 375008113 /nfs/dbraw/zinc/00/81/13/375008113.db2.gz LXRCMAVFOZLEEU-OAHLLOKOSA-N 1 2 261.365 3.155 20 30 CGEDLO CCc1cccc(Cl)c1C[N@H+](C)C[C@H](C)C#N ZINC000475584471 375134792 /nfs/dbraw/zinc/13/47/92/375134792.db2.gz SHFZRJXXSVZUPS-LLVKDONJSA-N 1 2 250.773 3.494 20 30 CGEDLO CCc1cccc(Cl)c1C[N@@H+](C)C[C@H](C)C#N ZINC000475584471 375134802 /nfs/dbraw/zinc/13/48/02/375134802.db2.gz SHFZRJXXSVZUPS-LLVKDONJSA-N 1 2 250.773 3.494 20 30 CGEDLO Cc1cc(F)c(C[NH+]2CCC(C)(C#N)CC2)c(F)c1 ZINC000335555955 375329153 /nfs/dbraw/zinc/32/91/53/375329153.db2.gz AULHAAQCRCKESZ-UHFFFAOYSA-N 1 2 264.319 3.399 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000335843653 375476894 /nfs/dbraw/zinc/47/68/94/375476894.db2.gz MSQJIRXMXOYWLZ-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000335843653 375476897 /nfs/dbraw/zinc/47/68/97/375476897.db2.gz MSQJIRXMXOYWLZ-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO C=CC[N@@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000494640840 375490314 /nfs/dbraw/zinc/49/03/14/375490314.db2.gz CXUNUEVOSXVZFH-UHFFFAOYSA-N 1 2 277.393 3.287 20 30 CGEDLO C=CC[N@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000494640840 375490318 /nfs/dbraw/zinc/49/03/18/375490318.db2.gz CXUNUEVOSXVZFH-UHFFFAOYSA-N 1 2 277.393 3.287 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000335893668 375520590 /nfs/dbraw/zinc/52/05/90/375520590.db2.gz VHLBFYUFRYSWIP-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000335893668 375520597 /nfs/dbraw/zinc/52/05/97/375520597.db2.gz VHLBFYUFRYSWIP-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO CCN(C)c1ccc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000191325488 375610794 /nfs/dbraw/zinc/61/07/94/375610794.db2.gz BMMXTTJGVIVIHS-UHFFFAOYSA-N 1 2 288.439 3.299 20 30 CGEDLO CCN(C)c1ccc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000191325488 375610802 /nfs/dbraw/zinc/61/08/02/375610802.db2.gz BMMXTTJGVIVIHS-UHFFFAOYSA-N 1 2 288.439 3.299 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000500801610 375637951 /nfs/dbraw/zinc/63/79/51/375637951.db2.gz BSZOUPLUJYPVRM-JKSUJKDBSA-N 1 2 275.392 3.023 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccccn2)s1 ZINC000536646033 376106868 /nfs/dbraw/zinc/10/68/68/376106868.db2.gz OWUNSBCRFLTHAK-UHFFFAOYSA-N 1 2 286.404 3.329 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccccn2)s1 ZINC000536646033 376106870 /nfs/dbraw/zinc/10/68/70/376106870.db2.gz OWUNSBCRFLTHAK-UHFFFAOYSA-N 1 2 286.404 3.329 20 30 CGEDLO N#CCCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195052755 376071935 /nfs/dbraw/zinc/07/19/35/376071935.db2.gz ZPSAFSMSUBZPEO-ZDUSSCGKSA-N 1 2 257.362 3.126 20 30 CGEDLO C[C@H](C#N)C[N@H+](CCOc1ccc(F)cc1Cl)C1CC1 ZINC000538783024 376271860 /nfs/dbraw/zinc/27/18/60/376271860.db2.gz UJCFZKATXRHGCJ-LLVKDONJSA-N 1 2 296.773 3.482 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CCOc1ccc(F)cc1Cl)C1CC1 ZINC000538783024 376271863 /nfs/dbraw/zinc/27/18/63/376271863.db2.gz UJCFZKATXRHGCJ-LLVKDONJSA-N 1 2 296.773 3.482 20 30 CGEDLO C=CC[N@@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000538996459 376284575 /nfs/dbraw/zinc/28/45/75/376284575.db2.gz BEFLZCOAQFWLCA-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CC[N@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000538996459 376284579 /nfs/dbraw/zinc/28/45/79/376284579.db2.gz BEFLZCOAQFWLCA-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C(C)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338222046 376288441 /nfs/dbraw/zinc/28/84/41/376288441.db2.gz RCJYGSDJCCVJEY-UHFFFAOYSA-N 1 2 268.316 3.180 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000264456754 190111317 /nfs/dbraw/zinc/11/13/17/190111317.db2.gz JEXUFGMNQCHYFG-UHFFFAOYSA-N 1 2 286.419 3.402 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OCC)CC1 ZINC000264462752 190111418 /nfs/dbraw/zinc/11/14/18/190111418.db2.gz KXYPCMXYARLDKS-CQSZACIVSA-N 1 2 288.391 3.064 20 30 CGEDLO C=CCCCC[N@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000562534507 377327242 /nfs/dbraw/zinc/32/72/42/377327242.db2.gz FBIGDFMHZTWUAZ-CYBMUJFWSA-N 1 2 266.410 3.181 20 30 CGEDLO C=CCCCC[N@@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000562534507 377327251 /nfs/dbraw/zinc/32/72/51/377327251.db2.gz FBIGDFMHZTWUAZ-CYBMUJFWSA-N 1 2 266.410 3.181 20 30 CGEDLO Cc1cnc(CC[N@H+](CCC#N)Cc2ccco2)c(C)c1 ZINC000572031395 377546530 /nfs/dbraw/zinc/54/65/30/377546530.db2.gz JSCIPDDUHRHLIX-UHFFFAOYSA-N 1 2 283.375 3.250 20 30 CGEDLO Cc1cnc(CC[N@@H+](CCC#N)Cc2ccco2)c(C)c1 ZINC000572031395 377546539 /nfs/dbraw/zinc/54/65/39/377546539.db2.gz JSCIPDDUHRHLIX-UHFFFAOYSA-N 1 2 283.375 3.250 20 30 CGEDLO CC(C)c1nc([C@H]2CCC[N@H+](CC3(C#N)CCC3)C2)no1 ZINC000574128791 377624309 /nfs/dbraw/zinc/62/43/09/377624309.db2.gz IDJMGVIHVBYKFH-ZDUSSCGKSA-N 1 2 288.395 3.066 20 30 CGEDLO CC(C)c1nc([C@H]2CCC[N@@H+](CC3(C#N)CCC3)C2)no1 ZINC000574128791 377624315 /nfs/dbraw/zinc/62/43/15/377624315.db2.gz IDJMGVIHVBYKFH-ZDUSSCGKSA-N 1 2 288.395 3.066 20 30 CGEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC2(C#N)CC2)cc1 ZINC000343320838 377951442 /nfs/dbraw/zinc/95/14/42/377951442.db2.gz NCMITAXRXJHRDY-HNNXBMFYSA-N 1 2 272.417 3.389 20 30 CGEDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000343320838 377951448 /nfs/dbraw/zinc/95/14/48/377951448.db2.gz NCMITAXRXJHRDY-HNNXBMFYSA-N 1 2 272.417 3.389 20 30 CGEDLO CCCCCCCCCC(=O)NCc1[nH+]ccn1C ZINC000264261770 377969616 /nfs/dbraw/zinc/96/96/16/377969616.db2.gz DDHBPGXTCUUCLC-UHFFFAOYSA-N 1 2 265.401 3.177 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000266769703 378025829 /nfs/dbraw/zinc/02/58/29/378025829.db2.gz WLUIYRAIIAXWNP-INIZCTEOSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000266769703 378025834 /nfs/dbraw/zinc/02/58/34/378025834.db2.gz WLUIYRAIIAXWNP-INIZCTEOSA-N 1 2 296.361 3.260 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccoc2)n1)C1CC1 ZINC000274035212 378766764 /nfs/dbraw/zinc/76/67/64/378766764.db2.gz DTIZWVXMGMORLI-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccoc2)n1)C1CC1 ZINC000274035212 378766770 /nfs/dbraw/zinc/76/67/70/378766770.db2.gz DTIZWVXMGMORLI-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000274237076 378796485 /nfs/dbraw/zinc/79/64/85/378796485.db2.gz XLCYYPFOBQVRET-UHFFFAOYSA-N 1 2 274.414 3.469 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccsc2)n1)C1CC1 ZINC000274237076 378796493 /nfs/dbraw/zinc/79/64/93/378796493.db2.gz XLCYYPFOBQVRET-UHFFFAOYSA-N 1 2 274.414 3.469 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C2CC2)O1 ZINC000348206531 378839748 /nfs/dbraw/zinc/83/97/48/378839748.db2.gz PZBXEYNOIOSZFK-BZNIZROVSA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C2CC2)O1 ZINC000348206531 378839756 /nfs/dbraw/zinc/83/97/56/378839756.db2.gz PZBXEYNOIOSZFK-BZNIZROVSA-N 1 2 290.794 3.211 20 30 CGEDLO C=CCCCCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000274485708 378841024 /nfs/dbraw/zinc/84/10/24/378841024.db2.gz PQOVGCVJDZEYNW-UHFFFAOYSA-N 1 2 285.391 3.071 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000348577189 378996565 /nfs/dbraw/zinc/99/65/65/378996565.db2.gz QDHUAYDBFOEVKI-GFCCVEGCSA-N 1 2 298.390 3.284 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)[nH]1 ZINC000277515655 379177826 /nfs/dbraw/zinc/17/78/26/379177826.db2.gz WWKGHEVZBGEWOT-ZJUUUORDSA-N 1 2 289.408 3.102 20 30 CGEDLO C=C(C)CCc1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000349782660 379382657 /nfs/dbraw/zinc/38/26/57/379382657.db2.gz ZYBFNUXOGZXIRM-UHFFFAOYSA-N 1 2 280.331 3.431 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000378650730 379855615 /nfs/dbraw/zinc/85/56/15/379855615.db2.gz MUEUOKGFMVUKHV-AWEZNQCLSA-N 1 2 286.281 3.060 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000352448188 379818181 /nfs/dbraw/zinc/81/81/81/379818181.db2.gz FMNQDUBZCNCBJN-UHFFFAOYSA-N 1 2 252.720 3.168 20 30 CGEDLO N#CC1(F)CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000352448023 379818378 /nfs/dbraw/zinc/81/83/78/379818378.db2.gz DOFOOXVPKFLLCO-UHFFFAOYSA-N 1 2 284.737 3.349 20 30 CGEDLO Cc1nsc(NCCCCNc2cccc[nH+]2)c1C#N ZINC000283793664 380090884 /nfs/dbraw/zinc/09/08/84/380090884.db2.gz SLPGRARXYISPNP-UHFFFAOYSA-N 1 2 287.392 3.022 20 30 CGEDLO CCC(CC)([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411535781 380149894 /nfs/dbraw/zinc/14/98/94/380149894.db2.gz GLOKNMCFNNURJD-UHFFFAOYSA-N 1 2 280.412 3.172 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1c(F)cncc1F ZINC000353226916 380176880 /nfs/dbraw/zinc/17/68/80/380176880.db2.gz HFFPEIWFQCOCFW-SECBINFHSA-N 1 2 291.276 3.221 20 30 CGEDLO CCC1(c2ccccc2)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000414135765 380190944 /nfs/dbraw/zinc/19/09/44/380190944.db2.gz DTZVLSFKJWDISH-HNNXBMFYSA-N 1 2 267.376 3.094 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000414405048 380225039 /nfs/dbraw/zinc/22/50/39/380225039.db2.gz ISGQXIMUGAJPCO-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000414405048 380225043 /nfs/dbraw/zinc/22/50/43/380225043.db2.gz ISGQXIMUGAJPCO-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO C[N@H+](Cc1cnc2ccccc2c1)CC(C)(C)C#N ZINC000354017303 380280467 /nfs/dbraw/zinc/28/04/67/380280467.db2.gz IZNKAJVSDXYWLJ-UHFFFAOYSA-N 1 2 253.349 3.216 20 30 CGEDLO C[N@@H+](Cc1cnc2ccccc2c1)CC(C)(C)C#N ZINC000354017303 380280474 /nfs/dbraw/zinc/28/04/74/380280474.db2.gz IZNKAJVSDXYWLJ-UHFFFAOYSA-N 1 2 253.349 3.216 20 30 CGEDLO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000354125141 380338652 /nfs/dbraw/zinc/33/86/52/380338652.db2.gz BPGVYNLDPFXIPE-UHFFFAOYSA-N 1 2 282.343 3.108 20 30 CGEDLO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)o1)C2 ZINC000354125141 380338657 /nfs/dbraw/zinc/33/86/57/380338657.db2.gz BPGVYNLDPFXIPE-UHFFFAOYSA-N 1 2 282.343 3.108 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000279155216 194308375 /nfs/dbraw/zinc/30/83/75/194308375.db2.gz AUHOVQRXEQGNPP-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000279155216 194308376 /nfs/dbraw/zinc/30/83/76/194308376.db2.gz AUHOVQRXEQGNPP-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO CCn1cncc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000417789302 380678493 /nfs/dbraw/zinc/67/84/93/380678493.db2.gz VAFPVEHCSFBWGO-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cncc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000417789302 380678497 /nfs/dbraw/zinc/67/84/97/380678497.db2.gz VAFPVEHCSFBWGO-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1c[nH+]cc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000417789302 380678502 /nfs/dbraw/zinc/67/85/02/380678502.db2.gz VAFPVEHCSFBWGO-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO CSc1ccc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000356308757 380796193 /nfs/dbraw/zinc/79/61/93/380796193.db2.gz UMLDSAUUVQXGNH-UHFFFAOYSA-N 1 2 270.398 3.298 20 30 CGEDLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000360212216 381481284 /nfs/dbraw/zinc/48/12/84/381481284.db2.gz IMQQRWGUCZZBCJ-UHFFFAOYSA-N 1 2 266.728 3.399 20 30 CGEDLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000360212216 381481288 /nfs/dbraw/zinc/48/12/88/381481288.db2.gz IMQQRWGUCZZBCJ-UHFFFAOYSA-N 1 2 266.728 3.399 20 30 CGEDLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361509691 381780441 /nfs/dbraw/zinc/78/04/41/381780441.db2.gz WKAYGUHDOIRUSG-LLVKDONJSA-N 1 2 289.329 3.368 20 30 CGEDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361509691 381780446 /nfs/dbraw/zinc/78/04/46/381780446.db2.gz WKAYGUHDOIRUSG-LLVKDONJSA-N 1 2 289.329 3.368 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000093090455 392234606 /nfs/dbraw/zinc/23/46/06/392234606.db2.gz RGTBHPGBXZNNLN-VIFPVBQESA-N 1 2 272.270 3.161 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000093090455 392234608 /nfs/dbraw/zinc/23/46/08/392234608.db2.gz RGTBHPGBXZNNLN-VIFPVBQESA-N 1 2 272.270 3.161 20 30 CGEDLO N#Cc1cccc(SCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000158716625 392573881 /nfs/dbraw/zinc/57/38/81/392573881.db2.gz PCCTZNXIWJUROF-UHFFFAOYSA-N 1 2 292.367 3.431 20 30 CGEDLO C=CCCC[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000372155422 392588880 /nfs/dbraw/zinc/58/88/80/392588880.db2.gz FVSBCDOSIWVJFA-ZDUSSCGKSA-N 1 2 299.823 3.066 20 30 CGEDLO C=CCCC[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000372155422 392588886 /nfs/dbraw/zinc/58/88/86/392588886.db2.gz FVSBCDOSIWVJFA-ZDUSSCGKSA-N 1 2 299.823 3.066 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000372287882 392596728 /nfs/dbraw/zinc/59/67/28/392596728.db2.gz ILXUCQWKMMSICA-UHFFFAOYSA-N 1 2 288.366 3.090 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000372287882 392596734 /nfs/dbraw/zinc/59/67/34/392596734.db2.gz ILXUCQWKMMSICA-UHFFFAOYSA-N 1 2 288.366 3.090 20 30 CGEDLO C=CCCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000302242202 392613127 /nfs/dbraw/zinc/61/31/27/392613127.db2.gz IYJAIXSHCVKZAF-UHFFFAOYSA-N 1 2 260.385 3.235 20 30 CGEDLO C=CCCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000302242202 392613131 /nfs/dbraw/zinc/61/31/31/392613131.db2.gz IYJAIXSHCVKZAF-UHFFFAOYSA-N 1 2 260.385 3.235 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)c1cccc(CC#N)c1 ZINC000334184411 392708828 /nfs/dbraw/zinc/70/88/28/392708828.db2.gz DERXTONDCYYQLN-UHFFFAOYSA-N 1 2 265.316 3.017 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000335321359 392790025 /nfs/dbraw/zinc/79/00/25/392790025.db2.gz IZOOEORTNOZRCD-CQSZACIVSA-N 1 2 272.377 3.070 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000335321359 392790031 /nfs/dbraw/zinc/79/00/31/392790031.db2.gz IZOOEORTNOZRCD-CQSZACIVSA-N 1 2 272.377 3.070 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000338351866 392910685 /nfs/dbraw/zinc/91/06/85/392910685.db2.gz RDNWSIQQQQKGCR-SNVBAGLBSA-N 1 2 250.292 3.089 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000338351866 392910688 /nfs/dbraw/zinc/91/06/88/392910688.db2.gz RDNWSIQQQQKGCR-SNVBAGLBSA-N 1 2 250.292 3.089 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OC(C)C)C[C@H](C)C#N ZINC000338732110 392925910 /nfs/dbraw/zinc/92/59/10/392925910.db2.gz FOHOPDDVGGPDDT-CQSZACIVSA-N 1 2 260.381 3.455 20 30 CGEDLO CC[N@H+](Cc1ccccc1OC(C)C)C[C@H](C)C#N ZINC000338732110 392925912 /nfs/dbraw/zinc/92/59/12/392925912.db2.gz FOHOPDDVGGPDDT-CQSZACIVSA-N 1 2 260.381 3.455 20 30 CGEDLO CC1=C(C)C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459439433 392943935 /nfs/dbraw/zinc/94/39/35/392943935.db2.gz IVMYZQJNTKFRIE-UHFFFAOYSA-N 1 2 271.320 3.009 20 30 CGEDLO CC1=C(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459439433 392943939 /nfs/dbraw/zinc/94/39/39/392943939.db2.gz IVMYZQJNTKFRIE-UHFFFAOYSA-N 1 2 271.320 3.009 20 30 CGEDLO CC(C)OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000531834747 392992008 /nfs/dbraw/zinc/99/20/08/392992008.db2.gz LSTVETRYZNGUHN-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000346322269 393083801 /nfs/dbraw/zinc/08/38/01/393083801.db2.gz OCKWFPPHVSTNAS-OAHLLOKOSA-N 1 2 293.455 3.039 20 30 CGEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000346322269 393083805 /nfs/dbraw/zinc/08/38/05/393083805.db2.gz OCKWFPPHVSTNAS-OAHLLOKOSA-N 1 2 293.455 3.039 20 30 CGEDLO COc1ccc2cc(C[N@H+](C)CCC#N)ccc2c1 ZINC000258926113 393138421 /nfs/dbraw/zinc/13/84/21/393138421.db2.gz OHMKRCQQGPDWAI-UHFFFAOYSA-N 1 2 254.333 3.194 20 30 CGEDLO COc1ccc2cc(C[N@@H+](C)CCC#N)ccc2c1 ZINC000258926113 393138422 /nfs/dbraw/zinc/13/84/22/393138422.db2.gz OHMKRCQQGPDWAI-UHFFFAOYSA-N 1 2 254.333 3.194 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000355453090 393328470 /nfs/dbraw/zinc/32/84/70/393328470.db2.gz FVUGQNKCXBFVIJ-CQSZACIVSA-N 1 2 288.391 3.005 20 30 CGEDLO Cc1nc(Oc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000488093248 393457307 /nfs/dbraw/zinc/45/73/07/393457307.db2.gz SKCAIDXGYUTPRR-UHFFFAOYSA-N 1 2 276.299 3.240 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649724819 393559185 /nfs/dbraw/zinc/55/91/85/393559185.db2.gz XKYVCQSCFJNLRH-HNNXBMFYSA-N 1 2 289.423 3.429 20 30 CGEDLO C=C(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000360616262 393571349 /nfs/dbraw/zinc/57/13/49/393571349.db2.gz ALTJBCOZNANABP-AWEZNQCLSA-N 1 2 262.303 3.475 20 30 CGEDLO Cc1cc(N2CC[C@]3(CC[C@@H](C)C3)C2)c(C#N)c[nH+]1 ZINC000425243166 393690858 /nfs/dbraw/zinc/69/08/58/393690858.db2.gz DXKXPVNVCLQEIT-WBMJQRKESA-N 1 2 255.365 3.278 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(F)nc1C)c1ccc(F)cc1 ZINC000491464802 393691201 /nfs/dbraw/zinc/69/12/01/393691201.db2.gz TZGOSNPKPXACQM-HNNXBMFYSA-N 1 2 272.298 3.132 20 30 CGEDLO CN(Cc1ccc(C#N)cc1)c1cc[nH+]c2ccncc21 ZINC000444115633 393787733 /nfs/dbraw/zinc/78/77/33/393787733.db2.gz CXRUWCHMAIBVAD-UHFFFAOYSA-N 1 2 274.327 3.138 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000453250738 394220682 /nfs/dbraw/zinc/22/06/82/394220682.db2.gz SOKIDLUMOWLVFY-QWHCGFSZSA-N 1 2 250.292 3.179 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000669729042 543123324 /nfs/dbraw/zinc/12/33/24/543123324.db2.gz KFEYKBQPALKBAD-OAHLLOKOSA-N 1 2 295.386 3.203 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000677047947 543427640 /nfs/dbraw/zinc/42/76/40/543427640.db2.gz LNKRRVTWRVLDQP-BBRMVZONSA-N 1 2 261.340 3.001 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000677047947 543427642 /nfs/dbraw/zinc/42/76/42/543427642.db2.gz LNKRRVTWRVLDQP-BBRMVZONSA-N 1 2 261.340 3.001 20 30 CGEDLO CC(C)CCc1noc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000063495138 165030581 /nfs/dbraw/zinc/03/05/81/165030581.db2.gz KSCBZPYGSKJHFU-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO CC(C)CCc1noc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000063495138 165030584 /nfs/dbraw/zinc/03/05/84/165030584.db2.gz KSCBZPYGSKJHFU-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO Cc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092107932 165281746 /nfs/dbraw/zinc/28/17/46/165281746.db2.gz LBBHIEPNHJXAHD-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1cc(F)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092140258 165283564 /nfs/dbraw/zinc/28/35/64/165283564.db2.gz WSUPNKAHVSTDCZ-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CCOCCNc1[nH+]cccc1OCc1ccccc1 ZINC000680625394 543720778 /nfs/dbraw/zinc/72/07/78/543720778.db2.gz IGACIMDJNFPCRO-UHFFFAOYSA-N 1 2 284.359 3.275 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@@H]2Cc3ccccc32)CCC[C@]12CCCCO2 ZINC000347067004 226012343 /nfs/dbraw/zinc/01/23/43/226012343.db2.gz AVBCWWJUGDBSIF-YTQUADARSA-N 1 2 296.414 3.254 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2Cc3ccccc32)CCC[C@]12CCCCO2 ZINC000347067004 226012347 /nfs/dbraw/zinc/01/23/47/226012347.db2.gz AVBCWWJUGDBSIF-YTQUADARSA-N 1 2 296.414 3.254 20 30 CGEDLO N#CC1CCN(c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000354516067 227018251 /nfs/dbraw/zinc/01/82/51/227018251.db2.gz ZMPFXJQHCOSUPZ-UHFFFAOYSA-N 1 2 293.370 3.401 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCC1(C)C ZINC000655034331 419016678 /nfs/dbraw/zinc/01/66/78/419016678.db2.gz YCXYXRKDYCFZBS-UKRRQHHQSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000655034331 419016681 /nfs/dbraw/zinc/01/66/81/419016681.db2.gz YCXYXRKDYCFZBS-UKRRQHHQSA-N 1 2 289.423 3.182 20 30 CGEDLO C=C[C@](C)(CC)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981522 419033431 /nfs/dbraw/zinc/03/34/31/419033431.db2.gz COFCCCZSFHZHMX-OAHLLOKOSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@@H](C)OCC)n1)[C@H](C)COC ZINC000661244613 419243952 /nfs/dbraw/zinc/24/39/52/419243952.db2.gz WMFIVUIAZSYJER-CHWSQXEVSA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@@H](C)OCC)n1)[C@H](C)COC ZINC000661244613 419243953 /nfs/dbraw/zinc/24/39/53/419243953.db2.gz WMFIVUIAZSYJER-CHWSQXEVSA-N 1 2 298.452 3.264 20 30 CGEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000356078974 228112597 /nfs/dbraw/zinc/11/25/97/228112597.db2.gz AEYIXHFDHPZFJK-GHMZBOCLSA-N 1 2 298.308 3.186 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(Cl)s1 ZINC000662090427 419334309 /nfs/dbraw/zinc/33/43/09/419334309.db2.gz PAELEVPJZOFBTM-AOOOYVTPSA-N 1 2 254.786 3.480 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(Cl)s1 ZINC000662090427 419334311 /nfs/dbraw/zinc/33/43/11/419334311.db2.gz PAELEVPJZOFBTM-AOOOYVTPSA-N 1 2 254.786 3.480 20 30 CGEDLO CC#CC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662095864 419335601 /nfs/dbraw/zinc/33/56/01/419335601.db2.gz RMVAWWAIRHWIBO-ZDUSSCGKSA-N 1 2 264.166 3.219 20 30 CGEDLO CC#CC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662095864 419335604 /nfs/dbraw/zinc/33/56/04/419335604.db2.gz RMVAWWAIRHWIBO-ZDUSSCGKSA-N 1 2 264.166 3.219 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000297824218 260135933 /nfs/dbraw/zinc/13/59/33/260135933.db2.gz JJTZSQPWDKECNC-CQSZACIVSA-N 1 2 283.375 3.240 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000297824218 260135935 /nfs/dbraw/zinc/13/59/35/260135935.db2.gz JJTZSQPWDKECNC-CQSZACIVSA-N 1 2 283.375 3.240 20 30 CGEDLO C=C(Br)C[N@H+](Cc1ccco1)C(C)C ZINC000299366394 260184733 /nfs/dbraw/zinc/18/47/33/260184733.db2.gz FUZKFHQGKGWFFL-UHFFFAOYSA-N 1 2 258.159 3.399 20 30 CGEDLO C=C(Br)C[N@@H+](Cc1ccco1)C(C)C ZINC000299366394 260184734 /nfs/dbraw/zinc/18/47/34/260184734.db2.gz FUZKFHQGKGWFFL-UHFFFAOYSA-N 1 2 258.159 3.399 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OC(F)F ZINC000054183214 260216616 /nfs/dbraw/zinc/21/66/16/260216616.db2.gz LMORYSXNASKMMK-NSHDSACASA-N 1 2 254.280 3.070 20 30 CGEDLO CCC(CC)CN(CCC#N)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068425135 260256350 /nfs/dbraw/zinc/25/63/50/260256350.db2.gz OLJDTYYPPXBHHN-UHFFFAOYSA-N 1 2 298.390 3.126 20 30 CGEDLO Cc1cccc2[nH+]c(CN(CCC#N)CCC(C)C)cn21 ZINC000072692070 260277345 /nfs/dbraw/zinc/27/73/45/260277345.db2.gz MBJPKUNUNOBEPX-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO N#CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000081517355 260333858 /nfs/dbraw/zinc/33/38/58/260333858.db2.gz IXQPEGPVGJUWMP-UHFFFAOYSA-N 1 2 299.330 3.146 20 30 CGEDLO N#CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000081517355 260333859 /nfs/dbraw/zinc/33/38/59/260333859.db2.gz IXQPEGPVGJUWMP-UHFFFAOYSA-N 1 2 299.330 3.146 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(C(C)(C)C)s1 ZINC000448357740 261126256 /nfs/dbraw/zinc/12/62/56/261126256.db2.gz YKFJFISOBCXFCN-UHFFFAOYSA-N 1 2 268.426 3.075 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(C(C)(C)C)s1 ZINC000448357740 261126258 /nfs/dbraw/zinc/12/62/58/261126258.db2.gz YKFJFISOBCXFCN-UHFFFAOYSA-N 1 2 268.426 3.075 20 30 CGEDLO C=CC[N@H+](Cc1ccccn1)Cc1ccccc1F ZINC000104948595 261305530 /nfs/dbraw/zinc/30/55/30/261305530.db2.gz WAJOJSIKCCQDOE-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1ccccn1)Cc1ccccc1F ZINC000104948595 261305531 /nfs/dbraw/zinc/30/55/31/261305531.db2.gz WAJOJSIKCCQDOE-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000364000427 262086965 /nfs/dbraw/zinc/08/69/65/262086965.db2.gz GAKJWKGYUGDDQG-DOTOQJQBSA-N 1 2 289.423 3.244 20 30 CGEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000364000427 262086967 /nfs/dbraw/zinc/08/69/67/262086967.db2.gz GAKJWKGYUGDDQG-DOTOQJQBSA-N 1 2 289.423 3.244 20 30 CGEDLO CC(C)C[C@@H](C[N@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270137 262341285 /nfs/dbraw/zinc/34/12/85/262341285.db2.gz BIRSTVCXJUZTKO-KBPBESRZSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270137 262341287 /nfs/dbraw/zinc/34/12/87/262341287.db2.gz BIRSTVCXJUZTKO-KBPBESRZSA-N 1 2 297.443 3.160 20 30 CGEDLO CCCCCCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365567050 262370888 /nfs/dbraw/zinc/37/08/88/262370888.db2.gz DFRYSTJCYZMJRV-HNNXBMFYSA-N 1 2 291.439 3.487 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000338572930 262548349 /nfs/dbraw/zinc/54/83/49/262548349.db2.gz XSBZVBCCCIZVCM-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C=CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000338572930 262548351 /nfs/dbraw/zinc/54/83/51/262548351.db2.gz XSBZVBCCCIZVCM-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272501099 263005461 /nfs/dbraw/zinc/00/54/61/263005461.db2.gz DROZUXPGQIPEMY-UHFFFAOYSA-N 1 2 295.386 3.285 20 30 CGEDLO COc1c(Br)cccc1C[N@H+](C)C[C@H](C)C#N ZINC000274929169 263031541 /nfs/dbraw/zinc/03/15/41/263031541.db2.gz XACVDOYTZMWIAI-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO COc1c(Br)cccc1C[N@@H+](C)C[C@H](C)C#N ZINC000274929169 263031542 /nfs/dbraw/zinc/03/15/42/263031542.db2.gz XACVDOYTZMWIAI-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO C#C[C@H](C)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000289101623 263107480 /nfs/dbraw/zinc/10/74/80/263107480.db2.gz CCRUBDRKZHSRBL-ZDUSSCGKSA-N 1 2 286.400 3.142 20 30 CGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]1C ZINC000292916233 263136407 /nfs/dbraw/zinc/13/64/07/263136407.db2.gz FVYPXFSBSJTXQJ-ZIAGYGMSSA-N 1 2 295.386 3.078 20 30 CGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]1C ZINC000292916233 263136408 /nfs/dbraw/zinc/13/64/08/263136408.db2.gz FVYPXFSBSJTXQJ-ZIAGYGMSSA-N 1 2 295.386 3.078 20 30 CGEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000293019558 263137207 /nfs/dbraw/zinc/13/72/07/263137207.db2.gz IDARJAVEWJVFTJ-CYBMUJFWSA-N 1 2 259.397 3.359 20 30 CGEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000293019558 263137208 /nfs/dbraw/zinc/13/72/08/263137208.db2.gz IDARJAVEWJVFTJ-CYBMUJFWSA-N 1 2 259.397 3.359 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000393795963 263176719 /nfs/dbraw/zinc/17/67/19/263176719.db2.gz ITPNOPVHYCXHOB-GJZGRUSLSA-N 1 2 261.365 3.235 20 30 CGEDLO C=C(CNc1cc[nH+]c(C(C)C)n1)c1ccccc1 ZINC000340854066 263308965 /nfs/dbraw/zinc/30/89/65/263308965.db2.gz SNPZFFZXLNQVFT-UHFFFAOYSA-N 1 2 253.349 3.147 20 30 CGEDLO CC(C)(C)c1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000330864156 264057201 /nfs/dbraw/zinc/05/72/01/264057201.db2.gz WTFYUWPTTOBLFL-XJKSGUPXSA-N 1 2 299.418 3.204 20 30 CGEDLO C=CC[C@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000282857722 264511286 /nfs/dbraw/zinc/51/12/86/264511286.db2.gz SRNLLOHKFRRJHL-HSBSLETESA-N 1 2 273.380 3.016 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000343323739 264849256 /nfs/dbraw/zinc/84/92/56/264849256.db2.gz VYDUZVYNJFVPPH-MRXNPFEDSA-N 1 2 288.366 3.110 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000343323739 264849258 /nfs/dbraw/zinc/84/92/58/264849258.db2.gz VYDUZVYNJFVPPH-MRXNPFEDSA-N 1 2 288.366 3.110 20 30 CGEDLO N#Cc1csc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000084283300 270043216 /nfs/dbraw/zinc/04/32/16/270043216.db2.gz LDLLPHRNDOROBN-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCC1 ZINC000418143433 267364782 /nfs/dbraw/zinc/36/47/82/267364782.db2.gz PLEKVLKOJFBEOP-UHFFFAOYSA-N 1 2 276.767 3.058 20 30 CGEDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCCCC(C)(C)C#N ZINC000375721708 267892790 /nfs/dbraw/zinc/89/27/90/267892790.db2.gz WKGLRSUEPDGXKR-MRXNPFEDSA-N 1 2 289.423 3.118 20 30 CGEDLO Cn1cccc1[C@H]1COCC[N@H+]1CCCCC(C)(C)C#N ZINC000375721708 267892792 /nfs/dbraw/zinc/89/27/92/267892792.db2.gz WKGLRSUEPDGXKR-MRXNPFEDSA-N 1 2 289.423 3.118 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000356516511 279042766 /nfs/dbraw/zinc/04/27/66/279042766.db2.gz MGNLGVGCSAWQOC-MRXNPFEDSA-N 1 2 297.402 3.058 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000356516511 279042769 /nfs/dbraw/zinc/04/27/69/279042769.db2.gz MGNLGVGCSAWQOC-MRXNPFEDSA-N 1 2 297.402 3.058 20 30 CGEDLO Cc1cc(N[C@H]2CCc3cc(Cl)ccc32)c(C#N)c[nH+]1 ZINC000425206194 280301194 /nfs/dbraw/zinc/30/11/94/280301194.db2.gz CPOKGFAYQRKFMU-HNNXBMFYSA-N 1 2 283.762 3.436 20 30 CGEDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000562068285 289673968 /nfs/dbraw/zinc/67/39/68/289673968.db2.gz QITZYQWIVXTCNP-CABZTGNLSA-N 1 2 273.361 3.021 20 30 CGEDLO Cc1nc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(Cl)cc1C#N ZINC000333712997 293341936 /nfs/dbraw/zinc/34/19/36/293341936.db2.gz QFJSSVBOJNLMPI-QPUJVOFHSA-N 1 2 287.754 3.230 20 30 CGEDLO N#Cc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000267532274 294911537 /nfs/dbraw/zinc/91/15/37/294911537.db2.gz LSDWPIGMFPNDCZ-OAHLLOKOSA-N 1 2 284.338 3.148 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCc2ccccc21 ZINC000329646378 295384488 /nfs/dbraw/zinc/38/44/88/295384488.db2.gz DOTQOHCNZOHYQJ-HIFRSBDPSA-N 1 2 295.386 3.344 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCc2ccccc21 ZINC000329646378 295384490 /nfs/dbraw/zinc/38/44/90/295384490.db2.gz DOTQOHCNZOHYQJ-HIFRSBDPSA-N 1 2 295.386 3.344 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000335575355 303141822 /nfs/dbraw/zinc/14/18/22/303141822.db2.gz ARNGVWUIGOLJKM-OAHLLOKOSA-N 1 2 280.375 3.394 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)CCC1 ZINC000335575355 303141825 /nfs/dbraw/zinc/14/18/25/303141825.db2.gz ARNGVWUIGOLJKM-OAHLLOKOSA-N 1 2 280.375 3.394 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccccc2C(C)(C)C#N)no1 ZINC000269021499 328188923 /nfs/dbraw/zinc/18/89/23/328188923.db2.gz ZAVMHNPAUOPCHB-UHFFFAOYSA-N 1 2 298.390 3.204 20 30 CGEDLO N#CCSCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292572900 328271858 /nfs/dbraw/zinc/27/18/58/328271858.db2.gz BVHYKACUUSILSY-LBPRGKRZSA-N 1 2 270.348 3.229 20 30 CGEDLO Cc1cc(N2CCC(F)(c3cccnc3)CC2)c(C#N)c[nH+]1 ZINC000564561108 322034465 /nfs/dbraw/zinc/03/44/65/322034465.db2.gz DJRCQOZTSYJSJC-UHFFFAOYSA-N 1 2 296.349 3.122 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000121363619 328375598 /nfs/dbraw/zinc/37/55/98/328375598.db2.gz UMEPDLDSIQXFNP-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000121363619 328375599 /nfs/dbraw/zinc/37/55/99/328375599.db2.gz UMEPDLDSIQXFNP-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]c2ccccc2cc1C ZINC000584091507 326945754 /nfs/dbraw/zinc/94/57/54/326945754.db2.gz YDQRGMNPSDVULR-WBVHZDCISA-N 1 2 282.387 3.358 20 30 CGEDLO Cc1cc2ccccc2[nH+]c1NCC(C)(C)CC#N ZINC000582473549 329094283 /nfs/dbraw/zinc/09/42/83/329094283.db2.gz UEPOQOYLGXMLJY-UHFFFAOYSA-N 1 2 253.349 3.317 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@H](C)S1 ZINC000582523221 329106415 /nfs/dbraw/zinc/10/64/15/329106415.db2.gz GABHOQMBJNWCSH-PHIMTYICSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@H](C)S1 ZINC000582523221 329106417 /nfs/dbraw/zinc/10/64/17/329106417.db2.gz GABHOQMBJNWCSH-PHIMTYICSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000177361785 329183541 /nfs/dbraw/zinc/18/35/41/329183541.db2.gz KHCZAJASJGHSHK-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000177361785 329183543 /nfs/dbraw/zinc/18/35/43/329183543.db2.gz KHCZAJASJGHSHK-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000181314729 329231284 /nfs/dbraw/zinc/23/12/84/329231284.db2.gz CCLKGBSAWMPOSP-UHFFFAOYSA-N 1 2 275.327 3.192 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000181314729 329231285 /nfs/dbraw/zinc/23/12/85/329231285.db2.gz CCLKGBSAWMPOSP-UHFFFAOYSA-N 1 2 275.327 3.192 20 30 CGEDLO CC[C@H](CC#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000183906597 329254275 /nfs/dbraw/zinc/25/42/75/329254275.db2.gz CYFCXMXDGJHMEB-CQSZACIVSA-N 1 2 295.342 3.296 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000583181095 329341931 /nfs/dbraw/zinc/34/19/31/329341931.db2.gz SDKJQAUQOLCDKZ-UHFFFAOYSA-N 1 2 297.314 3.248 20 30 CGEDLO C=CCCOCCNc1[nH+]ccc(C)c1Br ZINC000231837398 329379360 /nfs/dbraw/zinc/37/93/60/329379360.db2.gz TWEBWPRYRTZRIM-UHFFFAOYSA-N 1 2 285.185 3.157 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000419233560 329713784 /nfs/dbraw/zinc/71/37/84/329713784.db2.gz WIOCETZYJKQEBI-AWEZNQCLSA-N 1 2 261.365 3.011 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(F)CC1 ZINC000527218858 330238282 /nfs/dbraw/zinc/23/82/82/330238282.db2.gz CMIWVRMYRHCWMT-UHFFFAOYSA-N 1 2 264.300 3.085 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(F)CC1 ZINC000527218858 330238283 /nfs/dbraw/zinc/23/82/83/330238283.db2.gz CMIWVRMYRHCWMT-UHFFFAOYSA-N 1 2 264.300 3.085 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527510433 330255381 /nfs/dbraw/zinc/25/53/81/330255381.db2.gz PVBOSEGUOAFDRX-GJZGRUSLSA-N 1 2 258.340 3.260 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000527510433 330255382 /nfs/dbraw/zinc/25/53/82/330255382.db2.gz PVBOSEGUOAFDRX-GJZGRUSLSA-N 1 2 258.340 3.260 20 30 CGEDLO C=CC(C)(C)CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000528076084 330305429 /nfs/dbraw/zinc/30/54/29/330305429.db2.gz XGKIHROJLYVGFC-UHFFFAOYSA-N 1 2 260.385 3.091 20 30 CGEDLO C=CC(C)(C)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000528076084 330305430 /nfs/dbraw/zinc/30/54/30/330305430.db2.gz XGKIHROJLYVGFC-UHFFFAOYSA-N 1 2 260.385 3.091 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccccc2SC)nn1 ZINC000424300994 330337863 /nfs/dbraw/zinc/33/78/63/330337863.db2.gz YYJUURKRBQMWCZ-LBPRGKRZSA-N 1 2 288.420 3.037 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000424558052 330375683 /nfs/dbraw/zinc/37/56/83/330375683.db2.gz INRQFFVHERABCY-UHFFFAOYSA-N 1 2 291.782 3.206 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000120989688 330394161 /nfs/dbraw/zinc/39/41/61/330394161.db2.gz LMBKTEIUXHYSIC-UHFFFAOYSA-N 1 2 287.338 3.358 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000121194164 330397453 /nfs/dbraw/zinc/39/74/53/330397453.db2.gz ZFFRNSKURUWLSX-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CC[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000121194164 330397454 /nfs/dbraw/zinc/39/74/54/330397454.db2.gz ZFFRNSKURUWLSX-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC1(C#N)CCC1 ZINC000450904784 331006220 /nfs/dbraw/zinc/00/62/20/331006220.db2.gz CIYNLJIPPZLDOP-AWEZNQCLSA-N 1 2 272.396 3.124 20 30 CGEDLO CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H](C)C#N ZINC000488327708 332000070 /nfs/dbraw/zinc/00/00/70/332000070.db2.gz MOZKUVMZQGSNNL-NSHDSACASA-N 1 2 259.328 3.289 20 30 CGEDLO CC[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@H](C)C#N ZINC000488327708 332000072 /nfs/dbraw/zinc/00/00/72/332000072.db2.gz MOZKUVMZQGSNNL-NSHDSACASA-N 1 2 259.328 3.289 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(N(CC)C(C)=O)n1 ZINC000489456414 332053927 /nfs/dbraw/zinc/05/39/27/332053927.db2.gz OHYGPFRZAXGYAH-AWEZNQCLSA-N 1 2 293.436 3.056 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(N(CC)C(C)=O)n1 ZINC000489456414 332053928 /nfs/dbraw/zinc/05/39/28/332053928.db2.gz OHYGPFRZAXGYAH-AWEZNQCLSA-N 1 2 293.436 3.056 20 30 CGEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1(C#N)CC1 ZINC000490077308 332080360 /nfs/dbraw/zinc/08/03/60/332080360.db2.gz DNIWTWFBCFCLSH-CQSZACIVSA-N 1 2 278.783 3.263 20 30 CGEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000490077308 332080362 /nfs/dbraw/zinc/08/03/62/332080362.db2.gz DNIWTWFBCFCLSH-CQSZACIVSA-N 1 2 278.783 3.263 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)cc1 ZINC000491338898 332192676 /nfs/dbraw/zinc/19/26/76/332192676.db2.gz MJCMWKUOXKFLLR-INIZCTEOSA-N 1 2 297.329 3.061 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)cc1 ZINC000491673930 332280055 /nfs/dbraw/zinc/28/00/55/332280055.db2.gz WQPKHSSOFBGNBG-OAHLLOKOSA-N 1 2 285.318 3.004 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccc(F)cc1 ZINC000491692724 332289363 /nfs/dbraw/zinc/28/93/63/332289363.db2.gz BLJIJUGEGWQGAL-KRWDZBQOSA-N 1 2 299.345 3.307 20 30 CGEDLO C#C[C@@H](NCc1cn2cc(C)ccc2[nH+]1)c1ccc(F)cc1 ZINC000491775582 332341398 /nfs/dbraw/zinc/34/13/98/332341398.db2.gz DSDIZRXUSHENLS-QGZVFWFLSA-N 1 2 293.345 3.246 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(F)cc1 ZINC000491775582 332341399 /nfs/dbraw/zinc/34/13/99/332341399.db2.gz DSDIZRXUSHENLS-QGZVFWFLSA-N 1 2 293.345 3.246 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491805803 332359400 /nfs/dbraw/zinc/35/94/00/332359400.db2.gz PEZGBZYVQBYOBP-JTQLQIEISA-N 1 2 260.362 3.165 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491805803 332359402 /nfs/dbraw/zinc/35/94/02/332359402.db2.gz PEZGBZYVQBYOBP-JTQLQIEISA-N 1 2 260.362 3.165 20 30 CGEDLO N#CCC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000517128064 333093128 /nfs/dbraw/zinc/09/31/28/333093128.db2.gz VXPSODWGJLHUQF-UHFFFAOYSA-N 1 2 273.561 3.106 20 30 CGEDLO CCOC[C@H]([NH2+][C@@H](C#N)C1CCCCC1)C(C)C ZINC000189806385 333199388 /nfs/dbraw/zinc/19/93/88/333199388.db2.gz NAIMOTLFCPCGKI-GJZGRUSLSA-N 1 2 252.402 3.110 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(C#N)ccc1Br ZINC000191775503 333225224 /nfs/dbraw/zinc/22/52/24/333225224.db2.gz LKNROXWBEAYICU-UHFFFAOYSA-N 1 2 291.192 3.495 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576163610 335163093 /nfs/dbraw/zinc/16/30/93/335163093.db2.gz YAJRESZICBWFQO-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576163610 335163095 /nfs/dbraw/zinc/16/30/95/335163095.db2.gz YAJRESZICBWFQO-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548098045 334139954 /nfs/dbraw/zinc/13/99/54/334139954.db2.gz HHHYFVNLQIYOQY-STQMWFEESA-N 1 2 290.432 3.386 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000136413453 334154359 /nfs/dbraw/zinc/15/43/59/334154359.db2.gz FGYAPHMXOIMYEP-UHFFFAOYSA-N 1 2 276.767 3.010 20 30 CGEDLO CN(CCC[N@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000576939001 335266587 /nfs/dbraw/zinc/26/65/87/335266587.db2.gz LZZYCMLKQXRWDN-UHFFFAOYSA-N 1 2 271.408 3.281 20 30 CGEDLO CN(CCC[N@@H+](CC#N)C1CCCC1)c1ccccc1 ZINC000576939001 335266588 /nfs/dbraw/zinc/26/65/88/335266588.db2.gz LZZYCMLKQXRWDN-UHFFFAOYSA-N 1 2 271.408 3.281 20 30 CGEDLO C=CC[N@H+](Cc1snnc1C)Cc1ccc(OC)cc1 ZINC000581651278 336117861 /nfs/dbraw/zinc/11/78/61/336117861.db2.gz OCGDCGJTNRVCIR-UHFFFAOYSA-N 1 2 289.404 3.043 20 30 CGEDLO C=CC[N@@H+](Cc1snnc1C)Cc1ccc(OC)cc1 ZINC000581651278 336117862 /nfs/dbraw/zinc/11/78/62/336117862.db2.gz OCGDCGJTNRVCIR-UHFFFAOYSA-N 1 2 289.404 3.043 20 30 CGEDLO C[C@H]([NH2+]Cc1cscn1)c1ccc(C#N)cc1F ZINC000358571728 533942125 /nfs/dbraw/zinc/94/21/25/533942125.db2.gz PLZRKCMZJPXJLS-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000425543890 534082079 /nfs/dbraw/zinc/08/20/79/534082079.db2.gz ZUEQNVIBXAYBMS-NSHDSACASA-N 1 2 282.347 3.012 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000425543890 534082083 /nfs/dbraw/zinc/08/20/83/534082083.db2.gz ZUEQNVIBXAYBMS-NSHDSACASA-N 1 2 282.347 3.012 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCSc2ccccc21 ZINC000330117068 534718590 /nfs/dbraw/zinc/71/85/90/534718590.db2.gz WKBIRWJQISIKSH-LBPRGKRZSA-N 1 2 287.388 3.454 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000330033117 534719114 /nfs/dbraw/zinc/71/91/14/534719114.db2.gz ACCQSAAVTQACGK-QGZVFWFLSA-N 1 2 283.375 3.370 20 30 CGEDLO Cc1csc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358574251 534816786 /nfs/dbraw/zinc/81/67/86/534816786.db2.gz RRDYSTAVTJAWFS-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356058915 528965081 /nfs/dbraw/zinc/96/50/81/528965081.db2.gz GQMIAWFGUDRRQA-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356058915 528965087 /nfs/dbraw/zinc/96/50/87/528965087.db2.gz GQMIAWFGUDRRQA-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428245238 529124654 /nfs/dbraw/zinc/12/46/54/529124654.db2.gz MDSWZDMVNSBFKS-UHFFFAOYSA-N 1 2 264.369 3.025 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428245238 529124656 /nfs/dbraw/zinc/12/46/56/529124656.db2.gz MDSWZDMVNSBFKS-UHFFFAOYSA-N 1 2 264.369 3.025 20 30 CGEDLO Cc1ccc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000727260097 571735849 /nfs/dbraw/zinc/73/58/49/571735849.db2.gz PMEHSYIAZNUBIS-UHFFFAOYSA-N 1 2 291.358 3.412 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000728746345 571816720 /nfs/dbraw/zinc/81/67/20/571816720.db2.gz BYTHPPOYEGAZNJ-AWEZNQCLSA-N 1 2 294.443 3.216 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(O)cc1F ZINC000730147737 571951001 /nfs/dbraw/zinc/95/10/01/571951001.db2.gz JFAWKWLNIQNKIN-UHFFFAOYSA-N 1 2 295.317 3.338 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1cccs1 ZINC000730148357 571951720 /nfs/dbraw/zinc/95/17/20/571951720.db2.gz RIZHMOKJXZTBCP-UHFFFAOYSA-N 1 2 253.330 3.164 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731157125 572398300 /nfs/dbraw/zinc/39/83/00/572398300.db2.gz RSZZCGFRIXDDRA-SREVYHEPSA-N 1 2 251.289 3.096 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCc3ccccc32)c1O ZINC000731938013 572439082 /nfs/dbraw/zinc/43/90/82/572439082.db2.gz QPNVVRKFJSTHGJ-FHXOWUIVSA-N 1 2 267.328 3.247 20 30 CGEDLO C[C@H](/[NH+]=C\c1ccc(O)c(O)c1O)C1CCCCC1 ZINC000741466115 572500612 /nfs/dbraw/zinc/50/06/12/572500612.db2.gz FDFZUOJUMIBITQ-XBTXGSBDSA-N 1 2 263.337 3.191 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1Br)C(C)C ZINC000746140280 572856293 /nfs/dbraw/zinc/85/62/93/572856293.db2.gz KZJYDQPGAVIVPN-UHFFFAOYSA-N 1 2 266.182 3.293 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1Br)C(C)C ZINC000746140280 572856295 /nfs/dbraw/zinc/85/62/95/572856295.db2.gz KZJYDQPGAVIVPN-UHFFFAOYSA-N 1 2 266.182 3.293 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCCOCC2CC2)c(O)c1 ZINC000747714977 572942944 /nfs/dbraw/zinc/94/29/44/572942944.db2.gz AOAWWBKAVWHQFD-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(O)c(F)c3)n21 ZINC000748997560 572987842 /nfs/dbraw/zinc/98/78/42/572987842.db2.gz LALBLYJNWDFMFI-SOFGYWHQSA-N 1 2 296.301 3.384 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC2CCC(OC)CC2)c1O ZINC000749931067 573062308 /nfs/dbraw/zinc/06/23/08/573062308.db2.gz PCYIXQCHNCINJQ-PDGQHHTCSA-N 1 2 291.391 3.415 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749943082 573063656 /nfs/dbraw/zinc/06/36/56/573063656.db2.gz XMVPNSRFXSUEDZ-MSOLQXFVSA-N 1 2 298.430 3.423 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749943082 573063662 /nfs/dbraw/zinc/06/36/62/573063662.db2.gz XMVPNSRFXSUEDZ-MSOLQXFVSA-N 1 2 298.430 3.423 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC000957324500 613295869 /nfs/dbraw/zinc/29/58/69/613295869.db2.gz KTAKNOCNTFLTDA-UHFFFAOYSA-N 1 2 286.419 3.026 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2(F)CCC2)c(O)c1 ZINC000806551486 617656536 /nfs/dbraw/zinc/65/65/36/617656536.db2.gz TZJZZVQZYADKQO-GZTJUZNOSA-N 1 2 265.328 3.492 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000890890064 617891741 /nfs/dbraw/zinc/89/17/41/617891741.db2.gz IAXAYWNMFQHGAZ-ZDUSSCGKSA-N 1 2 290.432 3.096 20 30 CGEDLO C=C(C)CC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845864488 618056116 /nfs/dbraw/zinc/05/61/16/618056116.db2.gz JSELAKQWARGIPN-QWHCGFSZSA-N 1 2 250.342 3.122 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC1CCOCC1 ZINC000255389244 618251134 /nfs/dbraw/zinc/25/11/34/618251134.db2.gz XLUSCXSDDHXOSN-PDGQHHTCSA-N 1 2 269.344 3.391 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000892160594 618565880 /nfs/dbraw/zinc/56/58/80/618565880.db2.gz YOSPOPHXSGFKKP-UHFFFAOYSA-N 1 2 284.338 3.044 20 30 CGEDLO CC[C@@H]([NH2+]CC(F)(F)CC)c1cccc(C#N)c1O ZINC000926759616 618868927 /nfs/dbraw/zinc/86/89/27/618868927.db2.gz VFDOWXMSMKEMAN-GFCCVEGCSA-N 1 2 268.307 3.350 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008221764 619067131 /nfs/dbraw/zinc/06/71/31/619067131.db2.gz ADOSCNXWFDSEHU-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008221764 619067133 /nfs/dbraw/zinc/06/71/33/619067133.db2.gz ADOSCNXWFDSEHU-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000893528664 619205425 /nfs/dbraw/zinc/20/54/25/619205425.db2.gz ZIWNSLUZYJMVRR-DYVFJYSZSA-N 1 2 270.376 3.136 20 30 CGEDLO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000893528664 619205429 /nfs/dbraw/zinc/20/54/29/619205429.db2.gz ZIWNSLUZYJMVRR-DYVFJYSZSA-N 1 2 270.376 3.136 20 30 CGEDLO Fc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000254026012 619396458 /nfs/dbraw/zinc/39/64/58/619396458.db2.gz YUQLTJWAQQMLCY-UHFFFAOYSA-N 1 2 265.291 3.242 20 30 CGEDLO CCSCc1ccc[nH+]c1N[C@H]1CC[C@H](C#N)C1 ZINC000895687998 619870620 /nfs/dbraw/zinc/87/06/20/619870620.db2.gz HNBVXEXPPLBFTM-AAEUAGOBSA-N 1 2 261.394 3.439 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000840709800 620106098 /nfs/dbraw/zinc/10/60/98/620106098.db2.gz ODLRXRRQRMTYMB-PHRVDBPJSA-N 1 2 291.391 3.271 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](CCC)C2)c1=S ZINC000121312488 620190040 /nfs/dbraw/zinc/19/00/40/620190040.db2.gz DMSUTKOUQIKUOR-CQSZACIVSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](CCC)C2)c1=S ZINC000121312488 620190043 /nfs/dbraw/zinc/19/00/43/620190043.db2.gz DMSUTKOUQIKUOR-CQSZACIVSA-N 1 2 294.468 3.378 20 30 CGEDLO Cc1ccoc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897591489 620405416 /nfs/dbraw/zinc/40/54/16/620405416.db2.gz MVBLBEZZUWKWAF-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccoc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897591489 620405417 /nfs/dbraw/zinc/40/54/17/620405417.db2.gz MVBLBEZZUWKWAF-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccnn1C1CCC1 ZINC000897624328 620411395 /nfs/dbraw/zinc/41/13/95/620411395.db2.gz IGIUECPGPZPQII-UHFFFAOYSA-N 1 2 286.404 3.173 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccnn1C1CCC1 ZINC000897624328 620411401 /nfs/dbraw/zinc/41/14/01/620411401.db2.gz IGIUECPGPZPQII-UHFFFAOYSA-N 1 2 286.404 3.173 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CCC3(CCC3)O2)c1 ZINC000899227997 620627525 /nfs/dbraw/zinc/62/75/25/620627525.db2.gz WPFHDIKSPPXLFX-CRRKTRLDSA-N 1 2 289.375 3.312 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CCC2(CCC2)O1 ZINC000899227737 620627597 /nfs/dbraw/zinc/62/75/97/620627597.db2.gz QWKVSHVBNFROOG-RFRKOGIWSA-N 1 2 259.349 3.303 20 30 CGEDLO CC1(C)CC[C@H](CC/[NH+]=C/c2cccc(O)c2O)OC1 ZINC000899230233 620627969 /nfs/dbraw/zinc/62/79/69/620627969.db2.gz FUMDYWPWTULEJP-VGSSETLESA-N 1 2 277.364 3.112 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(C)cc1OC ZINC000901452583 620885447 /nfs/dbraw/zinc/88/54/47/620885447.db2.gz YCEBFBAAIFNBGV-SOFGYWHQSA-N 1 2 270.332 3.116 20 30 CGEDLO COc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)ccc1O ZINC000901431962 620886258 /nfs/dbraw/zinc/88/62/58/620886258.db2.gz ZSWCFNFZYMYOLO-ALCCZGGFSA-N 1 2 286.331 3.074 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901477146 620891775 /nfs/dbraw/zinc/89/17/75/620891775.db2.gz MJNNAGMVPHUDLH-MDWZMJQESA-N 1 2 282.343 3.248 20 30 CGEDLO CC(C)n1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cn1 ZINC000901468548 620896458 /nfs/dbraw/zinc/89/64/58/620896458.db2.gz MZZVKJWRWUJIQF-WAYWQWQTSA-N 1 2 272.352 3.138 20 30 CGEDLO Cn1c[nH+]cc1/C=C1\CC(C)(C)c2ccccc2C1=O ZINC000901508201 620906275 /nfs/dbraw/zinc/90/62/75/620906275.db2.gz PFUNPJCUOPPURQ-XYOKQWHBSA-N 1 2 266.344 3.368 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2c(F)cccc2C1=O ZINC000901543633 620932479 /nfs/dbraw/zinc/93/24/79/620932479.db2.gz JBHDHAZCPYEQDZ-DHZHZOJOSA-N 1 2 270.307 3.255 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000903100752 621574726 /nfs/dbraw/zinc/57/47/26/621574726.db2.gz WWWBYAIMBBSYOL-LBPRGKRZSA-N 1 2 250.292 3.091 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccnc1Cl ZINC000903108931 621582623 /nfs/dbraw/zinc/58/26/23/621582623.db2.gz XIADDCSULHPWRF-LLVKDONJSA-N 1 2 263.772 3.470 20 30 CGEDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903323717 621677568 /nfs/dbraw/zinc/67/75/68/621677568.db2.gz COTNCTRZBVFBPR-BZNIZROVSA-N 1 2 296.349 3.289 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc(C#N)c1O ZINC000903318569 621689429 /nfs/dbraw/zinc/68/94/29/621689429.db2.gz QHYFMOONAMODFW-UOVKNHIHSA-N 1 2 256.349 3.103 20 30 CGEDLO CC[C@@H]([NH2+]C/C=C/Cl)c1cccc(C#N)c1O ZINC000903443775 621756102 /nfs/dbraw/zinc/75/61/02/621756102.db2.gz KUJWAGHMIMDLOE-RPTYSRGTSA-N 1 2 250.729 3.057 20 30 CGEDLO Cc1cc(C)c(C(=O)N2Cc3ccc(C#N)cc3C2)c(C)[nH+]1 ZINC000912061010 622591641 /nfs/dbraw/zinc/59/16/41/622591641.db2.gz XEIGRYHQBCJAJK-UHFFFAOYSA-N 1 2 291.354 3.035 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4ccccc4C3=O)n2c1 ZINC000151376578 622775625 /nfs/dbraw/zinc/77/56/25/622775625.db2.gz FQGNVZNZOYQPER-ZROIWOOFSA-N 1 2 274.323 3.465 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(O)cc3)n2c1 ZINC000151374864 622777621 /nfs/dbraw/zinc/77/76/21/622777621.db2.gz HTBCHQMMAHQABO-VMPITWQZSA-N 1 2 278.311 3.244 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000171890316 623200746 /nfs/dbraw/zinc/20/07/46/623200746.db2.gz RXKCLWAPOQSODV-LBPRGKRZSA-N 1 2 294.468 3.413 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000171890316 623200758 /nfs/dbraw/zinc/20/07/58/623200758.db2.gz RXKCLWAPOQSODV-LBPRGKRZSA-N 1 2 294.468 3.413 20 30 CGEDLO CCCCc1nc(CO[NH+]=C(N)c2ccccc2)cs1 ZINC000063454857 623325072 /nfs/dbraw/zinc/32/50/72/623325072.db2.gz WNTXKZLIJCLLEJ-UHFFFAOYSA-N 1 2 289.404 3.323 20 30 CGEDLO Oc1ccc(/C=[NH+]/CCC2CCCCC2)c(O)c1O ZINC000914701248 623847138 /nfs/dbraw/zinc/84/71/38/623847138.db2.gz CFCAUYINRUCQLE-MHWRWJLKSA-N 1 2 263.337 3.193 20 30 CGEDLO C[C@H](C/[NH+]=C/c1ccccc1O)N1CCc2ccccc21 ZINC000914701515 623847161 /nfs/dbraw/zinc/84/71/61/623847161.db2.gz JOYFQFMLNWHBRF-NFECSFHCSA-N 1 2 280.371 3.262 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993698259 624059079 /nfs/dbraw/zinc/05/90/79/624059079.db2.gz ZLASAHGYJULHDZ-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993698259 624059081 /nfs/dbraw/zinc/05/90/81/624059081.db2.gz ZLASAHGYJULHDZ-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C(/C=C\c1ccco1)=[NH+]n1cnnc1-c1ccccc1 ZINC000920372963 624484347 /nfs/dbraw/zinc/48/43/47/624484347.db2.gz KNFCSWBJPRALQY-DIAYEQPTSA-N 1 2 264.288 3.085 20 30 CGEDLO C#CCCCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921660608 625812161 /nfs/dbraw/zinc/81/21/61/625812161.db2.gz VSHGSQDNLVEAGU-UHFFFAOYSA-N 1 2 281.359 3.436 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2csc(C#N)c2)n1 ZINC000921667253 625814730 /nfs/dbraw/zinc/81/47/30/625814730.db2.gz NOVLXOKDFJEGSG-SECBINFHSA-N 1 2 263.391 3.236 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccccc1F ZINC000757475516 626782037 /nfs/dbraw/zinc/78/20/37/626782037.db2.gz SJZCUOYAZCIBOA-CMDGGOBGSA-N 1 2 266.275 3.370 20 30 CGEDLO O=C1c2c(Cl)cc(Cl)cc2OC/C1=C\c1[nH]cc[nH+]1 ZINC000758913941 626865974 /nfs/dbraw/zinc/86/59/74/626865974.db2.gz TWXLDPDSVSSZLB-XVNBXDOJSA-N 1 2 295.125 3.375 20 30 CGEDLO Cc1ccc(C)c2c1CC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000769746893 627576052 /nfs/dbraw/zinc/57/60/52/627576052.db2.gz QCRONVVNBBKFQB-XFXZXTDPSA-N 1 2 252.317 3.239 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccco3)n21 ZINC000769771564 627577095 /nfs/dbraw/zinc/57/70/95/627577095.db2.gz QMTJQRJGXKDWII-FPLPWBNLSA-N 1 2 252.273 3.132 20 30 CGEDLO Cc1cccc(F)c1NN=Cc1cccc2[nH+]ccn21 ZINC000769828943 627582571 /nfs/dbraw/zinc/58/25/71/627582571.db2.gz YTZUEGKIAOMFQB-UHFFFAOYSA-N 1 2 268.295 3.228 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000769977316 627594559 /nfs/dbraw/zinc/59/45/59/627594559.db2.gz FXACFNHBTVJKJQ-INIZCTEOSA-N 1 2 298.430 3.306 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000769977316 627594562 /nfs/dbraw/zinc/59/45/62/627594562.db2.gz FXACFNHBTVJKJQ-INIZCTEOSA-N 1 2 298.430 3.306 20 30 CGEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccccc1)C1CC1 ZINC000771640566 627724868 /nfs/dbraw/zinc/72/48/68/627724868.db2.gz HXCFWENPFSPIKG-INIZCTEOSA-N 1 2 284.403 3.204 20 30 CGEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccccc1)C1CC1 ZINC000771640566 627724870 /nfs/dbraw/zinc/72/48/70/627724870.db2.gz HXCFWENPFSPIKG-INIZCTEOSA-N 1 2 284.403 3.204 20 30 CGEDLO CC1(C)CCCC[C@@H]1NN=Cc1cccc2[nH+]ccn21 ZINC000773122581 627859354 /nfs/dbraw/zinc/85/93/54/627859354.db2.gz AIDOKXFPYIWMLE-AWEZNQCLSA-N 1 2 270.380 3.227 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000775399488 628090996 /nfs/dbraw/zinc/09/09/96/628090996.db2.gz HVUVLQUASKOPFO-AWEZNQCLSA-N 1 2 293.326 3.184 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1ncc(CC)o1)c1ccccc1 ZINC000775398702 628091151 /nfs/dbraw/zinc/09/11/51/628091151.db2.gz LCAUWSQIXXTGFS-HNNXBMFYSA-N 1 2 254.333 3.091 20 30 CGEDLO Cc1ccc(C#N)nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000775484115 628098614 /nfs/dbraw/zinc/09/86/14/628098614.db2.gz KYWLTLNEQMXMRH-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000776104785 628167424 /nfs/dbraw/zinc/16/74/24/628167424.db2.gz KXGMNNFDDRRZIZ-HZPDHXFCSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000776104785 628167427 /nfs/dbraw/zinc/16/74/27/628167427.db2.gz KXGMNNFDDRRZIZ-HZPDHXFCSA-N 1 2 291.366 3.298 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000776189479 628177982 /nfs/dbraw/zinc/17/79/82/628177982.db2.gz HAJYPUZZQUMAPE-VOTSOKGWSA-N 1 2 277.327 3.188 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000777962522 628315457 /nfs/dbraw/zinc/31/54/57/628315457.db2.gz CURUORPMMRUGPL-OAHLLOKOSA-N 1 2 272.392 3.062 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000777962522 628315461 /nfs/dbraw/zinc/31/54/61/628315461.db2.gz CURUORPMMRUGPL-OAHLLOKOSA-N 1 2 272.392 3.062 20 30 CGEDLO CN1CCCc2cc(C=[NH+]Nc3ccnc(F)c3)ccc21 ZINC000781133498 628540315 /nfs/dbraw/zinc/54/03/15/628540315.db2.gz WXNLMMCURCFFMJ-UHFFFAOYSA-N 1 2 284.338 3.049 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccnc(Cl)c1 ZINC000782195205 628623794 /nfs/dbraw/zinc/62/37/94/628623794.db2.gz UKSXLLOWCPCKDH-SNAWJCMRSA-N 1 2 283.718 3.279 20 30 CGEDLO C#CC[N@@H+](C)Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC000805751469 628746176 /nfs/dbraw/zinc/74/61/76/628746176.db2.gz KCPFZBTUBASQIP-UHFFFAOYSA-N 1 2 294.398 3.342 20 30 CGEDLO C#CC[N@H+](C)Cc1c(C)cc(C)nc1OCc1ccccc1 ZINC000805751469 628746179 /nfs/dbraw/zinc/74/61/79/628746179.db2.gz KCPFZBTUBASQIP-UHFFFAOYSA-N 1 2 294.398 3.342 20 30 CGEDLO N#Cc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1Cl ZINC000783876708 628754352 /nfs/dbraw/zinc/75/43/52/628754352.db2.gz WVIGPANDXGCKNO-UHFFFAOYSA-N 1 2 295.733 3.305 20 30 CGEDLO C#CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000784411531 628813051 /nfs/dbraw/zinc/81/30/51/628813051.db2.gz VGGNAZRIPKQUGK-UHFFFAOYSA-N 1 2 278.193 3.262 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1cccc(Cl)c1Cl ZINC000790299967 629200807 /nfs/dbraw/zinc/20/08/07/629200807.db2.gz NBDWBBVFBGHUMO-UHFFFAOYSA-N 1 2 269.135 3.173 20 30 CGEDLO CCCCCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000790506866 629213904 /nfs/dbraw/zinc/21/39/04/629213904.db2.gz BAKPRKXTBZMRQJ-UHFFFAOYSA-N 1 2 263.385 3.483 20 30 CGEDLO C=CCC1(C(=O)OCc2cccc3[nH+]ccn32)CCC1 ZINC000791836060 629309143 /nfs/dbraw/zinc/30/91/43/629309143.db2.gz NBRMBAOZMBZKPJ-UHFFFAOYSA-N 1 2 270.332 3.124 20 30 CGEDLO C#C[C@@H](NCc1[nH]c(C)c(C)[nH+]1)c1ccc(Cl)cc1 ZINC000862369364 629354318 /nfs/dbraw/zinc/35/43/18/629354318.db2.gz CDYIIUZHVKNBSQ-CQSZACIVSA-N 1 2 273.767 3.144 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(F)cc2)s1 ZINC000794690606 629567713 /nfs/dbraw/zinc/56/77/13/629567713.db2.gz JWKFOMNOKGOLQP-BQYQJAHWSA-N 1 2 290.363 3.240 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(Cl)n1 ZINC000797601819 629968713 /nfs/dbraw/zinc/96/87/13/629968713.db2.gz YWMAVNRDIQLXJJ-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000801916936 630366112 /nfs/dbraw/zinc/36/61/12/630366112.db2.gz KPTMEZBMKCNGDM-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@@H](C#N)OCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000801916936 630366115 /nfs/dbraw/zinc/36/61/15/630366115.db2.gz KPTMEZBMKCNGDM-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO CCc1oc(C[N@H+](CCC#N)CC(C)C)cc1C(=O)OC ZINC000802637133 630400364 /nfs/dbraw/zinc/40/03/64/630400364.db2.gz NJCULJNGYBFVAM-UHFFFAOYSA-N 1 2 292.379 3.000 20 30 CGEDLO CCc1oc(C[N@@H+](CCC#N)CC(C)C)cc1C(=O)OC ZINC000802637133 630400369 /nfs/dbraw/zinc/40/03/69/630400369.db2.gz NJCULJNGYBFVAM-UHFFFAOYSA-N 1 2 292.379 3.000 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3nc(Cl)c(C#N)s3)ccc21 ZINC000804525191 630534841 /nfs/dbraw/zinc/53/48/41/630534841.db2.gz IRBOASVPPYIBTG-UHFFFAOYSA-N 1 2 289.751 3.298 20 30 CGEDLO C=CCCCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811009358 631002071 /nfs/dbraw/zinc/00/20/71/631002071.db2.gz VBGRSDDNDLIVCI-UHFFFAOYSA-N 1 2 270.332 3.385 20 30 CGEDLO C=CCCCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000811012594 631003587 /nfs/dbraw/zinc/00/35/87/631003587.db2.gz PZFMAVAUPPMDGS-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4ccc(C#N)cc4C3=O)n21 ZINC000811692951 631110582 /nfs/dbraw/zinc/11/05/82/631110582.db2.gz DKHKLIZHADWFPN-DHDCSXOGSA-N 1 2 299.333 3.337 20 30 CGEDLO Fc1cccc(N2CCCC2)c1C=[NH+]OC1CCC1 ZINC000812238152 631228680 /nfs/dbraw/zinc/22/86/80/631228680.db2.gz NUTVWZYRODJTPJ-UHFFFAOYSA-N 1 2 262.328 3.329 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc2oncc2c1 ZINC000814841946 631653770 /nfs/dbraw/zinc/65/37/70/631653770.db2.gz ZQWISGIZRPJKRD-UHFFFAOYSA-N 1 2 288.310 3.244 20 30 CGEDLO CC(=[NH+]OC1CCCC1)c1cc(F)c(N)c(F)c1 ZINC000814893786 631668844 /nfs/dbraw/zinc/66/88/44/631668844.db2.gz AWPONCVMDDDCJV-UHFFFAOYSA-N 1 2 254.280 3.230 20 30 CGEDLO COc1cc(N[NH+]=C(C)c2ccc(N)nc2)ccc1Cl ZINC000814919824 631681853 /nfs/dbraw/zinc/68/18/53/631681853.db2.gz QSMBFKIWMUCETK-UHFFFAOYSA-N 1 2 290.754 3.162 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)C#N ZINC000816493193 631992561 /nfs/dbraw/zinc/99/25/61/631992561.db2.gz SBURQEZSGVRDAT-VIFPVBQESA-N 1 2 270.735 3.166 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1 ZINC000820599685 632652848 /nfs/dbraw/zinc/65/28/48/632652848.db2.gz XXFGVIGZTCQYLD-UHFFFAOYSA-N 1 2 266.344 3.486 20 30 CGEDLO COCc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866220376 633033930 /nfs/dbraw/zinc/03/39/30/633033930.db2.gz GGNJEQHGGCKRCY-CYBMUJFWSA-N 1 2 296.370 3.261 20 30 CGEDLO CC(C)c1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)on1 ZINC000866267862 633053682 /nfs/dbraw/zinc/05/36/82/633053682.db2.gz XCXDIWHYHXLHEK-LLVKDONJSA-N 1 2 285.347 3.226 20 30 CGEDLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866288837 633066883 /nfs/dbraw/zinc/06/68/83/633066883.db2.gz PHXAYBXOFMYUJI-CHWSQXEVSA-N 1 2 281.359 3.379 20 30 CGEDLO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000866368666 633105742 /nfs/dbraw/zinc/10/57/42/633105742.db2.gz FJZAWPBTODBTIO-JTQLQIEISA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866393804 633119989 /nfs/dbraw/zinc/11/99/89/633119989.db2.gz SDZQUBGPJXSSTQ-KOLCDFICSA-N 1 2 299.201 3.498 20 30 CGEDLO C=CCC1([NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000827147254 633464288 /nfs/dbraw/zinc/46/42/88/633464288.db2.gz PFHCLHCPECUONV-UHFFFAOYSA-N 1 2 281.783 3.261 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1OC ZINC000828145132 633572675 /nfs/dbraw/zinc/57/26/75/633572675.db2.gz ZHYKJJRWJWOFMR-MRXNPFEDSA-N 1 2 281.359 3.203 20 30 CGEDLO Cc1ccc(N[NH+]=C2CCCc3cc(N)ccc32)nc1 ZINC000834954927 634293096 /nfs/dbraw/zinc/29/30/96/634293096.db2.gz YATVVDFCKDDKDB-UHFFFAOYSA-N 1 2 266.348 3.125 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(OC(F)F)cc2F)CC1 ZINC000876652708 634875410 /nfs/dbraw/zinc/87/54/10/634875410.db2.gz HTZMUVDYRIAWRQ-UHFFFAOYSA-N 1 2 284.281 3.163 20 30 CGEDLO CC(C)[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000876797027 634900517 /nfs/dbraw/zinc/90/05/17/634900517.db2.gz QSQWIQAYGSXFCW-CYBMUJFWSA-N 1 2 295.839 3.180 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000876797027 634900522 /nfs/dbraw/zinc/90/05/22/634900522.db2.gz QSQWIQAYGSXFCW-CYBMUJFWSA-N 1 2 295.839 3.180 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nccc(C)c1Br ZINC000877166126 635005290 /nfs/dbraw/zinc/00/52/90/635005290.db2.gz WEKTVSJNDOQQIW-UHFFFAOYSA-N 1 2 269.186 3.160 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nccc(C)c1Br ZINC000877166126 635005293 /nfs/dbraw/zinc/00/52/93/635005293.db2.gz WEKTVSJNDOQQIW-UHFFFAOYSA-N 1 2 269.186 3.160 20 30 CGEDLO CC(C)[C@@H]1C[C@@H](C/[NH+]=C/c2ccccc2O)CCO1 ZINC000840710100 635038661 /nfs/dbraw/zinc/03/86/61/635038661.db2.gz PMHOMPUVSXAYBM-BJQBZKGYSA-N 1 2 261.365 3.262 20 30 CGEDLO CC(C)[C@@H]1C[C@H](C/[NH+]=C/c2ccccc2O)CCO1 ZINC000840710104 635038912 /nfs/dbraw/zinc/03/89/12/635038912.db2.gz PMHOMPUVSXAYBM-PZKHYMCUSA-N 1 2 261.365 3.262 20 30 CGEDLO C#C[C@H](NCc1[nH+]cc(C)c(OC)c1C)c1ccc(F)cc1 ZINC000877543854 635082177 /nfs/dbraw/zinc/08/21/77/635082177.db2.gz IEENWXZMMDGEGC-INIZCTEOSA-N 1 2 298.361 3.310 20 30 CGEDLO C[C@@H]1CCC[C@@H](C2C[NH+](Cc3nc(C#N)cs3)C2)C1 ZINC000877764012 635192232 /nfs/dbraw/zinc/19/22/32/635192232.db2.gz QRUDCAXFBFTESK-VXGBXAGGSA-N 1 2 275.421 3.273 20 30 CGEDLO COc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1C#N ZINC000877770483 635197111 /nfs/dbraw/zinc/19/71/11/635197111.db2.gz DUSFWYRIDWQMLZ-UHFFFAOYSA-N 1 2 297.358 3.199 20 30 CGEDLO C#CC[N@@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C1CC1 ZINC000878433807 635507061 /nfs/dbraw/zinc/50/70/61/635507061.db2.gz CBKRLOWJJSVNFS-TXEJJXNPSA-N 1 2 287.325 3.022 20 30 CGEDLO C#CC[N@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C1CC1 ZINC000878433807 635507064 /nfs/dbraw/zinc/50/70/64/635507064.db2.gz CBKRLOWJJSVNFS-TXEJJXNPSA-N 1 2 287.325 3.022 20 30 CGEDLO CC1(C)C[N@H+](CC2(CC#N)CC2)C[C@@](C)(C(F)(F)F)O1 ZINC000878652432 635592923 /nfs/dbraw/zinc/59/29/23/635592923.db2.gz QEMCCMZKFXDKOL-LBPRGKRZSA-N 1 2 290.329 3.112 20 30 CGEDLO CC1(C)C[N@@H+](CC2(CC#N)CC2)C[C@@](C)(C(F)(F)F)O1 ZINC000878652432 635592928 /nfs/dbraw/zinc/59/29/28/635592928.db2.gz QEMCCMZKFXDKOL-LBPRGKRZSA-N 1 2 290.329 3.112 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000879311894 635753816 /nfs/dbraw/zinc/75/38/16/635753816.db2.gz YBVLWYBEWBDJQL-WCQYABFASA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000879311894 635753821 /nfs/dbraw/zinc/75/38/21/635753821.db2.gz YBVLWYBEWBDJQL-WCQYABFASA-N 1 2 293.754 3.372 20 30 CGEDLO C=C[C@@H](C)O[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000844625977 635946361 /nfs/dbraw/zinc/94/63/61/635946361.db2.gz WHQRHGLUSHVGHO-GFCCVEGCSA-N 1 2 262.328 3.351 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C3 ZINC000880369795 635983522 /nfs/dbraw/zinc/98/35/22/635983522.db2.gz PRNMSAVDXQRRRA-CHWSQXEVSA-N 1 2 295.386 3.227 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C3 ZINC000880369795 635983526 /nfs/dbraw/zinc/98/35/26/635983526.db2.gz PRNMSAVDXQRRRA-CHWSQXEVSA-N 1 2 295.386 3.227 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000846991231 636302849 /nfs/dbraw/zinc/30/28/49/636302849.db2.gz HCXJDRJRTOSYBX-CZUORRHYSA-N 1 2 295.386 3.449 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000846995827 636303830 /nfs/dbraw/zinc/30/38/30/636303830.db2.gz UNIDGXAMFGGFFC-ZDUSSCGKSA-N 1 2 277.755 3.024 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019138 636313099 /nfs/dbraw/zinc/31/30/99/636313099.db2.gz OZMOZTCPYKEFDZ-UONOGXRCSA-N 1 2 281.359 3.143 20 30 CGEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019138 636313103 /nfs/dbraw/zinc/31/31/03/636313103.db2.gz OZMOZTCPYKEFDZ-UONOGXRCSA-N 1 2 281.359 3.143 20 30 CGEDLO CCc1cccc(Cl)c1C=NNCCCn1cc[nH+]c1 ZINC000848416938 636571143 /nfs/dbraw/zinc/57/11/43/636571143.db2.gz DTUFHHAJHYVWEC-UHFFFAOYSA-N 1 2 290.798 3.113 20 30 CGEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)c2ccccc21 ZINC000848418261 636572758 /nfs/dbraw/zinc/57/27/58/636572758.db2.gz KLTYIWWQKYMEIF-CQSZACIVSA-N 1 2 282.391 3.164 20 30 CGEDLO Cc1ccc(CC(=NNCCCn2cc[nH+]c2)C2CC2)cc1 ZINC000848418843 636573167 /nfs/dbraw/zinc/57/31/67/636573167.db2.gz WEIONWJTCGQREQ-UHFFFAOYSA-N 1 2 296.418 3.180 20 30 CGEDLO C[C@H]1CC(=NNCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000848420283 636573855 /nfs/dbraw/zinc/57/38/55/636573855.db2.gz VPPLBKLEGUGRBS-ZDUSSCGKSA-N 1 2 262.401 3.065 20 30 CGEDLO C=CCCCCC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000848558979 636605324 /nfs/dbraw/zinc/60/53/24/636605324.db2.gz WTIRAPZBJFLHAO-KBPBESRZSA-N 1 2 292.427 3.271 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1cccc(C#N)c1O ZINC000883249239 636619789 /nfs/dbraw/zinc/61/97/89/636619789.db2.gz ZKDQJHXTAZYCID-OCCSQVGLSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccc(C#N)c1O ZINC000883257337 636627225 /nfs/dbraw/zinc/62/72/25/636627225.db2.gz YQHCNAVJLAHGAN-JTQLQIEISA-N 1 2 280.318 3.350 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000134987586 637060990 /nfs/dbraw/zinc/06/09/90/637060990.db2.gz OBZKEFQZQPPRFK-QGZVFWFLSA-N 1 2 283.375 3.091 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCOC2(C)C)c1O ZINC000852997879 637726471 /nfs/dbraw/zinc/72/64/71/637726471.db2.gz DHDWLRDTUVMKCC-VZWMTCDZSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)c1ccncc1 ZINC000853412896 637839155 /nfs/dbraw/zinc/83/91/55/637839155.db2.gz JPKUAGADHONIIS-HNNXBMFYSA-N 1 2 295.386 3.484 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H]1CCCCO1 ZINC000853473534 637851208 /nfs/dbraw/zinc/85/12/08/637851208.db2.gz QRLKTSDOABGYBH-HNNXBMFYSA-N 1 2 288.391 3.245 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C)sc1=S ZINC000853599118 637871365 /nfs/dbraw/zinc/87/13/65/637871365.db2.gz KOEWJVUIYHRFFG-PHIMTYICSA-N 1 2 267.423 3.123 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)sc1=S ZINC000853599118 637871370 /nfs/dbraw/zinc/87/13/70/637871370.db2.gz KOEWJVUIYHRFFG-PHIMTYICSA-N 1 2 267.423 3.123 20 30 CGEDLO CN(C)c1cc(CSCCc2ccc(C#N)cc2)cc[nH+]1 ZINC000853772671 637917169 /nfs/dbraw/zinc/91/71/69/637917169.db2.gz XBRYBJDFUZZNGW-UHFFFAOYSA-N 1 2 297.427 3.495 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccccc1O)c1cccc(C#N)c1O ZINC000924897254 638421063 /nfs/dbraw/zinc/42/10/63/638421063.db2.gz GFKDASUEJNVMRY-INIZCTEOSA-N 1 2 296.370 3.253 20 30 CGEDLO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc(C#N)c1O ZINC000925516994 638517008 /nfs/dbraw/zinc/51/70/08/638517008.db2.gz WFFSTOBYBXZKKB-OAHLLOKOSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+][C@H]1C[C@H](SC)C1)c1cccc(C#N)c1O ZINC000926792892 638812683 /nfs/dbraw/zinc/81/26/83/638812683.db2.gz WIJHCISDXNEJBC-OBJOEFQTSA-N 1 2 276.405 3.199 20 30 CGEDLO C[N@H+](CCC#N)C[C@@H]1CCC2(CCCCCC2)O1 ZINC000929808065 638953289 /nfs/dbraw/zinc/95/32/89/638953289.db2.gz CFQGHDVGASJFDK-AWEZNQCLSA-N 1 2 250.386 3.104 20 30 CGEDLO C[N@@H+](CCC#N)C[C@@H]1CCC2(CCCCCC2)O1 ZINC000929808065 638953292 /nfs/dbraw/zinc/95/32/92/638953292.db2.gz CFQGHDVGASJFDK-AWEZNQCLSA-N 1 2 250.386 3.104 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc(N(C)C)c2ccccc12 ZINC000929833486 638955699 /nfs/dbraw/zinc/95/56/99/638955699.db2.gz YWZLNURZYTYCDJ-ZDUSSCGKSA-N 1 2 282.391 3.035 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc(N(C)C)c2ccccc12 ZINC000929833486 638955700 /nfs/dbraw/zinc/95/57/00/638955700.db2.gz YWZLNURZYTYCDJ-ZDUSSCGKSA-N 1 2 282.391 3.035 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000930470751 639005502 /nfs/dbraw/zinc/00/55/02/639005502.db2.gz YXIWQBCNFOFCPD-CQSZACIVSA-N 1 2 294.345 3.031 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000930470751 639005505 /nfs/dbraw/zinc/00/55/05/639005505.db2.gz YXIWQBCNFOFCPD-CQSZACIVSA-N 1 2 294.345 3.031 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000932158340 639278995 /nfs/dbraw/zinc/27/89/95/639278995.db2.gz DGSZTHGHMWVBDF-LBPRGKRZSA-N 1 2 266.291 3.024 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000932158340 639278999 /nfs/dbraw/zinc/27/89/99/639278999.db2.gz DGSZTHGHMWVBDF-LBPRGKRZSA-N 1 2 266.291 3.024 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932157590 639279610 /nfs/dbraw/zinc/27/96/10/639279610.db2.gz LGYCVGNZTGLYJF-AWEZNQCLSA-N 1 2 267.376 3.223 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932157590 639279617 /nfs/dbraw/zinc/27/96/17/639279617.db2.gz LGYCVGNZTGLYJF-AWEZNQCLSA-N 1 2 267.376 3.223 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000080306549 640465436 /nfs/dbraw/zinc/46/54/36/640465436.db2.gz CLBYHFFSABNECI-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749814 640974685 /nfs/dbraw/zinc/97/46/85/640974685.db2.gz PCBASVDQHYMPOW-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749814 640974692 /nfs/dbraw/zinc/97/46/92/640974692.db2.gz PCBASVDQHYMPOW-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)C(C)(C)C ZINC001157585391 805840488 /nfs/dbraw/zinc/84/04/88/805840488.db2.gz FIWNHJIXGGSMNY-CMDGGOBGSA-N 1 2 288.391 3.367 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H]2CCNc3ccccc32)c1 ZINC001157837828 805883860 /nfs/dbraw/zinc/88/38/60/805883860.db2.gz SRSRMINIXOKUKY-HNNXBMFYSA-N 1 2 264.332 3.116 20 30 CGEDLO CCOc1cc[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001158953850 806026618 /nfs/dbraw/zinc/02/66/18/806026618.db2.gz TYINIRFFPPATKY-UHFFFAOYSA-N 1 2 260.337 3.165 20 30 CGEDLO C=C[C@](C)(O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001252543083 806059470 /nfs/dbraw/zinc/05/94/70/806059470.db2.gz NNCGSMILJLPDFO-AWEZNQCLSA-N 1 2 262.740 3.237 20 30 CGEDLO Cc1nc(NCC#Cc2ccccc2)cc(C(C)C)[nH+]1 ZINC001159371245 806088347 /nfs/dbraw/zinc/08/83/47/806088347.db2.gz UZHNPEBUPIMQAK-UHFFFAOYSA-N 1 2 265.360 3.372 20 30 CGEDLO CCCCCCCCCC[C@@H](O)CN1CC[NH+](C)CC1 ZINC001252978705 806143409 /nfs/dbraw/zinc/14/34/09/806143409.db2.gz DEPWMCKZNNMBMZ-QGZVFWFLSA-N 1 2 284.488 3.126 20 30 CGEDLO COc1c[nH+]c(N[C@@H]2CCc3c2cccc3C#N)c(C)c1 ZINC001159914043 806198111 /nfs/dbraw/zinc/19/81/11/806198111.db2.gz DMSWZNKHPRIVAA-MRXNPFEDSA-N 1 2 279.343 3.370 20 30 CGEDLO O=C1C=C2C[N@H+](C3CCc4ccccc4CC3)CC[C@H]2S1 ZINC001254458262 806410172 /nfs/dbraw/zinc/41/01/72/806410172.db2.gz NWCJPSBLYRWWTD-QGZVFWFLSA-N 1 2 299.439 3.208 20 30 CGEDLO O=C1C=C2C[N@@H+](C3CCc4ccccc4CC3)CC[C@H]2S1 ZINC001254458262 806410175 /nfs/dbraw/zinc/41/01/75/806410175.db2.gz NWCJPSBLYRWWTD-QGZVFWFLSA-N 1 2 299.439 3.208 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001255156778 806558207 /nfs/dbraw/zinc/55/82/07/806558207.db2.gz NMOSANMSDXVCSS-QWHCGFSZSA-N 1 2 287.190 3.309 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC001255173517 806566138 /nfs/dbraw/zinc/56/61/38/806566138.db2.gz BODKBXOROQPCER-INIZCTEOSA-N 1 2 271.408 3.118 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255347851 806624156 /nfs/dbraw/zinc/62/41/56/806624156.db2.gz GPOLKHPJXJKEFM-JSGCOSHPSA-N 1 2 279.355 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)C2CC2)c(F)c1 ZINC000045005099 798890354 /nfs/dbraw/zinc/89/03/54/798890354.db2.gz YRXXZHADNBXRPZ-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)c(F)c1 ZINC000045005099 798890361 /nfs/dbraw/zinc/89/03/61/798890361.db2.gz YRXXZHADNBXRPZ-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255033933 799169653 /nfs/dbraw/zinc/16/96/53/799169653.db2.gz NAUQJDZDIAQTJK-HJWRWDBZSA-N 1 2 273.295 3.102 20 30 CGEDLO COc1c(F)cccc1[C@H](C)Nc1cc(CC#N)cc[nH+]1 ZINC001163338478 806742323 /nfs/dbraw/zinc/74/23/23/806742323.db2.gz TXSRAERJBNNKPC-NSHDSACASA-N 1 2 285.322 3.468 20 30 CGEDLO COc1c(F)cccc1[C@@H](C)Nc1cc(CC#N)cc[nH+]1 ZINC001163338477 806742404 /nfs/dbraw/zinc/74/24/04/806742404.db2.gz TXSRAERJBNNKPC-LLVKDONJSA-N 1 2 285.322 3.468 20 30 CGEDLO O=C1c2c(cc(F)cc2F)O/C1=C/c1cccc2[nH+]ccn21 ZINC000588450244 799695974 /nfs/dbraw/zinc/69/59/74/799695974.db2.gz QESKEYBZOXHDQY-MDWZMJQESA-N 1 2 298.248 3.229 20 30 CGEDLO CC1(CC/[NH+]=C\c2c(O)ccc3ccccc32)OCCO1 ZINC000588451440 799697091 /nfs/dbraw/zinc/69/70/91/799697091.db2.gz QYFVDGPYKLNDJM-PDGQHHTCSA-N 1 2 285.343 3.117 20 30 CGEDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000724377186 800358745 /nfs/dbraw/zinc/35/87/45/800358745.db2.gz SWEOYLGLYRTJCO-UHFFFAOYSA-N 1 2 269.348 3.134 20 30 CGEDLO C[C@H](Cc1cccc(Br)c1)[NH+]1CC(CC#N)C1 ZINC001256179205 806844169 /nfs/dbraw/zinc/84/41/69/806844169.db2.gz AWCGPQASJUFDQZ-LLVKDONJSA-N 1 2 293.208 3.226 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934509854 800678588 /nfs/dbraw/zinc/67/85/88/800678588.db2.gz QLIGMXQWSNFCNE-OAHLLOKOSA-N 1 2 281.359 3.033 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934509854 800678592 /nfs/dbraw/zinc/67/85/92/800678592.db2.gz QLIGMXQWSNFCNE-OAHLLOKOSA-N 1 2 281.359 3.033 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001028201886 800835137 /nfs/dbraw/zinc/83/51/37/800835137.db2.gz OCCWUJJSJSGVSZ-CYBMUJFWSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001028201886 800835142 /nfs/dbraw/zinc/83/51/42/800835142.db2.gz OCCWUJJSJSGVSZ-CYBMUJFWSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001031446229 800911244 /nfs/dbraw/zinc/91/12/44/800911244.db2.gz QUJSKYDQZLDZOP-CQSZACIVSA-N 1 2 286.419 3.190 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033185913 800955702 /nfs/dbraw/zinc/95/57/02/800955702.db2.gz WILTWDCNRSNQBI-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033185913 800955707 /nfs/dbraw/zinc/95/57/07/800955707.db2.gz WILTWDCNRSNQBI-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039446790 801162207 /nfs/dbraw/zinc/16/22/07/801162207.db2.gz RNABSKDUSPOYRC-KFWWJZLASA-N 1 2 298.858 3.096 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039446790 801162212 /nfs/dbraw/zinc/16/22/12/801162212.db2.gz RNABSKDUSPOYRC-KFWWJZLASA-N 1 2 298.858 3.096 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550765 801314803 /nfs/dbraw/zinc/31/48/03/801314803.db2.gz JJCMNMUGNBVMJF-CZUORRHYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550765 801314810 /nfs/dbraw/zinc/31/48/10/801314810.db2.gz JJCMNMUGNBVMJF-CZUORRHYSA-N 1 2 298.858 3.146 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001117717353 802481809 /nfs/dbraw/zinc/48/18/09/802481809.db2.gz IDSGOPCGRATKKZ-UHFFFAOYSA-N 1 2 290.710 3.276 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC1CC2(CC2(F)F)C1 ZINC001118541717 802580861 /nfs/dbraw/zinc/58/08/61/802580861.db2.gz UCXCHBOOIUONQT-UHFFFAOYSA-N 1 2 292.329 3.474 20 30 CGEDLO COc1ccc(-c2ccc3[nH+]ccn3c2C)c(C#N)c1 ZINC001243732284 802971753 /nfs/dbraw/zinc/97/17/53/802971753.db2.gz MBRLWKKBXGQADF-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(N)c(C#N)c1 ZINC001244117826 803195335 /nfs/dbraw/zinc/19/53/35/803195335.db2.gz IQEMNUDFELTEHU-UHFFFAOYSA-N 1 2 290.326 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397773 803400798 /nfs/dbraw/zinc/40/07/98/803400798.db2.gz WMNJXUYZBAQNJA-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397773 803400803 /nfs/dbraw/zinc/40/08/03/803400803.db2.gz WMNJXUYZBAQNJA-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO N#Cc1c(Cl)cccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244735893 803516092 /nfs/dbraw/zinc/51/60/92/803516092.db2.gz YSOPVINRRNQGLG-UHFFFAOYSA-N 1 2 269.735 3.274 20 30 CGEDLO Cc1ccc2nc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001137218886 803699132 /nfs/dbraw/zinc/69/91/32/803699132.db2.gz PWLOXGNFWSHOAF-KRWDZBQOSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2nc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001137218886 803699138 /nfs/dbraw/zinc/69/91/38/803699138.db2.gz PWLOXGNFWSHOAF-KRWDZBQOSA-N 1 2 265.360 3.279 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(C#N)c1 ZINC001137699871 803760794 /nfs/dbraw/zinc/76/07/94/803760794.db2.gz XXXREFPVORGQKV-UHFFFAOYSA-N 1 2 298.308 3.341 20 30 CGEDLO C=CCOCc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245540084 803798886 /nfs/dbraw/zinc/79/88/86/803798886.db2.gz NDKFWIXFRCUKDY-UHFFFAOYSA-N 1 2 254.333 3.342 20 30 CGEDLO N#CCC1C[NH+](Cc2c(Cl)[nH]c3ccccc32)C1 ZINC001138685047 804004458 /nfs/dbraw/zinc/00/44/58/804004458.db2.gz YRULVPXZFFMQKS-UHFFFAOYSA-N 1 2 259.740 3.167 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC001139527315 804202126 /nfs/dbraw/zinc/20/21/26/804202126.db2.gz FBWLVAFNXAEURN-UHFFFAOYSA-N 1 2 259.328 3.213 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC001139527315 804202133 /nfs/dbraw/zinc/20/21/33/804202133.db2.gz FBWLVAFNXAEURN-UHFFFAOYSA-N 1 2 259.328 3.213 20 30 CGEDLO C=CCn1cc(C[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC001139772564 804277562 /nfs/dbraw/zinc/27/75/62/804277562.db2.gz KYWHPRMOUBHHMO-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C=CCn1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC001139772564 804277569 /nfs/dbraw/zinc/27/75/69/804277569.db2.gz KYWHPRMOUBHHMO-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(OC)s1)Cc1ccccc1 ZINC001139818962 804288654 /nfs/dbraw/zinc/28/86/54/804288654.db2.gz SQDOSOAYNUWOJD-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@H+](Cc1cnc(OC)s1)Cc1ccccc1 ZINC001139818962 804288658 /nfs/dbraw/zinc/28/86/58/804288658.db2.gz SQDOSOAYNUWOJD-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc2ccccc2n1C ZINC001139870536 804302897 /nfs/dbraw/zinc/30/28/97/804302897.db2.gz LSRZHTIPYXXWBB-UHFFFAOYSA-N 1 2 255.365 3.304 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc2ccccc2n1C ZINC001139870536 804302911 /nfs/dbraw/zinc/30/29/11/804302911.db2.gz LSRZHTIPYXXWBB-UHFFFAOYSA-N 1 2 255.365 3.304 20 30 CGEDLO Cc1ccc(Cl)nc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001140442969 804434887 /nfs/dbraw/zinc/43/48/87/804434887.db2.gz VLJZWVNAKAHKDJ-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1ccc(Cl)nc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001140442969 804434891 /nfs/dbraw/zinc/43/48/91/804434891.db2.gz VLJZWVNAKAHKDJ-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO COc1cc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1 ZINC001140827586 804530297 /nfs/dbraw/zinc/53/02/97/804530297.db2.gz DOXDKEAFSUJKSF-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1 ZINC001140827586 804530302 /nfs/dbraw/zinc/53/03/02/804530302.db2.gz DOXDKEAFSUJKSF-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001140827587 804530633 /nfs/dbraw/zinc/53/06/33/804530633.db2.gz DQYVFQHTCMPGFW-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001140827587 804530635 /nfs/dbraw/zinc/53/06/35/804530635.db2.gz DQYVFQHTCMPGFW-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO N#CCC[N@@H+](Cc1c(N)cccc1F)C1CCCC1 ZINC001140875045 804538581 /nfs/dbraw/zinc/53/85/81/804538581.db2.gz SUASIEOLMBRUEJ-UHFFFAOYSA-N 1 2 261.344 3.066 20 30 CGEDLO N#CCC[N@H+](Cc1c(N)cccc1F)C1CCCC1 ZINC001140875045 804538586 /nfs/dbraw/zinc/53/85/86/804538586.db2.gz SUASIEOLMBRUEJ-UHFFFAOYSA-N 1 2 261.344 3.066 20 30 CGEDLO CC(C)OC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143172953 804814936 /nfs/dbraw/zinc/81/49/36/804814936.db2.gz HHRXFPYLJWCUBA-UHFFFAOYSA-N 1 2 294.345 3.226 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)cc(OC(F)(F)F)c1 ZINC001143462221 804855683 /nfs/dbraw/zinc/85/56/83/804855683.db2.gz CZGFZFVMQHWXJV-UHFFFAOYSA-N 1 2 272.270 3.239 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)cc(OC(F)(F)F)c1 ZINC001143462221 804855688 /nfs/dbraw/zinc/85/56/88/804855688.db2.gz CZGFZFVMQHWXJV-UHFFFAOYSA-N 1 2 272.270 3.239 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001143939997 804910876 /nfs/dbraw/zinc/91/08/76/804910876.db2.gz RRZUWNOBNHDAEN-UHFFFAOYSA-N 1 2 296.374 3.449 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143941776 804911473 /nfs/dbraw/zinc/91/14/73/804911473.db2.gz AUUGUTBEKNMQJT-LBPRGKRZSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143941776 804911475 /nfs/dbraw/zinc/91/14/75/804911475.db2.gz AUUGUTBEKNMQJT-LBPRGKRZSA-N 1 2 279.330 3.209 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(C(=O)OC)s1)C1CCCCC1 ZINC001249466257 805155750 /nfs/dbraw/zinc/15/57/50/805155750.db2.gz MUSQFNYXKYQCBL-UHFFFAOYSA-N 1 2 294.420 3.250 20 30 CGEDLO C=CC[N@H+](Cc1ncc(C(=O)OC)s1)C1CCCCC1 ZINC001249466257 805155755 /nfs/dbraw/zinc/15/57/55/805155755.db2.gz MUSQFNYXKYQCBL-UHFFFAOYSA-N 1 2 294.420 3.250 20 30 CGEDLO C[C@@H](C#N)c1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001148612855 805199241 /nfs/dbraw/zinc/19/92/41/805199241.db2.gz BWLKTDKCQCSZDB-LBPRGKRZSA-N 1 2 290.326 3.214 20 30 CGEDLO N#Cc1ccccc1Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250047176 805386734 /nfs/dbraw/zinc/38/67/34/805386734.db2.gz CINQGTJRDLMUME-UHFFFAOYSA-N 1 2 273.339 3.394 20 30 CGEDLO C[C@@H](C#N)c1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001154522298 805461948 /nfs/dbraw/zinc/46/19/48/805461948.db2.gz UVMNHIACGMOPHE-LBPRGKRZSA-N 1 2 290.326 3.214 20 30 CGEDLO N#Cc1ccc(C(=O)Cc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001250208820 805491274 /nfs/dbraw/zinc/49/12/74/805491274.db2.gz BMIKDPNANSUMIH-UHFFFAOYSA-N 1 2 287.322 3.374 20 30 CGEDLO CC(C)N(CC1CC1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166619704 807070836 /nfs/dbraw/zinc/07/08/36/807070836.db2.gz NZQJRCKBZMBFKB-UHFFFAOYSA-N 1 2 254.337 3.059 20 30 CGEDLO CCC[C@H](C)CC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257463388 807169518 /nfs/dbraw/zinc/16/95/18/807169518.db2.gz MRJTWAWCNILDOI-AVGNSLFASA-N 1 2 275.458 3.042 20 30 CGEDLO COCCOc1cc(N[C@@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC001167709686 807230694 /nfs/dbraw/zinc/23/06/94/807230694.db2.gz VXRSUEYRPRPJII-ZDUSSCGKSA-N 1 2 297.358 3.152 20 30 CGEDLO C[C@H](Nc1ccc2c([nH+]1)CCOC2)c1cccc(C#N)c1 ZINC001167707444 807230742 /nfs/dbraw/zinc/23/07/42/807230742.db2.gz WOAUUJMTVJZTCY-LBPRGKRZSA-N 1 2 279.343 3.199 20 30 CGEDLO CCC[N@H+](CCC#N)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257963586 807257961 /nfs/dbraw/zinc/25/79/61/807257961.db2.gz MCMWFXBMKVEFOL-AWEZNQCLSA-N 1 2 278.783 3.269 20 30 CGEDLO CCC[N@@H+](CCC#N)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257963586 807257966 /nfs/dbraw/zinc/25/79/66/807257966.db2.gz MCMWFXBMKVEFOL-AWEZNQCLSA-N 1 2 278.783 3.269 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001258024145 807268246 /nfs/dbraw/zinc/26/82/46/807268246.db2.gz OSJYUSWTPAUVOA-XUJLQICISA-N 1 2 280.412 3.026 20 30 CGEDLO O=C1C=C2C[N@H+](C3CCCCCCC3)CC[C@@H]2S1 ZINC001258237462 807382555 /nfs/dbraw/zinc/38/25/55/807382555.db2.gz LHKOOAXBOKLXMC-AWEZNQCLSA-N 1 2 265.422 3.373 20 30 CGEDLO O=C1C=C2C[N@@H+](C3CCCCCCC3)CC[C@@H]2S1 ZINC001258237462 807382563 /nfs/dbraw/zinc/38/25/63/807382563.db2.gz LHKOOAXBOKLXMC-AWEZNQCLSA-N 1 2 265.422 3.373 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734986 807499563 /nfs/dbraw/zinc/49/95/63/807499563.db2.gz NPFLKZASBPNGFN-YPMHNXCESA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734986 807499564 /nfs/dbraw/zinc/49/95/64/807499564.db2.gz NPFLKZASBPNGFN-YPMHNXCESA-N 1 2 260.768 3.043 20 30 CGEDLO CCOc1cc(Nc2ccc(OC)cc2C#N)cc(C)[nH+]1 ZINC001212780879 815134928 /nfs/dbraw/zinc/13/49/28/815134928.db2.gz MXSMIGBEIRNRMW-UHFFFAOYSA-N 1 2 283.331 3.413 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1cnccn1 ZINC001169526106 807654624 /nfs/dbraw/zinc/65/46/24/807654624.db2.gz LSYPXZONAXSDHO-LBPRGKRZSA-N 1 2 254.337 3.082 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169665446 807683449 /nfs/dbraw/zinc/68/34/49/807683449.db2.gz YVIGNXZSZKFZIZ-CQSZACIVSA-N 1 2 294.370 3.284 20 30 CGEDLO C#C[C@](C)(CC)Nc1ccc2c(cccc2OC)[nH+]1 ZINC001169694049 807689541 /nfs/dbraw/zinc/68/95/41/807689541.db2.gz ZZSRBZXKQJQDLI-MRXNPFEDSA-N 1 2 254.333 3.457 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)c1=S ZINC001261364080 807738388 /nfs/dbraw/zinc/73/83/88/807738388.db2.gz XRRNQLHKHXWNLL-ZDUSSCGKSA-N 1 2 294.468 3.316 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c1=S ZINC001261364080 807738391 /nfs/dbraw/zinc/73/83/91/807738391.db2.gz XRRNQLHKHXWNLL-ZDUSSCGKSA-N 1 2 294.468 3.316 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378731 807832739 /nfs/dbraw/zinc/83/27/39/807832739.db2.gz JPLCHXZWGJXEEL-ADKAHSJRSA-N 1 2 279.387 3.379 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378731 807832745 /nfs/dbraw/zinc/83/27/45/807832745.db2.gz JPLCHXZWGJXEEL-ADKAHSJRSA-N 1 2 279.387 3.379 20 30 CGEDLO Cn1c[nH+]c2ccc(NCC#Cc3ccccc3)cc21 ZINC001170427859 807840673 /nfs/dbraw/zinc/84/06/73/807840673.db2.gz ZYRXBAUHKHOYGI-UHFFFAOYSA-N 1 2 261.328 3.037 20 30 CGEDLO N#Cc1cccc2c1CC[C@H]2Nc1ccc2c([nH+]1)CCOC2 ZINC001171061554 807977756 /nfs/dbraw/zinc/97/77/56/807977756.db2.gz YEKIIISVVIIXDP-QGZVFWFLSA-N 1 2 291.354 3.125 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@H]1C#N)C2 ZINC001171571213 808101093 /nfs/dbraw/zinc/10/10/93/808101093.db2.gz VIRIZGVAWZVEOL-HOTGVXAUSA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@H]1C#N)C2 ZINC001171571213 808101097 /nfs/dbraw/zinc/10/10/97/808101097.db2.gz VIRIZGVAWZVEOL-HOTGVXAUSA-N 1 2 254.377 3.230 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001265312919 808130711 /nfs/dbraw/zinc/13/07/11/808130711.db2.gz XJDAHGMCVVGTLZ-TZMCWYRMSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001265312919 808130714 /nfs/dbraw/zinc/13/07/14/808130714.db2.gz XJDAHGMCVVGTLZ-TZMCWYRMSA-N 1 2 286.847 3.002 20 30 CGEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171791852 808141677 /nfs/dbraw/zinc/14/16/77/808141677.db2.gz CHSKSVRTCGLOEM-INIZCTEOSA-N 1 2 295.361 3.104 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171791852 808141683 /nfs/dbraw/zinc/14/16/83/808141683.db2.gz CHSKSVRTCGLOEM-INIZCTEOSA-N 1 2 295.361 3.104 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001266327924 808243692 /nfs/dbraw/zinc/24/36/92/808243692.db2.gz OPXHDKAZPSZOTD-OCCSQVGLSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001266327924 808243697 /nfs/dbraw/zinc/24/36/97/808243697.db2.gz OPXHDKAZPSZOTD-OCCSQVGLSA-N 1 2 286.847 3.002 20 30 CGEDLO CCCCCCC[C@H](CC)[NH2+]C1(C(=O)OC)CC1 ZINC001172346215 808244471 /nfs/dbraw/zinc/24/44/71/808244471.db2.gz HEEIOVMRDCUFLL-ZDUSSCGKSA-N 1 2 255.402 3.421 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001266461348 808269439 /nfs/dbraw/zinc/26/94/39/808269439.db2.gz NUFRMNAOFXCDJT-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001266461348 808269445 /nfs/dbraw/zinc/26/94/45/808269445.db2.gz NUFRMNAOFXCDJT-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172554695 808382617 /nfs/dbraw/zinc/38/26/17/808382617.db2.gz ZWYRGSGJZBNOFV-OAGGEKHMSA-N 1 2 273.376 3.030 20 30 CGEDLO N#Cc1c(F)ccc(Nc2cccc3[nH+]c[nH]c32)c1F ZINC001213032584 815206735 /nfs/dbraw/zinc/20/67/35/815206735.db2.gz NHTVNXOYVYTKHD-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)CC2 ZINC001172829153 808450034 /nfs/dbraw/zinc/45/00/34/808450034.db2.gz ATTNQKCFWVVIHT-SJORKVTESA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)CC2 ZINC001172829153 808450038 /nfs/dbraw/zinc/45/00/38/808450038.db2.gz ATTNQKCFWVVIHT-SJORKVTESA-N 1 2 299.439 3.126 20 30 CGEDLO CC(C)(C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173191762 808533913 /nfs/dbraw/zinc/53/39/13/808533913.db2.gz AIEDSEHZTVVPRL-UHFFFAOYSA-N 1 2 258.365 3.268 20 30 CGEDLO CC1(C#N)C[NH+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173199829 808535788 /nfs/dbraw/zinc/53/57/88/808535788.db2.gz IWTSRJUDKMVVLK-UHFFFAOYSA-N 1 2 270.376 3.222 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1CCCC2(CCCCC2)C1)C(=O)OC ZINC001173341713 808621153 /nfs/dbraw/zinc/62/11/53/808621153.db2.gz PVYNCTNNHKCVNB-GJZGRUSLSA-N 1 2 277.408 3.034 20 30 CGEDLO CC(=O)Nc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1C#N ZINC001174411541 809004822 /nfs/dbraw/zinc/00/48/22/809004822.db2.gz BBFVJHKWFCNQNE-UHFFFAOYSA-N 1 2 291.314 3.088 20 30 CGEDLO CCCCCCC/C=C/C[NH+]1CC2(CCN2C)C1 ZINC001276457764 809010340 /nfs/dbraw/zinc/01/03/40/809010340.db2.gz TYHMQNTWFNSIQJ-MDZDMXLPSA-N 1 2 250.430 3.293 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001276601161 809018321 /nfs/dbraw/zinc/01/83/21/809018321.db2.gz MCMMKJQLXHRBOM-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001276601161 809018325 /nfs/dbraw/zinc/01/83/25/809018325.db2.gz MCMMKJQLXHRBOM-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO CCc1[nH+]ccc(C)c1Nc1ccc(C#N)cc1N ZINC001213355529 815269248 /nfs/dbraw/zinc/26/92/48/815269248.db2.gz GQZXPXYEFCFMLD-UHFFFAOYSA-N 1 2 252.321 3.150 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(OC(C)C)c2)cc[nH+]1 ZINC001175140562 809286105 /nfs/dbraw/zinc/28/61/05/809286105.db2.gz QLYRVAICEQRNHJ-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCCCC)cc2)cc[nH+]1 ZINC001175241393 809320915 /nfs/dbraw/zinc/32/09/15/809320915.db2.gz DLOOTXYQVQMGJW-UHFFFAOYSA-N 1 2 266.344 3.407 20 30 CGEDLO CN(C)c1ccc(Nc2cc(F)c(C#N)c(F)c2)c[nH+]1 ZINC001175343245 809368680 /nfs/dbraw/zinc/36/86/80/809368680.db2.gz BVODDMIXGHKMKM-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO C#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175349731 809372526 /nfs/dbraw/zinc/37/25/26/809372526.db2.gz DTJIJUATPOSPCK-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO C[N@@H+]1CCCC(=Nc2oc(-c3ccccc3)cc2C#N)C1 ZINC001175575514 809457619 /nfs/dbraw/zinc/45/76/19/809457619.db2.gz YPRSNJBVVANYDY-UHFFFAOYSA-N 1 2 279.343 3.450 20 30 CGEDLO C[N@H+]1CCCC(=Nc2oc(-c3ccccc3)cc2C#N)C1 ZINC001175575514 809457623 /nfs/dbraw/zinc/45/76/23/809457623.db2.gz YPRSNJBVVANYDY-UHFFFAOYSA-N 1 2 279.343 3.450 20 30 CGEDLO N#Cc1cc(F)cc(Nc2cccc3[nH+]ccn32)c1 ZINC001175678607 809501890 /nfs/dbraw/zinc/50/18/90/809501890.db2.gz AFJMMHUDNPAGCJ-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2-c2ccccc2)c1C ZINC001213524622 815297428 /nfs/dbraw/zinc/29/74/28/815297428.db2.gz ALDBMQSQQWREFS-UHFFFAOYSA-N 1 2 289.342 3.499 20 30 CGEDLO Cc1coc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001176749025 809756486 /nfs/dbraw/zinc/75/64/86/809756486.db2.gz PEVKKDOHYKVISM-UHFFFAOYSA-N 1 2 268.320 3.199 20 30 CGEDLO COc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1 ZINC001176750712 809757438 /nfs/dbraw/zinc/75/74/38/809757438.db2.gz JEXUEYRNTYTWBB-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1cnc(C#N)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001176749760 809757624 /nfs/dbraw/zinc/75/76/24/809757624.db2.gz JLMUYVBVJDJUSU-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1C#N ZINC001184967556 810225828 /nfs/dbraw/zinc/22/58/28/810225828.db2.gz GPJLTYZJFYWHOT-UHFFFAOYSA-N 1 2 289.342 3.169 20 30 CGEDLO COc1ccc(C#N)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184967443 810225881 /nfs/dbraw/zinc/22/58/81/810225881.db2.gz CLYXPEGIPFFHBH-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1ccc(Nc2c(C#N)cnn2C(C)C)c(C)[nH+]1 ZINC001203370692 812328467 /nfs/dbraw/zinc/32/84/67/812328467.db2.gz SGWCNNRAKUXGDP-UHFFFAOYSA-N 1 2 255.325 3.091 20 30 CGEDLO Cc1c[nH+]c(C)c(-n2cc(C#N)c3cc(N)ccc32)c1 ZINC001203667559 812424290 /nfs/dbraw/zinc/42/42/90/812424290.db2.gz OIAUXDNDXZHZED-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001203756822 812454827 /nfs/dbraw/zinc/45/48/27/812454827.db2.gz DGGGVYMHCSGLIC-ZDUSSCGKSA-N 1 2 268.282 3.127 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001203756822 812454831 /nfs/dbraw/zinc/45/48/31/812454831.db2.gz DGGGVYMHCSGLIC-ZDUSSCGKSA-N 1 2 268.282 3.127 20 30 CGEDLO COC(C)(C)CCC[C@H](C)CC[NH+]1CC(C)(C#N)C1 ZINC001208202771 813744502 /nfs/dbraw/zinc/74/45/02/813744502.db2.gz NJRBEHKXVUVWQK-AWEZNQCLSA-N 1 2 266.429 3.453 20 30 CGEDLO C#CCCC[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001209267954 813988857 /nfs/dbraw/zinc/98/88/57/813988857.db2.gz OKVOBXCWUFXYOV-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001209267954 813988863 /nfs/dbraw/zinc/98/88/63/813988863.db2.gz OKVOBXCWUFXYOV-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692770 814113308 /nfs/dbraw/zinc/11/33/08/814113308.db2.gz WCCNBLIOFHFDMK-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692770 814113311 /nfs/dbraw/zinc/11/33/11/814113311.db2.gz WCCNBLIOFHFDMK-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCC)cc2Cl)cc[nH+]1 ZINC001209893737 814191429 /nfs/dbraw/zinc/19/14/29/814191429.db2.gz OJAXAGZTGZSCNX-UHFFFAOYSA-N 1 2 272.735 3.281 20 30 CGEDLO N#Cc1ccccc1-c1ccccc1Cn1cc[nH+]c1 ZINC001242716309 823110478 /nfs/dbraw/zinc/11/04/78/823110478.db2.gz REPWCVGILIVRPI-UHFFFAOYSA-N 1 2 259.312 3.470 20 30 CGEDLO CCCCCCCCCCCN1CC[NH2+]C[C@@H]1C#N ZINC001210121984 814299123 /nfs/dbraw/zinc/29/91/23/814299123.db2.gz OLHCVFPVFHKPBP-INIZCTEOSA-N 1 2 265.445 3.315 20 30 CGEDLO Cc1[nH+]c2ccccn2c1NC1=CC(=O)CC(C)(C)C1 ZINC001210150329 814313239 /nfs/dbraw/zinc/31/32/39/814313239.db2.gz VYWKGRSNCGXRLP-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO Cc1[nH+]cc(Nc2cccnc2C#C[Si](C)(C)C)cc1N ZINC001210287645 814383646 /nfs/dbraw/zinc/38/36/46/814383646.db2.gz YVQSMFSJLAMIIG-UHFFFAOYSA-N 1 2 296.450 3.340 20 30 CGEDLO Cc1cc(C#N)ccc1Nc1[nH+]cccc1N(C)C ZINC001210374416 814430295 /nfs/dbraw/zinc/43/02/95/814430295.db2.gz LGIUCXXXUCCLNP-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO CC#Cc1cncc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001242942432 823181856 /nfs/dbraw/zinc/18/18/56/823181856.db2.gz CPPHPQFGZITMDG-UHFFFAOYSA-N 1 2 273.339 3.365 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc2cc[nH]c2cn1 ZINC001231668118 818155035 /nfs/dbraw/zinc/15/50/35/818155035.db2.gz LKVAGMCEROZZAI-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc2cc[nH]c2cn1 ZINC001231668118 818155038 /nfs/dbraw/zinc/15/50/38/818155038.db2.gz LKVAGMCEROZZAI-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO C[N@H+](CCc1cccc(F)c1)Cc1cc(C#N)ccc1O ZINC001232677630 818417487 /nfs/dbraw/zinc/41/74/87/818417487.db2.gz HEVNOYQXGPOAOF-UHFFFAOYSA-N 1 2 284.334 3.077 20 30 CGEDLO C[N@@H+](CCc1cccc(F)c1)Cc1cc(C#N)ccc1O ZINC001232677630 818417491 /nfs/dbraw/zinc/41/74/91/818417491.db2.gz HEVNOYQXGPOAOF-UHFFFAOYSA-N 1 2 284.334 3.077 20 30 CGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC001233045152 818507917 /nfs/dbraw/zinc/50/79/17/818507917.db2.gz QAGRJKIWCVGIFB-UHFFFAOYSA-N 1 2 295.386 3.068 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/Cl ZINC001234509277 818869919 /nfs/dbraw/zinc/86/99/19/818869919.db2.gz JJIQKTHPHPCCIF-WCLQSUPFSA-N 1 2 296.842 3.040 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/Cl ZINC001234509277 818869924 /nfs/dbraw/zinc/86/99/24/818869924.db2.gz JJIQKTHPHPCCIF-WCLQSUPFSA-N 1 2 296.842 3.040 20 30 CGEDLO N#CCc1ccccc1C[NH+]1CC(Oc2ccccc2)C1 ZINC001235523860 819114163 /nfs/dbraw/zinc/11/41/63/819114163.db2.gz VPQLJOURYYKSKA-UHFFFAOYSA-N 1 2 278.355 3.016 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(=O)OCC)c(C)s1 ZINC001237238833 819708206 /nfs/dbraw/zinc/70/82/06/819708206.db2.gz BFKDAISYAJTBGN-UHFFFAOYSA-N 1 2 282.409 3.026 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(C(=O)OCC)c(C)s1 ZINC001237238833 819708209 /nfs/dbraw/zinc/70/82/09/819708209.db2.gz BFKDAISYAJTBGN-UHFFFAOYSA-N 1 2 282.409 3.026 20 30 CGEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@H]3c3ccccc3)cn2c1 ZINC001237606896 819785017 /nfs/dbraw/zinc/78/50/17/819785017.db2.gz QETOGKPDJRWQIQ-KRWDZBQOSA-N 1 2 288.354 3.153 20 30 CGEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@H]3c3ccccc3)cn2c1 ZINC001237606896 819785020 /nfs/dbraw/zinc/78/50/20/819785020.db2.gz QETOGKPDJRWQIQ-KRWDZBQOSA-N 1 2 288.354 3.153 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001238010975 819912138 /nfs/dbraw/zinc/91/21/38/819912138.db2.gz GETDRODFKFFDSS-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001238010975 819912146 /nfs/dbraw/zinc/91/21/46/819912146.db2.gz GETDRODFKFFDSS-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)c(C)cc1Br ZINC001238278105 819969633 /nfs/dbraw/zinc/96/96/33/819969633.db2.gz UDWUALAVEGEXKP-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)c(C)cc1Br ZINC001238278105 819969640 /nfs/dbraw/zinc/96/96/40/819969640.db2.gz UDWUALAVEGEXKP-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cnc1F ZINC001238599794 820055654 /nfs/dbraw/zinc/05/56/54/820055654.db2.gz JEQUPZSNBSNHHT-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cnc1F ZINC001238599794 820055656 /nfs/dbraw/zinc/05/56/56/820055656.db2.gz JEQUPZSNBSNHHT-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO Cc1cn2c(cccc2-c2cc(F)c(C#N)c(F)c2)[nH+]1 ZINC001239921816 820700199 /nfs/dbraw/zinc/70/01/99/820700199.db2.gz GVDHTKAVYPQYDH-UHFFFAOYSA-N 1 2 269.254 3.460 20 30 CGEDLO N#Cc1nccc2cc(-c3ccn4cc[nH+]c4c3)ccc12 ZINC001240512909 821108646 /nfs/dbraw/zinc/10/86/46/821108646.db2.gz BFXYBWGIUJAFJI-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO COc1cc(C#N)ccc1-c1cn2cc[nH+]c2cc1C ZINC001241403957 821800462 /nfs/dbraw/zinc/80/04/62/821800462.db2.gz FJKCLRLAYMGCAW-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1cccc(-c2cc3[nH]ccc3c(C)[nH+]2)c1C#N ZINC001242298636 822943652 /nfs/dbraw/zinc/94/36/52/822943652.db2.gz PTZZLTUPTMEHGC-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO C=C(CC(C)C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001348348613 936918006 /nfs/dbraw/zinc/91/80/06/936918006.db2.gz DHAUSHVTXWMKII-UHFFFAOYSA-N 1 2 287.407 3.087 20 30 CGEDLO C=CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001353747097 937076083 /nfs/dbraw/zinc/07/60/83/937076083.db2.gz ZDLCVPDFJSXTHA-UHFFFAOYSA-N 1 2 291.354 3.476 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001481685472 927053976 /nfs/dbraw/zinc/05/39/76/927053976.db2.gz YWBFMXCIEMDJQY-KGLIPLIRSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001481685472 927053983 /nfs/dbraw/zinc/05/39/83/927053983.db2.gz YWBFMXCIEMDJQY-KGLIPLIRSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)/C=C(\C)CC)CC2 ZINC001482241225 927184089 /nfs/dbraw/zinc/18/40/89/927184089.db2.gz KFZOLAQIRIXDGW-UKTHLTGXSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2(CCC)CC2)CC1 ZINC001486515061 928032271 /nfs/dbraw/zinc/03/22/71/928032271.db2.gz RBJWXTQILJTXFU-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2(CCC)CC2)CC1 ZINC001486515061 928032260 /nfs/dbraw/zinc/03/22/60/928032260.db2.gz RBJWXTQILJTXFU-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=CC(C)(C)CC(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001455775328 937420855 /nfs/dbraw/zinc/42/08/55/937420855.db2.gz YXCUPVZVKKQRDF-ZDUSSCGKSA-N 1 2 275.396 3.292 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC001139534904 931953913 /nfs/dbraw/zinc/95/39/13/931953913.db2.gz YGVPHHVMSWXYHB-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2F)C1 ZINC001139534904 931953919 /nfs/dbraw/zinc/95/39/19/931953919.db2.gz YGVPHHVMSWXYHB-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C[N@H+](Cc1ccc(O)cc1)Cc1cccc(F)c1C#N ZINC001462196013 937623959 /nfs/dbraw/zinc/62/39/59/937623959.db2.gz CBTMTQNEHBNNTJ-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1ccc(O)cc1)Cc1cccc(F)c1C#N ZINC001462196013 937623960 /nfs/dbraw/zinc/62/39/60/937623960.db2.gz CBTMTQNEHBNNTJ-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO COc1c(C)c[nH+]c(CN(C)c2cc(F)ccc2C#N)c1C ZINC001306946284 932900264 /nfs/dbraw/zinc/90/02/64/932900264.db2.gz LIZGUFPVUSOPBU-UHFFFAOYSA-N 1 2 299.349 3.354 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001339278968 932940908 /nfs/dbraw/zinc/94/09/08/932940908.db2.gz IYMIDGTZZGOABD-CYBMUJFWSA-N 1 2 269.348 3.134 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001307818165 933005137 /nfs/dbraw/zinc/00/51/37/933005137.db2.gz CFNJFPIIVVWKKB-DGCLKSJQSA-N 1 2 279.405 3.249 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001307818165 933005139 /nfs/dbraw/zinc/00/51/39/933005139.db2.gz CFNJFPIIVVWKKB-DGCLKSJQSA-N 1 2 279.405 3.249 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308505265 933121571 /nfs/dbraw/zinc/12/15/71/933121571.db2.gz CMWILWLHGIBTOQ-LLVKDONJSA-N 1 2 285.303 3.247 20 30 CGEDLO Cc1cc(C[NH2+][C@@H](C)CC#N)c(OC(F)F)cc1C ZINC001308506218 933121630 /nfs/dbraw/zinc/12/16/30/933121630.db2.gz SPPQVLFJOPWJPQ-NSHDSACASA-N 1 2 268.307 3.297 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(CC)n1)Cc1ccccc1 ZINC001308584049 933138528 /nfs/dbraw/zinc/13/85/28/933138528.db2.gz FMOILWPXNXBZNT-UHFFFAOYSA-N 1 2 255.365 3.091 20 30 CGEDLO C=CC[N@H+](Cc1ccn(CC)n1)Cc1ccccc1 ZINC001308584049 933138531 /nfs/dbraw/zinc/13/85/31/933138531.db2.gz FMOILWPXNXBZNT-UHFFFAOYSA-N 1 2 255.365 3.091 20 30 CGEDLO Cc1cc(F)c(C#N)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001472649803 937779267 /nfs/dbraw/zinc/77/92/67/937779267.db2.gz WWPUTHJCLGFIQL-UHFFFAOYSA-N 1 2 270.311 3.210 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccccc1Cl)C(=O)OCC ZINC001326380791 934976210 /nfs/dbraw/zinc/97/62/10/934976210.db2.gz KZPIUVGKBDRADY-DOMZBBRYSA-N 1 2 295.810 3.368 20 30 CGEDLO C#C[C@H](Nc1nc(C)[nH+]c(C)c1C)c1ccccc1 ZINC001328134248 935120215 /nfs/dbraw/zinc/12/02/15/935120215.db2.gz JTJGJKGLAYGINW-HNNXBMFYSA-N 1 2 251.333 3.188 20 30 CGEDLO C#C[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC001329239369 935197753 /nfs/dbraw/zinc/19/77/53/935197753.db2.gz JGVRBGPHFNBOAA-OAHLLOKOSA-N 1 2 263.344 3.449 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc(C#N)c1O ZINC001329375387 935210245 /nfs/dbraw/zinc/21/02/45/935210245.db2.gz LADQDQUOZWRCJD-FRJFDASCSA-N 1 2 292.329 3.348 20 30 CGEDLO N#Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC001474387652 937856544 /nfs/dbraw/zinc/85/65/44/937856544.db2.gz PTVUWTMHTMAYID-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001499771851 937974692 /nfs/dbraw/zinc/97/46/92/937974692.db2.gz WNKHAWDFSFJBFR-INIZCTEOSA-N 1 2 280.456 3.168 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(Br)CC1 ZINC001559513923 938228140 /nfs/dbraw/zinc/22/81/40/938228140.db2.gz LJHZAIARSHWGIE-UHFFFAOYSA-N 1 2 296.183 3.188 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)CC1(Br)CC1 ZINC001559513923 938228141 /nfs/dbraw/zinc/22/81/41/938228141.db2.gz LJHZAIARSHWGIE-UHFFFAOYSA-N 1 2 296.183 3.188 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1cccc(F)c1F ZINC001559702754 938233307 /nfs/dbraw/zinc/23/33/07/938233307.db2.gz AIFMVTPLJZIIRW-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C=CCC[NH2+][C@@H](Cc1cccc2ccccc21)C(=O)OCC ZINC001560052768 938242800 /nfs/dbraw/zinc/24/28/00/938242800.db2.gz NHAUKCUOVBJKEX-SFHVURJKSA-N 1 2 297.398 3.480 20 30 CGEDLO N#Cc1ccnc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC001560080949 938243460 /nfs/dbraw/zinc/24/34/60/938243460.db2.gz ALKTUVWWHUWDJN-SFHVURJKSA-N 1 2 295.361 3.414 20 30 CGEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC001560080949 938243461 /nfs/dbraw/zinc/24/34/61/938243461.db2.gz ALKTUVWWHUWDJN-SFHVURJKSA-N 1 2 295.361 3.414 20 30 CGEDLO C(#Cc1ccccc1)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001560703872 938271230 /nfs/dbraw/zinc/27/12/30/938271230.db2.gz PGTFOYXKXDBWAA-UHFFFAOYSA-N 1 2 273.339 3.336 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)OC ZINC001560879591 938281406 /nfs/dbraw/zinc/28/14/06/938281406.db2.gz FQZUBTJDTCPPNR-KFWWJZLASA-N 1 2 279.424 3.136 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CC(C)(C)C1 ZINC001560971923 938287059 /nfs/dbraw/zinc/28/70/59/938287059.db2.gz WZVKBQSJLNVTAG-UHFFFAOYSA-N 1 2 263.768 3.194 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001560967481 938287228 /nfs/dbraw/zinc/28/72/28/938287228.db2.gz INLFKEINPFRYSA-RYUDHWBXSA-N 1 2 273.804 3.229 20 30 CGEDLO CCN(CC)c1cc(NC23CCC(C#N)(CC2)CC3)[nH+]cn1 ZINC001158785437 958831640 /nfs/dbraw/zinc/83/16/40/958831640.db2.gz WUAUCNMKGRGIGC-UHFFFAOYSA-N 1 2 299.422 3.351 20 30 CGEDLO CCN(CC)c1cc(NC23CCC(C#N)(CC2)CC3)nc[nH+]1 ZINC001158785437 958831663 /nfs/dbraw/zinc/83/16/63/958831663.db2.gz WUAUCNMKGRGIGC-UHFFFAOYSA-N 1 2 299.422 3.351 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001570745944 962071798 /nfs/dbraw/zinc/07/17/98/962071798.db2.gz OCPZIFICPSAVAM-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001570745944 962071813 /nfs/dbraw/zinc/07/18/13/962071813.db2.gz OCPZIFICPSAVAM-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO N#CCCCCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000589835906 346813337 /nfs/dbraw/zinc/81/33/37/346813337.db2.gz NULBGLXINXIQAT-UHFFFAOYSA-N 1 2 282.347 3.489 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000589990567 346820191 /nfs/dbraw/zinc/82/01/91/346820191.db2.gz CWALGWRLJZXUBB-UHFFFAOYSA-N 1 2 288.366 3.090 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000589990567 346820193 /nfs/dbraw/zinc/82/01/93/346820193.db2.gz CWALGWRLJZXUBB-UHFFFAOYSA-N 1 2 288.366 3.090 20 30 CGEDLO Cc1cc(C)c(NC(=O)N2CCC[C@@](C)(C#N)C2)c(C)[nH+]1 ZINC000590836130 346880267 /nfs/dbraw/zinc/88/02/67/346880267.db2.gz SLAKVEOVASRLKN-INIZCTEOSA-N 1 2 286.379 3.164 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(C)no1 ZINC000591010969 346894494 /nfs/dbraw/zinc/89/44/94/346894494.db2.gz OEJPLEQUGCPLIZ-GFCCVEGCSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(C)no1 ZINC000591010969 346894497 /nfs/dbraw/zinc/89/44/97/346894497.db2.gz OEJPLEQUGCPLIZ-GFCCVEGCSA-N 1 2 284.363 3.223 20 30 CGEDLO N#Cc1cnccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000592103895 346963708 /nfs/dbraw/zinc/96/37/08/346963708.db2.gz HBCBNJYUBZQNJL-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]CC(F)(F)CC ZINC000623680658 349865653 /nfs/dbraw/zinc/86/56/53/349865653.db2.gz UFVYUFBKPWJWOU-UHFFFAOYSA-N 1 2 255.308 3.386 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)CC1(C#N)CC1 ZINC000347483846 529984714 /nfs/dbraw/zinc/98/47/14/529984714.db2.gz QQJBCIYVAYDNTK-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)CC1(C#N)CC1 ZINC000347483846 529984715 /nfs/dbraw/zinc/98/47/15/529984715.db2.gz QQJBCIYVAYDNTK-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000029536566 344918503 /nfs/dbraw/zinc/91/85/03/344918503.db2.gz NDDMHVOIVIYHGS-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000029536566 344918505 /nfs/dbraw/zinc/91/85/05/344918505.db2.gz NDDMHVOIVIYHGS-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#CC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000057389050 345178160 /nfs/dbraw/zinc/17/81/60/345178160.db2.gz FPFOPRXZNYVLBV-UHFFFAOYSA-N 1 2 294.358 3.285 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3ccc(C#N)cc3F)cn21 ZINC000068772525 345362094 /nfs/dbraw/zinc/36/20/94/345362094.db2.gz OOBLVKLZGIOFAF-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)C[C@H](C#N)CCC#N ZINC000073021485 345427354 /nfs/dbraw/zinc/42/73/54/345427354.db2.gz BQSYYTSGXDSQRF-ZDUSSCGKSA-N 1 2 259.378 3.180 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)C[C@H](C#N)CCC#N ZINC000073021485 345427356 /nfs/dbraw/zinc/42/73/56/345427356.db2.gz BQSYYTSGXDSQRF-ZDUSSCGKSA-N 1 2 259.378 3.180 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](CCC#N)CC1CC1 ZINC000081060378 345698150 /nfs/dbraw/zinc/69/81/50/345698150.db2.gz VDOAUPIPPMMKLK-UHFFFAOYSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000081060378 345698152 /nfs/dbraw/zinc/69/81/52/345698152.db2.gz VDOAUPIPPMMKLK-UHFFFAOYSA-N 1 2 258.365 3.129 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000093841163 345889630 /nfs/dbraw/zinc/88/96/30/345889630.db2.gz HMRIQFXRASIUQU-GOSISDBHSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000093841163 345889634 /nfs/dbraw/zinc/88/96/34/345889634.db2.gz HMRIQFXRASIUQU-GOSISDBHSA-N 1 2 299.370 3.418 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc(N(C)C)s1 ZINC000093101019 345868781 /nfs/dbraw/zinc/86/87/81/345868781.db2.gz NTJFGVASZPJUCX-UHFFFAOYSA-N 1 2 294.468 3.361 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc(N(C)C)s1 ZINC000093101019 345868784 /nfs/dbraw/zinc/86/87/84/345868784.db2.gz NTJFGVASZPJUCX-UHFFFAOYSA-N 1 2 294.468 3.361 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1F ZINC000102408151 345916210 /nfs/dbraw/zinc/91/62/10/345916210.db2.gz INLINYFSIBDZMS-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1F ZINC000102408151 345916212 /nfs/dbraw/zinc/91/62/12/345916212.db2.gz INLINYFSIBDZMS-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1cc(F)ccc1C#N ZINC000159562118 346168067 /nfs/dbraw/zinc/16/80/67/346168067.db2.gz BJGHPGUEEZKEGD-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1cc(F)ccc1C#N ZINC000159562118 346168069 /nfs/dbraw/zinc/16/80/69/346168069.db2.gz BJGHPGUEEZKEGD-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO C[C@H]1CCCC[C@H]1OCC[N@H+](CC#N)C1CCCC1 ZINC000156619275 346159601 /nfs/dbraw/zinc/15/96/01/346159601.db2.gz SZWIRKHCRKRKON-GOEBONIOSA-N 1 2 264.413 3.350 20 30 CGEDLO C[C@H]1CCCC[C@H]1OCC[N@@H+](CC#N)C1CCCC1 ZINC000156619275 346159602 /nfs/dbraw/zinc/15/96/02/346159602.db2.gz SZWIRKHCRKRKON-GOEBONIOSA-N 1 2 264.413 3.350 20 30 CGEDLO N#CC1CC[NH+](Cc2ccsc2Br)CC1 ZINC000389050340 346571610 /nfs/dbraw/zinc/57/16/10/346571610.db2.gz HBECOLKKTCKCHP-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO C#C[C@@H](CC)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000491695484 346629709 /nfs/dbraw/zinc/62/97/09/346629709.db2.gz CDSBQXVREFQVCG-AWEZNQCLSA-N 1 2 280.327 3.016 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnn1CC ZINC000119177957 370651333 /nfs/dbraw/zinc/65/13/33/370651333.db2.gz UBSIEWZXGPTSQW-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1CC ZINC000119177957 370651335 /nfs/dbraw/zinc/65/13/35/370651335.db2.gz UBSIEWZXGPTSQW-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO Cc1ccsc1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593696340 347104816 /nfs/dbraw/zinc/10/48/16/347104816.db2.gz DGGKLQJOMBBMCY-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1ccsc1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593696340 347104817 /nfs/dbraw/zinc/10/48/17/347104817.db2.gz DGGKLQJOMBBMCY-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000594011812 347136499 /nfs/dbraw/zinc/13/64/99/347136499.db2.gz WNNBBCWQEDZFJI-SNVBAGLBSA-N 1 2 278.306 3.213 20 30 CGEDLO Cc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cs1 ZINC000594028111 347138855 /nfs/dbraw/zinc/13/88/55/347138855.db2.gz FRNKAVKKFFHVNC-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cs1 ZINC000594028111 347138859 /nfs/dbraw/zinc/13/88/59/347138859.db2.gz FRNKAVKKFFHVNC-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc(C#N)c([N+](=O)[O-])c2)c(C)c1 ZINC000594595750 347198349 /nfs/dbraw/zinc/19/83/49/347198349.db2.gz IZYLBFZVICMIKK-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000594602597 347201286 /nfs/dbraw/zinc/20/12/86/347201286.db2.gz MUGFPIDGBIYPLO-CQSZACIVSA-N 1 2 282.391 3.223 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@H](C)CC#N ZINC000594602597 347201288 /nfs/dbraw/zinc/20/12/88/347201288.db2.gz MUGFPIDGBIYPLO-CQSZACIVSA-N 1 2 282.391 3.223 20 30 CGEDLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H](C)C#N ZINC000594612310 347202551 /nfs/dbraw/zinc/20/25/51/347202551.db2.gz LTVDCDXTZITAAE-NSHDSACASA-N 1 2 288.782 3.083 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2F)nc1C ZINC000594611296 347203072 /nfs/dbraw/zinc/20/30/72/347203072.db2.gz ILWSMXDOMHFFNH-CQSZACIVSA-N 1 2 286.354 3.102 20 30 CGEDLO Cc1ccccc1C(F)(F)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595094522 347282094 /nfs/dbraw/zinc/28/20/94/347282094.db2.gz LGGQOGAWRYEFEE-CHWSQXEVSA-N 1 2 264.319 3.369 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000595620834 347328677 /nfs/dbraw/zinc/32/86/77/347328677.db2.gz RKEVKVYRGXOSJX-CYBMUJFWSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000595620834 347328679 /nfs/dbraw/zinc/32/86/79/347328679.db2.gz RKEVKVYRGXOSJX-CYBMUJFWSA-N 1 2 298.415 3.331 20 30 CGEDLO CC1(C)CCC[N@H+](CCc2ccc(C#N)cc2)[C@H]1C#N ZINC000595463820 347307771 /nfs/dbraw/zinc/30/77/71/347307771.db2.gz AKBSZXPORHNBCT-INIZCTEOSA-N 1 2 267.376 3.115 20 30 CGEDLO CC1(C)CCC[N@@H+](CCc2ccc(C#N)cc2)[C@H]1C#N ZINC000595463820 347307773 /nfs/dbraw/zinc/30/77/73/347307773.db2.gz AKBSZXPORHNBCT-INIZCTEOSA-N 1 2 267.376 3.115 20 30 CGEDLO CC[N@H+](CCCOc1cccc(Cl)c1)[C@H](C)C#N ZINC000595812513 347357877 /nfs/dbraw/zinc/35/78/77/347357877.db2.gz GFMPETRLRKRDAQ-GFCCVEGCSA-N 1 2 266.772 3.343 20 30 CGEDLO CC[N@@H+](CCCOc1cccc(Cl)c1)[C@H](C)C#N ZINC000595812513 347357880 /nfs/dbraw/zinc/35/78/80/347357880.db2.gz GFMPETRLRKRDAQ-GFCCVEGCSA-N 1 2 266.772 3.343 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595839773 347365759 /nfs/dbraw/zinc/36/57/59/347365759.db2.gz LAIOVHFRCMQLGE-CQSZACIVSA-N 1 2 298.308 3.363 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595839773 347365763 /nfs/dbraw/zinc/36/57/63/347365763.db2.gz LAIOVHFRCMQLGE-CQSZACIVSA-N 1 2 298.308 3.363 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595884516 347370370 /nfs/dbraw/zinc/37/03/70/347370370.db2.gz AILPLGAUBOPVOU-AWEZNQCLSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595884516 347370371 /nfs/dbraw/zinc/37/03/71/347370371.db2.gz AILPLGAUBOPVOU-AWEZNQCLSA-N 1 2 298.308 3.020 20 30 CGEDLO C[C@@H](CC#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000597029366 347529570 /nfs/dbraw/zinc/52/95/70/347529570.db2.gz CQXFSXSIPWJBBV-JTQLQIEISA-N 1 2 282.347 3.319 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597078899 347533305 /nfs/dbraw/zinc/53/33/05/347533305.db2.gz CTYGNBNLQSELPS-QGZVFWFLSA-N 1 2 288.366 3.493 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597078899 347533309 /nfs/dbraw/zinc/53/33/09/347533309.db2.gz CTYGNBNLQSELPS-QGZVFWFLSA-N 1 2 288.366 3.493 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000597085684 347534696 /nfs/dbraw/zinc/53/46/96/347534696.db2.gz HHEVCNYKFKDKJN-LBPRGKRZSA-N 1 2 262.328 3.149 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000597085683 347535016 /nfs/dbraw/zinc/53/50/16/347535016.db2.gz HHEVCNYKFKDKJN-GFCCVEGCSA-N 1 2 262.328 3.149 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597177434 347545524 /nfs/dbraw/zinc/54/55/24/347545524.db2.gz MGSLLJZWGMIDTL-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597177434 347545525 /nfs/dbraw/zinc/54/55/25/347545525.db2.gz MGSLLJZWGMIDTL-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000597204538 347554260 /nfs/dbraw/zinc/55/42/60/347554260.db2.gz ZPOOTAKEWDXLLE-UHFFFAOYSA-N 1 2 297.427 3.274 20 30 CGEDLO N#CC1(CC(=O)Nc2ccc3[nH+]ccn3c2)CCCCC1 ZINC000597216268 347556015 /nfs/dbraw/zinc/55/60/15/347556015.db2.gz VOBWWSWTFITYRT-UHFFFAOYSA-N 1 2 282.347 3.137 20 30 CGEDLO Cc1ccc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)[nH]c2c1 ZINC000597229964 347559263 /nfs/dbraw/zinc/55/92/63/347559263.db2.gz DCKCBNFSMNQXMI-INIZCTEOSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1ccc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)[nH]c2c1 ZINC000597229964 347559266 /nfs/dbraw/zinc/55/92/66/347559266.db2.gz DCKCBNFSMNQXMI-INIZCTEOSA-N 1 2 253.349 3.212 20 30 CGEDLO COc1ccc2oc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2c1 ZINC000597231885 347559972 /nfs/dbraw/zinc/55/99/72/347559972.db2.gz POQIZSKFJZIHMF-MRXNPFEDSA-N 1 2 270.332 3.177 20 30 CGEDLO COc1ccc2oc(C[N@H+]3CC[C@](C)(C#N)C3)cc2c1 ZINC000597231885 347559974 /nfs/dbraw/zinc/55/99/74/347559974.db2.gz POQIZSKFJZIHMF-MRXNPFEDSA-N 1 2 270.332 3.177 20 30 CGEDLO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2CC(F)F)cc1Cl ZINC000599133198 347719790 /nfs/dbraw/zinc/71/97/90/347719790.db2.gz DSSJHTWKVIOXKK-LBPRGKRZSA-N 1 2 299.752 3.353 20 30 CGEDLO N#Cc1ccc(NC[C@@H]2CCC[N@@H+]2CC(F)F)cc1Cl ZINC000599133198 347719793 /nfs/dbraw/zinc/71/97/93/347719793.db2.gz DSSJHTWKVIOXKK-LBPRGKRZSA-N 1 2 299.752 3.353 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000600118228 347781877 /nfs/dbraw/zinc/78/18/77/347781877.db2.gz SITPMFAEOMDDRR-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc(C2CC2)o1 ZINC000600118228 347781879 /nfs/dbraw/zinc/78/18/79/347781879.db2.gz SITPMFAEOMDDRR-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO Cc1cc(NCC2(C(F)(F)F)CCCC2)c(C#N)c[nH+]1 ZINC000599184963 347724668 /nfs/dbraw/zinc/72/46/68/347724668.db2.gz NTHZQTISPOOTGZ-UHFFFAOYSA-N 1 2 283.297 3.218 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515180 347749959 /nfs/dbraw/zinc/74/99/59/347749959.db2.gz PXIPNSVUBZUNFG-LBPRGKRZSA-N 1 2 250.292 3.058 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515180 347749961 /nfs/dbraw/zinc/74/99/61/347749961.db2.gz PXIPNSVUBZUNFG-LBPRGKRZSA-N 1 2 250.292 3.058 20 30 CGEDLO COC(=O)[C@@]1([NH2+]CCC(C)(C)C#N)CCCC(C)(C)C1 ZINC000599559322 347754575 /nfs/dbraw/zinc/75/45/75/347754575.db2.gz UNRKCEYYSHVBLY-MRXNPFEDSA-N 1 2 280.412 3.028 20 30 CGEDLO COc1ccc(-c2ccc(NC(C)C)[nH+]c2)c(C#N)c1 ZINC000600792476 347837253 /nfs/dbraw/zinc/83/72/53/347837253.db2.gz YOEXXNXIRIWAQF-UHFFFAOYSA-N 1 2 267.332 3.449 20 30 CGEDLO N#Cc1cc(F)cc(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000601139326 347873805 /nfs/dbraw/zinc/87/38/05/347873805.db2.gz ASBPVNDLDSRXQR-OAHLLOKOSA-N 1 2 281.334 3.452 20 30 CGEDLO Cc1cn2ccc(C(=O)N(CCC#N)CCC(C)C)cc2[nH+]1 ZINC000602092262 347936490 /nfs/dbraw/zinc/93/64/90/347936490.db2.gz VOIZXMIQZYBQFW-UHFFFAOYSA-N 1 2 298.390 3.045 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602461569 347962252 /nfs/dbraw/zinc/96/22/52/347962252.db2.gz HXDYMTXECOOPSE-SNVBAGLBSA-N 1 2 275.302 3.247 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602461569 347962253 /nfs/dbraw/zinc/96/22/53/347962253.db2.gz HXDYMTXECOOPSE-SNVBAGLBSA-N 1 2 275.302 3.247 20 30 CGEDLO COCCOc1cc(C)ccc1[NH2+]C[C@H](C)CCC#N ZINC000602491682 347968578 /nfs/dbraw/zinc/96/85/78/347968578.db2.gz CYFCCHGILYPEKZ-CQSZACIVSA-N 1 2 276.380 3.372 20 30 CGEDLO N#CC1CCC(Nc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000602599126 347991223 /nfs/dbraw/zinc/99/12/23/347991223.db2.gz HHMSCWMWVPETOU-UHFFFAOYSA-N 1 2 255.365 3.455 20 30 CGEDLO N#CCC1C[NH+](Cc2oc3ccccc3c2Cl)C1 ZINC000602709827 348015131 /nfs/dbraw/zinc/01/51/31/348015131.db2.gz SSQCQODJJKANDD-UHFFFAOYSA-N 1 2 260.724 3.432 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(=O)OC ZINC000602734985 348021025 /nfs/dbraw/zinc/02/10/25/348021025.db2.gz RMKHAYNVGYARSC-AVVWSFFYSA-N 1 2 291.366 3.169 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1cccc(C#N)n1)c1nc(C)cs1 ZINC000602549287 347980152 /nfs/dbraw/zinc/98/01/52/347980152.db2.gz ZYKBOHVQBDDVHQ-OAHLLOKOSA-N 1 2 286.404 3.133 20 30 CGEDLO CCC(F)(F)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000602881434 348040344 /nfs/dbraw/zinc/04/03/44/348040344.db2.gz WNYKOPFHGHQJLT-UHFFFAOYSA-N 1 2 252.308 3.428 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000609486757 348345397 /nfs/dbraw/zinc/34/53/97/348345397.db2.gz QHFFVACOGGFCMT-ZDUSSCGKSA-N 1 2 297.855 3.067 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000610410468 348381556 /nfs/dbraw/zinc/38/15/56/348381556.db2.gz UELYGLBBEDWQTH-UHIISALHSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000610410468 348381559 /nfs/dbraw/zinc/38/15/59/348381559.db2.gz UELYGLBBEDWQTH-UHIISALHSA-N 1 2 298.308 3.271 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cccc(OCC(C)C)c1 ZINC000611413776 348449379 /nfs/dbraw/zinc/44/93/79/348449379.db2.gz SVPGQWJKJYKZTI-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cccc(OCC(C)C)c1 ZINC000611413776 348449380 /nfs/dbraw/zinc/44/93/80/348449380.db2.gz SVPGQWJKJYKZTI-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000611553455 348460669 /nfs/dbraw/zinc/46/06/69/348460669.db2.gz DMWAXKVKYHLSBF-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO CCOc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612406748 348517576 /nfs/dbraw/zinc/51/75/76/348517576.db2.gz SJHBWBOZMDERJJ-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612406748 348517577 /nfs/dbraw/zinc/51/75/77/348517577.db2.gz SJHBWBOZMDERJJ-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1nc2ccccc2n1C(F)F ZINC000614916183 348700148 /nfs/dbraw/zinc/70/01/48/348700148.db2.gz WDMROOOHERXYSP-VHSXEESVSA-N 1 2 278.306 3.384 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000618594366 349116019 /nfs/dbraw/zinc/11/60/19/349116019.db2.gz LGCNODUBFHELAY-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000618594366 349116021 /nfs/dbraw/zinc/11/60/21/349116021.db2.gz LGCNODUBFHELAY-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc3cnccc3c2)c1 ZINC000618678461 349140190 /nfs/dbraw/zinc/14/01/90/349140190.db2.gz OWNWBNRIHGHALK-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO C=C[C@@H]([NH2+]CC(CC)(CC)c1ccccc1)C(=O)OC ZINC000619702770 349276953 /nfs/dbraw/zinc/27/69/53/349276953.db2.gz RLSQWYHYAPELPY-OAHLLOKOSA-N 1 2 275.392 3.062 20 30 CGEDLO C=C[C@H]([NH2+]CC1(Cc2ccccc2)CCCC1)C(=O)OC ZINC000619703171 349277210 /nfs/dbraw/zinc/27/72/10/349277210.db2.gz HGYUASWDZDSANK-INIZCTEOSA-N 1 2 287.403 3.107 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000619718847 349278132 /nfs/dbraw/zinc/27/81/32/349278132.db2.gz CIWVVNUBDRMRGM-WMLDXEAASA-N 1 2 298.386 3.075 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000619718847 349278136 /nfs/dbraw/zinc/27/81/36/349278136.db2.gz CIWVVNUBDRMRGM-WMLDXEAASA-N 1 2 298.386 3.075 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C(F)F ZINC000619723353 349279058 /nfs/dbraw/zinc/27/90/58/349279058.db2.gz YSVGPDJWWPPGGH-AWEZNQCLSA-N 1 2 264.319 3.486 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C(F)F ZINC000619723353 349279060 /nfs/dbraw/zinc/27/90/60/349279060.db2.gz YSVGPDJWWPPGGH-AWEZNQCLSA-N 1 2 264.319 3.486 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651330 349404308 /nfs/dbraw/zinc/40/43/08/349404308.db2.gz NEXXFFWTFYLLMD-NSHDSACASA-N 1 2 257.337 3.184 20 30 CGEDLO C=CCC1(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CCC1 ZINC000620651965 349404744 /nfs/dbraw/zinc/40/47/44/349404744.db2.gz UXNCVYWBKZVQSP-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccncc1Br ZINC000625377568 350165764 /nfs/dbraw/zinc/16/57/64/350165764.db2.gz MPNQQASYCOQROZ-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccncc1Br ZINC000625377568 350165768 /nfs/dbraw/zinc/16/57/68/350165768.db2.gz MPNQQASYCOQROZ-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO Cc1cccc(CCNc2cccc(F)c2C#N)[nH+]1 ZINC000359844358 233382728 /nfs/dbraw/zinc/38/27/28/233382728.db2.gz NLELRJQONQBQHQ-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000336518286 213397246 /nfs/dbraw/zinc/39/72/46/213397246.db2.gz GVFBSQTWYCHGLM-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000336518286 213397248 /nfs/dbraw/zinc/39/72/48/213397248.db2.gz GVFBSQTWYCHGLM-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(F)c1F ZINC000121880180 187002387 /nfs/dbraw/zinc/00/23/87/187002387.db2.gz QOTTXYGDDZRBSQ-SECBINFHSA-N 1 2 262.259 3.280 20 30 CGEDLO N#Cc1ccc(F)cc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000122192943 187020521 /nfs/dbraw/zinc/02/05/21/187020521.db2.gz UNJFMPUWHNYGKG-UHFFFAOYSA-N 1 2 287.244 3.374 20 30 CGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573924909 334977938 /nfs/dbraw/zinc/97/79/38/334977938.db2.gz KCYTWFMMQJEKDH-WBVHZDCISA-N 1 2 297.402 3.138 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000157223452 188303838 /nfs/dbraw/zinc/30/38/38/188303838.db2.gz QYFAQWYFRDYKPH-OAHLLOKOSA-N 1 2 295.329 3.075 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000157223452 188303840 /nfs/dbraw/zinc/30/38/40/188303840.db2.gz QYFAQWYFRDYKPH-OAHLLOKOSA-N 1 2 295.329 3.075 20 30 CGEDLO CCCn1nc(C)c(C[N@H+](CCC#N)CC2CC2)c1C ZINC000093091256 260509006 /nfs/dbraw/zinc/50/90/06/260509006.db2.gz GMVZAGTZQZQKQY-UHFFFAOYSA-N 1 2 274.412 3.036 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+](CCC#N)CC2CC2)c1C ZINC000093091256 260509008 /nfs/dbraw/zinc/50/90/08/260509008.db2.gz GMVZAGTZQZQKQY-UHFFFAOYSA-N 1 2 274.412 3.036 20 30 CGEDLO Cc1cc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425239456 236221811 /nfs/dbraw/zinc/22/18/11/236221811.db2.gz WYSIMQHRJLPKJR-AAEUAGOBSA-N 1 2 297.324 3.464 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000428244549 236383186 /nfs/dbraw/zinc/38/31/86/236383186.db2.gz KXXUYQLNSSMLNL-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000428244549 236383189 /nfs/dbraw/zinc/38/31/89/236383189.db2.gz KXXUYQLNSSMLNL-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341134119 215844572 /nfs/dbraw/zinc/84/45/72/215844572.db2.gz IJHICSBEAGDZSN-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341134119 215844573 /nfs/dbraw/zinc/84/45/73/215844573.db2.gz IJHICSBEAGDZSN-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOCC23CCCCC3)ccc1F ZINC000451812907 240364485 /nfs/dbraw/zinc/36/44/85/240364485.db2.gz HPVFBFIATBYOFM-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOCC23CCCCC3)ccc1F ZINC000451812907 240364488 /nfs/dbraw/zinc/36/44/88/240364488.db2.gz HPVFBFIATBYOFM-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000179759778 189218779 /nfs/dbraw/zinc/21/87/79/189218779.db2.gz RKWYZFFQOGZZCC-UHFFFAOYSA-N 1 2 290.750 3.445 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000179759778 189218780 /nfs/dbraw/zinc/21/87/80/189218780.db2.gz RKWYZFFQOGZZCC-UHFFFAOYSA-N 1 2 290.750 3.445 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1cc(C#N)nc2ccccc21 ZINC000301820357 201215991 /nfs/dbraw/zinc/21/59/91/201215991.db2.gz GFMFZDBVLWRRQJ-UHFFFAOYSA-N 1 2 288.354 3.465 20 30 CGEDLO CN(Cc1cccc(C#N)c1)c1[nH]c2ccccc2[nH+]1 ZINC000301901170 201255180 /nfs/dbraw/zinc/25/51/80/201255180.db2.gz ZVKYRJVXHHXQFK-UHFFFAOYSA-N 1 2 262.316 3.071 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)s1 ZINC000120757945 370798007 /nfs/dbraw/zinc/79/80/07/370798007.db2.gz UXBRZQQHWMQHPX-ZDUSSCGKSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)s1 ZINC000120757945 370798011 /nfs/dbraw/zinc/79/80/11/370798011.db2.gz UXBRZQQHWMQHPX-ZDUSSCGKSA-N 1 2 290.413 3.255 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2sccc2Cl)c1 ZINC000574147292 334995682 /nfs/dbraw/zinc/99/56/82/334995682.db2.gz ZJRQUDFBFPUOFG-UHFFFAOYSA-N 1 2 263.753 3.475 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000121482640 370864551 /nfs/dbraw/zinc/86/45/51/370864551.db2.gz GDRVDABLVXDOBA-UHFFFAOYSA-N 1 2 282.387 3.311 20 30 CGEDLO C=CC[N@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000121482640 370864558 /nfs/dbraw/zinc/86/45/58/370864558.db2.gz GDRVDABLVXDOBA-UHFFFAOYSA-N 1 2 282.387 3.311 20 30 CGEDLO Cc1ccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1C ZINC000126904722 370947875 /nfs/dbraw/zinc/94/78/75/370947875.db2.gz KLMYVIXQYREODQ-UHFFFAOYSA-N 1 2 295.386 3.090 20 30 CGEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000020027659 368793157 /nfs/dbraw/zinc/79/31/57/368793157.db2.gz XRQURSBECIMJBC-LJQANCHMSA-N 1 2 291.398 3.047 20 30 CGEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000020027659 368793163 /nfs/dbraw/zinc/79/31/63/368793163.db2.gz XRQURSBECIMJBC-LJQANCHMSA-N 1 2 291.398 3.047 20 30 CGEDLO C[C@@]1(F)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492745365 244017890 /nfs/dbraw/zinc/01/78/90/244017890.db2.gz IEAWJXRNYZXKLC-CYBMUJFWSA-N 1 2 297.171 3.255 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492745365 244017894 /nfs/dbraw/zinc/01/78/94/244017894.db2.gz IEAWJXRNYZXKLC-CYBMUJFWSA-N 1 2 297.171 3.255 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)Cc1ccccc1 ZINC000045796859 369286040 /nfs/dbraw/zinc/28/60/40/369286040.db2.gz SJLONHLJOXWVEN-UHFFFAOYSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)Cc1ccccc1 ZINC000045796859 369286045 /nfs/dbraw/zinc/28/60/45/369286045.db2.gz SJLONHLJOXWVEN-UHFFFAOYSA-N 1 2 271.364 3.381 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000046856712 369297429 /nfs/dbraw/zinc/29/74/29/369297429.db2.gz KMQXCGHXUJAYPW-UHFFFAOYSA-N 1 2 293.326 3.438 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000046856712 369297434 /nfs/dbraw/zinc/29/74/34/369297434.db2.gz KMQXCGHXUJAYPW-UHFFFAOYSA-N 1 2 293.326 3.438 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000054182962 369497163 /nfs/dbraw/zinc/49/71/63/369497163.db2.gz XWOKGBBIXKNLHK-JTQLQIEISA-N 1 2 273.163 3.481 20 30 CGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055471982 369517888 /nfs/dbraw/zinc/51/78/88/369517888.db2.gz ICOSVRQOMPRLBJ-OAHLLOKOSA-N 1 2 295.386 3.025 20 30 CGEDLO CCc1ccc(-c2noc(C[NH+]3CCC(C#N)CC3)n2)cc1 ZINC000057906693 369550373 /nfs/dbraw/zinc/55/03/73/369550373.db2.gz VRVSAXZGCZWBEI-UHFFFAOYSA-N 1 2 296.374 3.035 20 30 CGEDLO C#CCC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000276561867 193381569 /nfs/dbraw/zinc/38/15/69/193381569.db2.gz SVMIUGBWWYBRLW-UHFFFAOYSA-N 1 2 299.418 3.090 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086233470 370020571 /nfs/dbraw/zinc/02/05/71/370020571.db2.gz SAGZLZNEGKBATL-CQSZACIVSA-N 1 2 290.407 3.230 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000086233470 370020574 /nfs/dbraw/zinc/02/05/74/370020574.db2.gz SAGZLZNEGKBATL-CQSZACIVSA-N 1 2 290.407 3.230 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000091931389 370081099 /nfs/dbraw/zinc/08/10/99/370081099.db2.gz YZULMVNWXPDKFZ-UHFFFAOYSA-N 1 2 279.796 3.244 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000091931389 370081102 /nfs/dbraw/zinc/08/11/02/370081102.db2.gz YZULMVNWXPDKFZ-UHFFFAOYSA-N 1 2 279.796 3.244 20 30 CGEDLO CC[N@@H+](Cc1ncccc1C(F)(F)F)C[C@@H](C)C#N ZINC000091982507 370084590 /nfs/dbraw/zinc/08/45/90/370084590.db2.gz AKADZEQJGGVTRV-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1ncccc1C(F)(F)F)C[C@@H](C)C#N ZINC000091982507 370084597 /nfs/dbraw/zinc/08/45/97/370084597.db2.gz AKADZEQJGGVTRV-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](C)C#N ZINC000091984297 370085413 /nfs/dbraw/zinc/08/54/13/370085413.db2.gz NWHOIEBPPOXDJB-CYBMUJFWSA-N 1 2 268.364 3.058 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](C)C#N ZINC000091984297 370085416 /nfs/dbraw/zinc/08/54/16/370085416.db2.gz NWHOIEBPPOXDJB-CYBMUJFWSA-N 1 2 268.364 3.058 20 30 CGEDLO C#CCCOc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000092254457 370094597 /nfs/dbraw/zinc/09/45/97/370094597.db2.gz GEZAAHHCBDHMBC-UHFFFAOYSA-N 1 2 284.359 3.017 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000092254457 370094603 /nfs/dbraw/zinc/09/46/03/370094603.db2.gz GEZAAHHCBDHMBC-UHFFFAOYSA-N 1 2 284.359 3.017 20 30 CGEDLO N#Cc1ccsc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000134806657 371365789 /nfs/dbraw/zinc/36/57/89/371365789.db2.gz ARJGYPOCNKRDHD-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO Cc1ccc(C#N)c(NCCCc2cccc(C)[nH+]2)n1 ZINC000286652451 371533779 /nfs/dbraw/zinc/53/37/79/371533779.db2.gz UQMKCXFMBCVYJA-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](CCC#N)CCC(C)C ZINC000154261303 371831946 /nfs/dbraw/zinc/83/19/46/371831946.db2.gz TXAPSMZZGBKUAZ-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](CCC#N)CCC(C)C ZINC000154261303 371831970 /nfs/dbraw/zinc/83/19/70/371831970.db2.gz TXAPSMZZGBKUAZ-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCC1(F)F ZINC000289904584 371850453 /nfs/dbraw/zinc/85/04/53/371850453.db2.gz SPCHFQLVZVRCFT-JTQLQIEISA-N 1 2 268.282 3.174 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCC1(F)F ZINC000289904584 371850454 /nfs/dbraw/zinc/85/04/54/371850454.db2.gz SPCHFQLVZVRCFT-JTQLQIEISA-N 1 2 268.282 3.174 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000424635044 372088182 /nfs/dbraw/zinc/08/81/82/372088182.db2.gz GISLFCMHRDJBFT-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428351230 372185326 /nfs/dbraw/zinc/18/53/26/372185326.db2.gz WXSWUCIOWWOAJB-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccc(F)c1C#N ZINC000428351230 372185331 /nfs/dbraw/zinc/18/53/31/372185331.db2.gz WXSWUCIOWWOAJB-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO CC#CC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933164 372283630 /nfs/dbraw/zinc/28/36/30/372283630.db2.gz KTKDJFZOMWHWTO-SWLSCSKDSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933164 372283636 /nfs/dbraw/zinc/28/36/36/372283636.db2.gz KTKDJFZOMWHWTO-SWLSCSKDSA-N 1 2 297.320 3.491 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000432851403 372573956 /nfs/dbraw/zinc/57/39/56/372573956.db2.gz AYTABNAOPXVKQP-UHFFFAOYSA-N 1 2 286.379 3.367 20 30 CGEDLO N#CCCC[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 ZINC000433020606 372577451 /nfs/dbraw/zinc/57/74/51/372577451.db2.gz OGNDNFJFXBMSKX-OAHLLOKOSA-N 1 2 296.374 3.472 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H](C#N)CCC#N ZINC000433239039 372584203 /nfs/dbraw/zinc/58/42/03/372584203.db2.gz DQAODNKIQLHDRQ-LBPRGKRZSA-N 1 2 279.746 3.354 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](C#N)CCC#N ZINC000433239039 372584206 /nfs/dbraw/zinc/58/42/06/372584206.db2.gz DQAODNKIQLHDRQ-LBPRGKRZSA-N 1 2 279.746 3.354 20 30 CGEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c1C ZINC000433329376 372594038 /nfs/dbraw/zinc/59/40/38/372594038.db2.gz XXQJZGGJJJKHGV-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c1C ZINC000433329376 372594044 /nfs/dbraw/zinc/59/40/44/372594044.db2.gz XXQJZGGJJJKHGV-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO C[C@@]1(c2ccccc2)CC[C@H]([N@H+](CC#N)C2CC2)C1 ZINC000437689648 372855037 /nfs/dbraw/zinc/85/50/37/372855037.db2.gz UEZWFBKGIHKELH-DLBZAZTESA-N 1 2 254.377 3.485 20 30 CGEDLO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+](CC#N)C2CC2)C1 ZINC000437689648 372855043 /nfs/dbraw/zinc/85/50/43/372855043.db2.gz UEZWFBKGIHKELH-DLBZAZTESA-N 1 2 254.377 3.485 20 30 CGEDLO CC#CCN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441363321 373003497 /nfs/dbraw/zinc/00/34/97/373003497.db2.gz ZAYZSZCMOGFTGL-AWEZNQCLSA-N 1 2 276.811 3.042 20 30 CGEDLO CC#CCN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441363325 373003884 /nfs/dbraw/zinc/00/38/84/373003884.db2.gz ZAYZSZCMOGFTGL-CQSZACIVSA-N 1 2 276.811 3.042 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nccnc1OC ZINC000296846816 373250190 /nfs/dbraw/zinc/25/01/90/373250190.db2.gz ONBXOIJSJSERBB-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nccnc1OC ZINC000296846816 373250201 /nfs/dbraw/zinc/25/02/01/373250201.db2.gz ONBXOIJSJSERBB-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO N#C[C@H]1CCC[C@H](Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000446754956 373356973 /nfs/dbraw/zinc/35/69/73/373356973.db2.gz YBAJOSFFNYUAIG-JSGCOSHPSA-N 1 2 255.365 3.455 20 30 CGEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(C)c1 ZINC000446969117 373387364 /nfs/dbraw/zinc/38/73/64/373387364.db2.gz GCRUKGKEXXHDKV-UHFFFAOYSA-N 1 2 290.370 3.270 20 30 CGEDLO Cc1cccc(CC[N@H+](CCC#N)Cc2ccccn2)c1 ZINC000449023744 373655619 /nfs/dbraw/zinc/65/56/19/373655619.db2.gz UJPTUOYNWKJXSV-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO Cc1cccc(CC[N@@H+](CCC#N)Cc2ccccn2)c1 ZINC000449023744 373655627 /nfs/dbraw/zinc/65/56/27/373655627.db2.gz UJPTUOYNWKJXSV-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1ccc(F)cc1C#N ZINC000301164022 373678587 /nfs/dbraw/zinc/67/85/87/373678587.db2.gz CZNFWZLOOLVSAA-UHFFFAOYSA-N 1 2 294.333 3.468 20 30 CGEDLO N#Cc1cc(F)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301368770 373761932 /nfs/dbraw/zinc/76/19/32/373761932.db2.gz OTLPITILGGGVFZ-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc(SC)cc1)C(=O)OCC ZINC000449655222 373838647 /nfs/dbraw/zinc/83/86/47/373838647.db2.gz GVCOWUHBAOMQPD-OAHLLOKOSA-N 1 2 293.432 3.396 20 30 CGEDLO N#CC[N@@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000180361528 373994901 /nfs/dbraw/zinc/99/49/01/373994901.db2.gz OLJYBZOIFYPPQH-UHFFFAOYSA-N 1 2 264.756 3.314 20 30 CGEDLO N#CC[N@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000180361528 373994915 /nfs/dbraw/zinc/99/49/15/373994915.db2.gz OLJYBZOIFYPPQH-UHFFFAOYSA-N 1 2 264.756 3.314 20 30 CGEDLO N#Cc1ccc(NCCCNc2cccc[nH+]2)c(F)c1 ZINC000180410467 373999485 /nfs/dbraw/zinc/99/94/85/373999485.db2.gz DZFAJHSJRNDMBT-UHFFFAOYSA-N 1 2 270.311 3.006 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450429551 374122307 /nfs/dbraw/zinc/12/23/07/374122307.db2.gz LVWBSMWZCLZZNI-UHFFFAOYSA-N 1 2 282.409 3.108 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1nc(C(=O)OC)cs1 ZINC000450429551 374122314 /nfs/dbraw/zinc/12/23/14/374122314.db2.gz LVWBSMWZCLZZNI-UHFFFAOYSA-N 1 2 282.409 3.108 20 30 CGEDLO C=CC(C)(C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000450539434 374158955 /nfs/dbraw/zinc/15/89/55/374158955.db2.gz JVLXTQHWHMKTSE-UHFFFAOYSA-N 1 2 289.423 3.114 20 30 CGEDLO CC(C)OCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000182166971 374228100 /nfs/dbraw/zinc/22/81/00/374228100.db2.gz QUMUUBJPWGMLEB-GZTJUZNOSA-N 1 2 257.333 3.389 20 30 CGEDLO N#CC[N@H+](CCCOCc1ccccc1)C1CCCC1 ZINC000182402859 374270622 /nfs/dbraw/zinc/27/06/22/374270622.db2.gz NVWGJQIIKRWRMN-UHFFFAOYSA-N 1 2 272.392 3.361 20 30 CGEDLO N#CC[N@@H+](CCCOCc1ccccc1)C1CCCC1 ZINC000182402859 374270624 /nfs/dbraw/zinc/27/06/24/374270624.db2.gz NVWGJQIIKRWRMN-UHFFFAOYSA-N 1 2 272.392 3.361 20 30 CGEDLO COc1cc[nH+]cc1COc1c(C)cc(C#N)cc1C ZINC000312649935 374288288 /nfs/dbraw/zinc/28/82/88/374288288.db2.gz KRUNSOBJABMXHX-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000183831818 374463498 /nfs/dbraw/zinc/46/34/98/374463498.db2.gz NDDVCURISDDNGT-SNVBAGLBSA-N 1 2 276.286 3.474 20 30 CGEDLO C=CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187314148 375002110 /nfs/dbraw/zinc/00/21/10/375002110.db2.gz VCUMTJWOCUHIIA-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187314148 375002115 /nfs/dbraw/zinc/00/21/15/375002115.db2.gz VCUMTJWOCUHIIA-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccc(F)c(F)c1 ZINC000187763545 375088747 /nfs/dbraw/zinc/08/87/47/375088747.db2.gz XMCIWHCWMFWBPH-OAHLLOKOSA-N 1 2 292.333 3.052 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000481304018 375163666 /nfs/dbraw/zinc/16/36/66/375163666.db2.gz XGQWSRFZTKJIIQ-GFCCVEGCSA-N 1 2 289.354 3.368 20 30 CGEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000481304018 375163670 /nfs/dbraw/zinc/16/36/70/375163670.db2.gz XGQWSRFZTKJIIQ-GFCCVEGCSA-N 1 2 289.354 3.368 20 30 CGEDLO Fc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000484089250 375186243 /nfs/dbraw/zinc/18/62/43/375186243.db2.gz XUAGJTZMQJSXPQ-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO Fc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000484089250 375186249 /nfs/dbraw/zinc/18/62/49/375186249.db2.gz XUAGJTZMQJSXPQ-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000488045518 375299755 /nfs/dbraw/zinc/29/97/55/375299755.db2.gz UBKXPFAKCSHKQE-CYBMUJFWSA-N 1 2 259.328 3.009 20 30 CGEDLO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000488045518 375299760 /nfs/dbraw/zinc/29/97/60/375299760.db2.gz UBKXPFAKCSHKQE-CYBMUJFWSA-N 1 2 259.328 3.009 20 30 CGEDLO C#CCN(Cc1ccccc1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000491191195 375324663 /nfs/dbraw/zinc/32/46/63/375324663.db2.gz AYELHEBZIXRAFK-UHFFFAOYSA-N 1 2 293.370 3.366 20 30 CGEDLO C#C[C@@H](NCc1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491628645 375338458 /nfs/dbraw/zinc/33/84/58/375338458.db2.gz KXGQLUISUMYDRL-CQSZACIVSA-N 1 2 273.767 3.021 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493315556 375467954 /nfs/dbraw/zinc/46/79/54/375467954.db2.gz FYCSWZMNXWIMBW-CMDGGOBGSA-N 1 2 273.380 3.018 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000190519172 375518072 /nfs/dbraw/zinc/51/80/72/375518072.db2.gz BRRNMJNHGSPBIQ-SFHVURJKSA-N 1 2 299.418 3.453 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CCC1 ZINC000191546394 375639630 /nfs/dbraw/zinc/63/96/30/375639630.db2.gz YULOFAKMKBBLTF-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+](CCC#N)CC2CC2)c1 ZINC000192054588 375693591 /nfs/dbraw/zinc/69/35/91/375693591.db2.gz PKFLHXZFDQULDZ-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000192054588 375693592 /nfs/dbraw/zinc/69/35/92/375693592.db2.gz PKFLHXZFDQULDZ-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000336244937 375763145 /nfs/dbraw/zinc/76/31/45/375763145.db2.gz XXGSFRCBXGVSJU-QGHHPUGFSA-N 1 2 294.358 3.319 20 30 CGEDLO N#CCC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000336290627 375772787 /nfs/dbraw/zinc/77/27/87/375772787.db2.gz ZJDZKKBMCBNULT-GFCCVEGCSA-N 1 2 279.181 3.152 20 30 CGEDLO N#CCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000336290627 375772795 /nfs/dbraw/zinc/77/27/95/375772795.db2.gz ZJDZKKBMCBNULT-GFCCVEGCSA-N 1 2 279.181 3.152 20 30 CGEDLO COc1cccc(C[C@H]2CCCCC[N@@H+]2CC#N)c1 ZINC000528750241 375908938 /nfs/dbraw/zinc/90/89/38/375908938.db2.gz QQJFENDOEXILQG-OAHLLOKOSA-N 1 2 258.365 3.006 20 30 CGEDLO COc1cccc(C[C@H]2CCCCC[N@H+]2CC#N)c1 ZINC000528750241 375908945 /nfs/dbraw/zinc/90/89/45/375908945.db2.gz QQJFENDOEXILQG-OAHLLOKOSA-N 1 2 258.365 3.006 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CCOc1ccccc1Cl)C1CC1 ZINC000533598066 375957910 /nfs/dbraw/zinc/95/79/10/375957910.db2.gz MXASAILOOKGTKL-LBPRGKRZSA-N 1 2 278.783 3.343 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CCOc1ccccc1Cl)C1CC1 ZINC000533598066 375957918 /nfs/dbraw/zinc/95/79/18/375957918.db2.gz MXASAILOOKGTKL-LBPRGKRZSA-N 1 2 278.783 3.343 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000529532260 375928303 /nfs/dbraw/zinc/92/83/03/375928303.db2.gz XOTYNWYGCLNINU-SNVBAGLBSA-N 1 2 286.297 3.448 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000529532260 375928309 /nfs/dbraw/zinc/92/83/09/375928309.db2.gz XOTYNWYGCLNINU-SNVBAGLBSA-N 1 2 286.297 3.448 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000530724597 375943407 /nfs/dbraw/zinc/94/34/07/375943407.db2.gz WGNOMRRZJSZNNW-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000530724597 375943415 /nfs/dbraw/zinc/94/34/15/375943415.db2.gz WGNOMRRZJSZNNW-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000535795989 376062566 /nfs/dbraw/zinc/06/25/66/376062566.db2.gz QHQMDIXTSSNBCZ-UHFFFAOYSA-N 1 2 256.271 3.228 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000535795989 376062571 /nfs/dbraw/zinc/06/25/71/376062571.db2.gz QHQMDIXTSSNBCZ-UHFFFAOYSA-N 1 2 256.271 3.228 20 30 CGEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000538350123 376234606 /nfs/dbraw/zinc/23/46/06/376234606.db2.gz CSGSGRBNGKIBMB-MRXNPFEDSA-N 1 2 294.402 3.404 20 30 CGEDLO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000538350123 376234612 /nfs/dbraw/zinc/23/46/12/376234612.db2.gz CSGSGRBNGKIBMB-MRXNPFEDSA-N 1 2 294.402 3.404 20 30 CGEDLO N#CCCCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337807280 376240759 /nfs/dbraw/zinc/24/07/59/376240759.db2.gz KWXAZDIXXGRGMA-UHFFFAOYSA-N 1 2 295.342 3.298 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cn1)Cc1ccccc1F ZINC000338234208 376291193 /nfs/dbraw/zinc/29/11/93/376291193.db2.gz ZKMFZBCVTVDVOO-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cn1)Cc1ccccc1F ZINC000338234208 376291202 /nfs/dbraw/zinc/29/12/02/376291202.db2.gz ZKMFZBCVTVDVOO-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO N#Cc1ccc(C[NH2+]CC(F)(F)c2ccccc2)cc1 ZINC000227899509 376419718 /nfs/dbraw/zinc/41/97/18/376419718.db2.gz FOAHYPAYLGZFDM-UHFFFAOYSA-N 1 2 272.298 3.440 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccc1F ZINC000339778020 376843215 /nfs/dbraw/zinc/84/32/15/376843215.db2.gz VSKLGRUWLQPOMB-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc1F ZINC000339778020 376843223 /nfs/dbraw/zinc/84/32/23/376843223.db2.gz VSKLGRUWLQPOMB-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000555751007 376859846 /nfs/dbraw/zinc/85/98/46/376859846.db2.gz MXJMGGZWBIYYMX-GOSISDBHSA-N 1 2 292.382 3.322 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000555751007 376859851 /nfs/dbraw/zinc/85/98/51/376859851.db2.gz MXJMGGZWBIYYMX-GOSISDBHSA-N 1 2 292.382 3.322 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CN1CCc2ccc(C#N)cc21 ZINC000339821141 376860723 /nfs/dbraw/zinc/86/07/23/376860723.db2.gz ZXXFYRSLAPHKDB-UHFFFAOYSA-N 1 2 288.354 3.077 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341134635 377413796 /nfs/dbraw/zinc/41/37/96/377413796.db2.gz JBFSEQHEJOVZDV-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341134635 377413800 /nfs/dbraw/zinc/41/38/00/377413800.db2.gz JBFSEQHEJOVZDV-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(Cl)s3)CC2)c1 ZINC000341241108 377461501 /nfs/dbraw/zinc/46/15/01/377461501.db2.gz XBILTNMFLCROPZ-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000567487909 377507259 /nfs/dbraw/zinc/50/72/59/377507259.db2.gz QXGVSYDFTPUOHK-UHFFFAOYSA-N 1 2 297.314 3.248 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000566628877 377498152 /nfs/dbraw/zinc/49/81/52/377498152.db2.gz UYATZVSYWYMBAM-DLBZAZTESA-N 1 2 299.418 3.022 20 30 CGEDLO COC(=O)c1occc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000342211714 377633437 /nfs/dbraw/zinc/63/34/37/377633437.db2.gz UOYRNXQDFIMSCZ-HNNXBMFYSA-N 1 2 298.342 3.201 20 30 CGEDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000255343845 377751542 /nfs/dbraw/zinc/75/15/42/377751542.db2.gz MMXYSVYRCNRKMH-WOLRVDTOSA-N 1 2 273.336 3.090 20 30 CGEDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000255343845 377751552 /nfs/dbraw/zinc/75/15/52/377751552.db2.gz MMXYSVYRCNRKMH-WOLRVDTOSA-N 1 2 273.336 3.090 20 30 CGEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000343309559 377950759 /nfs/dbraw/zinc/95/07/59/377950759.db2.gz MFQOBRWKRNGLRR-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000343309559 377950763 /nfs/dbraw/zinc/95/07/63/377950763.db2.gz MFQOBRWKRNGLRR-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000343324219 377953277 /nfs/dbraw/zinc/95/32/77/377953277.db2.gz WFFRDFKSLDMUFB-CQSZACIVSA-N 1 2 286.350 3.024 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000343324219 377953281 /nfs/dbraw/zinc/95/32/81/377953281.db2.gz WFFRDFKSLDMUFB-CQSZACIVSA-N 1 2 286.350 3.024 20 30 CGEDLO COc1cccc(C[N@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000343549732 378015787 /nfs/dbraw/zinc/01/57/87/378015787.db2.gz LXSDTNLDZGEZJQ-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000343549732 378015791 /nfs/dbraw/zinc/01/57/91/378015791.db2.gz LXSDTNLDZGEZJQ-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000264712407 377991895 /nfs/dbraw/zinc/99/18/95/377991895.db2.gz LHAIDKNGGXRIRZ-HNNXBMFYSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000264712407 377991902 /nfs/dbraw/zinc/99/19/02/377991902.db2.gz LHAIDKNGGXRIRZ-HNNXBMFYSA-N 1 2 296.361 3.260 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000579137915 378134389 /nfs/dbraw/zinc/13/43/89/378134389.db2.gz LSLORXJGXSFRFA-LLVKDONJSA-N 1 2 291.301 3.402 20 30 CGEDLO N#Cc1ccc(COc2ccccc2-n2cc[nH+]c2)cc1F ZINC000579303981 378148582 /nfs/dbraw/zinc/14/85/82/378148582.db2.gz LVZRHHVGAOUUSJ-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1SC ZINC000580723414 378253165 /nfs/dbraw/zinc/25/31/65/378253165.db2.gz ZEEOQHSLWOKLLT-NWDGAFQWSA-N 1 2 291.420 3.017 20 30 CGEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)c(OC(F)F)cc1C ZINC000271116922 378456060 /nfs/dbraw/zinc/45/60/60/378456060.db2.gz GATJNMUZBXGSTI-SNVBAGLBSA-N 1 2 282.334 3.496 20 30 CGEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)c(OC(F)F)cc1C ZINC000271116922 378456065 /nfs/dbraw/zinc/45/60/65/378456065.db2.gz GATJNMUZBXGSTI-SNVBAGLBSA-N 1 2 282.334 3.496 20 30 CGEDLO N#Cc1ccc(CNc2[nH+]cccc2OC(F)F)c(F)c1 ZINC000346106643 378466242 /nfs/dbraw/zinc/46/62/42/378466242.db2.gz YIMBTNYMNZRMKG-UHFFFAOYSA-N 1 2 293.248 3.306 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000271171416 378471255 /nfs/dbraw/zinc/47/12/55/378471255.db2.gz AGYOGAYWYZSDCQ-MVCPHERQSA-N 1 2 277.364 3.167 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000348053120 378768011 /nfs/dbraw/zinc/76/80/11/378768011.db2.gz ZVUXTCGYSDYCON-SNVBAGLBSA-N 1 2 263.410 3.395 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000274142297 378783373 /nfs/dbraw/zinc/78/33/73/378783373.db2.gz DGFKZJYHPNHDFD-UWVGGRQHSA-N 1 2 272.377 3.130 20 30 CGEDLO C=CC[N@H+](Cc1nccn1-c1ccccc1)C1CC1 ZINC000276795062 378997868 /nfs/dbraw/zinc/99/78/68/378997868.db2.gz UOAHEZWIUVOJMV-UHFFFAOYSA-N 1 2 253.349 3.023 20 30 CGEDLO C=CC[N@@H+](Cc1nccn1-c1ccccc1)C1CC1 ZINC000276795062 378997873 /nfs/dbraw/zinc/99/78/73/378997873.db2.gz UOAHEZWIUVOJMV-UHFFFAOYSA-N 1 2 253.349 3.023 20 30 CGEDLO Cc1ccn2c(/C=C/c3ccncc3C#N)c[nH+]c2c1 ZINC000347450605 218239044 /nfs/dbraw/zinc/23/90/44/218239044.db2.gz SJFXNITZRSABCC-NSCUHMNNSA-N 1 2 260.300 3.080 20 30 CGEDLO C=CC[C@@H]1CC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC(C)(C)C ZINC000639425881 379375736 /nfs/dbraw/zinc/37/57/36/379375736.db2.gz QEHSTZOZBZIMOT-DYVFJYSZSA-N 1 2 278.440 3.315 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000279471378 379443364 /nfs/dbraw/zinc/44/33/64/379443364.db2.gz VNJKKPULRZPHDH-RHSMWYFYSA-N 1 2 297.402 3.255 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000279471378 379443376 /nfs/dbraw/zinc/44/33/76/379443376.db2.gz VNJKKPULRZPHDH-RHSMWYFYSA-N 1 2 297.402 3.255 20 30 CGEDLO N#CCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376526471 379575125 /nfs/dbraw/zinc/57/51/25/379575125.db2.gz LFBGMNPDTUWXEG-CYBMUJFWSA-N 1 2 274.368 3.168 20 30 CGEDLO N#CCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376526471 379575137 /nfs/dbraw/zinc/57/51/37/379575137.db2.gz LFBGMNPDTUWXEG-CYBMUJFWSA-N 1 2 274.368 3.168 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccon1 ZINC000351604544 379728892 /nfs/dbraw/zinc/72/88/92/379728892.db2.gz MDBAKRLJLNIYNL-ZDUSSCGKSA-N 1 2 285.347 3.208 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352467991 379828175 /nfs/dbraw/zinc/82/81/75/379828175.db2.gz PEQJALBMQUNAHX-UHFFFAOYSA-N 1 2 299.349 3.478 20 30 CGEDLO CCOc1cc(C)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352832270 379989559 /nfs/dbraw/zinc/98/95/59/379989559.db2.gz FSBBRPQFWGZURY-UHFFFAOYSA-N 1 2 287.388 3.012 20 30 CGEDLO CCc1ccc(CN2CC[NH+]([C@@H](C)CCC#N)CC2)s1 ZINC000411288883 380140152 /nfs/dbraw/zinc/14/01/52/380140152.db2.gz FUZVAZFFEJDQET-AWEZNQCLSA-N 1 2 291.464 3.120 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)OC(C)(C)C ZINC000411481629 380146481 /nfs/dbraw/zinc/14/64/81/380146481.db2.gz AZQBGGBYTMJAID-ZDUSSCGKSA-N 1 2 279.380 3.040 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)OC(C)(C)C ZINC000411481629 380146484 /nfs/dbraw/zinc/14/64/84/380146484.db2.gz AZQBGGBYTMJAID-ZDUSSCGKSA-N 1 2 279.380 3.040 20 30 CGEDLO Cc1ccc(CCC[N@H+](CCC#N)Cc2ccco2)cn1 ZINC000353355373 380205024 /nfs/dbraw/zinc/20/50/24/380205024.db2.gz OKRNXHZUSLJFHN-UHFFFAOYSA-N 1 2 283.375 3.332 20 30 CGEDLO Cc1ccc(CCC[N@@H+](CCC#N)Cc2ccco2)cn1 ZINC000353355373 380205028 /nfs/dbraw/zinc/20/50/28/380205028.db2.gz OKRNXHZUSLJFHN-UHFFFAOYSA-N 1 2 283.375 3.332 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnc(-c2ccccn2)s1)C1CC1 ZINC000354034526 380289631 /nfs/dbraw/zinc/28/96/31/380289631.db2.gz RORBWYIBPIQPHX-GFCCVEGCSA-N 1 2 298.415 3.329 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnc(-c2ccccn2)s1)C1CC1 ZINC000354034526 380289634 /nfs/dbraw/zinc/28/96/34/380289634.db2.gz RORBWYIBPIQPHX-GFCCVEGCSA-N 1 2 298.415 3.329 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486474 380801330 /nfs/dbraw/zinc/80/13/30/380801330.db2.gz YDBMMDMISZWBSY-UKRRQHHQSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486474 380801335 /nfs/dbraw/zinc/80/13/35/380801335.db2.gz YDBMMDMISZWBSY-UKRRQHHQSA-N 1 2 287.407 3.112 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951846 380863765 /nfs/dbraw/zinc/86/37/65/380863765.db2.gz RFDNKFLXFGKBSA-VXGBXAGGSA-N 1 2 273.302 3.094 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951846 380863777 /nfs/dbraw/zinc/86/37/77/380863777.db2.gz RFDNKFLXFGKBSA-VXGBXAGGSA-N 1 2 273.302 3.094 20 30 CGEDLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000356959130 380956049 /nfs/dbraw/zinc/95/60/49/380956049.db2.gz XLYSPFPTRZQMLB-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000356959130 380956054 /nfs/dbraw/zinc/95/60/54/380956054.db2.gz XLYSPFPTRZQMLB-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO C=C(C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000358741000 381325899 /nfs/dbraw/zinc/32/58/99/381325899.db2.gz DFTHHGSGIQXWQV-KRWDZBQOSA-N 1 2 290.370 3.197 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000361316399 381691077 /nfs/dbraw/zinc/69/10/77/381691077.db2.gz PURFMNUYMFOMMF-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000361316399 381691081 /nfs/dbraw/zinc/69/10/81/381691081.db2.gz PURFMNUYMFOMMF-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO CCCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000369026776 382384649 /nfs/dbraw/zinc/38/46/49/382384649.db2.gz DOYTZISGRICOCY-HNNXBMFYSA-N 1 2 272.396 3.454 20 30 CGEDLO COc1ccc(C#N)cc1NCc1c[nH+]c2ccc(C)cn12 ZINC000354843708 533274183 /nfs/dbraw/zinc/27/41/83/533274183.db2.gz BWUZFMORAZBWJZ-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192182084 533444345 /nfs/dbraw/zinc/44/43/45/533444345.db2.gz QZYHCBIBMGCSLY-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCCc2cccc(C)[nH+]2)c1 ZINC000359838910 542581618 /nfs/dbraw/zinc/58/16/18/542581618.db2.gz QGTFLDGPSYFNJK-UHFFFAOYSA-N 1 2 279.343 3.119 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000093090556 392234770 /nfs/dbraw/zinc/23/47/70/392234770.db2.gz CLNMUCGBHOGNTF-NSHDSACASA-N 1 2 268.307 3.064 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000093090556 392234774 /nfs/dbraw/zinc/23/47/74/392234774.db2.gz CLNMUCGBHOGNTF-NSHDSACASA-N 1 2 268.307 3.064 20 30 CGEDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000361752282 392313723 /nfs/dbraw/zinc/31/37/23/392313723.db2.gz WCKCRPQJWRSWMA-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000285976434 392358536 /nfs/dbraw/zinc/35/85/36/392358536.db2.gz FBWTXZXQPLIJDY-MRXNPFEDSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000285976434 392358542 /nfs/dbraw/zinc/35/85/42/392358542.db2.gz FBWTXZXQPLIJDY-MRXNPFEDSA-N 1 2 285.778 3.252 20 30 CGEDLO C=CCCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000286927845 392391123 /nfs/dbraw/zinc/39/11/23/392391123.db2.gz GQMCOKJRVRPOMS-UHFFFAOYSA-N 1 2 298.390 3.134 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H](C)C2CCOCC2)c1O ZINC000122894981 392424120 /nfs/dbraw/zinc/42/41/20/392424120.db2.gz NDOLWYPUCOCRHN-OOIIIRTPSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1 ZINC000289709533 392430253 /nfs/dbraw/zinc/43/02/53/392430253.db2.gz OVKLSGJXZMWLRH-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1 ZINC000289709533 392430255 /nfs/dbraw/zinc/43/02/55/392430255.db2.gz OVKLSGJXZMWLRH-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)no1 ZINC000366570751 392455346 /nfs/dbraw/zinc/45/53/46/392455346.db2.gz MWOAUMBMCURADQ-QGZVFWFLSA-N 1 2 284.334 3.311 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)no1 ZINC000366570751 392455355 /nfs/dbraw/zinc/45/53/55/392455355.db2.gz MWOAUMBMCURADQ-QGZVFWFLSA-N 1 2 284.334 3.311 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000155898990 392544871 /nfs/dbraw/zinc/54/48/71/392544871.db2.gz XKLQHQIODZWYDU-UHFFFAOYSA-N 1 2 259.378 3.213 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000155898990 392544876 /nfs/dbraw/zinc/54/48/76/392544876.db2.gz XKLQHQIODZWYDU-UHFFFAOYSA-N 1 2 259.378 3.213 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372467555 392613283 /nfs/dbraw/zinc/61/32/83/392613283.db2.gz WIWZGWWIBDRQNU-CYBMUJFWSA-N 1 2 289.423 3.063 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372467555 392613285 /nfs/dbraw/zinc/61/32/85/392613285.db2.gz WIWZGWWIBDRQNU-CYBMUJFWSA-N 1 2 289.423 3.063 20 30 CGEDLO C=CCOCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000338884074 392934419 /nfs/dbraw/zinc/93/44/19/392934419.db2.gz PSMICBPXPDLSIH-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO C=CCOCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000338884074 392934426 /nfs/dbraw/zinc/93/44/26/392934426.db2.gz PSMICBPXPDLSIH-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)ccc1F ZINC000339059265 392943885 /nfs/dbraw/zinc/94/38/85/392943885.db2.gz IUTPTTRQGRXVFB-KMFMINBZSA-N 1 2 288.366 3.200 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)ccc1F ZINC000339059265 392943891 /nfs/dbraw/zinc/94/38/91/392943891.db2.gz IUTPTTRQGRXVFB-KMFMINBZSA-N 1 2 288.366 3.200 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000351179888 393165532 /nfs/dbraw/zinc/16/55/32/393165532.db2.gz FNFTYDHPEHYQRW-XHDPSFHLSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000351179888 393165540 /nfs/dbraw/zinc/16/55/40/393165540.db2.gz FNFTYDHPEHYQRW-XHDPSFHLSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH+]3CCC(F)(C#N)CC3)sc2C1 ZINC000348708165 393129492 /nfs/dbraw/zinc/12/94/92/393129492.db2.gz KISVEGYTNWHXJR-LLVKDONJSA-N 1 2 293.411 3.096 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1C ZINC000348872237 393134194 /nfs/dbraw/zinc/13/41/94/393134194.db2.gz BXDZSGNKRNTEGI-UHFFFAOYSA-N 1 2 287.411 3.074 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c[nH]nc1C ZINC000348872237 393134200 /nfs/dbraw/zinc/13/42/00/393134200.db2.gz BXDZSGNKRNTEGI-UHFFFAOYSA-N 1 2 287.411 3.074 20 30 CGEDLO C[N@H+](Cc1conc1Cc1ccccc1)CC(C)(C)C#N ZINC000354016955 393237138 /nfs/dbraw/zinc/23/71/38/393237138.db2.gz FKIFXIIRBWMKAX-UHFFFAOYSA-N 1 2 283.375 3.247 20 30 CGEDLO C[N@@H+](Cc1conc1Cc1ccccc1)CC(C)(C)C#N ZINC000354016955 393237146 /nfs/dbraw/zinc/23/71/46/393237146.db2.gz FKIFXIIRBWMKAX-UHFFFAOYSA-N 1 2 283.375 3.247 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000355442663 393324594 /nfs/dbraw/zinc/32/45/94/393324594.db2.gz ADMHMFNWTOYWJX-QGZVFWFLSA-N 1 2 286.419 3.270 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649599733 393508900 /nfs/dbraw/zinc/50/89/00/393508900.db2.gz LRXXOWHPIBGZJZ-HNNXBMFYSA-N 1 2 283.375 3.049 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2ccc(F)cc2[nH]1 ZINC000430094277 393521621 /nfs/dbraw/zinc/52/16/21/393521621.db2.gz JLMDFXFNFXZKSN-UHFFFAOYSA-N 1 2 257.312 3.209 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2ccc(F)cc2[nH]1 ZINC000430094277 393521624 /nfs/dbraw/zinc/52/16/24/393521624.db2.gz JLMDFXFNFXZKSN-UHFFFAOYSA-N 1 2 257.312 3.209 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(F)nc1C)c1ccc(F)cc1 ZINC000491464803 393690976 /nfs/dbraw/zinc/69/09/76/393690976.db2.gz TZGOSNPKPXACQM-OAHLLOKOSA-N 1 2 272.298 3.132 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccn1C)c1ccc(Cl)cc1F ZINC000491525219 393695462 /nfs/dbraw/zinc/69/54/62/393695462.db2.gz QUPHXAVCNINYRL-OAHLLOKOSA-N 1 2 276.742 3.282 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000673606101 543246592 /nfs/dbraw/zinc/24/65/92/543246592.db2.gz AONHRKDZXNRMOB-HNNXBMFYSA-N 1 2 277.318 3.105 20 30 CGEDLO C=CC[N@H+](Cc1cn[nH]c1)Cc1ccc(Cl)s1 ZINC000678125217 543486040 /nfs/dbraw/zinc/48/60/40/543486040.db2.gz QPCFOUAMOHCEHO-UHFFFAOYSA-N 1 2 267.785 3.313 20 30 CGEDLO C=CC[N@@H+](Cc1cn[nH]c1)Cc1ccc(Cl)s1 ZINC000678125217 543486043 /nfs/dbraw/zinc/48/60/43/543486043.db2.gz QPCFOUAMOHCEHO-UHFFFAOYSA-N 1 2 267.785 3.313 20 30 CGEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000285479403 286304901 /nfs/dbraw/zinc/30/49/01/286304901.db2.gz VRVJBAVYAGUTSI-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000285479403 286304902 /nfs/dbraw/zinc/30/49/02/286304902.db2.gz VRVJBAVYAGUTSI-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)o1)Cc1c(F)cccc1F ZINC000092935682 165315740 /nfs/dbraw/zinc/31/57/40/165315740.db2.gz NDLIHMCQWCSGGR-UHFFFAOYSA-N 1 2 276.286 3.452 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)o1)Cc1c(F)cccc1F ZINC000092935682 165315744 /nfs/dbraw/zinc/31/57/44/165315744.db2.gz NDLIHMCQWCSGGR-UHFFFAOYSA-N 1 2 276.286 3.452 20 30 CGEDLO N#Cc1cccnc1Nc1ccc([NH+]2CCCC2)cc1 ZINC000022804413 171399233 /nfs/dbraw/zinc/39/92/33/171399233.db2.gz AGWVTQHMMQOKHI-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO N#Cc1c(F)cccc1Sc1[nH+]cc2ccccn21 ZINC000072072998 176312588 /nfs/dbraw/zinc/31/25/88/176312588.db2.gz JNRHOBCQAIMHTJ-UHFFFAOYSA-N 1 2 269.304 3.496 20 30 CGEDLO C=CCOc1ccc(CNc2c[nH]c[nH+]2)cc1Cl ZINC000684836021 544032714 /nfs/dbraw/zinc/03/27/14/544032714.db2.gz OBFAPUBUFACKQR-UHFFFAOYSA-N 1 2 263.728 3.240 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C2CC2)[nH+]c(C)c1OC ZINC000664572268 418979910 /nfs/dbraw/zinc/97/99/10/418979910.db2.gz NXKUXFBNJVGQPK-OKILXGFUSA-N 1 2 285.391 3.358 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cc(C)ccc2C)nn1 ZINC000653642867 419065107 /nfs/dbraw/zinc/06/51/07/419065107.db2.gz ZXIJOBMHWKHUAR-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2cc(C)ccc2C)nn1 ZINC000653642867 419065108 /nfs/dbraw/zinc/06/51/08/419065108.db2.gz ZXIJOBMHWKHUAR-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@@H](C)OCC)n1)[C@@H](C)COC ZINC000661244616 419244791 /nfs/dbraw/zinc/24/47/91/419244791.db2.gz WMFIVUIAZSYJER-QWHCGFSZSA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@@H](C)OCC)n1)[C@@H](C)COC ZINC000661244616 419244793 /nfs/dbraw/zinc/24/47/93/419244793.db2.gz WMFIVUIAZSYJER-QWHCGFSZSA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(C(F)(F)F)s2)C1 ZINC000661385862 419256842 /nfs/dbraw/zinc/25/68/42/419256842.db2.gz QKKJOZSVPPTTFB-SECBINFHSA-N 1 2 291.342 3.345 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2nnc(C(F)(F)F)s2)C1 ZINC000661385862 419256845 /nfs/dbraw/zinc/25/68/45/419256845.db2.gz QKKJOZSVPPTTFB-SECBINFHSA-N 1 2 291.342 3.345 20 30 CGEDLO C=CCOCC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661735835 419292324 /nfs/dbraw/zinc/29/23/24/419292324.db2.gz JPOQYLUJUAMXGF-MRXNPFEDSA-N 1 2 293.382 3.180 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661735835 419292326 /nfs/dbraw/zinc/29/23/26/419292326.db2.gz JPOQYLUJUAMXGF-MRXNPFEDSA-N 1 2 293.382 3.180 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000330053813 228027581 /nfs/dbraw/zinc/02/75/81/228027581.db2.gz QZLNYRLAZSDACH-YJBOKZPZSA-N 1 2 295.386 3.469 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000352086676 228181124 /nfs/dbraw/zinc/18/11/24/228181124.db2.gz GVMYGRQOBYFMJA-JTQLQIEISA-N 1 2 272.270 3.177 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000352086676 228181125 /nfs/dbraw/zinc/18/11/25/228181125.db2.gz GVMYGRQOBYFMJA-JTQLQIEISA-N 1 2 272.270 3.177 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1nc(C)no1 ZINC000662288053 419386300 /nfs/dbraw/zinc/38/63/00/419386300.db2.gz UIJOUVAEKQQSFP-JTQLQIEISA-N 1 2 263.366 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1nc(C)no1 ZINC000662288053 419386305 /nfs/dbraw/zinc/38/63/05/419386305.db2.gz UIJOUVAEKQQSFP-JTQLQIEISA-N 1 2 263.366 3.189 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000297818080 260135055 /nfs/dbraw/zinc/13/50/55/260135055.db2.gz JAYNGHZFOLPNOW-ZDUSSCGKSA-N 1 2 276.355 3.135 20 30 CGEDLO C[C@H](Nc1cccc(OCCCC#N)c1)c1[nH+]ccn1C ZINC000070445080 260157448 /nfs/dbraw/zinc/15/74/48/260157448.db2.gz ZQIDIWYXIDVDPU-ZDUSSCGKSA-N 1 2 284.363 3.276 20 30 CGEDLO N#C[C@H]1[N@H+](CCC2CCCC2)CCC[C@]12CCCCO2 ZINC000447912474 260163401 /nfs/dbraw/zinc/16/34/01/260163401.db2.gz KDMOGCVUNPBHEJ-IAGOWNOFSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@H]1[N@@H+](CCC2CCCC2)CCC[C@]12CCCCO2 ZINC000447912474 260163402 /nfs/dbraw/zinc/16/34/02/260163402.db2.gz KDMOGCVUNPBHEJ-IAGOWNOFSA-N 1 2 276.424 3.494 20 30 CGEDLO N#CCC[N@H+](CCCOc1ccccc1)Cc1ccco1 ZINC000078665912 260301642 /nfs/dbraw/zinc/30/16/42/260301642.db2.gz OLXMYDKSYGQQOJ-UHFFFAOYSA-N 1 2 284.359 3.464 20 30 CGEDLO N#CCC[N@@H+](CCCOc1ccccc1)Cc1ccco1 ZINC000078665912 260301643 /nfs/dbraw/zinc/30/16/43/260301643.db2.gz OLXMYDKSYGQQOJ-UHFFFAOYSA-N 1 2 284.359 3.464 20 30 CGEDLO CC[C@@](C)([NH2+]CCCC1(C#N)CCOCC1)C(F)(F)F ZINC000525709631 261055478 /nfs/dbraw/zinc/05/54/78/261055478.db2.gz VYVLLJVOQQHZFU-GFCCVEGCSA-N 1 2 292.345 3.408 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000194486396 262238462 /nfs/dbraw/zinc/23/84/62/262238462.db2.gz SGIGSADXLQYTDJ-JTQLQIEISA-N 1 2 261.350 3.185 20 30 CGEDLO COc1ccccc1/C=C\C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354045531 262357651 /nfs/dbraw/zinc/35/76/51/262357651.db2.gz VKDUTZZKYVPMGD-VSKVDJIOSA-N 1 2 270.376 3.332 20 30 CGEDLO COc1ccccc1/C=C\C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354045531 262357653 /nfs/dbraw/zinc/35/76/53/262357653.db2.gz VKDUTZZKYVPMGD-VSKVDJIOSA-N 1 2 270.376 3.332 20 30 CGEDLO C[C@H]([NH2+]CCC(C)(C)C#N)c1nc(Cc2ccccc2)no1 ZINC000273281786 263014577 /nfs/dbraw/zinc/01/45/77/263014577.db2.gz GWXOQWJHHHYGKQ-ZDUSSCGKSA-N 1 2 298.390 3.251 20 30 CGEDLO Cc1cccc2[nH+]c(CN3CCCC(C)(C)[C@H]3C#N)cn21 ZINC000277939713 263044716 /nfs/dbraw/zinc/04/47/16/263044716.db2.gz ZGFWSBKULNSGCM-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000280485187 263062136 /nfs/dbraw/zinc/06/21/36/263062136.db2.gz OHGASCQKLBEAKB-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000280485187 263062137 /nfs/dbraw/zinc/06/21/37/263062137.db2.gz OHGASCQKLBEAKB-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)nc2ccccc12 ZINC000292350047 263131414 /nfs/dbraw/zinc/13/14/14/263131414.db2.gz XJEMAXRNESODOB-UHFFFAOYSA-N 1 2 265.360 3.445 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(C)nc2ccccc12 ZINC000292350047 263131415 /nfs/dbraw/zinc/13/14/15/263131415.db2.gz XJEMAXRNESODOB-UHFFFAOYSA-N 1 2 265.360 3.445 20 30 CGEDLO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CC#N ZINC000293039542 263137195 /nfs/dbraw/zinc/13/71/95/263137195.db2.gz LZWRZEGGVOQTNS-AWEZNQCLSA-N 1 2 250.773 3.410 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000293513222 263142516 /nfs/dbraw/zinc/14/25/16/263142516.db2.gz CHIJYYDDQBIVAH-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(Cl)c1O ZINC000297739157 263208596 /nfs/dbraw/zinc/20/85/96/263208596.db2.gz KIHHCMGHHSGTBC-JTQLQIEISA-N 1 2 282.771 3.036 20 30 CGEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(Cl)c1O ZINC000297739157 263208597 /nfs/dbraw/zinc/20/85/97/263208597.db2.gz KIHHCMGHHSGTBC-JTQLQIEISA-N 1 2 282.771 3.036 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298155971 263215576 /nfs/dbraw/zinc/21/55/76/263215576.db2.gz AGTOZNBINRCABB-SNVBAGLBSA-N 1 2 272.270 3.177 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298155971 263215577 /nfs/dbraw/zinc/21/55/77/263215577.db2.gz AGTOZNBINRCABB-SNVBAGLBSA-N 1 2 272.270 3.177 20 30 CGEDLO CC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1C)c1[nH]cc[nH+]1 ZINC000331017874 264097602 /nfs/dbraw/zinc/09/76/02/264097602.db2.gz ZBMGHLTVZOICIY-GFCCVEGCSA-N 1 2 289.383 3.126 20 30 CGEDLO COCCC(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331317056 264188189 /nfs/dbraw/zinc/18/81/89/264188189.db2.gz JNAKZEAPSVKVFB-UHFFFAOYSA-N 1 2 293.411 3.395 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343253180 264210328 /nfs/dbraw/zinc/21/03/28/264210328.db2.gz APDCEYPUBBILSQ-HNNXBMFYSA-N 1 2 297.402 3.406 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999556 266229191 /nfs/dbraw/zinc/22/91/91/266229191.db2.gz VECIPQBVXIDLKO-DOTOQJQBSA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999556 266229193 /nfs/dbraw/zinc/22/91/93/266229193.db2.gz VECIPQBVXIDLKO-DOTOQJQBSA-N 1 2 287.407 3.002 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)C1CC1 ZINC000357554218 266323399 /nfs/dbraw/zinc/32/33/99/266323399.db2.gz OBEPVEBWHDQWKE-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)C1CC1 ZINC000357554218 266323402 /nfs/dbraw/zinc/32/34/02/266323402.db2.gz OBEPVEBWHDQWKE-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO COc1cccc(C2=CC[N@H+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000363128520 267076336 /nfs/dbraw/zinc/07/63/36/267076336.db2.gz RMGFXZREKAVNSZ-OAHLLOKOSA-N 1 2 295.386 3.228 20 30 CGEDLO COc1cccc(C2=CC[N@@H+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000363128520 267076339 /nfs/dbraw/zinc/07/63/39/267076339.db2.gz RMGFXZREKAVNSZ-OAHLLOKOSA-N 1 2 295.386 3.228 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1)Cc1cccs1 ZINC000019540382 267237965 /nfs/dbraw/zinc/23/79/65/267237965.db2.gz BISBKPSQNBZVPB-UHFFFAOYSA-N 1 2 286.400 3.375 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1)Cc1cccs1 ZINC000019540382 267237968 /nfs/dbraw/zinc/23/79/68/267237968.db2.gz BISBKPSQNBZVPB-UHFFFAOYSA-N 1 2 286.400 3.375 20 30 CGEDLO CCCn1c2ccccc2nc1C[NH2+]CC1(C#N)CCC1 ZINC000418139670 267362054 /nfs/dbraw/zinc/36/20/54/267362054.db2.gz IFDDLBZBGZSQLD-UHFFFAOYSA-N 1 2 282.391 3.230 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Br)cc2F)CCC1 ZINC000418143754 267364871 /nfs/dbraw/zinc/36/48/71/267364871.db2.gz QWRHOXVCQIDUQD-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO CC(C)(C)c1ncc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000348711810 277275328 /nfs/dbraw/zinc/27/53/28/277275328.db2.gz SBLIXEQHWRCDEX-UHFFFAOYSA-N 1 2 281.400 3.268 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000336481364 278171371 /nfs/dbraw/zinc/17/13/71/278171371.db2.gz JVIMYKLEHGHCNC-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCCc2ccc(C)[nH+]c2)c1 ZINC000541577129 288708836 /nfs/dbraw/zinc/70/88/36/288708836.db2.gz IGRBESXSJPGOLF-UHFFFAOYSA-N 1 2 279.343 3.119 20 30 CGEDLO C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCC#N ZINC000194971530 336041114 /nfs/dbraw/zinc/04/11/14/336041114.db2.gz FKUJMRTWDRQAEM-JTQLQIEISA-N 1 2 267.170 3.356 20 30 CGEDLO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCC#N ZINC000194971530 336041116 /nfs/dbraw/zinc/04/11/16/336041116.db2.gz FKUJMRTWDRQAEM-JTQLQIEISA-N 1 2 267.170 3.356 20 30 CGEDLO CSc1cccc(F)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000571270267 328096624 /nfs/dbraw/zinc/09/66/24/328096624.db2.gz APVWFRHPYWFCBO-LLVKDONJSA-N 1 2 277.368 3.081 20 30 CGEDLO CCc1ccccc1NC(=O)C[N@H+](C)CCC(C)(C)C#N ZINC000538487827 328378482 /nfs/dbraw/zinc/37/84/82/328378482.db2.gz ALLUCNHOJROEFZ-UHFFFAOYSA-N 1 2 287.407 3.059 20 30 CGEDLO CCc1ccccc1NC(=O)C[N@@H+](C)CCC(C)(C)C#N ZINC000538487827 328378483 /nfs/dbraw/zinc/37/84/83/328378483.db2.gz ALLUCNHOJROEFZ-UHFFFAOYSA-N 1 2 287.407 3.059 20 30 CGEDLO CCOc1ccccc1OCC[N@H+](CC#N)C1CCCC1 ZINC000088401927 327025043 /nfs/dbraw/zinc/02/50/43/327025043.db2.gz HBQQLCCDOZXVIL-UHFFFAOYSA-N 1 2 288.391 3.232 20 30 CGEDLO CCOc1ccccc1OCC[N@@H+](CC#N)C1CCCC1 ZINC000088401927 327025044 /nfs/dbraw/zinc/02/50/44/327025044.db2.gz HBQQLCCDOZXVIL-UHFFFAOYSA-N 1 2 288.391 3.232 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000555710175 327249603 /nfs/dbraw/zinc/24/96/03/327249603.db2.gz XLFJDBXGMZIKAJ-UHFFFAOYSA-N 1 2 275.402 3.265 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(C)s1)c1ccco1 ZINC000560547916 327323338 /nfs/dbraw/zinc/32/33/38/327323338.db2.gz IDHORZWHAALINO-NSHDSACASA-N 1 2 263.366 3.237 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(Nc2ccccc2)n1 ZINC000566429682 327361398 /nfs/dbraw/zinc/36/13/98/327361398.db2.gz WLGHSVBWDIEEHY-LBPRGKRZSA-N 1 2 286.404 3.090 20 30 CGEDLO CC[C@@H](C#N)[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000122252855 327361795 /nfs/dbraw/zinc/36/17/95/327361795.db2.gz JGPMMPOCYWRXQL-GJZGRUSLSA-N 1 2 260.381 3.154 20 30 CGEDLO CCCCCCCCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378315721 329045807 /nfs/dbraw/zinc/04/58/07/329045807.db2.gz PIHQUJZMHNGAKJ-ZDUSSCGKSA-N 1 2 277.412 3.134 20 30 CGEDLO CCCCCCCCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378315721 329045808 /nfs/dbraw/zinc/04/58/08/329045808.db2.gz PIHQUJZMHNGAKJ-ZDUSSCGKSA-N 1 2 277.412 3.134 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459487752 329264523 /nfs/dbraw/zinc/26/45/23/329264523.db2.gz WBWLKMMLRTXLHS-JOYOIKCWSA-N 1 2 279.727 3.030 20 30 CGEDLO C=CCn1c(C)nnc1SCc1ccc(C)[nH+]c1C ZINC000187274182 329356270 /nfs/dbraw/zinc/35/62/70/329356270.db2.gz BBHVXGNTSXJHPD-UHFFFAOYSA-N 1 2 274.393 3.077 20 30 CGEDLO CC(C)c1nnc(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000580427669 330130553 /nfs/dbraw/zinc/13/05/53/330130553.db2.gz JFCCQYHMTFCQQI-UHFFFAOYSA-N 1 2 278.425 3.177 20 30 CGEDLO CC[C@@H](C#N)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000435931735 330665616 /nfs/dbraw/zinc/66/56/16/330665616.db2.gz ZJSKWOUHIQADPV-DOTOQJQBSA-N 1 2 282.391 3.133 20 30 CGEDLO COc1ccc(OC)c([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450667339 330992153 /nfs/dbraw/zinc/99/21/53/330992153.db2.gz ZVTMRQXTPGJOAW-GFCCVEGCSA-N 1 2 274.364 3.048 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000459345604 331277245 /nfs/dbraw/zinc/27/72/45/331277245.db2.gz VWSUIMVHTQFPNM-UHFFFAOYSA-N 1 2 272.396 3.116 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000459345604 331277246 /nfs/dbraw/zinc/27/72/46/331277246.db2.gz VWSUIMVHTQFPNM-UHFFFAOYSA-N 1 2 272.396 3.116 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000489469047 332054688 /nfs/dbraw/zinc/05/46/88/332054688.db2.gz CPMPJFPAGSMAJV-INIZCTEOSA-N 1 2 297.402 3.395 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000489469047 332054689 /nfs/dbraw/zinc/05/46/89/332054689.db2.gz CPMPJFPAGSMAJV-INIZCTEOSA-N 1 2 297.402 3.395 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000490080111 332080653 /nfs/dbraw/zinc/08/06/53/332080653.db2.gz NGJHURWSGVEQEK-SSDOTTSWSA-N 1 2 275.299 3.116 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C)n1 ZINC000491180105 332161132 /nfs/dbraw/zinc/16/11/32/332161132.db2.gz JUCONBXCJOOSJX-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C)n1 ZINC000491180105 332161134 /nfs/dbraw/zinc/16/11/34/332161134.db2.gz JUCONBXCJOOSJX-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC1 ZINC000491231391 332170990 /nfs/dbraw/zinc/17/09/90/332170990.db2.gz SWIWBTZDQWDIFE-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)C1CC1 ZINC000491231391 332170992 /nfs/dbraw/zinc/17/09/92/332170992.db2.gz SWIWBTZDQWDIFE-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(F)cc1 ZINC000491316400 332189081 /nfs/dbraw/zinc/18/90/81/332189081.db2.gz VFCRXAZJSCXLDF-KRWDZBQOSA-N 1 2 285.366 3.376 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc(F)cc1 ZINC000491496749 332223310 /nfs/dbraw/zinc/22/33/10/332223310.db2.gz SRICAOGPWXMXOY-OAHLLOKOSA-N 1 2 295.317 3.273 20 30 CGEDLO Cc1cc[nH+]c(N[C@@H]2CC[C@H](C#N)C2)c1Br ZINC000335598977 335095536 /nfs/dbraw/zinc/09/55/36/335095536.db2.gz ODWOCEKIGBIKNF-VHSXEESVSA-N 1 2 280.169 3.257 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000491626242 332249925 /nfs/dbraw/zinc/24/99/25/332249925.db2.gz IJLQFVAJKRBZLY-GFCCVEGCSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000491626242 332249927 /nfs/dbraw/zinc/24/99/27/332249927.db2.gz IJLQFVAJKRBZLY-GFCCVEGCSA-N 1 2 256.374 3.264 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000500803103 332619325 /nfs/dbraw/zinc/61/93/25/332619325.db2.gz SGRIGPLUQINGRG-ZIAGYGMSSA-N 1 2 281.783 3.498 20 30 CGEDLO CCOC[C@@H]([NH2+][C@@H](C#N)C1CCCCC1)C(C)C ZINC000189806407 333199416 /nfs/dbraw/zinc/19/94/16/333199416.db2.gz NAIMOTLFCPCGKI-LSDHHAIUSA-N 1 2 252.402 3.110 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+]CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000539613821 333681296 /nfs/dbraw/zinc/68/12/96/333681296.db2.gz RHIANFAOWQZHCB-STQMWFEESA-N 1 2 282.428 3.272 20 30 CGEDLO CCc1cc(N(C)C[C@@H](C)C#N)c2ccccc2[nH+]1 ZINC000540284872 333723263 /nfs/dbraw/zinc/72/32/63/333723263.db2.gz CKPUHXRERYKDAN-LBPRGKRZSA-N 1 2 253.349 3.393 20 30 CGEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1SC ZINC000545927811 334006957 /nfs/dbraw/zinc/00/69/57/334006957.db2.gz DFMIJRMOPMQTEK-UHFFFAOYSA-N 1 2 299.399 3.490 20 30 CGEDLO CC(C)CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135148996 334117768 /nfs/dbraw/zinc/11/77/68/334117768.db2.gz OAYAOGGKWHBPMI-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135148996 334117769 /nfs/dbraw/zinc/11/77/69/334117769.db2.gz OAYAOGGKWHBPMI-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000079542394 334156598 /nfs/dbraw/zinc/15/65/98/334156598.db2.gz OCMOXJWUQPCQPH-UHFFFAOYSA-N 1 2 283.356 3.258 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]ccc(C)c1Cl ZINC000553557109 334391181 /nfs/dbraw/zinc/39/11/81/334391181.db2.gz UPPLDURLNSPNAJ-WCQYABFASA-N 1 2 266.772 3.437 20 30 CGEDLO Cn1cc(C[N@@H+]2CCc3sc(Cl)cc3C2)cc1C#N ZINC000576824424 335252315 /nfs/dbraw/zinc/25/23/15/335252315.db2.gz VUTVHLIEYFDBOT-UHFFFAOYSA-N 1 2 291.807 3.170 20 30 CGEDLO Cn1cc(C[N@H+]2CCc3sc(Cl)cc3C2)cc1C#N ZINC000576824424 335252316 /nfs/dbraw/zinc/25/23/16/335252316.db2.gz VUTVHLIEYFDBOT-UHFFFAOYSA-N 1 2 291.807 3.170 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000580842067 335974424 /nfs/dbraw/zinc/97/44/24/335974424.db2.gz VHYSXLUMVMHUAZ-NEPJUHHUSA-N 1 2 293.798 3.257 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C)cccc1C(C)C ZINC000581140490 336014720 /nfs/dbraw/zinc/01/47/20/336014720.db2.gz MVWIGHWBYIGARB-AWEZNQCLSA-N 1 2 287.407 3.339 20 30 CGEDLO Cc1cc(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425231007 534034454 /nfs/dbraw/zinc/03/44/54/534034454.db2.gz MLQNQTJLEJNZMC-AAEUAGOBSA-N 1 2 297.324 3.464 20 30 CGEDLO CCC[N@H+](CCCOc1cccc(C#N)c1)CC(F)F ZINC000155996071 521652828 /nfs/dbraw/zinc/65/28/28/521652828.db2.gz GACZJDXQBGQGLS-UHFFFAOYSA-N 1 2 282.334 3.304 20 30 CGEDLO CCC[N@@H+](CCCOc1cccc(C#N)c1)CC(F)F ZINC000155996071 521652831 /nfs/dbraw/zinc/65/28/31/521652831.db2.gz GACZJDXQBGQGLS-UHFFFAOYSA-N 1 2 282.334 3.304 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3c(C#N)cccc3C#N)ccc21 ZINC000436400104 534812318 /nfs/dbraw/zinc/81/23/18/534812318.db2.gz LNPJMXOWPPWTKH-UHFFFAOYSA-N 1 2 273.299 3.060 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(F)cncc1F ZINC000353132036 525436162 /nfs/dbraw/zinc/43/61/62/525436162.db2.gz CJJODVHEKNURTI-VIFPVBQESA-N 1 2 291.276 3.221 20 30 CGEDLO C=C1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000355935236 526907003 /nfs/dbraw/zinc/90/70/03/526907003.db2.gz QWXLPLQXXSUSCD-NSHDSACASA-N 1 2 252.383 3.003 20 30 CGEDLO C=CC[C@H](CO)CNc1[nH+]cccc1OCc1ccccc1 ZINC000354576590 527191817 /nfs/dbraw/zinc/19/18/17/527191817.db2.gz VUGOCEIVLSMPSP-INIZCTEOSA-N 1 2 298.386 3.257 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC1(C#N)CC1)C2 ZINC000347459288 528731163 /nfs/dbraw/zinc/73/11/63/528731163.db2.gz HCJNTOVFKOFLEZ-UHFFFAOYSA-N 1 2 270.376 3.137 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@H+](CC1(C#N)CC1)C2 ZINC000347459288 528731174 /nfs/dbraw/zinc/73/11/74/528731174.db2.gz HCJNTOVFKOFLEZ-UHFFFAOYSA-N 1 2 270.376 3.137 20 30 CGEDLO Cc1ccc([C@@H](C)C/[NH+]=C\c2c(O)c(C)ncc2CO)cc1 ZINC000737440751 572343084 /nfs/dbraw/zinc/34/30/84/572343084.db2.gz NZCYCPWEPRUDDY-GJUHEBOISA-N 1 2 298.386 3.119 20 30 CGEDLO CN1CCCc2cc(C=[NH+]Nc3ccc(F)cn3)ccc21 ZINC000731318651 572407900 /nfs/dbraw/zinc/40/79/00/572407900.db2.gz KDAVJRRFEKKIKH-UHFFFAOYSA-N 1 2 284.338 3.049 20 30 CGEDLO CC1(C)[C@H](/[NH+]=C/c2ccccc2O)[C@@H]2CCCO[C@@H]21 ZINC000741463348 572412420 /nfs/dbraw/zinc/41/24/20/572412420.db2.gz DIALJEPWRDFLRU-SLYZXBMNSA-N 1 2 259.349 3.015 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000740423290 572441434 /nfs/dbraw/zinc/44/14/34/572441434.db2.gz DXKBGXKBENOJBD-JTQLQIEISA-N 1 2 263.212 3.442 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000740423290 572441438 /nfs/dbraw/zinc/44/14/38/572441438.db2.gz DXKBGXKBENOJBD-JTQLQIEISA-N 1 2 263.212 3.442 20 30 CGEDLO CC[C@@H]1CCC[C@H](/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000740763608 572455371 /nfs/dbraw/zinc/45/53/71/572455371.db2.gz MMTGAXWWDPHWFD-GALQHCSPSA-N 1 2 263.337 3.191 20 30 CGEDLO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1csc(N)n1 ZINC000726426916 572578180 /nfs/dbraw/zinc/57/81/80/572578180.db2.gz MVEHZVACPNASSA-UHFFFAOYSA-N 1 2 298.318 3.163 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccc(OC(C)C)cc1 ZINC000726597467 572587741 /nfs/dbraw/zinc/58/77/41/572587741.db2.gz QCWQHEIVESYPIY-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccc(OC(C)C)cc1 ZINC000726597467 572587745 /nfs/dbraw/zinc/58/77/45/572587745.db2.gz QCWQHEIVESYPIY-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO COc1cccc(/C=[NH+]/CC(C2CC2)C2CC2)c1O ZINC000743044795 572635726 /nfs/dbraw/zinc/63/57/26/572635726.db2.gz RDVZUXMGTQDKDB-RQZCQDPDSA-N 1 2 259.349 3.256 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCSc2ccccc2)c1O ZINC000743340913 572648727 /nfs/dbraw/zinc/64/87/27/572648727.db2.gz OKUAJDRBBRVTCE-WJDWOHSUSA-N 1 2 273.357 3.309 20 30 CGEDLO Oc1ccc(/C=[NH+]\C[C@@H]2CCc3ccccc3C2)c(O)c1O ZINC000735228747 572706722 /nfs/dbraw/zinc/70/67/22/572706722.db2.gz GWMXGYLHOJLNLG-ZDFPAGSVSA-N 1 2 297.354 3.027 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC2(CC)CCOCC2)c1 ZINC000745976199 572845924 /nfs/dbraw/zinc/84/59/24/572845924.db2.gz HBYDYIJVHJCEEM-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\[C@H](CC)C2CCOCC2)c1 ZINC000746393873 572869603 /nfs/dbraw/zinc/86/96/03/572869603.db2.gz LTESHEGZLBEWTE-UWCCDQBKSA-N 1 2 291.391 3.415 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@@H](C)c2ccncc2)c1O ZINC000749844453 573045769 /nfs/dbraw/zinc/04/57/69/573045769.db2.gz JUNAPWIXQHRDJU-CQLSMYGBSA-N 1 2 284.359 3.409 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H](C)c2ccncc2)c1O ZINC000749844455 573046032 /nfs/dbraw/zinc/04/60/32/573046032.db2.gz JUNAPWIXQHRDJU-KZKLBEMASA-N 1 2 284.359 3.409 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC2CCC(OC)CC2)c1 ZINC000749931980 573062326 /nfs/dbraw/zinc/06/23/26/573062326.db2.gz YKGCSLDZFFERGQ-PDGQHHTCSA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000950605700 613294616 /nfs/dbraw/zinc/29/46/16/613294616.db2.gz UTLNWTAQSKCDIM-MRXNPFEDSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3c(cccc3C)o2)CC1 ZINC000957840360 613320515 /nfs/dbraw/zinc/32/05/15/613320515.db2.gz QZSNZOOQCDQXSX-UHFFFAOYSA-N 1 2 298.386 3.075 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980822159 613373073 /nfs/dbraw/zinc/37/30/73/613373073.db2.gz JRTSHRHEIBQNDR-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980822159 613373074 /nfs/dbraw/zinc/37/30/74/613373074.db2.gz JRTSHRHEIBQNDR-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922286 613377517 /nfs/dbraw/zinc/37/75/17/613377517.db2.gz UROINZQZWWFZMA-FZMZJTMJSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922286 613377518 /nfs/dbraw/zinc/37/75/18/613377518.db2.gz UROINZQZWWFZMA-FZMZJTMJSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014502 613377651 /nfs/dbraw/zinc/37/76/51/613377651.db2.gz QKUZDVGMOKICMK-NHYWBVRUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014502 613377652 /nfs/dbraw/zinc/37/76/52/613377652.db2.gz QKUZDVGMOKICMK-NHYWBVRUSA-N 1 2 296.842 3.066 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)C2 ZINC000254993244 617718726 /nfs/dbraw/zinc/71/87/26/617718726.db2.gz CVDSIXYLEQJDIR-RAXLEYEMSA-N 1 2 290.322 3.165 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)C1(C)C ZINC000177681216 618004030 /nfs/dbraw/zinc/00/40/30/618004030.db2.gz DTNFNIAWIZXBFD-UHFFFAOYSA-N 1 2 286.419 3.279 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)C1(C)C ZINC000177681216 618004037 /nfs/dbraw/zinc/00/40/37/618004037.db2.gz DTNFNIAWIZXBFD-UHFFFAOYSA-N 1 2 286.419 3.279 20 30 CGEDLO O=C1C=COC2(CC[NH+](Cc3ccsc3Cl)CC2)C1 ZINC000933645944 618278499 /nfs/dbraw/zinc/27/84/99/618278499.db2.gz ZBBMVNXPLBYJEQ-UHFFFAOYSA-N 1 2 297.807 3.239 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)c2c(n1)CCCC2 ZINC000891933334 618392113 /nfs/dbraw/zinc/39/21/13/618392113.db2.gz GLEOOWVCIBPTTB-ZDUSSCGKSA-N 1 2 257.381 3.003 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)c2c(n1)CCCC2 ZINC000891933334 618392123 /nfs/dbraw/zinc/39/21/23/618392123.db2.gz GLEOOWVCIBPTTB-ZDUSSCGKSA-N 1 2 257.381 3.003 20 30 CGEDLO C=C1CC[NH+](Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000891942081 618396947 /nfs/dbraw/zinc/39/69/47/618396947.db2.gz BOMDOORIKYUJIV-UHFFFAOYSA-N 1 2 251.761 3.093 20 30 CGEDLO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1cccc(C#N)c1O ZINC000926519475 618721582 /nfs/dbraw/zinc/72/15/82/618721582.db2.gz MLOXIAHHFRJZNT-HOCLYGCPSA-N 1 2 276.380 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(C#N)c1O ZINC000926568280 618748065 /nfs/dbraw/zinc/74/80/65/618748065.db2.gz LFQGMIFUTUCICK-CQSZACIVSA-N 1 2 271.364 3.244 20 30 CGEDLO CCCCCCCCCN(C)C(=O)NCc1c[nH+]cn1C ZINC000292065024 618764911 /nfs/dbraw/zinc/76/49/11/618764911.db2.gz SKTXPJVVHMIEME-UHFFFAOYSA-N 1 2 294.443 3.312 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000926777478 618883654 /nfs/dbraw/zinc/88/36/54/618883654.db2.gz CZHWJDRNECEBHN-IUODEOHRSA-N 1 2 290.432 3.448 20 30 CGEDLO C=CCCOCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892994132 618973088 /nfs/dbraw/zinc/97/30/88/618973088.db2.gz SVVAQYPMEHCJHW-UHFFFAOYSA-N 1 2 261.369 3.057 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894446140 619540607 /nfs/dbraw/zinc/54/06/07/619540607.db2.gz SGJOTUZDRLKRDO-GIZXNFQBSA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C/c2cccc(F)c2)C1 ZINC000894446140 619540609 /nfs/dbraw/zinc/54/06/09/619540609.db2.gz SGJOTUZDRLKRDO-GIZXNFQBSA-N 1 2 258.340 3.465 20 30 CGEDLO CC(C)Cc1ccc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000894609913 619585696 /nfs/dbraw/zinc/58/56/96/619585696.db2.gz HBWYHAQUXZUBGS-UHFFFAOYSA-N 1 2 259.397 3.262 20 30 CGEDLO CC(C)Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000894609913 619585700 /nfs/dbraw/zinc/58/57/00/619585700.db2.gz HBWYHAQUXZUBGS-UHFFFAOYSA-N 1 2 259.397 3.262 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC000895214286 619782750 /nfs/dbraw/zinc/78/27/50/619782750.db2.gz BGXHCQRWUFHHQE-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC000895214286 619782752 /nfs/dbraw/zinc/78/27/52/619782752.db2.gz BGXHCQRWUFHHQE-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(C#N)c1O ZINC000925129469 619867999 /nfs/dbraw/zinc/86/79/99/619867999.db2.gz ITNLSHXAIOLJKH-OAHLLOKOSA-N 1 2 290.407 3.103 20 30 CGEDLO CCSCc1ccc[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000895688000 619870508 /nfs/dbraw/zinc/87/05/08/619870508.db2.gz HNBVXEXPPLBFTM-WCQYABFASA-N 1 2 261.394 3.439 20 30 CGEDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896506300 620018956 /nfs/dbraw/zinc/01/89/56/620018956.db2.gz ROQWTPONERABGK-LLCTXKFZSA-N 1 2 269.392 3.001 20 30 CGEDLO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896506300 620018959 /nfs/dbraw/zinc/01/89/59/620018959.db2.gz ROQWTPONERABGK-LLCTXKFZSA-N 1 2 269.392 3.001 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2CCOC3(CCC3)C2)c1 ZINC000840708505 620095307 /nfs/dbraw/zinc/09/53/07/620095307.db2.gz XPGOFGGZWPJHRL-CYUIRQCWSA-N 1 2 289.375 3.169 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000840709530 620103287 /nfs/dbraw/zinc/10/32/87/620103287.db2.gz NMOORJNGUCIYMF-PQZIMZDASA-N 1 2 291.391 3.271 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCOC(C)(C)C2)c1 ZINC000840709561 620103314 /nfs/dbraw/zinc/10/33/14/620103314.db2.gz JYFARVHFQAKVSP-ZSAINHDTSA-N 1 2 277.364 3.025 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCOC(C)(C)C2)c1O ZINC000840711706 620140021 /nfs/dbraw/zinc/14/00/21/620140021.db2.gz YRGDAHXPCOKVPF-FDIDITGRSA-N 1 2 291.391 3.415 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000898218454 620489635 /nfs/dbraw/zinc/48/96/35/620489635.db2.gz HKXLBOZJSBYSQJ-SNVBAGLBSA-N 1 2 252.745 3.075 20 30 CGEDLO C=C[C@H](CC(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1 ZINC000898904406 620608151 /nfs/dbraw/zinc/60/81/51/620608151.db2.gz FMCKHYGXQWJKIC-OAHLLOKOSA-N 1 2 297.402 3.094 20 30 CGEDLO Oc1cccc(/C=[NH+]\CC[C@H]2CCC3(CCC3)O2)c1O ZINC000899228047 620627575 /nfs/dbraw/zinc/62/75/75/620627575.db2.gz XKBNTXBGUJJSPD-GPLLRDDGSA-N 1 2 275.348 3.009 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)CO2 ZINC000901455180 620893530 /nfs/dbraw/zinc/89/35/30/620893530.db2.gz ZQUXOVNXUUONBI-WUXMJOGZSA-N 1 2 298.342 3.131 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1csc(C(C)C)n1 ZINC000901492066 620899344 /nfs/dbraw/zinc/89/93/44/620899344.db2.gz XVFNOHGGVWCFRB-AATRIKPKSA-N 1 2 275.377 3.379 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccc(OC)cc2C1(C)C ZINC000901500126 620903544 /nfs/dbraw/zinc/90/35/44/620903544.db2.gz HMIORDDMQFATPC-LZYBPNLTSA-N 1 2 296.370 3.469 20 30 CGEDLO Cc1c(C[N@@H+](CCC#N)C(C)C)cccc1[N+](=O)[O-] ZINC000042530693 621117530 /nfs/dbraw/zinc/11/75/30/621117530.db2.gz OJLGCFBNVJJFML-UHFFFAOYSA-N 1 2 261.325 3.027 20 30 CGEDLO Cc1c(C[N@H+](CCC#N)C(C)C)cccc1[N+](=O)[O-] ZINC000042530693 621117532 /nfs/dbraw/zinc/11/75/32/621117532.db2.gz OJLGCFBNVJJFML-UHFFFAOYSA-N 1 2 261.325 3.027 20 30 CGEDLO C=C(Br)C[NH2+]Cc1cccc(Cl)c1O ZINC000162612758 621466662 /nfs/dbraw/zinc/46/66/62/621466662.db2.gz XFKQYNCMNGBTIP-UHFFFAOYSA-N 1 2 276.561 3.044 20 30 CGEDLO C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cc(C#N)ccn1 ZINC000902878694 621481576 /nfs/dbraw/zinc/48/15/76/621481576.db2.gz JSYPHSYZDVITDV-BMIGLBTASA-N 1 2 299.761 3.391 20 30 CGEDLO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000903030802 621534958 /nfs/dbraw/zinc/53/49/58/621534958.db2.gz HBPOWPWUTFPVBH-LLVKDONJSA-N 1 2 262.328 3.179 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1c(O)cccc1F ZINC000903109540 621582618 /nfs/dbraw/zinc/58/26/18/621582618.db2.gz QWPVLGVCZJSBPX-LLVKDONJSA-N 1 2 262.328 3.266 20 30 CGEDLO CC[C@@H]([NH2+]CCc1cccnc1C)c1cccc(C#N)c1O ZINC000903418680 621737246 /nfs/dbraw/zinc/73/72/46/621737246.db2.gz NLJTXVDQEXCVCD-QGZVFWFLSA-N 1 2 295.386 3.251 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907230238 622288218 /nfs/dbraw/zinc/28/82/18/622288218.db2.gz DVECAYUJLZFPMV-GFCCVEGCSA-N 1 2 260.381 3.481 20 30 CGEDLO N#Cc1ccccc1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000029465256 622736643 /nfs/dbraw/zinc/73/66/43/622736643.db2.gz VDXVWERRQSZXBW-UHFFFAOYSA-N 1 2 285.734 3.049 20 30 CGEDLO CCc1cnc(CC/[NH+]=C/c2cc(OC)ccc2O)s1 ZINC000173990326 623353278 /nfs/dbraw/zinc/35/32/78/623353278.db2.gz CRRYCESTPHCLAG-CXUHLZMHSA-N 1 2 290.388 3.081 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000929660756 623499235 /nfs/dbraw/zinc/49/92/35/623499235.db2.gz WRKAPDICEYPCSO-OAHLLOKOSA-N 1 2 297.402 3.150 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208969 623917910 /nfs/dbraw/zinc/91/79/10/623917910.db2.gz JLJKDTPZSANLCR-GFCCVEGCSA-N 1 2 294.468 3.411 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208969 623917916 /nfs/dbraw/zinc/91/79/16/623917916.db2.gz JLJKDTPZSANLCR-GFCCVEGCSA-N 1 2 294.468 3.411 20 30 CGEDLO Oc1ccc(/C=[NH+]/CCCC2CCCC2)c(O)c1O ZINC000918154475 624338583 /nfs/dbraw/zinc/33/85/83/624338583.db2.gz OPKKVNIWIGCTNV-MHWRWJLKSA-N 1 2 263.337 3.193 20 30 CGEDLO COCCC1(C/[NH+]=C/c2cccc(OC)c2O)CCCC1 ZINC000155032760 624414648 /nfs/dbraw/zinc/41/46/48/624414648.db2.gz FCLKWDLKDYEPEK-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000175302271 624628266 /nfs/dbraw/zinc/62/82/66/624628266.db2.gz TZMTTZQWXFKXPX-ZDUSSCGKSA-N 1 2 283.213 3.461 20 30 CGEDLO C=C(Br)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175302271 624628263 /nfs/dbraw/zinc/62/82/63/624628263.db2.gz TZMTTZQWXFKXPX-ZDUSSCGKSA-N 1 2 283.213 3.461 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)C(C)(C)C#N)cc2)[nH+]c1C ZINC000921664976 625813382 /nfs/dbraw/zinc/81/33/82/625813382.db2.gz IFLNWRDJYXVFPJ-UHFFFAOYSA-N 1 2 282.347 3.182 20 30 CGEDLO CC(C)(CC#N)C[NH2+]Cc1cccc(Br)c1O ZINC000839162816 626330239 /nfs/dbraw/zinc/33/02/39/626330239.db2.gz CELPPIPJOMGSKT-UHFFFAOYSA-N 1 2 297.196 3.184 20 30 CGEDLO Cc1cc(F)ccc1NN=Cc1cccc2[nH+]ccn21 ZINC000750946568 626371156 /nfs/dbraw/zinc/37/11/56/626371156.db2.gz UKUCMLDBYSGDRC-UHFFFAOYSA-N 1 2 268.295 3.228 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000756900239 626740520 /nfs/dbraw/zinc/74/05/20/626740520.db2.gz LFUSYRWMUPXBSK-UHFFFAOYSA-N 1 2 291.694 3.003 20 30 CGEDLO Clc1csc(C=NNc2cc[nH+]c3ccccc23)n1 ZINC000758119082 626827874 /nfs/dbraw/zinc/82/78/74/626827874.db2.gz ALHBDONIXAAYRD-UHFFFAOYSA-N 1 2 288.763 3.213 20 30 CGEDLO CC(=NNc1[nH+]ccn1C)c1cccc(C(F)(F)F)c1 ZINC000790299686 626964213 /nfs/dbraw/zinc/96/42/13/626964213.db2.gz IRPCOVMKQTUUJY-UHFFFAOYSA-N 1 2 282.269 3.275 20 30 CGEDLO C#CCCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000767289483 627396576 /nfs/dbraw/zinc/39/65/76/627396576.db2.gz AXQRRCFYNCAVML-UHFFFAOYSA-N 1 2 291.354 3.162 20 30 CGEDLO C#CCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000767929972 627444941 /nfs/dbraw/zinc/44/49/41/627444941.db2.gz CXGXYGZEYQUGFZ-UHFFFAOYSA-N 1 2 283.202 3.139 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1N1CCCCC1 ZINC000768244251 627471106 /nfs/dbraw/zinc/47/11/06/627471106.db2.gz HQKUJIOAQFRNIA-UHFFFAOYSA-N 1 2 271.408 3.412 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1N1CCCCC1 ZINC000768244251 627471107 /nfs/dbraw/zinc/47/11/07/627471107.db2.gz HQKUJIOAQFRNIA-UHFFFAOYSA-N 1 2 271.408 3.412 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC000769335925 627543778 /nfs/dbraw/zinc/54/37/78/627543778.db2.gz VSPNZGWORCZLRN-UHFFFAOYSA-N 1 2 284.403 3.460 20 30 CGEDLO C#CCOc1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC000769335925 627543779 /nfs/dbraw/zinc/54/37/79/627543779.db2.gz VSPNZGWORCZLRN-UHFFFAOYSA-N 1 2 284.403 3.460 20 30 CGEDLO Cc1cccc(F)c1N[NH+]=Cc1cnccc1N(C)C ZINC000769828305 627582076 /nfs/dbraw/zinc/58/20/76/627582076.db2.gz QMPIQVYHSDHYRW-UHFFFAOYSA-N 1 2 272.327 3.041 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000769977279 627594365 /nfs/dbraw/zinc/59/43/65/627594365.db2.gz DGFRKLLSPNSLIO-UONOGXRCSA-N 1 2 272.392 3.092 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000769977279 627594367 /nfs/dbraw/zinc/59/43/67/627594367.db2.gz DGFRKLLSPNSLIO-UONOGXRCSA-N 1 2 272.392 3.092 20 30 CGEDLO C=CCC(CC=C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922479 627657180 /nfs/dbraw/zinc/65/71/80/627657180.db2.gz PBIYMNKQDPHBKA-UHFFFAOYSA-N 1 2 270.332 3.146 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000775342359 628084762 /nfs/dbraw/zinc/08/47/62/628084762.db2.gz QOUQFVUDYOWOTR-HUUCEWRRSA-N 1 2 298.411 3.081 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000775399490 628090613 /nfs/dbraw/zinc/09/06/13/628090613.db2.gz HVUVLQUASKOPFO-CQSZACIVSA-N 1 2 293.326 3.184 20 30 CGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC=CCC1 ZINC000778974967 628381090 /nfs/dbraw/zinc/38/10/90/628381090.db2.gz ULXAPLMZDVWWFX-AQTBWJFISA-N 1 2 296.414 3.129 20 30 CGEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC=CCC1 ZINC000778974967 628381093 /nfs/dbraw/zinc/38/10/93/628381093.db2.gz ULXAPLMZDVWWFX-AQTBWJFISA-N 1 2 296.414 3.129 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cscn1 ZINC000783713361 628742523 /nfs/dbraw/zinc/74/25/23/628742523.db2.gz POUJTWMIBOQMJG-UPHRSURJSA-N 1 2 287.369 3.286 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784008726 628764558 /nfs/dbraw/zinc/76/45/58/628764558.db2.gz HTESSTNUWCNPQP-AWEZNQCLSA-N 1 2 292.452 3.154 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@H]2CC=CCC2)c1=S ZINC000784008726 628764560 /nfs/dbraw/zinc/76/45/60/628764560.db2.gz HTESSTNUWCNPQP-AWEZNQCLSA-N 1 2 292.452 3.154 20 30 CGEDLO Cc1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000784387290 628811705 /nfs/dbraw/zinc/81/17/05/628811705.db2.gz BOYVPKNQICFDEL-UHFFFAOYSA-N 1 2 291.398 3.189 20 30 CGEDLO CCCCCCCCC[S@](=O)Cc1c[nH+]cn1C ZINC000790139213 629186242 /nfs/dbraw/zinc/18/62/42/629186242.db2.gz JSFYDIXHYNTPIV-SFHVURJKSA-N 1 2 270.442 3.419 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1c(C)cc(N)cc1C ZINC000790193906 629193067 /nfs/dbraw/zinc/19/30/67/629193067.db2.gz RXHCWZATSLDTCQ-UHFFFAOYSA-N 1 2 254.337 3.035 20 30 CGEDLO C#CCCOc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000793255946 629437172 /nfs/dbraw/zinc/43/71/72/629437172.db2.gz WPSFGZQCTDXYQX-UHFFFAOYSA-N 1 2 267.319 3.222 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC[C@H]2CCCOC2)c1O ZINC000864345464 629814874 /nfs/dbraw/zinc/81/48/74/629814874.db2.gz XVGFLMILZKBWBI-GPLLRDDGSA-N 1 2 277.364 3.027 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCC23CCOCC3)c1O ZINC000864348583 629817692 /nfs/dbraw/zinc/81/76/92/629817692.db2.gz NAOAVJBMMCWIPX-BGARDKSCSA-N 1 2 289.375 3.027 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000797998252 630013344 /nfs/dbraw/zinc/01/33/44/630013344.db2.gz DGEQVSHNJRCLEN-MMPTUQATSA-N 1 2 297.345 3.302 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CCO1 ZINC000799724701 630225673 /nfs/dbraw/zinc/22/56/73/630225673.db2.gz QMCFJLCQYKWRJV-IJEWVQPXSA-N 1 2 285.391 3.016 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809640773 630772285 /nfs/dbraw/zinc/77/22/85/630772285.db2.gz MGZXXHHBHNGLKK-SNVBAGLBSA-N 1 2 297.189 3.423 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)c1cc(C)on1)c1ccncc1 ZINC000810219304 630855568 /nfs/dbraw/zinc/85/55/68/630855568.db2.gz QLOGZKWLFDKPIQ-TZMCWYRMSA-N 1 2 257.337 3.346 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(C)oc1C)c1ccc(F)cc1 ZINC000812794136 631312347 /nfs/dbraw/zinc/31/23/47/631312347.db2.gz SGFBXEVPZRYNAJ-INIZCTEOSA-N 1 2 257.308 3.500 20 30 CGEDLO CC(Cc1ccc(F)cc1)=[NH+]n1cc(Br)cn1 ZINC000814884808 631664686 /nfs/dbraw/zinc/66/46/86/631664686.db2.gz ZROQMFJYHQENBD-UHFFFAOYSA-N 1 2 296.143 3.251 20 30 CGEDLO COc1ccc(N[NH+]=C2CC[C@H]3CNc4cccc2c43)nc1 ZINC000814910280 631677577 /nfs/dbraw/zinc/67/75/77/631677577.db2.gz YQTFOEWDUSSBBP-NSHDSACASA-N 1 2 294.358 3.209 20 30 CGEDLO Nc1ccc2c(c1)C(=[NH+]OCCC(F)(F)F)CCC2 ZINC000814910501 631677633 /nfs/dbraw/zinc/67/76/33/631677633.db2.gz VYLMMDVGQXTRCG-UHFFFAOYSA-N 1 2 272.270 3.278 20 30 CGEDLO CC(C)n1c[nH+]cc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000819808767 632519725 /nfs/dbraw/zinc/51/97/25/632519725.db2.gz SZTZRNRUYVGTSC-UHFFFAOYSA-N 1 2 297.284 3.324 20 30 CGEDLO Nc1ccc(/C=C\C(=O)c2cc3ccccc3o2)c[nH+]1 ZINC000821028790 632714145 /nfs/dbraw/zinc/71/41/45/632714145.db2.gz VXTZIWZUIZKNCN-ALCCZGGFSA-N 1 2 264.284 3.306 20 30 CGEDLO COCc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866224237 633034599 /nfs/dbraw/zinc/03/45/99/633034599.db2.gz XZCXVNPQEBDTLC-ZDUSSCGKSA-N 1 2 296.370 3.261 20 30 CGEDLO C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866249536 633044961 /nfs/dbraw/zinc/04/49/61/633044961.db2.gz LCCIWPZRMSALEG-KBPBESRZSA-N 1 2 296.370 3.382 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(C#N)c1O ZINC000866259203 633048038 /nfs/dbraw/zinc/04/80/38/633048038.db2.gz JOKSLKXHSQSATF-IUODEOHRSA-N 1 2 278.355 3.254 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C#N)c1O ZINC000866259920 633048747 /nfs/dbraw/zinc/04/87/47/633048747.db2.gz IEJPUZOQBUEVGD-ZBEGNZNMSA-N 1 2 294.354 3.308 20 30 CGEDLO Cc1cc(N[C@@H]2Cc3ccc(C#N)cc3C2)nc(C2CC2)[nH+]1 ZINC000866260471 633049162 /nfs/dbraw/zinc/04/91/62/633049162.db2.gz KZBDTDXMVVWGIM-MRXNPFEDSA-N 1 2 290.370 3.113 20 30 CGEDLO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866274795 633059152 /nfs/dbraw/zinc/05/91/52/633059152.db2.gz TZHPLDMOMAQSNI-WCFLWFBJSA-N 1 2 276.405 3.199 20 30 CGEDLO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866280700 633064011 /nfs/dbraw/zinc/06/40/11/633064011.db2.gz YGKFHGHCNRZZJA-NSHDSACASA-N 1 2 299.374 3.152 20 30 CGEDLO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866336944 633085331 /nfs/dbraw/zinc/08/53/31/633085331.db2.gz TWXWSGUMKCQJMH-RDBSUJKOSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@H]1CCCCO1 ZINC000866387463 633116328 /nfs/dbraw/zinc/11/63/28/633116328.db2.gz RIJRTHBLRCTJSH-UHOFOFEASA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000866389664 633116648 /nfs/dbraw/zinc/11/66/48/633116648.db2.gz HUVOXECMHWKXEY-YGRLFVJLSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc(C#N)c1O ZINC000866402897 633124437 /nfs/dbraw/zinc/12/44/37/633124437.db2.gz MVGDZVMBQATCRJ-NEPJUHHUSA-N 1 2 276.405 3.058 20 30 CGEDLO C=CCOc1ccc(C[NH2+]Cc2coc(CC)n2)cc1 ZINC000825049824 633321850 /nfs/dbraw/zinc/32/18/50/633321850.db2.gz CVVPFZPMSNUDMB-UHFFFAOYSA-N 1 2 272.348 3.092 20 30 CGEDLO C=CC[N@H+](Cc1cccnc1Br)C(C)C ZINC000876599424 634865462 /nfs/dbraw/zinc/86/54/62/634865462.db2.gz ADUNEYDRLVAEKS-UHFFFAOYSA-N 1 2 269.186 3.241 20 30 CGEDLO C=CC[N@@H+](Cc1cccnc1Br)C(C)C ZINC000876599424 634865463 /nfs/dbraw/zinc/86/54/63/634865463.db2.gz ADUNEYDRLVAEKS-UHFFFAOYSA-N 1 2 269.186 3.241 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1OC ZINC000828145131 633572329 /nfs/dbraw/zinc/57/23/29/633572329.db2.gz ZHYKJJRWJWOFMR-INIZCTEOSA-N 1 2 281.359 3.203 20 30 CGEDLO CC(C)c1nsc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000930201446 633604980 /nfs/dbraw/zinc/60/49/80/633604980.db2.gz DUDHQFGXKVNUEQ-LLVKDONJSA-N 1 2 286.404 3.384 20 30 CGEDLO O=C1OCC[C@H]1CCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000871596941 633799430 /nfs/dbraw/zinc/79/94/30/633799430.db2.gz HSHSKAWPHDSLMH-ONDHQXCVSA-N 1 2 297.354 3.308 20 30 CGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC(C)(C)C ZINC000829938066 633811649 /nfs/dbraw/zinc/81/16/49/633811649.db2.gz RPCDVEKKAIXNBX-OAHLLOKOSA-N 1 2 288.391 3.140 20 30 CGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(C)(C)C ZINC000829938066 633811651 /nfs/dbraw/zinc/81/16/51/633811651.db2.gz RPCDVEKKAIXNBX-OAHLLOKOSA-N 1 2 288.391 3.140 20 30 CGEDLO C#CC1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000830345437 633852983 /nfs/dbraw/zinc/85/29/83/633852983.db2.gz CXKOXBFTLQEBFD-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876618088 634868920 /nfs/dbraw/zinc/86/89/20/634868920.db2.gz ZBRKHVVVKWUKNZ-ZDUSSCGKSA-N 1 2 260.381 3.455 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876618088 634868922 /nfs/dbraw/zinc/86/89/22/634868922.db2.gz ZBRKHVVVKWUKNZ-ZDUSSCGKSA-N 1 2 260.381 3.455 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC(C)(C)C(C)(C)O)c1O ZINC000840709795 635039093 /nfs/dbraw/zinc/03/90/93/635039093.db2.gz MLSMHADYJRLAIZ-LICLKQGHSA-N 1 2 279.380 3.007 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](CC(=C)Cl)C(=O)OCC ZINC000877672203 635141441 /nfs/dbraw/zinc/14/14/41/635141441.db2.gz YONJDEWLWNPEJL-RYUDHWBXSA-N 1 2 259.777 3.005 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1ncccc1Br ZINC000877934538 635277600 /nfs/dbraw/zinc/27/76/00/635277600.db2.gz CDUKYCZPEKUARC-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1ncccc1Br ZINC000877934538 635277608 /nfs/dbraw/zinc/27/76/08/635277608.db2.gz CDUKYCZPEKUARC-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccoc1)c1ccccc1 ZINC000877988904 635308646 /nfs/dbraw/zinc/30/86/46/635308646.db2.gz PXSUHSXFXKRVML-GOSISDBHSA-N 1 2 296.370 3.152 20 30 CGEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000877988904 635308654 /nfs/dbraw/zinc/30/86/54/635308654.db2.gz PXSUHSXFXKRVML-GOSISDBHSA-N 1 2 296.370 3.152 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)CCC(C)(C)C)c1=S ZINC000842632264 635422721 /nfs/dbraw/zinc/42/27/21/635422721.db2.gz WTORVRVABUZNLM-UHFFFAOYSA-N 1 2 282.457 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)CCC(C)(C)C)c1=S ZINC000842632264 635422728 /nfs/dbraw/zinc/42/27/28/635422728.db2.gz WTORVRVABUZNLM-UHFFFAOYSA-N 1 2 282.457 3.234 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2n(n1)CCCC2 ZINC000842850752 635497995 /nfs/dbraw/zinc/49/79/95/635497995.db2.gz DQACRSLFPYQCIR-LBPRGKRZSA-N 1 2 298.365 3.081 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878699111 635608431 /nfs/dbraw/zinc/60/84/31/635608431.db2.gz MXIPAPCMFKKSSU-VXGBXAGGSA-N 1 2 293.798 3.257 20 30 CGEDLO COc1cc(C)cc(C[N@@H+]2Cc3cccc(C#N)c3C2)c1O ZINC000844761673 635959201 /nfs/dbraw/zinc/95/92/01/635959201.db2.gz NLAXOATVXPITAM-UHFFFAOYSA-N 1 2 294.354 3.097 20 30 CGEDLO COc1cc(C)cc(C[N@H+]2Cc3cccc(C#N)c3C2)c1O ZINC000844761673 635959205 /nfs/dbraw/zinc/95/92/05/635959205.db2.gz NLAXOATVXPITAM-UHFFFAOYSA-N 1 2 294.354 3.097 20 30 CGEDLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000846213577 636160393 /nfs/dbraw/zinc/16/03/93/636160393.db2.gz UBPAGYJWCCGAGD-NSHDSACASA-N 1 2 285.322 3.412 20 30 CGEDLO CC(C)[C@@H](C/[NH+]=C\c1ccccc1O)C(=O)OC(C)(C)C ZINC000846756238 636230304 /nfs/dbraw/zinc/23/03/04/636230304.db2.gz IQJLFYMLQJIJMW-FNHQQPGVSA-N 1 2 291.391 3.425 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000130304111 636439396 /nfs/dbraw/zinc/43/93/96/636439396.db2.gz DYQGFPKDTAQWSG-GFCCVEGCSA-N 1 2 269.186 3.373 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000130304111 636439405 /nfs/dbraw/zinc/43/94/05/636439405.db2.gz DYQGFPKDTAQWSG-GFCCVEGCSA-N 1 2 269.186 3.373 20 30 CGEDLO C#CCCC[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000847863604 636475214 /nfs/dbraw/zinc/47/52/14/636475214.db2.gz ANJCRHWMABDLSG-AWEZNQCLSA-N 1 2 282.343 3.221 20 30 CGEDLO C=CCC[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000130591264 636479759 /nfs/dbraw/zinc/47/97/59/636479759.db2.gz YLGAAMZANHKXNB-AWEZNQCLSA-N 1 2 260.381 3.290 20 30 CGEDLO C=C(C)[C@H]1CCC(C)=C(N=NCCCn2cc[nH+]c2)C1 ZINC000848419087 636572334 /nfs/dbraw/zinc/57/23/34/636572334.db2.gz QXZHVNQZOVWNLA-HNNXBMFYSA-N 1 2 272.396 3.151 20 30 CGEDLO CCC(C[C@@H](C)CC)=NNCCCn1cc[nH+]c1 ZINC000848418505 636572422 /nfs/dbraw/zinc/57/24/22/636572422.db2.gz ONXUDWVTVLASIM-ZDUSSCGKSA-N 1 2 250.390 3.065 20 30 CGEDLO C#CC[N@@H+](Cc1cc(OC)ns1)[C@H]1CCc2ccccc21 ZINC000851734925 637483658 /nfs/dbraw/zinc/48/36/58/637483658.db2.gz AWWJTPYPHQUXNL-INIZCTEOSA-N 1 2 298.411 3.274 20 30 CGEDLO C#CC[N@H+](Cc1cc(OC)ns1)[C@H]1CCc2ccccc21 ZINC000851734925 637483659 /nfs/dbraw/zinc/48/36/59/637483659.db2.gz AWWJTPYPHQUXNL-INIZCTEOSA-N 1 2 298.411 3.274 20 30 CGEDLO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000886719841 637671340 /nfs/dbraw/zinc/67/13/40/637671340.db2.gz JHGVKYOQMUNWOC-OCCSQVGLSA-N 1 2 288.391 3.120 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3cc(C#N)cnn3)cc2)CC1 ZINC000853094227 637756263 /nfs/dbraw/zinc/75/62/63/637756263.db2.gz UEVLISDYKQZREQ-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887151009 637763449 /nfs/dbraw/zinc/76/34/49/637763449.db2.gz GVWAUDVWODJEEK-HNNXBMFYSA-N 1 2 295.386 3.247 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887151009 637763456 /nfs/dbraw/zinc/76/34/56/637763456.db2.gz GVWAUDVWODJEEK-HNNXBMFYSA-N 1 2 295.386 3.247 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887151010 637763564 /nfs/dbraw/zinc/76/35/64/637763564.db2.gz GVWAUDVWODJEEK-OAHLLOKOSA-N 1 2 295.386 3.247 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887151010 637763572 /nfs/dbraw/zinc/76/35/72/637763572.db2.gz GVWAUDVWODJEEK-OAHLLOKOSA-N 1 2 295.386 3.247 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H]2CC(C)(C)CO2)c1 ZINC000887269926 637786455 /nfs/dbraw/zinc/78/64/55/637786455.db2.gz DIZJBLQFBKTQJH-XGHPXPSOSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCSCC=C ZINC000853236906 637790344 /nfs/dbraw/zinc/79/03/44/637790344.db2.gz KIEJTHOKCHOVST-UHFFFAOYSA-N 1 2 276.405 3.205 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)CCCO ZINC000853468031 637850186 /nfs/dbraw/zinc/85/01/86/637850186.db2.gz NJUUFTQIICZBHI-UHFFFAOYSA-N 1 2 290.407 3.084 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C(C)C)n(C)c1=S ZINC000853598174 637871855 /nfs/dbraw/zinc/87/18/55/637871855.db2.gz NEOJGCPGSIJNIO-BETUJISGSA-N 1 2 292.452 3.215 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C(C)C)n(C)c1=S ZINC000853598174 637871860 /nfs/dbraw/zinc/87/18/60/637871860.db2.gz NEOJGCPGSIJNIO-BETUJISGSA-N 1 2 292.452 3.215 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](CCC)OC ZINC000853651749 637882903 /nfs/dbraw/zinc/88/29/03/637882903.db2.gz NVMUXPPHKCCSAS-CQSZACIVSA-N 1 2 276.380 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC(C)(C)F ZINC000853841075 637939383 /nfs/dbraw/zinc/93/93/83/637939383.db2.gz CVDXODMJRCITEU-UHFFFAOYSA-N 1 2 264.344 3.424 20 30 CGEDLO CCCCOCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000924854954 638415372 /nfs/dbraw/zinc/41/53/72/638415372.db2.gz VQPCJONQLRMBIA-OAHLLOKOSA-N 1 2 276.380 3.121 20 30 CGEDLO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925043907 638441192 /nfs/dbraw/zinc/44/11/92/638441192.db2.gz DYZFBKSAFJJJOP-YLQAJVPDSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@@H]([NH2+]CCC(F)(F)F)c1cccc(C#N)c1O ZINC000925238487 638482908 /nfs/dbraw/zinc/48/29/08/638482908.db2.gz XHAQPSNLMWFDQM-LLVKDONJSA-N 1 2 272.270 3.257 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc(C#N)c1O ZINC000926547761 638783719 /nfs/dbraw/zinc/78/37/19/638783719.db2.gz PGWPQCCIITXIEF-AWEZNQCLSA-N 1 2 290.407 3.102 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cc(C#N)ccn1 ZINC000926919594 638825847 /nfs/dbraw/zinc/82/58/47/638825847.db2.gz PHINOXBQVGKKEK-LLVKDONJSA-N 1 2 298.415 3.139 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000930533096 639019823 /nfs/dbraw/zinc/01/98/23/639019823.db2.gz FTPLMMAAGKGAPL-KBPBESRZSA-N 1 2 277.412 3.016 20 30 CGEDLO C#CC[C@H](COC)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000858860761 639031570 /nfs/dbraw/zinc/03/15/70/639031570.db2.gz OEIHUZPSGVTXKP-SNVBAGLBSA-N 1 2 292.741 3.478 20 30 CGEDLO COc1cccc(SCC[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932151075 639277023 /nfs/dbraw/zinc/27/70/23/639277023.db2.gz HCDINBZUOZHVET-CYBMUJFWSA-N 1 2 276.405 3.023 20 30 CGEDLO COc1cccc(SCC[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932151075 639277028 /nfs/dbraw/zinc/27/70/28/639277028.db2.gz HCDINBZUOZHVET-CYBMUJFWSA-N 1 2 276.405 3.023 20 30 CGEDLO C=CC[C@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000860899449 639458350 /nfs/dbraw/zinc/45/83/50/639458350.db2.gz YBDGTXDGPMKVOI-VIFPVBQESA-N 1 2 294.301 3.131 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631119 639472505 /nfs/dbraw/zinc/47/25/05/639472505.db2.gz VQFDFIYQQCOGCU-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631119 639472507 /nfs/dbraw/zinc/47/25/07/639472507.db2.gz VQFDFIYQQCOGCU-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@](O)(CC/[NH+]=C/c1ccccc1O)c1ccccc1 ZINC000189355299 640188499 /nfs/dbraw/zinc/18/84/99/640188499.db2.gz YFKBHOMLZIFBET-CLEQQJOVSA-N 1 2 269.344 3.109 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007908463 640945096 /nfs/dbraw/zinc/94/50/96/640945096.db2.gz PTVQENUFPRPTJS-BFHYXJOUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007908463 640945098 /nfs/dbraw/zinc/94/50/98/640945098.db2.gz PTVQENUFPRPTJS-BFHYXJOUSA-N 1 2 298.858 3.002 20 30 CGEDLO CCOc1nccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001250383408 805595778 /nfs/dbraw/zinc/59/57/78/805595778.db2.gz XDGZHMOLEZHBQU-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1nccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001250383408 805595771 /nfs/dbraw/zinc/59/57/71/805595771.db2.gz XDGZHMOLEZHBQU-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO Cc1nc(C#N)cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001155961347 805629883 /nfs/dbraw/zinc/62/98/83/805629883.db2.gz DJRFPHGCYVQPPE-UHFFFAOYSA-N 1 2 295.390 3.262 20 30 CGEDLO COc1cc2[nH+]c(Cc3ccc(C#N)cc3)[nH]c2cc1F ZINC001250587591 805709838 /nfs/dbraw/zinc/70/98/38/805709838.db2.gz HCOAGFFROGKEKL-UHFFFAOYSA-N 1 2 281.290 3.173 20 30 CGEDLO COC(OC)c1cc(C)c[nH+]c1N[C@H]1CC[C@H](C#N)CC1 ZINC001157055862 805772358 /nfs/dbraw/zinc/77/23/58/805772358.db2.gz YEXIYMQLLZABOH-JOCQHMNTSA-N 1 2 289.379 3.176 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@H+](CC(=O)OCC)C1CC1 ZINC001252134921 806021001 /nfs/dbraw/zinc/02/10/01/806021001.db2.gz ZOAQYRRWHJPQCU-MRXNPFEDSA-N 1 2 299.455 3.125 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@@H+](CC(=O)OCC)C1CC1 ZINC001252134921 806021010 /nfs/dbraw/zinc/02/10/10/806021010.db2.gz ZOAQYRRWHJPQCU-MRXNPFEDSA-N 1 2 299.455 3.125 20 30 CGEDLO C=CCC[C@H](O)CNc1cc(C)c2ccccc2[nH+]1 ZINC001252589735 806077807 /nfs/dbraw/zinc/07/78/07/806077807.db2.gz YGQSFBLWVYHFJP-ZDUSSCGKSA-N 1 2 256.349 3.282 20 30 CGEDLO C=CCC[C@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252603508 806082144 /nfs/dbraw/zinc/08/21/44/806082144.db2.gz YFVVTZMFHHTEKQ-INIZCTEOSA-N 1 2 292.810 3.383 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252603508 806082153 /nfs/dbraw/zinc/08/21/53/806082153.db2.gz YFVVTZMFHHTEKQ-INIZCTEOSA-N 1 2 292.810 3.383 20 30 CGEDLO COC(OC)c1cc(C)c[nH+]c1NCC#Cc1ccccc1 ZINC001159376035 806090834 /nfs/dbraw/zinc/09/08/34/806090834.db2.gz SROWODWHXWQJPZ-UHFFFAOYSA-N 1 2 296.370 3.145 20 30 CGEDLO CC[C@H](CC#N)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001255172639 806564795 /nfs/dbraw/zinc/56/47/95/806564795.db2.gz QYTKAOBFESUBNC-MRXNPFEDSA-N 1 2 291.826 3.150 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C(=O)OCC ZINC001255852768 806768593 /nfs/dbraw/zinc/76/85/93/806768593.db2.gz CTXMBIIIIVYFRW-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO Cc1cncc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)c1 ZINC000588476610 799699441 /nfs/dbraw/zinc/69/94/41/799699441.db2.gz XXRADVCEDXSGSE-WAYWQWQTSA-N 1 2 277.327 3.242 20 30 CGEDLO C=CC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715718453 800144405 /nfs/dbraw/zinc/14/44/05/800144405.db2.gz NJORXDYLXOMIFQ-QMMMGPOBSA-N 1 2 288.160 3.348 20 30 CGEDLO CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001256363111 806867424 /nfs/dbraw/zinc/86/74/24/806867424.db2.gz GPIYGPZAZUFGOC-YPMHNXCESA-N 1 2 253.411 3.085 20 30 CGEDLO CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001256363111 806867431 /nfs/dbraw/zinc/86/74/31/806867431.db2.gz GPIYGPZAZUFGOC-YPMHNXCESA-N 1 2 253.411 3.085 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(CCCC)CC2)C1 ZINC001031356356 800908608 /nfs/dbraw/zinc/90/86/08/800908608.db2.gz UYQQOGVYBNLPFJ-UHFFFAOYSA-N 1 2 292.467 3.360 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339585 800960307 /nfs/dbraw/zinc/96/03/07/800960307.db2.gz XPFNYPZKCCRONQ-KGLIPLIRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339585 800960310 /nfs/dbraw/zinc/96/03/10/800960310.db2.gz XPFNYPZKCCRONQ-KGLIPLIRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600891 800969950 /nfs/dbraw/zinc/96/99/50/800969950.db2.gz DRRPUHGCHUOJGW-QEJZJMRPSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600891 800969952 /nfs/dbraw/zinc/96/99/52/800969952.db2.gz DRRPUHGCHUOJGW-QEJZJMRPSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034090467 801004498 /nfs/dbraw/zinc/00/44/98/801004498.db2.gz IYWOANILZNZLAO-CYBMUJFWSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034090467 801004507 /nfs/dbraw/zinc/00/45/07/801004507.db2.gz IYWOANILZNZLAO-CYBMUJFWSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225537 801302314 /nfs/dbraw/zinc/30/23/14/801302314.db2.gz CDHUWQQPLXTLHB-INIZCTEOSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225537 801302328 /nfs/dbraw/zinc/30/23/28/801302328.db2.gz CDHUWQQPLXTLHB-INIZCTEOSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071716521 801547708 /nfs/dbraw/zinc/54/77/08/801547708.db2.gz WAZMIDSSKJJLTD-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071716521 801547712 /nfs/dbraw/zinc/54/77/12/801547712.db2.gz WAZMIDSSKJJLTD-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO CCNc1ccc(Nc2ncc(C#N)cc2Cl)c[nH+]1 ZINC001164392993 806944311 /nfs/dbraw/zinc/94/43/11/806944311.db2.gz DDGRGCLHOWUOCS-UHFFFAOYSA-N 1 2 273.727 3.177 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC001113607698 802230135 /nfs/dbraw/zinc/23/01/35/802230135.db2.gz OZSIMQLAWUESAV-UHFFFAOYSA-N 1 2 278.440 3.067 20 30 CGEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1OC ZINC001119923806 802708089 /nfs/dbraw/zinc/70/80/89/802708089.db2.gz PWRGIRPHSXUIGS-CYBMUJFWSA-N 1 2 262.328 3.179 20 30 CGEDLO C=CC[C@@H](C(=O)OCCCc1c[nH+]cn1C)c1ccccc1 ZINC001123066648 802908349 /nfs/dbraw/zinc/90/83/49/802908349.db2.gz WCMBDUXCNRTWOO-QGZVFWFLSA-N 1 2 298.386 3.256 20 30 CGEDLO C=C(CC(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001123589348 802955990 /nfs/dbraw/zinc/95/59/90/802955990.db2.gz MUFOMODTEKCTRR-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(N)c1 ZINC001244395014 803343554 /nfs/dbraw/zinc/34/35/54/803343554.db2.gz GNHGJCIMGRTUTC-RGVLZGJSSA-N 1 2 278.359 3.337 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132247935 803387222 /nfs/dbraw/zinc/38/72/22/803387222.db2.gz AFGZJDIJYROUGU-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132247935 803387228 /nfs/dbraw/zinc/38/72/28/803387228.db2.gz AFGZJDIJYROUGU-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132282065 803392074 /nfs/dbraw/zinc/39/20/74/803392074.db2.gz HRWSVVAVCZAALC-KBPBESRZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132282065 803392079 /nfs/dbraw/zinc/39/20/79/803392079.db2.gz HRWSVVAVCZAALC-KBPBESRZSA-N 1 2 298.858 3.144 20 30 CGEDLO Cc1c(O)cccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001244960430 803594092 /nfs/dbraw/zinc/59/40/92/803594092.db2.gz SFGUICAWWSCNBH-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO COc1cccc(F)c1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001138380144 803910687 /nfs/dbraw/zinc/91/06/87/803910687.db2.gz RPFWEIIMXFCUKY-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc(F)c1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001138380144 803910691 /nfs/dbraw/zinc/91/06/91/803910691.db2.gz RPFWEIIMXFCUKY-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)cc2c1 ZINC001138416358 803923833 /nfs/dbraw/zinc/92/38/33/803923833.db2.gz VQMYTPLQXBWJRA-INIZCTEOSA-N 1 2 298.411 3.250 20 30 CGEDLO COc1c(C)cc(C[N@@H+]2CCC[C@H](C#N)C2)cc1C ZINC001138428265 803931455 /nfs/dbraw/zinc/93/14/55/803931455.db2.gz CAPWNRRDBLPKEC-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1c(C)cc(C[N@H+]2CCC[C@H](C#N)C2)cc1C ZINC001138428265 803931461 /nfs/dbraw/zinc/93/14/61/803931461.db2.gz CAPWNRRDBLPKEC-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001138662429 803997171 /nfs/dbraw/zinc/99/71/71/803997171.db2.gz XWGPFRKMTDKVDX-OAHLLOKOSA-N 1 2 291.366 3.145 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001138662429 803997176 /nfs/dbraw/zinc/99/71/76/803997176.db2.gz XWGPFRKMTDKVDX-OAHLLOKOSA-N 1 2 291.366 3.145 20 30 CGEDLO C#CC[N@@H+](Cc1cnccc1OC)[C@@H]1CCc2ccccc21 ZINC001139609253 804226755 /nfs/dbraw/zinc/22/67/55/804226755.db2.gz QGRVXLAKFMRVJI-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO C#CC[N@H+](Cc1cnccc1OC)[C@@H]1CCc2ccccc21 ZINC001139609253 804226763 /nfs/dbraw/zinc/22/67/63/804226763.db2.gz QGRVXLAKFMRVJI-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO CC[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1F ZINC001139651158 804243310 /nfs/dbraw/zinc/24/33/10/804243310.db2.gz GOUWSVKRFANKPV-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1F ZINC001139651158 804243317 /nfs/dbraw/zinc/24/33/17/804243317.db2.gz GOUWSVKRFANKPV-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO Cc1ccc(C(F)(F)F)cc1C[N@H+](C)CCC#N ZINC001139884354 804313089 /nfs/dbraw/zinc/31/30/89/804313089.db2.gz ZFVTYCYANIMCPY-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)CCC#N ZINC001139884354 804313099 /nfs/dbraw/zinc/31/30/99/804313099.db2.gz ZFVTYCYANIMCPY-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO Cc1ccc2[nH]nc(C[N@@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC001140333097 804416445 /nfs/dbraw/zinc/41/64/45/804416445.db2.gz BDLJTMZWBHGUEL-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO Cc1ccc2[nH]nc(C[N@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC001140333097 804416448 /nfs/dbraw/zinc/41/64/48/804416448.db2.gz BDLJTMZWBHGUEL-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO N#CCC1CC[NH+](Cc2c(F)cc(F)cc2F)CC1 ZINC001140532465 804453647 /nfs/dbraw/zinc/45/36/47/804453647.db2.gz HYGGDFMPNXNOAV-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752253 804504940 /nfs/dbraw/zinc/50/49/40/804504940.db2.gz IIGZUZCASGLAPH-ONGXEEELSA-N 1 2 268.282 3.016 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752253 804504945 /nfs/dbraw/zinc/50/49/45/804504945.db2.gz IIGZUZCASGLAPH-ONGXEEELSA-N 1 2 268.282 3.016 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143444149 804851786 /nfs/dbraw/zinc/85/17/86/804851786.db2.gz ZBCMIOCXASLZBB-UHFFFAOYSA-N 1 2 290.260 3.460 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143444149 804851792 /nfs/dbraw/zinc/85/17/92/804851792.db2.gz ZBCMIOCXASLZBB-UHFFFAOYSA-N 1 2 290.260 3.460 20 30 CGEDLO CCOc1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC001143575135 804867437 /nfs/dbraw/zinc/86/74/37/804867437.db2.gz PJGBSIMAVHKGMS-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC001143575135 804867445 /nfs/dbraw/zinc/86/74/45/804867445.db2.gz PJGBSIMAVHKGMS-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO Cc1cc(NC(=O)C#CC(C)(C)C)ccc1-n1cc[nH+]c1 ZINC001143940403 804911420 /nfs/dbraw/zinc/91/14/20/804911420.db2.gz YTBJVSFVALGMJE-UHFFFAOYSA-N 1 2 281.359 3.169 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC001248751736 804983960 /nfs/dbraw/zinc/98/39/60/804983960.db2.gz IRSYWBQSHWKDIW-INIZCTEOSA-N 1 2 296.374 3.149 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC001248751736 804983965 /nfs/dbraw/zinc/98/39/65/804983965.db2.gz IRSYWBQSHWKDIW-INIZCTEOSA-N 1 2 296.374 3.149 20 30 CGEDLO C#Cc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001144576374 805008549 /nfs/dbraw/zinc/00/85/49/805008549.db2.gz JKKLSIALEDVAPG-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001144576374 805008559 /nfs/dbraw/zinc/00/85/59/805008559.db2.gz JKKLSIALEDVAPG-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO N#Cc1ccccc1Cc1c[nH+]c(N)cc1C(F)(F)F ZINC001250045109 805385887 /nfs/dbraw/zinc/38/58/87/805385887.db2.gz WUXPWDXPTFAFDW-UHFFFAOYSA-N 1 2 277.249 3.145 20 30 CGEDLO CC(C)(Nc1ccc2c([nH+]1)CCOC2)c1ccc(C#N)cc1 ZINC001165743128 807017047 /nfs/dbraw/zinc/01/70/47/807017047.db2.gz PKZGVGPMHXBRON-UHFFFAOYSA-N 1 2 293.370 3.373 20 30 CGEDLO Cc1cc2c(cn1)CN(c1[nH+]ccc3ccc(C#N)cc31)C2 ZINC001167109532 807152322 /nfs/dbraw/zinc/15/23/22/807152322.db2.gz IMEWQSJTZMOADN-UHFFFAOYSA-N 1 2 286.338 3.330 20 30 CGEDLO N#CCc1cc2ccccc2c(NCc2cc[nH+]c(N)c2)c1 ZINC001167618168 807215967 /nfs/dbraw/zinc/21/59/67/807215967.db2.gz FFALATUNCVJTPD-UHFFFAOYSA-N 1 2 288.354 3.495 20 30 CGEDLO N#Cc1cc2ccc(NCc3cc[nH+]c(N)c3)cc2cc1C#N ZINC001167616355 807216686 /nfs/dbraw/zinc/21/66/86/807216686.db2.gz HLSDOMHWTWDREW-UHFFFAOYSA-N 1 2 299.337 3.172 20 30 CGEDLO C[C@H](Nc1[nH+]cccc1CC#N)c1cccc(C#N)c1 ZINC001167708364 807230976 /nfs/dbraw/zinc/23/09/76/807230976.db2.gz FIQKOZRKNTYYPB-LBPRGKRZSA-N 1 2 262.316 3.192 20 30 CGEDLO Cc1nc(N[C@H]2CC[C@H](C#N)CC2)c2c([nH+]1)CCCC2 ZINC001167842776 807261524 /nfs/dbraw/zinc/26/15/24/807261524.db2.gz QSUOLGMZCVSEPX-JOCQHMNTSA-N 1 2 270.380 3.158 20 30 CGEDLO Cc1[nH+]c2ccc(NC(=N)c3nccs3)cc2n1C(C)C ZINC001168280970 807371815 /nfs/dbraw/zinc/37/18/15/807371815.db2.gz ZWUVHNHEXJFNAY-UHFFFAOYSA-N 1 2 299.403 3.419 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258509519 807481643 /nfs/dbraw/zinc/48/16/43/807481643.db2.gz ZZMMOIHGQVZPCH-UHFFFAOYSA-N 1 2 271.408 3.327 20 30 CGEDLO CCOc1cccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)c1 ZINC001258513160 807482572 /nfs/dbraw/zinc/48/25/72/807482572.db2.gz SFWWUTRZZSXTPA-KHPPLWFESA-N 1 2 296.370 3.442 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC001258718052 807567919 /nfs/dbraw/zinc/56/79/19/807567919.db2.gz DNPGRKXNIXIPHB-GDBMZVCRSA-N 1 2 275.392 3.105 20 30 CGEDLO Cc1cc(NCC#Cc2ccccc2)[nH+]c2cc[nH]c21 ZINC001170428957 807840301 /nfs/dbraw/zinc/84/03/01/807840301.db2.gz DTGKILMFNDWIKK-UHFFFAOYSA-N 1 2 261.328 3.335 20 30 CGEDLO COC(=O)c1cccc([C@H](C)Nc2[nH+]cccc2CC#N)c1 ZINC001171102219 807984382 /nfs/dbraw/zinc/98/43/82/807984382.db2.gz KSQDGFZXLBLGIP-LBPRGKRZSA-N 1 2 295.342 3.107 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388203 808042861 /nfs/dbraw/zinc/04/28/61/808042861.db2.gz MNJOVYFTADXDTI-BXUZGUMPSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388203 808042864 /nfs/dbraw/zinc/04/28/64/808042864.db2.gz MNJOVYFTADXDTI-BXUZGUMPSA-N 1 2 276.330 3.058 20 30 CGEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2c(F)cccc2C1 ZINC001171438822 808057049 /nfs/dbraw/zinc/05/70/49/808057049.db2.gz VQUVNXIKELHRAZ-CQSZACIVSA-N 1 2 260.356 3.309 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2c(F)cccc2C1 ZINC001171438822 808057056 /nfs/dbraw/zinc/05/70/56/808057056.db2.gz VQUVNXIKELHRAZ-CQSZACIVSA-N 1 2 260.356 3.309 20 30 CGEDLO CC(C)(C)OC(=O)C1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001171928456 808155096 /nfs/dbraw/zinc/15/50/96/808155096.db2.gz HPBJXZFXELNUNY-NRXISQOPSA-N 1 2 292.423 3.265 20 30 CGEDLO CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001171928456 808155100 /nfs/dbraw/zinc/15/51/00/808155100.db2.gz HPBJXZFXELNUNY-NRXISQOPSA-N 1 2 292.423 3.265 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224886 808203462 /nfs/dbraw/zinc/20/34/62/808203462.db2.gz XJBXNCCSBPOARP-MQVJKMGUSA-N 1 2 297.439 3.190 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(C2CCC2)CCC1 ZINC001266406133 808257455 /nfs/dbraw/zinc/25/74/55/808257455.db2.gz VNJJKYSYSALYSL-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(C2CCC2)CCC1 ZINC001266406133 808257459 /nfs/dbraw/zinc/25/74/59/808257459.db2.gz VNJJKYSYSALYSL-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172605180 808401574 /nfs/dbraw/zinc/40/15/74/808401574.db2.gz XECJLOUIJUPIDM-WCQYABFASA-N 1 2 265.328 3.005 20 30 CGEDLO C=CCCC(=O)N(CCC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267449718 808427245 /nfs/dbraw/zinc/42/72/45/808427245.db2.gz FDUCZGDBHYOXMB-AWEZNQCLSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267449718 808427247 /nfs/dbraw/zinc/42/72/47/808427247.db2.gz FDUCZGDBHYOXMB-AWEZNQCLSA-N 1 2 284.831 3.018 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(C#N)c1 ZINC001213034618 815208029 /nfs/dbraw/zinc/20/80/29/815208029.db2.gz UCWNXARTYGCSQC-UHFFFAOYSA-N 1 2 259.272 3.050 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172868075 808468786 /nfs/dbraw/zinc/46/87/86/808468786.db2.gz DHPURSMCWNQSRY-QWRGUYRKSA-N 1 2 266.747 3.256 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](C#N)C1 ZINC001172868075 808468788 /nfs/dbraw/zinc/46/87/88/808468788.db2.gz DHPURSMCWNQSRY-QWRGUYRKSA-N 1 2 266.747 3.256 20 30 CGEDLO C=CCOC1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001173313958 808608050 /nfs/dbraw/zinc/60/80/50/808608050.db2.gz DCYJUVJFKARKTE-UHFFFAOYSA-N 1 2 262.397 3.316 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001269307059 808667915 /nfs/dbraw/zinc/66/79/15/808667915.db2.gz MYOXOJQCZKVSBV-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001269307059 808667920 /nfs/dbraw/zinc/66/79/20/808667920.db2.gz MYOXOJQCZKVSBV-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC001213088224 815230022 /nfs/dbraw/zinc/23/00/22/815230022.db2.gz WVKJBGIKCNLTTR-UHFFFAOYSA-N 1 2 260.300 3.197 20 30 CGEDLO C=CCCCC(=O)N[C@@H](C)C[N@H+](C)CC=C(Cl)Cl ZINC001275630237 808952814 /nfs/dbraw/zinc/95/28/14/808952814.db2.gz RXTOYVQCKYWVTH-NSHDSACASA-N 1 2 293.238 3.098 20 30 CGEDLO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC=C(Cl)Cl ZINC001275630237 808952818 /nfs/dbraw/zinc/95/28/18/808952818.db2.gz RXTOYVQCKYWVTH-NSHDSACASA-N 1 2 293.238 3.098 20 30 CGEDLO N#Cc1cncc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523746 809060807 /nfs/dbraw/zinc/06/08/07/809060807.db2.gz YZUYMKMIKAWCQD-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001278438112 809133779 /nfs/dbraw/zinc/13/37/79/809133779.db2.gz OQNXNPMWDQVWJP-BBRMVZONSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001278438112 809133781 /nfs/dbraw/zinc/13/37/81/809133781.db2.gz OQNXNPMWDQVWJP-BBRMVZONSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001282740059 809261873 /nfs/dbraw/zinc/26/18/73/809261873.db2.gz LGQZLQHKUQZFAQ-QWHCGFSZSA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cccc(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175343104 809367741 /nfs/dbraw/zinc/36/77/41/809367741.db2.gz WREMHFIQJBXSIP-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO Cc1cc(C)c(Nc2ccc(Cl)nc2C#N)c[nH+]1 ZINC001213503591 815292299 /nfs/dbraw/zinc/29/22/99/815292299.db2.gz NYMLVPNGGIACJL-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001295582504 809489935 /nfs/dbraw/zinc/48/99/35/809489935.db2.gz MTGYYPMVPFDNSQ-CYBMUJFWSA-N 1 2 299.374 3.053 20 30 CGEDLO COC(=O)c1cc(Nc2c[nH+]c(C)cc2C)ccc1C#N ZINC001213520725 815296337 /nfs/dbraw/zinc/29/63/37/815296337.db2.gz GQBPFWCGDLRRBZ-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1c[nH+]cc(C)c1C ZINC001213536386 815302453 /nfs/dbraw/zinc/30/24/53/815302453.db2.gz GOHMWUXMBOXZAS-UHFFFAOYSA-N 1 2 295.342 3.409 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CCCCCCCC#CC)CC1 ZINC001182768978 810123893 /nfs/dbraw/zinc/12/38/93/810123893.db2.gz OXWNGVHOUGYOSM-UHFFFAOYSA-N 1 2 290.451 3.071 20 30 CGEDLO CCCCCCC[N@@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001201798610 811966798 /nfs/dbraw/zinc/96/67/98/811966798.db2.gz XYLWLUJLCCDVSO-UHFFFAOYSA-N 1 2 294.395 3.180 20 30 CGEDLO CCCCCCC[N@H+]1CCc2oc(C(=O)OCC)nc2C1 ZINC001201798610 811966804 /nfs/dbraw/zinc/96/68/04/811966804.db2.gz XYLWLUJLCCDVSO-UHFFFAOYSA-N 1 2 294.395 3.180 20 30 CGEDLO C=CCSCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001201947426 811980485 /nfs/dbraw/zinc/98/04/85/811980485.db2.gz YSAOROVVFYMVOA-UHFFFAOYSA-N 1 2 275.776 3.194 20 30 CGEDLO COC(=O)c1scc(C#N)c1Nc1ccc(C)[nH+]c1C ZINC001203370901 812328431 /nfs/dbraw/zinc/32/84/31/812328431.db2.gz ZYJLFKPCZSITGZ-UHFFFAOYSA-N 1 2 287.344 3.162 20 30 CGEDLO CCc1cc(C#N)ccc1Nc1ccc(NC)[nH+]c1 ZINC001203456648 812365134 /nfs/dbraw/zinc/36/51/34/812365134.db2.gz OQTLMHCHTBCDMX-UHFFFAOYSA-N 1 2 252.321 3.301 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(OC(C)C)c2)cc[nH+]1 ZINC001215495890 815525953 /nfs/dbraw/zinc/52/59/53/815525953.db2.gz JJMFNEOXWWYLIT-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(C(C)(C)C)oc1C ZINC001204776212 812733187 /nfs/dbraw/zinc/73/31/87/812733187.db2.gz LTVWXDVCCBEVEU-UHFFFAOYSA-N 1 2 257.377 3.344 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(C(C)(C)C)oc1C ZINC001204776212 812733192 /nfs/dbraw/zinc/73/31/92/812733192.db2.gz LTVWXDVCCBEVEU-UHFFFAOYSA-N 1 2 257.377 3.344 20 30 CGEDLO Cc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)cc(C)[nH+]1 ZINC001205986609 813152680 /nfs/dbraw/zinc/15/26/80/813152680.db2.gz OEBBSLXGDHTQJO-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO C[C@H]1CC[N@H+](CCCc2cccc(C#N)c2)CC1(F)F ZINC001208845010 813863530 /nfs/dbraw/zinc/86/35/30/813863530.db2.gz NIHZPHOEMKZYOZ-ZDUSSCGKSA-N 1 2 278.346 3.468 20 30 CGEDLO C[C@H]1CC[N@@H+](CCCc2cccc(C#N)c2)CC1(F)F ZINC001208845010 813863539 /nfs/dbraw/zinc/86/35/39/813863539.db2.gz NIHZPHOEMKZYOZ-ZDUSSCGKSA-N 1 2 278.346 3.468 20 30 CGEDLO C=CCCC[N@@H+]1CCc2nc(Br)sc2C1 ZINC001209160331 813952331 /nfs/dbraw/zinc/95/23/31/813952331.db2.gz QYHGVDBNTWWEMO-UHFFFAOYSA-N 1 2 287.226 3.230 20 30 CGEDLO C=CCCC[N@H+]1CCc2nc(Br)sc2C1 ZINC001209160331 813952339 /nfs/dbraw/zinc/95/23/39/813952339.db2.gz QYHGVDBNTWWEMO-UHFFFAOYSA-N 1 2 287.226 3.230 20 30 CGEDLO N#Cc1ccccc1-c1cc(C[NH+]2CCOCC2)ccc1F ZINC001242716845 823110549 /nfs/dbraw/zinc/11/05/49/823110549.db2.gz ILLWQKQSKKPAGZ-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO COc1cc(Nc2nc(Cl)cc(C)c2C#N)cc(C)[nH+]1 ZINC001210780678 814626266 /nfs/dbraw/zinc/62/62/66/814626266.db2.gz ZUWOJGYSHCJECL-UHFFFAOYSA-N 1 2 288.738 3.371 20 30 CGEDLO C#Cc1cc(Nc2cncc(-c3ccccc3)c2)cc[nH+]1 ZINC001211019834 814708763 /nfs/dbraw/zinc/70/87/63/814708763.db2.gz JCUJCUNBNOJJJL-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO CC#Cc1cncc(Nc2cccc3[nH+]c(C)cn32)c1 ZINC001211054118 814724217 /nfs/dbraw/zinc/72/42/17/814724217.db2.gz LHMNAUKWIIHWGX-UHFFFAOYSA-N 1 2 262.316 3.153 20 30 CGEDLO N#Cc1cccc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc12 ZINC001218012061 816052441 /nfs/dbraw/zinc/05/24/41/816052441.db2.gz LIFFSPADVBRFBV-OAHLLOKOSA-N 1 2 288.297 3.087 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)Oc1cc(N)cc[nH+]1 ZINC001218346578 816173404 /nfs/dbraw/zinc/17/34/04/816173404.db2.gz BMCUITHFKRSKFS-LBPRGKRZSA-N 1 2 270.332 3.369 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)OCc1c[nH+]cn1C ZINC001222600416 816476120 /nfs/dbraw/zinc/47/61/20/816476120.db2.gz OPIUDJONLZKSID-CYBMUJFWSA-N 1 2 272.348 3.263 20 30 CGEDLO C=CC(C=C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226706074 817440776 /nfs/dbraw/zinc/44/07/76/817440776.db2.gz KJIVHPLHAPZIPB-UHFFFAOYSA-N 1 2 295.386 3.087 20 30 CGEDLO C=CC(C=C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226706074 817440782 /nfs/dbraw/zinc/44/07/82/817440782.db2.gz KJIVHPLHAPZIPB-UHFFFAOYSA-N 1 2 295.386 3.087 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001231624981 818140658 /nfs/dbraw/zinc/14/06/58/818140658.db2.gz JBJKMISYEGUAAQ-UHFFFAOYSA-N 1 2 273.376 3.052 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001231624981 818140664 /nfs/dbraw/zinc/14/06/64/818140664.db2.gz JBJKMISYEGUAAQ-UHFFFAOYSA-N 1 2 273.376 3.052 20 30 CGEDLO C=CC[NH+]1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC001231681686 818157308 /nfs/dbraw/zinc/15/73/08/818157308.db2.gz AWIMMFWLVJBVHH-UHFFFAOYSA-N 1 2 299.443 3.114 20 30 CGEDLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001232608515 818394393 /nfs/dbraw/zinc/39/43/93/818394393.db2.gz KYEHGFHXDGOBAY-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001232608515 818394399 /nfs/dbraw/zinc/39/43/99/818394399.db2.gz KYEHGFHXDGOBAY-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232673581 818415166 /nfs/dbraw/zinc/41/51/66/818415166.db2.gz JNHMKAOPUKYDGN-UHFFFAOYSA-N 1 2 266.344 3.286 20 30 CGEDLO CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232673581 818415170 /nfs/dbraw/zinc/41/51/70/818415170.db2.gz JNHMKAOPUKYDGN-UHFFFAOYSA-N 1 2 266.344 3.286 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C)cc1C#N)CC2 ZINC001232962910 818484524 /nfs/dbraw/zinc/48/45/24/818484524.db2.gz UDYUXYUTBJZEGK-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C)cc1C#N)CC2 ZINC001232962910 818484529 /nfs/dbraw/zinc/48/45/29/818484529.db2.gz UDYUXYUTBJZEGK-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233358726 818597192 /nfs/dbraw/zinc/59/71/92/818597192.db2.gz RZVGQFIVSHHDGU-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233358726 818597198 /nfs/dbraw/zinc/59/71/98/818597198.db2.gz RZVGQFIVSHHDGU-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1ccc(F)cc1F ZINC001233387164 818606361 /nfs/dbraw/zinc/60/63/61/818606361.db2.gz XJMUEHCZEGNYQE-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC001234509278 818870343 /nfs/dbraw/zinc/87/03/43/818870343.db2.gz JJIQKTHPHPCCIF-WGPYJDKQSA-N 1 2 296.842 3.040 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl ZINC001234509278 818870352 /nfs/dbraw/zinc/87/03/52/818870352.db2.gz JJIQKTHPHPCCIF-WGPYJDKQSA-N 1 2 296.842 3.040 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236778487 819593645 /nfs/dbraw/zinc/59/36/45/819593645.db2.gz KIRNMXOPWJIPOY-UHFFFAOYSA-N 1 2 292.354 3.128 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236778487 819593651 /nfs/dbraw/zinc/59/36/51/819593651.db2.gz KIRNMXOPWJIPOY-UHFFFAOYSA-N 1 2 292.354 3.128 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237525799 819772347 /nfs/dbraw/zinc/77/23/47/819772347.db2.gz VOBMPRBGQSKIAB-VIFPVBQESA-N 1 2 286.272 3.314 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237525799 819772351 /nfs/dbraw/zinc/77/23/51/819772351.db2.gz VOBMPRBGQSKIAB-VIFPVBQESA-N 1 2 286.272 3.314 20 30 CGEDLO C=CC[N@@H+](Cc1occc1OC)Cc1ccccc1 ZINC001237874819 819865710 /nfs/dbraw/zinc/86/57/10/819865710.db2.gz NBJLZVOTZADAIM-UHFFFAOYSA-N 1 2 257.333 3.476 20 30 CGEDLO C=CC[N@H+](Cc1occc1OC)Cc1ccccc1 ZINC001237874819 819865724 /nfs/dbraw/zinc/86/57/24/819865724.db2.gz NBJLZVOTZADAIM-UHFFFAOYSA-N 1 2 257.333 3.476 20 30 CGEDLO N#Cc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)ccc1Cl ZINC001238199446 819954012 /nfs/dbraw/zinc/95/40/12/819954012.db2.gz UKMOWKSBWIKSNX-LBPRGKRZSA-N 1 2 296.798 3.241 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC001238408052 819988602 /nfs/dbraw/zinc/98/86/02/819988602.db2.gz XIOKAMNYMVOCJR-UHFFFAOYSA-N 1 2 271.364 3.083 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC001238408052 819988610 /nfs/dbraw/zinc/98/86/10/819988610.db2.gz XIOKAMNYMVOCJR-UHFFFAOYSA-N 1 2 271.364 3.083 20 30 CGEDLO C=CC[N@@H+](C)Cc1cccc(OCC)c1Br ZINC001238688365 820085432 /nfs/dbraw/zinc/08/54/32/820085432.db2.gz VWTZYZUXMJPOCS-UHFFFAOYSA-N 1 2 284.197 3.466 20 30 CGEDLO C=CC[N@H+](C)Cc1cccc(OCC)c1Br ZINC001238688365 820085443 /nfs/dbraw/zinc/08/54/43/820085443.db2.gz VWTZYZUXMJPOCS-UHFFFAOYSA-N 1 2 284.197 3.466 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238709971 820093183 /nfs/dbraw/zinc/09/31/83/820093183.db2.gz FAVRKOJXVMGFDC-KRWDZBQOSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238709971 820093193 /nfs/dbraw/zinc/09/31/93/820093193.db2.gz FAVRKOJXVMGFDC-KRWDZBQOSA-N 1 2 287.382 3.161 20 30 CGEDLO N#Cc1c[nH]c2cc(-c3ccc4[nH+]ccn4c3)ccc12 ZINC001240218287 820892970 /nfs/dbraw/zinc/89/29/70/820892970.db2.gz KBKPKLLDZAGEFO-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#Cc1ccc2ccnc(-c3ccn4cc[nH+]c4c3)c2c1 ZINC001240496687 821092458 /nfs/dbraw/zinc/09/24/58/821092458.db2.gz QGBLCOBXKUDHSR-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO C#Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001242295575 822942107 /nfs/dbraw/zinc/94/21/07/822942107.db2.gz YJQARPYNVMNZFW-DEDYPNTBSA-N 1 2 273.339 3.428 20 30 CGEDLO N#Cc1cc(-c2ccc(-n3cc[nH+]c3)cc2)ccc1O ZINC001242564525 823033971 /nfs/dbraw/zinc/03/39/71/823033971.db2.gz FFFHHCGXZVNJIP-UHFFFAOYSA-N 1 2 261.284 3.117 20 30 CGEDLO C#Cc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001210114874 926708372 /nfs/dbraw/zinc/70/83/72/926708372.db2.gz GBMMHHVJFVYAMK-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO N#Cc1sccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001354732809 937111980 /nfs/dbraw/zinc/11/19/80/937111980.db2.gz KTBAOTPYHMNQIG-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)CC(C)C ZINC001481010948 926858368 /nfs/dbraw/zinc/85/83/68/926858368.db2.gz MHPBDERFXWVAKX-UHFFFAOYSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)CC(C)C ZINC001481010948 926858372 /nfs/dbraw/zinc/85/83/72/926858372.db2.gz MHPBDERFXWVAKX-UHFFFAOYSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Br)C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001473888912 937828013 /nfs/dbraw/zinc/82/80/13/937828013.db2.gz YHUSONJSZKFQGY-CQSZACIVSA-N 1 2 296.208 3.359 20 30 CGEDLO C=C(Br)C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001473888912 937828014 /nfs/dbraw/zinc/82/80/14/937828014.db2.gz YHUSONJSZKFQGY-CQSZACIVSA-N 1 2 296.208 3.359 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001485573540 927893909 /nfs/dbraw/zinc/89/39/09/927893909.db2.gz BVXPSIMOAJYZCM-CQSZACIVSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001485573540 927893921 /nfs/dbraw/zinc/89/39/21/927893921.db2.gz BVXPSIMOAJYZCM-CQSZACIVSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)C=C1CCC1)C(C)C ZINC001486366577 928008595 /nfs/dbraw/zinc/00/85/95/928008595.db2.gz DUYXQRLHVPIPPJ-UHFFFAOYSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)C=C1CCC1)C(C)C ZINC001486366577 928008609 /nfs/dbraw/zinc/00/86/09/928008609.db2.gz DUYXQRLHVPIPPJ-UHFFFAOYSA-N 1 2 284.831 3.018 20 30 CGEDLO N#CCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000259353871 928230868 /nfs/dbraw/zinc/23/08/68/928230868.db2.gz YXSCZTXOSABGRN-UHFFFAOYSA-N 1 2 251.333 3.171 20 30 CGEDLO N#CCC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000259353871 928230880 /nfs/dbraw/zinc/23/08/80/928230880.db2.gz YXSCZTXOSABGRN-UHFFFAOYSA-N 1 2 251.333 3.171 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OC ZINC001462503248 928793807 /nfs/dbraw/zinc/79/38/07/928793807.db2.gz IDQBQQTXQASBJG-ZBFHGGJFSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001546037736 937395093 /nfs/dbraw/zinc/39/50/93/937395093.db2.gz OQDAFADMPDGZQT-KRWDZBQOSA-N 1 2 297.402 3.324 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364824 937528485 /nfs/dbraw/zinc/52/84/85/937528485.db2.gz UHBZBCYWTHJKOP-CJNGLKHVSA-N 1 2 291.366 3.328 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364824 937528488 /nfs/dbraw/zinc/52/84/88/937528488.db2.gz UHBZBCYWTHJKOP-CJNGLKHVSA-N 1 2 291.366 3.328 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1C(F)(F)F ZINC000088191106 932005249 /nfs/dbraw/zinc/00/52/49/932005249.db2.gz UBUGFFKDPOGNLE-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cncc(OC)c1C ZINC001461897741 937604554 /nfs/dbraw/zinc/60/45/54/937604554.db2.gz KTOOCGYAAMWBEL-UHFFFAOYSA-N 1 2 298.361 3.173 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cncc(OC)c1C ZINC001461897741 937604557 /nfs/dbraw/zinc/60/45/57/937604557.db2.gz KTOOCGYAAMWBEL-UHFFFAOYSA-N 1 2 298.361 3.173 20 30 CGEDLO C=CCSCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001307091977 932912004 /nfs/dbraw/zinc/91/20/04/932912004.db2.gz MASSXMURAQWKKL-UHFFFAOYSA-N 1 2 263.410 3.384 20 30 CGEDLO Cc1cccc(N2CC[NH+](Cc3csc(C#N)c3)CC2)c1 ZINC001308655750 933151192 /nfs/dbraw/zinc/15/11/92/933151192.db2.gz VYYMVHDSMXFFBN-UHFFFAOYSA-N 1 2 297.427 3.250 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)s1)C1CC1 ZINC001308773842 933173757 /nfs/dbraw/zinc/17/37/57/933173757.db2.gz OVFBSZMEYXWMEL-UHFFFAOYSA-N 1 2 291.416 3.301 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)s1)C1CC1 ZINC001308773842 933173760 /nfs/dbraw/zinc/17/37/60/933173760.db2.gz OVFBSZMEYXWMEL-UHFFFAOYSA-N 1 2 291.416 3.301 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001317753572 933642718 /nfs/dbraw/zinc/64/27/18/933642718.db2.gz KPZWGRIOVPJUJR-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001317753572 933642724 /nfs/dbraw/zinc/64/27/24/933642724.db2.gz KPZWGRIOVPJUJR-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001317988179 933671532 /nfs/dbraw/zinc/67/15/32/933671532.db2.gz SPQIHINSKZRMRV-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001317988179 933671541 /nfs/dbraw/zinc/67/15/41/933671541.db2.gz SPQIHINSKZRMRV-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001318052345 933678653 /nfs/dbraw/zinc/67/86/53/933678653.db2.gz ZVPHMVSRXQNERN-AWEZNQCLSA-N 1 2 286.419 3.150 20 30 CGEDLO CC#CCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC001320702294 934091534 /nfs/dbraw/zinc/09/15/34/934091534.db2.gz QROAZHQKBQSRIK-UHFFFAOYSA-N 1 2 256.374 3.437 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@@H](CC)c1ccccc1)C(=O)OCC ZINC001320908452 934121284 /nfs/dbraw/zinc/12/12/84/934121284.db2.gz ZRDWLFIODHDNJU-GDBMZVCRSA-N 1 2 275.392 3.278 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC001470268063 937750441 /nfs/dbraw/zinc/75/04/41/937750441.db2.gz VQQSXHRSHXSPLE-YOEHRIQHSA-N 1 2 284.403 3.236 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC001470268063 937750442 /nfs/dbraw/zinc/75/04/42/937750442.db2.gz VQQSXHRSHXSPLE-YOEHRIQHSA-N 1 2 284.403 3.236 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001322307740 934275053 /nfs/dbraw/zinc/27/50/53/934275053.db2.gz SHXNHTISVPDLPD-PPWQZUPISA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001322307740 934275062 /nfs/dbraw/zinc/27/50/62/934275062.db2.gz SHXNHTISVPDLPD-PPWQZUPISA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cc(CNc2cc(C#N)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001472808930 937784943 /nfs/dbraw/zinc/78/49/43/937784943.db2.gz HFGOOVLINYPANG-UHFFFAOYSA-N 1 2 282.303 3.090 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccsc1)C(=O)OCC ZINC001326380096 934975781 /nfs/dbraw/zinc/97/57/81/934975781.db2.gz FHGDDGNZRKPBGE-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CC(CC)CC)cc2C1 ZINC001327696402 935077783 /nfs/dbraw/zinc/07/77/83/935077783.db2.gz RCTUSPOKBINUBF-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC(CC)CC)cc2C1 ZINC001327696402 935077791 /nfs/dbraw/zinc/07/77/91/935077791.db2.gz RCTUSPOKBINUBF-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCc3cc(C)cc(C)c3C2)nn1 ZINC001474759917 937879211 /nfs/dbraw/zinc/87/92/11/937879211.db2.gz DBGRPXMWJBPLLM-UHFFFAOYSA-N 1 2 296.418 3.029 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCc3cc(C)cc(C)c3C2)nn1 ZINC001474759917 937879213 /nfs/dbraw/zinc/87/92/13/937879213.db2.gz DBGRPXMWJBPLLM-UHFFFAOYSA-N 1 2 296.418 3.029 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001494451986 937954896 /nfs/dbraw/zinc/95/48/96/937954896.db2.gz KCRKQYKVBIRRES-OAHLLOKOSA-N 1 2 278.440 3.136 20 30 CGEDLO C=C[C@@H](CC(=O)Nc1c(C)c[nH+]cc1C)c1ccccc1 ZINC001537892081 938113986 /nfs/dbraw/zinc/11/39/86/938113986.db2.gz SAQHAHXOUWJSNK-HNNXBMFYSA-N 1 2 280.371 3.419 20 30 CGEDLO C=CCC[C@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001559189622 938221940 /nfs/dbraw/zinc/22/19/40/938221940.db2.gz USOGCWQEIWUCSY-CYBMUJFWSA-N 1 2 277.412 3.462 20 30 CGEDLO C#Cc1ccc(C[NH+]2CC(OC(C)(C)CC)C2)cc1 ZINC001560933858 938284958 /nfs/dbraw/zinc/28/49/58/938284958.db2.gz BCUFNMOCIPOGNB-UHFFFAOYSA-N 1 2 257.377 3.057 20 30 CGEDLO CC(C)(C)c1ccc(NCc2ncc(C#N)s2)[nH+]c1 ZINC001161005441 958834844 /nfs/dbraw/zinc/83/48/44/958834844.db2.gz OHSFRIKEOMINMX-UHFFFAOYSA-N 1 2 272.377 3.319 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001567305858 961275467 /nfs/dbraw/zinc/27/54/67/961275467.db2.gz QLDSCVWLQFNPEY-KBPBESRZSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001567305858 961275475 /nfs/dbraw/zinc/27/54/75/961275475.db2.gz QLDSCVWLQFNPEY-KBPBESRZSA-N 1 2 298.858 3.003 20 30 CGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001569461690 961767425 /nfs/dbraw/zinc/76/74/25/961767425.db2.gz GPFIKEZFIPJBFV-OAGGEKHMSA-N 1 2 296.430 3.156 20 30 CGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001569461690 961767431 /nfs/dbraw/zinc/76/74/31/961767431.db2.gz GPFIKEZFIPJBFV-OAGGEKHMSA-N 1 2 296.430 3.156 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001569491722 961779003 /nfs/dbraw/zinc/77/90/03/961779003.db2.gz BNHFWTFVVJRAHS-HNNXBMFYSA-N 1 2 280.456 3.312 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1cc(OC)ncc1Br ZINC000621245764 349479418 /nfs/dbraw/zinc/47/94/18/349479418.db2.gz VQGXMCLFKGQXFK-UHFFFAOYSA-N 1 2 299.212 3.251 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1cc(OC)ncc1Br ZINC000621245764 349479422 /nfs/dbraw/zinc/47/94/22/349479422.db2.gz VQGXMCLFKGQXFK-UHFFFAOYSA-N 1 2 299.212 3.251 20 30 CGEDLO Cc1[nH]ncc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350654823 219043096 /nfs/dbraw/zinc/04/30/96/219043096.db2.gz HHYUKUIGEYOEEZ-UHFFFAOYSA-N 1 2 282.391 3.248 20 30 CGEDLO Cc1[nH]ncc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350654823 219043098 /nfs/dbraw/zinc/04/30/98/219043098.db2.gz HHYUKUIGEYOEEZ-UHFFFAOYSA-N 1 2 282.391 3.248 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000589998579 346820861 /nfs/dbraw/zinc/82/08/61/346820861.db2.gz IHHYXYSNWQTHBE-MRXNPFEDSA-N 1 2 291.366 3.041 20 30 CGEDLO C=CC[C@H]1CC[C@@H]([NH2+]Cc2[nH]ncc2Br)C1 ZINC000651720328 398275180 /nfs/dbraw/zinc/27/51/80/398275180.db2.gz WXZDNKKSISGCII-VHSXEESVSA-N 1 2 284.201 3.007 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000590660594 346860937 /nfs/dbraw/zinc/86/09/37/346860937.db2.gz XBYAKGSKMNKNGN-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000590660594 346860942 /nfs/dbraw/zinc/86/09/42/346860942.db2.gz XBYAKGSKMNKNGN-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO C[N@@H+](CCC#N)CCSc1ccc(Cl)cc1 ZINC000096969363 185144178 /nfs/dbraw/zinc/14/41/78/185144178.db2.gz UCRILXNQIBIQQE-UHFFFAOYSA-N 1 2 254.786 3.278 20 30 CGEDLO C[N@H+](CCC#N)CCSc1ccc(Cl)cc1 ZINC000096969363 185144180 /nfs/dbraw/zinc/14/41/80/185144180.db2.gz UCRILXNQIBIQQE-UHFFFAOYSA-N 1 2 254.786 3.278 20 30 CGEDLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000591148451 346904418 /nfs/dbraw/zinc/90/44/18/346904418.db2.gz ZGAGCCYSIXMRGK-LLVKDONJSA-N 1 2 279.347 3.096 20 30 CGEDLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000591148451 346904422 /nfs/dbraw/zinc/90/44/22/346904422.db2.gz ZGAGCCYSIXMRGK-LLVKDONJSA-N 1 2 279.347 3.096 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC000591377365 346918920 /nfs/dbraw/zinc/91/89/20/346918920.db2.gz SUXMSUDVVYKMMF-YUELXQCFSA-N 1 2 293.794 3.293 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000592505474 346993836 /nfs/dbraw/zinc/99/38/36/346993836.db2.gz UUODLQFGTKXOOP-AWEZNQCLSA-N 1 2 294.402 3.305 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000592505474 346993839 /nfs/dbraw/zinc/99/38/39/346993839.db2.gz UUODLQFGTKXOOP-AWEZNQCLSA-N 1 2 294.402 3.305 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000592507123 346994074 /nfs/dbraw/zinc/99/40/74/346994074.db2.gz HNFALDNZQKWGKI-KRWDZBQOSA-N 1 2 298.390 3.114 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000592507123 346994076 /nfs/dbraw/zinc/99/40/76/346994076.db2.gz HNFALDNZQKWGKI-KRWDZBQOSA-N 1 2 298.390 3.114 20 30 CGEDLO C=CCCOCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000623822241 349889863 /nfs/dbraw/zinc/88/98/63/349889863.db2.gz SAHMXJQAUGFMQX-UHFFFAOYSA-N 1 2 299.374 3.362 20 30 CGEDLO CC(C)Oc1cc[nH+]c(CN(CCC#N)Cc2ccco2)c1 ZINC000593016479 347027939 /nfs/dbraw/zinc/02/79/39/347027939.db2.gz PKBOTMFEELODPK-UHFFFAOYSA-N 1 2 299.374 3.378 20 30 CGEDLO C[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC(F)F ZINC000437397747 530008395 /nfs/dbraw/zinc/00/83/95/530008395.db2.gz PTRSGKZDJLKYGV-UHFFFAOYSA-N 1 2 292.285 3.385 20 30 CGEDLO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC(F)F ZINC000437397747 530008396 /nfs/dbraw/zinc/00/83/96/530008396.db2.gz PTRSGKZDJLKYGV-UHFFFAOYSA-N 1 2 292.285 3.385 20 30 CGEDLO N#Cc1cc([N+](=O)[O-])ccc1Sc1[nH+]cc2ccccn21 ZINC000032509916 344932462 /nfs/dbraw/zinc/93/24/62/344932462.db2.gz YHVWZOSVXQJRHY-UHFFFAOYSA-N 1 2 296.311 3.265 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1cccc(F)c1C#N ZINC000295093830 199340738 /nfs/dbraw/zinc/34/07/38/199340738.db2.gz ZQXOUWZNMUSHOK-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2cccc(C)c2)no1 ZINC000045914509 345031966 /nfs/dbraw/zinc/03/19/66/345031966.db2.gz HPOHOKXHRWCISY-UHFFFAOYSA-N 1 2 269.348 3.219 20 30 CGEDLO CCn1cc[nH+]c1CNc1cc(C#N)ccc1C(F)(F)F ZINC000295093687 199341470 /nfs/dbraw/zinc/34/14/70/199341470.db2.gz ZOGHOBVYENSDCJ-UHFFFAOYSA-N 1 2 294.280 3.406 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCCOC2CCCCC2)c1O ZINC000061242211 345228213 /nfs/dbraw/zinc/22/82/13/345228213.db2.gz FVRMKXYPXLVCLP-SFQUDFHCSA-N 1 2 277.364 3.256 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000067406493 345320689 /nfs/dbraw/zinc/32/06/89/345320689.db2.gz QDYMMEZFPNUOPG-JTQLQIEISA-N 1 2 272.270 3.019 20 30 CGEDLO N#CCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399348 345321122 /nfs/dbraw/zinc/32/11/22/345321122.db2.gz IFWGJSNKBUIFJR-UHFFFAOYSA-N 1 2 294.398 3.374 20 30 CGEDLO N#CCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399348 345321125 /nfs/dbraw/zinc/32/11/25/345321125.db2.gz IFWGJSNKBUIFJR-UHFFFAOYSA-N 1 2 294.398 3.374 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1SC ZINC000068813925 345364916 /nfs/dbraw/zinc/36/49/16/345364916.db2.gz XKHGVEBWDSNQRB-NSHDSACASA-N 1 2 264.394 3.009 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1SC ZINC000068813925 345364918 /nfs/dbraw/zinc/36/49/18/345364918.db2.gz XKHGVEBWDSNQRB-NSHDSACASA-N 1 2 264.394 3.009 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000076154055 345536341 /nfs/dbraw/zinc/53/63/41/345536341.db2.gz XAYCKQDSXPZMPU-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000076154055 345536346 /nfs/dbraw/zinc/53/63/46/345536346.db2.gz XAYCKQDSXPZMPU-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000080947397 345690509 /nfs/dbraw/zinc/69/05/09/345690509.db2.gz VEACXBNLBZJJII-SNVBAGLBSA-N 1 2 277.331 3.311 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000157728964 232233657 /nfs/dbraw/zinc/23/36/57/232233657.db2.gz YZDCVAVCXCTHMD-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCc2ccccc2C1 ZINC000157728964 232233658 /nfs/dbraw/zinc/23/36/58/232233658.db2.gz YZDCVAVCXCTHMD-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1ccc(F)c(CNc2cc[nH+]c3ccncc23)c1 ZINC000085688622 345747708 /nfs/dbraw/zinc/74/77/08/345747708.db2.gz JEZWKGOHBHKSPW-UHFFFAOYSA-N 1 2 278.290 3.253 20 30 CGEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000122648891 346006273 /nfs/dbraw/zinc/00/62/73/346006273.db2.gz AHJRADMZFXUAQB-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO CC#CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000122648891 346006278 /nfs/dbraw/zinc/00/62/78/346006278.db2.gz AHJRADMZFXUAQB-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Br)ccc1Cl ZINC000134970190 346084566 /nfs/dbraw/zinc/08/45/66/346084566.db2.gz DMZPWWRTIIOLMY-QMMMGPOBSA-N 1 2 287.588 3.494 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(F)c(F)cc2F)CCCC1 ZINC000593653023 347099071 /nfs/dbraw/zinc/09/90/71/347099071.db2.gz WYKCMHCQUDILFR-UHFFFAOYSA-N 1 2 268.282 3.277 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CO1 ZINC000403852487 346598087 /nfs/dbraw/zinc/59/80/87/346598087.db2.gz GTPBCDQSHXRFCB-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CO1 ZINC000403852487 346598092 /nfs/dbraw/zinc/59/80/92/346598092.db2.gz GTPBCDQSHXRFCB-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000403812734 346598334 /nfs/dbraw/zinc/59/83/34/346598334.db2.gz KDEFTBPSBGOPRO-SMDDNHRTSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000403812734 346598335 /nfs/dbraw/zinc/59/83/35/346598335.db2.gz KDEFTBPSBGOPRO-SMDDNHRTSA-N 1 2 278.783 3.211 20 30 CGEDLO Cc1cc(N2CCc3ccccc3[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000404773368 346600871 /nfs/dbraw/zinc/60/08/71/346600871.db2.gz COGNBFJEKNIMFR-ZDUSSCGKSA-N 1 2 277.371 3.428 20 30 CGEDLO C=CCCc1ccccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000584791063 346715248 /nfs/dbraw/zinc/71/52/48/346715248.db2.gz YIFHIPIIFDTJSL-UHFFFAOYSA-N 1 2 272.392 3.086 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000588301790 346759147 /nfs/dbraw/zinc/75/91/47/346759147.db2.gz QGYWWBMCALXTRD-GFCCVEGCSA-N 1 2 294.358 3.453 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000589384574 346796335 /nfs/dbraw/zinc/79/63/35/346796335.db2.gz TWFYEIKUQAESPJ-UHFFFAOYSA-N 1 2 299.374 3.257 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000595611303 347326182 /nfs/dbraw/zinc/32/61/82/347326182.db2.gz IZYGSWLFQREWMK-CYBMUJFWSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000595611303 347326184 /nfs/dbraw/zinc/32/61/84/347326184.db2.gz IZYGSWLFQREWMK-CYBMUJFWSA-N 1 2 298.415 3.331 20 30 CGEDLO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595623896 347329327 /nfs/dbraw/zinc/32/93/27/347329327.db2.gz XXPFWGFSQMSSHZ-GFCCVEGCSA-N 1 2 261.369 3.098 20 30 CGEDLO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595623896 347329328 /nfs/dbraw/zinc/32/93/28/347329328.db2.gz XXPFWGFSQMSSHZ-GFCCVEGCSA-N 1 2 261.369 3.098 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595760678 347352534 /nfs/dbraw/zinc/35/25/34/347352534.db2.gz VFPFWHOAIYTRFE-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595760678 347352536 /nfs/dbraw/zinc/35/25/36/347352536.db2.gz VFPFWHOAIYTRFE-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CO[C@@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)C1CCCC1 ZINC000595467004 347307682 /nfs/dbraw/zinc/30/76/82/347307682.db2.gz VGHCYKKSZGHPBH-GJZGRUSLSA-N 1 2 264.413 3.206 20 30 CGEDLO CO[C@@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)C1CCCC1 ZINC000595467004 347307684 /nfs/dbraw/zinc/30/76/84/347307684.db2.gz VGHCYKKSZGHPBH-GJZGRUSLSA-N 1 2 264.413 3.206 20 30 CGEDLO C[N@H+](CCCC(C)(C)C#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595522630 347315095 /nfs/dbraw/zinc/31/50/95/347315095.db2.gz DFPXVDOLZMBYNT-HNNXBMFYSA-N 1 2 297.406 3.156 20 30 CGEDLO C[N@@H+](CCCC(C)(C)C#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595522630 347315097 /nfs/dbraw/zinc/31/50/97/347315097.db2.gz DFPXVDOLZMBYNT-HNNXBMFYSA-N 1 2 297.406 3.156 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842858 347366607 /nfs/dbraw/zinc/36/66/07/347366607.db2.gz HUJCISMVNQHTCK-IUODEOHRSA-N 1 2 273.336 3.200 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842858 347366608 /nfs/dbraw/zinc/36/66/08/347366608.db2.gz HUJCISMVNQHTCK-IUODEOHRSA-N 1 2 273.336 3.200 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000595844804 347367120 /nfs/dbraw/zinc/36/71/20/347367120.db2.gz VWZBDNBNMBVPOS-AWEZNQCLSA-N 1 2 250.292 3.360 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000595844804 347367122 /nfs/dbraw/zinc/36/71/22/347367122.db2.gz VWZBDNBNMBVPOS-AWEZNQCLSA-N 1 2 250.292 3.360 20 30 CGEDLO CC[N@H+](CC#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866312 347369133 /nfs/dbraw/zinc/36/91/33/347369133.db2.gz JYJDRRBQABCHPW-LLVKDONJSA-N 1 2 270.298 3.482 20 30 CGEDLO CC[N@@H+](CC#N)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866312 347369136 /nfs/dbraw/zinc/36/91/36/347369136.db2.gz JYJDRRBQABCHPW-LLVKDONJSA-N 1 2 270.298 3.482 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909754 347371833 /nfs/dbraw/zinc/37/18/33/347371833.db2.gz NIDQWSUUOITMPZ-OKZBNKHCSA-N 1 2 282.387 3.144 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909754 347371834 /nfs/dbraw/zinc/37/18/34/347371834.db2.gz NIDQWSUUOITMPZ-OKZBNKHCSA-N 1 2 282.387 3.144 20 30 CGEDLO Clc1ccccc1C#CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351023817 282536718 /nfs/dbraw/zinc/53/67/18/282536718.db2.gz BIKBNYCEECXARS-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597172658 347543506 /nfs/dbraw/zinc/54/35/06/347543506.db2.gz CSIXUPPLZWGWKY-CQSZACIVSA-N 1 2 280.375 3.202 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597172658 347543508 /nfs/dbraw/zinc/54/35/08/347543508.db2.gz CSIXUPPLZWGWKY-CQSZACIVSA-N 1 2 280.375 3.202 20 30 CGEDLO CCCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OC ZINC000597228709 347557302 /nfs/dbraw/zinc/55/73/02/347557302.db2.gz GGDWAYNSEUGUPB-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO CCCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OC ZINC000597228709 347557303 /nfs/dbraw/zinc/55/73/03/347557303.db2.gz GGDWAYNSEUGUPB-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000597230397 347558808 /nfs/dbraw/zinc/55/88/08/347558808.db2.gz RSIXHXKUIHCVCG-KRWDZBQOSA-N 1 2 283.375 3.105 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000597230397 347558813 /nfs/dbraw/zinc/55/88/13/347558813.db2.gz RSIXHXKUIHCVCG-KRWDZBQOSA-N 1 2 283.375 3.105 20 30 CGEDLO Cc1cn2ccc(NC(=O)C3(C#N)CCCCC3)cc2[nH+]1 ZINC000598469751 347661442 /nfs/dbraw/zinc/66/14/42/347661442.db2.gz QWHCTIBFLBKXJT-UHFFFAOYSA-N 1 2 282.347 3.055 20 30 CGEDLO N#Cc1c(F)cccc1-c1ccc(N2CCSCC2)[nH+]c1 ZINC000600788957 347836410 /nfs/dbraw/zinc/83/64/10/347836410.db2.gz DDOXZVDAGONSRG-UHFFFAOYSA-N 1 2 299.374 3.313 20 30 CGEDLO CCCOc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cn1 ZINC000602000628 347931789 /nfs/dbraw/zinc/93/17/89/347931789.db2.gz IVNIIWCCTWFWAS-UHFFFAOYSA-N 1 2 299.349 3.171 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000602481221 347966064 /nfs/dbraw/zinc/96/60/64/347966064.db2.gz BRCKPEVCSVTCBA-JTQLQIEISA-N 1 2 265.307 3.143 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000602481221 347966067 /nfs/dbraw/zinc/96/60/67/347966067.db2.gz BRCKPEVCSVTCBA-JTQLQIEISA-N 1 2 265.307 3.143 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000602610654 347993349 /nfs/dbraw/zinc/99/33/49/347993349.db2.gz ICQXKGIRRWKQSZ-NSHDSACASA-N 1 2 282.771 3.139 20 30 CGEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2ccsc2)O1 ZINC000602787836 348029604 /nfs/dbraw/zinc/02/96/04/348029604.db2.gz KLKKIOBPMYQIFV-TZMCWYRMSA-N 1 2 276.405 3.204 20 30 CGEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2ccsc2)O1 ZINC000602787836 348029606 /nfs/dbraw/zinc/02/96/06/348029606.db2.gz KLKKIOBPMYQIFV-TZMCWYRMSA-N 1 2 276.405 3.204 20 30 CGEDLO N#CCC1(CN2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000602762116 348024800 /nfs/dbraw/zinc/02/48/00/348024800.db2.gz IHIGNKPYEIISCB-QPJJXVBHSA-N 1 2 295.430 3.011 20 30 CGEDLO C[C@H](CC#N)[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000602863298 348038496 /nfs/dbraw/zinc/03/84/96/348038496.db2.gz OLURFMAPOMOCAY-OAHLLOKOSA-N 1 2 299.418 3.244 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980114 348049965 /nfs/dbraw/zinc/04/99/65/348049965.db2.gz LZRVAOOMKHKMQU-FZMZJTMJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980114 348049967 /nfs/dbraw/zinc/04/99/67/348049967.db2.gz LZRVAOOMKHKMQU-FZMZJTMJSA-N 1 2 278.783 3.473 20 30 CGEDLO CN(Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979308 348050265 /nfs/dbraw/zinc/05/02/65/348050265.db2.gz BUOAJARRQXIEFW-WMZOPIPTSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@H+](Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[C@H]1C#N ZINC000602981309 348051163 /nfs/dbraw/zinc/05/11/63/348051163.db2.gz BDRDAAFALXLBMT-YJBOKZPZSA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[C@H]1C#N ZINC000602981309 348051166 /nfs/dbraw/zinc/05/11/66/348051166.db2.gz BDRDAAFALXLBMT-YJBOKZPZSA-N 1 2 292.386 3.268 20 30 CGEDLO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1Cl ZINC000602981945 348051336 /nfs/dbraw/zinc/05/13/36/348051336.db2.gz LRAOVSGIZGWEPZ-DGCLKSJQSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1Cl ZINC000602981945 348051339 /nfs/dbraw/zinc/05/13/39/348051339.db2.gz LRAOVSGIZGWEPZ-DGCLKSJQSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[C@H]1C#N ZINC000602981521 348051596 /nfs/dbraw/zinc/05/15/96/348051596.db2.gz FNDDYOKLWVIFCD-DOTOQJQBSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[C@H]1C#N ZINC000602981521 348051597 /nfs/dbraw/zinc/05/15/97/348051597.db2.gz FNDDYOKLWVIFCD-DOTOQJQBSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602982598 348052375 /nfs/dbraw/zinc/05/23/75/348052375.db2.gz VDFRNDDLCQCEGM-ZYHUDNBSSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602982598 348052380 /nfs/dbraw/zinc/05/23/80/348052380.db2.gz VDFRNDDLCQCEGM-ZYHUDNBSSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@H+](Cc1ccccc1OC1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602982312 348052618 /nfs/dbraw/zinc/05/26/18/348052618.db2.gz QNNJMTPBDPQHHI-CJNGLKHVSA-N 1 2 270.376 3.352 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602982312 348052619 /nfs/dbraw/zinc/05/26/19/348052619.db2.gz QNNJMTPBDPQHHI-CJNGLKHVSA-N 1 2 270.376 3.352 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@@H](C)C#N ZINC000604410538 348119626 /nfs/dbraw/zinc/11/96/26/348119626.db2.gz URNJDBPCVMXTER-ZDUSSCGKSA-N 1 2 299.374 3.332 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@@H](C)C#N ZINC000604410538 348119627 /nfs/dbraw/zinc/11/96/27/348119627.db2.gz URNJDBPCVMXTER-ZDUSSCGKSA-N 1 2 299.374 3.332 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc1 ZINC000604484732 348121532 /nfs/dbraw/zinc/12/15/32/348121532.db2.gz LLWJZNXYYHXJHY-UHFFFAOYSA-N 1 2 288.310 3.201 20 30 CGEDLO CC#CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000607734842 348259122 /nfs/dbraw/zinc/25/91/22/348259122.db2.gz DZGDEDGSBOTVKR-AWEZNQCLSA-N 1 2 265.809 3.453 20 30 CGEDLO CC#CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000607734842 348259123 /nfs/dbraw/zinc/25/91/23/348259123.db2.gz DZGDEDGSBOTVKR-AWEZNQCLSA-N 1 2 265.809 3.453 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610786970 348403331 /nfs/dbraw/zinc/40/33/31/348403331.db2.gz VVTDAWCVVNNUMS-NSHDSACASA-N 1 2 297.314 3.023 20 30 CGEDLO C=CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CC1 ZINC000611349556 348440029 /nfs/dbraw/zinc/44/00/29/348440029.db2.gz SUNVWQDTGBOLAL-UHFFFAOYSA-N 1 2 292.386 3.203 20 30 CGEDLO C=CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CC1 ZINC000611349556 348440031 /nfs/dbraw/zinc/44/00/31/348440031.db2.gz SUNVWQDTGBOLAL-UHFFFAOYSA-N 1 2 292.386 3.203 20 30 CGEDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(CCC#N)CC1 ZINC000611176065 348426038 /nfs/dbraw/zinc/42/60/38/348426038.db2.gz SLDVHPQCUOYOBK-LBPRGKRZSA-N 1 2 295.789 3.071 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(C#N)c1 ZINC000611388073 348443552 /nfs/dbraw/zinc/44/35/52/348443552.db2.gz WKCUCMAVUPSLQX-LLVKDONJSA-N 1 2 294.314 3.052 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000611518868 348458344 /nfs/dbraw/zinc/45/83/44/348458344.db2.gz BDUUDNBZJAIIPM-QWRGUYRKSA-N 1 2 254.337 3.002 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000612163595 348498352 /nfs/dbraw/zinc/49/83/52/348498352.db2.gz SHWCNVFVHOXJBO-INIZCTEOSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000612163595 348498354 /nfs/dbraw/zinc/49/83/54/348498354.db2.gz SHWCNVFVHOXJBO-INIZCTEOSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000612167031 348499008 /nfs/dbraw/zinc/49/90/08/348499008.db2.gz ZQTHAJIPYKKSPB-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000612167031 348499011 /nfs/dbraw/zinc/49/90/11/348499011.db2.gz ZQTHAJIPYKKSPB-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000612406845 348517513 /nfs/dbraw/zinc/51/75/13/348517513.db2.gz VMGYRMJWSFZZSW-HNNXBMFYSA-N 1 2 277.437 3.467 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000612406845 348517516 /nfs/dbraw/zinc/51/75/16/348517516.db2.gz VMGYRMJWSFZZSW-HNNXBMFYSA-N 1 2 277.437 3.467 20 30 CGEDLO CCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000614168061 348654175 /nfs/dbraw/zinc/65/41/75/348654175.db2.gz OEWZJEOBYDHITE-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000614168061 348654176 /nfs/dbraw/zinc/65/41/76/348654176.db2.gz OEWZJEOBYDHITE-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000617786342 349012709 /nfs/dbraw/zinc/01/27/09/349012709.db2.gz XOCWNJQVQJAYNX-OAHLLOKOSA-N 1 2 295.386 3.301 20 30 CGEDLO CC(C)[C@H](C[N@@H+]1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000619430609 349248522 /nfs/dbraw/zinc/24/85/22/349248522.db2.gz HLSMIXFYOCOMSY-JKSUJKDBSA-N 1 2 260.356 3.364 20 30 CGEDLO CC(C)[C@H](C[N@H+]1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000619430609 349248525 /nfs/dbraw/zinc/24/85/25/349248525.db2.gz HLSMIXFYOCOMSY-JKSUJKDBSA-N 1 2 260.356 3.364 20 30 CGEDLO C=C[C@@H]([NH2+]CC1(c2ccc(C)c(C)c2)CCC1)C(=O)OC ZINC000619704507 349277026 /nfs/dbraw/zinc/27/70/26/349277026.db2.gz OIOIILVVNAAERX-MRXNPFEDSA-N 1 2 287.403 3.042 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000619719626 349277839 /nfs/dbraw/zinc/27/78/39/349277839.db2.gz PURQYUGKCDLBSQ-OAHLLOKOSA-N 1 2 291.778 3.157 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000619719626 349277843 /nfs/dbraw/zinc/27/78/43/349277843.db2.gz PURQYUGKCDLBSQ-OAHLLOKOSA-N 1 2 291.778 3.157 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1cccc2ccccc21 ZINC000619717294 349278092 /nfs/dbraw/zinc/27/80/92/349278092.db2.gz WZHIYWBEAMPTGY-QGZVFWFLSA-N 1 2 283.371 3.042 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1cccc2ccccc21 ZINC000619717294 349278096 /nfs/dbraw/zinc/27/80/96/349278096.db2.gz WZHIYWBEAMPTGY-QGZVFWFLSA-N 1 2 283.371 3.042 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625534860 350182043 /nfs/dbraw/zinc/18/20/43/350182043.db2.gz GTPSBKAEXXNORB-LBPRGKRZSA-N 1 2 261.369 3.125 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625534860 350182047 /nfs/dbraw/zinc/18/20/47/350182047.db2.gz GTPSBKAEXXNORB-LBPRGKRZSA-N 1 2 261.369 3.125 20 30 CGEDLO C=CCN(Cc1cccs1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628121827 350401950 /nfs/dbraw/zinc/40/19/50/350401950.db2.gz XUFFXJRFSUJJQW-UHFFFAOYSA-N 1 2 261.394 3.276 20 30 CGEDLO C=CC(C)(C)CCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000628313442 350494773 /nfs/dbraw/zinc/49/47/73/350494773.db2.gz PDGFSHXMJSWXAF-UHFFFAOYSA-N 1 2 285.391 3.214 20 30 CGEDLO C=CC(C)(C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000628317311 350497747 /nfs/dbraw/zinc/49/77/47/350497747.db2.gz DRJWJTCMXZVIPI-UHFFFAOYSA-N 1 2 283.375 3.204 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)Cc2[nH]cc(CC)[nH+]2)c1 ZINC000635483286 351662650 /nfs/dbraw/zinc/66/26/50/351662650.db2.gz TWLWCVDSZYUGHA-UHFFFAOYSA-N 1 2 299.374 3.108 20 30 CGEDLO C=CCC(C)(C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635959456 351706235 /nfs/dbraw/zinc/70/62/35/351706235.db2.gz HQJZVEJKIOWLRY-CQSZACIVSA-N 1 2 277.412 3.189 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000635716992 351685584 /nfs/dbraw/zinc/68/55/84/351685584.db2.gz JMSMGDWFOHJSJA-OAGGEKHMSA-N 1 2 295.386 3.337 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000635716992 351685588 /nfs/dbraw/zinc/68/55/88/351685588.db2.gz JMSMGDWFOHJSJA-OAGGEKHMSA-N 1 2 295.386 3.337 20 30 CGEDLO Cc1nsc(N2CCC(c3ccc(C)[nH+]c3)CC2)c1C#N ZINC000367837369 234254359 /nfs/dbraw/zinc/25/43/59/234254359.db2.gz WXDHNKWIKDKYBJ-UHFFFAOYSA-N 1 2 298.415 3.411 20 30 CGEDLO Cc1ccoc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000336434646 213297489 /nfs/dbraw/zinc/29/74/89/213297489.db2.gz ITUHDMFDDHUHKJ-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccoc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000336434646 213297491 /nfs/dbraw/zinc/29/74/91/213297491.db2.gz ITUHDMFDDHUHKJ-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)cc1[N+](=O)[O-] ZINC000413311242 235267367 /nfs/dbraw/zinc/26/73/67/235267367.db2.gz DRQFSEUTAQGKGY-MFKMUULPSA-N 1 2 297.318 3.089 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC000281679014 283139471 /nfs/dbraw/zinc/13/94/71/283139471.db2.gz QQCPBJVKORDBPB-UHFFFAOYSA-N 1 2 277.165 3.043 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000281679014 283139476 /nfs/dbraw/zinc/13/94/76/283139476.db2.gz QQCPBJVKORDBPB-UHFFFAOYSA-N 1 2 277.165 3.043 20 30 CGEDLO Cc1ccc(C#N)c(NCCCc2[nH+]cccc2C)n1 ZINC000294862585 199219173 /nfs/dbraw/zinc/21/91/73/199219173.db2.gz AHOFZOYOIAOXTH-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO N#Cc1cccc(C#N)c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000436381416 237092776 /nfs/dbraw/zinc/09/27/76/237092776.db2.gz AHZQYEDZAYVEAC-UHFFFAOYSA-N 1 2 299.337 3.228 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CC2)c(F)c1 ZINC000180856598 189279745 /nfs/dbraw/zinc/27/97/45/189279745.db2.gz PZQVRIPXILIUCP-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)c(F)c1 ZINC000180856598 189279746 /nfs/dbraw/zinc/27/97/46/189279746.db2.gz PZQVRIPXILIUCP-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO COc1cc(C#N)ccc1C[NH+]1Cc2ccccc2C1 ZINC000120893697 370810569 /nfs/dbraw/zinc/81/05/69/370810569.db2.gz SCJMXRLDKOUHKS-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO Cc1cc(NCc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000037749635 369104420 /nfs/dbraw/zinc/10/44/20/369104420.db2.gz LYVRHEBHWLDPNU-UHFFFAOYSA-N 1 2 266.348 3.392 20 30 CGEDLO CCOc1cc(C[N@H+](CC)CCC#N)cc(Cl)c1OC ZINC000127583923 370954842 /nfs/dbraw/zinc/95/48/42/370954842.db2.gz CXVCUVGCHFRMGR-UHFFFAOYSA-N 1 2 296.798 3.483 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)CCC#N)cc(Cl)c1OC ZINC000127583923 370954846 /nfs/dbraw/zinc/95/48/46/370954846.db2.gz CXVCUVGCHFRMGR-UHFFFAOYSA-N 1 2 296.798 3.483 20 30 CGEDLO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072802826 369839617 /nfs/dbraw/zinc/83/96/17/369839617.db2.gz VSWSDRRCHKBCFE-OAHLLOKOSA-N 1 2 291.420 3.070 20 30 CGEDLO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072802826 369839623 /nfs/dbraw/zinc/83/96/23/369839623.db2.gz VSWSDRRCHKBCFE-OAHLLOKOSA-N 1 2 291.420 3.070 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893342 370078489 /nfs/dbraw/zinc/07/84/89/370078489.db2.gz NZRBAMMCYLCDFJ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893342 370078494 /nfs/dbraw/zinc/07/84/94/370078494.db2.gz NZRBAMMCYLCDFJ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000109812925 370366318 /nfs/dbraw/zinc/36/63/18/370366318.db2.gz VLVGXBHEQGPENZ-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000109812925 370366323 /nfs/dbraw/zinc/36/63/23/370366323.db2.gz VLVGXBHEQGPENZ-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO C=C(C)CSC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289335724 371755157 /nfs/dbraw/zinc/75/51/57/371755157.db2.gz DJLFMWINYFYXDJ-AWEZNQCLSA-N 1 2 290.432 3.323 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000156061325 371960821 /nfs/dbraw/zinc/96/08/21/371960821.db2.gz NFPCXTWTAVCHPM-IBGZPJMESA-N 1 2 295.357 3.251 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000156061325 371960832 /nfs/dbraw/zinc/96/08/32/371960832.db2.gz NFPCXTWTAVCHPM-IBGZPJMESA-N 1 2 295.357 3.251 20 30 CGEDLO C=CCC(C)(C)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000291983189 372178726 /nfs/dbraw/zinc/17/87/26/372178726.db2.gz VRHKESGZTWHDKI-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ncn1 ZINC000428257222 372185538 /nfs/dbraw/zinc/18/55/38/372185538.db2.gz SFGABIZNRYTKOZ-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ncn1 ZINC000428257222 372185544 /nfs/dbraw/zinc/18/55/44/372185544.db2.gz SFGABIZNRYTKOZ-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCOc1ccc(C)c(C)c1 ZINC000428839002 372267424 /nfs/dbraw/zinc/26/74/24/372267424.db2.gz IOLGJIGVLCBOSO-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCOc1ccc(C)c(C)c1 ZINC000428839002 372267427 /nfs/dbraw/zinc/26/74/27/372267427.db2.gz IOLGJIGVLCBOSO-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000292998388 372272432 /nfs/dbraw/zinc/27/24/32/372272432.db2.gz CQKVKCVALGMNER-UHFFFAOYSA-N 1 2 282.265 3.302 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000292998388 372272438 /nfs/dbraw/zinc/27/24/38/372272438.db2.gz CQKVKCVALGMNER-UHFFFAOYSA-N 1 2 282.265 3.302 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc2O1 ZINC000429136770 372316730 /nfs/dbraw/zinc/31/67/30/372316730.db2.gz QXZQQMSHUCRCRT-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc2O1 ZINC000429136770 372316735 /nfs/dbraw/zinc/31/67/35/372316735.db2.gz QXZQQMSHUCRCRT-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc2O1 ZINC000429183789 372319271 /nfs/dbraw/zinc/31/92/71/372319271.db2.gz RTXXARBVJFIFQK-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc2O1 ZINC000429183789 372319279 /nfs/dbraw/zinc/31/92/79/372319279.db2.gz RTXXARBVJFIFQK-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C=CCN(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000161467720 372327454 /nfs/dbraw/zinc/32/74/54/372327454.db2.gz ODYKJZNRRLSHSE-UHFFFAOYSA-N 1 2 282.343 3.440 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000429374917 372358068 /nfs/dbraw/zinc/35/80/68/372358068.db2.gz XKXZIXOICOHQGJ-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000429374917 372358074 /nfs/dbraw/zinc/35/80/74/372358074.db2.gz XKXZIXOICOHQGJ-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C#N)cc1 ZINC000162233739 372381999 /nfs/dbraw/zinc/38/19/99/372381999.db2.gz YTWLGPXQHLXUGT-UHFFFAOYSA-N 1 2 292.342 3.248 20 30 CGEDLO C=CCC(C)(C)CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000432130166 372538696 /nfs/dbraw/zinc/53/86/96/372538696.db2.gz PZFOUVBAIGONGW-UHFFFAOYSA-N 1 2 292.452 3.044 20 30 CGEDLO C=CCC(C)(C)CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000432130166 372538704 /nfs/dbraw/zinc/53/87/04/372538704.db2.gz PZFOUVBAIGONGW-UHFFFAOYSA-N 1 2 292.452 3.044 20 30 CGEDLO COc1cc2c(cc1F)[nH+]ccc2N(C)CC(C)(C)C#N ZINC000432146988 372539577 /nfs/dbraw/zinc/53/95/77/372539577.db2.gz DOJJITWCKCBILZ-UHFFFAOYSA-N 1 2 287.338 3.368 20 30 CGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000344704025 217281359 /nfs/dbraw/zinc/28/13/59/217281359.db2.gz NKMFNCGKWTXQSC-LLVKDONJSA-N 1 2 287.388 3.012 20 30 CGEDLO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C#N)cc3F)nc2c1 ZINC000344731106 217292218 /nfs/dbraw/zinc/29/22/18/217292218.db2.gz PMZGYMVXHFXQIU-UHFFFAOYSA-N 1 2 294.333 3.172 20 30 CGEDLO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)cc3F)[nH]c2c1 ZINC000344731106 217292221 /nfs/dbraw/zinc/29/22/21/217292221.db2.gz PMZGYMVXHFXQIU-UHFFFAOYSA-N 1 2 294.333 3.172 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)o1 ZINC000298004538 373289107 /nfs/dbraw/zinc/28/91/07/373289107.db2.gz YGWBEIWEKASUGY-LBPRGKRZSA-N 1 2 257.337 3.127 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)o1 ZINC000298004538 373289116 /nfs/dbraw/zinc/28/91/16/373289116.db2.gz YGWBEIWEKASUGY-LBPRGKRZSA-N 1 2 257.337 3.127 20 30 CGEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000301133487 373672246 /nfs/dbraw/zinc/67/22/46/373672246.db2.gz YNDLLUVIVQOPLX-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#Cc1nccnc1Nc1ccc(Nc2ccccc2)[nH+]c1 ZINC000301174482 373683492 /nfs/dbraw/zinc/68/34/92/373683492.db2.gz KWGZYRVDMJOKPX-UHFFFAOYSA-N 1 2 288.314 3.230 20 30 CGEDLO Cc1c(C#N)cccc1NCc1cn2ccccc2[nH+]1 ZINC000179058651 373833464 /nfs/dbraw/zinc/83/34/64/373833464.db2.gz OZZZBAQGBPTPRN-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000178622217 373799785 /nfs/dbraw/zinc/79/97/85/373799785.db2.gz BTAKOCMDLGSZOM-UHFFFAOYSA-N 1 2 298.317 3.217 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000178622217 373799789 /nfs/dbraw/zinc/79/97/89/373799789.db2.gz BTAKOCMDLGSZOM-UHFFFAOYSA-N 1 2 298.317 3.217 20 30 CGEDLO C=CCC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1 ZINC000450134381 373989983 /nfs/dbraw/zinc/98/99/83/373989983.db2.gz JJXDBEOAUFIOSW-UHFFFAOYSA-N 1 2 283.375 3.087 20 30 CGEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CC1(C#N)CCC1 ZINC000450643252 374167713 /nfs/dbraw/zinc/16/77/13/374167713.db2.gz QUPLZSGGGJBZFE-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CC1(C#N)CCC1 ZINC000450643252 374167717 /nfs/dbraw/zinc/16/77/17/374167717.db2.gz QUPLZSGGGJBZFE-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@]23CCOC3)[nH+]1 ZINC000329754848 374426809 /nfs/dbraw/zinc/42/68/09/374426809.db2.gz XOSWZZVUSWOCCR-DYVFJYSZSA-N 1 2 297.358 3.400 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000185337034 374640740 /nfs/dbraw/zinc/64/07/40/374640740.db2.gz OAUZGXXJKSIYBQ-GFCCVEGCSA-N 1 2 290.407 3.268 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185722596 374722519 /nfs/dbraw/zinc/72/25/19/374722519.db2.gz TVWBCTIAPTYFTI-HZPDHXFCSA-N 1 2 299.418 3.326 20 30 CGEDLO COc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000185721894 374722909 /nfs/dbraw/zinc/72/29/09/374722909.db2.gz IIHSWLDVYHQXDW-NEPJUHHUSA-N 1 2 260.337 3.198 20 30 CGEDLO CCCCOc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000468397777 374981156 /nfs/dbraw/zinc/98/11/56/374981156.db2.gz QDUKRIJGBYMMLI-CQSZACIVSA-N 1 2 260.381 3.457 20 30 CGEDLO CCCCOc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000468397777 374981162 /nfs/dbraw/zinc/98/11/62/374981162.db2.gz QDUKRIJGBYMMLI-CQSZACIVSA-N 1 2 260.381 3.457 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C2CC2)O1 ZINC000470921610 375001741 /nfs/dbraw/zinc/00/17/41/375001741.db2.gz ZRZLVXYIZXSARD-CXAGYDPISA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C2CC2)O1 ZINC000470921610 375001743 /nfs/dbraw/zinc/00/17/43/375001743.db2.gz ZRZLVXYIZXSARD-CXAGYDPISA-N 1 2 289.806 3.191 20 30 CGEDLO COC(=O)[C@@H]([NH2+]CC(C)(C)C(C)C)c1cccc(C#N)c1 ZINC000187463225 375026594 /nfs/dbraw/zinc/02/65/94/375026594.db2.gz HSTITKRXZFWMDB-HNNXBMFYSA-N 1 2 288.391 3.044 20 30 CGEDLO CC(C)[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000481351800 375164018 /nfs/dbraw/zinc/16/40/18/375164018.db2.gz RZLSNJYGXHPLQH-MRXNPFEDSA-N 1 2 277.795 3.048 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000481351800 375164022 /nfs/dbraw/zinc/16/40/22/375164022.db2.gz RZLSNJYGXHPLQH-MRXNPFEDSA-N 1 2 277.795 3.048 20 30 CGEDLO Fc1ccc2c(c1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000484054360 375185362 /nfs/dbraw/zinc/18/53/62/375185362.db2.gz DVLKMNFSRPVPON-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO Fc1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000484054360 375185365 /nfs/dbraw/zinc/18/53/65/375185365.db2.gz DVLKMNFSRPVPON-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)n1 ZINC000335173663 375198993 /nfs/dbraw/zinc/19/89/93/375198993.db2.gz ZYQKEYAYXGGZEK-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)n1 ZINC000335173663 375198995 /nfs/dbraw/zinc/19/89/95/375198995.db2.gz ZYQKEYAYXGGZEK-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)cc1F)CCC2 ZINC000335810994 375450082 /nfs/dbraw/zinc/45/00/82/375450082.db2.gz DUOKLKSISXCPFK-CYBMUJFWSA-N 1 2 284.338 3.192 20 30 CGEDLO C=CCC1(CNC(=O)/C=C/c2[nH+]ccn2CC)CCCC1 ZINC000493636632 375476681 /nfs/dbraw/zinc/47/66/81/375476681.db2.gz YPEQADHAROLCKM-BQYQJAHWSA-N 1 2 287.407 3.169 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000574628705 335034699 /nfs/dbraw/zinc/03/46/99/335034699.db2.gz WREGJDNNYPCROO-GJZGRUSLSA-N 1 2 296.374 3.066 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000500838688 375637595 /nfs/dbraw/zinc/63/75/95/375637595.db2.gz ZUSUJFLTGWSDQM-DZGCQCFKSA-N 1 2 261.365 3.153 20 30 CGEDLO CCc1ccc([C@H](COC)[NH2+]CC#Cc2ccccc2)o1 ZINC000192177451 375708664 /nfs/dbraw/zinc/70/86/64/375708664.db2.gz SDQUVOIMLPOLFA-KRWDZBQOSA-N 1 2 283.371 3.171 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192475552 375754046 /nfs/dbraw/zinc/75/40/46/375754046.db2.gz RALCRXAOTCKSPZ-UHFFFAOYSA-N 1 2 281.758 3.473 20 30 CGEDLO N#Cc1ccccc1OCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000192831223 375792254 /nfs/dbraw/zinc/79/22/54/375792254.db2.gz IXBRACJHLGUNDG-UHFFFAOYSA-N 1 2 299.280 3.265 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000336546360 375821900 /nfs/dbraw/zinc/82/19/00/375821900.db2.gz UPIQEWHLHNXCNM-UHFFFAOYSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cccnc1C(F)(F)F)C1CC1 ZINC000528424166 375902299 /nfs/dbraw/zinc/90/22/99/375902299.db2.gz XTLSHKKBVVUMJY-SNVBAGLBSA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cccnc1C(F)(F)F)C1CC1 ZINC000528424166 375902305 /nfs/dbraw/zinc/90/23/05/375902305.db2.gz XTLSHKKBVVUMJY-SNVBAGLBSA-N 1 2 283.297 3.224 20 30 CGEDLO C=C(C)C[N@@H+]([C@@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000532714374 375952297 /nfs/dbraw/zinc/95/22/97/375952297.db2.gz IQAUZFXMTSBQFV-KRWDZBQOSA-N 1 2 287.403 3.201 20 30 CGEDLO C=C(C)C[N@H+]([C@@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000532714374 375952302 /nfs/dbraw/zinc/95/23/02/375952302.db2.gz IQAUZFXMTSBQFV-KRWDZBQOSA-N 1 2 287.403 3.201 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000336814316 375967855 /nfs/dbraw/zinc/96/78/55/375967855.db2.gz FIMHKPJCZYTXAQ-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000336814316 375967858 /nfs/dbraw/zinc/96/78/58/375967858.db2.gz FIMHKPJCZYTXAQ-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO CC(C)n1nccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000337138564 376094818 /nfs/dbraw/zinc/09/48/18/376094818.db2.gz QSDXRWDUNVVJFQ-UHFFFAOYSA-N 1 2 286.354 3.107 20 30 CGEDLO CC(C)n1nccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000337138564 376094827 /nfs/dbraw/zinc/09/48/27/376094827.db2.gz QSDXRWDUNVVJFQ-UHFFFAOYSA-N 1 2 286.354 3.107 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000337616618 376232649 /nfs/dbraw/zinc/23/26/49/376232649.db2.gz YSKZCOHUNSFQSI-UHFFFAOYSA-N 1 2 298.390 3.203 20 30 CGEDLO CC(C)(C#N)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338188119 376277737 /nfs/dbraw/zinc/27/77/37/376277737.db2.gz YDPPTCZOHLLWPG-UHFFFAOYSA-N 1 2 295.342 3.153 20 30 CGEDLO C=C(C)CN(C)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000339366154 376748408 /nfs/dbraw/zinc/74/84/08/376748408.db2.gz XXXDKYLFZDSPIV-UHFFFAOYSA-N 1 2 294.826 3.196 20 30 CGEDLO C=C(C)CN(C)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000339366154 376748416 /nfs/dbraw/zinc/74/84/16/376748416.db2.gz XXXDKYLFZDSPIV-UHFFFAOYSA-N 1 2 294.826 3.196 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)OCC ZINC000339424752 376752665 /nfs/dbraw/zinc/75/26/65/376752665.db2.gz VGQRJRASXKUHNY-INIZCTEOSA-N 1 2 299.374 3.182 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000556858873 376889611 /nfs/dbraw/zinc/88/96/11/376889611.db2.gz LREFGLAEOUXXKY-SMDDNHRTSA-N 1 2 289.766 3.197 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1cccc(F)c1C#N ZINC000559221794 377071950 /nfs/dbraw/zinc/07/19/50/377071950.db2.gz UNGNPJYAUBEIKV-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cccc(F)c1C#N ZINC000559221794 377071956 /nfs/dbraw/zinc/07/19/56/377071956.db2.gz UNGNPJYAUBEIKV-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1F ZINC000340763447 377247424 /nfs/dbraw/zinc/24/74/24/377247424.db2.gz KTBKFGGBJRHUBI-QGZVFWFLSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1F ZINC000340763447 377247434 /nfs/dbraw/zinc/24/74/34/377247434.db2.gz KTBKFGGBJRHUBI-QGZVFWFLSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000562068287 377274209 /nfs/dbraw/zinc/27/42/09/377274209.db2.gz QITZYQWIVXTCNP-SKDRFNHKSA-N 1 2 273.361 3.021 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000248234784 377281948 /nfs/dbraw/zinc/28/19/48/377281948.db2.gz MCRURTTUJJSPCT-UHFFFAOYSA-N 1 2 287.363 3.143 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000248234784 377281958 /nfs/dbraw/zinc/28/19/58/377281958.db2.gz MCRURTTUJJSPCT-UHFFFAOYSA-N 1 2 287.363 3.143 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)CCC(C)C)ccn12 ZINC000568291897 377517686 /nfs/dbraw/zinc/51/76/86/377517686.db2.gz XPYRUDNEYIEDAV-UHFFFAOYSA-N 1 2 298.390 3.045 20 30 CGEDLO C=CC[C@@H]1N(C(=O)C[C@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC000568633774 377521897 /nfs/dbraw/zinc/52/18/97/377521897.db2.gz LZNBXDVTHSAMMR-GJZGRUSLSA-N 1 2 289.423 3.428 20 30 CGEDLO C=C[C@H](CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1)c1ccccc1 ZINC000570169341 377535145 /nfs/dbraw/zinc/53/51/45/377535145.db2.gz ZJPAOHGHNNDCML-CQSZACIVSA-N 1 2 297.402 3.429 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)cc3[N+](=O)[O-])ccc21 ZINC000342769634 377779037 /nfs/dbraw/zinc/77/90/37/377779037.db2.gz CVZURGHOQWDAFE-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)CC1(C#N)CC1 ZINC000343155555 377915471 /nfs/dbraw/zinc/91/54/71/377915471.db2.gz GUVWXYBDQRKARG-UHFFFAOYSA-N 1 2 268.282 3.441 20 30 CGEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC1(C#N)CC1 ZINC000343155555 377915475 /nfs/dbraw/zinc/91/54/75/377915475.db2.gz GUVWXYBDQRKARG-UHFFFAOYSA-N 1 2 268.282 3.441 20 30 CGEDLO CCC[N@@H+](Cc1ccc(OCC#N)cc1)CC(F)F ZINC000264587255 377989695 /nfs/dbraw/zinc/98/96/95/377989695.db2.gz XPSREOBTJVMJQZ-UHFFFAOYSA-N 1 2 268.307 3.066 20 30 CGEDLO CCC[N@H+](Cc1ccc(OCC#N)cc1)CC(F)F ZINC000264587255 377989699 /nfs/dbraw/zinc/98/96/99/377989699.db2.gz XPSREOBTJVMJQZ-UHFFFAOYSA-N 1 2 268.307 3.066 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000612062797 378407006 /nfs/dbraw/zinc/40/70/06/378407006.db2.gz YHNRCBXBFUWZBJ-INIZCTEOSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000612062797 378407011 /nfs/dbraw/zinc/40/70/11/378407011.db2.gz YHNRCBXBFUWZBJ-INIZCTEOSA-N 1 2 296.374 3.171 20 30 CGEDLO CC(C)(C)[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000270629126 378377969 /nfs/dbraw/zinc/37/79/69/378377969.db2.gz UQQLXQNZYGXKPP-YZTBUCIPSA-N 1 2 261.365 3.405 20 30 CGEDLO CCCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000271131736 378460059 /nfs/dbraw/zinc/46/00/59/378460059.db2.gz PDBJFSMTGLNHBG-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000271131736 378460064 /nfs/dbraw/zinc/46/00/64/378460064.db2.gz PDBJFSMTGLNHBG-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO Cn1cc(C[N@@H+]2CCC=C(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272719893 378693358 /nfs/dbraw/zinc/69/33/58/378693358.db2.gz FCFIRHUJDIYNBZ-UHFFFAOYSA-N 1 2 296.349 3.018 20 30 CGEDLO Cn1cc(C[N@H+]2CCC=C(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000272719893 378693362 /nfs/dbraw/zinc/69/33/62/378693362.db2.gz FCFIRHUJDIYNBZ-UHFFFAOYSA-N 1 2 296.349 3.018 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnccc1OC ZINC000346843808 378694253 /nfs/dbraw/zinc/69/42/53/378694253.db2.gz XIMUESVEONLDFZ-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnccc1OC ZINC000346843808 378694256 /nfs/dbraw/zinc/69/42/56/378694256.db2.gz XIMUESVEONLDFZ-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO C#CC[N@H+](Cc1cc(-c2cccs2)on1)C1CC1 ZINC000274212863 378793079 /nfs/dbraw/zinc/79/30/79/378793079.db2.gz UBIMFOKBMXKFJC-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#CC[N@@H+](Cc1cc(-c2cccs2)on1)C1CC1 ZINC000274212863 378793083 /nfs/dbraw/zinc/79/30/83/378793083.db2.gz UBIMFOKBMXKFJC-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C=CCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000274518865 378846276 /nfs/dbraw/zinc/84/62/76/378846276.db2.gz ZMVOYEAZZCUVML-UHFFFAOYSA-N 1 2 283.375 3.018 20 30 CGEDLO Cc1cccn2c(/C=C\c3ccncc3C#N)c[nH+]c12 ZINC000347449546 218240145 /nfs/dbraw/zinc/24/01/45/218240145.db2.gz RMNLFERPSUOYGL-PLNGDYQASA-N 1 2 260.300 3.080 20 30 CGEDLO C=CCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000373284675 379254538 /nfs/dbraw/zinc/25/45/38/379254538.db2.gz AILMANFNILEGDN-HNNXBMFYSA-N 1 2 270.380 3.230 20 30 CGEDLO C=CC[C@H]1CC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC(C)(C)C ZINC000639425882 379376109 /nfs/dbraw/zinc/37/61/09/379376109.db2.gz QEHSTZOZBZIMOT-GUYCJALGSA-N 1 2 278.440 3.315 20 30 CGEDLO N#C[C@H]1[N@H+](CCCCCF)CCC[C@]12CCCCO2 ZINC000375362803 379493770 /nfs/dbraw/zinc/49/37/70/379493770.db2.gz RRWZDOAEZNERFD-HUUCEWRRSA-N 1 2 268.376 3.053 20 30 CGEDLO N#C[C@H]1[N@@H+](CCCCCF)CCC[C@]12CCCCO2 ZINC000375362803 379493774 /nfs/dbraw/zinc/49/37/74/379493774.db2.gz RRWZDOAEZNERFD-HUUCEWRRSA-N 1 2 268.376 3.053 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776571 379573932 /nfs/dbraw/zinc/57/39/32/379573932.db2.gz NNJUSIOQSDXQHZ-MRXNPFEDSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776571 379573942 /nfs/dbraw/zinc/57/39/42/379573942.db2.gz NNJUSIOQSDXQHZ-MRXNPFEDSA-N 1 2 285.778 3.252 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2sccc2Cl)CC1 ZINC000352448389 379817976 /nfs/dbraw/zinc/81/79/76/379817976.db2.gz GSUBFPGPVUPLTF-UHFFFAOYSA-N 1 2 258.749 3.229 20 30 CGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000267626720 190342421 /nfs/dbraw/zinc/34/24/21/190342421.db2.gz MPLCJAQERPSCNK-VIFPVBQESA-N 1 2 293.417 3.073 20 30 CGEDLO Cc1csc([C@@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)n1 ZINC000352799564 379968422 /nfs/dbraw/zinc/96/84/22/379968422.db2.gz OLZWSJSNBRQNQV-LBPRGKRZSA-N 1 2 290.417 3.021 20 30 CGEDLO CC(C)Oc1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352827264 379988290 /nfs/dbraw/zinc/98/82/90/379988290.db2.gz XYCYDTYKCFKSKV-UHFFFAOYSA-N 1 2 287.388 3.092 20 30 CGEDLO CSc1cccc(F)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000352904973 380030612 /nfs/dbraw/zinc/03/06/12/380030612.db2.gz WOUJQTAUGNGVRK-UHFFFAOYSA-N 1 2 276.336 3.302 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)no1 ZINC000283433691 380063525 /nfs/dbraw/zinc/06/35/25/380063525.db2.gz HLWKDWMCMQGEGV-VXGBXAGGSA-N 1 2 255.321 3.267 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025634 380285334 /nfs/dbraw/zinc/28/53/34/380285334.db2.gz HFVFJYFSVJJDMN-BPJJOFIESA-N 1 2 285.347 3.232 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025634 380285339 /nfs/dbraw/zinc/28/53/39/380285339.db2.gz HFVFJYFSVJJDMN-BPJJOFIESA-N 1 2 285.347 3.232 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025633 380286522 /nfs/dbraw/zinc/28/65/22/380286522.db2.gz HFVFJYFSVJJDMN-AGLBCWCQSA-N 1 2 285.347 3.232 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025633 380286526 /nfs/dbraw/zinc/28/65/26/380286526.db2.gz HFVFJYFSVJJDMN-AGLBCWCQSA-N 1 2 285.347 3.232 20 30 CGEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)CC(C)(C)C#N ZINC000354039056 380293916 /nfs/dbraw/zinc/29/39/16/380293916.db2.gz LYVPLNLMOLHXAD-UHFFFAOYSA-N 1 2 256.271 3.085 20 30 CGEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)CC(C)(C)C#N ZINC000354039056 380293920 /nfs/dbraw/zinc/29/39/20/380293920.db2.gz LYVPLNLMOLHXAD-UHFFFAOYSA-N 1 2 256.271 3.085 20 30 CGEDLO Cc1cccc2[nH+]cc(CNc3cccc(C#N)c3C)n21 ZINC000354765368 380553019 /nfs/dbraw/zinc/55/30/19/380553019.db2.gz NTISOIVTFYKMKU-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cncn1CC ZINC000417688921 380666718 /nfs/dbraw/zinc/66/67/18/380666718.db2.gz YDVSOTLTIBNRAC-UHFFFAOYSA-N 1 2 261.394 3.153 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncn1CC ZINC000417688921 380666724 /nfs/dbraw/zinc/66/67/24/380666724.db2.gz YDVSOTLTIBNRAC-UHFFFAOYSA-N 1 2 261.394 3.153 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc[nH+]c(C2CC2)n1 ZINC000419016266 380762994 /nfs/dbraw/zinc/76/29/94/380762994.db2.gz OQXSCSGCRGINMF-INIZCTEOSA-N 1 2 290.370 3.137 20 30 CGEDLO C=CCCC1(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000356417512 380800144 /nfs/dbraw/zinc/80/01/44/380800144.db2.gz JIXCBNCUNUHROF-CABCVRRESA-N 1 2 287.407 3.039 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(F)F)CC1 ZINC000334762748 207034295 /nfs/dbraw/zinc/03/42/95/207034295.db2.gz SGPZFJMATKKKAW-UHFFFAOYSA-N 1 2 268.282 3.174 20 30 CGEDLO CC[N@H+](CCCNc1cccnc1C#N)c1ccccc1 ZINC000357323915 381105852 /nfs/dbraw/zinc/10/58/52/381105852.db2.gz HWCMKCHKMXOKOK-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[N@@H+](CCCNc1cccnc1C#N)c1ccccc1 ZINC000357323915 381105856 /nfs/dbraw/zinc/10/58/56/381105856.db2.gz HWCMKCHKMXOKOK-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)C[C@](C)(O)C(F)(F)F ZINC000358649140 381320981 /nfs/dbraw/zinc/32/09/81/381320981.db2.gz JSWPWEIHSXXEHP-ZDUSSCGKSA-N 1 2 291.288 3.127 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@](C)(O)C(F)(F)F ZINC000358649140 381320991 /nfs/dbraw/zinc/32/09/91/381320991.db2.gz JSWPWEIHSXXEHP-ZDUSSCGKSA-N 1 2 291.288 3.127 20 30 CGEDLO C=C(CC)CNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000358650384 381321205 /nfs/dbraw/zinc/32/12/05/381321205.db2.gz OOKMPTDTBXMNFX-UHFFFAOYSA-N 1 2 287.407 3.154 20 30 CGEDLO Cc1nc(NCc2ccn3cc[nH+]c3c2)c(Cl)cc1C#N ZINC000360048223 381423860 /nfs/dbraw/zinc/42/38/60/381423860.db2.gz RYYVBJXXNLFAQY-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C=CCSc1ccccc1C(=O)Nc1cc[nH+]cc1C ZINC000362390042 381971112 /nfs/dbraw/zinc/97/11/12/381971112.db2.gz RIGONJBTWRZVNW-UHFFFAOYSA-N 1 2 284.384 3.342 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)c1 ZINC000367128632 382334853 /nfs/dbraw/zinc/33/48/53/382334853.db2.gz DNWIXLLVRXGOQO-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)c1 ZINC000367128632 382334855 /nfs/dbraw/zinc/33/48/55/382334855.db2.gz DNWIXLLVRXGOQO-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000352098077 533140172 /nfs/dbraw/zinc/14/01/72/533140172.db2.gz ZSFJVKRDVPOERG-JTQLQIEISA-N 1 2 277.418 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000352098077 533140175 /nfs/dbraw/zinc/14/01/75/533140175.db2.gz ZSFJVKRDVPOERG-JTQLQIEISA-N 1 2 277.418 3.463 20 30 CGEDLO COc1ccc(C#N)cc1NCc1cn2c(cccc2C)[nH+]1 ZINC000355093527 533273385 /nfs/dbraw/zinc/27/33/85/533273385.db2.gz DEDKBCOPCHXKBJ-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO Cc1cccc(N2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC000022289093 391944758 /nfs/dbraw/zinc/94/47/58/391944758.db2.gz KPPCHSHHOCBASG-UHFFFAOYSA-N 1 2 291.398 3.189 20 30 CGEDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(F)cc2C#N)n1 ZINC000072663005 392209444 /nfs/dbraw/zinc/20/94/44/392209444.db2.gz ICMIHMAUNZFXPP-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C#N)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646266 392232890 /nfs/dbraw/zinc/23/28/90/392232890.db2.gz CVXPQJABIXWJDC-UHFFFAOYSA-N 1 2 297.314 3.248 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646266 392232893 /nfs/dbraw/zinc/23/28/93/392232893.db2.gz CVXPQJABIXWJDC-UHFFFAOYSA-N 1 2 297.314 3.248 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177507176 392662878 /nfs/dbraw/zinc/66/28/78/392662878.db2.gz JMEXGQIYNZDJHU-LBPRGKRZSA-N 1 2 269.323 3.076 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177507176 392662887 /nfs/dbraw/zinc/66/28/87/392662887.db2.gz JMEXGQIYNZDJHU-LBPRGKRZSA-N 1 2 269.323 3.076 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)c1 ZINC000334318955 392718773 /nfs/dbraw/zinc/71/87/73/392718773.db2.gz SWLJURWJQNPYDK-IRXDYDNUSA-N 1 2 268.360 3.040 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)c1 ZINC000334318955 392718774 /nfs/dbraw/zinc/71/87/74/392718774.db2.gz SWLJURWJQNPYDK-IRXDYDNUSA-N 1 2 268.360 3.040 20 30 CGEDLO N#CCC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000335107353 392771856 /nfs/dbraw/zinc/77/18/56/392771856.db2.gz FJOPEKOFFOJHLL-UHFFFAOYSA-N 1 2 275.421 3.115 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cnc21 ZINC000338364525 392912737 /nfs/dbraw/zinc/91/27/37/392912737.db2.gz ZURKTWWAQRXYSW-ZDUSSCGKSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](C[C@@H](C)C#N)C3CC3)cnc21 ZINC000338364525 392912739 /nfs/dbraw/zinc/91/27/39/392912739.db2.gz ZURKTWWAQRXYSW-ZDUSSCGKSA-N 1 2 297.406 3.136 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](CC)CO1 ZINC000404051880 392963182 /nfs/dbraw/zinc/96/31/82/392963182.db2.gz FLNUYKQDWBHSAD-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](CC)CO1 ZINC000404051880 392963185 /nfs/dbraw/zinc/96/31/85/392963185.db2.gz FLNUYKQDWBHSAD-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1Cl ZINC000348714215 393129238 /nfs/dbraw/zinc/12/92/38/393129238.db2.gz MRQZKMSQETXMED-UHFFFAOYSA-N 1 2 266.747 3.476 20 30 CGEDLO C#CCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000270533390 393238588 /nfs/dbraw/zinc/23/85/88/393238588.db2.gz GBIWPORXCUADPB-DOMZBBRYSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000270533390 393238596 /nfs/dbraw/zinc/23/85/96/393238596.db2.gz GBIWPORXCUADPB-DOMZBBRYSA-N 1 2 263.768 3.125 20 30 CGEDLO CCOc1ccc(C#N)cc1NCc1cc(OC)cc(C)[nH+]1 ZINC000271195870 393245870 /nfs/dbraw/zinc/24/58/70/393245870.db2.gz HKCQBIODIZTZEN-UHFFFAOYSA-N 1 2 297.358 3.281 20 30 CGEDLO COc1cc[nH+]cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000355447269 393326638 /nfs/dbraw/zinc/32/66/38/393326638.db2.gz RVOBNHUAWYEISS-UHFFFAOYSA-N 1 2 295.342 3.144 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000274012508 393277423 /nfs/dbraw/zinc/27/74/23/393277423.db2.gz AVKOPJFQVOIIGG-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1 ZINC000274012508 393277428 /nfs/dbraw/zinc/27/74/28/393277428.db2.gz AVKOPJFQVOIIGG-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000649378786 393408938 /nfs/dbraw/zinc/40/89/38/393408938.db2.gz GHHSJBBPTDDHNI-MRXNPFEDSA-N 1 2 290.794 3.116 20 30 CGEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000649378786 393408941 /nfs/dbraw/zinc/40/89/41/393408941.db2.gz GHHSJBBPTDDHNI-MRXNPFEDSA-N 1 2 290.794 3.116 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](CC=C)CCC#N)cc1OC ZINC000430093814 393521501 /nfs/dbraw/zinc/52/15/01/393521501.db2.gz IQEGWNGUUFMWQL-UHFFFAOYSA-N 1 2 286.375 3.162 20 30 CGEDLO C=CCOc1ccc(C[N@H+](CC=C)CCC#N)cc1OC ZINC000430093814 393521503 /nfs/dbraw/zinc/52/15/03/393521503.db2.gz IQEGWNGUUFMWQL-UHFFFAOYSA-N 1 2 286.375 3.162 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000430104632 393524035 /nfs/dbraw/zinc/52/40/35/393524035.db2.gz VFCIBWSIZLQHQL-UHFFFAOYSA-N 1 2 286.404 3.050 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000430104632 393524038 /nfs/dbraw/zinc/52/40/38/393524038.db2.gz VFCIBWSIZLQHQL-UHFFFAOYSA-N 1 2 286.404 3.050 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000359866126 393555940 /nfs/dbraw/zinc/55/59/40/393555940.db2.gz CWLXBSDPYYWTBZ-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1F ZINC000359866126 393555948 /nfs/dbraw/zinc/55/59/48/393555948.db2.gz CWLXBSDPYYWTBZ-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@@H](CC)O1 ZINC000420964283 393561210 /nfs/dbraw/zinc/56/12/10/393561210.db2.gz WNXDTHGYHWRLHV-ZIAGYGMSSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489246785 393581414 /nfs/dbraw/zinc/58/14/14/393581414.db2.gz IVDKPUMAVCNEOS-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489246785 393581415 /nfs/dbraw/zinc/58/14/15/393581415.db2.gz IVDKPUMAVCNEOS-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO Cc1cc(N2CC[C@]3(CC[C@H](C)C3)C2)c(C#N)c[nH+]1 ZINC000425243161 393690761 /nfs/dbraw/zinc/69/07/61/393690761.db2.gz DXKXPVNVCLQEIT-LRDDRELGSA-N 1 2 255.365 3.278 20 30 CGEDLO Cc1cc(N2CC[C@H](c3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425235855 393691058 /nfs/dbraw/zinc/69/10/58/393691058.db2.gz JCMSWEQBCAXZET-AWEZNQCLSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1cc(C[NH2+]Cc2nnc(C(C)C)s2)ccc1C#N ZINC000443990378 393780581 /nfs/dbraw/zinc/78/05/81/393780581.db2.gz QOBWAJGINCAOES-UHFFFAOYSA-N 1 2 286.404 3.131 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667029278 542838587 /nfs/dbraw/zinc/83/85/87/542838587.db2.gz WOJGZJQKVCEKJV-ZDUSSCGKSA-N 1 2 298.390 3.421 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cscn1 ZINC000551917602 289139861 /nfs/dbraw/zinc/13/98/61/289139861.db2.gz HITAVAPOEJDQCB-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000073615901 165078488 /nfs/dbraw/zinc/07/84/88/165078488.db2.gz WQZUNZATOZTCFB-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000073615901 165078492 /nfs/dbraw/zinc/07/84/92/165078492.db2.gz WQZUNZATOZTCFB-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092108300 165284095 /nfs/dbraw/zinc/28/40/95/165284095.db2.gz FCMAJKPUIUTUOY-UHFFFAOYSA-N 1 2 276.343 3.380 20 30 CGEDLO COc1cc(C#N)ccc1OCc1[nH+]cc(C)c(OC)c1C ZINC000020260808 171118279 /nfs/dbraw/zinc/11/82/79/171118279.db2.gz FARXVPBMHGTMNV-UHFFFAOYSA-N 1 2 298.342 3.166 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285329855 196252458 /nfs/dbraw/zinc/25/24/58/196252458.db2.gz JPUILJQPNPCLNX-MRXNPFEDSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000285329855 196252459 /nfs/dbraw/zinc/25/24/59/196252459.db2.gz JPUILJQPNPCLNX-MRXNPFEDSA-N 1 2 266.348 3.009 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285366184 196261965 /nfs/dbraw/zinc/26/19/65/196261965.db2.gz MEIKLVCBGNJGHV-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285366184 196261966 /nfs/dbraw/zinc/26/19/66/196261966.db2.gz MEIKLVCBGNJGHV-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(CC)s1 ZINC000680049895 543681279 /nfs/dbraw/zinc/68/12/79/543681279.db2.gz SBVJRLPEWHSAQR-UHFFFAOYSA-N 1 2 287.432 3.331 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(CC)s1 ZINC000680049895 543681280 /nfs/dbraw/zinc/68/12/80/543681280.db2.gz SBVJRLPEWHSAQR-UHFFFAOYSA-N 1 2 287.432 3.331 20 30 CGEDLO COc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1OC(C)C ZINC000352098092 228182696 /nfs/dbraw/zinc/18/26/96/228182696.db2.gz ZXJPTPHKJMQXQZ-ZDUSSCGKSA-N 1 2 276.380 3.074 20 30 CGEDLO COc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1OC(C)C ZINC000352098092 228182697 /nfs/dbraw/zinc/18/26/97/228182697.db2.gz ZXJPTPHKJMQXQZ-ZDUSSCGKSA-N 1 2 276.380 3.074 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)nn1 ZINC000662339808 419395321 /nfs/dbraw/zinc/39/53/21/419395321.db2.gz CPFVURFYTCNGBG-GOSISDBHSA-N 1 2 296.418 3.269 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)ccc1F ZINC000041044079 260182189 /nfs/dbraw/zinc/18/21/89/260182189.db2.gz JLSBPHFSLXKXKG-LLVKDONJSA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1ccc2[nH+]c(CN(CCC#N)Cc3ccco3)cn2c1 ZINC000078666869 260301649 /nfs/dbraw/zinc/30/16/49/260301649.db2.gz HXYMMMNZGRTZHJ-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCO[C@H](C3CC3)C2)c1O ZINC000154226548 261089162 /nfs/dbraw/zinc/08/91/62/261089162.db2.gz ALMXMQOWPFRNCZ-KIHCMGJVSA-N 1 2 289.375 3.167 20 30 CGEDLO C#C[C@H](NCc1cn2cc(C)ccc2[nH+]1)c1ccc(F)cc1 ZINC000491775580 262033181 /nfs/dbraw/zinc/03/31/81/262033181.db2.gz DSDIZRXUSHENLS-KRWDZBQOSA-N 1 2 293.345 3.246 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccc(F)cc1 ZINC000491775580 262033183 /nfs/dbraw/zinc/03/31/83/262033183.db2.gz DSDIZRXUSHENLS-KRWDZBQOSA-N 1 2 293.345 3.246 20 30 CGEDLO COc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)c(OC)c1OC ZINC000185731946 262068732 /nfs/dbraw/zinc/06/87/32/262068732.db2.gz UNRLZHOEECXVBV-VXGBXAGGSA-N 1 2 290.363 3.207 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc2ccccn12 ZINC000160632348 262289913 /nfs/dbraw/zinc/28/99/13/262289913.db2.gz OVNDMQUDGGHBPQ-UHFFFAOYSA-N 1 2 284.407 3.486 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2ccccn12 ZINC000160632348 262289914 /nfs/dbraw/zinc/28/99/14/262289914.db2.gz OVNDMQUDGGHBPQ-UHFFFAOYSA-N 1 2 284.407 3.486 20 30 CGEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272512509 263005636 /nfs/dbraw/zinc/00/56/36/263005636.db2.gz GIFYWYWUVGQCJH-HNNXBMFYSA-N 1 2 299.418 3.256 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000272517614 263005666 /nfs/dbraw/zinc/00/56/66/263005666.db2.gz KNYMRMJWFDBNMZ-CYBMUJFWSA-N 1 2 291.420 3.120 20 30 CGEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000273392555 263016549 /nfs/dbraw/zinc/01/65/49/263016549.db2.gz DUJOJIKMHXZCHN-CQSZACIVSA-N 1 2 277.368 3.300 20 30 CGEDLO COc1ccc(C[C@H](C)C[N@H+](CC#N)C2CC2)cc1F ZINC000274542239 263025596 /nfs/dbraw/zinc/02/55/96/263025596.db2.gz CFJIEAAQTIURPL-LBPRGKRZSA-N 1 2 276.355 3.001 20 30 CGEDLO COc1ccc(C[C@H](C)C[N@@H+](CC#N)C2CC2)cc1F ZINC000274542239 263025597 /nfs/dbraw/zinc/02/55/97/263025597.db2.gz CFJIEAAQTIURPL-LBPRGKRZSA-N 1 2 276.355 3.001 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000276308819 263036105 /nfs/dbraw/zinc/03/61/05/263036105.db2.gz LLVZCIWMSSTLLU-SCRDCRAPSA-N 1 2 264.394 3.202 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000276308819 263036106 /nfs/dbraw/zinc/03/61/06/263036106.db2.gz LLVZCIWMSSTLLU-SCRDCRAPSA-N 1 2 264.394 3.202 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000277363507 263040952 /nfs/dbraw/zinc/04/09/52/263040952.db2.gz MJZNQUGYMXKJDB-XQGPJPATSA-N 1 2 297.354 3.295 20 30 CGEDLO Cc1cnc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)s1 ZINC000277636280 263042523 /nfs/dbraw/zinc/04/25/23/263042523.db2.gz ZEMOWHYXCDANMA-ZDUSSCGKSA-N 1 2 288.420 3.074 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cncc(OCc2ccccc2)c1 ZINC000278316582 263046991 /nfs/dbraw/zinc/04/69/91/263046991.db2.gz BWKWUUMDIHFLOQ-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cncc(OCc2ccccc2)c1 ZINC000278316582 263046992 /nfs/dbraw/zinc/04/69/92/263046992.db2.gz BWKWUUMDIHFLOQ-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO N#C[C@H]1CC[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000278524229 263048563 /nfs/dbraw/zinc/04/85/63/263048563.db2.gz CYLSYGMBRZCZBG-BBDZXRDTSA-N 1 2 295.430 3.010 20 30 CGEDLO CC(C)C[C@@H](C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000282026008 263073648 /nfs/dbraw/zinc/07/36/48/263073648.db2.gz PRALNDSXNHFMKY-OAHLLOKOSA-N 1 2 259.397 3.479 20 30 CGEDLO CC(C)C[C@@H](C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000282026008 263073649 /nfs/dbraw/zinc/07/36/49/263073649.db2.gz PRALNDSXNHFMKY-OAHLLOKOSA-N 1 2 259.397 3.479 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OCCCOC)c1 ZINC000292734557 263134547 /nfs/dbraw/zinc/13/45/47/263134547.db2.gz GRSVWNWDHQQMDX-UHFFFAOYSA-N 1 2 288.391 3.004 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(OCCCOC)c1 ZINC000292734557 263134548 /nfs/dbraw/zinc/13/45/48/263134548.db2.gz GRSVWNWDHQQMDX-UHFFFAOYSA-N 1 2 288.391 3.004 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCCC)cc1O ZINC000292781170 263135049 /nfs/dbraw/zinc/13/50/49/263135049.db2.gz LJZGWPFZCAAEHW-UHFFFAOYSA-N 1 2 274.364 3.083 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCCC)cc1O ZINC000292781170 263135050 /nfs/dbraw/zinc/13/50/50/263135050.db2.gz LJZGWPFZCAAEHW-UHFFFAOYSA-N 1 2 274.364 3.083 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298155968 263215616 /nfs/dbraw/zinc/21/56/16/263215616.db2.gz AGTOZNBINRCABB-JTQLQIEISA-N 1 2 272.270 3.177 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000298155968 263215617 /nfs/dbraw/zinc/21/56/17/263215617.db2.gz AGTOZNBINRCABB-JTQLQIEISA-N 1 2 272.270 3.177 20 30 CGEDLO Oc1cccc(/C=[NH+]/C2CCN(c3ccccc3)CC2)c1O ZINC000299153266 263232227 /nfs/dbraw/zinc/23/22/27/263232227.db2.gz GTXSTWBUEUXGGF-CPNJWEJPSA-N 1 2 296.370 3.186 20 30 CGEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000299187409 263234393 /nfs/dbraw/zinc/23/43/93/263234393.db2.gz CKVQZVDUVJYTRH-QMMMGPOBSA-N 1 2 277.315 3.286 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000299187409 263234396 /nfs/dbraw/zinc/23/43/96/263234396.db2.gz CKVQZVDUVJYTRH-QMMMGPOBSA-N 1 2 277.315 3.286 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000299206539 263235092 /nfs/dbraw/zinc/23/50/92/263235092.db2.gz GHVUIMZCZPAOES-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000299206539 263235093 /nfs/dbraw/zinc/23/50/93/263235093.db2.gz GHVUIMZCZPAOES-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2CC)CC1 ZINC000341983869 263371079 /nfs/dbraw/zinc/37/10/79/263371079.db2.gz NFVDYWWOXFWUPA-CQSZACIVSA-N 1 2 272.392 3.228 20 30 CGEDLO COc1cc[nH+]cc1CSCCC(C)(C)C#N ZINC000342004627 263375846 /nfs/dbraw/zinc/37/58/46/263375846.db2.gz NVMYYHOAESDYJH-UHFFFAOYSA-N 1 2 250.367 3.263 20 30 CGEDLO CC(C)[C@@H](NC(=O)CCC1CCOCC1)c1[nH]cc[nH+]1 ZINC000328753509 263855379 /nfs/dbraw/zinc/85/53/79/263855379.db2.gz NTFAIUIIHIJDKT-CQSZACIVSA-N 1 2 279.384 3.270 20 30 CGEDLO Cc1[nH]c(C(=O)NCC[C@H](C)CC(C)(C)C)c[nH+]1 ZINC000331269942 264168717 /nfs/dbraw/zinc/16/87/17/264168717.db2.gz AFCKEOPZWNDDMK-JTQLQIEISA-N 1 2 251.374 3.485 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000180039809 264390113 /nfs/dbraw/zinc/39/01/13/264390113.db2.gz UOFSELYJMOLDEM-AWEZNQCLSA-N 1 2 257.337 3.175 20 30 CGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)C1CC1 ZINC000357556968 266323739 /nfs/dbraw/zinc/32/37/39/266323739.db2.gz WXSYUCNSLLQONR-UHFFFAOYSA-N 1 2 272.392 3.273 20 30 CGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)C1CC1 ZINC000357556968 266323742 /nfs/dbraw/zinc/32/37/42/266323742.db2.gz WXSYUCNSLLQONR-UHFFFAOYSA-N 1 2 272.392 3.273 20 30 CGEDLO Cn1c(C[NH2+]CC2(C#N)CCC2)nc2ccc(Cl)cc21 ZINC000418138659 267360439 /nfs/dbraw/zinc/36/04/39/267360439.db2.gz GSLFFNFDYRQQQN-UHFFFAOYSA-N 1 2 288.782 3.010 20 30 CGEDLO C=C1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000353326895 276878472 /nfs/dbraw/zinc/87/84/72/276878472.db2.gz AEYMFBPHSJKQLL-LBPRGKRZSA-N 1 2 262.422 3.420 20 30 CGEDLO C=C1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000353326894 276878415 /nfs/dbraw/zinc/87/84/15/276878415.db2.gz AEYMFBPHSJKQLL-GFCCVEGCSA-N 1 2 262.422 3.420 20 30 CGEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009421 288251005 /nfs/dbraw/zinc/25/10/05/288251005.db2.gz SOICUUDCBHFPEX-MFKMUULPSA-N 1 2 293.317 3.112 20 30 CGEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009421 288251008 /nfs/dbraw/zinc/25/10/08/288251008.db2.gz SOICUUDCBHFPEX-MFKMUULPSA-N 1 2 293.317 3.112 20 30 CGEDLO COc1cc(C#N)ccc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000545294149 288887052 /nfs/dbraw/zinc/88/70/52/288887052.db2.gz XQANIMQHQYJELH-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)c(Cl)c1OC ZINC000354017369 295124631 /nfs/dbraw/zinc/12/46/31/295124631.db2.gz JMQVSHJTCCFKPJ-UHFFFAOYSA-N 1 2 296.798 3.339 20 30 CGEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(Cl)c1OC ZINC000354017369 295124634 /nfs/dbraw/zinc/12/46/34/295124634.db2.gz JMQVSHJTCCFKPJ-UHFFFAOYSA-N 1 2 296.798 3.339 20 30 CGEDLO N#CC1(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)CCC1 ZINC000334617656 303142038 /nfs/dbraw/zinc/14/20/38/303142038.db2.gz CIVHJOIXTKAPQB-HNNXBMFYSA-N 1 2 284.407 3.119 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000583542128 328604075 /nfs/dbraw/zinc/60/40/75/328604075.db2.gz RGAOTLVLJJSQOO-UHFFFAOYSA-N 1 2 293.370 3.054 20 30 CGEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000339392499 328009339 /nfs/dbraw/zinc/00/93/39/328009339.db2.gz HJKCUUGIXWUANG-KRWDZBQOSA-N 1 2 298.342 3.140 20 30 CGEDLO CCC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000533991212 328032190 /nfs/dbraw/zinc/03/21/90/328032190.db2.gz NYCHISHHVPGUJY-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CCC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000533991212 328032192 /nfs/dbraw/zinc/03/21/92/328032192.db2.gz NYCHISHHVPGUJY-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CCC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000533991211 328032254 /nfs/dbraw/zinc/03/22/54/328032254.db2.gz NYCHISHHVPGUJY-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CCC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000533991211 328032255 /nfs/dbraw/zinc/03/22/55/328032255.db2.gz NYCHISHHVPGUJY-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CSc1cccc(F)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000571270269 328096646 /nfs/dbraw/zinc/09/66/46/328096646.db2.gz APVWFRHPYWFCBO-NSHDSACASA-N 1 2 277.368 3.081 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000411765386 328099386 /nfs/dbraw/zinc/09/93/86/328099386.db2.gz BSOULFHBEAESHA-JQWIXIFHSA-N 1 2 278.318 3.110 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000411765386 328099388 /nfs/dbraw/zinc/09/93/88/328099388.db2.gz BSOULFHBEAESHA-JQWIXIFHSA-N 1 2 278.318 3.110 20 30 CGEDLO Cn1c[nH+]cc1CNc1ccccc1SCCC#N ZINC000268415725 328184941 /nfs/dbraw/zinc/18/49/41/328184941.db2.gz FKXXFTLVWILDSB-UHFFFAOYSA-N 1 2 272.377 3.038 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1ccc(F)c(F)c1 ZINC000292305154 328269425 /nfs/dbraw/zinc/26/94/25/328269425.db2.gz UYQBYLQVKTUVHF-LLVKDONJSA-N 1 2 250.292 3.427 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@H](C)c1ccc(F)c(F)c1 ZINC000292305154 328269426 /nfs/dbraw/zinc/26/94/26/328269426.db2.gz UYQBYLQVKTUVHF-LLVKDONJSA-N 1 2 250.292 3.427 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566312260 322115537 /nfs/dbraw/zinc/11/55/37/322115537.db2.gz MAMZVYBYMUUQIC-UHFFFAOYSA-N 1 2 297.314 3.311 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C#N)CC1 ZINC000057872750 326868292 /nfs/dbraw/zinc/86/82/92/326868292.db2.gz VMRSOYZGXGEICS-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(C2CC2)ccc1F ZINC000517902413 327141906 /nfs/dbraw/zinc/14/19/06/327141906.db2.gz DZZVZHRKMHLJNI-LBPRGKRZSA-N 1 2 271.339 3.236 20 30 CGEDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccccc2C(C)(C)C#N)n1 ZINC000569375599 327168928 /nfs/dbraw/zinc/16/89/28/327168928.db2.gz ZYJHORZBPLCFQJ-LBPRGKRZSA-N 1 2 298.390 3.372 20 30 CGEDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccccc2C(C)(C)C#N)n1 ZINC000569375599 327168930 /nfs/dbraw/zinc/16/89/30/327168930.db2.gz ZYJHORZBPLCFQJ-LBPRGKRZSA-N 1 2 298.390 3.372 20 30 CGEDLO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)CC(C)(C)C#N ZINC000559471212 327247367 /nfs/dbraw/zinc/24/73/67/327247367.db2.gz OKPOLZDUHDJIPO-UHFFFAOYSA-N 1 2 280.755 3.050 20 30 CGEDLO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)CC(C)(C)C#N ZINC000559471212 327247368 /nfs/dbraw/zinc/24/73/68/327247368.db2.gz OKPOLZDUHDJIPO-UHFFFAOYSA-N 1 2 280.755 3.050 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000574701309 327366725 /nfs/dbraw/zinc/36/67/25/327366725.db2.gz XTLIEYBEWKJEOV-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000574701309 327366726 /nfs/dbraw/zinc/36/67/26/327366726.db2.gz XTLIEYBEWKJEOV-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1csc([C@@H](C)OC)n1 ZINC000175063239 329162050 /nfs/dbraw/zinc/16/20/50/329162050.db2.gz UNFQVCCQQHJJIH-LLVKDONJSA-N 1 2 254.399 3.249 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1csc([C@@H](C)OC)n1 ZINC000175063239 329162052 /nfs/dbraw/zinc/16/20/52/329162052.db2.gz UNFQVCCQQHJJIH-LLVKDONJSA-N 1 2 254.399 3.249 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cccnc1OC ZINC000176456183 329175775 /nfs/dbraw/zinc/17/57/75/329175775.db2.gz YFZPKKOENUESSN-UHFFFAOYSA-N 1 2 268.360 3.278 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cccnc1OC ZINC000176456183 329175776 /nfs/dbraw/zinc/17/57/76/329175776.db2.gz YFZPKKOENUESSN-UHFFFAOYSA-N 1 2 268.360 3.278 20 30 CGEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000583087656 329308713 /nfs/dbraw/zinc/30/87/13/329308713.db2.gz ZLZWNINSOLIAAN-AWEZNQCLSA-N 1 2 269.348 3.053 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419192121 329712909 /nfs/dbraw/zinc/71/29/09/329712909.db2.gz XLKOLLYHZAJAHA-HNNXBMFYSA-N 1 2 293.382 3.102 20 30 CGEDLO COc1cc(C)[nH+]c(CSCC2(C#N)CCC2)c1 ZINC000419452332 329730548 /nfs/dbraw/zinc/73/05/48/329730548.db2.gz GSZDQEGUCCMRBX-UHFFFAOYSA-N 1 2 262.378 3.326 20 30 CGEDLO C=CC[N@@H+](Cc1nccn1CC)Cc1ccccc1 ZINC000195514472 330134860 /nfs/dbraw/zinc/13/48/60/330134860.db2.gz HHUNOFTXVZQMRN-UHFFFAOYSA-N 1 2 255.365 3.091 20 30 CGEDLO C=CC[N@H+](Cc1nccn1CC)Cc1ccccc1 ZINC000195514472 330134862 /nfs/dbraw/zinc/13/48/62/330134862.db2.gz HHUNOFTXVZQMRN-UHFFFAOYSA-N 1 2 255.365 3.091 20 30 CGEDLO C=CCN(Cc1[nH+]ccn1CC)Cc1ccccc1 ZINC000195514472 330134863 /nfs/dbraw/zinc/13/48/63/330134863.db2.gz HHUNOFTXVZQMRN-UHFFFAOYSA-N 1 2 255.365 3.091 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(F)c1F ZINC000450691579 330993924 /nfs/dbraw/zinc/99/39/24/330993924.db2.gz KPSJCEXRFIPQIN-JTQLQIEISA-N 1 2 250.292 3.309 20 30 CGEDLO C[C@@](CO)([NH2+]CC1(C#N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000451904012 331046880 /nfs/dbraw/zinc/04/68/80/331046880.db2.gz FYWMQKSCMDRHQU-ZDUSSCGKSA-N 1 2 299.201 3.094 20 30 CGEDLO C=CC[C@H](C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456424305 331192418 /nfs/dbraw/zinc/19/24/18/331192418.db2.gz PKWCUPBIQJIJQV-BPUTZDHNSA-N 1 2 295.386 3.365 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH+]c(C)cc2C)CCCC1 ZINC000456831469 331206685 /nfs/dbraw/zinc/20/66/85/331206685.db2.gz UTTWAHLHUKIFDP-UHFFFAOYSA-N 1 2 272.392 3.451 20 30 CGEDLO C=C(CC)CNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000459090965 331270057 /nfs/dbraw/zinc/27/00/57/331270057.db2.gz MFLLREUNKBATAP-OAHLLOKOSA-N 1 2 298.390 3.107 20 30 CGEDLO C=C(C)CC[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000459604845 331290276 /nfs/dbraw/zinc/29/02/76/331290276.db2.gz BMLCGYPVSQGYGE-OAHLLOKOSA-N 1 2 261.365 3.073 20 30 CGEDLO C=C(C[NH2+][C@H](CCC)C(=O)OCC)c1ccccc1 ZINC000487914574 331983978 /nfs/dbraw/zinc/98/39/78/331983978.db2.gz KMMVAZDUZAECOE-OAHLLOKOSA-N 1 2 261.365 3.021 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000488839868 332028601 /nfs/dbraw/zinc/02/86/01/332028601.db2.gz OOBNRLJUKVJSOH-QGZVFWFLSA-N 1 2 295.386 3.112 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000489440593 332052568 /nfs/dbraw/zinc/05/25/68/332052568.db2.gz SSNZRSMBWHEVRF-ZDUSSCGKSA-N 1 2 272.396 3.031 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000489440593 332052570 /nfs/dbraw/zinc/05/25/70/332052570.db2.gz SSNZRSMBWHEVRF-ZDUSSCGKSA-N 1 2 272.396 3.031 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cn1 ZINC000489477790 332055313 /nfs/dbraw/zinc/05/53/13/332055313.db2.gz MKHKCBSLWMRUBA-CYBMUJFWSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000489477790 332055315 /nfs/dbraw/zinc/05/53/15/332055315.db2.gz MKHKCBSLWMRUBA-CYBMUJFWSA-N 1 2 281.197 3.385 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000490080112 332080668 /nfs/dbraw/zinc/08/06/68/332080668.db2.gz NGJHURWSGVEQEK-ZETCQYMHSA-N 1 2 275.299 3.116 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C(C)C)o1)[C@H]1CCc2ccccc21 ZINC000490742412 332112324 /nfs/dbraw/zinc/11/23/24/332112324.db2.gz XIKHMGPNYUTGCB-INIZCTEOSA-N 1 2 295.386 3.316 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C(C)C)o1)[C@H]1CCc2ccccc21 ZINC000490742412 332112325 /nfs/dbraw/zinc/11/23/25/332112325.db2.gz XIKHMGPNYUTGCB-INIZCTEOSA-N 1 2 295.386 3.316 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2cc(Cl)ccc2n1C ZINC000172167090 335096577 /nfs/dbraw/zinc/09/65/77/335096577.db2.gz FWWUVFYCYQHJTI-UHFFFAOYSA-N 1 2 275.783 3.401 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(CC)c1)c1ccc(Cl)cc1 ZINC000491644203 332262460 /nfs/dbraw/zinc/26/24/60/332262460.db2.gz JFOCOSLNEFFDHP-HNNXBMFYSA-N 1 2 273.767 3.021 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000513959316 333055065 /nfs/dbraw/zinc/05/50/65/333055065.db2.gz JUWDHLBRNXXEIU-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000513959316 333055066 /nfs/dbraw/zinc/05/50/66/333055066.db2.gz JUWDHLBRNXXEIU-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000521742518 333186467 /nfs/dbraw/zinc/18/64/67/333186467.db2.gz ZRNXQLOJCURYTB-UHFFFAOYSA-N 1 2 283.375 3.451 20 30 CGEDLO COC(=O)[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000234546554 333360712 /nfs/dbraw/zinc/36/07/12/333360712.db2.gz RTYOZKDMSXUFAM-HNNXBMFYSA-N 1 2 288.391 3.210 20 30 CGEDLO CCO[C@H](C)c1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541023135 333759713 /nfs/dbraw/zinc/75/97/13/333759713.db2.gz SCNLGXTZGDKYRN-GFCCVEGCSA-N 1 2 293.436 3.366 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)nc1 ZINC000576237512 335175637 /nfs/dbraw/zinc/17/56/37/335175637.db2.gz BAEGMCVKMWUFIM-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)nc1 ZINC000576237512 335175638 /nfs/dbraw/zinc/17/56/38/335175638.db2.gz BAEGMCVKMWUFIM-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO C=CCC[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)c1ccccc1 ZINC000547978934 334132994 /nfs/dbraw/zinc/13/29/94/334132994.db2.gz MXMDMNVFHSKNQH-KRWDZBQOSA-N 1 2 295.386 3.016 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ccno1)c1ccc(F)c(F)c1 ZINC000548492134 334160321 /nfs/dbraw/zinc/16/03/21/334160321.db2.gz WUBIIOGSOKXXDW-CQSZACIVSA-N 1 2 264.275 3.360 20 30 CGEDLO C=CC[C@@H](C(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000548646031 334165139 /nfs/dbraw/zinc/16/51/39/334165139.db2.gz SHGPHZUQYWPQHC-QGZVFWFLSA-N 1 2 297.402 3.139 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)C1 ZINC000549553004 334197879 /nfs/dbraw/zinc/19/78/79/334197879.db2.gz QQLLEEHMANNABK-AXAPSJFSSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)C1 ZINC000549553004 334197880 /nfs/dbraw/zinc/19/78/80/334197880.db2.gz QQLLEEHMANNABK-AXAPSJFSSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@H]1C[N@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000245508576 334198921 /nfs/dbraw/zinc/19/89/21/334198921.db2.gz SFSORSHVCLIBJZ-MJGOQNOKSA-N 1 2 295.430 3.053 20 30 CGEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000245508576 334198922 /nfs/dbraw/zinc/19/89/22/334198922.db2.gz SFSORSHVCLIBJZ-MJGOQNOKSA-N 1 2 295.430 3.053 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000550140659 334214157 /nfs/dbraw/zinc/21/41/57/334214157.db2.gz JMDQUKRBOFSFSH-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000550140659 334214159 /nfs/dbraw/zinc/21/41/59/334214159.db2.gz JMDQUKRBOFSFSH-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]ccc(C)c1Cl ZINC000553557107 334391360 /nfs/dbraw/zinc/39/13/60/334391360.db2.gz UPPLDURLNSPNAJ-AAEUAGOBSA-N 1 2 266.772 3.437 20 30 CGEDLO CCCCCCCCC(=O)NCc1[nH]c[nH+]c1C ZINC000267046812 334694573 /nfs/dbraw/zinc/69/45/73/334694573.db2.gz DNKMTMRJINWXHM-UHFFFAOYSA-N 1 2 251.374 3.085 20 30 CGEDLO COC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000567708237 334754265 /nfs/dbraw/zinc/75/42/65/334754265.db2.gz KKBRJBXJJRLBMQ-IUODEOHRSA-N 1 2 291.782 3.061 20 30 CGEDLO C=CCCCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000568188987 334802383 /nfs/dbraw/zinc/80/23/83/334802383.db2.gz YSUOZDSCEPLKQO-UHFFFAOYSA-N 1 2 275.396 3.244 20 30 CGEDLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000576885714 335260660 /nfs/dbraw/zinc/26/06/60/335260660.db2.gz FBITZMXISYFRFW-MRXNPFEDSA-N 1 2 278.359 3.455 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000577007712 335278705 /nfs/dbraw/zinc/27/87/05/335278705.db2.gz FGRUGWRYFUEHAO-HXUWFJFHSA-N 1 2 291.394 3.420 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000577007712 335278706 /nfs/dbraw/zinc/27/87/06/335278706.db2.gz FGRUGWRYFUEHAO-HXUWFJFHSA-N 1 2 291.394 3.420 20 30 CGEDLO C=CCCCC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000577638482 335384299 /nfs/dbraw/zinc/38/42/99/335384299.db2.gz WPBSWRVHCWLZKZ-UHFFFAOYSA-N 1 2 284.363 3.003 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000425542298 534080697 /nfs/dbraw/zinc/08/06/97/534080697.db2.gz QQMBUEGLFAJEPN-LBPRGKRZSA-N 1 2 298.390 3.432 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000425542298 534080703 /nfs/dbraw/zinc/08/07/03/534080703.db2.gz QQMBUEGLFAJEPN-LBPRGKRZSA-N 1 2 298.390 3.432 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3C#N)sc2C1 ZINC000350467026 534270205 /nfs/dbraw/zinc/27/02/05/534270205.db2.gz ZEHWLMFTWSVELF-WOPDTQHZSA-N 1 2 275.421 3.050 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)oc1C ZINC000425540395 534345070 /nfs/dbraw/zinc/34/50/70/534345070.db2.gz VDWDFPBELIRRPM-GFCCVEGCSA-N 1 2 269.348 3.356 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)oc1C ZINC000425540395 534345077 /nfs/dbraw/zinc/34/50/77/534345077.db2.gz VDWDFPBELIRRPM-GFCCVEGCSA-N 1 2 269.348 3.356 20 30 CGEDLO N#Cc1c(Cl)cccc1NCc1cn2ccccc2[nH+]1 ZINC000354679077 534762260 /nfs/dbraw/zinc/76/22/60/534762260.db2.gz JWCDZWXQWBOXDK-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=CCN(CCCc1ccc(C)[nH+]c1)CC(F)(F)F ZINC000353453252 526275083 /nfs/dbraw/zinc/27/50/83/526275083.db2.gz YGPVCUGKBQQUEP-UHFFFAOYSA-N 1 2 272.314 3.373 20 30 CGEDLO C=C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000353330938 526904677 /nfs/dbraw/zinc/90/46/77/526904677.db2.gz SLMBZLCGFJZLSA-UHFFFAOYSA-N 1 2 276.336 3.146 20 30 CGEDLO C=CC1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000336605411 526969415 /nfs/dbraw/zinc/96/94/15/526969415.db2.gz XXNLFLHFQIXPCY-UHFFFAOYSA-N 1 2 259.353 3.128 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000352245664 527328187 /nfs/dbraw/zinc/32/81/87/527328187.db2.gz CJCDMYYKPIOHDF-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCC[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000352245664 527328194 /nfs/dbraw/zinc/32/81/94/527328194.db2.gz CJCDMYYKPIOHDF-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnc(CC)o1 ZINC000411165335 528135287 /nfs/dbraw/zinc/13/52/87/528135287.db2.gz JQUSLJNRZCTMCX-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnc(CC)o1 ZINC000411165335 528135290 /nfs/dbraw/zinc/13/52/90/528135290.db2.gz JQUSLJNRZCTMCX-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(Cl)c1OC ZINC000352097738 528259712 /nfs/dbraw/zinc/25/97/12/528259712.db2.gz VXOFBKZOLSVWBP-NSHDSACASA-N 1 2 296.798 3.339 20 30 CGEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(Cl)c1OC ZINC000352097738 528259718 /nfs/dbraw/zinc/25/97/18/528259718.db2.gz VXOFBKZOLSVWBP-NSHDSACASA-N 1 2 296.798 3.339 20 30 CGEDLO CCCc1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425541150 528785879 /nfs/dbraw/zinc/78/58/79/528785879.db2.gz PGELVPJGNBGAMM-GFCCVEGCSA-N 1 2 284.363 3.087 20 30 CGEDLO CCCc1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425541150 528785885 /nfs/dbraw/zinc/78/58/85/528785885.db2.gz PGELVPJGNBGAMM-GFCCVEGCSA-N 1 2 284.363 3.087 20 30 CGEDLO Cc1c(N[NH+]=Cc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000727972985 571782194 /nfs/dbraw/zinc/78/21/94/571782194.db2.gz NXRYPWWPCMRJSX-UHFFFAOYSA-N 1 2 298.346 3.415 20 30 CGEDLO Cc1cc(C)cc(CC/[NH+]=C/c2cccc(O)c2O)c1 ZINC000740763206 572455490 /nfs/dbraw/zinc/45/54/90/572455490.db2.gz BXYNBXGUNVOMKB-WOJGMQOQSA-N 1 2 269.344 3.376 20 30 CGEDLO CC1(C)[C@H](/[NH+]=C/c2ccccc2O)[C@@H]2CCCO[C@H]21 ZINC000741463340 572499692 /nfs/dbraw/zinc/49/96/92/572499692.db2.gz DIALJEPWRDFLRU-FWDAAWMGSA-N 1 2 259.349 3.015 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]\CC[C@@H]2CCCC[C@H]2C)c1O ZINC000733904154 572612357 /nfs/dbraw/zinc/61/23/57/572612357.db2.gz VFVZWWMKXYCQFP-OYVKMAIOSA-N 1 2 290.407 3.223 20 30 CGEDLO CCc1cnc(CC/[NH+]=C/c2c(O)cccc2OC)s1 ZINC000743043986 572635783 /nfs/dbraw/zinc/63/57/83/572635783.db2.gz CBWHOZHZLZDVIC-MHWRWJLKSA-N 1 2 290.388 3.081 20 30 CGEDLO C#CCOc1ccccc1C[NH2+]Cc1c(F)cccc1F ZINC000734159567 572636941 /nfs/dbraw/zinc/63/69/41/572636941.db2.gz QMEYUHXERFTHCP-UHFFFAOYSA-N 1 2 287.309 3.267 20 30 CGEDLO CC(C)(C/[NH+]=C\c1ccc(O)c(O)c1O)Cc1ccccc1 ZINC000735228606 572707132 /nfs/dbraw/zinc/70/71/32/572707132.db2.gz DCANOIKNYNCEAI-ODLFYWEKSA-N 1 2 299.370 3.491 20 30 CGEDLO C[N@H+](Cc1ccco1)Cc1cc(Cl)ccc1OCC#N ZINC000735306660 572714275 /nfs/dbraw/zinc/71/42/75/572714275.db2.gz QTIUCGKYOVATMX-UHFFFAOYSA-N 1 2 290.750 3.467 20 30 CGEDLO C[N@@H+](Cc1ccco1)Cc1cc(Cl)ccc1OCC#N ZINC000735306660 572714278 /nfs/dbraw/zinc/71/42/78/572714278.db2.gz QTIUCGKYOVATMX-UHFFFAOYSA-N 1 2 290.750 3.467 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(F)c(F)c2)ccc1F ZINC000735488364 572725182 /nfs/dbraw/zinc/72/51/82/572725182.db2.gz IOSONWPEEUBGGE-UHFFFAOYSA-N 1 2 294.276 3.249 20 30 CGEDLO Fc1cccc(N2CCCC2)c1C=[NH+]OCc1cccnc1 ZINC000746585844 572882840 /nfs/dbraw/zinc/88/28/40/572882840.db2.gz MDLGTTGGAYDQQK-UHFFFAOYSA-N 1 2 299.349 3.372 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC2(CCCC2)CC1=O ZINC000747453098 572929671 /nfs/dbraw/zinc/92/96/71/572929671.db2.gz ATZBCZXPNXPGAV-UHFFFAOYSA-N 1 2 298.430 3.425 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1CC2(CCCC2)CC1=O ZINC000747453098 572929674 /nfs/dbraw/zinc/92/96/74/572929674.db2.gz ATZBCZXPNXPGAV-UHFFFAOYSA-N 1 2 298.430 3.425 20 30 CGEDLO C=C(Br)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000747531294 572934476 /nfs/dbraw/zinc/93/44/76/572934476.db2.gz HPNWBNHEYQXGHN-SNVBAGLBSA-N 1 2 252.155 3.472 20 30 CGEDLO C=C(Br)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000747531294 572934477 /nfs/dbraw/zinc/93/44/77/572934477.db2.gz HPNWBNHEYQXGHN-SNVBAGLBSA-N 1 2 252.155 3.472 20 30 CGEDLO COCCO[NH+]=Cc1ccc(N(C)c2ccccc2)cc1 ZINC000748788817 572984218 /nfs/dbraw/zinc/98/42/18/572984218.db2.gz JWIQITMOSJXUIK-UHFFFAOYSA-N 1 2 284.359 3.451 20 30 CGEDLO C=C(Cl)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000749345830 572992291 /nfs/dbraw/zinc/99/22/91/572992291.db2.gz FXPQETNIDHWNKV-UHFFFAOYSA-N 1 2 287.794 3.109 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC000957068165 613295038 /nfs/dbraw/zinc/29/50/38/613295038.db2.gz PURDWLGZHAGUND-WMZOPIPTSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526366 613375787 /nfs/dbraw/zinc/37/57/87/613375787.db2.gz OFBBRSMUUKDKHO-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526366 613375788 /nfs/dbraw/zinc/37/57/88/613375788.db2.gz OFBBRSMUUKDKHO-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1cc(C#N)nc(Nc2ccc([NH+]3CCCCC3)cc2)n1 ZINC000049657875 617681781 /nfs/dbraw/zinc/68/17/81/617681781.db2.gz RHAOMXVAJKSACN-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCCOC(C)C)c1O ZINC000255363743 618221045 /nfs/dbraw/zinc/22/10/45/618221045.db2.gz CVILVWZZLPMXHH-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO CCOc1ccc(C[N@H+](CCC#N)CC(C)C)o1 ZINC000891464180 618227692 /nfs/dbraw/zinc/22/76/92/618227692.db2.gz CWIABEYZNFFTKH-UHFFFAOYSA-N 1 2 250.342 3.050 20 30 CGEDLO CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)o1 ZINC000891464180 618227695 /nfs/dbraw/zinc/22/76/95/618227695.db2.gz CWIABEYZNFFTKH-UHFFFAOYSA-N 1 2 250.342 3.050 20 30 CGEDLO Cc1ccoc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000255377295 618242666 /nfs/dbraw/zinc/24/26/66/618242666.db2.gz LEDKGWQWOXEZSI-WAYWQWQTSA-N 1 2 252.273 3.132 20 30 CGEDLO CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)C[C@@H](C)C#N ZINC000066424467 618850169 /nfs/dbraw/zinc/85/01/69/618850169.db2.gz OCYYOFGMPBSRHN-ZDUSSCGKSA-N 1 2 284.359 3.083 20 30 CGEDLO CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)C[C@@H](C)C#N ZINC000066424467 618850172 /nfs/dbraw/zinc/85/01/72/618850172.db2.gz OCYYOFGMPBSRHN-ZDUSSCGKSA-N 1 2 284.359 3.083 20 30 CGEDLO CC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C[C@@H](C)C#N ZINC000066424463 618850298 /nfs/dbraw/zinc/85/02/98/618850298.db2.gz LNMVWLLDOWIWTH-LBPRGKRZSA-N 1 2 298.386 3.391 20 30 CGEDLO CC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C[C@@H](C)C#N ZINC000066424463 618850300 /nfs/dbraw/zinc/85/03/00/618850300.db2.gz LNMVWLLDOWIWTH-LBPRGKRZSA-N 1 2 298.386 3.391 20 30 CGEDLO C[C@H](C#N)Oc1ccccc1NCc1cccc2[nH+]ccn21 ZINC000181128511 619022492 /nfs/dbraw/zinc/02/24/92/619022492.db2.gz UBSLLKLZNDHFNT-CYBMUJFWSA-N 1 2 292.342 3.237 20 30 CGEDLO C=C[C@H](Cc1ccccc1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000893450103 619178247 /nfs/dbraw/zinc/17/82/47/619178247.db2.gz JDULVYKAPUJVFL-GOEBONIOSA-N 1 2 284.359 3.175 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000093582329 619204914 /nfs/dbraw/zinc/20/49/14/619204914.db2.gz IQRKEGOFYUGZIU-LBPRGKRZSA-N 1 2 287.388 3.066 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000093582329 619204917 /nfs/dbraw/zinc/20/49/17/619204917.db2.gz IQRKEGOFYUGZIU-LBPRGKRZSA-N 1 2 287.388 3.066 20 30 CGEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000893973929 619343340 /nfs/dbraw/zinc/34/33/40/619343340.db2.gz ZVUDNMYUSBBGIV-GHMZBOCLSA-N 1 2 278.400 3.346 20 30 CGEDLO C=CCOc1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000894895724 619673553 /nfs/dbraw/zinc/67/35/53/619673553.db2.gz IRMNWECQCZWWPX-UHFFFAOYSA-N 1 2 271.282 3.246 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000178967849 619720636 /nfs/dbraw/zinc/72/06/36/619720636.db2.gz IDWNGCVPKCYKHS-BQYQJAHWSA-N 1 2 293.282 3.139 20 30 CGEDLO CSc1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000895133187 619746312 /nfs/dbraw/zinc/74/63/12/619746312.db2.gz DOADJRLHULFBPL-UHFFFAOYSA-N 1 2 250.367 3.175 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)Cc1ccns1 ZINC000895453547 619830353 /nfs/dbraw/zinc/83/03/53/619830353.db2.gz MMKVRVYENQLTKM-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1ccns1 ZINC000895453547 619830356 /nfs/dbraw/zinc/83/03/56/619830356.db2.gz MMKVRVYENQLTKM-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000896503652 620018109 /nfs/dbraw/zinc/01/81/09/620018109.db2.gz OMTFXLBCTVYXEY-HNNXBMFYSA-N 1 2 294.358 3.004 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000896503652 620018112 /nfs/dbraw/zinc/01/81/12/620018112.db2.gz OMTFXLBCTVYXEY-HNNXBMFYSA-N 1 2 294.358 3.004 20 30 CGEDLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896502891 620018289 /nfs/dbraw/zinc/01/82/89/620018289.db2.gz KUASOWJTBWPSFB-CQSZACIVSA-N 1 2 280.375 3.121 20 30 CGEDLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896502891 620018292 /nfs/dbraw/zinc/01/82/92/620018292.db2.gz KUASOWJTBWPSFB-CQSZACIVSA-N 1 2 280.375 3.121 20 30 CGEDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896506302 620019013 /nfs/dbraw/zinc/01/90/13/620019013.db2.gz ROQWTPONERABGK-OICCZTGUSA-N 1 2 269.392 3.001 20 30 CGEDLO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896506302 620019014 /nfs/dbraw/zinc/01/90/14/620019014.db2.gz ROQWTPONERABGK-OICCZTGUSA-N 1 2 269.392 3.001 20 30 CGEDLO CCCCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897202406 620159820 /nfs/dbraw/zinc/15/98/20/620159820.db2.gz WUHGQKJGPDXIEV-UHFFFAOYSA-N 1 2 279.428 3.403 20 30 CGEDLO C[C@H](CC(C)(C)C#N)[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC000898524939 620595832 /nfs/dbraw/zinc/59/58/32/620595832.db2.gz UQYHUBAFFDIDBC-GFCCVEGCSA-N 1 2 288.382 3.235 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H]2CCC3(CCC3)O2)c1 ZINC000899227999 620627566 /nfs/dbraw/zinc/62/75/66/620627566.db2.gz WPFHDIKSPPXLFX-IIMQCXAKSA-N 1 2 289.375 3.312 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H](COC)C(C)C)c1O ZINC000899228059 620627662 /nfs/dbraw/zinc/62/76/62/620627662.db2.gz XLRIWUPVOZIXBW-VEJKBTLKSA-N 1 2 279.380 3.128 20 30 CGEDLO COc1cccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901418194 620881519 /nfs/dbraw/zinc/88/15/19/620881519.db2.gz ZBKBOLCJZKHEDP-FPLPWBNLSA-N 1 2 270.332 3.369 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccccc2[C@H]1C ZINC000901505371 620904733 /nfs/dbraw/zinc/90/47/33/620904733.db2.gz APFDEPIXGFXLPO-SHLUWWQESA-N 1 2 252.317 3.286 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1O ZINC000901510277 620907810 /nfs/dbraw/zinc/90/78/10/620907810.db2.gz AUSYQLFYBUNWEI-AATRIKPKSA-N 1 2 286.331 3.074 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccc(OC)cc2C[C@H]1C ZINC000901577502 620943983 /nfs/dbraw/zinc/94/39/83/620943983.db2.gz AMYGEUCAHIGCTG-UDPFGDFPSA-N 1 2 296.370 3.370 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc(O)ccc1F ZINC000903109479 621583204 /nfs/dbraw/zinc/58/32/04/621583204.db2.gz PRHWNHWFXYMPQI-LLVKDONJSA-N 1 2 262.328 3.266 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1cccc(C#N)c1O ZINC000903387299 621726834 /nfs/dbraw/zinc/72/68/34/621726834.db2.gz GQVSFDYGCRBPFU-IUODEOHRSA-N 1 2 286.375 3.016 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CC1C[C@H]2CC[C@@H](C1)S2 ZINC000905003573 622027675 /nfs/dbraw/zinc/02/76/75/622027675.db2.gz YCQVATKPDYQEJY-FLDKAILASA-N 1 2 261.390 3.485 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)OC ZINC000905764967 622108310 /nfs/dbraw/zinc/10/83/10/622108310.db2.gz WISIBKCEAMHPKF-BPUTZDHNSA-N 1 2 291.366 3.169 20 30 CGEDLO C[C@H](C#N)Oc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1 ZINC000150908212 622693713 /nfs/dbraw/zinc/69/37/13/622693713.db2.gz OVLIUEXBPGBAOS-CYBMUJFWSA-N 1 2 296.374 3.051 20 30 CGEDLO Cc1cccn2c(/C=C3\Cc4c(cccc4O)C3=O)c[nH+]c12 ZINC000172691706 623271211 /nfs/dbraw/zinc/27/12/11/623271211.db2.gz RJALYQGLMSLNDY-XYOKQWHBSA-N 1 2 290.322 3.171 20 30 CGEDLO Nc1nc2c(s1)C(=[NH+]OC1CCCCC1)CCC2 ZINC000814910260 623645396 /nfs/dbraw/zinc/64/53/96/623645396.db2.gz SHTBSBQDSWEQJQ-UHFFFAOYSA-N 1 2 265.382 3.115 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993775147 624061838 /nfs/dbraw/zinc/06/18/38/624061838.db2.gz NKDSPIVKXKJBHO-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993775147 624061840 /nfs/dbraw/zinc/06/18/40/624061840.db2.gz NKDSPIVKXKJBHO-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)s1 ZINC000916269177 624133975 /nfs/dbraw/zinc/13/39/75/624133975.db2.gz WRZDLMGMYUVFSA-UHFFFAOYSA-N 1 2 290.348 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175307738 624630062 /nfs/dbraw/zinc/63/00/62/624630062.db2.gz FUPSSFQOKYYGFK-OAHLLOKOSA-N 1 2 292.810 3.023 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175307738 624630064 /nfs/dbraw/zinc/63/00/64/624630064.db2.gz FUPSSFQOKYYGFK-OAHLLOKOSA-N 1 2 292.810 3.023 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OCc1cccc(Cl)c1 ZINC000108038685 625847041 /nfs/dbraw/zinc/84/70/41/625847041.db2.gz VACGEGGPDUVJPE-UHFFFAOYSA-N 1 2 274.751 3.372 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)o1 ZINC000922103480 625970182 /nfs/dbraw/zinc/97/01/82/625970182.db2.gz YWHKVEAHBWBLPM-ZDUSSCGKSA-N 1 2 269.348 3.322 20 30 CGEDLO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)ccc1C#N ZINC000922521731 626010658 /nfs/dbraw/zinc/01/06/58/626010658.db2.gz XWSVRXVMUYFBRA-AEFFLSMTSA-N 1 2 296.345 3.428 20 30 CGEDLO C=C1CCC(CNC(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000922783871 626045778 /nfs/dbraw/zinc/04/57/78/626045778.db2.gz VUMGECSPENKPRU-UHFFFAOYSA-N 1 2 287.407 3.244 20 30 CGEDLO N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000839052583 626301762 /nfs/dbraw/zinc/30/17/62/626301762.db2.gz HHZWGMODROTRBX-CJNGLKHVSA-N 1 2 295.342 3.111 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CC2(CC(F)C2)C1 ZINC000839140116 626322330 /nfs/dbraw/zinc/32/23/30/626322330.db2.gz NWCMWIZIVPKNDB-UHFFFAOYSA-N 1 2 293.769 3.286 20 30 CGEDLO C#CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)c1ccccc1 ZINC000756953881 626743012 /nfs/dbraw/zinc/74/30/12/626743012.db2.gz UJOLHZAINDJHEE-OAHLLOKOSA-N 1 2 276.343 3.443 20 30 CGEDLO C#CC[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000758036649 626823398 /nfs/dbraw/zinc/82/33/98/626823398.db2.gz JNQYVSRFYPXLFI-MRXNPFEDSA-N 1 2 292.386 3.475 20 30 CGEDLO C#CC[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccccc1 ZINC000758036649 626823400 /nfs/dbraw/zinc/82/34/00/626823400.db2.gz JNQYVSRFYPXLFI-MRXNPFEDSA-N 1 2 292.386 3.475 20 30 CGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc(N)cc1C ZINC000758094089 626827074 /nfs/dbraw/zinc/82/70/74/626827074.db2.gz OVDYGWVQXVDDPJ-UHFFFAOYSA-N 1 2 284.319 3.322 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N)cc1C ZINC000758118924 626828056 /nfs/dbraw/zinc/82/80/56/626828056.db2.gz VOLKTTYVIPITIW-UHFFFAOYSA-N 1 2 274.755 3.462 20 30 CGEDLO CC(C)(C/[NH+]=C\c1ccccc1O)[C@H]1CCCCO1 ZINC000758359055 626838909 /nfs/dbraw/zinc/83/89/09/626838909.db2.gz NILHYVKEPMRBLO-QJISPJEISA-N 1 2 261.365 3.406 20 30 CGEDLO CC(C)c1[nH+]c(C=NOCC(F)F)c2ccccn21 ZINC000758900555 626864453 /nfs/dbraw/zinc/86/44/53/626864453.db2.gz XRUJWDVAEOCLBD-UHFFFAOYSA-N 1 2 267.279 3.073 20 30 CGEDLO NC(=[NH+]OC/C(Cl)=C/Cl)c1ccc(Cl)cc1 ZINC000763171776 627143547 /nfs/dbraw/zinc/14/35/47/627143547.db2.gz OYPIAOXCVOBVSE-UITAMQMPSA-N 1 2 279.554 3.296 20 30 CGEDLO C#CC[N@@H+](Cc1c(F)cccc1N1CCCC1)C1CC1 ZINC000764684600 627218568 /nfs/dbraw/zinc/21/85/68/627218568.db2.gz ZHQMJMLMSWWCKE-UHFFFAOYSA-N 1 2 272.367 3.024 20 30 CGEDLO C#CC[N@H+](Cc1c(F)cccc1N1CCCC1)C1CC1 ZINC000764684600 627218570 /nfs/dbraw/zinc/21/85/70/627218570.db2.gz ZHQMJMLMSWWCKE-UHFFFAOYSA-N 1 2 272.367 3.024 20 30 CGEDLO C[C@]1(C/[NH+]=C/c2ccccc2O)CCO[C@H]1C1CC1 ZINC000767339107 627398790 /nfs/dbraw/zinc/39/87/90/627398790.db2.gz SVHRMNPHMYJQOE-UNTIMAPOSA-N 1 2 259.349 3.016 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000769961211 627593168 /nfs/dbraw/zinc/59/31/68/627593168.db2.gz QADZWVSISMNLET-HNNXBMFYSA-N 1 2 292.382 3.246 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000769961211 627593169 /nfs/dbraw/zinc/59/31/69/627593169.db2.gz QADZWVSISMNLET-HNNXBMFYSA-N 1 2 292.382 3.246 20 30 CGEDLO C[C@@H](NN=Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000771101175 627682777 /nfs/dbraw/zinc/68/27/77/627682777.db2.gz QREZVRHKFVASKT-CYBMUJFWSA-N 1 2 264.332 3.019 20 30 CGEDLO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000774878656 628046913 /nfs/dbraw/zinc/04/69/13/628046913.db2.gz VTFBOJFZJVKUSA-LLVKDONJSA-N 1 2 281.197 3.492 20 30 CGEDLO Cc1cc(Br)cc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000774878656 628046919 /nfs/dbraw/zinc/04/69/19/628046919.db2.gz VTFBOJFZJVKUSA-LLVKDONJSA-N 1 2 281.197 3.492 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000776104784 628167241 /nfs/dbraw/zinc/16/72/41/628167241.db2.gz KXGMNNFDDRRZIZ-HOTGVXAUSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000776104784 628167242 /nfs/dbraw/zinc/16/72/42/628167242.db2.gz KXGMNNFDDRRZIZ-HOTGVXAUSA-N 1 2 291.366 3.298 20 30 CGEDLO CC[N@H+](C)[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 ZINC000776385099 628202377 /nfs/dbraw/zinc/20/23/77/628202377.db2.gz CPPKZXBBVJDDTK-HNNXBMFYSA-N 1 2 288.391 3.162 20 30 CGEDLO CC[N@@H+](C)[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 ZINC000776385099 628202381 /nfs/dbraw/zinc/20/23/81/628202381.db2.gz CPPKZXBBVJDDTK-HNNXBMFYSA-N 1 2 288.391 3.162 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000779157472 628391732 /nfs/dbraw/zinc/39/17/32/628391732.db2.gz XYUMXGLJKNSSRW-UHFFFAOYSA-N 1 2 288.778 3.088 20 30 CGEDLO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)c(Cl)c1O ZINC000779810841 628433840 /nfs/dbraw/zinc/43/38/40/628433840.db2.gz JMQYVYDNIHHQLQ-UHFFFAOYSA-N 1 2 296.157 3.352 20 30 CGEDLO CC1(C)CCC[C@H]1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782287491 628634229 /nfs/dbraw/zinc/63/42/29/628634229.db2.gz MJKCYOSPPQBSCZ-MRXNPFEDSA-N 1 2 282.391 3.375 20 30 CGEDLO CC(=[NH+]O[C@H]1CCCCO1)c1ccc(N)cc1Cl ZINC000782908915 628667580 /nfs/dbraw/zinc/66/75/80/628667580.db2.gz XIPZAGCJAZBANR-ZDUSSCGKSA-N 1 2 268.744 3.189 20 30 CGEDLO Cc1cc(CO[NH+]=C(N)c2ccc(Cl)cc2)ccc1C#N ZINC000783010849 628672227 /nfs/dbraw/zinc/67/22/27/628672227.db2.gz QXPUEXVXMBXEIL-UHFFFAOYSA-N 1 2 299.761 3.357 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000783683889 628739542 /nfs/dbraw/zinc/73/95/42/628739542.db2.gz BKDQAUWWVMIYCU-JXZQLDPRSA-N 1 2 291.391 3.415 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccncc1 ZINC000783696048 628740650 /nfs/dbraw/zinc/74/06/50/628740650.db2.gz DGMDZTJQJLTQAC-OWOJBTEDSA-N 1 2 281.340 3.225 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784008728 628764656 /nfs/dbraw/zinc/76/46/56/628764656.db2.gz HTESSTNUWCNPQP-CQSZACIVSA-N 1 2 292.452 3.154 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@@H]2CC=CCC2)c1=S ZINC000784008728 628764659 /nfs/dbraw/zinc/76/46/59/628764659.db2.gz HTESSTNUWCNPQP-CQSZACIVSA-N 1 2 292.452 3.154 20 30 CGEDLO C#CCC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCCCC1 ZINC000788446794 629053146 /nfs/dbraw/zinc/05/31/46/629053146.db2.gz BEYIZYZLXBTMCZ-UHFFFAOYSA-N 1 2 281.359 3.247 20 30 CGEDLO COc1cc(Cl)c(C=NNc2[nH+]ccn2C)cc1Cl ZINC000790300482 629201532 /nfs/dbraw/zinc/20/15/32/629201532.db2.gz YZIJAOVMHMKKRL-UHFFFAOYSA-N 1 2 299.161 3.182 20 30 CGEDLO C#CCC(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791448090 629279344 /nfs/dbraw/zinc/27/93/44/629279344.db2.gz QMPUZNYGGLZWRU-UHFFFAOYSA-N 1 2 296.370 3.273 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000862441763 629374705 /nfs/dbraw/zinc/37/47/05/629374705.db2.gz VQEPYMFZXXWTIH-LLVKDONJSA-N 1 2 251.757 3.444 20 30 CGEDLO C=CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000862441763 629374707 /nfs/dbraw/zinc/37/47/07/629374707.db2.gz VQEPYMFZXXWTIH-LLVKDONJSA-N 1 2 251.757 3.444 20 30 CGEDLO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862445428 629379151 /nfs/dbraw/zinc/37/91/51/629379151.db2.gz SZDNXVPOYBQZRU-JTQLQIEISA-N 1 2 267.731 3.030 20 30 CGEDLO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862445428 629379168 /nfs/dbraw/zinc/37/91/68/629379168.db2.gz SZDNXVPOYBQZRU-JTQLQIEISA-N 1 2 267.731 3.030 20 30 CGEDLO CCO[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794490701 629547051 /nfs/dbraw/zinc/54/70/51/629547051.db2.gz WOYSRNFUAUNCFJ-UHFFFAOYSA-N 1 2 260.259 3.142 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2coc(C(C)C)n2)[nH+]c1C ZINC000864087366 629763624 /nfs/dbraw/zinc/76/36/24/629763624.db2.gz TXWYCCPQCBEBPZ-AATRIKPKSA-N 1 2 259.309 3.034 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000796631635 629807484 /nfs/dbraw/zinc/80/74/84/629807484.db2.gz FYKPUSBSSIKDOI-UHFFFAOYSA-N 1 2 280.327 3.230 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000796631635 629807487 /nfs/dbraw/zinc/80/74/87/629807487.db2.gz FYKPUSBSSIKDOI-UHFFFAOYSA-N 1 2 280.327 3.230 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCCOC2)c1 ZINC000864344816 629814071 /nfs/dbraw/zinc/81/40/71/629814071.db2.gz HOISXPJSLSTLPK-MFVBVHDHSA-N 1 2 277.364 3.027 20 30 CGEDLO C=C(Cl)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797531349 629956785 /nfs/dbraw/zinc/95/67/85/629956785.db2.gz VMMSRPDFPKTZOG-UHFFFAOYSA-N 1 2 287.794 3.274 20 30 CGEDLO C=C(Cl)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797531349 629956787 /nfs/dbraw/zinc/95/67/87/629956787.db2.gz VMMSRPDFPKTZOG-UHFFFAOYSA-N 1 2 287.794 3.274 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000799720971 630224993 /nfs/dbraw/zinc/22/49/93/630224993.db2.gz OTVWJGJPAOUYEP-DZGCQCFKSA-N 1 2 255.365 3.391 20 30 CGEDLO COC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000809577754 630753004 /nfs/dbraw/zinc/75/30/04/630753004.db2.gz BWBSEDXKVFJIFC-HNNXBMFYSA-N 1 2 294.345 3.326 20 30 CGEDLO CC(C)OCCON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000812240574 631230391 /nfs/dbraw/zinc/23/03/91/631230391.db2.gz VKTZDCVDXILSJV-UHFFFAOYSA-N 1 2 289.379 3.233 20 30 CGEDLO CC(=[NH+]OCc1ccccc1)c1cc(F)c(N)c(F)c1 ZINC000814792783 631640421 /nfs/dbraw/zinc/64/04/21/631640421.db2.gz SMASKAPROTYVHO-UHFFFAOYSA-N 1 2 276.286 3.488 20 30 CGEDLO CC(C)CO[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814884053 631663896 /nfs/dbraw/zinc/66/38/96/631663896.db2.gz MPZJKFPMYQXLPI-UHFFFAOYSA-N 1 2 267.398 3.074 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccc2ccccc2c1O ZINC000816491185 631991267 /nfs/dbraw/zinc/99/12/67/631991267.db2.gz BRIJYNAVHKSECN-UHFFFAOYSA-N 1 2 299.370 3.097 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2cc(Cl)nc(Cl)c2)cn1C ZINC000819828911 632527728 /nfs/dbraw/zinc/52/77/28/632527728.db2.gz UQRDEKHMJUXNMB-UHFFFAOYSA-N 1 2 298.177 3.266 20 30 CGEDLO Nc1ccc(/C=C\C(=O)c2cccc(Cl)c2)c[nH+]1 ZINC000821027769 632714285 /nfs/dbraw/zinc/71/42/85/632714285.db2.gz KQZFCVQNSATQSF-XQRVVYSFSA-N 1 2 258.708 3.213 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1O ZINC000866307215 633075158 /nfs/dbraw/zinc/07/51/58/633075158.db2.gz USSHOJZSDXLMIH-OCCSQVGLSA-N 1 2 286.375 3.016 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000829914865 633809082 /nfs/dbraw/zinc/80/90/82/633809082.db2.gz ARPHEMDJFYHGSR-AWEZNQCLSA-N 1 2 287.407 3.087 20 30 CGEDLO Cc1cccc(C#N)c1SCCCn1cc[nH+]c1 ZINC000871691703 633827258 /nfs/dbraw/zinc/82/72/58/633827258.db2.gz VXMPBVIKOKUOJM-UHFFFAOYSA-N 1 2 257.362 3.246 20 30 CGEDLO C#CC[N@@H+](Cc1cccnc1Br)C1CCCC1 ZINC000876784731 634898883 /nfs/dbraw/zinc/89/88/83/634898883.db2.gz NEHIXZYBXKYKSK-UHFFFAOYSA-N 1 2 293.208 3.222 20 30 CGEDLO C#CC[N@H+](Cc1cccnc1Br)C1CCCC1 ZINC000876784731 634898886 /nfs/dbraw/zinc/89/88/86/634898886.db2.gz NEHIXZYBXKYKSK-UHFFFAOYSA-N 1 2 293.208 3.222 20 30 CGEDLO CCC1(C/[NH+]=C/c2c(O)ccc3ccccc32)COC1 ZINC000840711301 635039913 /nfs/dbraw/zinc/03/99/13/635039913.db2.gz YHOJSRCGQQLTSZ-GIJQJNRQSA-N 1 2 269.344 3.391 20 30 CGEDLO C#C[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC000879605723 635818930 /nfs/dbraw/zinc/81/89/30/635818930.db2.gz MUNMFHSEHMTFGD-ZDUSSCGKSA-N 1 2 273.380 3.176 20 30 CGEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000844418216 635895472 /nfs/dbraw/zinc/89/54/72/635895472.db2.gz XHDUOBRKPAJNQT-QWHCGFSZSA-N 1 2 283.331 3.010 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC000847045290 636321823 /nfs/dbraw/zinc/32/18/23/636321823.db2.gz LKVCKWCMDJNTFV-GFCCVEGCSA-N 1 2 267.159 3.068 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC000847045290 636321826 /nfs/dbraw/zinc/32/18/26/636321826.db2.gz LKVCKWCMDJNTFV-GFCCVEGCSA-N 1 2 267.159 3.068 20 30 CGEDLO CCCC(=NNCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000848416493 636571696 /nfs/dbraw/zinc/57/16/96/636571696.db2.gz NDIXNRFSCCOUND-CYBMUJFWSA-N 1 2 262.401 3.065 20 30 CGEDLO c1cn(CCCNN=C2C[C@H]3CCCc4cccc2c43)c[nH+]1 ZINC000848417654 636573340 /nfs/dbraw/zinc/57/33/40/636573340.db2.gz CNMQYCLLRDXAOO-OAHLLOKOSA-N 1 2 294.402 3.091 20 30 CGEDLO C[C@H](CCc1cccn1C)/[NH+]=C/c1ccccc1O ZINC000132355247 636802272 /nfs/dbraw/zinc/80/22/72/636802272.db2.gz ZNLFHNOZNTWUOY-LVLBFHFTSA-N 1 2 256.349 3.171 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(F)c1 ZINC000133156228 636876811 /nfs/dbraw/zinc/87/68/11/636876811.db2.gz MSSLUVDYFUQXDV-BQYQJAHWSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C)nc1Cl)[C@@H](C)COC ZINC000852356383 637641847 /nfs/dbraw/zinc/64/18/47/637641847.db2.gz CQVCDPIAQADUIV-LBPRGKRZSA-N 1 2 268.788 3.066 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C)nc1Cl)[C@@H](C)COC ZINC000852356383 637641848 /nfs/dbraw/zinc/64/18/48/637641848.db2.gz CQVCDPIAQADUIV-LBPRGKRZSA-N 1 2 268.788 3.066 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000852632213 637687098 /nfs/dbraw/zinc/68/70/98/637687098.db2.gz RGGZBZLAPSMKTA-UHFFFAOYSA-N 1 2 286.350 3.033 20 30 CGEDLO C#CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000111242923 637820024 /nfs/dbraw/zinc/82/00/24/637820024.db2.gz RDKBLJITYOYLRL-MRXNPFEDSA-N 1 2 283.350 3.376 20 30 CGEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000111242923 637820027 /nfs/dbraw/zinc/82/00/27/637820027.db2.gz RDKBLJITYOYLRL-MRXNPFEDSA-N 1 2 283.350 3.376 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)C[C@H](C)O ZINC000853375387 637826711 /nfs/dbraw/zinc/82/67/11/637826711.db2.gz NBNLWLUSXBFCKQ-AWEZNQCLSA-N 1 2 290.407 3.083 20 30 CGEDLO c1cn(CCCNN=C2CCC(=C3CCC3)CC2)c[nH+]1 ZINC000853372675 637826816 /nfs/dbraw/zinc/82/68/16/637826816.db2.gz UMWMVWNQTQGWSF-UHFFFAOYSA-N 1 2 272.396 3.273 20 30 CGEDLO CC(C)n1ccn(C[N@@H+]2CCC[C@@H](CC#N)C2)c1=S ZINC000853525244 637861931 /nfs/dbraw/zinc/86/19/31/637861931.db2.gz CMRZQLFODGFRQI-ZDUSSCGKSA-N 1 2 278.425 3.183 20 30 CGEDLO CC(C)n1ccn(C[N@H+]2CCC[C@@H](CC#N)C2)c1=S ZINC000853525244 637861934 /nfs/dbraw/zinc/86/19/34/637861934.db2.gz CMRZQLFODGFRQI-ZDUSSCGKSA-N 1 2 278.425 3.183 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CS[C@@H](C)C1 ZINC000853690608 637893494 /nfs/dbraw/zinc/89/34/94/637893494.db2.gz SUVHGWYVTLCHAO-STQMWFEESA-N 1 2 276.405 3.180 20 30 CGEDLO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000924917001 638424222 /nfs/dbraw/zinc/42/42/22/638424222.db2.gz OLFOQJJDWASMOY-BBRMVZONSA-N 1 2 289.423 3.035 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(C#N)c1O ZINC000925095688 638450160 /nfs/dbraw/zinc/45/01/60/638450160.db2.gz KTWITCSNPLPLJA-GWCFXTLKSA-N 1 2 264.394 3.056 20 30 CGEDLO CC[C@@H]([NH2+]CCOC(C)(C)C)c1cccc(C#N)c1O ZINC000925777181 638607899 /nfs/dbraw/zinc/60/78/99/638607899.db2.gz CAAPKGRPRUJNPP-CQSZACIVSA-N 1 2 276.380 3.120 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000858378146 638697487 /nfs/dbraw/zinc/69/74/87/638697487.db2.gz GMEMWVMFHYJBQH-AWEZNQCLSA-N 1 2 298.411 3.322 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000858380403 638697544 /nfs/dbraw/zinc/69/75/44/638697544.db2.gz ZISXKHIKHRQSMS-ZDUSSCGKSA-N 1 2 287.363 3.321 20 30 CGEDLO CC[C@@H](C#N)Oc1cccc(CNc2[nH+]cccc2OC)c1 ZINC000858411245 638707888 /nfs/dbraw/zinc/70/78/88/638707888.db2.gz LZGDRIRTEPPCQO-AWEZNQCLSA-N 1 2 297.358 3.383 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1O ZINC000926222758 638745242 /nfs/dbraw/zinc/74/52/42/638745242.db2.gz UDRAIFMZKIGXIS-DZGCQCFKSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@@H]([NH2+]CCC1(OC)CCC1)c1cccc(C#N)c1O ZINC000926483299 638775967 /nfs/dbraw/zinc/77/59/67/638775967.db2.gz VVFLXBBIUOTGRJ-OAHLLOKOSA-N 1 2 288.391 3.264 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CCC1 ZINC000926627520 638791841 /nfs/dbraw/zinc/79/18/41/638791841.db2.gz PFUDPCJUWSDSBY-CYBMUJFWSA-N 1 2 275.783 3.396 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)c1cccc(C#N)c1O ZINC000926702305 638800840 /nfs/dbraw/zinc/80/08/40/638800840.db2.gz AYHKKKJAGSEPMT-BJJXKVORSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1O ZINC000926744994 638806142 /nfs/dbraw/zinc/80/61/42/638806142.db2.gz OZDHJWWFIJTZBX-OAHLLOKOSA-N 1 2 256.349 3.271 20 30 CGEDLO C=C/C=C\CC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926842190 638816692 /nfs/dbraw/zinc/81/66/92/638816692.db2.gz BWDYQUOWICAOCE-YVACAVLKSA-N 1 2 256.349 3.437 20 30 CGEDLO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(C#N)c1O ZINC000926880864 638820599 /nfs/dbraw/zinc/82/05/99/638820599.db2.gz QQGLWAKVBQIFBR-HNNXBMFYSA-N 1 2 283.375 3.389 20 30 CGEDLO Cc1cc(C)nc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000929691581 638941920 /nfs/dbraw/zinc/94/19/20/638941920.db2.gz CTYXPGFNRCCFQQ-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cc1cc(C)nc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000929691581 638941921 /nfs/dbraw/zinc/94/19/21/638941921.db2.gz CTYXPGFNRCCFQQ-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO C#CC[C@@H](COC)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000858859684 639031294 /nfs/dbraw/zinc/03/12/94/639031294.db2.gz AQBLDLYOZVAENS-ZDUSSCGKSA-N 1 2 275.396 3.174 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000930820387 639072291 /nfs/dbraw/zinc/07/22/91/639072291.db2.gz NZUDBZJVYZRVBX-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000930820387 639072296 /nfs/dbraw/zinc/07/22/96/639072296.db2.gz NZUDBZJVYZRVBX-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C=C(Br)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000859411833 639136987 /nfs/dbraw/zinc/13/69/87/639136987.db2.gz NSXUUTSDZDHSNU-HTQZYQBOSA-N 1 2 268.145 3.118 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000859938465 639258089 /nfs/dbraw/zinc/25/80/89/639258089.db2.gz WQSVRQZMAGMOEO-UHFFFAOYSA-N 1 2 294.354 3.113 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000859938465 639258091 /nfs/dbraw/zinc/25/80/91/639258091.db2.gz WQSVRQZMAGMOEO-UHFFFAOYSA-N 1 2 294.354 3.113 20 30 CGEDLO CC[C@@H](OCC[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932152880 639276547 /nfs/dbraw/zinc/27/65/47/639276547.db2.gz UZCYVWSVRFUPLT-DOTOQJQBSA-N 1 2 272.392 3.390 20 30 CGEDLO CC[C@@H](OCC[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932152880 639276558 /nfs/dbraw/zinc/27/65/58/639276558.db2.gz UZCYVWSVRFUPLT-DOTOQJQBSA-N 1 2 272.392 3.390 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000932352830 639319827 /nfs/dbraw/zinc/31/98/27/639319827.db2.gz UGRKOKQAASQSJD-HNNXBMFYSA-N 1 2 298.777 3.243 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccncc1C#N)c1cc(F)ccc1OC ZINC000932470030 639339112 /nfs/dbraw/zinc/33/91/12/639339112.db2.gz SWEAINWVKCRIJT-INIZCTEOSA-N 1 2 299.349 3.342 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccoc2)C2CC2)c([N+](=O)[O-])c1 ZINC000934003815 639521423 /nfs/dbraw/zinc/52/14/23/639521423.db2.gz LDEJXTPFDRTRHB-UHFFFAOYSA-N 1 2 297.314 3.224 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)c([N+](=O)[O-])c1 ZINC000934003815 639521437 /nfs/dbraw/zinc/52/14/37/639521437.db2.gz LDEJXTPFDRTRHB-UHFFFAOYSA-N 1 2 297.314 3.224 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016376197 640998583 /nfs/dbraw/zinc/99/85/83/640998583.db2.gz RYQSWQCUCFMIEI-RUXDESIVSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016376197 640998595 /nfs/dbraw/zinc/99/85/95/640998595.db2.gz RYQSWQCUCFMIEI-RUXDESIVSA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1c[nH+]c(NC[C@@H](C)c2ccc(O)cc2)c(/C=N/O)c1 ZINC001158607779 805974409 /nfs/dbraw/zinc/97/44/09/805974409.db2.gz QROILNUGMAQAKA-AINDZBIGSA-N 1 2 285.347 3.119 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@H+](C)Cc1ncccn1 ZINC001252122080 806009687 /nfs/dbraw/zinc/00/96/87/806009687.db2.gz PQDDDBRCKDJJGK-OAHLLOKOSA-N 1 2 279.428 3.020 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001252122080 806009695 /nfs/dbraw/zinc/00/96/95/806009695.db2.gz PQDDDBRCKDJJGK-OAHLLOKOSA-N 1 2 279.428 3.020 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1[nH+]c[nH]c1C ZINC001253233962 806188466 /nfs/dbraw/zinc/18/84/66/806188466.db2.gz QZACENLHENQSIU-ZDUSSCGKSA-N 1 2 251.374 3.018 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001255164526 806562531 /nfs/dbraw/zinc/56/25/31/806562531.db2.gz KXWVZCWMUGQICX-ZIAGYGMSSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001255164526 806562535 /nfs/dbraw/zinc/56/25/35/806562535.db2.gz KXWVZCWMUGQICX-ZIAGYGMSSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255175495 806569005 /nfs/dbraw/zinc/56/90/05/806569005.db2.gz POGOSPQQTXFCLN-CHWSQXEVSA-N 1 2 276.384 3.065 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255175495 806569012 /nfs/dbraw/zinc/56/90/12/806569012.db2.gz POGOSPQQTXFCLN-CHWSQXEVSA-N 1 2 276.384 3.065 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\C[C@H]1CCCOC1 ZINC000126978164 799010798 /nfs/dbraw/zinc/01/07/98/799010798.db2.gz OPVMBGFGGCFSNP-NCUBORBFSA-N 1 2 269.344 3.391 20 30 CGEDLO Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001255787418 806751120 /nfs/dbraw/zinc/75/11/20/806751120.db2.gz KGZGFESZXVWBBI-BBRMVZONSA-N 1 2 287.428 3.200 20 30 CGEDLO Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001255787418 806751128 /nfs/dbraw/zinc/75/11/28/806751128.db2.gz KGZGFESZXVWBBI-BBRMVZONSA-N 1 2 287.428 3.200 20 30 CGEDLO C#CCCC1(CCNc2ccc(CSC)c[nH+]2)N=N1 ZINC001163380719 806755772 /nfs/dbraw/zinc/75/57/72/806755772.db2.gz ICMQOMUFBLMPLD-UHFFFAOYSA-N 1 2 274.393 3.322 20 30 CGEDLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC#N ZINC000425960015 799603631 /nfs/dbraw/zinc/60/36/31/799603631.db2.gz MVLLBFHKZJNDQT-ZDUSSCGKSA-N 1 2 277.387 3.311 20 30 CGEDLO Cc1cccn2c(/C=C3\Cc4cc(O)ccc4C3=O)c[nH+]c12 ZINC000588534933 799706863 /nfs/dbraw/zinc/70/68/63/799706863.db2.gz ANQQFVBLIKKDPV-MDWZMJQESA-N 1 2 290.322 3.171 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712743334 800098105 /nfs/dbraw/zinc/09/81/05/800098105.db2.gz FSUVWAKOGXHHRO-CYBMUJFWSA-N 1 2 292.345 3.360 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000712743334 800098111 /nfs/dbraw/zinc/09/81/11/800098111.db2.gz FSUVWAKOGXHHRO-CYBMUJFWSA-N 1 2 292.345 3.360 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000723743964 800337827 /nfs/dbraw/zinc/33/78/27/800337827.db2.gz PFCBTBCVNRZBMZ-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000723743964 800337836 /nfs/dbraw/zinc/33/78/36/800337836.db2.gz PFCBTBCVNRZBMZ-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115009 800831066 /nfs/dbraw/zinc/83/10/66/800831066.db2.gz UUZDFRWGZVJDJV-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115009 800831069 /nfs/dbraw/zinc/83/10/69/800831069.db2.gz UUZDFRWGZVJDJV-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C3CCCCC3)CC2)C1 ZINC001044235189 801233740 /nfs/dbraw/zinc/23/37/40/801233740.db2.gz RXZDMJCXASAZJV-UHFFFAOYSA-N 1 2 290.451 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831148 801328453 /nfs/dbraw/zinc/32/84/53/801328453.db2.gz GNKCQGAKIRFLLW-MRXNPFEDSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831148 801328462 /nfs/dbraw/zinc/32/84/62/801328462.db2.gz GNKCQGAKIRFLLW-MRXNPFEDSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001109335654 802114102 /nfs/dbraw/zinc/11/41/02/802114102.db2.gz XZGFQPCYDVVFHN-RDBSUJKOSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001109335654 802114108 /nfs/dbraw/zinc/11/41/08/802114108.db2.gz XZGFQPCYDVVFHN-RDBSUJKOSA-N 1 2 298.858 3.143 20 30 CGEDLO CCc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)o1 ZINC001117392169 802464107 /nfs/dbraw/zinc/46/41/07/802464107.db2.gz OPVIUXHGYQBOAN-VQHVLOKHSA-N 1 2 270.332 3.199 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(C(F)(F)F)c1 ZINC001201287131 811808801 /nfs/dbraw/zinc/80/88/01/811808801.db2.gz UZOOKLVXHWETSZ-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(C2=CC[C@H](C#N)CC2)cc1C#N ZINC001243793678 803011568 /nfs/dbraw/zinc/01/15/68/803011568.db2.gz NHJVPOUIRZBEFP-DZUMZMOTSA-N 1 2 278.359 3.487 20 30 CGEDLO CCOC(=[NH2+])c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244117928 803195353 /nfs/dbraw/zinc/19/53/53/803195353.db2.gz ZYBDTEBZTKFKDF-UHFFFAOYSA-N 1 2 265.316 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131834133 803350602 /nfs/dbraw/zinc/35/06/02/803350602.db2.gz JYJGRULTDNQFON-JSGCOSHPSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131834133 803350608 /nfs/dbraw/zinc/35/06/08/803350608.db2.gz JYJGRULTDNQFON-JSGCOSHPSA-N 1 2 286.847 3.144 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132325942 803395391 /nfs/dbraw/zinc/39/53/91/803395391.db2.gz AKUPYNOUVNDGOS-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132325942 803395400 /nfs/dbraw/zinc/39/54/00/803395400.db2.gz AKUPYNOUVNDGOS-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO N#Cc1c(Cl)cccc1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001244724898 803514628 /nfs/dbraw/zinc/51/46/28/803514628.db2.gz FYEKYNUBLYOJCE-UHFFFAOYSA-N 1 2 280.718 3.459 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1cccc(C#N)c1C ZINC001244817914 803535347 /nfs/dbraw/zinc/53/53/47/803535347.db2.gz KAGSZEPDXNXHRK-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO N#Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1F ZINC001245070092 803630651 /nfs/dbraw/zinc/63/06/51/803630651.db2.gz ZWLGTZFPIWVYOG-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO Cc1cccc2ncc(C[N@H+](CCC#N)C3CCCC3)n21 ZINC001137196369 803695407 /nfs/dbraw/zinc/69/54/07/803695407.db2.gz ANSNMIHDXCAXAG-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO Cc1cccc2ncc(C[N@@H+](CCC#N)C3CCCC3)n21 ZINC001137196369 803695410 /nfs/dbraw/zinc/69/54/10/803695410.db2.gz ANSNMIHDXCAXAG-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(OC)c(F)c1 ZINC001138423993 803930059 /nfs/dbraw/zinc/93/00/59/803930059.db2.gz IQMFYSUSGCTZEW-UHFFFAOYSA-N 1 2 268.307 3.099 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(OC)c(F)c1 ZINC001138423993 803930066 /nfs/dbraw/zinc/93/00/66/803930066.db2.gz IQMFYSUSGCTZEW-UHFFFAOYSA-N 1 2 268.307 3.099 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138970804 804094033 /nfs/dbraw/zinc/09/40/33/804094033.db2.gz XXZHBMHNBUZUDR-HNNXBMFYSA-N 1 2 258.365 3.067 20 30 CGEDLO CC(C)COc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138970804 804094042 /nfs/dbraw/zinc/09/40/42/804094042.db2.gz XXZHBMHNBUZUDR-HNNXBMFYSA-N 1 2 258.365 3.067 20 30 CGEDLO COC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139687723 804254489 /nfs/dbraw/zinc/25/44/89/804254489.db2.gz WVGGUZOBTRRFCE-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO COC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139687723 804254494 /nfs/dbraw/zinc/25/44/94/804254494.db2.gz WVGGUZOBTRRFCE-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(COC)s1 ZINC001139827020 804292360 /nfs/dbraw/zinc/29/23/60/804292360.db2.gz KTNIIIUHMSMGGC-UHFFFAOYSA-N 1 2 252.383 3.020 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(COC)s1 ZINC001139827020 804292361 /nfs/dbraw/zinc/29/23/61/804292361.db2.gz KTNIIIUHMSMGGC-UHFFFAOYSA-N 1 2 252.383 3.020 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC001139876359 804307323 /nfs/dbraw/zinc/30/73/23/804307323.db2.gz UCFLECWAMJYJSW-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC001139876359 804307333 /nfs/dbraw/zinc/30/73/33/804307333.db2.gz UCFLECWAMJYJSW-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453692 804439477 /nfs/dbraw/zinc/43/94/77/804439477.db2.gz IMLMAMOOJDCXOW-GFCCVEGCSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453692 804439484 /nfs/dbraw/zinc/43/94/84/804439484.db2.gz IMLMAMOOJDCXOW-GFCCVEGCSA-N 1 2 269.373 3.156 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(O)c(F)c1 ZINC001140990047 804563896 /nfs/dbraw/zinc/56/38/96/804563896.db2.gz JISYQQVZZCXYHX-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(O)c(F)c1 ZINC001140990047 804563900 /nfs/dbraw/zinc/56/39/00/804563900.db2.gz JISYQQVZZCXYHX-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CC2(C1)CCCCC2 ZINC001141166644 804604061 /nfs/dbraw/zinc/60/40/61/804604061.db2.gz BXRHCKJGUOBGEQ-UHFFFAOYSA-N 1 2 258.340 3.463 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC12CC2 ZINC001141807640 804670587 /nfs/dbraw/zinc/67/05/87/804670587.db2.gz VCXYTUFBZGOXFD-UHFFFAOYSA-N 1 2 291.192 3.449 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC12CC2 ZINC001141807640 804670594 /nfs/dbraw/zinc/67/05/94/804670594.db2.gz VCXYTUFBZGOXFD-UHFFFAOYSA-N 1 2 291.192 3.449 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2Cc3cccc(F)c3C2)cc1 ZINC001144576909 805009606 /nfs/dbraw/zinc/00/96/06/805009606.db2.gz VIVLQEUFVAMERK-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO C#Cc1ccc(C[N@H+]2Cc3cccc(F)c3C2)cc1 ZINC001144576909 805009617 /nfs/dbraw/zinc/00/96/17/805009617.db2.gz VIVLQEUFVAMERK-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(OC)c(Cl)c(F)c2F)CC1 ZINC001249805020 805253738 /nfs/dbraw/zinc/25/37/38/805253738.db2.gz WQTYQWMCAWLIIE-UHFFFAOYSA-N 1 2 299.748 3.472 20 30 CGEDLO N#Cc1cccc(Cc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001250050191 805389335 /nfs/dbraw/zinc/38/93/35/805389335.db2.gz JMDKJOLQNDSWCY-UHFFFAOYSA-N 1 2 277.249 3.145 20 30 CGEDLO C#Cc1cc(Nc2ccc(Cl)c(OC)c2F)cc[nH+]1 ZINC001212582767 815076143 /nfs/dbraw/zinc/07/61/43/815076143.db2.gz ZBTLXSOBRJMNLI-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3C[C@@H]4C[C@H]3C[C@H]4F)c2c1 ZINC001166532489 807050169 /nfs/dbraw/zinc/05/01/69/807050169.db2.gz PTLWJXRUKSBQLF-KCQAQPDRSA-N 1 2 267.307 3.043 20 30 CGEDLO N#CCCCCNc1cccc(Cc2ccncc2)[nH+]1 ZINC001168429053 807412721 /nfs/dbraw/zinc/41/27/21/807412721.db2.gz ICGBXKDUUIEJHV-UHFFFAOYSA-N 1 2 266.348 3.173 20 30 CGEDLO COc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@@H]2C#N)cc1 ZINC001258407631 807442430 /nfs/dbraw/zinc/44/24/30/807442430.db2.gz GIFXLNJKFUCFLT-GOEBONIOSA-N 1 2 272.392 3.394 20 30 CGEDLO COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@@H]2C#N)cc1 ZINC001258407631 807442434 /nfs/dbraw/zinc/44/24/34/807442434.db2.gz GIFXLNJKFUCFLT-GOEBONIOSA-N 1 2 272.392 3.394 20 30 CGEDLO C=CCC[C@@H](C)[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC001258719478 807568555 /nfs/dbraw/zinc/56/85/55/807568555.db2.gz FIFBXGWAKWITEF-CQSZACIVSA-N 1 2 287.403 3.031 20 30 CGEDLO C=CCCC1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001261749413 807781629 /nfs/dbraw/zinc/78/16/29/807781629.db2.gz GVACDQKIGAHTTN-CQSZACIVSA-N 1 2 275.396 3.087 20 30 CGEDLO CC(C)c1cc(NCCCS)nc(C(C)C)[nH+]1 ZINC001171000956 807956754 /nfs/dbraw/zinc/95/67/54/807956754.db2.gz KXMQKNBWJKQVNW-UHFFFAOYSA-N 1 2 253.415 3.455 20 30 CGEDLO Cc1cccc2c1CC[C@H]([NH2+][C@@](C)(C#N)C(C)C)C2 ZINC001171551082 808092721 /nfs/dbraw/zinc/09/27/21/808092721.db2.gz AJIRNGBOKWGPGB-RDJZCZTQSA-N 1 2 256.393 3.380 20 30 CGEDLO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172323658 808232630 /nfs/dbraw/zinc/23/26/30/808232630.db2.gz CSZNCWNXMZBSOR-ZIAGYGMSSA-N 1 2 252.402 3.396 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266327923 808243595 /nfs/dbraw/zinc/24/35/95/808243595.db2.gz OPXHDKAZPSZOTD-JSGCOSHPSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266327923 808243599 /nfs/dbraw/zinc/24/35/99/808243599.db2.gz OPXHDKAZPSZOTD-JSGCOSHPSA-N 1 2 286.847 3.002 20 30 CGEDLO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCC#N ZINC001172849839 808462377 /nfs/dbraw/zinc/46/23/77/808462377.db2.gz QHXQWLLYNRVKIV-JTQLQIEISA-N 1 2 254.736 3.256 20 30 CGEDLO C[C@@H](Cc1c(F)cccc1Cl)[N@H+](C)CCC#N ZINC001172849839 808462373 /nfs/dbraw/zinc/46/23/73/808462373.db2.gz QHXQWLLYNRVKIV-JTQLQIEISA-N 1 2 254.736 3.256 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001267667453 808467308 /nfs/dbraw/zinc/46/73/08/808467308.db2.gz XUVXDXCFXQWUCM-UHFFFAOYSA-N 1 2 292.467 3.360 20 30 CGEDLO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267792125 808493213 /nfs/dbraw/zinc/49/32/13/808493213.db2.gz UPLGJJGCNWDKGY-CQSZACIVSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267792125 808493218 /nfs/dbraw/zinc/49/32/18/808493218.db2.gz UPLGJJGCNWDKGY-CQSZACIVSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267792124 808493972 /nfs/dbraw/zinc/49/39/72/808493972.db2.gz UPLGJJGCNWDKGY-AWEZNQCLSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267792124 808493978 /nfs/dbraw/zinc/49/39/78/808493978.db2.gz UPLGJJGCNWDKGY-AWEZNQCLSA-N 1 2 284.831 3.018 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C1CCC(Oc2ccccc2)CC1 ZINC001173205114 808537593 /nfs/dbraw/zinc/53/75/93/808537593.db2.gz DCDCMBDMHCJPOR-HLIUYOAVSA-N 1 2 258.365 3.220 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(Oc2ccccc2)CC1 ZINC001173205114 808537595 /nfs/dbraw/zinc/53/75/95/808537595.db2.gz DCDCMBDMHCJPOR-HLIUYOAVSA-N 1 2 258.365 3.220 20 30 CGEDLO C=CCOC1CCC([NH2+]CC(F)(F)C(F)(F)F)CC1 ZINC001173311110 808606233 /nfs/dbraw/zinc/60/62/33/808606233.db2.gz DPORKLCDUZOWDX-UHFFFAOYSA-N 1 2 287.272 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001269078812 808645945 /nfs/dbraw/zinc/64/59/45/808645945.db2.gz TZBWQNRESOPXJY-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001269078812 808645949 /nfs/dbraw/zinc/64/59/49/808645949.db2.gz TZBWQNRESOPXJY-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO Cc1[nH]c2ccc(-n3cc(C#N)c4cc(N)ccc43)cc2[nH+]1 ZINC001213076239 815225224 /nfs/dbraw/zinc/22/52/24/815225224.db2.gz MTZCAUUHNKYMAW-UHFFFAOYSA-N 1 2 287.326 3.269 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(CC)CCCC1 ZINC001272146082 808799284 /nfs/dbraw/zinc/79/92/84/808799284.db2.gz TVUBCSWSYHYKQH-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(CC)CCCC1 ZINC001272146082 808799285 /nfs/dbraw/zinc/79/92/85/808799285.db2.gz TVUBCSWSYHYKQH-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001277699718 809090792 /nfs/dbraw/zinc/09/07/92/809090792.db2.gz OLKWQYVDFJUMTC-HNNXBMFYSA-N 1 2 280.456 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001278434280 809133376 /nfs/dbraw/zinc/13/33/76/809133376.db2.gz OYCCISWLYZCEIP-UKRRQHHQSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001278434280 809133377 /nfs/dbraw/zinc/13/33/77/809133377.db2.gz OYCCISWLYZCEIP-UKRRQHHQSA-N 1 2 286.847 3.146 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C2(C#N)CC2)c1 ZINC001213323052 815265117 /nfs/dbraw/zinc/26/51/17/815265117.db2.gz BBZTWZFAJVREBI-UHFFFAOYSA-N 1 2 288.354 3.471 20 30 CGEDLO CSc1cc(Nc2ccc(C#N)cc2N)cc[nH+]1 ZINC001213355807 815269324 /nfs/dbraw/zinc/26/93/24/815269324.db2.gz YJWYQRNUTRGTDC-UHFFFAOYSA-N 1 2 256.334 3.001 20 30 CGEDLO N#Cc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)c(N)c1 ZINC001213355533 815269457 /nfs/dbraw/zinc/26/94/57/815269457.db2.gz GTRHNRFQYHHXJG-UHFFFAOYSA-N 1 2 275.315 3.070 20 30 CGEDLO C#Cc1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1F ZINC001175343470 809368204 /nfs/dbraw/zinc/36/82/04/809368204.db2.gz JTSBIEYGQDPYJR-UHFFFAOYSA-N 1 2 255.296 3.012 20 30 CGEDLO CN(C)c1ccc(Nc2cc(Cl)cc(C#N)c2)c[nH+]1 ZINC001175345247 809369387 /nfs/dbraw/zinc/36/93/87/809369387.db2.gz SZLCRCQIBRMKJG-UHFFFAOYSA-N 1 2 272.739 3.416 20 30 CGEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC001175349792 809372318 /nfs/dbraw/zinc/37/23/18/809372318.db2.gz DSKRFYQPLQVOFJ-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC001175351531 809374820 /nfs/dbraw/zinc/37/48/20/809374820.db2.gz HQHUWGPZFBTKMB-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO Cc1cc(C)c(Nc2ncc(C#N)cc2Cl)c[nH+]1 ZINC001213505683 815292267 /nfs/dbraw/zinc/29/22/67/815292267.db2.gz MQRUGUSIUKMTKD-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO C#Cc1cc(Nc2cc(C(C)C)c(F)cc2OC)cc[nH+]1 ZINC001175830681 809551184 /nfs/dbraw/zinc/55/11/84/809551184.db2.gz ZMXRDDCSWUYBDM-UHFFFAOYSA-N 1 2 284.334 3.500 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@H](CC)c1ccccc1)C(=O)OC ZINC001183314116 810144479 /nfs/dbraw/zinc/14/44/79/810144479.db2.gz WZBWUTQWYOKYOJ-HOCLYGCPSA-N 1 2 275.392 3.278 20 30 CGEDLO Cn1c2ccccc2[nH+]c1Nc1cc(C#N)ccc1F ZINC001214590701 815428065 /nfs/dbraw/zinc/42/80/65/815428065.db2.gz SOSDEALAZMJHIA-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Br)[nH]1)C1CCCC1 ZINC001232688948 818421229 /nfs/dbraw/zinc/42/12/29/818421229.db2.gz FGRZKWZQNZIBIM-UHFFFAOYSA-N 1 2 296.212 3.435 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Br)[nH]1)C1CCCC1 ZINC001232688948 818421235 /nfs/dbraw/zinc/42/12/35/818421235.db2.gz FGRZKWZQNZIBIM-UHFFFAOYSA-N 1 2 296.212 3.435 20 30 CGEDLO N#Cc1cccc(Br)c1Nc1ccc(N)[nH+]c1 ZINC001201285528 811807818 /nfs/dbraw/zinc/80/78/18/811807818.db2.gz KATZBCAZCSXGCR-UHFFFAOYSA-N 1 2 289.136 3.042 20 30 CGEDLO COc1ccc(C#N)cc1NCc1cc(C)[nH+]c(C)c1 ZINC001202716048 812157174 /nfs/dbraw/zinc/15/71/74/812157174.db2.gz TVHXRAWGJGAODR-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC001203076613 812233784 /nfs/dbraw/zinc/23/37/84/812233784.db2.gz GWTSJQGVMUOLKA-UHFFFAOYSA-N 1 2 294.402 3.045 20 30 CGEDLO CN(C)c1ccc(NC=Cc2ccc(C#N)cc2)c[nH+]1 ZINC001203297882 812298722 /nfs/dbraw/zinc/29/87/22/812298722.db2.gz CVANLYYZMNSKFU-MDZDMXLPSA-N 1 2 264.332 3.102 20 30 CGEDLO CNc1ccc(Nc2c(C#N)ccc(F)c2F)c[nH+]1 ZINC001203462655 812370430 /nfs/dbraw/zinc/37/04/30/812370430.db2.gz XQGFZHAAFVSMDB-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc1F ZINC001203790703 812462884 /nfs/dbraw/zinc/46/28/84/812462884.db2.gz NFBAXFSCEDEGRK-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1F ZINC001203790703 812462887 /nfs/dbraw/zinc/46/28/87/812462887.db2.gz NFBAXFSCEDEGRK-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@H](OC)C1(CC)CC)C(=O)OCC ZINC001207342125 813544450 /nfs/dbraw/zinc/54/44/50/813544450.db2.gz XQGICHALAFBABT-ZNMIVQPWSA-N 1 2 297.439 3.068 20 30 CGEDLO COc1cccc(CC[N@H+](CCC#N)Cc2cccnc2)c1 ZINC001207428899 813563437 /nfs/dbraw/zinc/56/34/37/813563437.db2.gz NZRODCRTNRQNBO-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO COc1cccc(CC[N@@H+](CCC#N)Cc2cccnc2)c1 ZINC001207428899 813563438 /nfs/dbraw/zinc/56/34/38/813563438.db2.gz NZRODCRTNRQNBO-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(C)nnc2C1 ZINC001208118039 813696160 /nfs/dbraw/zinc/69/61/60/813696160.db2.gz BMRKZGCIJWJZQU-MDZDMXLPSA-N 1 2 276.428 3.319 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(C)nnc2C1 ZINC001208118039 813696162 /nfs/dbraw/zinc/69/61/62/813696162.db2.gz BMRKZGCIJWJZQU-MDZDMXLPSA-N 1 2 276.428 3.319 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C#N)cc2OC)c[nH+]1 ZINC001209326329 813999655 /nfs/dbraw/zinc/99/96/55/813999655.db2.gz XODHNLVQEANMTL-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO C=CCCCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209436317 814036994 /nfs/dbraw/zinc/03/69/94/814036994.db2.gz TZUUOJIQVCIDQR-CQSZACIVSA-N 1 2 265.422 3.397 20 30 CGEDLO C=CCCCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209436317 814037002 /nfs/dbraw/zinc/03/70/02/814037002.db2.gz TZUUOJIQVCIDQR-CQSZACIVSA-N 1 2 265.422 3.397 20 30 CGEDLO C=CCCCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209438049 814037351 /nfs/dbraw/zinc/03/73/51/814037351.db2.gz DEMOFMPKZQHKCR-CQSZACIVSA-N 1 2 275.383 3.463 20 30 CGEDLO C=CCCCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209438049 814037358 /nfs/dbraw/zinc/03/73/58/814037358.db2.gz DEMOFMPKZQHKCR-CQSZACIVSA-N 1 2 275.383 3.463 20 30 CGEDLO N#CCC1CC[NH+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209755742 814132156 /nfs/dbraw/zinc/13/21/56/814132156.db2.gz OHAAHYDSCYOASN-UHFFFAOYSA-N 1 2 288.782 3.342 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(C#N)cc2Cl)cc1N ZINC001210287892 814382231 /nfs/dbraw/zinc/38/22/31/814382231.db2.gz FXEZZCJTNYGWTP-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C)cc2C#N)c[nH+]1 ZINC001210564696 814530584 /nfs/dbraw/zinc/53/05/84/814530584.db2.gz KWJPKVFFLKISMX-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO C[C@H]1CC(=O)C=C(Nc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001210777284 814623040 /nfs/dbraw/zinc/62/30/40/814623040.db2.gz WMOMZRYRVASCJM-CYBMUJFWSA-N 1 2 281.359 3.226 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)C)c(OC)c2)cc[nH+]1 ZINC001216245042 815754503 /nfs/dbraw/zinc/75/45/03/815754503.db2.gz LJLOMOXVIWFIJF-UHFFFAOYSA-N 1 2 282.343 3.024 20 30 CGEDLO CCCCCCCCCCCO[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001217823189 815970736 /nfs/dbraw/zinc/97/07/36/815970736.db2.gz NGFRASPOUNTHPC-CVEARBPZSA-N 1 2 299.455 3.437 20 30 CGEDLO CCCCCCCCCC[C@H](C)OC[C@@H]([NH3+])C(=O)OC ZINC001217891906 815991717 /nfs/dbraw/zinc/99/17/17/815991717.db2.gz BZZNYCIKVPGXCM-LSDHHAIUSA-N 1 2 287.444 3.423 20 30 CGEDLO Cc1cc[nH+]c(C)c1O[C@H](C#N)c1ccccc1F ZINC001227262749 817611942 /nfs/dbraw/zinc/61/19/42/817611942.db2.gz VXORBUVHCZCJGJ-CQSZACIVSA-N 1 2 256.280 3.481 20 30 CGEDLO N#Cc1ccc(Cl)cc1OC1C[NH+](Cc2ccccc2)C1 ZINC001228083286 817805633 /nfs/dbraw/zinc/80/56/33/817805633.db2.gz ZEBKJOCCDKNDEY-UHFFFAOYSA-N 1 2 298.773 3.475 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C1CC1 ZINC001231620495 818138046 /nfs/dbraw/zinc/13/80/46/818138046.db2.gz CVUKQDYUGUIASE-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001231620495 818138050 /nfs/dbraw/zinc/13/80/50/818138050.db2.gz CVUKQDYUGUIASE-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001232678666 818417499 /nfs/dbraw/zinc/41/74/99/818417499.db2.gz MLPHQZPHERTZGS-OAHLLOKOSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001232678666 818417503 /nfs/dbraw/zinc/41/75/03/818417503.db2.gz MLPHQZPHERTZGS-OAHLLOKOSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001232679966 818418877 /nfs/dbraw/zinc/41/88/77/818418877.db2.gz WCKVFTVYPYXOBJ-OAHLLOKOSA-N 1 2 293.370 3.038 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001232679966 818418880 /nfs/dbraw/zinc/41/88/80/818418880.db2.gz WCKVFTVYPYXOBJ-OAHLLOKOSA-N 1 2 293.370 3.038 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232890071 818467169 /nfs/dbraw/zinc/46/71/69/818467169.db2.gz OCSRHBBDMHTNLH-ZDUSSCGKSA-N 1 2 281.334 3.233 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232890071 818467172 /nfs/dbraw/zinc/46/71/72/818467172.db2.gz OCSRHBBDMHTNLH-ZDUSSCGKSA-N 1 2 281.334 3.233 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(Br)c(Cl)cc1F ZINC001233440967 818619803 /nfs/dbraw/zinc/61/98/03/818619803.db2.gz KVTBKNNCUVHIJZ-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(Br)c(Cl)cc1F ZINC001233440967 818619806 /nfs/dbraw/zinc/61/98/06/818619806.db2.gz KVTBKNNCUVHIJZ-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001234899160 818948100 /nfs/dbraw/zinc/94/81/00/818948100.db2.gz CNVCAZSUMGEUCN-HNNXBMFYSA-N 1 2 288.391 3.104 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001234899160 818948106 /nfs/dbraw/zinc/94/81/06/818948106.db2.gz CNVCAZSUMGEUCN-HNNXBMFYSA-N 1 2 288.391 3.104 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(F)c(OC)c1 ZINC001235439840 819100168 /nfs/dbraw/zinc/10/01/68/819100168.db2.gz CSDMDDNUOOJCAC-UHFFFAOYSA-N 1 2 268.307 3.099 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(F)c(OC)c1 ZINC001235439840 819100171 /nfs/dbraw/zinc/10/01/71/819100171.db2.gz CSDMDDNUOOJCAC-UHFFFAOYSA-N 1 2 268.307 3.099 20 30 CGEDLO N#CCc1ccccc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC001235523757 819114639 /nfs/dbraw/zinc/11/46/39/819114639.db2.gz UDOGWSQOGGOHFQ-UHFFFAOYSA-N 1 2 266.319 3.408 20 30 CGEDLO N#CCc1ccccc1C[N@H+]1Cc2cccc(F)c2C1 ZINC001235523757 819114643 /nfs/dbraw/zinc/11/46/43/819114643.db2.gz UDOGWSQOGGOHFQ-UHFFFAOYSA-N 1 2 266.319 3.408 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC001235650180 819128746 /nfs/dbraw/zinc/12/87/46/819128746.db2.gz CEQUGLADTLAEGA-UHFFFAOYSA-N 1 2 286.272 3.458 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC001235650180 819128749 /nfs/dbraw/zinc/12/87/49/819128749.db2.gz CEQUGLADTLAEGA-UHFFFAOYSA-N 1 2 286.272 3.458 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2CCCCC23CC3)c(F)c1 ZINC001235659816 819130387 /nfs/dbraw/zinc/13/03/87/819130387.db2.gz ALAIOAGJIVFLIW-UHFFFAOYSA-N 1 2 262.303 3.355 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2CCCCC23CC3)c(F)c1 ZINC001235659816 819130391 /nfs/dbraw/zinc/13/03/91/819130391.db2.gz ALAIOAGJIVFLIW-UHFFFAOYSA-N 1 2 262.303 3.355 20 30 CGEDLO C[N@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236793565 819597633 /nfs/dbraw/zinc/59/76/33/819597633.db2.gz LAAXETLVLMUUSP-UHFFFAOYSA-N 1 2 259.136 3.044 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236793565 819597635 /nfs/dbraw/zinc/59/76/35/819597635.db2.gz LAAXETLVLMUUSP-UHFFFAOYSA-N 1 2 259.136 3.044 20 30 CGEDLO CCOc1cncc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001236837800 819617228 /nfs/dbraw/zinc/61/72/28/819617228.db2.gz GTHDOYNIVUZHAP-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO CCOc1cncc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001236837800 819617231 /nfs/dbraw/zinc/61/72/31/819617231.db2.gz GTHDOYNIVUZHAP-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237147297 819679388 /nfs/dbraw/zinc/67/93/88/819679388.db2.gz YPHFJWVWGAOYIM-ZDUSSCGKSA-N 1 2 284.281 3.147 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237147297 819679391 /nfs/dbraw/zinc/67/93/91/819679391.db2.gz YPHFJWVWGAOYIM-ZDUSSCGKSA-N 1 2 284.281 3.147 20 30 CGEDLO N#Cc1cc(C(F)(F)F)ccc1-c1ccc[nH+]c1N ZINC001238844027 820132758 /nfs/dbraw/zinc/13/27/58/820132758.db2.gz RVOKFEFUXOIFBV-UHFFFAOYSA-N 1 2 263.222 3.221 20 30 CGEDLO N#Cc1cnc2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cn12 ZINC001243658746 823477202 /nfs/dbraw/zinc/47/72/02/823477202.db2.gz GKRUKRGUQOWHBI-UHFFFAOYSA-N 1 2 299.337 3.118 20 30 CGEDLO N#CCc1ccc(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001240217772 820889682 /nfs/dbraw/zinc/88/96/82/820889682.db2.gz ODMPVSANYRMKFT-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1cc(C(F)(F)F)cnc1-c1ccn2cc[nH+]c2c1 ZINC001240496048 821091509 /nfs/dbraw/zinc/09/15/09/821091509.db2.gz FHOSFGFJSKPRGD-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#CCc1ccc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240508657 821103299 /nfs/dbraw/zinc/10/32/99/821103299.db2.gz HKXOIHUUMPZUBG-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO O/N=C1/CCc2cc(-c3ccn4cc[nH+]c4c3)ccc21 ZINC001240512959 821108614 /nfs/dbraw/zinc/10/86/14/821108614.db2.gz DSHFICLMSNUTMG-SDXDJHTJSA-N 1 2 263.300 3.126 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(/C=N/O)ccc1F ZINC001241250234 821671995 /nfs/dbraw/zinc/67/19/95/821671995.db2.gz IZIQVOBYHXIONA-QGMBQPNBSA-N 1 2 273.311 3.070 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)c(CO)c2)cc1C#N ZINC001241788326 822143861 /nfs/dbraw/zinc/14/38/61/822143861.db2.gz QPQMYPSKMPSJCJ-RGVLZGJSSA-N 1 2 297.333 3.078 20 30 CGEDLO COc1ccc(-c2cc(C)[nH+]c(C)c2)cc1CC#N ZINC001241992648 822261027 /nfs/dbraw/zinc/26/10/27/822261027.db2.gz UVQYCJNDRNNXIQ-UHFFFAOYSA-N 1 2 252.317 3.440 20 30 CGEDLO Cc1cc(-c2ccc(-n3cc[nH+]c3)cc2)cnc1C#N ZINC001242356654 822964695 /nfs/dbraw/zinc/96/46/95/822964695.db2.gz IUYMHBRHSPSPJX-UHFFFAOYSA-N 1 2 260.300 3.114 20 30 CGEDLO C=C[C@@H](CC(=O)OCc1c[nH+]cn1CC)c1ccccc1 ZINC001344972370 936795542 /nfs/dbraw/zinc/79/55/42/936795542.db2.gz NSKCLBHONTXHRO-AWEZNQCLSA-N 1 2 284.359 3.306 20 30 CGEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC001349614027 936954564 /nfs/dbraw/zinc/95/45/64/936954564.db2.gz DPGRDMTXWAKHQY-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001481192508 926905897 /nfs/dbraw/zinc/90/58/97/926905897.db2.gz WEYRUGAYGPZJIF-GDBMZVCRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001481192508 926905909 /nfs/dbraw/zinc/90/59/09/926905909.db2.gz WEYRUGAYGPZJIF-GDBMZVCRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001485368763 927855537 /nfs/dbraw/zinc/85/55/37/927855537.db2.gz BVKSHBLOBMARNI-STQMWFEESA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001485368763 927855551 /nfs/dbraw/zinc/85/55/51/927855551.db2.gz BVKSHBLOBMARNI-STQMWFEESA-N 1 2 286.847 3.002 20 30 CGEDLO CN(C)c1cccc(Cl)c1C=[NH+]O[C@H]1CCCCO1 ZINC001324576654 928096410 /nfs/dbraw/zinc/09/64/10/928096410.db2.gz FSCVDBZWSRJLFZ-AWEZNQCLSA-N 1 2 282.771 3.283 20 30 CGEDLO N#C[C@H]1CC=C(Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001212862789 928652722 /nfs/dbraw/zinc/65/27/22/928652722.db2.gz SFAQRTYKCKRKCZ-HNNXBMFYSA-N 1 2 297.402 3.138 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(C#N)ccc1Br ZINC001474020726 937835792 /nfs/dbraw/zinc/83/57/92/937835792.db2.gz ORJOTPJPRFTBCE-UHFFFAOYSA-N 1 2 285.572 3.163 20 30 CGEDLO C=C1CC[NH+]([C@@H](CCc2ccccc2)C(=O)OCC)CC1 ZINC001459451921 937489066 /nfs/dbraw/zinc/48/90/66/937489066.db2.gz GBAMSFMUNQRWNQ-KRWDZBQOSA-N 1 2 287.403 3.203 20 30 CGEDLO CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1F ZINC001140137436 931956717 /nfs/dbraw/zinc/95/67/17/931956717.db2.gz JOTIVGKWSPDTRZ-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1F ZINC001140137436 931956721 /nfs/dbraw/zinc/95/67/21/931956721.db2.gz JOTIVGKWSPDTRZ-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2noc3cc(F)ccc23)cs1 ZINC001461702202 937593281 /nfs/dbraw/zinc/59/32/81/937593281.db2.gz JTQFDCIAUVALNK-UHFFFAOYSA-N 1 2 287.319 3.190 20 30 CGEDLO N#CCc1ccccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001230272429 932549897 /nfs/dbraw/zinc/54/98/97/932549897.db2.gz NQMKMFLVFBCIBL-UHFFFAOYSA-N 1 2 278.355 3.016 20 30 CGEDLO C#C[C@H](Oc1ccc(-c2c[nH+]cn2C)cc1)C(C)C ZINC001231083489 932675177 /nfs/dbraw/zinc/67/51/77/932675177.db2.gz KVZPMIQMBRFIPU-INIZCTEOSA-N 1 2 254.333 3.124 20 30 CGEDLO N#Cc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)c(N)c1 ZINC001244093973 932706920 /nfs/dbraw/zinc/70/69/20/932706920.db2.gz VEPSJQQFRDKRHM-UHFFFAOYSA-N 1 2 278.290 3.132 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001492473225 932819946 /nfs/dbraw/zinc/81/99/46/932819946.db2.gz FFWPOTANRYCJLP-UONOGXRCSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001492473225 932819951 /nfs/dbraw/zinc/81/99/51/932819951.db2.gz FFWPOTANRYCJLP-UONOGXRCSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccccc1Cl)C(=O)OC ZINC001462507058 937645930 /nfs/dbraw/zinc/64/59/30/937645930.db2.gz SBPFIMWYOVMJCX-IUODEOHRSA-N 1 2 295.810 3.368 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001308506336 933121651 /nfs/dbraw/zinc/12/16/51/933121651.db2.gz VHGJGVZACBPNAU-LBPRGKRZSA-N 1 2 269.323 3.279 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(F)c(C)c1)c1ccc(F)cc1 ZINC001308787475 933176427 /nfs/dbraw/zinc/17/64/27/933176427.db2.gz VBEQIOLFYNASHF-HNNXBMFYSA-N 1 2 272.298 3.132 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)C(=O)OC ZINC001308901689 933199512 /nfs/dbraw/zinc/19/95/12/933199512.db2.gz MICOYJBFXVXCBX-XHDPSFHLSA-N 1 2 297.345 3.166 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCCC[C@@H]2C)C1 ZINC001318179205 933691101 /nfs/dbraw/zinc/69/11/01/933691101.db2.gz HAOHCDYQPXCOFX-SWLSCSKDSA-N 1 2 298.858 3.003 20 30 CGEDLO Cc1cn2cc(NC(=O)CC#Cc3ccccc3)ccc2[nH+]1 ZINC001319213172 933843568 /nfs/dbraw/zinc/84/35/68/933843568.db2.gz YSABCWMGWPGITL-UHFFFAOYSA-N 1 2 289.338 3.023 20 30 CGEDLO C#CC[N@@H+](Cc1csc(C(C)(C)C)n1)CC1CC1 ZINC001319445919 933877309 /nfs/dbraw/zinc/87/73/09/933877309.db2.gz DYWBUHSXEZWNHE-UHFFFAOYSA-N 1 2 262.422 3.286 20 30 CGEDLO C#CC[N@H+](Cc1csc(C(C)(C)C)n1)CC1CC1 ZINC001319445919 933877318 /nfs/dbraw/zinc/87/73/18/933877318.db2.gz DYWBUHSXEZWNHE-UHFFFAOYSA-N 1 2 262.422 3.286 20 30 CGEDLO C=CC[C@@H]([NH2+]C1CC(c2ccccc2C)C1)C(=O)OCC ZINC001320765887 934099895 /nfs/dbraw/zinc/09/98/95/934099895.db2.gz FYSDEULWEPVLJW-VMBOVVBDSA-N 1 2 287.403 3.338 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](CC)Cc1ccc(C)cc1)C(=O)OCC ZINC001320786040 934103575 /nfs/dbraw/zinc/10/35/75/934103575.db2.gz FGQZRTARFLTALL-IRXDYDNUSA-N 1 2 289.419 3.414 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1cc(F)cc(F)c1 ZINC001320868909 934115587 /nfs/dbraw/zinc/11/55/87/934115587.db2.gz FEFNNEOQDHKJON-UHFFFAOYSA-N 1 2 262.259 3.061 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1cc(F)cc(F)c1 ZINC001320868909 934115592 /nfs/dbraw/zinc/11/55/92/934115592.db2.gz FEFNNEOQDHKJON-UHFFFAOYSA-N 1 2 262.259 3.061 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1C ZINC001322285842 934270718 /nfs/dbraw/zinc/27/07/18/934270718.db2.gz PTYJTQXUMPBCKR-ZDUSSCGKSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1C ZINC001322285842 934270727 /nfs/dbraw/zinc/27/07/27/934270727.db2.gz PTYJTQXUMPBCKR-ZDUSSCGKSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001322307742 934275567 /nfs/dbraw/zinc/27/55/67/934275567.db2.gz SHXNHTISVPDLPD-VXGQWTEUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001322307742 934275571 /nfs/dbraw/zinc/27/55/71/934275571.db2.gz SHXNHTISVPDLPD-VXGQWTEUSA-N 1 2 298.858 3.002 20 30 CGEDLO CCCCCCC[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC001473392801 937804478 /nfs/dbraw/zinc/80/44/78/937804478.db2.gz LMVQZKWEKNAKED-RHSMWYFYSA-N 1 2 299.455 3.293 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1cccs1 ZINC001328936252 935175651 /nfs/dbraw/zinc/17/56/51/935175651.db2.gz SYDUWRUFXDUENV-BQYQJAHWSA-N 1 2 258.346 3.105 20 30 CGEDLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCC#N)CC1 ZINC001331171916 935355422 /nfs/dbraw/zinc/35/54/22/935355422.db2.gz CTUIGVWTHWVCDL-KRWDZBQOSA-N 1 2 289.398 3.198 20 30 CGEDLO C#CC[N@@H+](Cc1cc(F)cc(Cl)c1)C1CSC1 ZINC001474675547 937874535 /nfs/dbraw/zinc/87/45/35/937874535.db2.gz YOEPOZWWOBANQW-UHFFFAOYSA-N 1 2 269.772 3.030 20 30 CGEDLO C#CC[N@H+](Cc1cc(F)cc(Cl)c1)C1CSC1 ZINC001474675547 937874536 /nfs/dbraw/zinc/87/45/36/937874536.db2.gz YOEPOZWWOBANQW-UHFFFAOYSA-N 1 2 269.772 3.030 20 30 CGEDLO C=C1CCC(CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC001476535302 937888672 /nfs/dbraw/zinc/88/86/72/937888672.db2.gz JGRXGBZZVJNJLN-UHFFFAOYSA-N 1 2 284.363 3.202 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001494814575 937956398 /nfs/dbraw/zinc/95/63/98/937956398.db2.gz VHHHSVYFMDXANQ-CQSZACIVSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001494814575 937956399 /nfs/dbraw/zinc/95/63/99/937956399.db2.gz VHHHSVYFMDXANQ-CQSZACIVSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001505918130 937988073 /nfs/dbraw/zinc/98/80/73/937988073.db2.gz GMNOFFSHAAXACB-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001505918130 937988074 /nfs/dbraw/zinc/98/80/74/937988074.db2.gz GMNOFFSHAAXACB-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)Nc3cccc(C#N)c3C)ccn12 ZINC001544114569 938143512 /nfs/dbraw/zinc/14/35/12/938143512.db2.gz OPMUKNRVIVKWMO-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO C=CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001559106677 938220324 /nfs/dbraw/zinc/22/03/24/938220324.db2.gz JDGLWWPTNVHKDM-LLVKDONJSA-N 1 2 297.337 3.331 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1 ZINC001559976483 938240482 /nfs/dbraw/zinc/24/04/82/938240482.db2.gz VIZCQJBPMSGHIW-HUUCEWRRSA-N 1 2 279.424 3.090 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC[C@@H](C)C1 ZINC001559976483 938240483 /nfs/dbraw/zinc/24/04/83/938240483.db2.gz VIZCQJBPMSGHIW-HUUCEWRRSA-N 1 2 279.424 3.090 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@H](CC)CO1 ZINC001559973259 938240599 /nfs/dbraw/zinc/24/05/99/938240599.db2.gz HUCDLGVDRDZMNP-IAGOWNOFSA-N 1 2 275.367 3.067 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@H](CC)CO1 ZINC001559973259 938240600 /nfs/dbraw/zinc/24/06/00/938240600.db2.gz HUCDLGVDRDZMNP-IAGOWNOFSA-N 1 2 275.367 3.067 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(Br)s1 ZINC001560209671 938247246 /nfs/dbraw/zinc/24/72/46/938247246.db2.gz USAKOHBLTZMQEZ-JTQLQIEISA-N 1 2 284.222 3.498 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)s1 ZINC001560209671 938247247 /nfs/dbraw/zinc/24/72/47/938247247.db2.gz USAKOHBLTZMQEZ-JTQLQIEISA-N 1 2 284.222 3.498 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001560209483 938247424 /nfs/dbraw/zinc/24/74/24/938247424.db2.gz OBSSPTMOXHJWAQ-ZDUSSCGKSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001560209483 938247425 /nfs/dbraw/zinc/24/74/25/938247425.db2.gz OBSSPTMOXHJWAQ-ZDUSSCGKSA-N 1 2 251.732 3.467 20 30 CGEDLO C#CC[N@H+](Cc1sc(N2CCCC2)nc1Cl)C(C)C ZINC001561032925 938290599 /nfs/dbraw/zinc/29/05/99/938290599.db2.gz WQAHKNCIZFPDJC-UHFFFAOYSA-N 1 2 297.855 3.240 20 30 CGEDLO C#CC[N@@H+](Cc1sc(N2CCCC2)nc1Cl)C(C)C ZINC001561032925 938290601 /nfs/dbraw/zinc/29/06/01/938290601.db2.gz WQAHKNCIZFPDJC-UHFFFAOYSA-N 1 2 297.855 3.240 20 30 CGEDLO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC#N ZINC000425987192 957836574 /nfs/dbraw/zinc/83/65/74/957836574.db2.gz YQETWPKTERLCIM-UHFFFAOYSA-N 1 2 282.391 3.173 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cc(C)cc(Cl)c1 ZINC000590349648 346843292 /nfs/dbraw/zinc/84/32/92/346843292.db2.gz PCWZFIVYOWYFHO-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cc(C)cc(Cl)c1 ZINC000590349648 346843294 /nfs/dbraw/zinc/84/32/94/346843294.db2.gz PCWZFIVYOWYFHO-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638836 346857906 /nfs/dbraw/zinc/85/79/06/346857906.db2.gz CWYAXYAJQWTJLQ-VIFPVBQESA-N 1 2 263.728 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638836 346857909 /nfs/dbraw/zinc/85/79/09/346857909.db2.gz CWYAXYAJQWTJLQ-VIFPVBQESA-N 1 2 263.728 3.215 20 30 CGEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413309892 529590062 /nfs/dbraw/zinc/59/00/62/529590062.db2.gz BZEPBEBONSWPII-LLVKDONJSA-N 1 2 299.334 3.164 20 30 CGEDLO Cc1cc(N[C@@H]2CCc3c2cccc3C)c(C#N)c[nH+]1 ZINC000591819537 346939265 /nfs/dbraw/zinc/93/92/65/346939265.db2.gz NRAUZDFGXGGSSN-MRXNPFEDSA-N 1 2 263.344 3.091 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000592059846 346958049 /nfs/dbraw/zinc/95/80/49/346958049.db2.gz ZBXFHFYNNZGYQD-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000592059846 346958050 /nfs/dbraw/zinc/95/80/50/346958050.db2.gz ZBXFHFYNNZGYQD-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO Cc1ccc([C@H](C)[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592060320 346958093 /nfs/dbraw/zinc/95/80/93/346958093.db2.gz JKKLWDUWGMAQSP-AWEZNQCLSA-N 1 2 265.360 3.455 20 30 CGEDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592060320 346958096 /nfs/dbraw/zinc/95/80/96/346958096.db2.gz JKKLWDUWGMAQSP-AWEZNQCLSA-N 1 2 265.360 3.455 20 30 CGEDLO C=CCc1cc(C[NH2+]CC(F)(F)CC)cc(OC)c1O ZINC000623679795 349864615 /nfs/dbraw/zinc/86/46/15/349864615.db2.gz KFEFHZOMTLELGU-UHFFFAOYSA-N 1 2 285.334 3.264 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000592507521 346994644 /nfs/dbraw/zinc/99/46/44/346994644.db2.gz OAPXCBPKYUZPII-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000592507521 346994647 /nfs/dbraw/zinc/99/46/47/346994647.db2.gz OAPXCBPKYUZPII-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000351597850 219139469 /nfs/dbraw/zinc/13/94/69/219139469.db2.gz UPJRABOMQYYNMH-MRXNPFEDSA-N 1 2 290.432 3.401 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000351597850 219139472 /nfs/dbraw/zinc/13/94/72/219139472.db2.gz UPJRABOMQYYNMH-MRXNPFEDSA-N 1 2 290.432 3.401 20 30 CGEDLO CCc1cc[nH+]cc1NCc1ccc(C#N)c(OC)c1 ZINC000593222998 347053322 /nfs/dbraw/zinc/05/33/22/347053322.db2.gz NJWXUSFELKHYQI-UHFFFAOYSA-N 1 2 267.332 3.136 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000045914517 345031877 /nfs/dbraw/zinc/03/18/77/345031877.db2.gz YTKQFKZEBNWTEN-UHFFFAOYSA-N 1 2 269.348 3.219 20 30 CGEDLO N#Cc1cccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1 ZINC000074588554 345473928 /nfs/dbraw/zinc/47/39/28/345473928.db2.gz QYWKWPAVMAPJJW-UHFFFAOYSA-N 1 2 288.310 3.201 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000084136258 345729657 /nfs/dbraw/zinc/72/96/57/345729657.db2.gz IJFVAFZYDPKAKT-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000084136258 345729661 /nfs/dbraw/zinc/72/96/61/345729661.db2.gz IJFVAFZYDPKAKT-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000162257733 346178109 /nfs/dbraw/zinc/17/81/09/346178109.db2.gz YIEZJCRBJXAYCY-UHFFFAOYSA-N 1 2 282.347 3.080 20 30 CGEDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000153553731 346145040 /nfs/dbraw/zinc/14/50/40/346145040.db2.gz YYSYHHAYURSCPS-CYBMUJFWSA-N 1 2 297.358 3.000 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000153553731 346145043 /nfs/dbraw/zinc/14/50/43/346145043.db2.gz YYSYHHAYURSCPS-CYBMUJFWSA-N 1 2 297.358 3.000 20 30 CGEDLO N#CC1(C[NH2+]Cc2ncc(C(F)(F)F)s2)CCCC1 ZINC000593655153 347101094 /nfs/dbraw/zinc/10/10/94/347101094.db2.gz ZUJFZGHTCULOSC-UHFFFAOYSA-N 1 2 289.326 3.335 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000380210643 346556371 /nfs/dbraw/zinc/55/63/71/346556371.db2.gz GXWZQUNBHQGVRZ-UHFFFAOYSA-N 1 2 286.297 3.067 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccccc1C(F)(F)F ZINC000380210643 346556375 /nfs/dbraw/zinc/55/63/75/346556375.db2.gz GXWZQUNBHQGVRZ-UHFFFAOYSA-N 1 2 286.297 3.067 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CO1 ZINC000403840212 346598356 /nfs/dbraw/zinc/59/83/56/346598356.db2.gz CSILJSZEBIWPKP-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](CC)CO1 ZINC000403840212 346598357 /nfs/dbraw/zinc/59/83/57/346598357.db2.gz CSILJSZEBIWPKP-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO C#CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000491728255 346629747 /nfs/dbraw/zinc/62/97/47/346629747.db2.gz AQWBHELASLVDQA-UHFFFAOYSA-N 1 2 292.338 3.112 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593959246 347123831 /nfs/dbraw/zinc/12/38/31/347123831.db2.gz IIJWADVWRRJZDV-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593959246 347123833 /nfs/dbraw/zinc/12/38/33/347123833.db2.gz IIJWADVWRRJZDV-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CCCCC#N)c1 ZINC000593966664 347125330 /nfs/dbraw/zinc/12/53/30/347125330.db2.gz PKJUZGYYDVFZNY-UHFFFAOYSA-N 1 2 282.347 3.110 20 30 CGEDLO CC1(C#N)C[NH+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000593982598 347129815 /nfs/dbraw/zinc/12/98/15/347129815.db2.gz XULPQTKZZOJARG-UHFFFAOYSA-N 1 2 282.309 3.483 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000594602588 347201035 /nfs/dbraw/zinc/20/10/35/347201035.db2.gz MUGFPIDGBIYPLO-AWEZNQCLSA-N 1 2 282.391 3.223 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000594602588 347201040 /nfs/dbraw/zinc/20/10/40/347201040.db2.gz MUGFPIDGBIYPLO-AWEZNQCLSA-N 1 2 282.391 3.223 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000594612175 347202843 /nfs/dbraw/zinc/20/28/43/347202843.db2.gz MEQKSIYSWPTZRC-UHFFFAOYSA-N 1 2 276.339 3.009 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000594612175 347202847 /nfs/dbraw/zinc/20/28/47/347202847.db2.gz MEQKSIYSWPTZRC-UHFFFAOYSA-N 1 2 276.339 3.009 20 30 CGEDLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H](C)C#N ZINC000594612309 347203355 /nfs/dbraw/zinc/20/33/55/347203355.db2.gz LTVDCDXTZITAAE-LLVKDONJSA-N 1 2 288.782 3.083 20 30 CGEDLO N#CCC[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000594501145 347180079 /nfs/dbraw/zinc/18/00/79/347180079.db2.gz IOJSOBPQMBYWPS-JKSUJKDBSA-N 1 2 280.375 3.353 20 30 CGEDLO N#CCC[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1 ZINC000594501136 347180214 /nfs/dbraw/zinc/18/02/14/347180214.db2.gz IOJSOBPQMBYWPS-HOTGVXAUSA-N 1 2 280.375 3.353 20 30 CGEDLO CSc1ccc(NCc2ccc(C3(C#N)CC3)cc2)[nH+]c1 ZINC000594734610 347215093 /nfs/dbraw/zinc/21/50/93/347215093.db2.gz ANZIIQYGCPNGKP-UHFFFAOYSA-N 1 2 295.411 3.393 20 30 CGEDLO CN(C)c1ccc(NCc2ccc(C3(C#N)CC3)cc2)c[nH+]1 ZINC000594734207 347215109 /nfs/dbraw/zinc/21/51/09/347215109.db2.gz SHDAKWRIXGWLCN-UHFFFAOYSA-N 1 2 292.386 3.315 20 30 CGEDLO CC[N@@H+](Cc1cc(F)ccc1OC(F)F)C[C@H](C)C#N ZINC000595298985 347289196 /nfs/dbraw/zinc/28/91/96/347289196.db2.gz UHYCKGMBGQADTN-SNVBAGLBSA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@H+](Cc1cc(F)ccc1OC(F)F)C[C@H](C)C#N ZINC000595298985 347289198 /nfs/dbraw/zinc/28/91/98/347289198.db2.gz UHYCKGMBGQADTN-SNVBAGLBSA-N 1 2 286.297 3.409 20 30 CGEDLO CO[C@H](C[N@H+](CCC#N)Cc1ccco1)C1CCCC1 ZINC000595333948 347293664 /nfs/dbraw/zinc/29/36/64/347293664.db2.gz PNFJRMJECIEMFA-MRXNPFEDSA-N 1 2 276.380 3.200 20 30 CGEDLO CO[C@H](C[N@@H+](CCC#N)Cc1ccco1)C1CCCC1 ZINC000595333948 347293667 /nfs/dbraw/zinc/29/36/67/347293667.db2.gz PNFJRMJECIEMFA-MRXNPFEDSA-N 1 2 276.380 3.200 20 30 CGEDLO CC[C@@H](CC(F)F)C[N@H+](CCC#N)Cc1ccccn1 ZINC000595343415 347295184 /nfs/dbraw/zinc/29/51/84/347295184.db2.gz QHRJZCYEBGNBJU-ZDUSSCGKSA-N 1 2 281.350 3.479 20 30 CGEDLO CC[C@@H](CC(F)F)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000595343415 347295186 /nfs/dbraw/zinc/29/51/86/347295186.db2.gz QHRJZCYEBGNBJU-ZDUSSCGKSA-N 1 2 281.350 3.479 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000595620835 347328544 /nfs/dbraw/zinc/32/85/44/347328544.db2.gz RKEVKVYRGXOSJX-ZDUSSCGKSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000595620835 347328545 /nfs/dbraw/zinc/32/85/45/347328545.db2.gz RKEVKVYRGXOSJX-ZDUSSCGKSA-N 1 2 298.415 3.331 20 30 CGEDLO CC(C)Cc1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595641406 347331706 /nfs/dbraw/zinc/33/17/06/347331706.db2.gz LDTKOGDBMSLXPO-UHFFFAOYSA-N 1 2 298.390 3.165 20 30 CGEDLO N#CCCCC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000595762445 347352507 /nfs/dbraw/zinc/35/25/07/347352507.db2.gz WWKMLDGEKUHDRX-HNNXBMFYSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCCCC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000595762445 347352511 /nfs/dbraw/zinc/35/25/11/347352511.db2.gz WWKMLDGEKUHDRX-HNNXBMFYSA-N 1 2 280.318 3.032 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000595838899 347364716 /nfs/dbraw/zinc/36/47/16/347364716.db2.gz DROKOAXWQCQCCR-CQSZACIVSA-N 1 2 298.308 3.320 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000595838899 347364718 /nfs/dbraw/zinc/36/47/18/347364718.db2.gz DROKOAXWQCQCCR-CQSZACIVSA-N 1 2 298.308 3.320 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842860 347366644 /nfs/dbraw/zinc/36/66/44/347366644.db2.gz HUJCISMVNQHTCK-SWLSCSKDSA-N 1 2 273.336 3.200 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842860 347366645 /nfs/dbraw/zinc/36/66/45/347366645.db2.gz HUJCISMVNQHTCK-SWLSCSKDSA-N 1 2 273.336 3.200 20 30 CGEDLO CC1(C)C[C@@]1([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000595907565 347371018 /nfs/dbraw/zinc/37/10/18/347371018.db2.gz ATYVXXFWZNPXQE-MRXNPFEDSA-N 1 2 283.400 3.430 20 30 CGEDLO C=CCCSCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000596904231 347518813 /nfs/dbraw/zinc/51/88/13/347518813.db2.gz IKKKKJHGRVXQGQ-UHFFFAOYSA-N 1 2 279.409 3.129 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000597025531 347528204 /nfs/dbraw/zinc/52/82/04/347528204.db2.gz BUSIBHDIUHKOQV-QZTJIDSGSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000597025531 347528206 /nfs/dbraw/zinc/52/82/06/347528206.db2.gz BUSIBHDIUHKOQV-QZTJIDSGSA-N 1 2 294.402 3.000 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000597083219 347534778 /nfs/dbraw/zinc/53/47/78/347534778.db2.gz QFFBRSMKOMUKJV-GFCCVEGCSA-N 1 2 285.322 3.262 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230907 347558470 /nfs/dbraw/zinc/55/84/70/347558470.db2.gz KATGWBJXEAQSND-GOSISDBHSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230907 347558475 /nfs/dbraw/zinc/55/84/75/347558475.db2.gz KATGWBJXEAQSND-GOSISDBHSA-N 1 2 294.402 3.225 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597229579 347558640 /nfs/dbraw/zinc/55/86/40/347558640.db2.gz CSULLHFQDHSBDE-INIZCTEOSA-N 1 2 274.339 3.102 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597229579 347558644 /nfs/dbraw/zinc/55/86/44/347558644.db2.gz CSULLHFQDHSBDE-INIZCTEOSA-N 1 2 274.339 3.102 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000597191587 347547448 /nfs/dbraw/zinc/54/74/48/347547448.db2.gz PHDKGOSVGPCCEU-HOCLYGCPSA-N 1 2 291.391 3.244 20 30 CGEDLO C[C@@]1(C#N)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599065221 347713347 /nfs/dbraw/zinc/71/33/47/347713347.db2.gz IWNBGMYMGBDIGN-INIZCTEOSA-N 1 2 296.330 3.273 20 30 CGEDLO C=CCCCC[N@@H+]1CCc2occc2[C@@H]1C(=O)OCC ZINC000599544697 347752367 /nfs/dbraw/zinc/75/23/67/347752367.db2.gz JKOOUTQZTGIIMR-OAHLLOKOSA-N 1 2 277.364 3.098 20 30 CGEDLO C=CCCCC[N@H+]1CCc2occc2[C@@H]1C(=O)OCC ZINC000599544697 347752369 /nfs/dbraw/zinc/75/23/69/347752369.db2.gz JKOOUTQZTGIIMR-OAHLLOKOSA-N 1 2 277.364 3.098 20 30 CGEDLO COc1cncc(C[N@H+](CCC#N)CCC(C)C)c1C ZINC000602466682 347962981 /nfs/dbraw/zinc/96/29/81/347962981.db2.gz ZFZIJSHHTQEGHW-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO COc1cncc(C[N@@H+](CCC#N)CCC(C)C)c1C ZINC000602466682 347962982 /nfs/dbraw/zinc/96/29/82/347962982.db2.gz ZFZIJSHHTQEGHW-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)n1 ZINC000602481894 347967222 /nfs/dbraw/zinc/96/72/22/347967222.db2.gz FUEMUHWWJMKBCA-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)n1 ZINC000602481894 347967226 /nfs/dbraw/zinc/96/72/26/347967226.db2.gz FUEMUHWWJMKBCA-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO CSc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)[nH+]c1 ZINC000602566717 347984298 /nfs/dbraw/zinc/98/42/98/347984298.db2.gz ASPMJYMREKNUPY-LBPRGKRZSA-N 1 2 291.420 3.314 20 30 CGEDLO COc1cccc(C)c1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000602703678 348012617 /nfs/dbraw/zinc/01/26/17/348012617.db2.gz ATYNLINFVWHJGK-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cccc(C)c1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000602703678 348012619 /nfs/dbraw/zinc/01/26/19/348012619.db2.gz ATYNLINFVWHJGK-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]Cc1cc2c(cccc2C)[nH]1)C(=O)OC ZINC000602739023 348022215 /nfs/dbraw/zinc/02/22/15/348022215.db2.gz OOHZXFWNXFFMOF-MRXNPFEDSA-N 1 2 286.375 3.074 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@H]1CCC[C@@H]1C#N ZINC000602980177 348050284 /nfs/dbraw/zinc/05/02/84/348050284.db2.gz MSYMHYRMLTZGTI-SJORKVTESA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)[C@H]1CCC[C@@H]1C#N ZINC000602980177 348050287 /nfs/dbraw/zinc/05/02/87/348050287.db2.gz MSYMHYRMLTZGTI-SJORKVTESA-N 1 2 292.386 3.268 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000609486124 348345205 /nfs/dbraw/zinc/34/52/05/348345205.db2.gz DHXYHCNZZHTEKS-PBHICJAKSA-N 1 2 289.398 3.052 20 30 CGEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000610276334 348370250 /nfs/dbraw/zinc/37/02/50/348370250.db2.gz MPAHTUMAVWLETG-CQSZACIVSA-N 1 2 286.766 3.250 20 30 CGEDLO N#Cc1ccccc1COc1ccccc1-n1cc[nH+]c1 ZINC000609850316 348354949 /nfs/dbraw/zinc/35/49/49/348354949.db2.gz OSUVSCWTANYUNM-UHFFFAOYSA-N 1 2 275.311 3.323 20 30 CGEDLO Cc1cn(Cc2cn3cc(Cl)ccc3[nH+]2)cc1C#N ZINC000610915505 348409871 /nfs/dbraw/zinc/40/98/71/348409871.db2.gz KYLAJXCFRGFKLH-UHFFFAOYSA-N 1 2 270.723 3.018 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)C(C)(C)CO1 ZINC000611371805 348441670 /nfs/dbraw/zinc/44/16/70/348441670.db2.gz CCGKJUUCFNJHJQ-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1F ZINC000611501996 348457048 /nfs/dbraw/zinc/45/70/48/348457048.db2.gz LMILJSXQZYCDPZ-GWCFXTLKSA-N 1 2 298.308 3.340 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1F ZINC000611501996 348457049 /nfs/dbraw/zinc/45/70/49/348457049.db2.gz LMILJSXQZYCDPZ-GWCFXTLKSA-N 1 2 298.308 3.340 20 30 CGEDLO Cc1c(C[N@@H+]2CCC[C@@](C)(C#N)C2)cccc1[N+](=O)[O-] ZINC000612165054 348499282 /nfs/dbraw/zinc/49/92/82/348499282.db2.gz KBCQFCYWZVBTHV-HNNXBMFYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1c(C[N@H+]2CCC[C@@](C)(C#N)C2)cccc1[N+](=O)[O-] ZINC000612165054 348499285 /nfs/dbraw/zinc/49/92/85/348499285.db2.gz KBCQFCYWZVBTHV-HNNXBMFYSA-N 1 2 273.336 3.029 20 30 CGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166952 348499465 /nfs/dbraw/zinc/49/94/65/348499465.db2.gz YQVDZPPEUBZYJG-DOMZBBRYSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166952 348499468 /nfs/dbraw/zinc/49/94/68/348499468.db2.gz YQVDZPPEUBZYJG-DOMZBBRYSA-N 1 2 273.336 3.281 20 30 CGEDLO N#Cc1ccc(CNc2[nH+]c3ccccc3n2C2CC2)cc1 ZINC000613104241 348564964 /nfs/dbraw/zinc/56/49/64/348564964.db2.gz MSDRYLFEFKNRDH-UHFFFAOYSA-N 1 2 288.354 3.277 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000614162994 348653313 /nfs/dbraw/zinc/65/33/13/348653313.db2.gz PVLUBHWJSMTAIW-OAHLLOKOSA-N 1 2 296.374 3.208 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000614162994 348653316 /nfs/dbraw/zinc/65/33/16/348653316.db2.gz PVLUBHWJSMTAIW-OAHLLOKOSA-N 1 2 296.374 3.208 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614963963 348704360 /nfs/dbraw/zinc/70/43/60/348704360.db2.gz PFTAXOAAJOLJKL-CZUORRHYSA-N 1 2 253.349 3.245 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000614963963 348704363 /nfs/dbraw/zinc/70/43/63/348704363.db2.gz PFTAXOAAJOLJKL-CZUORRHYSA-N 1 2 253.349 3.245 20 30 CGEDLO N#Cc1ccc(/C=C\c2[nH+]ccn2Cc2ccccc2)nc1 ZINC000358835951 233200809 /nfs/dbraw/zinc/20/08/09/233200809.db2.gz WDKIMMGNFJXHCZ-HJWRWDBZSA-N 1 2 286.338 3.368 20 30 CGEDLO CC(C)[C@H](C[N@@H+]1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000619430607 349249047 /nfs/dbraw/zinc/24/90/47/349249047.db2.gz HLSMIXFYOCOMSY-HOTGVXAUSA-N 1 2 260.356 3.364 20 30 CGEDLO CC(C)[C@H](C[N@H+]1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000619430607 349249051 /nfs/dbraw/zinc/24/90/51/349249051.db2.gz HLSMIXFYOCOMSY-HOTGVXAUSA-N 1 2 260.356 3.364 20 30 CGEDLO C[C@@H]([NH2+]CC1(CC#N)CC1)c1nc(Cc2ccccc2)no1 ZINC000619526383 349256843 /nfs/dbraw/zinc/25/68/43/349256843.db2.gz HLADABBPAXNRLF-CYBMUJFWSA-N 1 2 296.374 3.005 20 30 CGEDLO C=C[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C(=O)OC ZINC000619703994 349277384 /nfs/dbraw/zinc/27/73/84/349277384.db2.gz WENMGARLWFILCX-UPTPFMHGSA-N 1 2 287.403 3.204 20 30 CGEDLO N#Cc1ccc(CNc2c[nH+]c3c(c2)CCCC3)cc1 ZINC000359823244 233380916 /nfs/dbraw/zinc/38/09/16/233380916.db2.gz VBOHRTICMGAARE-UHFFFAOYSA-N 1 2 263.344 3.444 20 30 CGEDLO C=CC(C)(C)CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000628313746 350494760 /nfs/dbraw/zinc/49/47/60/350494760.db2.gz ZGWKEJJVLXNWKN-UHFFFAOYSA-N 1 2 297.402 3.264 20 30 CGEDLO C=CCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000271549624 191206774 /nfs/dbraw/zinc/20/67/74/191206774.db2.gz ODQUNAODIKRNHS-UHFFFAOYSA-N 1 2 296.374 3.269 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000336449875 213315682 /nfs/dbraw/zinc/31/56/82/213315682.db2.gz RRLKOPSGZLKCFG-LLVKDONJSA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000336449875 213315685 /nfs/dbraw/zinc/31/56/85/213315685.db2.gz RRLKOPSGZLKCFG-LLVKDONJSA-N 1 2 275.402 3.413 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000154764572 188160344 /nfs/dbraw/zinc/16/03/44/188160344.db2.gz NLLQZTDLQWVGCT-UHFFFAOYSA-N 1 2 278.787 3.283 20 30 CGEDLO C=CC[N@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000154764572 188160346 /nfs/dbraw/zinc/16/03/46/188160346.db2.gz NLLQZTDLQWVGCT-UHFFFAOYSA-N 1 2 278.787 3.283 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(CC(C)C)no1)c1ccccc1 ZINC000271688584 191277659 /nfs/dbraw/zinc/27/76/59/191277659.db2.gz JUSUOWUPXKUJJS-OAHLLOKOSA-N 1 2 283.375 3.122 20 30 CGEDLO C[C@H]1C[N@H+](CCSc2cccc(Cl)c2C#N)CCO1 ZINC000412998615 235238329 /nfs/dbraw/zinc/23/83/29/235238329.db2.gz JMBYYDUDLHCTOJ-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2C#N)CCO1 ZINC000412998615 235238332 /nfs/dbraw/zinc/23/83/32/235238332.db2.gz JMBYYDUDLHCTOJ-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3ccc(F)cc3C2)s1 ZINC000426524359 283141890 /nfs/dbraw/zinc/14/18/90/283141890.db2.gz RBHIUBNSDRAZOJ-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccc(F)cc3C2)s1 ZINC000426524359 283141893 /nfs/dbraw/zinc/14/18/93/283141893.db2.gz RBHIUBNSDRAZOJ-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1csc(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000093686122 138348012 /nfs/dbraw/zinc/34/80/12/138348012.db2.gz UUBNFQMKDJHCPI-UHFFFAOYSA-N 1 2 284.388 3.227 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)s1 ZINC000125894505 138384391 /nfs/dbraw/zinc/38/43/91/138384391.db2.gz JUUINQZUYSSZTA-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)s1 ZINC000125894505 138384392 /nfs/dbraw/zinc/38/43/92/138384392.db2.gz JUUINQZUYSSZTA-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO Cc1cc(N2CC[C@H](C)C3(CCC3)C2)c(C#N)c[nH+]1 ZINC000425251552 236223516 /nfs/dbraw/zinc/22/35/16/236223516.db2.gz XYKDMIWZOHYJBC-LBPRGKRZSA-N 1 2 255.365 3.278 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cccc(C#N)c1F ZINC000340830828 215730321 /nfs/dbraw/zinc/73/03/21/215730321.db2.gz CEDVVCSLQWQPJE-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cccc(C#N)c1F ZINC000340830828 215730323 /nfs/dbraw/zinc/73/03/23/215730323.db2.gz CEDVVCSLQWQPJE-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO COC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428311714 236392271 /nfs/dbraw/zinc/39/22/71/236392271.db2.gz CMXXASJTDKWIKK-KRWDZBQOSA-N 1 2 284.334 3.175 20 30 CGEDLO N#Cc1ccc(OCC[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000341758939 216092404 /nfs/dbraw/zinc/09/24/04/216092404.db2.gz DIALERMAJBZKFE-UHFFFAOYSA-N 1 2 294.345 3.304 20 30 CGEDLO N#Cc1ccc(OCC[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000341758939 216092407 /nfs/dbraw/zinc/09/24/07/216092407.db2.gz DIALERMAJBZKFE-UHFFFAOYSA-N 1 2 294.345 3.304 20 30 CGEDLO C#CCCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000179250843 189180618 /nfs/dbraw/zinc/18/06/18/189180618.db2.gz GIYMUOCHOPDNTH-ZDUSSCGKSA-N 1 2 294.468 3.206 20 30 CGEDLO C=C[C@H](CC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000179323818 189185890 /nfs/dbraw/zinc/18/58/90/189185890.db2.gz MQXMFYGCVPHGRE-MRXNPFEDSA-N 1 2 297.402 3.092 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)s1 ZINC000180034793 189233945 /nfs/dbraw/zinc/23/39/45/189233945.db2.gz HDNWPMBUKVCKAN-AWEZNQCLSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)s1 ZINC000180034793 189233946 /nfs/dbraw/zinc/23/39/46/189233946.db2.gz HDNWPMBUKVCKAN-AWEZNQCLSA-N 1 2 290.413 3.255 20 30 CGEDLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000301820167 201217012 /nfs/dbraw/zinc/21/70/12/201217012.db2.gz JFZLQMJUARMZHD-GFCCVEGCSA-N 1 2 293.374 3.343 20 30 CGEDLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000301820167 201217016 /nfs/dbraw/zinc/21/70/16/201217016.db2.gz JFZLQMJUARMZHD-GFCCVEGCSA-N 1 2 293.374 3.343 20 30 CGEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000186415591 189438956 /nfs/dbraw/zinc/43/89/56/189438956.db2.gz KPEPRVZLQYJUQR-UHFFFAOYSA-N 1 2 299.374 3.151 20 30 CGEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000120075206 370735963 /nfs/dbraw/zinc/73/59/63/370735963.db2.gz LNJRHQJONQXYLB-GHMZBOCLSA-N 1 2 282.347 3.230 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cnc(C#N)cn1 ZINC000120555897 370780477 /nfs/dbraw/zinc/78/04/77/370780477.db2.gz AHDBNVDLQFGNSD-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO COc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C#N ZINC000047979330 369333707 /nfs/dbraw/zinc/33/37/07/369333707.db2.gz BLQNCLYOQDYMAU-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO COc1ccc(Br)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000047979330 369333711 /nfs/dbraw/zinc/33/37/11/369333711.db2.gz BLQNCLYOQDYMAU-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO COc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000047979331 369333869 /nfs/dbraw/zinc/33/38/69/369333869.db2.gz BLQNCLYOQDYMAU-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000047979331 369333873 /nfs/dbraw/zinc/33/38/73/369333873.db2.gz BLQNCLYOQDYMAU-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO CCC[N@H+](Cc1ncc(C)o1)Cc1ccc(C#N)cc1 ZINC000075626801 369915699 /nfs/dbraw/zinc/91/56/99/369915699.db2.gz NBDKYKIZPSEQDT-UHFFFAOYSA-N 1 2 269.348 3.267 20 30 CGEDLO CCC[N@@H+](Cc1ncc(C)o1)Cc1ccc(C#N)cc1 ZINC000075626801 369915706 /nfs/dbraw/zinc/91/57/06/369915706.db2.gz NBDKYKIZPSEQDT-UHFFFAOYSA-N 1 2 269.348 3.267 20 30 CGEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCCC#N)CC1 ZINC000075863181 369919486 /nfs/dbraw/zinc/91/94/86/369919486.db2.gz AMIBLTRGFJMBCG-CQSZACIVSA-N 1 2 291.826 3.322 20 30 CGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(C)c(F)c2)sc1C ZINC000088511936 370035212 /nfs/dbraw/zinc/03/52/12/370035212.db2.gz QYEFDXCQSNYOTN-UHFFFAOYSA-N 1 2 293.367 3.045 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)ccc1OC(F)F)C[C@@H](C)C#N ZINC000091983211 370086160 /nfs/dbraw/zinc/08/61/60/370086160.db2.gz QQAFSBQOGJRZGY-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1cc(OC)ccc1OC(F)F)C[C@@H](C)C#N ZINC000091983211 370086167 /nfs/dbraw/zinc/08/61/67/370086167.db2.gz QQAFSBQOGJRZGY-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO C=CC[N@@H+](Cc1cccn1C)Cc1ccccc1F ZINC000092404681 370096694 /nfs/dbraw/zinc/09/66/94/370096694.db2.gz MTMWOLODNBOCAW-UHFFFAOYSA-N 1 2 258.340 3.352 20 30 CGEDLO C=CC[N@H+](Cc1cccn1C)Cc1ccccc1F ZINC000092404681 370096698 /nfs/dbraw/zinc/09/66/98/370096698.db2.gz MTMWOLODNBOCAW-UHFFFAOYSA-N 1 2 258.340 3.352 20 30 CGEDLO C=CCN(Cc1c[nH+]c2c(C)cccn12)CC(F)(F)F ZINC000092471936 370098650 /nfs/dbraw/zinc/09/86/50/370098650.db2.gz JYACLWAVVJNZJL-UHFFFAOYSA-N 1 2 283.297 3.193 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1nccs1 ZINC000130331026 371025921 /nfs/dbraw/zinc/02/59/21/371025921.db2.gz BLLCKTKTOWJVHJ-CYBMUJFWSA-N 1 2 287.388 3.264 20 30 CGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000130537376 371041414 /nfs/dbraw/zinc/04/14/14/371041414.db2.gz CVUNOHLNSGPDRD-MRXNPFEDSA-N 1 2 298.365 3.374 20 30 CGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000130537376 371041417 /nfs/dbraw/zinc/04/14/17/371041417.db2.gz CVUNOHLNSGPDRD-MRXNPFEDSA-N 1 2 298.365 3.374 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000132920212 371212914 /nfs/dbraw/zinc/21/29/14/371212914.db2.gz RPHXIFAEXOAHLO-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C=CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000132920212 371212915 /nfs/dbraw/zinc/21/29/15/371212915.db2.gz RPHXIFAEXOAHLO-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C=CCCCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000288031718 371726325 /nfs/dbraw/zinc/72/63/25/371726325.db2.gz CYKUYYYDANQUCU-UHFFFAOYSA-N 1 2 277.412 3.375 20 30 CGEDLO COc1ccc(OCCC[N@H+](CC#N)C2CCCC2)cc1 ZINC000156719008 371991397 /nfs/dbraw/zinc/99/13/97/371991397.db2.gz SRVHDHLOHURHEC-UHFFFAOYSA-N 1 2 288.391 3.232 20 30 CGEDLO COc1ccc(OCCC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156719008 371991402 /nfs/dbraw/zinc/99/14/02/371991402.db2.gz SRVHDHLOHURHEC-UHFFFAOYSA-N 1 2 288.391 3.232 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000158436641 372068330 /nfs/dbraw/zinc/06/83/30/372068330.db2.gz ZDHTVZZUNNEXTL-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000158436641 372068336 /nfs/dbraw/zinc/06/83/36/372068336.db2.gz ZDHTVZZUNNEXTL-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C=CCN(Cc1c[nH+]cn1C(C)C)CC(F)(F)F ZINC000425323704 372122576 /nfs/dbraw/zinc/12/25/76/372122576.db2.gz JNUHCXIERWKLNA-UHFFFAOYSA-N 1 2 261.291 3.014 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159788240 372180407 /nfs/dbraw/zinc/18/04/07/372180407.db2.gz KTKNPAPNAWHMPH-CYBMUJFWSA-N 1 2 281.197 3.436 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159788240 372180408 /nfs/dbraw/zinc/18/04/08/372180408.db2.gz KTKNPAPNAWHMPH-CYBMUJFWSA-N 1 2 281.197 3.436 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000428469847 372217186 /nfs/dbraw/zinc/21/71/86/372217186.db2.gz LGDUOVZOSUXBRP-LLVKDONJSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000428469847 372217192 /nfs/dbraw/zinc/21/71/92/372217192.db2.gz LGDUOVZOSUXBRP-LLVKDONJSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428443689 372201732 /nfs/dbraw/zinc/20/17/32/372201732.db2.gz SJZXPNTXPDNIKV-HNNXBMFYSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428443689 372201742 /nfs/dbraw/zinc/20/17/42/372201742.db2.gz SJZXPNTXPDNIKV-HNNXBMFYSA-N 1 2 288.366 3.088 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)Cc2ccccc2O1 ZINC000429153084 372317721 /nfs/dbraw/zinc/31/77/21/372317721.db2.gz YTRZGNVYBRISBR-AWEZNQCLSA-N 1 2 278.355 3.341 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)Cc2ccccc2O1 ZINC000429153084 372317729 /nfs/dbraw/zinc/31/77/29/372317729.db2.gz YTRZGNVYBRISBR-AWEZNQCLSA-N 1 2 278.355 3.341 20 30 CGEDLO C=CC[N@H+](C/C=C\c1ccccc1OC)CCC#N ZINC000430083818 372383411 /nfs/dbraw/zinc/38/34/11/372383411.db2.gz IGIOZZPWLTTYJU-TWGQIWQCSA-N 1 2 256.349 3.110 20 30 CGEDLO C=CC[N@@H+](C/C=C\c1ccccc1OC)CCC#N ZINC000430083818 372383415 /nfs/dbraw/zinc/38/34/15/372383415.db2.gz IGIOZZPWLTTYJU-TWGQIWQCSA-N 1 2 256.349 3.110 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cc(Br)ccc1F ZINC000164671784 372527841 /nfs/dbraw/zinc/52/78/41/372527841.db2.gz KLUUUNDIAYWJJG-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000433309630 372588250 /nfs/dbraw/zinc/58/82/50/372588250.db2.gz BSRBJYBCXAGKEH-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000433309630 372588253 /nfs/dbraw/zinc/58/82/53/372588253.db2.gz BSRBJYBCXAGKEH-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO CC(C)n1cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000434979023 372719803 /nfs/dbraw/zinc/71/98/03/372719803.db2.gz QOHHNMSTQXJICD-UHFFFAOYSA-N 1 2 286.354 3.107 20 30 CGEDLO CC(C)n1cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000434979023 372719809 /nfs/dbraw/zinc/71/98/09/372719809.db2.gz QOHHNMSTQXJICD-UHFFFAOYSA-N 1 2 286.354 3.107 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000344831077 217325964 /nfs/dbraw/zinc/32/59/64/217325964.db2.gz UQJRWQVBQGODFA-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO COc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)ccc1C#N ZINC000442831201 373099512 /nfs/dbraw/zinc/09/95/12/373099512.db2.gz VNJQLCHJHCQPMJ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C[N@H+]2CCc3cc(F)ccc3C2)ccc1C#N ZINC000442831201 373099517 /nfs/dbraw/zinc/09/95/17/373099517.db2.gz VNJQLCHJHCQPMJ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccco1 ZINC000296386470 373115985 /nfs/dbraw/zinc/11/59/85/373115985.db2.gz JWQYJMOFVTTXMB-GFCCVEGCSA-N 1 2 272.352 3.072 20 30 CGEDLO C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2nccn21 ZINC000296672080 373215986 /nfs/dbraw/zinc/21/59/86/373215986.db2.gz FYHUSLQWWZOXLS-WFASDCNBSA-N 1 2 278.359 3.039 20 30 CGEDLO C=CC[C@@H]1[N@H+](Cc2nsc(N(C)C)n2)CCCC1(C)C ZINC000444790705 373277147 /nfs/dbraw/zinc/27/71/47/373277147.db2.gz KDIVNSNFTSUURN-LBPRGKRZSA-N 1 2 294.468 3.171 20 30 CGEDLO C=CC[C@@H]1[N@@H+](Cc2nsc(N(C)C)n2)CCCC1(C)C ZINC000444790705 373277154 /nfs/dbraw/zinc/27/71/54/373277154.db2.gz KDIVNSNFTSUURN-LBPRGKRZSA-N 1 2 294.468 3.171 20 30 CGEDLO CC(C)(C)[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000447827813 373501529 /nfs/dbraw/zinc/50/15/29/373501529.db2.gz CXWSUTBSTSPWRQ-QGZVFWFLSA-N 1 2 297.402 3.058 20 30 CGEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000447827813 373501534 /nfs/dbraw/zinc/50/15/34/373501534.db2.gz CXWSUTBSTSPWRQ-QGZVFWFLSA-N 1 2 297.402 3.058 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449337389 373681002 /nfs/dbraw/zinc/68/10/02/373681002.db2.gz RJRHETOBIZRIJY-UHFFFAOYSA-N 1 2 298.365 3.128 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449337389 373681010 /nfs/dbraw/zinc/68/10/10/373681010.db2.gz RJRHETOBIZRIJY-UHFFFAOYSA-N 1 2 298.365 3.128 20 30 CGEDLO N#Cc1cccc(C#N)c1NCc1ccccc1-n1cc[nH+]c1 ZINC000302587513 373899649 /nfs/dbraw/zinc/89/96/49/373899649.db2.gz VOEHHCAZNDFDGV-UHFFFAOYSA-N 1 2 299.337 3.228 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1cc(F)c(F)c(F)c1 ZINC000181013741 374069612 /nfs/dbraw/zinc/06/96/12/374069612.db2.gz ZSHIFQGVFRAKOK-UHFFFAOYSA-N 1 2 280.249 3.201 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1cc(F)c(F)c(F)c1 ZINC000181013741 374069622 /nfs/dbraw/zinc/06/96/22/374069622.db2.gz ZSHIFQGVFRAKOK-UHFFFAOYSA-N 1 2 280.249 3.201 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(O)c1 ZINC000181566825 374142500 /nfs/dbraw/zinc/14/25/00/374142500.db2.gz IKJNEGPBMVFGSJ-LLVKDONJSA-N 1 2 270.307 3.254 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2ncc(C)s2)c1O ZINC000182171189 374229074 /nfs/dbraw/zinc/22/90/74/374229074.db2.gz CDBYRDLZVGXDRF-VCBXAZPMSA-N 1 2 290.388 3.388 20 30 CGEDLO O=C(Nc1scnc1C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000328910466 374392999 /nfs/dbraw/zinc/39/29/99/374392999.db2.gz FPEYZNFYKHDBIC-JTQLQIEISA-N 1 2 288.376 3.068 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)ccc2[nH+]1 ZINC000328920649 374393225 /nfs/dbraw/zinc/39/32/25/374393225.db2.gz LYKNYCVUCCCNFM-PWSUYJOCSA-N 1 2 285.347 3.236 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CSc2ccccc21 ZINC000328986116 374398436 /nfs/dbraw/zinc/39/84/36/374398436.db2.gz ZWJFLODSFAUKJB-ZYHUDNBSSA-N 1 2 299.399 3.113 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CSc2ccccc21 ZINC000328986116 374398440 /nfs/dbraw/zinc/39/84/40/374398440.db2.gz ZWJFLODSFAUKJB-ZYHUDNBSSA-N 1 2 299.399 3.113 20 30 CGEDLO CC[C@H]1CC[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)O1 ZINC000329748883 374427081 /nfs/dbraw/zinc/42/70/81/374427081.db2.gz FTXUSNFLQGJUBB-STQMWFEESA-N 1 2 273.336 3.188 20 30 CGEDLO CCCOC1(CNC(=O)c2c[nH+]c(C)[nH]2)CCCCC1 ZINC000330435797 374464395 /nfs/dbraw/zinc/46/43/95/374464395.db2.gz AOSNSLGQKVNVRU-UHFFFAOYSA-N 1 2 279.384 3.152 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335180218 375205586 /nfs/dbraw/zinc/20/55/86/375205586.db2.gz ZVICDAUAGNIUNY-CRAIPNDOSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335180218 375205591 /nfs/dbraw/zinc/20/55/91/375205591.db2.gz ZVICDAUAGNIUNY-CRAIPNDOSA-N 1 2 296.345 3.005 20 30 CGEDLO C=C(C[NH2+][C@@H](CC(C)C)C(=O)OCC)c1ccccc1 ZINC000488239843 375306927 /nfs/dbraw/zinc/30/69/27/375306927.db2.gz DPPOGAWDHJLVBR-INIZCTEOSA-N 1 2 275.392 3.267 20 30 CGEDLO CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1F ZINC000495172636 375496966 /nfs/dbraw/zinc/49/69/66/375496966.db2.gz KQVNJLDUTYSCCP-GFCCVEGCSA-N 1 2 264.344 3.206 20 30 CGEDLO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1F ZINC000495172636 375496976 /nfs/dbraw/zinc/49/69/76/375496976.db2.gz KQVNJLDUTYSCCP-GFCCVEGCSA-N 1 2 264.344 3.206 20 30 CGEDLO C=CCC1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CCC1 ZINC000191157212 375585595 /nfs/dbraw/zinc/58/55/95/375585595.db2.gz SXUSIJGOGFBDLU-UHFFFAOYSA-N 1 2 297.402 3.207 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000191074839 375572279 /nfs/dbraw/zinc/57/22/79/375572279.db2.gz ZIBRLJAOOCEFKX-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccc(F)cc2)n1 ZINC000191074839 375572282 /nfs/dbraw/zinc/57/22/82/375572282.db2.gz ZIBRLJAOOCEFKX-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C[C@]1(F)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000501419309 375639124 /nfs/dbraw/zinc/63/91/24/375639124.db2.gz NWZVKEBFXLRMPB-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@]1(F)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000501419309 375639132 /nfs/dbraw/zinc/63/91/32/375639132.db2.gz NWZVKEBFXLRMPB-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO Cn1cc(CNc2[nH+]c3c(cccc3Cl)n2C)cc1C#N ZINC000191569841 375641147 /nfs/dbraw/zinc/64/11/47/375641147.db2.gz CBUMVWVMYAYVQB-UHFFFAOYSA-N 1 2 299.765 3.049 20 30 CGEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCC#N)CC1 ZINC000336408193 375791466 /nfs/dbraw/zinc/79/14/66/375791466.db2.gz BVSHMFSYSXXIAU-UHFFFAOYSA-N 1 2 265.360 3.479 20 30 CGEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCC#N)CC1 ZINC000336408193 375791471 /nfs/dbraw/zinc/79/14/71/375791471.db2.gz BVSHMFSYSXXIAU-UHFFFAOYSA-N 1 2 265.360 3.479 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000337080821 376073825 /nfs/dbraw/zinc/07/38/25/376073825.db2.gz XQFUEGJZJQXAGJ-CHWSQXEVSA-N 1 2 289.423 3.109 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000337080821 376073833 /nfs/dbraw/zinc/07/38/33/376073833.db2.gz XQFUEGJZJQXAGJ-CHWSQXEVSA-N 1 2 289.423 3.109 20 30 CGEDLO C=C1CC[NH+](Cc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000536755801 376129961 /nfs/dbraw/zinc/12/99/61/376129961.db2.gz IQMHISLJCGOVGD-UHFFFAOYSA-N 1 2 288.420 3.042 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2ccc(F)c(C#N)c2)c1 ZINC000214103677 376142618 /nfs/dbraw/zinc/14/26/18/376142618.db2.gz HMKUJMYOQNQOAZ-UHFFFAOYSA-N 1 2 271.295 3.022 20 30 CGEDLO C=CCOc1ccc(C[NH2+]C2(C(F)F)CC2)cc1OC ZINC000337319202 376212277 /nfs/dbraw/zinc/21/22/77/376212277.db2.gz ZMKDBQPHPPXXKQ-UHFFFAOYSA-N 1 2 283.318 3.147 20 30 CGEDLO CC(C)[C@H](C#N)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337825183 376240432 /nfs/dbraw/zinc/24/04/32/376240432.db2.gz QKAJHIUZTWVWNV-HNNXBMFYSA-N 1 2 295.342 3.152 20 30 CGEDLO CCn1c2ccccc2nc1C[NH+]1CCC(C)(C#N)CC1 ZINC000540952793 376408345 /nfs/dbraw/zinc/40/83/45/376408345.db2.gz DNHPYZBWKXFOQE-UHFFFAOYSA-N 1 2 282.391 3.182 20 30 CGEDLO C=CCCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000263767947 190078048 /nfs/dbraw/zinc/07/80/48/190078048.db2.gz DVEQRHYOEBWYBE-GFCCVEGCSA-N 1 2 293.436 3.280 20 30 CGEDLO C=CCCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000263767947 190078049 /nfs/dbraw/zinc/07/80/49/190078049.db2.gz DVEQRHYOEBWYBE-GFCCVEGCSA-N 1 2 293.436 3.280 20 30 CGEDLO COc1cc(C)[nH+]c(COc2cc(C#N)ccc2C)c1 ZINC000229863900 376472895 /nfs/dbraw/zinc/47/28/95/376472895.db2.gz KBOZKFZMFXSCRG-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)s1 ZINC000230648852 376526280 /nfs/dbraw/zinc/52/62/80/376526280.db2.gz FZMFHSLWICWNON-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO CCS[C@H](C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000542879241 376587539 /nfs/dbraw/zinc/58/75/39/376587539.db2.gz PKHWZBDYSCXBOH-LLVKDONJSA-N 1 2 294.424 3.009 20 30 CGEDLO CCc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000544110864 376704797 /nfs/dbraw/zinc/70/47/97/376704797.db2.gz VAMZGUSOUJNRCK-UHFFFAOYSA-N 1 2 281.359 3.273 20 30 CGEDLO CCc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000544110864 376704804 /nfs/dbraw/zinc/70/48/04/376704804.db2.gz VAMZGUSOUJNRCK-UHFFFAOYSA-N 1 2 281.359 3.273 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cnc3ccc(Cl)cn23)c1 ZINC000545219006 376800988 /nfs/dbraw/zinc/80/09/88/376800988.db2.gz HMVPVSKWRJDJTJ-UHFFFAOYSA-N 1 2 297.749 3.061 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000248088361 377267537 /nfs/dbraw/zinc/26/75/37/377267537.db2.gz DZNXRWMBEZNLIZ-UHFFFAOYSA-N 1 2 298.839 3.034 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000248088361 377267542 /nfs/dbraw/zinc/26/75/42/377267542.db2.gz DZNXRWMBEZNLIZ-UHFFFAOYSA-N 1 2 298.839 3.034 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000565172595 377483753 /nfs/dbraw/zinc/48/37/53/377483753.db2.gz LJMCGQRPVXDASF-ONGXEEELSA-N 1 2 297.761 3.088 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000249902403 377540724 /nfs/dbraw/zinc/54/07/24/377540724.db2.gz UCELMVCHOASMNA-IUODEOHRSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000249902403 377540728 /nfs/dbraw/zinc/54/07/28/377540728.db2.gz UCELMVCHOASMNA-IUODEOHRSA-N 1 2 287.407 3.112 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000516702134 249242116 /nfs/dbraw/zinc/24/21/16/249242116.db2.gz PUDZWUGDPXFXBI-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000516702134 249242119 /nfs/dbraw/zinc/24/21/19/249242119.db2.gz PUDZWUGDPXFXBI-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO COC(=O)c1occc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000342211716 377633418 /nfs/dbraw/zinc/63/34/18/377633418.db2.gz UOYRNXQDFIMSCZ-OAHLLOKOSA-N 1 2 298.342 3.201 20 30 CGEDLO Cc1cc(Br)cc2c1C[N@H+](CCCC#N)CC2 ZINC000342305969 377640719 /nfs/dbraw/zinc/64/07/19/377640719.db2.gz QOPCRUUJJOIUSE-UHFFFAOYSA-N 1 2 293.208 3.419 20 30 CGEDLO Cc1cc(Br)cc2c1C[N@@H+](CCCC#N)CC2 ZINC000342305969 377640726 /nfs/dbraw/zinc/64/07/26/377640726.db2.gz QOPCRUUJJOIUSE-UHFFFAOYSA-N 1 2 293.208 3.419 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC1(C#N)CC1 ZINC000343239108 377937506 /nfs/dbraw/zinc/93/75/06/377937506.db2.gz PPBKUNROWHUKAO-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000343239108 377937511 /nfs/dbraw/zinc/93/75/11/377937511.db2.gz PPBKUNROWHUKAO-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO CC(C)Oc1cc(C[N@H+](CC2(C#N)CC2)C2CC2)ccn1 ZINC000343283022 377946195 /nfs/dbraw/zinc/94/61/95/377946195.db2.gz NBDPUXUODYGKKY-UHFFFAOYSA-N 1 2 285.391 3.137 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+](CC2(C#N)CC2)C2CC2)ccn1 ZINC000343283022 377946201 /nfs/dbraw/zinc/94/62/01/377946201.db2.gz NBDPUXUODYGKKY-UHFFFAOYSA-N 1 2 285.391 3.137 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCSC2)c(O)c1 ZINC000266337442 378019223 /nfs/dbraw/zinc/01/92/23/378019223.db2.gz LRBHVNJCFOSNIN-KMHUVPDISA-N 1 2 265.378 3.105 20 30 CGEDLO N#Cc1ccc(Cl)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000264631907 377990004 /nfs/dbraw/zinc/99/00/04/377990004.db2.gz KZHOXIDJHKEQPH-UHFFFAOYSA-N 1 2 286.766 3.250 20 30 CGEDLO C=CCCCC[C@@H](C)[NH2+]Cc1[nH]ncc1Br ZINC000579553981 378171623 /nfs/dbraw/zinc/17/16/23/378171623.db2.gz OPYGRHWOMZYFKX-SNVBAGLBSA-N 1 2 286.217 3.397 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000269541293 378234255 /nfs/dbraw/zinc/23/42/55/378234255.db2.gz AYRXITSZEYKEDF-CYBMUJFWSA-N 1 2 288.391 3.233 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000269541293 378234260 /nfs/dbraw/zinc/23/42/60/378234260.db2.gz AYRXITSZEYKEDF-CYBMUJFWSA-N 1 2 288.391 3.233 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000271129288 378458878 /nfs/dbraw/zinc/45/88/78/378458878.db2.gz ITSWVHWCVSLGIF-UHFFFAOYSA-N 1 2 295.308 3.047 20 30 CGEDLO C#CC[N@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000271129288 378458884 /nfs/dbraw/zinc/45/88/84/378458884.db2.gz ITSWVHWCVSLGIF-UHFFFAOYSA-N 1 2 295.308 3.047 20 30 CGEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1Br ZINC000271131639 378460019 /nfs/dbraw/zinc/46/00/19/378460019.db2.gz OTSIKVJAKYVIKD-SNVBAGLBSA-N 1 2 281.197 3.349 20 30 CGEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1Br ZINC000271131639 378460021 /nfs/dbraw/zinc/46/00/21/378460021.db2.gz OTSIKVJAKYVIKD-SNVBAGLBSA-N 1 2 281.197 3.349 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000271368213 378490294 /nfs/dbraw/zinc/49/02/94/378490294.db2.gz ZUBAEMVAUSGJPS-LIPKVFPISA-N 1 2 277.364 3.023 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCO[C@H](C)C2)c1O ZINC000271447323 378494102 /nfs/dbraw/zinc/49/41/02/378494102.db2.gz UBNBBLIQJUDMCW-GWMMYCTHSA-N 1 2 277.364 3.025 20 30 CGEDLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C#N)cc1F ZINC000346521222 378602234 /nfs/dbraw/zinc/60/22/34/378602234.db2.gz BTSMLQQZVMJDGM-ABAIWWIYSA-N 1 2 288.322 3.065 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1ccn(C(F)F)n1)c1ccccc1 ZINC000346662752 378666666 /nfs/dbraw/zinc/66/66/66/378666666.db2.gz FFVNBYUUXDLWIE-AWEZNQCLSA-N 1 2 290.317 3.413 20 30 CGEDLO C=CCC(CC=C)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000272717924 378694120 /nfs/dbraw/zinc/69/41/20/378694120.db2.gz YVXBMLUBJXVVRP-AWEZNQCLSA-N 1 2 291.395 3.087 20 30 CGEDLO C=CCC(CC=C)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000272717924 378694124 /nfs/dbraw/zinc/69/41/24/378694124.db2.gz YVXBMLUBJXVVRP-AWEZNQCLSA-N 1 2 291.395 3.087 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000346923753 378696212 /nfs/dbraw/zinc/69/62/12/378696212.db2.gz QYCUMMROPHYKRT-UHFFFAOYSA-N 1 2 295.386 3.422 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000274284274 378802553 /nfs/dbraw/zinc/80/25/53/378802553.db2.gz YYAVGOMJDFKIQE-RKDXNWHRSA-N 1 2 290.367 3.269 20 30 CGEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000274348861 378817048 /nfs/dbraw/zinc/81/70/48/378817048.db2.gz WJSWPCLUWJFUQN-UHFFFAOYSA-N 1 2 271.389 3.356 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000274348861 378817051 /nfs/dbraw/zinc/81/70/51/378817051.db2.gz WJSWPCLUWJFUQN-UHFFFAOYSA-N 1 2 271.389 3.356 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000348577193 378997219 /nfs/dbraw/zinc/99/72/19/378997219.db2.gz QDHUAYDBFOEVKI-LBPRGKRZSA-N 1 2 298.390 3.284 20 30 CGEDLO FC(F)(F)C1=CC[N@H+](CC#Cc2ccccc2)CC1 ZINC000277092783 379068045 /nfs/dbraw/zinc/06/80/45/379068045.db2.gz ZDFVKACYNSEAIX-UHFFFAOYSA-N 1 2 265.278 3.233 20 30 CGEDLO FC(F)(F)C1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000277092783 379068053 /nfs/dbraw/zinc/06/80/53/379068053.db2.gz ZDFVKACYNSEAIX-UHFFFAOYSA-N 1 2 265.278 3.233 20 30 CGEDLO C[N@H+](Cc1cc(C(C)(C)C)on1)Cc1cccc(C#N)c1 ZINC000278725128 194123278 /nfs/dbraw/zinc/12/32/78/194123278.db2.gz VKWVDZJADYVBIA-UHFFFAOYSA-N 1 2 283.375 3.476 20 30 CGEDLO C[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1cccc(C#N)c1 ZINC000278725128 194123279 /nfs/dbraw/zinc/12/32/79/194123279.db2.gz VKWVDZJADYVBIA-UHFFFAOYSA-N 1 2 283.375 3.476 20 30 CGEDLO COC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C)o1 ZINC000347634860 218299688 /nfs/dbraw/zinc/29/96/88/218299688.db2.gz KIBVWRALYPSPJP-CQSZACIVSA-N 1 2 288.322 3.076 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C2CCC2)no1 ZINC000639571333 379481765 /nfs/dbraw/zinc/48/17/65/379481765.db2.gz GVVJEXLVJONQOS-UHFFFAOYSA-N 1 2 287.363 3.161 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C2CCC2)no1 ZINC000639571333 379481772 /nfs/dbraw/zinc/48/17/72/379481772.db2.gz GVVJEXLVJONQOS-UHFFFAOYSA-N 1 2 287.363 3.161 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375352882 379493619 /nfs/dbraw/zinc/49/36/19/379493619.db2.gz MTROYUCBOZGXKG-QGZVFWFLSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375352882 379493625 /nfs/dbraw/zinc/49/36/25/379493625.db2.gz MTROYUCBOZGXKG-QGZVFWFLSA-N 1 2 295.386 3.149 20 30 CGEDLO C=CC[N@@H+](Cc1cc(O)ccc1Br)C1CC1 ZINC000350270738 379533525 /nfs/dbraw/zinc/53/35/25/379533525.db2.gz UOZJLMLHYJJKQM-UHFFFAOYSA-N 1 2 282.181 3.305 20 30 CGEDLO C=CC[N@H+](Cc1cc(O)ccc1Br)C1CC1 ZINC000350270738 379533532 /nfs/dbraw/zinc/53/35/32/379533532.db2.gz UOZJLMLHYJJKQM-UHFFFAOYSA-N 1 2 282.181 3.305 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000351060990 379631647 /nfs/dbraw/zinc/63/16/47/379631647.db2.gz GGKRVCKTPYXUOK-UHFFFAOYSA-N 1 2 283.331 3.090 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000351060990 379631653 /nfs/dbraw/zinc/63/16/53/379631653.db2.gz GGKRVCKTPYXUOK-UHFFFAOYSA-N 1 2 283.331 3.090 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)no1 ZINC000377014706 379625636 /nfs/dbraw/zinc/62/56/36/379625636.db2.gz ODDIQJMGLCBDFD-MRXNPFEDSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)no1 ZINC000377014706 379625640 /nfs/dbraw/zinc/62/56/40/379625640.db2.gz ODDIQJMGLCBDFD-MRXNPFEDSA-N 1 2 285.322 3.331 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000640119309 379725706 /nfs/dbraw/zinc/72/57/06/379725706.db2.gz IUKNUFONNGDKIS-UHFFFAOYSA-N 1 2 284.363 3.192 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000280992442 379812667 /nfs/dbraw/zinc/81/26/67/379812667.db2.gz JFBKZUXLBDPPSF-OAHLLOKOSA-N 1 2 298.390 3.026 20 30 CGEDLO N#CC1(F)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000352441944 379815918 /nfs/dbraw/zinc/81/59/18/379815918.db2.gz HHTLUIMCILTEHF-UHFFFAOYSA-N 1 2 276.742 3.019 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000352874234 380015164 /nfs/dbraw/zinc/01/51/64/380015164.db2.gz ZLOYEUIMSOBWKH-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352874234 380015166 /nfs/dbraw/zinc/01/51/66/380015166.db2.gz ZLOYEUIMSOBWKH-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353167358 380149351 /nfs/dbraw/zinc/14/93/51/380149351.db2.gz FKNJKMWWNHRRJE-CQSZACIVSA-N 1 2 280.318 3.057 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353167358 380149357 /nfs/dbraw/zinc/14/93/57/380149357.db2.gz FKNJKMWWNHRRJE-CQSZACIVSA-N 1 2 280.318 3.057 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)CCC#N)n1 ZINC000411317919 380141495 /nfs/dbraw/zinc/14/14/95/380141495.db2.gz CSILFXXGUPTRKL-QWRGUYRKSA-N 1 2 282.413 3.008 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)CCC#N)n1 ZINC000411317919 380141498 /nfs/dbraw/zinc/14/14/98/380141498.db2.gz CSILFXXGUPTRKL-QWRGUYRKSA-N 1 2 282.413 3.008 20 30 CGEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1c(F)cncc1F ZINC000353113743 380120121 /nfs/dbraw/zinc/12/01/21/380120121.db2.gz AGAJFPDFFLBSBF-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C[N@H+](Cc1ncccc1C(F)(F)F)CC(C)(C)C#N ZINC000354012286 380278591 /nfs/dbraw/zinc/27/85/91/380278591.db2.gz YNDGJNBBBOWRGH-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO C[N@@H+](Cc1ncccc1C(F)(F)F)CC(C)(C)C#N ZINC000354012286 380278596 /nfs/dbraw/zinc/27/85/96/380278596.db2.gz YNDGJNBBBOWRGH-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354025220 380285176 /nfs/dbraw/zinc/28/51/76/380285176.db2.gz AFTWWXXCMMSTTH-LLVKDONJSA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354025220 380285179 /nfs/dbraw/zinc/28/51/79/380285179.db2.gz AFTWWXXCMMSTTH-LLVKDONJSA-N 1 2 263.410 3.391 20 30 CGEDLO COc1ccccc1/C=C/C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354045529 380299010 /nfs/dbraw/zinc/29/90/10/380299010.db2.gz VKDUTZZKYVPMGD-DYLGSBMWSA-N 1 2 270.376 3.332 20 30 CGEDLO COc1ccccc1/C=C/C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354045529 380299016 /nfs/dbraw/zinc/29/90/16/380299016.db2.gz VKDUTZZKYVPMGD-DYLGSBMWSA-N 1 2 270.376 3.332 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356485580 380801748 /nfs/dbraw/zinc/80/17/48/380801748.db2.gz XPUKNRVSMSIJMJ-DZGCQCFKSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356485580 380801755 /nfs/dbraw/zinc/80/17/55/380801755.db2.gz XPUKNRVSMSIJMJ-DZGCQCFKSA-N 1 2 287.407 3.112 20 30 CGEDLO Cn1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1C#N ZINC000334756995 207023840 /nfs/dbraw/zinc/02/38/40/207023840.db2.gz XNYOMAXTEFBYGH-MRXNPFEDSA-N 1 2 281.359 3.217 20 30 CGEDLO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1C#N ZINC000334756995 207023842 /nfs/dbraw/zinc/02/38/42/207023842.db2.gz XNYOMAXTEFBYGH-MRXNPFEDSA-N 1 2 281.359 3.217 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063518 380817727 /nfs/dbraw/zinc/81/77/27/380817727.db2.gz IRWIWHYOVAXZON-CJNGLKHVSA-N 1 2 261.340 3.001 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646063518 380817732 /nfs/dbraw/zinc/81/77/32/380817732.db2.gz IRWIWHYOVAXZON-CJNGLKHVSA-N 1 2 261.340 3.001 20 30 CGEDLO C=CCOCCSCCc1[nH+]c2ccccc2n1C ZINC000419512776 380831791 /nfs/dbraw/zinc/83/17/91/380831791.db2.gz DLLPNVDSDNCFIO-UHFFFAOYSA-N 1 2 276.405 3.052 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000288671869 197141668 /nfs/dbraw/zinc/14/16/68/197141668.db2.gz CHCWLAUCTBMROG-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCc3occc3C2)c1 ZINC000288671869 197141670 /nfs/dbraw/zinc/14/16/70/197141670.db2.gz CHCWLAUCTBMROG-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)o1 ZINC000367164551 382336000 /nfs/dbraw/zinc/33/60/00/382336000.db2.gz PPMDTCVQNKEROJ-MRXNPFEDSA-N 1 2 270.307 3.222 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)o1 ZINC000367164551 382336003 /nfs/dbraw/zinc/33/60/03/382336003.db2.gz PPMDTCVQNKEROJ-MRXNPFEDSA-N 1 2 270.307 3.222 20 30 CGEDLO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1F ZINC000353856100 220369965 /nfs/dbraw/zinc/36/99/65/220369965.db2.gz PEKGAODGIAWSJE-MEDUHNTESA-N 1 2 298.365 3.233 20 30 CGEDLO COc1ccc([C@H]2CCN(c3cc(C)[nH+]cc3C#N)C2)cc1 ZINC000425224778 533207633 /nfs/dbraw/zinc/20/76/33/533207633.db2.gz OSLZDMOERFFUIV-HNNXBMFYSA-N 1 2 293.370 3.264 20 30 CGEDLO CCn1nc(C)c(C[N@H+](CCC#N)CCC(C)C)c1C ZINC000093100843 392234558 /nfs/dbraw/zinc/23/45/58/392234558.db2.gz YBYKMLCLRRUWMP-UHFFFAOYSA-N 1 2 276.428 3.282 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](CCC#N)CCC(C)C)c1C ZINC000093100843 392234559 /nfs/dbraw/zinc/23/45/59/392234559.db2.gz YBYKMLCLRRUWMP-UHFFFAOYSA-N 1 2 276.428 3.282 20 30 CGEDLO CC(C)COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000093090659 392233945 /nfs/dbraw/zinc/23/39/45/392233945.db2.gz ASGMJCIVGGKOPN-CQSZACIVSA-N 1 2 260.381 3.455 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000093090659 392233949 /nfs/dbraw/zinc/23/39/49/392233949.db2.gz ASGMJCIVGGKOPN-CQSZACIVSA-N 1 2 260.381 3.455 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000123691944 392429375 /nfs/dbraw/zinc/42/93/75/392429375.db2.gz IHZQETWCWGEGEN-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cn(C(C)C)nn1)Cc1ccccc1 ZINC000289746349 392431348 /nfs/dbraw/zinc/43/13/48/392431348.db2.gz PQGIBCFVZGZYGW-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C=C(C)C[N@H+](Cc1cn(C(C)C)nn1)Cc1ccccc1 ZINC000289746349 392431357 /nfs/dbraw/zinc/43/13/57/392431357.db2.gz PQGIBCFVZGZYGW-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@]2(C)CCCS2)c1O ZINC000121017995 392406383 /nfs/dbraw/zinc/40/63/83/392406383.db2.gz XOHDKQSKALSGHG-UWZYDCLUSA-N 1 2 265.378 3.105 20 30 CGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC#N ZINC000121092807 392409237 /nfs/dbraw/zinc/40/92/37/392409237.db2.gz DRBCYVMPAHIUHS-LLVKDONJSA-N 1 2 251.399 3.481 20 30 CGEDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC#N ZINC000121092807 392409241 /nfs/dbraw/zinc/40/92/41/392409241.db2.gz DRBCYVMPAHIUHS-LLVKDONJSA-N 1 2 251.399 3.481 20 30 CGEDLO Cc1ccc(C(C)(C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329447464 392681947 /nfs/dbraw/zinc/68/19/47/392681947.db2.gz CTHZMKUTVOAQQD-CYBMUJFWSA-N 1 2 298.390 3.041 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000374676486 392688268 /nfs/dbraw/zinc/68/82/68/392688268.db2.gz PDJZODTUMWOSBM-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000374676486 392688273 /nfs/dbraw/zinc/68/82/73/392688273.db2.gz PDJZODTUMWOSBM-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000372639774 392623983 /nfs/dbraw/zinc/62/39/83/392623983.db2.gz NTBQKRYNLPUXOX-INIZCTEOSA-N 1 2 283.375 3.312 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000372639774 392623986 /nfs/dbraw/zinc/62/39/86/392623986.db2.gz NTBQKRYNLPUXOX-INIZCTEOSA-N 1 2 283.375 3.312 20 30 CGEDLO Cc1nc(C2([NH2+]Cc3ccc(C#N)cc3C)CCCC2)no1 ZINC000186244644 392780020 /nfs/dbraw/zinc/78/00/20/392780020.db2.gz YHGKMSUVVOWCJH-UHFFFAOYSA-N 1 2 296.374 3.117 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000525632910 392941037 /nfs/dbraw/zinc/94/10/37/392941037.db2.gz TXYMJAZZLCSUFR-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000525632910 392941043 /nfs/dbraw/zinc/94/10/43/392941043.db2.gz TXYMJAZZLCSUFR-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000527620853 392956715 /nfs/dbraw/zinc/95/67/15/392956715.db2.gz ZZPCRJZIJCCZGE-UHFFFAOYSA-N 1 2 292.386 3.030 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000527620853 392956718 /nfs/dbraw/zinc/95/67/18/392956718.db2.gz ZZPCRJZIJCCZGE-UHFFFAOYSA-N 1 2 292.386 3.030 20 30 CGEDLO CCC(C)(C)OC1C[NH+](Cc2cc(C#N)cs2)C1 ZINC000529640863 392980346 /nfs/dbraw/zinc/98/03/46/392980346.db2.gz LGIZLDBUGYMERK-UHFFFAOYSA-N 1 2 264.394 3.009 20 30 CGEDLO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1csnn1 ZINC000412047990 392995409 /nfs/dbraw/zinc/99/54/09/392995409.db2.gz WXKXHJAMZPYLJO-NSHDSACASA-N 1 2 264.398 3.053 20 30 CGEDLO CCOc1ccccc1C1=CC[N@H+](CC2(C#N)CC2)CC1 ZINC000343318436 393025841 /nfs/dbraw/zinc/02/58/41/393025841.db2.gz XRCXMXSVQXBFRU-UHFFFAOYSA-N 1 2 282.387 3.478 20 30 CGEDLO CCOc1ccccc1C1=CC[N@@H+](CC2(C#N)CC2)CC1 ZINC000343318436 393025848 /nfs/dbraw/zinc/02/58/48/393025848.db2.gz XRCXMXSVQXBFRU-UHFFFAOYSA-N 1 2 282.387 3.478 20 30 CGEDLO C=CCn1cccc1-c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000346126417 393076279 /nfs/dbraw/zinc/07/62/79/393076279.db2.gz WAWXMTPQMTWHFH-UHFFFAOYSA-N 1 2 280.331 3.018 20 30 CGEDLO Cc1[nH+]cc(CN2CCC(F)(C#N)CC2)n1-c1ccccc1 ZINC000348711061 393128808 /nfs/dbraw/zinc/12/88/08/393128808.db2.gz QFWGXIZABCJWOT-UHFFFAOYSA-N 1 2 298.365 3.008 20 30 CGEDLO Cc1ncc(C[NH+]2CCC(F)(C#N)CC2)n1-c1ccccc1 ZINC000348711061 393128814 /nfs/dbraw/zinc/12/88/14/393128814.db2.gz QFWGXIZABCJWOT-UHFFFAOYSA-N 1 2 298.365 3.008 20 30 CGEDLO C=CCC1(C(=O)N2CCn3cc(C)[nH+]c3C2)CCCCC1 ZINC000649367428 393407005 /nfs/dbraw/zinc/40/70/05/393407005.db2.gz HYZVSWNQZVCUSW-UHFFFAOYSA-N 1 2 287.407 3.060 20 30 CGEDLO CC(C)C[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000427005563 393452654 /nfs/dbraw/zinc/45/26/54/393452654.db2.gz UGAAIQSQACQQMF-KRWDZBQOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)C[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000427005563 393452660 /nfs/dbraw/zinc/45/26/60/393452660.db2.gz UGAAIQSQACQQMF-KRWDZBQOSA-N 1 2 291.822 3.438 20 30 CGEDLO C=CCCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000358956092 393530987 /nfs/dbraw/zinc/53/09/87/393530987.db2.gz SDOXGUVJZFWROE-UHFFFAOYSA-N 1 2 273.311 3.048 20 30 CGEDLO CC[C@H]([NH2+]CCC#N)c1ccccc1OC(F)F ZINC000359061045 393535245 /nfs/dbraw/zinc/53/52/45/393535245.db2.gz BLYOUKPFWPRJPV-NSHDSACASA-N 1 2 254.280 3.242 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3ccc(C)cc3C2)cc1C#N ZINC000361114953 393676380 /nfs/dbraw/zinc/67/63/80/393676380.db2.gz VDLUOQAZWCADMT-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3ccc(C)cc3C2)cc1C#N ZINC000361114953 393676385 /nfs/dbraw/zinc/67/63/85/393676385.db2.gz VDLUOQAZWCADMT-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO C=C(C)CN(CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667949920 542948312 /nfs/dbraw/zinc/94/83/12/542948312.db2.gz RZDOZHMRWVTKNX-UHFFFAOYSA-N 1 2 272.352 3.073 20 30 CGEDLO C=CCc1cc(C[NH2+][C@@H]2CCCC2(F)F)cc(OC)c1O ZINC000673618630 543248328 /nfs/dbraw/zinc/24/83/28/543248328.db2.gz WHWVKCDGSSPOHR-CQSZACIVSA-N 1 2 297.345 3.407 20 30 CGEDLO Cc1ccc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)c(C)[nH+]1 ZINC000329359175 292141164 /nfs/dbraw/zinc/14/11/64/292141164.db2.gz GKCUKCRSVWAXIR-SKDRFNHKSA-N 1 2 260.337 3.292 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Cl ZINC000075596315 287026196 /nfs/dbraw/zinc/02/61/96/287026196.db2.gz IZMZBZNQTCEERM-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1Cl ZINC000075596315 287026197 /nfs/dbraw/zinc/02/61/97/287026197.db2.gz IZMZBZNQTCEERM-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO COc1c(C)c[nH+]c(CN(C)c2ccc(C#N)cc2F)c1C ZINC000080970820 287069756 /nfs/dbraw/zinc/06/97/56/287069756.db2.gz DDJUBFFWRANEPZ-UHFFFAOYSA-N 1 2 299.349 3.354 20 30 CGEDLO CC[N@@H+](Cc1ccc(Br)s1)C[C@H](C)C#N ZINC000044296870 175161598 /nfs/dbraw/zinc/16/15/98/175161598.db2.gz UEKXDEGROIGRGK-SECBINFHSA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@H+](Cc1ccc(Br)s1)C[C@H](C)C#N ZINC000044296870 175161600 /nfs/dbraw/zinc/16/16/00/175161600.db2.gz UEKXDEGROIGRGK-SECBINFHSA-N 1 2 287.226 3.492 20 30 CGEDLO C=CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694716 176001992 /nfs/dbraw/zinc/00/19/92/176001992.db2.gz SASKGCFOGWIMEF-ZDUSSCGKSA-N 1 2 282.181 3.008 20 30 CGEDLO C=CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694716 176001993 /nfs/dbraw/zinc/00/19/93/176001993.db2.gz SASKGCFOGWIMEF-ZDUSSCGKSA-N 1 2 282.181 3.008 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000680426879 543709919 /nfs/dbraw/zinc/70/99/19/543709919.db2.gz JTSULUMGYGZMSF-KBPBESRZSA-N 1 2 283.375 3.113 20 30 CGEDLO Cc1cc2[nH+]cn(CC(=O)c3ccc(C#N)cc3)c2cc1C ZINC000192840688 227302262 /nfs/dbraw/zinc/30/22/62/227302262.db2.gz XJVRTXGBSFDEEV-UHFFFAOYSA-N 1 2 289.338 3.408 20 30 CGEDLO C=CCOCCCNc1cc[nH+]c2c(OC)cccc12 ZINC000664389249 418947661 /nfs/dbraw/zinc/94/76/61/418947661.db2.gz ZEGJPVRHVVFKFY-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)nc(C)n1)Cc1ccccc1F ZINC000659852172 419013867 /nfs/dbraw/zinc/01/38/67/419013867.db2.gz MFFWEAJIFUXEIP-UHFFFAOYSA-N 1 2 285.366 3.421 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)nc(C)n1)Cc1ccccc1F ZINC000659852172 419013872 /nfs/dbraw/zinc/01/38/72/419013872.db2.gz MFFWEAJIFUXEIP-UHFFFAOYSA-N 1 2 285.366 3.421 20 30 CGEDLO C=CCC1(c2nc(Cc3c[nH+]ccc3C)no2)CCC1 ZINC000664983465 419033935 /nfs/dbraw/zinc/03/39/35/419033935.db2.gz UHULXAXNWCBXPG-UHFFFAOYSA-N 1 2 269.348 3.362 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCCc2[nH+]cc(C)cc2C)c1 ZINC000656211060 419150531 /nfs/dbraw/zinc/15/05/31/419150531.db2.gz OGEIZUFGJLYFOE-UHFFFAOYSA-N 1 2 293.370 3.427 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000661378730 419255647 /nfs/dbraw/zinc/25/56/47/419255647.db2.gz LHUZLLGLKYWOND-ZDUSSCGKSA-N 1 2 263.385 3.200 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000661378730 419255650 /nfs/dbraw/zinc/25/56/50/419255650.db2.gz LHUZLLGLKYWOND-ZDUSSCGKSA-N 1 2 263.385 3.200 20 30 CGEDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356069877 228109614 /nfs/dbraw/zinc/10/96/14/228109614.db2.gz WPBOFSAVRIEAFP-VIFPVBQESA-N 1 2 263.391 3.269 20 30 CGEDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356069877 228109616 /nfs/dbraw/zinc/10/96/16/228109616.db2.gz WPBOFSAVRIEAFP-VIFPVBQESA-N 1 2 263.391 3.269 20 30 CGEDLO C=CC[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000664253668 419867046 /nfs/dbraw/zinc/86/70/46/419867046.db2.gz QMVUBNZISJVHRW-HNNXBMFYSA-N 1 2 286.423 3.259 20 30 CGEDLO C=CC[C@H]1CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000664253668 419867053 /nfs/dbraw/zinc/86/70/53/419867053.db2.gz QMVUBNZISJVHRW-HNNXBMFYSA-N 1 2 286.423 3.259 20 30 CGEDLO C=CC[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000664252690 419867924 /nfs/dbraw/zinc/86/79/24/419867924.db2.gz BIIFHFXQYIQYAC-CYBMUJFWSA-N 1 2 253.349 3.422 20 30 CGEDLO C=C(C)CN(C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000180376260 260099294 /nfs/dbraw/zinc/09/92/94/260099294.db2.gz XTCAJRWFSNNHFW-UHFFFAOYSA-N 1 2 289.423 3.121 20 30 CGEDLO C=C(C)CN(C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000180376260 260099295 /nfs/dbraw/zinc/09/92/95/260099295.db2.gz XTCAJRWFSNNHFW-UHFFFAOYSA-N 1 2 289.423 3.121 20 30 CGEDLO FC(F)(F)CO[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000518278697 260367723 /nfs/dbraw/zinc/36/77/23/260367723.db2.gz QKALDUYEIRZGHT-OAHLLOKOSA-N 1 2 297.320 3.081 20 30 CGEDLO FC(F)(F)CO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000518278697 260367725 /nfs/dbraw/zinc/36/77/25/260367725.db2.gz QKALDUYEIRZGHT-OAHLLOKOSA-N 1 2 297.320 3.081 20 30 CGEDLO CN(CC[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000085851482 260380358 /nfs/dbraw/zinc/38/03/58/260380358.db2.gz YQBFPNBNCSJTKJ-UHFFFAOYSA-N 1 2 283.375 3.132 20 30 CGEDLO CN(CC[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000085851482 260380360 /nfs/dbraw/zinc/38/03/60/260380360.db2.gz YQBFPNBNCSJTKJ-UHFFFAOYSA-N 1 2 283.375 3.132 20 30 CGEDLO C=CCC1(C(=O)Nc2cccc3[nH+]ccn32)CCCC1 ZINC000410531371 260534762 /nfs/dbraw/zinc/53/47/62/260534762.db2.gz RCEGXHOQIKLMMW-UHFFFAOYSA-N 1 2 269.348 3.409 20 30 CGEDLO CCC(CC)C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448273735 261079978 /nfs/dbraw/zinc/07/99/78/261079978.db2.gz SSNKIAPHMSFGEE-JKSUJKDBSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC(CC)C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448273735 261079980 /nfs/dbraw/zinc/07/99/80/261079980.db2.gz SSNKIAPHMSFGEE-JKSUJKDBSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)(C#N)CCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000158120253 261159136 /nfs/dbraw/zinc/15/91/36/261159136.db2.gz HJCGQPVCMAGXTK-UHFFFAOYSA-N 1 2 279.771 3.307 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1ccc(F)cc1 ZINC000491179653 261362090 /nfs/dbraw/zinc/36/20/90/261362090.db2.gz GWCFZBCPNPARSY-QGZVFWFLSA-N 1 2 287.309 3.438 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000184090541 262008522 /nfs/dbraw/zinc/00/85/22/262008522.db2.gz QGSACHLTRGUHNL-NSHDSACASA-N 1 2 276.771 3.009 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000185868019 262310395 /nfs/dbraw/zinc/31/03/95/262310395.db2.gz LILCAPMFPCTXPT-ZIAGYGMSSA-N 1 2 270.380 3.176 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c(C)c1 ZINC000272595254 263007442 /nfs/dbraw/zinc/00/74/42/263007442.db2.gz PZHICFFOHYYPFI-OAHLLOKOSA-N 1 2 299.418 3.256 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000274308676 263022997 /nfs/dbraw/zinc/02/29/97/263022997.db2.gz LVKJWCWYYYLSML-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO Cc1cc(NCC2CCC(C#N)CC2)nc(C2CC2)[nH+]1 ZINC000281566725 263070369 /nfs/dbraw/zinc/07/03/69/263070369.db2.gz DNNIPXOBNUVOHM-UHFFFAOYSA-N 1 2 270.380 3.404 20 30 CGEDLO C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C)(C#N)CC1 ZINC000284124221 263086008 /nfs/dbraw/zinc/08/60/08/263086008.db2.gz NUYKRCXYHUQPJH-CYBMUJFWSA-N 1 2 296.374 3.423 20 30 CGEDLO CCOCC(C)(C)C/[NH+]=C/c1cccc(OCC)c1O ZINC000289835563 263112352 /nfs/dbraw/zinc/11/23/52/263112352.db2.gz DHKUXNRRKCAGBZ-LICLKQGHSA-N 1 2 279.380 3.273 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000294968070 263170259 /nfs/dbraw/zinc/17/02/59/263170259.db2.gz LMQNHXJKDQTFKL-UHFFFAOYSA-N 1 2 256.349 3.015 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000294968070 263170260 /nfs/dbraw/zinc/17/02/60/263170260.db2.gz LMQNHXJKDQTFKL-UHFFFAOYSA-N 1 2 256.349 3.015 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(F)cncc1F ZINC000353209618 263180593 /nfs/dbraw/zinc/18/05/93/263180593.db2.gz ZPNDGNJRVXVWQG-LLVKDONJSA-N 1 2 290.288 3.201 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000299206533 263235149 /nfs/dbraw/zinc/23/51/49/263235149.db2.gz GHVUIMZCZPAOES-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000299206533 263235150 /nfs/dbraw/zinc/23/51/50/263235150.db2.gz GHVUIMZCZPAOES-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCc1c(F)cccc1Cl ZINC000299323388 263238768 /nfs/dbraw/zinc/23/87/68/263238768.db2.gz IQLDIWJKQVGSKD-SNVBAGLBSA-N 1 2 254.736 3.113 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000299323388 263238771 /nfs/dbraw/zinc/23/87/71/263238771.db2.gz IQLDIWJKQVGSKD-SNVBAGLBSA-N 1 2 254.736 3.113 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000342001047 263375318 /nfs/dbraw/zinc/37/53/18/263375318.db2.gz YXRMLIIDWJLMLP-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(COC)s1)Cc1ccccc1 ZINC000342667731 263470211 /nfs/dbraw/zinc/47/02/11/263470211.db2.gz CCYYTYYFXMXPDW-UHFFFAOYSA-N 1 2 288.416 3.478 20 30 CGEDLO C=CC[N@H+](Cc1ncc(COC)s1)Cc1ccccc1 ZINC000342667731 263470212 /nfs/dbraw/zinc/47/02/12/263470212.db2.gz CCYYTYYFXMXPDW-UHFFFAOYSA-N 1 2 288.416 3.478 20 30 CGEDLO CSCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331242364 264177265 /nfs/dbraw/zinc/17/72/65/264177265.db2.gz QWVPFMSXWZXINR-UHFFFAOYSA-N 1 2 267.398 3.086 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331360210 264208895 /nfs/dbraw/zinc/20/88/95/264208895.db2.gz XNWFFHSARUIBJF-JOYOIKCWSA-N 1 2 279.727 3.030 20 30 CGEDLO C=CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189491832 264302817 /nfs/dbraw/zinc/30/28/17/264302817.db2.gz BJLUNKWKEBDJMZ-FZMZJTMJSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189491832 264302818 /nfs/dbraw/zinc/30/28/18/264302818.db2.gz BJLUNKWKEBDJMZ-FZMZJTMJSA-N 1 2 251.757 3.288 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000518965292 265253118 /nfs/dbraw/zinc/25/31/18/265253118.db2.gz MSLHENAUSUCMGE-CABZTGNLSA-N 1 2 293.292 3.124 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999557 266229121 /nfs/dbraw/zinc/22/91/21/266229121.db2.gz VECIPQBVXIDLKO-NVXWUHKLSA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999557 266229123 /nfs/dbraw/zinc/22/91/23/266229123.db2.gz VECIPQBVXIDLKO-NVXWUHKLSA-N 1 2 287.407 3.002 20 30 CGEDLO Cn1c(C[NH2+]CC2(C#N)CCC2)nc2cc(Cl)ccc21 ZINC000418145971 267366321 /nfs/dbraw/zinc/36/63/21/267366321.db2.gz ZXOSRHOMHRNHPD-UHFFFAOYSA-N 1 2 288.782 3.010 20 30 CGEDLO COc1ccc(OC(F)F)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418144859 267366724 /nfs/dbraw/zinc/36/67/24/267366724.db2.gz VFXLDMYEHLZQCH-UHFFFAOYSA-N 1 2 296.317 3.080 20 30 CGEDLO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000371397034 267399489 /nfs/dbraw/zinc/39/94/89/267399489.db2.gz WUSGHQKWLQXGCG-QGZVFWFLSA-N 1 2 296.370 3.332 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000371397034 267399493 /nfs/dbraw/zinc/39/94/93/267399493.db2.gz WUSGHQKWLQXGCG-QGZVFWFLSA-N 1 2 296.370 3.332 20 30 CGEDLO COc1cc2[nH+]c(-c3ccc(C#N)cc3)[nH]c2cc1C ZINC000446146328 274099628 /nfs/dbraw/zinc/09/96/28/274099628.db2.gz KGQHKSZFYZGOKD-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000563366088 328059477 /nfs/dbraw/zinc/05/94/77/328059477.db2.gz OXAPAHKFYNXPEP-YPMHNXCESA-N 1 2 293.798 3.257 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571102379 328086663 /nfs/dbraw/zinc/08/66/63/328086663.db2.gz KSDQXJMDQBDBAK-CQSZACIVSA-N 1 2 289.423 3.183 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571102379 328086665 /nfs/dbraw/zinc/08/66/65/328086665.db2.gz KSDQXJMDQBDBAK-CQSZACIVSA-N 1 2 289.423 3.183 20 30 CGEDLO C[N@H+](Cc1ccon1)Cc1ccccc1C(C)(C)C#N ZINC000269013096 328188367 /nfs/dbraw/zinc/18/83/67/328188367.db2.gz VUPHJZYKGGINFS-UHFFFAOYSA-N 1 2 269.348 3.108 20 30 CGEDLO C[N@@H+](Cc1ccon1)Cc1ccccc1C(C)(C)C#N ZINC000269013096 328188368 /nfs/dbraw/zinc/18/83/68/328188368.db2.gz VUPHJZYKGGINFS-UHFFFAOYSA-N 1 2 269.348 3.108 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1ccc(F)c(F)c1 ZINC000292305157 328269421 /nfs/dbraw/zinc/26/94/21/328269421.db2.gz UYQBYLQVKTUVHF-NSHDSACASA-N 1 2 250.292 3.427 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1ccc(F)c(F)c1 ZINC000292305157 328269422 /nfs/dbraw/zinc/26/94/22/328269422.db2.gz UYQBYLQVKTUVHF-NSHDSACASA-N 1 2 250.292 3.427 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047847 322056928 /nfs/dbraw/zinc/05/69/28/322056928.db2.gz XMQUPVNVOJEDBI-NSHDSACASA-N 1 2 285.303 3.252 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047847 322056930 /nfs/dbraw/zinc/05/69/30/322056930.db2.gz XMQUPVNVOJEDBI-NSHDSACASA-N 1 2 285.303 3.252 20 30 CGEDLO C=C(C)CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425319852 328454540 /nfs/dbraw/zinc/45/45/40/328454540.db2.gz WOWYHGKHKMYWCJ-OAHLLOKOSA-N 1 2 283.375 3.014 20 30 CGEDLO Cc1noc([C@H](C)[N@H+](C)CCC2(C#N)CCCCC2)n1 ZINC000569469324 327182448 /nfs/dbraw/zinc/18/24/48/327182448.db2.gz UGQDNJHFAOPIRS-LBPRGKRZSA-N 1 2 276.384 3.235 20 30 CGEDLO Cc1noc([C@H](C)[N@@H+](C)CCC2(C#N)CCCCC2)n1 ZINC000569469324 327182449 /nfs/dbraw/zinc/18/24/49/327182449.db2.gz UGQDNJHFAOPIRS-LBPRGKRZSA-N 1 2 276.384 3.235 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377663240 329023529 /nfs/dbraw/zinc/02/35/29/329023529.db2.gz UKLUNVOJAGETDB-HNNXBMFYSA-N 1 2 295.386 3.044 20 30 CGEDLO CC[C@@H](CC#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000183906578 329254187 /nfs/dbraw/zinc/25/41/87/329254187.db2.gz CYFCXMXDGJHMEB-AWEZNQCLSA-N 1 2 295.342 3.296 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185055103 329265101 /nfs/dbraw/zinc/26/51/01/329265101.db2.gz CZSVEPIPQZHXHM-HNNXBMFYSA-N 1 2 297.402 3.150 20 30 CGEDLO CN(c1ccccc1)c1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]cn1 ZINC000425272647 329654056 /nfs/dbraw/zinc/65/40/56/329654056.db2.gz LSCUWDYHMIKJOB-UONOGXRCSA-N 1 2 293.374 3.349 20 30 CGEDLO Cc1ccc2[nH+]ccc(NCC3(C#N)CCC3)c2c1 ZINC000419021794 329703879 /nfs/dbraw/zinc/70/38/79/329703879.db2.gz MRSMCAVLBGLQNW-UHFFFAOYSA-N 1 2 251.333 3.071 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000419192676 329713233 /nfs/dbraw/zinc/71/32/33/329713233.db2.gz YEUQJMAFRMHSJK-CQSZACIVSA-N 1 2 279.355 3.232 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)nn1 ZINC000424121931 330253755 /nfs/dbraw/zinc/25/37/55/330253755.db2.gz GILBMJRCRGUOSH-JTQLQIEISA-N 1 2 294.761 3.107 20 30 CGEDLO C=C(CC)CN1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000536902244 330363574 /nfs/dbraw/zinc/36/35/74/330363574.db2.gz RWLXNYVKBLPAKF-UHFFFAOYSA-N 1 2 288.435 3.169 20 30 CGEDLO CCOc1ccc([C@H](COC)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450945945 331008334 /nfs/dbraw/zinc/00/83/34/331008334.db2.gz VYAWFUHHKUJXKE-INIZCTEOSA-N 1 2 288.391 3.056 20 30 CGEDLO C=C(C)CCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000459003792 331265833 /nfs/dbraw/zinc/26/58/33/331265833.db2.gz PCLGDOOTPZRQOH-OAHLLOKOSA-N 1 2 298.390 3.107 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccccc1Br ZINC000164682079 331284242 /nfs/dbraw/zinc/28/42/42/331284242.db2.gz WUWHDMUXCKYVJG-UHFFFAOYSA-N 1 2 267.170 3.088 20 30 CGEDLO CC#CC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000463234398 331343319 /nfs/dbraw/zinc/34/33/19/331343319.db2.gz UBQPENIXZXDCQA-NVXWUHKLSA-N 1 2 257.377 3.089 20 30 CGEDLO CC#CC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000463234398 331343320 /nfs/dbraw/zinc/34/33/20/331343320.db2.gz UBQPENIXZXDCQA-NVXWUHKLSA-N 1 2 257.377 3.089 20 30 CGEDLO C#CCN(CC)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000490669575 332101543 /nfs/dbraw/zinc/10/15/43/332101543.db2.gz IADPIFXUHIIHPE-UHFFFAOYSA-N 1 2 294.354 3.278 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(Cl)s1)Cc1ccccc1 ZINC000491210527 332167231 /nfs/dbraw/zinc/16/72/31/332167231.db2.gz VNSIXMGYNYMETF-UHFFFAOYSA-N 1 2 276.792 3.432 20 30 CGEDLO C#CC[N@H+](Cc1cnc(Cl)s1)Cc1ccccc1 ZINC000491210527 332167232 /nfs/dbraw/zinc/16/72/32/332167232.db2.gz VNSIXMGYNYMETF-UHFFFAOYSA-N 1 2 276.792 3.432 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(C=C)c1)c1ccc(Cl)cc1 ZINC000491695242 332291143 /nfs/dbraw/zinc/29/11/43/332291143.db2.gz XBJXYXKJZAZTCT-OAHLLOKOSA-N 1 2 271.751 3.101 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000500803101 332619332 /nfs/dbraw/zinc/61/93/32/332619332.db2.gz SGRIGPLUQINGRG-KGLIPLIRSA-N 1 2 281.783 3.498 20 30 CGEDLO C=CCCC[NH2+][C@@](CC)(C(=O)OC)c1ccccc1 ZINC000512286619 332961464 /nfs/dbraw/zinc/96/14/64/332961464.db2.gz PMYZXUWNYHOTMI-MRXNPFEDSA-N 1 2 261.365 3.021 20 30 CGEDLO C=CCCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000175088354 333014511 /nfs/dbraw/zinc/01/45/11/333014511.db2.gz GNPGAGDDCQIDMR-DHZHZOJOSA-N 1 2 298.430 3.200 20 30 CGEDLO C#CC[N@@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000192224016 333232554 /nfs/dbraw/zinc/23/25/54/333232554.db2.gz MKANNZLKNJBDKK-UHFFFAOYSA-N 1 2 278.327 3.153 20 30 CGEDLO C#CC[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000192224016 333232555 /nfs/dbraw/zinc/23/25/55/333232555.db2.gz MKANNZLKNJBDKK-UHFFFAOYSA-N 1 2 278.327 3.153 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)ccc(F)c2Cl)CCC1 ZINC000529611428 333501128 /nfs/dbraw/zinc/50/11/28/333501128.db2.gz KWQODYCMFYKFAO-UHFFFAOYSA-N 1 2 270.710 3.402 20 30 CGEDLO COC[C@@H](C#N)[NH2+][C@H](CC1CCCCC1)C(C)(C)C ZINC000544045698 333912389 /nfs/dbraw/zinc/91/23/89/333912389.db2.gz RTQQSTCHHWMBCR-HUUCEWRRSA-N 1 2 266.429 3.500 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(F)c(F)c2)c1 ZINC000546633871 334042351 /nfs/dbraw/zinc/04/23/51/334042351.db2.gz LWENMHVDHAVXNH-UHFFFAOYSA-N 1 2 259.259 3.038 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccc1Cl ZINC000577073648 335295666 /nfs/dbraw/zinc/29/56/66/335295666.db2.gz QMHQFPHXCHJIAY-NSHDSACASA-N 1 2 252.745 3.130 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000179794504 335519334 /nfs/dbraw/zinc/51/93/34/335519334.db2.gz IEDCLNSAHLWOFR-CQSZACIVSA-N 1 2 283.375 3.347 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@](C)(CCC)C(=O)OC)c1 ZINC000184044888 335916144 /nfs/dbraw/zinc/91/61/44/335916144.db2.gz VFEKZUAGNOXEFV-QGZVFWFLSA-N 1 2 291.391 3.073 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)ccc1C#N ZINC000369116693 533804736 /nfs/dbraw/zinc/80/47/36/533804736.db2.gz NVFKNCWFXGCPAE-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)ccc1C#N ZINC000369116693 533804744 /nfs/dbraw/zinc/80/47/44/533804744.db2.gz NVFKNCWFXGCPAE-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000425286492 534081663 /nfs/dbraw/zinc/08/16/63/534081663.db2.gz UKIKVKQCBQVEFB-LBPRGKRZSA-N 1 2 278.359 3.423 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CO[C@@H](C)C1 ZINC000330066907 534218944 /nfs/dbraw/zinc/21/89/44/534218944.db2.gz TZZSEWYHTGJTJH-WCQYABFASA-N 1 2 285.347 3.398 20 30 CGEDLO Cc1cn2cc(NC(=O)N[C@H]3CCCC3(C)C)ccc2[nH+]1 ZINC000330245958 534515364 /nfs/dbraw/zinc/51/53/64/534515364.db2.gz KZVIJSIPVKIPQS-ZDUSSCGKSA-N 1 2 286.379 3.357 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426523327 534829510 /nfs/dbraw/zinc/82/95/10/534829510.db2.gz LYYJWAGKLJIBBS-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426523327 534829513 /nfs/dbraw/zinc/82/95/13/534829513.db2.gz LYYJWAGKLJIBBS-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO CCN(CC)c1ccc(Nc2ncc(C#N)cc2F)c[nH+]1 ZINC000413060194 528313566 /nfs/dbraw/zinc/31/35/66/528313566.db2.gz MVTPMUPHZSJHSF-UHFFFAOYSA-N 1 2 285.326 3.077 20 30 CGEDLO CCC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439460617 528402022 /nfs/dbraw/zinc/40/20/22/528402022.db2.gz XUPBQZDPESQVAH-AWEZNQCLSA-N 1 2 278.783 3.213 20 30 CGEDLO CCC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439460617 528402026 /nfs/dbraw/zinc/40/20/26/528402026.db2.gz XUPBQZDPESQVAH-AWEZNQCLSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCNc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425257721 528562703 /nfs/dbraw/zinc/56/27/03/528562703.db2.gz JGXMHHIWBKEPJK-UHFFFAOYSA-N 1 2 280.375 3.118 20 30 CGEDLO CCCCc1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425542983 529054726 /nfs/dbraw/zinc/05/47/26/529054726.db2.gz RHCIGVAUPBEWQL-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCCc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425542983 529054730 /nfs/dbraw/zinc/05/47/30/529054730.db2.gz RHCIGVAUPBEWQL-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO O=[N+]([O-])c1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730146204 571950404 /nfs/dbraw/zinc/95/04/04/571950404.db2.gz KEZJTODQPYMMER-UHFFFAOYSA-N 1 2 292.298 3.011 20 30 CGEDLO C=C(Cl)COc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731158484 572398862 /nfs/dbraw/zinc/39/88/62/572398862.db2.gz AXWUZSKOYRQYHV-VOTSOKGWSA-N 1 2 288.734 3.437 20 30 CGEDLO Clc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000743450031 572398861 /nfs/dbraw/zinc/39/88/61/572398861.db2.gz DYWGMEKQKFMRAV-UHFFFAOYSA-N 1 2 297.749 3.367 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000740764843 572456301 /nfs/dbraw/zinc/45/63/01/572456301.db2.gz IAZGDNUIUAAEDA-UVTDQMKNSA-N 1 2 274.323 3.465 20 30 CGEDLO Cc1cccc2c1C/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000740765559 572456388 /nfs/dbraw/zinc/45/63/88/572456388.db2.gz GTZDFSLYQRWSML-LCYFTJDESA-N 1 2 274.323 3.465 20 30 CGEDLO Cc1cccc2c1OC/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000740765376 572456797 /nfs/dbraw/zinc/45/67/97/572456797.db2.gz YDEOLLLMBAQDJF-LCYFTJDESA-N 1 2 290.322 3.301 20 30 CGEDLO CCCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000740878600 572466071 /nfs/dbraw/zinc/46/60/71/572466071.db2.gz OGUHAXBQHKSZDA-NSHDSACASA-N 1 2 253.308 3.220 20 30 CGEDLO CCCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000740878600 572466075 /nfs/dbraw/zinc/46/60/75/572466075.db2.gz OGUHAXBQHKSZDA-NSHDSACASA-N 1 2 253.308 3.220 20 30 CGEDLO C=C(Cl)C[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733614010 572591720 /nfs/dbraw/zinc/59/17/20/572591720.db2.gz UNACVIVNYPPXIV-RYUDHWBXSA-N 1 2 288.819 3.069 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CC(C1CC1)C1CC1 ZINC000743043796 572635968 /nfs/dbraw/zinc/63/59/68/572635968.db2.gz ADCXLUYFYRHZEJ-YVLHZVERSA-N 1 2 259.349 3.256 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC2(CC)CCOCC2)c1O ZINC000745977262 572846091 /nfs/dbraw/zinc/84/60/91/572846091.db2.gz TXTRJHLRNDFKEF-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO CC[C@H](/[NH+]=C\c1cc(OC)ccc1O)C1CCOCC1 ZINC000746393906 572869539 /nfs/dbraw/zinc/86/95/39/572869539.db2.gz MFNVVEJAEURZBW-ZCQLHAAUSA-N 1 2 277.364 3.025 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C(C)C ZINC000747524696 572934116 /nfs/dbraw/zinc/93/41/16/572934116.db2.gz NQDXPXFPMBSWBT-LLVKDONJSA-N 1 2 254.399 3.247 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@@H](C)OC)n1)C(C)C ZINC000747524696 572934119 /nfs/dbraw/zinc/93/41/19/572934119.db2.gz NQDXPXFPMBSWBT-LLVKDONJSA-N 1 2 254.399 3.247 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2COc3ccccc3C2)c1O ZINC000747713324 572942594 /nfs/dbraw/zinc/94/25/94/572942594.db2.gz SDRQOPALLVVQKP-LPXFMOJISA-N 1 2 297.354 3.071 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000749117968 572989488 /nfs/dbraw/zinc/98/94/88/572989488.db2.gz URFNZHUGLYBIAZ-NSHDSACASA-N 1 2 263.212 3.442 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CC1(Cl)Cl ZINC000749117968 572989489 /nfs/dbraw/zinc/98/94/89/572989489.db2.gz URFNZHUGLYBIAZ-NSHDSACASA-N 1 2 263.212 3.442 20 30 CGEDLO C=C(C)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750499288 573141636 /nfs/dbraw/zinc/14/16/36/573141636.db2.gz SCNANXVBBFNRPW-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750499288 573141641 /nfs/dbraw/zinc/14/16/41/573141641.db2.gz SCNANXVBBFNRPW-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccnn1CC1CCC1 ZINC000899414734 620697208 /nfs/dbraw/zinc/69/72/08/620697208.db2.gz XXUAIARDECYSML-VOTSOKGWSA-N 1 2 298.390 3.357 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC000957071236 613295149 /nfs/dbraw/zinc/29/51/49/613295149.db2.gz PFNIUTMWDVQHAN-RDJZCZTQSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC000957068164 613295535 /nfs/dbraw/zinc/29/55/35/613295535.db2.gz PURDWLGZHAGUND-SJLPKXTDSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2sccc2C(C)C)CC1 ZINC000957752962 613322265 /nfs/dbraw/zinc/32/22/65/613322265.db2.gz VUWCJOYVPRTFQY-UHFFFAOYSA-N 1 2 292.448 3.205 20 30 CGEDLO C=CC[C@@H]1CCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000890553280 617639134 /nfs/dbraw/zinc/63/91/34/617639134.db2.gz SHNCAJUHIYTQNX-HZPDHXFCSA-N 1 2 295.386 3.109 20 30 CGEDLO NC(=[NH+]OCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000050510685 618110438 /nfs/dbraw/zinc/11/04/38/618110438.db2.gz FEYLHWVZCRHYPK-UHFFFAOYSA-N 1 2 293.326 3.179 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000255333343 618208578 /nfs/dbraw/zinc/20/85/78/618208578.db2.gz NBFNPUPNENLXGW-HJWRWDBZSA-N 1 2 293.282 3.139 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)C(C)C)c2c(n1)CCCC2 ZINC000891695732 618248388 /nfs/dbraw/zinc/24/83/88/618248388.db2.gz AVZXNFVTAXHTBP-UHFFFAOYSA-N 1 2 271.408 3.393 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)C(C)C)c2c(n1)CCCC2 ZINC000891695732 618248399 /nfs/dbraw/zinc/24/83/99/618248399.db2.gz AVZXNFVTAXHTBP-UHFFFAOYSA-N 1 2 271.408 3.393 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933773313 618326923 /nfs/dbraw/zinc/32/69/23/618326923.db2.gz JPHPEEJNEWSUNN-UHFFFAOYSA-N 1 2 297.383 3.132 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933773313 618326933 /nfs/dbraw/zinc/32/69/33/618326933.db2.gz JPHPEEJNEWSUNN-UHFFFAOYSA-N 1 2 297.383 3.132 20 30 CGEDLO CC[N@@H+](Cc1cccc(Br)c1O)C[C@@H](C)C#N ZINC000091983493 618539072 /nfs/dbraw/zinc/53/90/72/618539072.db2.gz GABIZYUVITZAEQ-JTQLQIEISA-N 1 2 297.196 3.136 20 30 CGEDLO CC[N@H+](Cc1cccc(Br)c1O)C[C@@H](C)C#N ZINC000091983493 618539075 /nfs/dbraw/zinc/53/90/75/618539075.db2.gz GABIZYUVITZAEQ-JTQLQIEISA-N 1 2 297.196 3.136 20 30 CGEDLO COCC[N@@H+](Cc1csc(C#N)c1)Cc1ccc(C)o1 ZINC000892125174 618544806 /nfs/dbraw/zinc/54/48/06/618544806.db2.gz MLVOXIUWNAZIER-UHFFFAOYSA-N 1 2 290.388 3.170 20 30 CGEDLO COCC[N@H+](Cc1csc(C#N)c1)Cc1ccc(C)o1 ZINC000892125174 618544812 /nfs/dbraw/zinc/54/48/12/618544812.db2.gz MLVOXIUWNAZIER-UHFFFAOYSA-N 1 2 290.388 3.170 20 30 CGEDLO N#C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151282 619304142 /nfs/dbraw/zinc/30/41/42/619304142.db2.gz XGMNDSLUOSKERJ-HZPDHXFCSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151282 619304145 /nfs/dbraw/zinc/30/41/45/619304145.db2.gz XGMNDSLUOSKERJ-HZPDHXFCSA-N 1 2 276.424 3.494 20 30 CGEDLO CCn1cc(C[N@H+](C)C[C@H](C)C#N)c(-c2ccccc2)n1 ZINC000893994513 619345004 /nfs/dbraw/zinc/34/50/04/619345004.db2.gz GTHYHMJWKZQOLJ-CQSZACIVSA-N 1 2 282.391 3.161 20 30 CGEDLO CCn1cc(C[N@@H+](C)C[C@H](C)C#N)c(-c2ccccc2)n1 ZINC000893994513 619345006 /nfs/dbraw/zinc/34/50/06/619345006.db2.gz GTHYHMJWKZQOLJ-CQSZACIVSA-N 1 2 282.391 3.161 20 30 CGEDLO CCc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc(CC)[nH+]1 ZINC000894045051 619358388 /nfs/dbraw/zinc/35/83/88/619358388.db2.gz ZJIYVGDHLCYWIJ-AAEUAGOBSA-N 1 2 258.369 3.096 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1C1CC1 ZINC000895018428 619696896 /nfs/dbraw/zinc/69/68/96/619696896.db2.gz PMUSHFFZNZNUIC-CYBMUJFWSA-N 1 2 280.375 3.283 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1C1CC1 ZINC000895018428 619696900 /nfs/dbraw/zinc/69/69/00/619696900.db2.gz PMUSHFFZNZNUIC-CYBMUJFWSA-N 1 2 280.375 3.283 20 30 CGEDLO Cc1ccoc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000151456026 619747082 /nfs/dbraw/zinc/74/70/82/619747082.db2.gz GSMYRJNGJJWCSA-SNAWJCMRSA-N 1 2 266.300 3.440 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000895451574 619831812 /nfs/dbraw/zinc/83/18/12/619831812.db2.gz ZALRHZJAMRDWFI-KRWDZBQOSA-N 1 2 269.392 3.004 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000895451574 619831814 /nfs/dbraw/zinc/83/18/14/619831814.db2.gz ZALRHZJAMRDWFI-KRWDZBQOSA-N 1 2 269.392 3.004 20 30 CGEDLO CO[C@@H]1COCC[C@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000840706865 620086118 /nfs/dbraw/zinc/08/61/18/620086118.db2.gz LTGBGOQYFIGLAP-YBPPGXJBSA-N 1 2 299.370 3.016 20 30 CGEDLO Cc1coc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000897596238 620406253 /nfs/dbraw/zinc/40/62/53/620406253.db2.gz OEPARJQEJVHXCM-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1coc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000897596238 620406256 /nfs/dbraw/zinc/40/62/56/620406256.db2.gz OEPARJQEJVHXCM-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO CC[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc(C#N)c1O ZINC000927014587 620560865 /nfs/dbraw/zinc/56/08/65/620560865.db2.gz PAJKMCWIUXYCOU-DOTOQJQBSA-N 1 2 288.391 3.264 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCC1 ZINC000903032243 621535079 /nfs/dbraw/zinc/53/50/79/621535079.db2.gz HEPLENDVGNBARY-CYBMUJFWSA-N 1 2 262.303 3.236 20 30 CGEDLO COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903101569 621574639 /nfs/dbraw/zinc/57/46/39/621574639.db2.gz JAVZRVDWBXMMIE-JTQLQIEISA-N 1 2 264.756 3.303 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000903100751 621575106 /nfs/dbraw/zinc/57/51/06/621575106.db2.gz WWWBYAIMBBSYOL-GFCCVEGCSA-N 1 2 250.292 3.091 20 30 CGEDLO CCc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108875 621583157 /nfs/dbraw/zinc/58/31/57/621583157.db2.gz ILAJUWDYHKSYTP-NSHDSACASA-N 1 2 261.369 3.280 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CCCC1 ZINC000903109828 621583425 /nfs/dbraw/zinc/58/34/25/621583425.db2.gz WMAYVTVEKGCTCS-GFCCVEGCSA-N 1 2 275.783 3.396 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(C#N)c1O ZINC000903413475 621734344 /nfs/dbraw/zinc/73/43/44/621734344.db2.gz MZGLHPDXVVETHJ-TYNCELHUSA-N 1 2 256.349 3.269 20 30 CGEDLO Cc1cc(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)cc(C)[nH+]1 ZINC000911167650 622523438 /nfs/dbraw/zinc/52/34/38/622523438.db2.gz JCUCUUWIAIDPAB-JFUPDXTOSA-N 1 2 297.402 3.035 20 30 CGEDLO C#CCOc1ccccc1CNc1ccc([NH+](C)C)cc1 ZINC000057611122 622879409 /nfs/dbraw/zinc/87/94/09/622879409.db2.gz APPDKSIRSVVEHF-UHFFFAOYSA-N 1 2 280.371 3.377 20 30 CGEDLO COc1cccc(/C=[NH+]/CCCOC2CCCC2)c1O ZINC000057752472 622883505 /nfs/dbraw/zinc/88/35/05/622883505.db2.gz BNZYSGHYKINDSN-SFQUDFHCSA-N 1 2 277.364 3.169 20 30 CGEDLO CCN(CC)c1ccc(C=[NH+]OCC(F)(F)F)c(O)c1 ZINC000764835640 623951779 /nfs/dbraw/zinc/95/17/79/623951779.db2.gz NDACSSCSANFABH-UHFFFAOYSA-N 1 2 290.285 3.151 20 30 CGEDLO C(=[NH+]NCc1ccccc1)c1ccc(N2CCCCC2)o1 ZINC000917574543 624290467 /nfs/dbraw/zinc/29/04/67/624290467.db2.gz NKWJMSRCSDOMQS-UHFFFAOYSA-N 1 2 283.375 3.394 20 30 CGEDLO COCCC1(C/[NH+]=C/c2cc(OC)ccc2O)CCCC1 ZINC000155032869 624414372 /nfs/dbraw/zinc/41/43/72/624414372.db2.gz NBUXSAKGDJQACK-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO CC1CCC(C/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000920175321 624454110 /nfs/dbraw/zinc/45/41/10/624454110.db2.gz VHSIJLUORNOSOG-CXUHLZMHSA-N 1 2 263.337 3.049 20 30 CGEDLO C=C(C)C[N@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000182618006 625020461 /nfs/dbraw/zinc/02/04/61/625020461.db2.gz KEFYGTBHUJZZAP-UHFFFAOYSA-N 1 2 266.344 3.265 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000182618006 625020466 /nfs/dbraw/zinc/02/04/66/625020466.db2.gz KEFYGTBHUJZZAP-UHFFFAOYSA-N 1 2 266.344 3.265 20 30 CGEDLO CC(C)(CC#N)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835303614 634440680 /nfs/dbraw/zinc/44/06/80/634440680.db2.gz KUFDAQPCXJDPEV-UHFFFAOYSA-N 1 2 297.358 3.028 20 30 CGEDLO CCc1nc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cs1 ZINC000921726415 625855796 /nfs/dbraw/zinc/85/57/96/625855796.db2.gz SQGMTAQWDVRTPD-SECBINFHSA-N 1 2 277.418 3.489 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000124698134 634487258 /nfs/dbraw/zinc/48/72/58/634487258.db2.gz DDNJSRGDYLQWSK-UHFFFAOYSA-N 1 2 272.735 3.207 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751925764 626411694 /nfs/dbraw/zinc/41/16/94/626411694.db2.gz QIERRUPMNDNIBX-VXGBXAGGSA-N 1 2 292.452 3.023 20 30 CGEDLO C(#Cc1ccccc1)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000754349851 626568562 /nfs/dbraw/zinc/56/85/62/626568562.db2.gz ONKSLTALFKQGPY-UHFFFAOYSA-N 1 2 288.350 3.483 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2(CCOC)CCC2)c(O)c1 ZINC000760210363 626944574 /nfs/dbraw/zinc/94/45/74/626944574.db2.gz HLADZUSSLPFPAT-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO COc1ccc[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000763507766 627161951 /nfs/dbraw/zinc/16/19/51/627161951.db2.gz VRIFZEYRJYBGCO-UHFFFAOYSA-N 1 2 296.374 3.052 20 30 CGEDLO COc1cccc2cc(C[N@H+](C)C[C@H](C)C#N)oc21 ZINC000768875981 627505237 /nfs/dbraw/zinc/50/52/37/627505237.db2.gz BFFVNAAVAOAMSR-LLVKDONJSA-N 1 2 258.321 3.033 20 30 CGEDLO COc1cccc2cc(C[N@@H+](C)C[C@H](C)C#N)oc21 ZINC000768875981 627505239 /nfs/dbraw/zinc/50/52/39/627505239.db2.gz BFFVNAAVAOAMSR-LLVKDONJSA-N 1 2 258.321 3.033 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)cnc1Cl ZINC000769335083 627542991 /nfs/dbraw/zinc/54/29/91/627542991.db2.gz SVWMSZWHPPEEAI-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cnc1Cl ZINC000769335083 627542994 /nfs/dbraw/zinc/54/29/94/627542994.db2.gz SVWMSZWHPPEEAI-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cncc2ccccc21)C1CC1 ZINC000769542801 627564602 /nfs/dbraw/zinc/56/46/02/627564602.db2.gz BWPFPYVRVDMRSQ-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cncc2ccccc21)C1CC1 ZINC000769542801 627564606 /nfs/dbraw/zinc/56/46/06/627564606.db2.gz BWPFPYVRVDMRSQ-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000769962074 627592879 /nfs/dbraw/zinc/59/28/79/627592879.db2.gz AVRHXBMKRBKTCW-LLVKDONJSA-N 1 2 258.752 3.342 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccccc2nc1Cl ZINC000769962074 627592884 /nfs/dbraw/zinc/59/28/84/627592884.db2.gz AVRHXBMKRBKTCW-LLVKDONJSA-N 1 2 258.752 3.342 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)o1 ZINC000770391802 627617061 /nfs/dbraw/zinc/61/70/61/627617061.db2.gz QANSBWGFZBLEQL-GOSISDBHSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)o1 ZINC000770391802 627617064 /nfs/dbraw/zinc/61/70/64/627617064.db2.gz QANSBWGFZBLEQL-GOSISDBHSA-N 1 2 296.370 3.342 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnccc1C ZINC000771559664 627719245 /nfs/dbraw/zinc/71/92/45/627719245.db2.gz KNBKRDZVBJCNOA-UHFFFAOYSA-N 1 2 276.343 3.196 20 30 CGEDLO C=CCC[C@H](C)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000772777545 627820932 /nfs/dbraw/zinc/82/09/32/627820932.db2.gz IRYCEEDWUXUXNI-GJZGRUSLSA-N 1 2 287.403 3.331 20 30 CGEDLO C=CCC[C@H](C)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000772777545 627820934 /nfs/dbraw/zinc/82/09/34/627820934.db2.gz IRYCEEDWUXUXNI-GJZGRUSLSA-N 1 2 287.403 3.331 20 30 CGEDLO CCOCCO[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774435257 627989385 /nfs/dbraw/zinc/98/93/85/627989385.db2.gz OKFSMYOPEBPPMZ-UHFFFAOYSA-N 1 2 291.178 3.353 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000775399044 628090634 /nfs/dbraw/zinc/09/06/34/628090634.db2.gz FHTXDPSXULEKMT-HNNXBMFYSA-N 1 2 293.326 3.184 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(Cl)c1O ZINC000775643090 628118151 /nfs/dbraw/zinc/11/81/51/628118151.db2.gz LPXBPZZKHMFQLV-UHFFFAOYSA-N 1 2 266.772 3.417 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(Cl)c1O ZINC000775643090 628118154 /nfs/dbraw/zinc/11/81/54/628118154.db2.gz LPXBPZZKHMFQLV-UHFFFAOYSA-N 1 2 266.772 3.417 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642476 628118242 /nfs/dbraw/zinc/11/82/42/628118242.db2.gz VVMHANZALLRJJK-BMIGLBTASA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642476 628118247 /nfs/dbraw/zinc/11/82/47/628118247.db2.gz VVMHANZALLRJJK-BMIGLBTASA-N 1 2 296.773 3.137 20 30 CGEDLO N#CC1(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000776008932 628157590 /nfs/dbraw/zinc/15/75/90/628157590.db2.gz SWFWSWUHOQSQCZ-UHFFFAOYSA-N 1 2 273.767 3.128 20 30 CGEDLO N#CC1(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000776008932 628157592 /nfs/dbraw/zinc/15/75/92/628157592.db2.gz SWFWSWUHOQSQCZ-UHFFFAOYSA-N 1 2 273.767 3.128 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cscn1 ZINC000776193229 628179698 /nfs/dbraw/zinc/17/96/98/628179698.db2.gz PSICKRYWIXMLIZ-IHWYPQMZSA-N 1 2 289.747 3.340 20 30 CGEDLO CC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)[NH+](CC)CC ZINC000778611229 628360958 /nfs/dbraw/zinc/36/09/58/628360958.db2.gz COAOYDMKHLSEAG-GXTWGEPZSA-N 1 2 299.374 3.124 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000781908306 628604032 /nfs/dbraw/zinc/60/40/32/628604032.db2.gz JHXPSIMXISGODW-SNVBAGLBSA-N 1 2 297.196 3.197 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000781908306 628604035 /nfs/dbraw/zinc/60/40/35/628604035.db2.gz JHXPSIMXISGODW-SNVBAGLBSA-N 1 2 297.196 3.197 20 30 CGEDLO CN(C)c1cc(COc2ccc(C#N)cc2Cl)cc[nH+]1 ZINC000782113394 628616720 /nfs/dbraw/zinc/61/67/20/628616720.db2.gz ZRSDQEOLQGCPIA-UHFFFAOYSA-N 1 2 287.750 3.252 20 30 CGEDLO C=CCCCCCO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000783028616 628673588 /nfs/dbraw/zinc/67/35/88/628673588.db2.gz OBFACKUDELEMQK-UHFFFAOYSA-N 1 2 292.379 3.297 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(Br)s1)C(C)C ZINC000783415052 628709444 /nfs/dbraw/zinc/70/94/44/628709444.db2.gz NDLVHEBIAVKWED-UHFFFAOYSA-N 1 2 275.215 3.302 20 30 CGEDLO C=CC[N@H+](Cc1ncc(Br)s1)C(C)C ZINC000783415052 628709443 /nfs/dbraw/zinc/70/94/43/628709443.db2.gz NDLVHEBIAVKWED-UHFFFAOYSA-N 1 2 275.215 3.302 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1csc2ccccc12 ZINC000790301539 629201741 /nfs/dbraw/zinc/20/17/41/629201741.db2.gz GCDPOTNYYTZGMT-UHFFFAOYSA-N 1 2 256.334 3.081 20 30 CGEDLO CC#CCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791446232 629279042 /nfs/dbraw/zinc/27/90/42/629279042.db2.gz KVQJPKAEGUYHQX-UHFFFAOYSA-N 1 2 296.370 3.418 20 30 CGEDLO CCCCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791736609 629297970 /nfs/dbraw/zinc/29/79/70/629297970.db2.gz PIHVELPMRRIDNI-UHFFFAOYSA-N 1 2 250.342 3.068 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000793254616 629435995 /nfs/dbraw/zinc/43/59/95/629435995.db2.gz LQXLHVMDDUBBMK-JTQLQIEISA-N 1 2 268.307 3.111 20 30 CGEDLO CCC(CCc1ccccc1)=NNCCCn1cc[nH+]c1 ZINC000863127314 629481544 /nfs/dbraw/zinc/48/15/44/629481544.db2.gz YEFULRXZKJUZKT-UHFFFAOYSA-N 1 2 284.407 3.262 20 30 CGEDLO CSCCON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000794572829 629557229 /nfs/dbraw/zinc/55/72/29/629557229.db2.gz ZDAZGJPDPKQZHO-UHFFFAOYSA-N 1 2 277.393 3.171 20 30 CGEDLO CN1CCCc2cc([NH2+][C@@H]3CC[C@@H](C#N)C3)ccc21 ZINC000799725163 630225667 /nfs/dbraw/zinc/22/56/67/630225667.db2.gz VCTPHIIKQLEWAF-TZMCWYRMSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@@H+]1CCCc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc21 ZINC000799725163 630225669 /nfs/dbraw/zinc/22/56/69/630225669.db2.gz VCTPHIIKQLEWAF-TZMCWYRMSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@H+]1CCCc2cc(N[C@@H]3CC[C@@H](C#N)C3)ccc21 ZINC000799725163 630225670 /nfs/dbraw/zinc/22/56/70/630225670.db2.gz VCTPHIIKQLEWAF-TZMCWYRMSA-N 1 2 255.365 3.173 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)oc1C ZINC000799895707 630240657 /nfs/dbraw/zinc/24/06/57/630240657.db2.gz CWGVTLCOVCOEIR-SREVYHEPSA-N 1 2 266.300 3.440 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)c(F)c(F)c1 ZINC000810143070 630846006 /nfs/dbraw/zinc/84/60/06/630846006.db2.gz AUMFTIBQMIYNLP-SSDOTTSWSA-N 1 2 297.305 3.283 20 30 CGEDLO CC(C)C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccn1 ZINC000810148604 630847130 /nfs/dbraw/zinc/84/71/30/630847130.db2.gz KDSZEMPXZIEYOC-AWEZNQCLSA-N 1 2 286.404 3.287 20 30 CGEDLO C#CCON=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000812236781 631227414 /nfs/dbraw/zinc/22/74/14/631227414.db2.gz YKLFBNXQTPHSBA-UHFFFAOYSA-N 1 2 294.757 3.081 20 30 CGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848675 631325583 /nfs/dbraw/zinc/32/55/83/631325583.db2.gz KYKZPWSIANHHFE-OCCSQVGLSA-N 1 2 298.224 3.339 20 30 CGEDLO C=C(Br)C[N@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848675 631325585 /nfs/dbraw/zinc/32/55/85/631325585.db2.gz KYKZPWSIANHHFE-OCCSQVGLSA-N 1 2 298.224 3.339 20 30 CGEDLO C#Cc1ccccc1CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000812857951 631327465 /nfs/dbraw/zinc/32/74/65/631327465.db2.gz VTEIDONRCFEQNN-UHFFFAOYSA-N 1 2 278.355 3.169 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000814113978 631531172 /nfs/dbraw/zinc/53/11/72/631531172.db2.gz TVLOROBBSUTHPX-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1cc(F)c(N)c(F)c1 ZINC000814803400 631642750 /nfs/dbraw/zinc/64/27/50/631642750.db2.gz QOTJHYICRYCJDR-UHFFFAOYSA-N 1 2 286.285 3.255 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000815644696 631811994 /nfs/dbraw/zinc/81/19/94/631811994.db2.gz KBPXAZLRATYKGO-LLVKDONJSA-N 1 2 253.292 3.004 20 30 CGEDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)CC(C)(C)C#N ZINC000816632527 632028540 /nfs/dbraw/zinc/02/85/40/632028540.db2.gz MPHPENJOMXTSIT-UHFFFAOYSA-N 1 2 270.735 3.166 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC(C)(C)C#N ZINC000816632527 632028552 /nfs/dbraw/zinc/02/85/52/632028552.db2.gz MPHPENJOMXTSIT-UHFFFAOYSA-N 1 2 270.735 3.166 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3cncc(C#N)n3)cc2)CC1 ZINC000817120323 632084835 /nfs/dbraw/zinc/08/48/35/632084835.db2.gz LACWFPVDGCTEHQ-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CC23CCSCC3)c1O ZINC000817707382 632202048 /nfs/dbraw/zinc/20/20/48/632202048.db2.gz JJHAJOQTEPOJLQ-NWRYFCBHSA-N 1 2 291.416 3.353 20 30 CGEDLO NC(=[NH+]OCC[C@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000818075416 632283852 /nfs/dbraw/zinc/28/38/52/632283852.db2.gz UBUWZGFVJWBXTP-VIFPVBQESA-N 1 2 291.153 3.047 20 30 CGEDLO Nc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)c[nH+]1 ZINC000821027800 632714205 /nfs/dbraw/zinc/71/42/05/632714205.db2.gz LVVIMGSRKZBSTQ-LREOWRDNSA-N 1 2 290.269 3.161 20 30 CGEDLO CC(C)(C)[C@H](C#N)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821627807 632807288 /nfs/dbraw/zinc/80/72/88/632807288.db2.gz OXWWDTNGCNYSFH-HNNXBMFYSA-N 1 2 297.358 3.026 20 30 CGEDLO C[C@H]([NH2+]CCSC(F)(F)F)c1cccc(C#N)c1O ZINC000866238656 633039232 /nfs/dbraw/zinc/03/92/32/633039232.db2.gz QIZIMNFLVICJJL-QMMMGPOBSA-N 1 2 290.310 3.167 20 30 CGEDLO CCc1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866274815 633058422 /nfs/dbraw/zinc/05/84/22/633058422.db2.gz UIHWBKZWNQVWBL-SNVBAGLBSA-N 1 2 287.388 3.134 20 30 CGEDLO C[C@@H]([NH2+]CCSC(C)(C)C)c1cccc(C#N)c1O ZINC000866291715 633067762 /nfs/dbraw/zinc/06/77/62/633067762.db2.gz ANHMAVYMJPPCMH-LLVKDONJSA-N 1 2 278.421 3.446 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1O ZINC000866338155 633086498 /nfs/dbraw/zinc/08/64/98/633086498.db2.gz YAXSXAJONRUAJE-SMDDNHRTSA-N 1 2 288.391 3.261 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1O ZINC000866338151 633086578 /nfs/dbraw/zinc/08/65/78/633086578.db2.gz YAXSXAJONRUAJE-FZMZJTMJSA-N 1 2 288.391 3.261 20 30 CGEDLO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866359198 633099750 /nfs/dbraw/zinc/09/97/50/633099750.db2.gz OHPRXNCTMDVYCL-KBPBESRZSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866367572 633104457 /nfs/dbraw/zinc/10/44/57/633104457.db2.gz KWQRIBWLWPYJBY-ZANVPECISA-N 1 2 299.201 3.498 20 30 CGEDLO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000866368667 633106184 /nfs/dbraw/zinc/10/61/84/633106184.db2.gz FJZAWPBTODBTIO-SNVBAGLBSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@@H]([NH2+]CC1CCC(F)CC1)c1cccc(C#N)c1O ZINC000866381092 633113042 /nfs/dbraw/zinc/11/30/42/633113042.db2.gz HAILVJGDYGBVKD-LKSINWNRSA-N 1 2 276.355 3.443 20 30 CGEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866385912 633115023 /nfs/dbraw/zinc/11/50/23/633115023.db2.gz SNLFJLUGDXQCEK-OLZOCXBDSA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@H]([NH2+]CCCc1ccco1)c1cccc(C#N)c1O ZINC000866392182 633119472 /nfs/dbraw/zinc/11/94/72/633119472.db2.gz ZAWWHECHVIVPTD-LBPRGKRZSA-N 1 2 270.332 3.140 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000826654707 633423515 /nfs/dbraw/zinc/42/35/15/633423515.db2.gz DCMPPVZDVQUVOW-UHFFFAOYSA-N 1 2 257.337 3.038 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)cc1Cl ZINC000827650365 633507222 /nfs/dbraw/zinc/50/72/22/633507222.db2.gz PSRPIKYIFJEREX-CQSZACIVSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)cc1Cl ZINC000827650365 633507225 /nfs/dbraw/zinc/50/72/25/633507225.db2.gz PSRPIKYIFJEREX-CQSZACIVSA-N 1 2 264.756 3.090 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000834894878 634272063 /nfs/dbraw/zinc/27/20/63/634272063.db2.gz VUNACUONYKEYLV-FZQKWOKYSA-N 1 2 283.318 3.055 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000876866018 634916701 /nfs/dbraw/zinc/91/67/01/634916701.db2.gz MESQZEHMNIPOPA-HUUCEWRRSA-N 1 2 287.407 3.263 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000876866156 634917004 /nfs/dbraw/zinc/91/70/04/634917004.db2.gz PLHQDVNRTOIQBK-CABCVRRESA-N 1 2 287.407 3.263 20 30 CGEDLO CCn1c[nH+]cc1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000841504683 635187982 /nfs/dbraw/zinc/18/79/82/635187982.db2.gz KOSNCPYKIONLHG-UHFFFAOYSA-N 1 2 284.363 3.174 20 30 CGEDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000877813482 635220983 /nfs/dbraw/zinc/22/09/83/635220983.db2.gz ZSUQCGQGOYLENW-CYBMUJFWSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000877813482 635220988 /nfs/dbraw/zinc/22/09/88/635220988.db2.gz ZSUQCGQGOYLENW-CYBMUJFWSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1 ZINC000877824224 635228667 /nfs/dbraw/zinc/22/86/67/635228667.db2.gz PWWXNAKGAOITFK-RISCZKNCSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1 ZINC000877824224 635228678 /nfs/dbraw/zinc/22/86/78/635228678.db2.gz PWWXNAKGAOITFK-RISCZKNCSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000129563567 636308305 /nfs/dbraw/zinc/30/83/05/636308305.db2.gz DQSWMKCOVGWREG-GFCCVEGCSA-N 1 2 296.370 3.016 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000129563567 636308308 /nfs/dbraw/zinc/30/83/08/636308308.db2.gz DQSWMKCOVGWREG-GFCCVEGCSA-N 1 2 296.370 3.016 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000847024880 636315382 /nfs/dbraw/zinc/31/53/82/636315382.db2.gz MBINNAQEAVDUIA-OLZOCXBDSA-N 1 2 278.421 3.086 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000847024880 636315385 /nfs/dbraw/zinc/31/53/85/636315385.db2.gz MBINNAQEAVDUIA-OLZOCXBDSA-N 1 2 278.421 3.086 20 30 CGEDLO C[C@H]1C(=NNCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000848417555 636572280 /nfs/dbraw/zinc/57/22/80/636572280.db2.gz AZDDHMHZEIAALL-ZBFHGGJFSA-N 1 2 282.391 3.042 20 30 CGEDLO C=C(C)[C@@H]1CCC(C)=C(N=NCCCn2cc[nH+]c2)C1 ZINC000848419088 636573233 /nfs/dbraw/zinc/57/32/33/636573233.db2.gz QXZHVNQZOVWNLA-OAHLLOKOSA-N 1 2 272.396 3.151 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000848876725 636668805 /nfs/dbraw/zinc/66/88/05/636668805.db2.gz KRUHKYYNMFYXOP-INIZCTEOSA-N 1 2 299.805 3.196 20 30 CGEDLO C#CC[N@H+](Cc1cnc(Cl)n1C)[C@H]1CCc2ccccc21 ZINC000848876725 636668809 /nfs/dbraw/zinc/66/88/09/636668809.db2.gz KRUHKYYNMFYXOP-INIZCTEOSA-N 1 2 299.805 3.196 20 30 CGEDLO CCSCc1ccc[nH+]c1NCc1ccc(C#N)o1 ZINC000883378489 636721422 /nfs/dbraw/zinc/72/14/22/636721422.db2.gz NNFOSSDFZBGVPV-UHFFFAOYSA-N 1 2 273.361 3.411 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000852101668 637596194 /nfs/dbraw/zinc/59/61/94/637596194.db2.gz GHPMKYZFXPCPEK-DYVFJYSZSA-N 1 2 283.375 3.113 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)[C@@H](C)CC ZINC000853323761 637809550 /nfs/dbraw/zinc/80/95/50/637809550.db2.gz LKDZTKLWJMIVMU-YOEHRIQHSA-N 1 2 290.407 3.083 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCC(C)(C)CO ZINC000853371346 637826669 /nfs/dbraw/zinc/82/66/69/637826669.db2.gz UWKBFQBPWHNUAT-UHFFFAOYSA-N 1 2 290.407 3.084 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCCSC1 ZINC000853629118 637876562 /nfs/dbraw/zinc/87/65/62/637876562.db2.gz FMCYPJDEVKKQBE-CQSZACIVSA-N 1 2 290.432 3.429 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1CC(F)(F)C1 ZINC000853642225 637879980 /nfs/dbraw/zinc/87/99/80/637879980.db2.gz CQWLGONHHPYWAX-UHFFFAOYSA-N 1 2 280.318 3.331 20 30 CGEDLO COc1ccc(CCC(C)=NOCc2ccc[nH+]c2N)cc1 ZINC000853659009 637884335 /nfs/dbraw/zinc/88/43/35/637884335.db2.gz XGFKMSHGOLKUNH-UHFFFAOYSA-N 1 2 299.374 3.198 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCS[C@H]1C ZINC000853710797 637898507 /nfs/dbraw/zinc/89/85/07/637898507.db2.gz ZPBIVEOJEMSRFA-QWHCGFSZSA-N 1 2 276.405 3.180 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC1CC(OC)C1 ZINC000853747866 637907693 /nfs/dbraw/zinc/90/76/93/637907693.db2.gz AMLUQXWJYUUAHY-UHFFFAOYSA-N 1 2 288.391 3.101 20 30 CGEDLO CC[C@@H]([NH2+]CCc1c(C)noc1C)c1cccc(C#N)c1O ZINC000925004134 638436912 /nfs/dbraw/zinc/43/69/12/638436912.db2.gz QOGIWOAZXHFTOD-MRXNPFEDSA-N 1 2 299.374 3.152 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000925437085 638503152 /nfs/dbraw/zinc/50/31/52/638503152.db2.gz JLVLVWOATNXFIO-ZFWWWQNUSA-N 1 2 256.349 3.413 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(C#N)c1O ZINC000926222761 638744708 /nfs/dbraw/zinc/74/47/08/638744708.db2.gz UDRAIFMZKIGXIS-ZFWWWQNUSA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929830271 638955141 /nfs/dbraw/zinc/95/51/41/638955141.db2.gz CWFYVKLAXHRSGG-IACUBPJLSA-N 1 2 264.319 3.269 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929830271 638955143 /nfs/dbraw/zinc/95/51/43/638955143.db2.gz CWFYVKLAXHRSGG-IACUBPJLSA-N 1 2 264.319 3.269 20 30 CGEDLO C#CC[C@@H](COC)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000858860181 639031531 /nfs/dbraw/zinc/03/15/31/639031531.db2.gz GCAZKFJKCLLSDG-NSHDSACASA-N 1 2 274.751 3.338 20 30 CGEDLO C=CC[N@H+](Cc1ccncc1Br)C(C)C ZINC000859081604 639073616 /nfs/dbraw/zinc/07/36/16/639073616.db2.gz HVTUNMAXRVPHLK-UHFFFAOYSA-N 1 2 269.186 3.241 20 30 CGEDLO C=CC[N@@H+](Cc1ccncc1Br)C(C)C ZINC000859081604 639073618 /nfs/dbraw/zinc/07/36/18/639073618.db2.gz HVTUNMAXRVPHLK-UHFFFAOYSA-N 1 2 269.186 3.241 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)o1)[C@@H]1CCC[C@@H]1C#N ZINC000931474284 639157391 /nfs/dbraw/zinc/15/73/91/639157391.db2.gz DTVMKQGTFUCZDA-GDBMZVCRSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@@H]1CCC[C@@H]1C#N ZINC000931474284 639157397 /nfs/dbraw/zinc/15/73/97/639157397.db2.gz DTVMKQGTFUCZDA-GDBMZVCRSA-N 1 2 281.359 3.466 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)c1 ZINC000931531134 639163698 /nfs/dbraw/zinc/16/36/98/639163698.db2.gz BWNSTVOXKBMECC-GOSISDBHSA-N 1 2 295.361 3.414 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)c1 ZINC000931531134 639163701 /nfs/dbraw/zinc/16/37/01/639163701.db2.gz BWNSTVOXKBMECC-GOSISDBHSA-N 1 2 295.361 3.414 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000930268904 639317825 /nfs/dbraw/zinc/31/78/25/639317825.db2.gz FCKGFFXZFVRSAW-ZBEGNZNMSA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000930268904 639317832 /nfs/dbraw/zinc/31/78/32/639317832.db2.gz FCKGFFXZFVRSAW-ZBEGNZNMSA-N 1 2 290.794 3.211 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000305712780 640900247 /nfs/dbraw/zinc/90/02/47/640900247.db2.gz SLOSZBAFNANFOE-ZDUSSCGKSA-N 1 2 287.190 3.262 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000305712780 640900249 /nfs/dbraw/zinc/90/02/49/640900249.db2.gz SLOSZBAFNANFOE-ZDUSSCGKSA-N 1 2 287.190 3.262 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C1CCN(c2ccccc2)CC1 ZINC000098161441 640901047 /nfs/dbraw/zinc/90/10/47/640901047.db2.gz XFQLBORCIXEPGN-XMHGGMMESA-N 1 2 280.371 3.480 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016423204 640998467 /nfs/dbraw/zinc/99/84/67/640998467.db2.gz CIMYHMJUGUQQGR-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016423204 640998473 /nfs/dbraw/zinc/99/84/73/640998473.db2.gz CIMYHMJUGUQQGR-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO CC[N@H+](CCC#N)C(C)(C)c1ccnc(Cl)c1 ZINC001165048145 721988009 /nfs/dbraw/zinc/98/80/09/721988009.db2.gz KABXYERUZVBBED-UHFFFAOYSA-N 1 2 251.761 3.206 20 30 CGEDLO CC[N@@H+](CCC#N)C(C)(C)c1ccnc(Cl)c1 ZINC001165048145 721988010 /nfs/dbraw/zinc/98/80/10/721988010.db2.gz KABXYERUZVBBED-UHFFFAOYSA-N 1 2 251.761 3.206 20 30 CGEDLO C=CCN(c1nc(NC(C)C)c(OC)c[nH+]1)C(C)(C)C ZINC001157582854 805839252 /nfs/dbraw/zinc/83/92/52/805839252.db2.gz HDXWSXMWHITGSE-UHFFFAOYSA-N 1 2 278.400 3.096 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+][C@@H](CC)C(=O)OCC ZINC001252140750 806024767 /nfs/dbraw/zinc/02/47/67/806024767.db2.gz TWVJWTRZYUMHFN-CABCVRRESA-N 1 2 287.444 3.029 20 30 CGEDLO Cc1nc(NCc2ccc(C#N)s2)cc(C(C)C)[nH+]1 ZINC001159174393 806056295 /nfs/dbraw/zinc/05/62/95/806056295.db2.gz WSAHYXLQOSOGEI-UHFFFAOYSA-N 1 2 272.377 3.454 20 30 CGEDLO C=CCC[C@H](O)CNc1c[nH+]c(CC(C)C)cc1C ZINC001252594039 806079516 /nfs/dbraw/zinc/07/95/16/806079516.db2.gz RGZYWCXVMUPCEU-HNNXBMFYSA-N 1 2 262.397 3.328 20 30 CGEDLO CCCCCCCCCC[C@@H](O)C[NH2+]CC(F)(F)CO ZINC001252986551 806148316 /nfs/dbraw/zinc/14/83/16/806148316.db2.gz MODGFSUXLMUOSI-CQSZACIVSA-N 1 2 295.414 3.095 20 30 CGEDLO Cc1cc(Cl)nc(NCc2c[nH+]cn2C(C)C)c1C#N ZINC001161563241 806394454 /nfs/dbraw/zinc/39/44/54/806394454.db2.gz UZPXHPVQHOOGKU-UHFFFAOYSA-N 1 2 289.770 3.305 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001255164579 806563096 /nfs/dbraw/zinc/56/30/96/806563096.db2.gz OLAQKMPDHBOMHY-TVQRCGJNSA-N 1 2 250.292 3.234 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001255171958 806564443 /nfs/dbraw/zinc/56/44/43/806564443.db2.gz FYQNZVHQBSSTJM-LSDHHAIUSA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001255171958 806564450 /nfs/dbraw/zinc/56/44/50/806564450.db2.gz FYQNZVHQBSSTJM-LSDHHAIUSA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001255176396 806571005 /nfs/dbraw/zinc/57/10/05/806571005.db2.gz ARLZYBGBXZARRJ-BFHYXJOUSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001255176396 806571011 /nfs/dbraw/zinc/57/10/11/806571011.db2.gz ARLZYBGBXZARRJ-BFHYXJOUSA-N 1 2 295.427 3.056 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3cnn4ccccc34)c2c1 ZINC001163276556 806735630 /nfs/dbraw/zinc/73/56/30/806735630.db2.gz AZWMTCKTYJQPIS-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccsc1Br ZINC000388393896 799452943 /nfs/dbraw/zinc/45/29/43/799452943.db2.gz FPBDKJGLLRKSEF-UHFFFAOYSA-N 1 2 266.591 3.353 20 30 CGEDLO C=C(C)CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001163378561 806754928 /nfs/dbraw/zinc/75/49/28/806754928.db2.gz NGINLJWPFOMVJZ-UHFFFAOYSA-N 1 2 266.142 3.313 20 30 CGEDLO C=C(C)CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001163378561 806754933 /nfs/dbraw/zinc/75/49/33/806754933.db2.gz NGINLJWPFOMVJZ-UHFFFAOYSA-N 1 2 266.142 3.313 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCCC(=O)OC(C)(C)C ZINC001163408614 806760559 /nfs/dbraw/zinc/76/05/59/806760559.db2.gz XASGKJLRNXNBSV-UHFFFAOYSA-N 1 2 276.380 3.262 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1cccc(F)c1)C(=O)OCC ZINC001255852776 806769336 /nfs/dbraw/zinc/76/93/36/806769336.db2.gz CTXMBIIIIVYFRW-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO Oc1ccc(/C=[NH+]/CC[C@H]2CCc3ccccc32)c(O)c1O ZINC000840707138 800498284 /nfs/dbraw/zinc/49/82/84/800498284.db2.gz NQYJVRDKCXVQRH-OTGIAGGSSA-N 1 2 297.354 3.342 20 30 CGEDLO C#C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C)cc1 ZINC000860962377 800525407 /nfs/dbraw/zinc/52/54/07/800525407.db2.gz PHZIGSHMJDMHDE-HOCLYGCPSA-N 1 2 282.343 3.060 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028122310 800832054 /nfs/dbraw/zinc/83/20/54/800832054.db2.gz GKUASKQYDCJJAC-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028122310 800832059 /nfs/dbraw/zinc/83/20/59/800832059.db2.gz GKUASKQYDCJJAC-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001039821502 801166511 /nfs/dbraw/zinc/16/65/11/801166511.db2.gz SNUDMQNZLOAZCK-KFWWJZLASA-N 1 2 296.430 3.012 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001039821502 801166512 /nfs/dbraw/zinc/16/65/12/801166512.db2.gz SNUDMQNZLOAZCK-KFWWJZLASA-N 1 2 296.430 3.012 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)oc3ccccc32)C1 ZINC001042778797 801212157 /nfs/dbraw/zinc/21/21/57/801212157.db2.gz XUBVLUDJFOAXHE-UHFFFAOYSA-N 1 2 298.386 3.074 20 30 CGEDLO N#CCc1ccc(NCCSCc2ccco2)[nH+]c1 ZINC001164216053 806917487 /nfs/dbraw/zinc/91/74/87/806917487.db2.gz REDVTNRFWHSMSO-UHFFFAOYSA-N 1 2 273.361 3.086 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088555054 801800673 /nfs/dbraw/zinc/80/06/73/801800673.db2.gz QZHPRPKOZQDWFJ-MFKMUULPSA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088555054 801800681 /nfs/dbraw/zinc/80/06/81/801800681.db2.gz QZHPRPKOZQDWFJ-MFKMUULPSA-N 1 2 298.839 3.002 20 30 CGEDLO Cc1[nH+]c(N2CC(F)(F)C[C@]2(C)CF)ccc1CC#N ZINC001164568234 806958259 /nfs/dbraw/zinc/95/82/59/806958259.db2.gz RYBIEDFQAJWFSJ-CYBMUJFWSA-N 1 2 283.297 3.030 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109634067 802121226 /nfs/dbraw/zinc/12/12/26/802121226.db2.gz BGMIAAMPPHHAPI-XGUBFFRZSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109634067 802121229 /nfs/dbraw/zinc/12/12/29/802121229.db2.gz BGMIAAMPPHHAPI-XGUBFFRZSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109681871 802122696 /nfs/dbraw/zinc/12/26/96/802122696.db2.gz KUTDRKBRQHVZMF-ORIJERBGSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109681871 802122702 /nfs/dbraw/zinc/12/27/02/802122702.db2.gz KUTDRKBRQHVZMF-ORIJERBGSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110906629 802148543 /nfs/dbraw/zinc/14/85/43/802148543.db2.gz BLIPUJKMWHHRQW-KFWWJZLASA-N 1 2 296.842 3.207 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110906629 802148545 /nfs/dbraw/zinc/14/85/45/802148545.db2.gz BLIPUJKMWHHRQW-KFWWJZLASA-N 1 2 296.842 3.207 20 30 CGEDLO C#CC[N@@H+](Cc1nc(Cl)ccc1Cl)CC1CC1 ZINC001116607198 802384507 /nfs/dbraw/zinc/38/45/07/802384507.db2.gz ISIUNZALFFGHJP-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C#CC[N@H+](Cc1nc(Cl)ccc1Cl)CC1CC1 ZINC001116607198 802384514 /nfs/dbraw/zinc/38/45/14/802384514.db2.gz ISIUNZALFFGHJP-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO CC(C)COCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172474778 808339996 /nfs/dbraw/zinc/33/99/96/808339996.db2.gz VWSRNQTZUJHAIU-MRXNPFEDSA-N 1 2 289.423 3.248 20 30 CGEDLO CC(C)COCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172474778 808340004 /nfs/dbraw/zinc/34/00/04/808340004.db2.gz VWSRNQTZUJHAIU-MRXNPFEDSA-N 1 2 289.423 3.248 20 30 CGEDLO CCOc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001117392897 802464410 /nfs/dbraw/zinc/46/44/10/802464410.db2.gz ZXUJFRSYEHAYRP-XFXZXTDPSA-N 1 2 296.370 3.442 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC001118824220 802607970 /nfs/dbraw/zinc/60/79/70/802607970.db2.gz ASZJYQLZLHFEEY-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC001118824220 802607974 /nfs/dbraw/zinc/60/79/74/802607974.db2.gz ASZJYQLZLHFEEY-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C=C(CC)C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001124015524 802989510 /nfs/dbraw/zinc/98/95/10/802989510.db2.gz LVJHCQSMHYYWOB-AWEZNQCLSA-N 1 2 289.423 3.310 20 30 CGEDLO Cc1cc(-c2nccc3ccc(C#N)cc32)c[nH+]c1N ZINC001245536424 803795277 /nfs/dbraw/zinc/79/52/77/803795277.db2.gz QAFIFNMOJRRZAZ-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(F)c1F ZINC001137969647 803810885 /nfs/dbraw/zinc/81/08/85/803810885.db2.gz BRTFYKPRLWEOQK-UHFFFAOYSA-N 1 2 264.319 3.399 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC001138085421 803847883 /nfs/dbraw/zinc/84/78/83/803847883.db2.gz DQXJPMAENASAIY-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(C(F)(F)F)ccc1Cl ZINC001138085421 803847893 /nfs/dbraw/zinc/84/78/93/803847893.db2.gz DQXJPMAENASAIY-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1cncnc1 ZINC001138666075 803999751 /nfs/dbraw/zinc/99/97/51/803999751.db2.gz HRUNUTVALRRVDD-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cncnc1 ZINC001138666075 803999758 /nfs/dbraw/zinc/99/97/58/803999758.db2.gz HRUNUTVALRRVDD-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO CN(C)c1ccc[nH+]c1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212251426 814997587 /nfs/dbraw/zinc/99/75/87/814997587.db2.gz BMHAAKXVODAVQU-UHFFFAOYSA-N 1 2 278.359 3.446 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139504501 804197188 /nfs/dbraw/zinc/19/71/88/804197188.db2.gz YDYQZVVHHJXOOL-GFCCVEGCSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139504501 804197192 /nfs/dbraw/zinc/19/71/92/804197192.db2.gz YDYQZVVHHJXOOL-GFCCVEGCSA-N 1 2 269.373 3.156 20 30 CGEDLO N#CCC[N@H+](Cc1ccnnc1)C1CCCCCCC1 ZINC001139982776 804341928 /nfs/dbraw/zinc/34/19/28/804341928.db2.gz AUTCHSFZGIVSOY-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#CCC[N@@H+](Cc1ccnnc1)C1CCCCCCC1 ZINC001139982776 804341937 /nfs/dbraw/zinc/34/19/37/804341937.db2.gz AUTCHSFZGIVSOY-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140108392 804378603 /nfs/dbraw/zinc/37/86/03/804378603.db2.gz VWAOIJGUZPFAAS-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140108392 804378613 /nfs/dbraw/zinc/37/86/13/804378613.db2.gz VWAOIJGUZPFAAS-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO CC1(C)CCc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc2O1 ZINC001141183341 804604943 /nfs/dbraw/zinc/60/49/43/804604943.db2.gz ARBGPKDOAVHVFB-CQSZACIVSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)CCc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc2O1 ZINC001141183341 804604945 /nfs/dbraw/zinc/60/49/45/804604945.db2.gz ARBGPKDOAVHVFB-CQSZACIVSA-N 1 2 270.376 3.136 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1sccc1OC ZINC001141324769 804630915 /nfs/dbraw/zinc/63/09/15/804630915.db2.gz UHZSSOPKKVFTHC-UHFFFAOYSA-N 1 2 252.383 3.272 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1sccc1OC ZINC001141324769 804630917 /nfs/dbraw/zinc/63/09/17/804630917.db2.gz UHZSSOPKKVFTHC-UHFFFAOYSA-N 1 2 252.383 3.272 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc2cc(F)ccc2n1 ZINC001141649619 804660868 /nfs/dbraw/zinc/66/08/68/804660868.db2.gz YBPKAOYGOPLJCG-UHFFFAOYSA-N 1 2 271.339 3.500 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc2cc(F)ccc2n1 ZINC001141649619 804660869 /nfs/dbraw/zinc/66/08/69/804660869.db2.gz YBPKAOYGOPLJCG-UHFFFAOYSA-N 1 2 271.339 3.500 20 30 CGEDLO C[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141895018 804677822 /nfs/dbraw/zinc/67/78/22/804677822.db2.gz YFVCKEZYFNFRSF-SNVBAGLBSA-N 1 2 279.181 3.305 20 30 CGEDLO C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141895018 804677824 /nfs/dbraw/zinc/67/78/24/804677824.db2.gz YFVCKEZYFNFRSF-SNVBAGLBSA-N 1 2 279.181 3.305 20 30 CGEDLO CSC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143173264 804813866 /nfs/dbraw/zinc/81/38/66/804813866.db2.gz URHXRAZXQNWWFB-UHFFFAOYSA-N 1 2 282.359 3.164 20 30 CGEDLO C#CC[N@@H+](C)Cc1c(Cl)cccc1C(F)(F)F ZINC001143288482 804831928 /nfs/dbraw/zinc/83/19/28/804831928.db2.gz LALFJYVLCDFNOJ-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO C#CC[N@H+](C)Cc1c(Cl)cccc1C(F)(F)F ZINC001143288482 804831934 /nfs/dbraw/zinc/83/19/34/804831934.db2.gz LALFJYVLCDFNOJ-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO COc1c(F)ccc(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC001143322237 804836216 /nfs/dbraw/zinc/83/62/16/804836216.db2.gz WIXAFGGEGMAGGM-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001143394943 804847673 /nfs/dbraw/zinc/84/76/73/804847673.db2.gz WVSDXMHTLGCIPH-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143394943 804847679 /nfs/dbraw/zinc/84/76/79/804847679.db2.gz WVSDXMHTLGCIPH-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001143495580 804858404 /nfs/dbraw/zinc/85/84/04/804858404.db2.gz PIHREJYTHZIQNS-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143495580 804858410 /nfs/dbraw/zinc/85/84/10/804858410.db2.gz PIHREJYTHZIQNS-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001143761716 804893040 /nfs/dbraw/zinc/89/30/40/804893040.db2.gz RQWYWWADEBKORF-AWEZNQCLSA-N 1 2 295.354 3.047 20 30 CGEDLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001143761716 804893044 /nfs/dbraw/zinc/89/30/44/804893044.db2.gz RQWYWWADEBKORF-AWEZNQCLSA-N 1 2 295.354 3.047 20 30 CGEDLO C#Cc1cc(Nc2cc(SC)ccc2F)cc[nH+]1 ZINC001250119002 805427000 /nfs/dbraw/zinc/42/70/00/805427000.db2.gz KSVANYGUXDPRID-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)nc(C(C)C)[nH+]1 ZINC001166741688 807089739 /nfs/dbraw/zinc/08/97/39/807089739.db2.gz ROWMDRXXFLOSNQ-ZDUSSCGKSA-N 1 2 258.369 3.039 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCC=C(C)C)C(=O)OCC ZINC001258083630 807297501 /nfs/dbraw/zinc/29/75/01/807297501.db2.gz MGVVBKNQYALBQS-IIAWOOMASA-N 1 2 265.397 3.219 20 30 CGEDLO CCCCC[C@@H](CCC)[NH2+][C@@H](CS)C(=O)OCC ZINC001258661257 807529167 /nfs/dbraw/zinc/52/91/67/807529167.db2.gz DITBRTUYGLOVSR-OLZOCXBDSA-N 1 2 275.458 3.187 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OCC=C ZINC001258718718 807567299 /nfs/dbraw/zinc/56/72/99/807567299.db2.gz UUJVTLARVRCZMU-RDJZCZTQSA-N 1 2 287.403 3.271 20 30 CGEDLO C#C[C@](C)(CC)Nc1c(Br)ccc2[nH+]ccn21 ZINC001169699990 807691635 /nfs/dbraw/zinc/69/16/35/807691635.db2.gz FIFCHUOWFVUZTG-CYBMUJFWSA-N 1 2 292.180 3.311 20 30 CGEDLO C=CCn1ccc2c1nc[nH+]c2NC1=CC(=O)CC(C)(C)C1 ZINC001169951758 807729643 /nfs/dbraw/zinc/72/96/43/807729643.db2.gz UPJXAMXSYKWCQY-UHFFFAOYSA-N 1 2 296.374 3.302 20 30 CGEDLO COc1cc(C)[nH+]c(CSCC2(CC#N)CC2)c1 ZINC001261657579 807774482 /nfs/dbraw/zinc/77/44/82/807774482.db2.gz FSQKTACTPNMBPB-UHFFFAOYSA-N 1 2 262.378 3.326 20 30 CGEDLO Cc1cc(NCCCS)[nH+]cc1C(F)(F)F ZINC001170999403 807955219 /nfs/dbraw/zinc/95/52/19/807955219.db2.gz FNYVSUKBGKJLTL-UHFFFAOYSA-N 1 2 250.289 3.141 20 30 CGEDLO N=C(Nc1ccc2[nH]c[nH+]c2c1)c1ccc2ccccc2n1 ZINC001171048268 807972259 /nfs/dbraw/zinc/97/22/59/807972259.db2.gz NGACFZPWEJGDOQ-UHFFFAOYSA-N 1 2 287.326 3.148 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001263768775 808002860 /nfs/dbraw/zinc/00/28/60/808002860.db2.gz FNUDLERCJGEYTP-MRXNPFEDSA-N 1 2 297.402 3.176 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001171938785 808156336 /nfs/dbraw/zinc/15/63/36/808156336.db2.gz CVUUTXNWWALVNY-UHFFFAOYSA-N 1 2 292.423 3.314 20 30 CGEDLO CCCCCCCC[C@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001172506080 808361902 /nfs/dbraw/zinc/36/19/02/808361902.db2.gz NCIBJDRMMCGGNS-ILXRZTDVSA-N 1 2 287.444 3.028 20 30 CGEDLO CO[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001172917193 808478584 /nfs/dbraw/zinc/47/85/84/808478584.db2.gz BHXOGODMOWVEGL-UONOGXRCSA-N 1 2 250.386 3.150 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172923912 808482191 /nfs/dbraw/zinc/48/21/91/808482191.db2.gz QAGQBIIUMGJQAV-HZPDHXFCSA-N 1 2 299.455 3.437 20 30 CGEDLO C=CCOC1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001173317351 808608874 /nfs/dbraw/zinc/60/88/74/808608874.db2.gz GDJSRPIJRUUTGH-GPANFISMSA-N 1 2 264.413 3.418 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC(C)(C)C1CC1 ZINC001268730024 808617624 /nfs/dbraw/zinc/61/76/24/808617624.db2.gz QYRMDARHYRXLJK-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC(C)(C)C1CC1 ZINC001268730024 808617629 /nfs/dbraw/zinc/61/76/29/808617629.db2.gz QYRMDARHYRXLJK-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CCC)C1 ZINC001269221803 808657645 /nfs/dbraw/zinc/65/76/45/808657645.db2.gz PDYQMUNOKBOVSC-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CCC)C1 ZINC001269221803 808657649 /nfs/dbraw/zinc/65/76/49/808657649.db2.gz PDYQMUNOKBOVSC-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1 ZINC001277671684 809088270 /nfs/dbraw/zinc/08/82/70/809088270.db2.gz ZWIKMBXOLPAUNP-KBPBESRZSA-N 1 2 280.456 3.023 20 30 CGEDLO CN(C)c1ccc(Nc2ccc(C(C)(C)C#N)nc2)c[nH+]1 ZINC001175339094 809364950 /nfs/dbraw/zinc/36/49/50/809364950.db2.gz WPPWVJPRZIEHGC-UHFFFAOYSA-N 1 2 281.363 3.087 20 30 CGEDLO CCc1cc(C#N)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175343853 809368812 /nfs/dbraw/zinc/36/88/12/809368812.db2.gz RBIALPFHHIUCQV-UHFFFAOYSA-N 1 2 266.348 3.325 20 30 CGEDLO COc1cccc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352787 809373836 /nfs/dbraw/zinc/37/38/36/809373836.db2.gz RGVSRIXQMRMAHF-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO N#CCc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175712717 809517370 /nfs/dbraw/zinc/51/73/70/809517370.db2.gz IFLRAVDTKGVBRY-UHFFFAOYSA-N 1 2 292.264 3.492 20 30 CGEDLO C#Cc1cc(Nc2ccc(-c3ccccn3)cc2)cc[nH+]1 ZINC001176036733 809605971 /nfs/dbraw/zinc/60/59/71/809605971.db2.gz CROSSHIYKHGDSI-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc([C@@H](C)C#N)cc1 ZINC001176120712 809627856 /nfs/dbraw/zinc/62/78/56/809627856.db2.gz IWCLGSJNAYKUIL-NSHDSACASA-N 1 2 253.305 3.461 20 30 CGEDLO COc1cc[nH+]cc1Nc1cccc(Cl)c1C#N ZINC001176122572 809629122 /nfs/dbraw/zinc/62/91/22/809629122.db2.gz BPQRIZVMLNWOCE-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO N#Cc1ncc(Cl)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749114 809756588 /nfs/dbraw/zinc/75/65/88/809756588.db2.gz VNYIYVKIUPJGIW-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001178692154 809883657 /nfs/dbraw/zinc/88/36/57/809883657.db2.gz WXFUBHKTVBDXSQ-ZDUSSCGKSA-N 1 2 299.399 3.196 20 30 CGEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001178692154 809883662 /nfs/dbraw/zinc/88/36/62/809883662.db2.gz WXFUBHKTVBDXSQ-ZDUSSCGKSA-N 1 2 299.399 3.196 20 30 CGEDLO CC#CCCCCCCCC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001182770098 810124040 /nfs/dbraw/zinc/12/40/40/810124040.db2.gz DHUMUWSQSQRURY-UHFFFAOYSA-N 1 2 289.423 3.131 20 30 CGEDLO C#Cc1cc(Nc2c(Cl)ccc(F)c2F)cc[nH+]1 ZINC001213942562 815348227 /nfs/dbraw/zinc/34/82/27/815348227.db2.gz DLPYMUCEKRZFIT-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO C#CCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184967397 810225872 /nfs/dbraw/zinc/22/58/72/810225872.db2.gz BOLXWXHCZGYLKU-UHFFFAOYSA-N 1 2 293.370 3.437 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](CCOc2cccc3ccccc32)C1 ZINC001197620672 811438622 /nfs/dbraw/zinc/43/86/22/811438622.db2.gz BPHMWAYGTRNASP-HNNXBMFYSA-N 1 2 280.371 3.454 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC001197620672 811438623 /nfs/dbraw/zinc/43/86/23/811438623.db2.gz BPHMWAYGTRNASP-HNNXBMFYSA-N 1 2 280.371 3.454 20 30 CGEDLO N#Cc1cccc(NC(=S)Nc2cccc3[nH+]ccn32)c1 ZINC001197671350 811444846 /nfs/dbraw/zinc/44/48/46/811444846.db2.gz RMBKYRDYYVNRHR-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO Cn1c2ccccc2[nH+]c1Nc1ccc(C#N)cc1F ZINC001201556190 811903612 /nfs/dbraw/zinc/90/36/12/811903612.db2.gz YLKYUHZGDQHUIX-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO Cc1ccc(Nc2ccc(Cl)nc2C#N)c(C)[nH+]1 ZINC001203363470 812324518 /nfs/dbraw/zinc/32/45/18/812324518.db2.gz SCLCSFIPMSUQPR-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO COc1cc(C#N)ccc1Nc1ccc(C)[nH+]c1C ZINC001203374077 812329565 /nfs/dbraw/zinc/32/95/65/812329565.db2.gz DJCAFKYHCVAMOJ-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1ccc(C#N)cc1Nc1cc(C)c[nH+]c1C ZINC001203664042 812422598 /nfs/dbraw/zinc/42/25/98/812422598.db2.gz VJPNTPQLHCAOBZ-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(F)c1)C2 ZINC001204228766 812578131 /nfs/dbraw/zinc/57/81/31/812578131.db2.gz XIEIPJBGYMBCBM-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(F)c1)C2 ZINC001204228766 812578136 /nfs/dbraw/zinc/57/81/36/812578136.db2.gz XIEIPJBGYMBCBM-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1csc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204951009 812794068 /nfs/dbraw/zinc/79/40/68/812794068.db2.gz MEOASOVDFPZHJU-UHFFFAOYSA-N 1 2 254.318 3.320 20 30 CGEDLO N#Cc1cc(F)c(Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC001204982779 812807966 /nfs/dbraw/zinc/80/79/66/812807966.db2.gz IPZYGALLQOIBHF-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001205840954 813104100 /nfs/dbraw/zinc/10/41/00/813104100.db2.gz NUBIIZZJXHJXKD-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1ccccc1F)C(=O)OCC ZINC001205849716 813107509 /nfs/dbraw/zinc/10/75/09/813107509.db2.gz TWACXBAYQQNVTA-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO CC1(C)C[C@H](C[N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001207354474 813548665 /nfs/dbraw/zinc/54/86/65/813548665.db2.gz VFCJFQRMIBWNIY-OAHLLOKOSA-N 1 2 287.407 3.002 20 30 CGEDLO CC1(C)C[C@H](C[N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001207354474 813548673 /nfs/dbraw/zinc/54/86/73/813548673.db2.gz VFCJFQRMIBWNIY-OAHLLOKOSA-N 1 2 287.407 3.002 20 30 CGEDLO CC(C)(O)CCCC1=CC[C@H](C[NH+]2CC(C#N)C2)CC1 ZINC001207401197 813557146 /nfs/dbraw/zinc/55/71/46/813557146.db2.gz FAEHLXDZWPFBDP-HNNXBMFYSA-N 1 2 276.424 3.109 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC001208123061 813697481 /nfs/dbraw/zinc/69/74/81/813697481.db2.gz DQYPOQKWWXZPSL-SCOAYWHSSA-N 1 2 297.439 3.167 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC001208123061 813697484 /nfs/dbraw/zinc/69/74/84/813697484.db2.gz DQYPOQKWWXZPSL-SCOAYWHSSA-N 1 2 297.439 3.167 20 30 CGEDLO C[C@H]1CC[N@H+](CCCc2ccc(C#N)cc2)CC1(F)F ZINC001208855712 813869174 /nfs/dbraw/zinc/86/91/74/813869174.db2.gz GAMULFYPBWKUTR-ZDUSSCGKSA-N 1 2 278.346 3.468 20 30 CGEDLO C[C@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)CC1(F)F ZINC001208855712 813869184 /nfs/dbraw/zinc/86/91/84/813869184.db2.gz GAMULFYPBWKUTR-ZDUSSCGKSA-N 1 2 278.346 3.468 20 30 CGEDLO CC1(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CCCCC1 ZINC001208896596 813885645 /nfs/dbraw/zinc/88/56/45/813885645.db2.gz NAXWBYTXALYJDF-CYBMUJFWSA-N 1 2 265.422 3.231 20 30 CGEDLO CC1(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CCCCC1 ZINC001208896596 813885650 /nfs/dbraw/zinc/88/56/50/813885650.db2.gz NAXWBYTXALYJDF-CYBMUJFWSA-N 1 2 265.422 3.231 20 30 CGEDLO N#CCC1C[NH+](CCc2c(Cl)cccc2Cl)C1 ZINC001209107075 813934874 /nfs/dbraw/zinc/93/48/74/813934874.db2.gz YTSIJNCBNXYCMQ-UHFFFAOYSA-N 1 2 269.175 3.381 20 30 CGEDLO COc1cc(C#N)ccc1Nc1[nH+]cc(C)cc1C ZINC001209272094 813991629 /nfs/dbraw/zinc/99/16/29/813991629.db2.gz JXIJONVUCWHCBY-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc(C#N)ccc1Nc1cc[nH+]c(SC)c1 ZINC001209328387 814000189 /nfs/dbraw/zinc/00/01/89/814000189.db2.gz IPTGPFORXPVSGY-UHFFFAOYSA-N 1 2 271.345 3.427 20 30 CGEDLO C[C@H]1CC(C[N@H+](CCC#N)Cc2cccnc2)C[C@H](C)O1 ZINC001209378566 814007230 /nfs/dbraw/zinc/00/72/30/814007230.db2.gz BSFDHESPNOESDS-GJZGRUSLSA-N 1 2 287.407 3.001 20 30 CGEDLO C[C@H]1CC(C[N@@H+](CCC#N)Cc2cccnc2)C[C@H](C)O1 ZINC001209378566 814007236 /nfs/dbraw/zinc/00/72/36/814007236.db2.gz BSFDHESPNOESDS-GJZGRUSLSA-N 1 2 287.407 3.001 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001209800622 814145972 /nfs/dbraw/zinc/14/59/72/814145972.db2.gz WJBXFMNGVBKFMY-MRVWCRGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001209800622 814145979 /nfs/dbraw/zinc/14/59/79/814145979.db2.gz WJBXFMNGVBKFMY-MRVWCRGKSA-N 1 2 286.847 3.002 20 30 CGEDLO COc1cccc(Nc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC001210123944 814300746 /nfs/dbraw/zinc/30/07/46/814300746.db2.gz CEYWYEHDTTXBIR-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc3nc(C#N)sc3c2)cc1N ZINC001210290392 814386381 /nfs/dbraw/zinc/38/63/81/814386381.db2.gz LDYOVTKNBSTRPU-UHFFFAOYSA-N 1 2 281.344 3.197 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(C#N)ccc2C)c[nH+]1 ZINC001210500847 814492263 /nfs/dbraw/zinc/49/22/63/814492263.db2.gz OMODYFUOQFMYFZ-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO N#Cc1cc(Nc2cccc(C3CC3)[nH+]2)ccc1O ZINC001210530653 814511913 /nfs/dbraw/zinc/51/19/13/814511913.db2.gz LQPOIBNZIOZVNI-UHFFFAOYSA-N 1 2 251.289 3.280 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3ccc(C#N)c(C)c3)nn2)c1C ZINC001242766717 823126317 /nfs/dbraw/zinc/12/63/17/823126317.db2.gz LZRTXJBAXJAYMN-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C#C[C@H](Oc1ccc2[nH]c(C)[nH+]c2c1)c1ccncc1 ZINC001228329868 817879734 /nfs/dbraw/zinc/87/97/34/817879734.db2.gz RQJSQIUBSMDTHA-INIZCTEOSA-N 1 2 263.300 3.020 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1Cl ZINC001231420646 818093386 /nfs/dbraw/zinc/09/33/86/818093386.db2.gz CAXARLIJLQITOW-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1Cl ZINC001231420646 818093389 /nfs/dbraw/zinc/09/33/89/818093389.db2.gz CAXARLIJLQITOW-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO COc1cc(F)ccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001231599951 818135301 /nfs/dbraw/zinc/13/53/01/818135301.db2.gz DZAUGQMXRLALGR-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(F)ccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001231599951 818135305 /nfs/dbraw/zinc/13/53/05/818135305.db2.gz DZAUGQMXRLALGR-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)c(O)c1 ZINC001233383880 818606722 /nfs/dbraw/zinc/60/67/22/818606722.db2.gz ZRDAHPVOYCGSCO-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)c(O)c1 ZINC001233383880 818606728 /nfs/dbraw/zinc/60/67/28/818606728.db2.gz ZRDAHPVOYCGSCO-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)c(O)c1 ZINC001233386619 818607459 /nfs/dbraw/zinc/60/74/59/818607459.db2.gz AXNMVXSBQRIWSS-UHFFFAOYSA-N 1 2 284.746 3.433 20 30 CGEDLO N#Cc1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)c(O)c1 ZINC001233386619 818607462 /nfs/dbraw/zinc/60/74/62/818607462.db2.gz AXNMVXSBQRIWSS-UHFFFAOYSA-N 1 2 284.746 3.433 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(F)c(F)c(F)c2F)CC1 ZINC001235348940 819076222 /nfs/dbraw/zinc/07/62/22/819076222.db2.gz KTVCHEWVYMAYAQ-UHFFFAOYSA-N 1 2 271.257 3.088 20 30 CGEDLO N#CCc1ccccc1C[NH+]1CC(OCc2ccccc2)C1 ZINC001235523752 819115105 /nfs/dbraw/zinc/11/51/05/819115105.db2.gz UCBPXFLYTGGPQY-UHFFFAOYSA-N 1 2 292.382 3.154 20 30 CGEDLO C[C@@]1(CF)CC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650602 819130137 /nfs/dbraw/zinc/13/01/37/819130137.db2.gz GULLWJIKTLVFSE-AWEZNQCLSA-N 1 2 268.282 3.018 20 30 CGEDLO C[C@@]1(CF)CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650602 819130140 /nfs/dbraw/zinc/13/01/40/819130140.db2.gz GULLWJIKTLVFSE-AWEZNQCLSA-N 1 2 268.282 3.018 20 30 CGEDLO COc1ccc(C#N)cc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001236541085 819528795 /nfs/dbraw/zinc/52/87/95/819528795.db2.gz TWCNZSAQXZJDMC-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO N#C[C@@H]1CCCN1Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236912657 819636868 /nfs/dbraw/zinc/63/68/68/819636868.db2.gz CXHMPFGXJRVECC-AWEZNQCLSA-N 1 2 286.766 3.014 20 30 CGEDLO C=CCN1CC[NH+](Cc2ccccc2OC(C)(C)C)CC1 ZINC001237025297 819646291 /nfs/dbraw/zinc/64/62/91/819646291.db2.gz ICTQUCHBINIVHJ-UHFFFAOYSA-N 1 2 288.435 3.168 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237130238 819675107 /nfs/dbraw/zinc/67/51/07/819675107.db2.gz LOUSHIUQJUKTHZ-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)CC1OC=CC1=S ZINC001237182081 819689376 /nfs/dbraw/zinc/68/93/76/819689376.db2.gz MEHBIZCOKODJMI-UHFFFAOYSA-N 1 2 272.373 3.484 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)CC1OC=CC1=S ZINC001237182081 819689380 /nfs/dbraw/zinc/68/93/80/819689380.db2.gz MEHBIZCOKODJMI-UHFFFAOYSA-N 1 2 272.373 3.484 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1cc(C#N)c(F)cc1F ZINC001237533838 819773799 /nfs/dbraw/zinc/77/37/99/819773799.db2.gz LNPUPIQEDBHVEM-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1cc(C#N)c(F)cc1F ZINC001237533838 819773802 /nfs/dbraw/zinc/77/38/02/819773802.db2.gz LNPUPIQEDBHVEM-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CCc1ncc(C[N@H+](CCC#N)C2CCCC2)s1 ZINC001237824159 819853559 /nfs/dbraw/zinc/85/35/59/819853559.db2.gz IGBKMLRWOZEGIY-UHFFFAOYSA-N 1 2 263.410 3.364 20 30 CGEDLO CCc1ncc(C[N@@H+](CCC#N)C2CCCC2)s1 ZINC001237824159 819853568 /nfs/dbraw/zinc/85/35/68/819853568.db2.gz IGBKMLRWOZEGIY-UHFFFAOYSA-N 1 2 263.410 3.364 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1C ZINC001238070275 819924914 /nfs/dbraw/zinc/92/49/14/819924914.db2.gz IDKYHIXSSPDEFM-HNNXBMFYSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1C ZINC001238070275 819924918 /nfs/dbraw/zinc/92/49/18/819924918.db2.gz IDKYHIXSSPDEFM-HNNXBMFYSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cnc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)c1 ZINC001238487997 820024515 /nfs/dbraw/zinc/02/45/15/820024515.db2.gz TWYJMNDUMDXXJF-CNDDSTCGSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)c1 ZINC001238487997 820024526 /nfs/dbraw/zinc/02/45/26/820024526.db2.gz TWYJMNDUMDXXJF-CNDDSTCGSA-N 1 2 291.782 3.010 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238518086 820035895 /nfs/dbraw/zinc/03/58/95/820035895.db2.gz XQOQMXKWLNRGGF-INIZCTEOSA-N 1 2 258.340 3.439 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238518086 820035903 /nfs/dbraw/zinc/03/59/03/820035903.db2.gz XQOQMXKWLNRGGF-INIZCTEOSA-N 1 2 258.340 3.439 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238653790 820070885 /nfs/dbraw/zinc/07/08/85/820070885.db2.gz PWVDNCKSTQMCBE-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238653790 820070893 /nfs/dbraw/zinc/07/08/93/820070893.db2.gz PWVDNCKSTQMCBE-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO Cc1ccc(C#N)c(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243658500 823477848 /nfs/dbraw/zinc/47/78/48/823477848.db2.gz YQYWPQUXGPQQBR-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)cc(CO)c2)cc1C#N ZINC001243693322 823488482 /nfs/dbraw/zinc/48/84/82/823488482.db2.gz AJHJPWUTDHNTIM-RGVLZGJSSA-N 1 2 297.333 3.078 20 30 CGEDLO Cc1cn2c(cccc2-c2ccc(C#N)c(F)c2)[nH+]1 ZINC001240150016 820858412 /nfs/dbraw/zinc/85/84/12/820858412.db2.gz OMTSLKZFEPOFEU-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#Cc1cc2ccccc2nc1-c1ccn2cc[nH+]c2c1 ZINC001240496694 821091330 /nfs/dbraw/zinc/09/13/30/821091330.db2.gz QNPAFHIMPBSJAB-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1cc2ccc(-c3cc[nH+]c(N)c3)cc2cc1C#N ZINC001241169616 821614314 /nfs/dbraw/zinc/61/43/14/821614314.db2.gz IEXZAAGQOCBMFW-UHFFFAOYSA-N 1 2 270.295 3.227 20 30 CGEDLO COc1cc(C#N)ccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001241401988 821799321 /nfs/dbraw/zinc/79/93/21/821799321.db2.gz DSPKIYUWTMBFQB-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO C=CCC1(COC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001345970520 936831704 /nfs/dbraw/zinc/83/17/04/936831704.db2.gz YVBSKRUEIIWIOH-ZDUSSCGKSA-N 1 2 262.353 3.124 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001348782806 936933822 /nfs/dbraw/zinc/93/38/22/936933822.db2.gz CETGRYHBCKZHBM-IAGOWNOFSA-N 1 2 295.386 3.016 20 30 CGEDLO C[C@H](CC(=O)Nc1ccc(C#N)cc1C1CC1)n1cc[nH+]c1 ZINC001349885447 936967440 /nfs/dbraw/zinc/96/74/40/936967440.db2.gz HCFWMALFVDECNM-GFCCVEGCSA-N 1 2 294.358 3.222 20 30 CGEDLO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC001353232447 937060709 /nfs/dbraw/zinc/06/07/09/937060709.db2.gz TWVXTSAHEYHTGW-KGLIPLIRSA-N 1 2 295.390 3.150 20 30 CGEDLO C#CC[N@@H+](Cc1nccc(Cl)c1Cl)CC1CC1 ZINC001459779323 937499844 /nfs/dbraw/zinc/49/98/44/937499844.db2.gz UTBONMGUFOAZOM-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C#CC[N@H+](Cc1nccc(Cl)c1Cl)CC1CC1 ZINC001459779323 937499845 /nfs/dbraw/zinc/49/98/45/937499845.db2.gz UTBONMGUFOAZOM-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO COCC[N@H+](CCC#N)[C@@H](C)c1nccc2ccccc21 ZINC001461896423 937604501 /nfs/dbraw/zinc/60/45/01/937604501.db2.gz JJFYBLCUAXUCHO-AWEZNQCLSA-N 1 2 283.375 3.158 20 30 CGEDLO COCC[N@@H+](CCC#N)[C@@H](C)c1nccc2ccccc21 ZINC001461896423 937604502 /nfs/dbraw/zinc/60/45/02/937604502.db2.gz JJFYBLCUAXUCHO-AWEZNQCLSA-N 1 2 283.375 3.158 20 30 CGEDLO CCC1=C(Oc2ccc(-c3c[nH+]cn3C)cc2)C(=O)[C@@H](C)O1 ZINC001231078291 932674308 /nfs/dbraw/zinc/67/43/08/932674308.db2.gz AOEQLBVJNYENIY-LLVKDONJSA-N 1 2 298.342 3.075 20 30 CGEDLO N#Cc1cnc2c(Cl)cccc2c1NCCn1cc[nH+]c1 ZINC001306912544 932894831 /nfs/dbraw/zinc/89/48/31/932894831.db2.gz KAUOPNLFYCZQLE-UHFFFAOYSA-N 1 2 297.749 3.068 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3nc(C#N)c(Cl)s3)ccc21 ZINC001306984103 932903871 /nfs/dbraw/zinc/90/38/71/932903871.db2.gz GCNCWWOBUSPDOD-UHFFFAOYSA-N 1 2 289.751 3.298 20 30 CGEDLO C=C(C)C[C@H]([NH2+]CCc1ccc(C(C)C)cc1)C(=O)OC ZINC001462506005 937646068 /nfs/dbraw/zinc/64/60/68/937646068.db2.gz OITVHTCYCGBMGS-KRWDZBQOSA-N 1 2 289.419 3.450 20 30 CGEDLO C[C@H]([NH2+]Cc1c(F)cncc1F)c1cccc(C#N)c1 ZINC001308067112 933042754 /nfs/dbraw/zinc/04/27/54/933042754.db2.gz ZGQXDPUVIWFTKE-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc(C#N)s2)[nH+]c1C ZINC001308071142 933044974 /nfs/dbraw/zinc/04/49/74/933044974.db2.gz PSGZSXQHJRYSAH-AWEZNQCLSA-N 1 2 286.404 3.297 20 30 CGEDLO C#CC[N@H+](Cc1noc2c1CC(C)(C)CC2)C(C)C ZINC001308096968 933048616 /nfs/dbraw/zinc/04/86/16/933048616.db2.gz ZGQNMBSLDFKTIR-UHFFFAOYSA-N 1 2 260.381 3.033 20 30 CGEDLO C#CC[N@@H+](Cc1noc2c1CC(C)(C)CC2)C(C)C ZINC001308096968 933048621 /nfs/dbraw/zinc/04/86/21/933048621.db2.gz ZGQNMBSLDFKTIR-UHFFFAOYSA-N 1 2 260.381 3.033 20 30 CGEDLO CN(C)c1nc(Cl)c(C[NH2+]CC2(C#N)CCCC2)s1 ZINC001308846291 933189089 /nfs/dbraw/zinc/18/90/89/933189089.db2.gz QOZSHTDXXSZPIW-UHFFFAOYSA-N 1 2 298.843 3.036 20 30 CGEDLO CC#CC[N@H+](C)Cc1sc(C)cc1Br ZINC001308965912 933214534 /nfs/dbraw/zinc/21/45/34/933214534.db2.gz XYNHSIASUALOPY-UHFFFAOYSA-N 1 2 272.211 3.274 20 30 CGEDLO CC#CC[N@@H+](C)Cc1sc(C)cc1Br ZINC001308965912 933214540 /nfs/dbraw/zinc/21/45/40/933214540.db2.gz XYNHSIASUALOPY-UHFFFAOYSA-N 1 2 272.211 3.274 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001318052346 933679222 /nfs/dbraw/zinc/67/92/22/933679222.db2.gz ZVPHMVSRXQNERN-CQSZACIVSA-N 1 2 286.419 3.150 20 30 CGEDLO C=C[C@H](COC)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC001320303903 934028197 /nfs/dbraw/zinc/02/81/97/934028197.db2.gz TYGSNUQUGXUDMC-GHMZBOCLSA-N 1 2 254.399 3.118 20 30 CGEDLO CC(=NOC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320326030 934032013 /nfs/dbraw/zinc/03/20/13/934032013.db2.gz VUBQUTXGQIGPFN-UHFFFAOYSA-N 1 2 257.337 3.411 20 30 CGEDLO CC(C)c1ocnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC001321744152 934208193 /nfs/dbraw/zinc/20/81/93/934208193.db2.gz WLPDHQWDEGFLAI-UHFFFAOYSA-N 1 2 281.359 3.449 20 30 CGEDLO C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533229 937777071 /nfs/dbraw/zinc/77/70/71/937777071.db2.gz WJRXEJSWKKOBON-CQSZACIVSA-N 1 2 295.386 3.099 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(C#N)cc1F ZINC001324707545 934553047 /nfs/dbraw/zinc/55/30/47/934553047.db2.gz QFNOGBYSONBCTG-VURMDHGXSA-N 1 2 295.317 3.054 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cc2ccc(F)cc2)no1)C(C)C ZINC001473126449 937793603 /nfs/dbraw/zinc/79/36/03/937793603.db2.gz ONYPKSJPVSWZTE-UHFFFAOYSA-N 1 2 289.354 3.196 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cc2ccc(F)cc2)no1)C(C)C ZINC001473126449 937793604 /nfs/dbraw/zinc/79/36/04/937793604.db2.gz ONYPKSJPVSWZTE-UHFFFAOYSA-N 1 2 289.354 3.196 20 30 CGEDLO C[C@H](N[NH+]=Cc1c(Cl)cccc1N(C)C)C(F)(F)F ZINC001330719533 935316818 /nfs/dbraw/zinc/31/68/18/935316818.db2.gz DGZBDZTYNGTQJV-QMMMGPOBSA-N 1 2 293.720 3.280 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)/C=C(\C)C1CC1)C(C)C ZINC001332689686 935480648 /nfs/dbraw/zinc/48/06/48/935480648.db2.gz WKUVUMITQGRTSS-JLHYYAGUSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)/C=C(\C)C1CC1)C(C)C ZINC001332689686 935480650 /nfs/dbraw/zinc/48/06/50/935480650.db2.gz WKUVUMITQGRTSS-JLHYYAGUSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CCC(C)C)C(C)C ZINC001332689183 935480925 /nfs/dbraw/zinc/48/09/25/935480925.db2.gz PAOCGWSGLRKMDQ-UHFFFAOYSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CCC(C)C)C(C)C ZINC001332689183 935480930 /nfs/dbraw/zinc/48/09/30/935480930.db2.gz PAOCGWSGLRKMDQ-UHFFFAOYSA-N 1 2 288.863 3.344 20 30 CGEDLO CCCn1c[nH+]cc1CNc1cccc(C#N)c1C ZINC001474163636 937842480 /nfs/dbraw/zinc/84/24/80/937842480.db2.gz AUHPQJKCPYRIBY-UHFFFAOYSA-N 1 2 254.337 3.085 20 30 CGEDLO C#Cc1ccc(CNc2[nH]c3cccc(OC)c3[nH+]2)cc1 ZINC001474254332 937846851 /nfs/dbraw/zinc/84/68/51/937846851.db2.gz NUHJFXVTOJWMMI-UHFFFAOYSA-N 1 2 277.327 3.165 20 30 CGEDLO C=C(C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001478675527 937908893 /nfs/dbraw/zinc/90/88/93/937908893.db2.gz XQHGMKPDALLLTQ-AWEZNQCLSA-N 1 2 298.390 3.199 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)C(C)(C)C)C1CC1 ZINC001493381545 937950284 /nfs/dbraw/zinc/95/02/84/937950284.db2.gz GIZFJMOLPRVZGT-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)C(C)(C)C)C1CC1 ZINC001493381545 937950286 /nfs/dbraw/zinc/95/02/86/937950286.db2.gz GIZFJMOLPRVZGT-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CC[C@@H](C)CC)cc2C1 ZINC001502653323 937982983 /nfs/dbraw/zinc/98/29/83/937982983.db2.gz ZHMUXEZKCOTFBA-HNNXBMFYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H](C)CC)cc2C1 ZINC001502653323 937982984 /nfs/dbraw/zinc/98/29/84/937982984.db2.gz ZHMUXEZKCOTFBA-HNNXBMFYSA-N 1 2 298.430 3.078 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001506036680 937989086 /nfs/dbraw/zinc/98/90/86/937989086.db2.gz PUSOZEJVLUAUGQ-TZMCWYRMSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001506036680 937989087 /nfs/dbraw/zinc/98/90/87/937989087.db2.gz PUSOZEJVLUAUGQ-TZMCWYRMSA-N 1 2 288.863 3.248 20 30 CGEDLO CCc1ccc(N(C)Cc2cc(C#N)cs2)[nH+]c1 ZINC001516032020 938008052 /nfs/dbraw/zinc/00/80/52/938008052.db2.gz UMTGEXFOCNUBDG-UHFFFAOYSA-N 1 2 257.362 3.214 20 30 CGEDLO C=C(Cl)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001559949345 938239543 /nfs/dbraw/zinc/23/95/43/938239543.db2.gz WVTNKDOACOPANI-UHFFFAOYSA-N 1 2 275.682 3.192 20 30 CGEDLO C=C(Cl)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001559949345 938239544 /nfs/dbraw/zinc/23/95/44/938239544.db2.gz WVTNKDOACOPANI-UHFFFAOYSA-N 1 2 275.682 3.192 20 30 CGEDLO C=C(Br)C[NH2+]Cc1c(Cl)cncc1Cl ZINC001560320507 938252736 /nfs/dbraw/zinc/25/27/36/938252736.db2.gz DEKIMNPQLDYTQV-UHFFFAOYSA-N 1 2 295.995 3.387 20 30 CGEDLO C=CC[N@H+](Cc1cn(C2CC2)cn1)Cc1ccc(OC)cc1 ZINC001560646416 938267563 /nfs/dbraw/zinc/26/75/63/938267563.db2.gz WRUYLCUXOHKBFF-UHFFFAOYSA-N 1 2 297.402 3.415 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C2CC2)cn1)Cc1ccc(OC)cc1 ZINC001560646416 938267564 /nfs/dbraw/zinc/26/75/64/938267564.db2.gz WRUYLCUXOHKBFF-UHFFFAOYSA-N 1 2 297.402 3.415 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001560967480 938287211 /nfs/dbraw/zinc/28/72/11/938287211.db2.gz INLFKEINPFRYSA-NWDGAFQWSA-N 1 2 273.804 3.229 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC001569123452 961698097 /nfs/dbraw/zinc/69/80/97/961698097.db2.gz WHHTVBOJYWCWOV-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC001569123452 961698105 /nfs/dbraw/zinc/69/81/05/961698105.db2.gz WHHTVBOJYWCWOV-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726537 962060500 /nfs/dbraw/zinc/06/05/00/962060500.db2.gz UFUHVLLOMXMDEL-XQLPTFJDSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726537 962060517 /nfs/dbraw/zinc/06/05/17/962060517.db2.gz UFUHVLLOMXMDEL-XQLPTFJDSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726535 962066304 /nfs/dbraw/zinc/06/63/04/962066304.db2.gz UFUHVLLOMXMDEL-APIJFGDWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726535 962066325 /nfs/dbraw/zinc/06/63/25/962066325.db2.gz UFUHVLLOMXMDEL-APIJFGDWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc2cnccc2c1)C(=O)OCC ZINC000590661504 346860582 /nfs/dbraw/zinc/86/05/82/346860582.db2.gz DNHBQGJHWOPJQR-KRWDZBQOSA-N 1 2 298.386 3.222 20 30 CGEDLO CCc1ccc2[nH+]ccc(N3CC[C@](F)(C#N)C3)c2c1 ZINC000590698801 346865091 /nfs/dbraw/zinc/86/50/91/346865091.db2.gz WOPQQRPGADTBPZ-INIZCTEOSA-N 1 2 269.323 3.239 20 30 CGEDLO Cc1cc(CNc2nc3c(cc2C#N)CCC3)cc(C)[nH+]1 ZINC000591462609 346925011 /nfs/dbraw/zinc/92/50/11/346925011.db2.gz KBZRRWCXNTWBRK-UHFFFAOYSA-N 1 2 278.359 3.066 20 30 CGEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000350998319 219073177 /nfs/dbraw/zinc/07/31/77/219073177.db2.gz WJEOMEOFOMEVHM-ZDUSSCGKSA-N 1 2 297.171 3.255 20 30 CGEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000350998319 219073178 /nfs/dbraw/zinc/07/31/78/219073178.db2.gz WJEOMEOFOMEVHM-ZDUSSCGKSA-N 1 2 297.171 3.255 20 30 CGEDLO CC[N@H+](Cc1ccncc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000592063892 346957950 /nfs/dbraw/zinc/95/79/50/346957950.db2.gz LQQAZTURULQUID-AWEZNQCLSA-N 1 2 290.370 3.408 20 30 CGEDLO CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000592063892 346957953 /nfs/dbraw/zinc/95/79/53/346957953.db2.gz LQQAZTURULQUID-AWEZNQCLSA-N 1 2 290.370 3.408 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CC2(CCCC2)O1 ZINC000592194452 346971281 /nfs/dbraw/zinc/97/12/81/346971281.db2.gz PARQZBDTPSVUNU-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC2(CCCC2)O1 ZINC000592194452 346971283 /nfs/dbraw/zinc/97/12/83/346971283.db2.gz PARQZBDTPSVUNU-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC2(CCCC2)O1 ZINC000592187153 346970628 /nfs/dbraw/zinc/97/06/28/346970628.db2.gz HONZFZOJSKICCP-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC2(CCCC2)O1 ZINC000592187153 346970629 /nfs/dbraw/zinc/97/06/29/346970629.db2.gz HONZFZOJSKICCP-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1csc(CNc2[nH]c3cccc(Cl)c3[nH+]2)c1 ZINC000351568322 219128448 /nfs/dbraw/zinc/12/84/48/219128448.db2.gz NMMSFUOPGFGWFL-UHFFFAOYSA-N 1 2 288.763 3.183 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000593058787 347033709 /nfs/dbraw/zinc/03/37/09/347033709.db2.gz OQKYKCXPZZBXAA-CYBMUJFWSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(F)c1C#N ZINC000593058787 347033713 /nfs/dbraw/zinc/03/37/13/347033713.db2.gz OQKYKCXPZZBXAA-CYBMUJFWSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)no1 ZINC000027882794 344912039 /nfs/dbraw/zinc/91/20/39/344912039.db2.gz XPIGBFXMCBTHRR-MRXNPFEDSA-N 1 2 267.332 3.192 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)no1 ZINC000027882794 344912042 /nfs/dbraw/zinc/91/20/42/344912042.db2.gz XPIGBFXMCBTHRR-MRXNPFEDSA-N 1 2 267.332 3.192 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052073783 345097887 /nfs/dbraw/zinc/09/78/87/345097887.db2.gz PSTGDSQKPMDCNR-AWEZNQCLSA-N 1 2 290.382 3.019 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052073783 345097888 /nfs/dbraw/zinc/09/78/88/345097888.db2.gz PSTGDSQKPMDCNR-AWEZNQCLSA-N 1 2 290.382 3.019 20 30 CGEDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000061001679 345225694 /nfs/dbraw/zinc/22/56/94/345225694.db2.gz DICOTXCFFDWGNP-UHFFFAOYSA-N 1 2 288.391 3.112 20 30 CGEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000061001679 345225696 /nfs/dbraw/zinc/22/56/96/345225696.db2.gz DICOTXCFFDWGNP-UHFFFAOYSA-N 1 2 288.391 3.112 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)Cc1cccc(C#N)c1 ZINC000063299720 345244650 /nfs/dbraw/zinc/24/46/50/345244650.db2.gz QCAZUDIHYQLUHG-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)Cc1cccc(C#N)c1 ZINC000063299720 345244652 /nfs/dbraw/zinc/24/46/52/345244652.db2.gz QCAZUDIHYQLUHG-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(CCC(C)C)no1 ZINC000064508203 345262389 /nfs/dbraw/zinc/26/23/89/345262389.db2.gz WYCMEXAFOCFXKM-UHFFFAOYSA-N 1 2 251.374 3.056 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(CCC(C)C)no1 ZINC000064508203 345262390 /nfs/dbraw/zinc/26/23/90/345262390.db2.gz WYCMEXAFOCFXKM-UHFFFAOYSA-N 1 2 251.374 3.056 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000064795276 345264637 /nfs/dbraw/zinc/26/46/37/345264637.db2.gz NPIJNNRVBLQDHC-AWEZNQCLSA-N 1 2 268.360 3.310 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000064795276 345264639 /nfs/dbraw/zinc/26/46/39/345264639.db2.gz NPIJNNRVBLQDHC-AWEZNQCLSA-N 1 2 268.360 3.310 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1Cl ZINC000068614303 345356804 /nfs/dbraw/zinc/35/68/04/345356804.db2.gz QWQJBIMREFLWDP-MRVPVSSYSA-N 1 2 287.588 3.494 20 30 CGEDLO C[C@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@H](C)S1 ZINC000075890932 345526748 /nfs/dbraw/zinc/52/67/48/345526748.db2.gz BFBMGCAXMCBBCG-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO CC[C@@H](OCCNc1cc(C)[nH+]cc1C#N)c1ccccc1 ZINC000593489915 347086743 /nfs/dbraw/zinc/08/67/43/347086743.db2.gz YHCUXSCKOJGPFL-GOSISDBHSA-N 1 2 295.386 3.263 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000081006569 345695153 /nfs/dbraw/zinc/69/51/53/345695153.db2.gz XFDDLKXSCZDTHS-SNVBAGLBSA-N 1 2 277.331 3.311 20 30 CGEDLO COCC[N@H+](CCC#N)CCc1ccc(C(C)C)cc1 ZINC000137589322 346094534 /nfs/dbraw/zinc/09/45/34/346094534.db2.gz YODSARDBWXGKRL-UHFFFAOYSA-N 1 2 274.408 3.215 20 30 CGEDLO COCC[N@@H+](CCC#N)CCc1ccc(C(C)C)cc1 ZINC000137589322 346094535 /nfs/dbraw/zinc/09/45/35/346094535.db2.gz YODSARDBWXGKRL-UHFFFAOYSA-N 1 2 274.408 3.215 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000292973689 346430716 /nfs/dbraw/zinc/43/07/16/346430716.db2.gz AUKZIDXAYFMFBB-HNNXBMFYSA-N 1 2 286.419 3.401 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000292973689 346430720 /nfs/dbraw/zinc/43/07/20/346430720.db2.gz AUKZIDXAYFMFBB-HNNXBMFYSA-N 1 2 286.419 3.401 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C(=O)OCC ZINC000562523115 346660092 /nfs/dbraw/zinc/66/00/92/346660092.db2.gz OFWMYXWMZCEAMA-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)s1 ZINC000588934263 346776718 /nfs/dbraw/zinc/77/67/18/346776718.db2.gz MUOSCRNWRWAQPO-UHFFFAOYSA-N 1 2 256.321 3.287 20 30 CGEDLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000593724622 347108161 /nfs/dbraw/zinc/10/81/61/347108161.db2.gz DDBUQQARPRQRHG-NSHDSACASA-N 1 2 285.322 3.412 20 30 CGEDLO COc1cc[nH+]cc1NCc1cccc(OCCCC#N)c1 ZINC000119196875 370653996 /nfs/dbraw/zinc/65/39/96/370653996.db2.gz VLDURNCJDPKWKN-UHFFFAOYSA-N 1 2 297.358 3.385 20 30 CGEDLO Cc1cc(-n2cccn2)ccc1[NH2+]CC1(CC#N)CC1 ZINC000594708300 347212148 /nfs/dbraw/zinc/21/21/48/347212148.db2.gz SDSYSZLMNLDVCX-UHFFFAOYSA-N 1 2 266.348 3.287 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1C ZINC000594610904 347203330 /nfs/dbraw/zinc/20/33/30/347203330.db2.gz HDWICBJSFKFSQW-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO CCCn1nc(C)c(C[N@H+]2Cc3ccc(C#N)cc3C2)c1C ZINC000594610904 347203332 /nfs/dbraw/zinc/20/33/32/347203332.db2.gz HDWICBJSFKFSQW-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000595708998 347344258 /nfs/dbraw/zinc/34/42/58/347344258.db2.gz BAJCIVACQCKWJT-UONOGXRCSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000595708998 347344259 /nfs/dbraw/zinc/34/42/59/347344259.db2.gz BAJCIVACQCKWJT-UONOGXRCSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000595708999 347344540 /nfs/dbraw/zinc/34/45/40/347344540.db2.gz BAJCIVACQCKWJT-ZIAGYGMSSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000595708999 347344542 /nfs/dbraw/zinc/34/45/42/347344542.db2.gz BAJCIVACQCKWJT-ZIAGYGMSSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839010 347364606 /nfs/dbraw/zinc/36/46/06/347364606.db2.gz GEGNAUUHIVXKON-HZMBPMFUSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839010 347364609 /nfs/dbraw/zinc/36/46/09/347364609.db2.gz GEGNAUUHIVXKON-HZMBPMFUSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000595842576 347366385 /nfs/dbraw/zinc/36/63/85/347366385.db2.gz SQRJQVXUJYICEP-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000595842576 347366388 /nfs/dbraw/zinc/36/63/88/347366388.db2.gz SQRJQVXUJYICEP-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO Cc1cc(N2CCC[C@H](C3CCC3)C2)c(C#N)c[nH+]1 ZINC000596528313 347474433 /nfs/dbraw/zinc/47/44/33/347474433.db2.gz XSYOJNFTARIZHV-AWEZNQCLSA-N 1 2 255.365 3.278 20 30 CGEDLO Cc1cc(N2CC[C@@](C)(C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000596529611 347474552 /nfs/dbraw/zinc/47/45/52/347474552.db2.gz GFTCSJPLKIOQDP-INIZCTEOSA-N 1 2 269.323 3.422 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1c(C2CC2)cnn1C ZINC000596995871 347525527 /nfs/dbraw/zinc/52/55/27/347525527.db2.gz NLVZBXYOPBZOJO-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1c(C2CC2)cnn1C ZINC000596995871 347525532 /nfs/dbraw/zinc/52/55/32/347525532.db2.gz NLVZBXYOPBZOJO-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000597130008 347538444 /nfs/dbraw/zinc/53/84/44/347538444.db2.gz OSVYFAKBISETRF-HNNXBMFYSA-N 1 2 288.391 3.002 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000597130008 347538446 /nfs/dbraw/zinc/53/84/46/347538446.db2.gz OSVYFAKBISETRF-HNNXBMFYSA-N 1 2 288.391 3.002 20 30 CGEDLO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000597215295 347556074 /nfs/dbraw/zinc/55/60/74/347556074.db2.gz SXWGNZMKYFSSDB-WWGRRREGSA-N 1 2 291.391 3.100 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229545 347558700 /nfs/dbraw/zinc/55/87/00/347558700.db2.gz CLAWKQHPTIZMQB-SFHVURJKSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229545 347558702 /nfs/dbraw/zinc/55/87/02/347558702.db2.gz CLAWKQHPTIZMQB-SFHVURJKSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1cc(CNC(=O)CC2(C#N)CCCCC2)cc(C)[nH+]1 ZINC000597788878 347592798 /nfs/dbraw/zinc/59/27/98/347592798.db2.gz XQLQKGZRPGGJNZ-UHFFFAOYSA-N 1 2 285.391 3.179 20 30 CGEDLO N#CCC1C[NH+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000597194696 347548826 /nfs/dbraw/zinc/54/88/26/347548826.db2.gz XQZCZJWEPAUSBT-UHFFFAOYSA-N 1 2 269.373 3.156 20 30 CGEDLO Cc1cn2ccc(NC(=O)CCCCCC#N)cc2[nH+]1 ZINC000598470319 347661194 /nfs/dbraw/zinc/66/11/94/347661194.db2.gz XHVFVIGLPQEDEC-UHFFFAOYSA-N 1 2 270.336 3.055 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ncc(C3CC3)o1)C2 ZINC000599676745 347764158 /nfs/dbraw/zinc/76/41/58/347764158.db2.gz FXOMFBLUOLWIPA-UHFFFAOYSA-N 1 2 293.370 3.176 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ncc(C3CC3)o1)C2 ZINC000599676745 347764160 /nfs/dbraw/zinc/76/41/60/347764160.db2.gz FXOMFBLUOLWIPA-UHFFFAOYSA-N 1 2 293.370 3.176 20 30 CGEDLO C[N@H+](CCOCCC#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599680359 347765130 /nfs/dbraw/zinc/76/51/30/347765130.db2.gz AYMIZTDRZWDBKO-HNNXBMFYSA-N 1 2 296.361 3.115 20 30 CGEDLO C[N@@H+](CCOCCC#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599680359 347765132 /nfs/dbraw/zinc/76/51/32/347765132.db2.gz AYMIZTDRZWDBKO-HNNXBMFYSA-N 1 2 296.361 3.115 20 30 CGEDLO CCC[N@H+](Cc1nc(C)c(C)[nH]1)Cc1ccc(C#N)cc1 ZINC000600106317 347779425 /nfs/dbraw/zinc/77/94/25/347779425.db2.gz DYIYQQZRTPQYKR-UHFFFAOYSA-N 1 2 282.391 3.310 20 30 CGEDLO CCC[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1ccc(C#N)cc1 ZINC000600106317 347779429 /nfs/dbraw/zinc/77/94/29/347779429.db2.gz DYIYQQZRTPQYKR-UHFFFAOYSA-N 1 2 282.391 3.310 20 30 CGEDLO CCCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccc(C#N)cc1 ZINC000600106317 347779430 /nfs/dbraw/zinc/77/94/30/347779430.db2.gz DYIYQQZRTPQYKR-UHFFFAOYSA-N 1 2 282.391 3.310 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600595949 347812419 /nfs/dbraw/zinc/81/24/19/347812419.db2.gz RSZNPIBKBZZPRS-CVEARBPZSA-N 1 2 293.382 3.244 20 30 CGEDLO N#CCC1C[NH+](Cc2ccsc2C(F)(F)F)C1 ZINC000600180249 347789655 /nfs/dbraw/zinc/78/96/55/347789655.db2.gz JIUYVDNJNKOSTJ-UHFFFAOYSA-N 1 2 260.284 3.112 20 30 CGEDLO COCCN(C)c1ccc(-c2ccc(C)cc2C#N)c[nH+]1 ZINC000600774471 347833187 /nfs/dbraw/zinc/83/31/87/347833187.db2.gz DJVIYDMFMHIUDG-UHFFFAOYSA-N 1 2 281.359 3.011 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)sn1 ZINC000602464060 347962177 /nfs/dbraw/zinc/96/21/77/347962177.db2.gz BEDDEWDCOFNQGC-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)sn1 ZINC000602464060 347962178 /nfs/dbraw/zinc/96/21/78/347962178.db2.gz BEDDEWDCOFNQGC-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccns1 ZINC000602481563 347965729 /nfs/dbraw/zinc/96/57/29/347965729.db2.gz GHPKFAPOQHEZFJ-JKSUJKDBSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccns1 ZINC000602481563 347965731 /nfs/dbraw/zinc/96/57/31/347965731.db2.gz GHPKFAPOQHEZFJ-JKSUJKDBSA-N 1 2 283.400 3.415 20 30 CGEDLO C[C@@H](CCC#N)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000602575285 347986500 /nfs/dbraw/zinc/98/65/00/347986500.db2.gz RYCZGUFIZBVYEW-ZDUSSCGKSA-N 1 2 258.369 3.034 20 30 CGEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)n2)cs1 ZINC000602616389 347994788 /nfs/dbraw/zinc/99/47/88/347994788.db2.gz NUNCCTYPYVROOW-OAHLLOKOSA-N 1 2 284.388 3.055 20 30 CGEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc(C#N)n2)cs1 ZINC000602616389 347994790 /nfs/dbraw/zinc/99/47/90/347994790.db2.gz NUNCCTYPYVROOW-OAHLLOKOSA-N 1 2 284.388 3.055 20 30 CGEDLO CC1(CC(F)F)C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602701879 348012825 /nfs/dbraw/zinc/01/28/25/348012825.db2.gz YKKLBNRBULSFIA-UHFFFAOYSA-N 1 2 268.282 3.174 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C(=O)OC ZINC000602735448 348021598 /nfs/dbraw/zinc/02/15/98/348021598.db2.gz XHPZCKBQUCPAFH-SEEARECTSA-N 1 2 291.366 3.169 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2cccc(OC)c2)n1 ZINC000602841595 348035799 /nfs/dbraw/zinc/03/57/99/348035799.db2.gz LVCBUOMEEGFEJQ-ZDUSSCGKSA-N 1 2 285.347 3.132 20 30 CGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[C@@H]1C#N ZINC000602979987 348050240 /nfs/dbraw/zinc/05/02/40/348050240.db2.gz KDRQCDZSNVUKPQ-MFKMUULPSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[C@@H]1C#N ZINC000602979987 348050242 /nfs/dbraw/zinc/05/02/42/348050242.db2.gz KDRQCDZSNVUKPQ-MFKMUULPSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981306 348050986 /nfs/dbraw/zinc/05/09/86/348050986.db2.gz BDRDAAFALXLBMT-CRAIPNDOSA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981306 348050988 /nfs/dbraw/zinc/05/09/88/348050988.db2.gz BDRDAAFALXLBMT-CRAIPNDOSA-N 1 2 292.386 3.268 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)C(C)(C)CO1 ZINC000609671940 348350809 /nfs/dbraw/zinc/35/08/09/348350809.db2.gz QMXIBNBZFMEMEK-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)C(C)(C)CO1 ZINC000609671940 348350812 /nfs/dbraw/zinc/35/08/12/348350812.db2.gz QMXIBNBZFMEMEK-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(C#N)c1 ZINC000611388483 348443756 /nfs/dbraw/zinc/44/37/56/348443756.db2.gz IPYFXGPLYQBENL-GFCCVEGCSA-N 1 2 281.359 3.276 20 30 CGEDLO Cc1ccc2c(c1)N(Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000611561115 348461036 /nfs/dbraw/zinc/46/10/36/348461036.db2.gz LTXJEYBDDKQIGY-UHFFFAOYSA-N 1 2 288.354 3.077 20 30 CGEDLO CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161890 348497707 /nfs/dbraw/zinc/49/77/07/348497707.db2.gz BPOFHXRSCURYDX-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161890 348497709 /nfs/dbraw/zinc/49/77/09/348497709.db2.gz BPOFHXRSCURYDX-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO C[C@]1(C#N)CCCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000612166350 348498937 /nfs/dbraw/zinc/49/89/37/348498937.db2.gz SGWVCMVYNJGDTK-GOSISDBHSA-N 1 2 294.402 3.057 20 30 CGEDLO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCN(CCC#N)CC1 ZINC000614177507 348654865 /nfs/dbraw/zinc/65/48/65/348654865.db2.gz VGVBBPTXAIFZKG-LBPRGKRZSA-N 1 2 295.789 3.071 20 30 CGEDLO C=C[C@@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000619704266 349277044 /nfs/dbraw/zinc/27/70/44/349277044.db2.gz ZZOQBARPSFTBDC-HZPDHXFCSA-N 1 2 289.350 3.079 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000619716855 349278026 /nfs/dbraw/zinc/27/80/26/349278026.db2.gz SWHUEBYCNSMUQJ-QGZVFWFLSA-N 1 2 283.371 3.389 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000619716855 349278030 /nfs/dbraw/zinc/27/80/30/349278030.db2.gz SWHUEBYCNSMUQJ-QGZVFWFLSA-N 1 2 283.371 3.389 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635875732 351698962 /nfs/dbraw/zinc/69/89/62/351698962.db2.gz OYCFBIUWSSFJEV-HZPDHXFCSA-N 1 2 295.386 3.118 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635875732 351698964 /nfs/dbraw/zinc/69/89/64/351698964.db2.gz OYCFBIUWSSFJEV-HZPDHXFCSA-N 1 2 295.386 3.118 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635552615 351668476 /nfs/dbraw/zinc/66/84/76/351668476.db2.gz SIVBNCOMFYEPDJ-UHFFFAOYSA-N 1 2 289.423 3.110 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334454389 283214458 /nfs/dbraw/zinc/21/44/58/283214458.db2.gz MYAPBHHVNDQCOG-ZWKOTPCHSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334454389 283214464 /nfs/dbraw/zinc/21/44/64/283214464.db2.gz MYAPBHHVNDQCOG-ZWKOTPCHSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000105857905 138353256 /nfs/dbraw/zinc/35/32/56/138353256.db2.gz JRRKUWNLCRXQNG-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000126297182 138385671 /nfs/dbraw/zinc/38/56/71/138385671.db2.gz ZCDOILLQNGNVLI-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000126297182 138385672 /nfs/dbraw/zinc/38/56/72/138385672.db2.gz ZCDOILLQNGNVLI-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)ccc1F ZINC000176904865 189013643 /nfs/dbraw/zinc/01/36/43/189013643.db2.gz OGXIISLRGCWWLE-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccc1F ZINC000176904865 189013644 /nfs/dbraw/zinc/01/36/44/189013644.db2.gz OGXIISLRGCWWLE-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000451814689 240364385 /nfs/dbraw/zinc/36/43/85/240364385.db2.gz LAUBYYCPDWXZOW-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCOCC12CCCCC2 ZINC000451814689 240364389 /nfs/dbraw/zinc/36/43/89/240364389.db2.gz LAUBYYCPDWXZOW-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccccc1C#N ZINC000179139184 189172228 /nfs/dbraw/zinc/17/22/28/189172228.db2.gz OHEXXDLMFMDJPA-ZDUSSCGKSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccccc1C#N ZINC000179139184 189172229 /nfs/dbraw/zinc/17/22/29/189172229.db2.gz OHEXXDLMFMDJPA-ZDUSSCGKSA-N 1 2 251.333 3.146 20 30 CGEDLO N#Cc1ccc(Cl)cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301652348 201116401 /nfs/dbraw/zinc/11/64/01/201116401.db2.gz SXFBNGYVEZXTAO-HNNXBMFYSA-N 1 2 299.761 3.264 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000184943856 189399197 /nfs/dbraw/zinc/39/91/97/189399197.db2.gz GLFHBTPQCDAFED-ZDUSSCGKSA-N 1 2 285.391 3.063 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451111189 240218950 /nfs/dbraw/zinc/21/89/50/240218950.db2.gz DQPOONYSTCMOLF-HNNXBMFYSA-N 1 2 298.308 3.484 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451111189 240218954 /nfs/dbraw/zinc/21/89/54/240218954.db2.gz DQPOONYSTCMOLF-HNNXBMFYSA-N 1 2 298.308 3.484 20 30 CGEDLO CCCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459297653 242059907 /nfs/dbraw/zinc/05/99/07/242059907.db2.gz JRBGCWBHQFIMNF-UHFFFAOYSA-N 1 2 273.336 3.231 20 30 CGEDLO CCCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459297653 242059908 /nfs/dbraw/zinc/05/99/08/242059908.db2.gz JRBGCWBHQFIMNF-UHFFFAOYSA-N 1 2 273.336 3.231 20 30 CGEDLO N#Cc1cccc(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000036982157 369045342 /nfs/dbraw/zinc/04/53/42/369045342.db2.gz XKXFVLJOHHLDON-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO N#Cc1ccsc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000052031411 369461368 /nfs/dbraw/zinc/46/13/68/369461368.db2.gz ABWZEUKGAZIIBR-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO CCCOc1cc(C[N@H+](CC)CCC#N)ccc1OC ZINC000127655457 370955106 /nfs/dbraw/zinc/95/51/06/370955106.db2.gz TVJDMQJECCNXNI-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCCOc1cc(C[N@@H+](CC)CCC#N)ccc1OC ZINC000127655457 370955112 /nfs/dbraw/zinc/95/51/12/370955112.db2.gz TVJDMQJECCNXNI-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000054174586 369497036 /nfs/dbraw/zinc/49/70/36/369497036.db2.gz CTTATQWYUQZPIK-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000054174586 369497042 /nfs/dbraw/zinc/49/70/42/369497042.db2.gz CTTATQWYUQZPIK-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066847420 369707226 /nfs/dbraw/zinc/70/72/26/369707226.db2.gz COPVCBMTCAVTOH-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066847420 369707229 /nfs/dbraw/zinc/70/72/29/369707229.db2.gz COPVCBMTCAVTOH-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066846539 369707366 /nfs/dbraw/zinc/70/73/66/369707366.db2.gz PPASJCJJUUXNLF-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000066846539 369707368 /nfs/dbraw/zinc/70/73/68/369707368.db2.gz PPASJCJJUUXNLF-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066849526 369707519 /nfs/dbraw/zinc/70/75/19/369707519.db2.gz ICMWLYOGQRQQIC-HNNXBMFYSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066849526 369707522 /nfs/dbraw/zinc/70/75/22/369707522.db2.gz ICMWLYOGQRQQIC-HNNXBMFYSA-N 1 2 280.318 3.032 20 30 CGEDLO C=CCN(Cc1c[nH+]c2ccc(C)cn12)CC(F)(F)F ZINC000092472038 370098634 /nfs/dbraw/zinc/09/86/34/370098634.db2.gz YSZOURMYYRLNDO-UHFFFAOYSA-N 1 2 283.297 3.193 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000093100827 370109894 /nfs/dbraw/zinc/10/98/94/370109894.db2.gz IYWVZSDZPKUEFN-UHFFFAOYSA-N 1 2 274.364 3.177 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000093100827 370109898 /nfs/dbraw/zinc/10/98/98/370109898.db2.gz IYWVZSDZPKUEFN-UHFFFAOYSA-N 1 2 274.364 3.177 20 30 CGEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCC#N ZINC000111309770 370396642 /nfs/dbraw/zinc/39/66/42/370396642.db2.gz RDBDNKYFJAUXAN-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCC#N ZINC000111309770 370396646 /nfs/dbraw/zinc/39/66/46/370396646.db2.gz RDBDNKYFJAUXAN-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCC[C@@H](SC)C2)c1O ZINC000117107634 370578106 /nfs/dbraw/zinc/57/81/06/370578106.db2.gz GQWRYGMQFZXRJA-HBWTURNESA-N 1 2 279.405 3.494 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000132266354 371162587 /nfs/dbraw/zinc/16/25/87/371162587.db2.gz JYQICMKDIYYMSW-LBPRGKRZSA-N 1 2 288.782 3.260 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000132266354 371162591 /nfs/dbraw/zinc/16/25/91/371162591.db2.gz JYQICMKDIYYMSW-LBPRGKRZSA-N 1 2 288.782 3.260 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132493509 371179147 /nfs/dbraw/zinc/17/91/47/371179147.db2.gz AIMPLSLZYJMQND-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000132493509 371179151 /nfs/dbraw/zinc/17/91/51/371179151.db2.gz AIMPLSLZYJMQND-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367566 372154398 /nfs/dbraw/zinc/15/43/98/372154398.db2.gz XRDXAYKPBMEFNH-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367566 372154401 /nfs/dbraw/zinc/15/44/01/372154401.db2.gz XRDXAYKPBMEFNH-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccoc1 ZINC000426407915 372157929 /nfs/dbraw/zinc/15/79/29/372157929.db2.gz YBXORTZABBVNBF-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccoc1 ZINC000426407915 372157935 /nfs/dbraw/zinc/15/79/35/372157935.db2.gz YBXORTZABBVNBF-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428447919 372202484 /nfs/dbraw/zinc/20/24/84/372202484.db2.gz PUKMTOOYXHIUME-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428447919 372202490 /nfs/dbraw/zinc/20/24/90/372202490.db2.gz PUKMTOOYXHIUME-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000171374096 372746114 /nfs/dbraw/zinc/74/61/14/372746114.db2.gz QUXLXYBVUSPRBP-KRWDZBQOSA-N 1 2 283.350 3.373 20 30 CGEDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000171374096 372746120 /nfs/dbraw/zinc/74/61/20/372746120.db2.gz QUXLXYBVUSPRBP-KRWDZBQOSA-N 1 2 283.350 3.373 20 30 CGEDLO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+](CC#N)C2CC2)C1 ZINC000437689651 372854607 /nfs/dbraw/zinc/85/46/07/372854607.db2.gz UEZWFBKGIHKELH-IAGOWNOFSA-N 1 2 254.377 3.485 20 30 CGEDLO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+](CC#N)C2CC2)C1 ZINC000437689651 372854615 /nfs/dbraw/zinc/85/46/15/372854615.db2.gz UEZWFBKGIHKELH-IAGOWNOFSA-N 1 2 254.377 3.485 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C#N)o3)co2)cc1 ZINC000344734566 217291622 /nfs/dbraw/zinc/29/16/22/217291622.db2.gz YHBDEHKLVFFHFJ-UHFFFAOYSA-N 1 2 293.326 3.405 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(CC(C)C)C(C)C ZINC000444232157 373176295 /nfs/dbraw/zinc/17/62/95/373176295.db2.gz NTUKVKPMVMGGPY-UHFFFAOYSA-N 1 2 295.471 3.141 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(CC(C)C)C(C)C ZINC000444232157 373176310 /nfs/dbraw/zinc/17/63/10/373176310.db2.gz NTUKVKPMVMGGPY-UHFFFAOYSA-N 1 2 295.471 3.141 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)o1 ZINC000174345682 373297518 /nfs/dbraw/zinc/29/75/18/373297518.db2.gz IYXGNBYLTXZNQZ-SFHVURJKSA-N 1 2 289.338 3.425 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@H](C)[C@H](C)O1 ZINC000446076924 373319089 /nfs/dbraw/zinc/31/90/89/373319089.db2.gz INKGHXOFDRFOPG-MCIONIFRSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C)[C@H](C)O1 ZINC000446076924 373319094 /nfs/dbraw/zinc/31/90/94/373319094.db2.gz INKGHXOFDRFOPG-MCIONIFRSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446830746 373368127 /nfs/dbraw/zinc/36/81/27/373368127.db2.gz WPFAYMGNOURHCA-LBPRGKRZSA-N 1 2 296.292 3.028 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446830746 373368134 /nfs/dbraw/zinc/36/81/34/373368134.db2.gz WPFAYMGNOURHCA-LBPRGKRZSA-N 1 2 296.292 3.028 20 30 CGEDLO CCC[N@H+](Cc1cscn1)Cc1ccc(C#N)cc1 ZINC000298685802 373381994 /nfs/dbraw/zinc/38/19/94/373381994.db2.gz BQCPOWSJRDGQNJ-UHFFFAOYSA-N 1 2 271.389 3.427 20 30 CGEDLO CCC[N@@H+](Cc1cscn1)Cc1ccc(C#N)cc1 ZINC000298685802 373382000 /nfs/dbraw/zinc/38/20/00/373382000.db2.gz BQCPOWSJRDGQNJ-UHFFFAOYSA-N 1 2 271.389 3.427 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3ccc(F)cc3C#N)cn21 ZINC000301405196 373772568 /nfs/dbraw/zinc/77/25/68/373772568.db2.gz TYPDBRFXWCJLEF-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO N#CCc1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000449691438 373841869 /nfs/dbraw/zinc/84/18/69/373841869.db2.gz WGEKFFMZIQWXSI-UHFFFAOYSA-N 1 2 294.280 3.124 20 30 CGEDLO Cc1cccc(C[N@H+](CCC#N)Cc2ccccn2)c1O ZINC000180058720 373962008 /nfs/dbraw/zinc/96/20/08/373962008.db2.gz CSELDCFULNTTOR-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO Cc1cccc(C[N@@H+](CCC#N)Cc2ccccn2)c1O ZINC000180058720 373962016 /nfs/dbraw/zinc/96/20/16/373962016.db2.gz CSELDCFULNTTOR-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO C=CCSCC/[NH+]=C/c1cc(OCC)ccc1O ZINC000180199499 373976554 /nfs/dbraw/zinc/97/65/54/373976554.db2.gz WGTRMPJAICMDAB-RVDMUPIBSA-N 1 2 265.378 3.129 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@H+](CC#N)C1CCCC1 ZINC000450421869 374116046 /nfs/dbraw/zinc/11/60/46/374116046.db2.gz FTBXXRLGHIYVJR-KRWDZBQOSA-N 1 2 272.392 3.012 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@@H+](CC#N)C1CCCC1 ZINC000450421869 374116051 /nfs/dbraw/zinc/11/60/51/374116051.db2.gz FTBXXRLGHIYVJR-KRWDZBQOSA-N 1 2 272.392 3.012 20 30 CGEDLO Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1F ZINC000181128716 374084643 /nfs/dbraw/zinc/08/46/43/374084643.db2.gz VPABMHQTTZFAOS-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1Cl ZINC000450487135 374155836 /nfs/dbraw/zinc/15/58/36/374155836.db2.gz UJLGJSWRGBSOLC-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1Cl ZINC000450487135 374155842 /nfs/dbraw/zinc/15/58/42/374155842.db2.gz UJLGJSWRGBSOLC-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1OC1CC1)C1CC1 ZINC000450608977 374165551 /nfs/dbraw/zinc/16/55/51/374165551.db2.gz CTGTZLIIOHKBJR-CYBMUJFWSA-N 1 2 270.376 3.352 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1OC1CC1)C1CC1 ZINC000450608977 374165553 /nfs/dbraw/zinc/16/55/53/374165553.db2.gz CTGTZLIIOHKBJR-CYBMUJFWSA-N 1 2 270.376 3.352 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccc(Cl)s2)n1 ZINC000309558779 374188373 /nfs/dbraw/zinc/18/83/73/374188373.db2.gz IPESMMVMDOXSSW-UHFFFAOYSA-N 1 2 269.782 3.019 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1ccccc1C#N)C2 ZINC000182678784 374310454 /nfs/dbraw/zinc/31/04/54/374310454.db2.gz FSNYKXUKIKCCTF-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000182678784 374310461 /nfs/dbraw/zinc/31/04/61/374310461.db2.gz FSNYKXUKIKCCTF-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330668434 374488912 /nfs/dbraw/zinc/48/89/12/374488912.db2.gz JTJMUTRCYXRJME-KBPBESRZSA-N 1 2 290.411 3.248 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000186009218 374785462 /nfs/dbraw/zinc/78/54/62/374785462.db2.gz QGLPMUIUZKOAHR-QWHCGFSZSA-N 1 2 261.369 3.066 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186485280 374861406 /nfs/dbraw/zinc/86/14/06/374861406.db2.gz QXEBXMJWVZFJDX-UHFFFAOYSA-N 1 2 287.737 3.001 20 30 CGEDLO C[C@@H]([NH2+]CCCCC#N)c1ccc(F)c(F)c1O ZINC000187697363 375075113 /nfs/dbraw/zinc/07/51/13/375075113.db2.gz GOAKZMFPROAZGT-SECBINFHSA-N 1 2 254.280 3.015 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000484064474 375185136 /nfs/dbraw/zinc/18/51/36/375185136.db2.gz IOHXFBXKTNDQTM-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000484064474 375185142 /nfs/dbraw/zinc/18/51/42/375185142.db2.gz IOHXFBXKTNDQTM-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000335166955 375194187 /nfs/dbraw/zinc/19/41/87/375194187.db2.gz HSMSCGHDBLELNA-LBPRGKRZSA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000335166955 375194192 /nfs/dbraw/zinc/19/41/92/375194192.db2.gz HSMSCGHDBLELNA-LBPRGKRZSA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)s1 ZINC000487301225 375223419 /nfs/dbraw/zinc/22/34/19/375223419.db2.gz XRVKFQAONRQEGO-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)C1CC1 ZINC000487924433 375284159 /nfs/dbraw/zinc/28/41/59/375284159.db2.gz XCZSWMWBJGRWQZ-UHFFFAOYSA-N 1 2 289.329 3.301 20 30 CGEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)C1CC1 ZINC000487924433 375284168 /nfs/dbraw/zinc/28/41/68/375284168.db2.gz XCZSWMWBJGRWQZ-UHFFFAOYSA-N 1 2 289.329 3.301 20 30 CGEDLO C=CC[N@@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000189078980 375319657 /nfs/dbraw/zinc/31/96/57/375319657.db2.gz PWKVSQTZEKCTPR-UHFFFAOYSA-N 1 2 272.348 3.358 20 30 CGEDLO C=CC[N@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000189078980 375319662 /nfs/dbraw/zinc/31/96/62/375319662.db2.gz PWKVSQTZEKCTPR-UHFFFAOYSA-N 1 2 272.348 3.358 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379443 375266888 /nfs/dbraw/zinc/26/68/88/375266888.db2.gz JCIXFWZCMNAPSU-KOLCDFICSA-N 1 2 266.797 3.452 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379443 375266897 /nfs/dbraw/zinc/26/68/97/375266897.db2.gz JCIXFWZCMNAPSU-KOLCDFICSA-N 1 2 266.797 3.452 20 30 CGEDLO N#Cc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000335694066 375352774 /nfs/dbraw/zinc/35/27/74/375352774.db2.gz FZVNXHGMRJTNPV-OAHLLOKOSA-N 1 2 284.338 3.148 20 30 CGEDLO CC(C)C[C@H](C[N@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746118 375553327 /nfs/dbraw/zinc/55/33/27/375553327.db2.gz ROZCHEQJSLWHSD-ZIAGYGMSSA-N 1 2 297.443 3.017 20 30 CGEDLO CC(C)C[C@H](C[N@@H+](C)C[C@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746118 375553335 /nfs/dbraw/zinc/55/33/35/375553335.db2.gz ROZCHEQJSLWHSD-ZIAGYGMSSA-N 1 2 297.443 3.017 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000191084964 375573554 /nfs/dbraw/zinc/57/35/54/375573554.db2.gz OQFITTAADPGNMO-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000191084964 375573557 /nfs/dbraw/zinc/57/35/57/375573557.db2.gz OQFITTAADPGNMO-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc(C(C)(C)C)cs1 ZINC000191098929 375575206 /nfs/dbraw/zinc/57/52/06/375575206.db2.gz GWPTZUFYFMJRCM-UHFFFAOYSA-N 1 2 268.426 3.075 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc(C(C)(C)C)cs1 ZINC000191098929 375575213 /nfs/dbraw/zinc/57/52/13/375575213.db2.gz GWPTZUFYFMJRCM-UHFFFAOYSA-N 1 2 268.426 3.075 20 30 CGEDLO N#CCC[N@H+](Cc1cccnc1)Cc1cccc2cc[nH]c21 ZINC000505907049 375663825 /nfs/dbraw/zinc/66/38/25/375663825.db2.gz ISTMXPVXFUNTER-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnc1)Cc1cccc2cc[nH]c21 ZINC000505907049 375663830 /nfs/dbraw/zinc/66/38/30/375663830.db2.gz ISTMXPVXFUNTER-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000191889574 375673283 /nfs/dbraw/zinc/67/32/83/375673283.db2.gz LTFSXFKGZIFDKR-HNNXBMFYSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000191889574 375673289 /nfs/dbraw/zinc/67/32/89/375673289.db2.gz LTFSXFKGZIFDKR-HNNXBMFYSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[N@H+](Cc1cocn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191928691 375680841 /nfs/dbraw/zinc/68/08/41/375680841.db2.gz DLSZLAVKWBXYKJ-LBPRGKRZSA-N 1 2 255.321 3.129 20 30 CGEDLO CC[N@@H+](Cc1cocn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191928691 375680852 /nfs/dbraw/zinc/68/08/52/375680852.db2.gz DLSZLAVKWBXYKJ-LBPRGKRZSA-N 1 2 255.321 3.129 20 30 CGEDLO N#Cc1c(F)ccc(CNc2cccc[nH+]2)c1Cl ZINC000336124230 375703432 /nfs/dbraw/zinc/70/34/32/375703432.db2.gz QEPUJMODRIDLQI-UHFFFAOYSA-N 1 2 261.687 3.358 20 30 CGEDLO Cc1cc(CNc2[nH]c3cccc(Cl)c3[nH+]2)ccc1C#N ZINC000508469856 375745262 /nfs/dbraw/zinc/74/52/62/375745262.db2.gz HHBAIVCINFIQBZ-UHFFFAOYSA-N 1 2 296.761 3.430 20 30 CGEDLO CCCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000509789010 375783633 /nfs/dbraw/zinc/78/36/33/375783633.db2.gz SKGNIQWRYABSJP-CQSZACIVSA-N 1 2 260.381 3.457 20 30 CGEDLO CCCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000509789010 375783638 /nfs/dbraw/zinc/78/36/38/375783638.db2.gz SKGNIQWRYABSJP-CQSZACIVSA-N 1 2 260.381 3.457 20 30 CGEDLO C=C(C)CC[N@@H+](CC(=O)OCC)Cc1ccc(F)cc1 ZINC000509328556 375778751 /nfs/dbraw/zinc/77/87/51/375778751.db2.gz SBRAWWRVIUGCJQ-UHFFFAOYSA-N 1 2 279.355 3.157 20 30 CGEDLO C=C(C)CC[N@H+](CC(=O)OCC)Cc1ccc(F)cc1 ZINC000509328556 375778757 /nfs/dbraw/zinc/77/87/57/375778757.db2.gz SBRAWWRVIUGCJQ-UHFFFAOYSA-N 1 2 279.355 3.157 20 30 CGEDLO C[C@H]([NH2+]CCC#N)c1cc(F)c(Br)cc1F ZINC000528638008 375907693 /nfs/dbraw/zinc/90/76/93/375907693.db2.gz YKOQXZTYRWPGHA-ZETCQYMHSA-N 1 2 289.123 3.292 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536620653 376102923 /nfs/dbraw/zinc/10/29/23/376102923.db2.gz KXMJVSZFLCVPQM-UHFFFAOYSA-N 1 2 295.386 3.340 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000337589563 376230654 /nfs/dbraw/zinc/23/06/54/376230654.db2.gz GTQLROPZOWSOTC-CQSZACIVSA-N 1 2 298.390 3.212 20 30 CGEDLO C=C[C@@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337770965 376238446 /nfs/dbraw/zinc/23/84/46/376238446.db2.gz OFYSDXOPHQEJFY-GFCCVEGCSA-N 1 2 268.316 3.178 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000264467812 190111914 /nfs/dbraw/zinc/11/19/14/190111914.db2.gz MNKVVAAEQNSKOC-CYBMUJFWSA-N 1 2 290.432 3.388 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1c(C)cc(C)[nH+]c1C)OCC ZINC000339609140 376771016 /nfs/dbraw/zinc/77/10/16/376771016.db2.gz RDTQYWAXENFGCO-CQSZACIVSA-N 1 2 276.380 3.317 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(F)ccc2F)c1 ZINC000545219835 376800350 /nfs/dbraw/zinc/80/03/50/376800350.db2.gz ZJAXLNJORIZIEJ-UHFFFAOYSA-N 1 2 259.259 3.038 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000339755033 376834498 /nfs/dbraw/zinc/83/44/98/376834498.db2.gz DAFCAIBUQHLTSW-CQSZACIVSA-N 1 2 286.419 3.094 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000339755033 376834505 /nfs/dbraw/zinc/83/45/05/376834505.db2.gz DAFCAIBUQHLTSW-CQSZACIVSA-N 1 2 286.419 3.094 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000339754158 376835881 /nfs/dbraw/zinc/83/58/81/376835881.db2.gz MXOOPJHGPVUEIG-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000339754158 376835887 /nfs/dbraw/zinc/83/58/87/376835887.db2.gz MXOOPJHGPVUEIG-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339770607 376837463 /nfs/dbraw/zinc/83/74/63/376837463.db2.gz DOFSJVRJHWSGCX-HNNXBMFYSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339770607 376837469 /nfs/dbraw/zinc/83/74/69/376837469.db2.gz DOFSJVRJHWSGCX-HNNXBMFYSA-N 1 2 288.366 3.088 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000554838712 376853511 /nfs/dbraw/zinc/85/35/11/376853511.db2.gz CBRFXVLGLCFGKF-ZDUSSCGKSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000554838712 376853519 /nfs/dbraw/zinc/85/35/19/376853519.db2.gz CBRFXVLGLCFGKF-ZDUSSCGKSA-N 1 2 272.779 3.316 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000340926412 377324835 /nfs/dbraw/zinc/32/48/35/377324835.db2.gz SEEZEZKEQIJHQJ-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340926412 377324847 /nfs/dbraw/zinc/32/48/47/377324847.db2.gz SEEZEZKEQIJHQJ-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000562068284 377273861 /nfs/dbraw/zinc/27/38/61/377273861.db2.gz QITZYQWIVXTCNP-BXKDBHETSA-N 1 2 273.361 3.021 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000562261770 377288753 /nfs/dbraw/zinc/28/87/53/377288753.db2.gz GBXOEVJBBODPEX-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000562261770 377288756 /nfs/dbraw/zinc/28/87/56/377288756.db2.gz GBXOEVJBBODPEX-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO N#Cc1cc(Nc2ccc(Nc3ccccc3)[nH+]c2)ncn1 ZINC000515966712 249223797 /nfs/dbraw/zinc/22/37/97/249223797.db2.gz NMKMPCDFNFYQTJ-UHFFFAOYSA-N 1 2 288.314 3.230 20 30 CGEDLO CCc1nc(Nc2cccc(OCCCC#N)c2)cc(C)[nH+]1 ZINC000341574990 377608407 /nfs/dbraw/zinc/60/84/07/377608407.db2.gz PSZNIONLNHHGRZ-UHFFFAOYSA-N 1 2 296.374 3.196 20 30 CGEDLO N#Cc1ccc(NCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000342891314 377853820 /nfs/dbraw/zinc/85/38/20/377853820.db2.gz BOVIVDOYSBFHOZ-UHFFFAOYSA-N 1 2 262.316 3.089 20 30 CGEDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC2(C#N)CC2)cc1 ZINC000343320839 377952105 /nfs/dbraw/zinc/95/21/05/377952105.db2.gz NCMITAXRXJHRDY-OAHLLOKOSA-N 1 2 272.417 3.389 20 30 CGEDLO Cc1ccc([C@H]2CSCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000343320839 377952109 /nfs/dbraw/zinc/95/21/09/377952109.db2.gz NCMITAXRXJHRDY-OAHLLOKOSA-N 1 2 272.417 3.389 20 30 CGEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC2(C#N)CC2)s1 ZINC000343322596 377953852 /nfs/dbraw/zinc/95/38/52/377953852.db2.gz QZILNTKFDLAUIB-NSHDSACASA-N 1 2 263.410 3.311 20 30 CGEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC2(C#N)CC2)s1 ZINC000343322596 377953855 /nfs/dbraw/zinc/95/38/55/377953855.db2.gz QZILNTKFDLAUIB-NSHDSACASA-N 1 2 263.410 3.311 20 30 CGEDLO CCc1c[nH+]ccc1NC(=O)C1(C#N)CCCCC1 ZINC000265077355 377998210 /nfs/dbraw/zinc/99/82/10/377998210.db2.gz WBLXUXLLGQRFLZ-UHFFFAOYSA-N 1 2 257.337 3.057 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1OC(F)F ZINC000343590083 378030804 /nfs/dbraw/zinc/03/08/04/378030804.db2.gz XJRLZXNFLRWYEA-JTQLQIEISA-N 1 2 266.291 3.242 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CCC(C)C)oc1C ZINC000266719998 378025736 /nfs/dbraw/zinc/02/57/36/378025736.db2.gz HJHLGKUJIYFFAC-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CCC(C)C)oc1C ZINC000266719998 378025740 /nfs/dbraw/zinc/02/57/40/378025740.db2.gz HJHLGKUJIYFFAC-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO CC(C)[N@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000269640069 378247526 /nfs/dbraw/zinc/24/75/26/378247526.db2.gz JNIGGFQGHKPVFF-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO CC(C)[N@@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000269640069 378247528 /nfs/dbraw/zinc/24/75/28/378247528.db2.gz JNIGGFQGHKPVFF-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270318374 378334296 /nfs/dbraw/zinc/33/42/96/378334296.db2.gz HTUCKKMCLAUMKT-ZANVPECISA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270318374 378334299 /nfs/dbraw/zinc/33/42/99/378334299.db2.gz HTUCKKMCLAUMKT-ZANVPECISA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@@]12C[N@@H+]([C@@H](C#N)c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508789 378401868 /nfs/dbraw/zinc/40/18/68/378401868.db2.gz BUGRQTSJZSGOEK-FPSMNIFISA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@@]12C[N@H+]([C@@H](C#N)c3ccccc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508789 378401872 /nfs/dbraw/zinc/40/18/72/378401872.db2.gz BUGRQTSJZSGOEK-FPSMNIFISA-N 1 2 264.372 3.395 20 30 CGEDLO CC(C)(CCC#N)CNc1cc(CSCCO)cc[nH+]1 ZINC000270682995 378387162 /nfs/dbraw/zinc/38/71/62/378387162.db2.gz TYERWGZQQMRUJJ-UHFFFAOYSA-N 1 2 293.436 3.049 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(CCCC)no1 ZINC000272237614 378593274 /nfs/dbraw/zinc/59/32/74/378593274.db2.gz FVRCKKFTFLXZHT-UHFFFAOYSA-N 1 2 289.379 3.236 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(CCCC)no1 ZINC000272237614 378593276 /nfs/dbraw/zinc/59/32/76/378593276.db2.gz FVRCKKFTFLXZHT-UHFFFAOYSA-N 1 2 289.379 3.236 20 30 CGEDLO C=C(C)C[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000346959473 378698310 /nfs/dbraw/zinc/69/83/10/378698310.db2.gz JXJZRDSEYNEPGT-UHFFFAOYSA-N 1 2 289.379 3.475 20 30 CGEDLO CC[N@H+](Cc1ccncc1)Cc1ccc(F)cc1C#N ZINC000348070870 378777749 /nfs/dbraw/zinc/77/77/49/378777749.db2.gz JTFXRZGIXDATHG-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1C#N ZINC000348070870 378777757 /nfs/dbraw/zinc/77/77/57/378777757.db2.gz JTFXRZGIXDATHG-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO C=C(C)C[N@H+](Cc1nnc(C2CC2)[nH]1)Cc1ccccc1 ZINC000348227237 378848749 /nfs/dbraw/zinc/84/87/49/378848749.db2.gz KRONKLXUFSFJOS-UHFFFAOYSA-N 1 2 282.391 3.260 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nnc(C2CC2)[nH]1)Cc1ccccc1 ZINC000348227237 378848753 /nfs/dbraw/zinc/84/87/53/378848753.db2.gz KRONKLXUFSFJOS-UHFFFAOYSA-N 1 2 282.391 3.260 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000348286548 378888114 /nfs/dbraw/zinc/88/81/14/378888114.db2.gz SBNDPTFHOCLJJW-RNCFNFMXSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000348286548 378888121 /nfs/dbraw/zinc/88/81/21/378888121.db2.gz SBNDPTFHOCLJJW-RNCFNFMXSA-N 1 2 286.272 3.470 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000275108601 378938382 /nfs/dbraw/zinc/93/83/82/378938382.db2.gz GQKIEBZQFLCRIJ-DOTOQJQBSA-N 1 2 297.402 3.138 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1cscc1Br ZINC000348401580 378942940 /nfs/dbraw/zinc/94/29/40/378942940.db2.gz DCWLCYOTQIUUPM-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1cscc1Br ZINC000348401580 378942947 /nfs/dbraw/zinc/94/29/47/378942947.db2.gz DCWLCYOTQIUUPM-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C=C(C)C[N@H+](Cc1nnc2n1CCCC2)Cc1ccccc1 ZINC000373442682 379280353 /nfs/dbraw/zinc/28/03/53/379280353.db2.gz MTPIYLKMOYAWEW-UHFFFAOYSA-N 1 2 296.418 3.193 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nnc2n1CCCC2)Cc1ccccc1 ZINC000373442682 379280365 /nfs/dbraw/zinc/28/03/65/379280365.db2.gz MTPIYLKMOYAWEW-UHFFFAOYSA-N 1 2 296.418 3.193 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCc2occc2C1 ZINC000377608341 379704609 /nfs/dbraw/zinc/70/46/09/379704609.db2.gz RVPYVYHIUFWRAS-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCc2occc2C1 ZINC000377608341 379704612 /nfs/dbraw/zinc/70/46/12/379704612.db2.gz RVPYVYHIUFWRAS-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000193617548 542272769 /nfs/dbraw/zinc/27/27/69/542272769.db2.gz OOELGWUQIJWUCD-MRXNPFEDSA-N 1 2 283.375 3.166 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000193617548 542272771 /nfs/dbraw/zinc/27/27/71/542272771.db2.gz OOELGWUQIJWUCD-MRXNPFEDSA-N 1 2 283.375 3.166 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000281222036 379823629 /nfs/dbraw/zinc/82/36/29/379823629.db2.gz BTDIBEIPVRJVGG-SFHVURJKSA-N 1 2 297.377 3.138 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000281222036 379823636 /nfs/dbraw/zinc/82/36/36/379823636.db2.gz BTDIBEIPVRJVGG-SFHVURJKSA-N 1 2 297.377 3.138 20 30 CGEDLO CCOC(=O)C(C)(C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411377515 380142765 /nfs/dbraw/zinc/14/27/65/380142765.db2.gz MFUKQWNCOUEAHK-UHFFFAOYSA-N 1 2 280.412 3.124 20 30 CGEDLO CCOC(=O)C(C)(C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411377515 380142772 /nfs/dbraw/zinc/14/27/72/380142772.db2.gz MFUKQWNCOUEAHK-UHFFFAOYSA-N 1 2 280.412 3.124 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1c(F)cncc1F ZINC000353121810 380125599 /nfs/dbraw/zinc/12/55/99/380125599.db2.gz TVLRVPDPAPRLKF-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO COc1c(C[NH2+]Cc2ccc(C#N)o2)oc2ccccc21 ZINC000353242179 380185883 /nfs/dbraw/zinc/18/58/83/380185883.db2.gz YERHROKFWOEFIS-UHFFFAOYSA-N 1 2 282.299 3.196 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(Cl)c1)CC(C)(C)C#N ZINC000354017493 380279691 /nfs/dbraw/zinc/27/96/91/380279691.db2.gz KGNGWRSSZYKDGQ-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(Cl)c1)CC(C)(C)C#N ZINC000354017493 380279697 /nfs/dbraw/zinc/27/96/97/380279697.db2.gz KGNGWRSSZYKDGQ-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C=CC[C@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354430860 380436288 /nfs/dbraw/zinc/43/62/88/380436288.db2.gz NMOYFSDFLUCTSE-ZDUSSCGKSA-N 1 2 297.402 3.385 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@H](C)OCC)n1)C1CC1 ZINC000357530247 381195981 /nfs/dbraw/zinc/19/59/81/381195981.db2.gz OMCGEBZHFMAJKI-NSHDSACASA-N 1 2 266.410 3.391 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@H](C)OCC)n1)C1CC1 ZINC000357530247 381195987 /nfs/dbraw/zinc/19/59/87/381195987.db2.gz OMCGEBZHFMAJKI-NSHDSACASA-N 1 2 266.410 3.391 20 30 CGEDLO CC(C)[C@H](Nc1ccc(Cl)c(C#N)n1)c1[nH]cc[nH+]1 ZINC000357562709 381211866 /nfs/dbraw/zinc/21/18/66/381211866.db2.gz ZNSXSMQOMXUQEF-LBPRGKRZSA-N 1 2 275.743 3.139 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000358281226 381300202 /nfs/dbraw/zinc/30/02/02/381300202.db2.gz AJGMFDNCOSIYBG-CQSZACIVSA-N 1 2 276.380 3.264 20 30 CGEDLO C=C(CC)C[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000358509970 381314123 /nfs/dbraw/zinc/31/41/23/381314123.db2.gz NZAVQGPDADVMJQ-UHFFFAOYSA-N 1 2 269.392 3.329 20 30 CGEDLO C=C(CC)C[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000358509970 381314130 /nfs/dbraw/zinc/31/41/30/381314130.db2.gz NZAVQGPDADVMJQ-UHFFFAOYSA-N 1 2 269.392 3.329 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000361316400 381691162 /nfs/dbraw/zinc/69/11/62/381691162.db2.gz PURFMNUYMFOMMF-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000361316400 381691167 /nfs/dbraw/zinc/69/11/67/381691167.db2.gz PURFMNUYMFOMMF-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361594899 381825317 /nfs/dbraw/zinc/82/53/17/381825317.db2.gz QSEVBCYTLKWFLZ-OAHLLOKOSA-N 1 2 286.419 3.124 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361594899 381825320 /nfs/dbraw/zinc/82/53/20/381825320.db2.gz QSEVBCYTLKWFLZ-OAHLLOKOSA-N 1 2 286.419 3.124 20 30 CGEDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000543762685 288819365 /nfs/dbraw/zinc/81/93/65/288819365.db2.gz HXGRSHAZDOEZTN-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC(C)C ZINC000093090493 392234584 /nfs/dbraw/zinc/23/45/84/392234584.db2.gz XGTHEAGIDNXGMW-ZDUSSCGKSA-N 1 2 276.380 3.216 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC(C)C ZINC000093090493 392234589 /nfs/dbraw/zinc/23/45/89/392234589.db2.gz XGTHEAGIDNXGMW-ZDUSSCGKSA-N 1 2 276.380 3.216 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccccc1Br ZINC000093792593 392239450 /nfs/dbraw/zinc/23/94/50/392239450.db2.gz NPQATRCYDYLOIE-UHFFFAOYSA-N 1 2 297.196 3.063 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccccc1Br ZINC000093792593 392239451 /nfs/dbraw/zinc/23/94/51/392239451.db2.gz NPQATRCYDYLOIE-UHFFFAOYSA-N 1 2 297.196 3.063 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000283027311 392298846 /nfs/dbraw/zinc/29/88/46/392298846.db2.gz HJTTXMPOWRGSEK-UHFFFAOYSA-N 1 2 264.417 3.211 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000283027311 392298850 /nfs/dbraw/zinc/29/88/50/392298850.db2.gz HJTTXMPOWRGSEK-UHFFFAOYSA-N 1 2 264.417 3.211 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2c(cccc2F)n1CC ZINC000114723728 392386857 /nfs/dbraw/zinc/38/68/57/392386857.db2.gz XYZSTWIXEGPWHH-UHFFFAOYSA-N 1 2 273.355 3.369 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000121010391 392406862 /nfs/dbraw/zinc/40/68/62/392406862.db2.gz JYIDPAXPJIOHAA-MNOVXSKESA-N 1 2 263.291 3.059 20 30 CGEDLO C#CCCCC[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000121030733 392407324 /nfs/dbraw/zinc/40/73/24/392407324.db2.gz JOZQXQLFKHZCDG-SFQUDFHCSA-N 1 2 252.317 3.163 20 30 CGEDLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000301894740 392601102 /nfs/dbraw/zinc/60/11/02/392601102.db2.gz SYYXOXMDWRYISG-NSHDSACASA-N 1 2 289.342 3.257 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372467556 392613497 /nfs/dbraw/zinc/61/34/97/392613497.db2.gz WIWZGWWIBDRQNU-ZDUSSCGKSA-N 1 2 289.423 3.063 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372467556 392613500 /nfs/dbraw/zinc/61/35/00/392613500.db2.gz WIWZGWWIBDRQNU-ZDUSSCGKSA-N 1 2 289.423 3.063 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334196002 392710431 /nfs/dbraw/zinc/71/04/31/392710431.db2.gz KSHYLTONTNBGSZ-CYBMUJFWSA-N 1 2 259.353 3.271 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375322363 392767109 /nfs/dbraw/zinc/76/71/09/392767109.db2.gz YCRUOKUGJDXLJB-KRWDZBQOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375322363 392767115 /nfs/dbraw/zinc/76/71/15/392767115.db2.gz YCRUOKUGJDXLJB-KRWDZBQOSA-N 1 2 288.366 3.088 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000338351864 392910981 /nfs/dbraw/zinc/91/09/81/392910981.db2.gz RDNWSIQQQQKGCR-JTQLQIEISA-N 1 2 250.292 3.089 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000338351864 392910985 /nfs/dbraw/zinc/91/09/85/392910985.db2.gz RDNWSIQQQQKGCR-JTQLQIEISA-N 1 2 250.292 3.089 20 30 CGEDLO CCc1ccc(C[N@H+](CCC#N)CCC(C)C)nc1 ZINC000339010295 392939482 /nfs/dbraw/zinc/93/94/82/392939482.db2.gz JOZDZUFYJPBWAG-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO CCc1ccc(C[N@@H+](CCC#N)CCC(C)C)nc1 ZINC000339010295 392939487 /nfs/dbraw/zinc/93/94/87/392939487.db2.gz JOZDZUFYJPBWAG-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1F ZINC000339780145 392960711 /nfs/dbraw/zinc/96/07/11/392960711.db2.gz SUSGTEMHYIXLJM-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1F ZINC000339780145 392960718 /nfs/dbraw/zinc/96/07/18/392960718.db2.gz SUSGTEMHYIXLJM-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411651458 392984929 /nfs/dbraw/zinc/98/49/29/392984929.db2.gz CQSOBAFQUZWFON-AWEZNQCLSA-N 1 2 288.391 3.057 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411651458 392984932 /nfs/dbraw/zinc/98/49/32/392984932.db2.gz CQSOBAFQUZWFON-AWEZNQCLSA-N 1 2 288.391 3.057 20 30 CGEDLO Cc1csc(C2([NH2+]CC3(C#N)CC3)CCCC2)n1 ZINC000343306996 393024584 /nfs/dbraw/zinc/02/45/84/393024584.db2.gz XLPJTGHSZXYSGU-UHFFFAOYSA-N 1 2 261.394 3.114 20 30 CGEDLO CCCCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263946610 393155828 /nfs/dbraw/zinc/15/58/28/393155828.db2.gz LXZZSBVEWAXILI-CQSZACIVSA-N 1 2 277.412 3.476 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000271055001 393244497 /nfs/dbraw/zinc/24/44/97/393244497.db2.gz YRJBXKUMTQXSEC-JTQLQIEISA-N 1 2 258.346 3.332 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000271055001 393244505 /nfs/dbraw/zinc/24/45/05/393244505.db2.gz YRJBXKUMTQXSEC-JTQLQIEISA-N 1 2 258.346 3.332 20 30 CGEDLO N#CC1(CC[N@@H+]2Cc3ccccc3NC(=O)C2)CCCCC1 ZINC000570694973 393197871 /nfs/dbraw/zinc/19/78/71/393197871.db2.gz VDHNVZWWCXGDCX-UHFFFAOYSA-N 1 2 297.402 3.305 20 30 CGEDLO N#CC1(CC[N@H+]2Cc3ccccc3NC(=O)C2)CCCCC1 ZINC000570694973 393197874 /nfs/dbraw/zinc/19/78/74/393197874.db2.gz VDHNVZWWCXGDCX-UHFFFAOYSA-N 1 2 297.402 3.305 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000427005564 393452786 /nfs/dbraw/zinc/45/27/86/393452786.db2.gz UGAAIQSQACQQMF-QGZVFWFLSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000427005564 393452787 /nfs/dbraw/zinc/45/27/87/393452787.db2.gz UGAAIQSQACQQMF-QGZVFWFLSA-N 1 2 291.822 3.438 20 30 CGEDLO C=CC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000675249316 543324329 /nfs/dbraw/zinc/32/43/29/543324329.db2.gz XEMCZWVYOMDYJV-UHFFFAOYSA-N 1 2 270.145 3.132 20 30 CGEDLO C=CC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000675249316 543324332 /nfs/dbraw/zinc/32/43/32/543324332.db2.gz XEMCZWVYOMDYJV-UHFFFAOYSA-N 1 2 270.145 3.132 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000075831807 287029021 /nfs/dbraw/zinc/02/90/21/287029021.db2.gz YNOHDIDKZZVMGP-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000075831807 287029023 /nfs/dbraw/zinc/02/90/23/287029023.db2.gz YNOHDIDKZZVMGP-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO CN(C)c1cccc(C[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000089922909 165219703 /nfs/dbraw/zinc/21/97/03/165219703.db2.gz REJZNJQXNXDFSJ-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO CN(C)c1cccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000089922909 165219705 /nfs/dbraw/zinc/21/97/05/165219705.db2.gz REJZNJQXNXDFSJ-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO C=CCC1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCC1 ZINC000682929319 543879459 /nfs/dbraw/zinc/87/94/59/543879459.db2.gz IPXHCBDMKFDMGF-UHFFFAOYSA-N 1 2 295.386 3.439 20 30 CGEDLO C=CC[C@@H]1N(C(=O)CCCn2cc[nH+]c2)CCCC1(C)C ZINC000683458006 543916305 /nfs/dbraw/zinc/91/63/05/543916305.db2.gz VLTWJGQCNTUPGB-HNNXBMFYSA-N 1 2 289.423 3.257 20 30 CGEDLO C=CCOCCCNc1[nH+]ccc(C)c1Br ZINC000664389111 418947759 /nfs/dbraw/zinc/94/77/59/418947759.db2.gz WKJRYIRYZNKAFT-UHFFFAOYSA-N 1 2 285.185 3.157 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912142 419112041 /nfs/dbraw/zinc/11/20/41/419112041.db2.gz ONEYDMREYLBRNS-ZBFHGGJFSA-N 1 2 268.360 3.350 20 30 CGEDLO C=CCCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000654069975 419133859 /nfs/dbraw/zinc/13/38/59/419133859.db2.gz BLWTXMWZUZEHRJ-UHFFFAOYSA-N 1 2 297.402 3.408 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000665951482 419173703 /nfs/dbraw/zinc/17/37/03/419173703.db2.gz MCILXVDKIIJEHL-CQSZACIVSA-N 1 2 298.390 3.463 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3)CCO2)c1 ZINC000367123317 227823262 /nfs/dbraw/zinc/82/32/62/227823262.db2.gz PMYSZGSWEXZQDZ-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)c1 ZINC000367123317 227823267 /nfs/dbraw/zinc/82/32/67/227823267.db2.gz PMYSZGSWEXZQDZ-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000666131804 419191787 /nfs/dbraw/zinc/19/17/87/419191787.db2.gz JXLQTVWEJNUPTH-OKILXGFUSA-N 1 2 282.347 3.049 20 30 CGEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2)o1)[C@H](C)COC ZINC000661246187 419244109 /nfs/dbraw/zinc/24/41/09/419244109.db2.gz GBAUVQCKRKUTLR-CQSZACIVSA-N 1 2 286.375 3.365 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@H](C)COC ZINC000661246187 419244112 /nfs/dbraw/zinc/24/41/12/419244112.db2.gz GBAUVQCKRKUTLR-CQSZACIVSA-N 1 2 286.375 3.365 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nc(C)c[nH]1)c1ccc(F)c(F)c1 ZINC000657437773 419278532 /nfs/dbraw/zinc/27/85/32/419278532.db2.gz VDVXEUICRJMSMY-OAHLLOKOSA-N 1 2 277.318 3.403 20 30 CGEDLO C=CC[N@@H+](Cc1noc(CCCC)n1)C(C)(C)C ZINC000661755607 419295348 /nfs/dbraw/zinc/29/53/48/419295348.db2.gz VROKMLMUYJUYLA-UHFFFAOYSA-N 1 2 251.374 3.199 20 30 CGEDLO C=CC[N@H+](Cc1noc(CCCC)n1)C(C)(C)C ZINC000661755607 419295351 /nfs/dbraw/zinc/29/53/51/419295351.db2.gz VROKMLMUYJUYLA-UHFFFAOYSA-N 1 2 251.374 3.199 20 30 CGEDLO C[C@H]1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000356078977 228112902 /nfs/dbraw/zinc/11/29/02/228112902.db2.gz AEYIXHFDHPZFJK-QWRGUYRKSA-N 1 2 298.308 3.186 20 30 CGEDLO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]ncc1Br ZINC000657890029 419411489 /nfs/dbraw/zinc/41/14/89/419411489.db2.gz KRIYZRUKUZFKSG-CMPLNLGQSA-N 1 2 298.228 3.397 20 30 CGEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1Br ZINC000044413513 260190088 /nfs/dbraw/zinc/19/00/88/260190088.db2.gz WREFXIHWHBAOOF-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1Br ZINC000044413513 260190089 /nfs/dbraw/zinc/19/00/89/260190089.db2.gz WREFXIHWHBAOOF-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126096455 260345636 /nfs/dbraw/zinc/34/56/36/260345636.db2.gz OTFKCJJDHUCSCM-QMMMGPOBSA-N 1 2 261.188 3.011 20 30 CGEDLO COc1ccc(CC[N@@H+]2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000444735463 261142155 /nfs/dbraw/zinc/14/21/55/261142155.db2.gz ULZYKJVUBFYLPV-INIZCTEOSA-N 1 2 272.392 3.252 20 30 CGEDLO COc1ccc(CC[N@H+]2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000444735463 261142157 /nfs/dbraw/zinc/14/21/57/261142157.db2.gz ULZYKJVUBFYLPV-INIZCTEOSA-N 1 2 272.392 3.252 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000192960623 262212983 /nfs/dbraw/zinc/21/29/83/262212983.db2.gz IEJBVEKUVJMOJA-KCQAQPDRSA-N 1 2 296.374 3.470 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000271122538 262993384 /nfs/dbraw/zinc/99/33/84/262993384.db2.gz IOHCTLLTMRKCEB-NSHDSACASA-N 1 2 288.782 3.322 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000271122538 262993385 /nfs/dbraw/zinc/99/33/85/262993385.db2.gz IOHCTLLTMRKCEB-NSHDSACASA-N 1 2 288.782 3.322 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272621858 263007751 /nfs/dbraw/zinc/00/77/51/263007751.db2.gz UUUKJQGYLGJYQS-UHFFFAOYSA-N 1 2 299.418 3.099 20 30 CGEDLO COc1c(Br)cccc1C[N@H+](C)C[C@@H](C)C#N ZINC000274929166 263031647 /nfs/dbraw/zinc/03/16/47/263031647.db2.gz XACVDOYTZMWIAI-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO COc1c(Br)cccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000274929166 263031648 /nfs/dbraw/zinc/03/16/48/263031648.db2.gz XACVDOYTZMWIAI-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000278521890 263048627 /nfs/dbraw/zinc/04/86/27/263048627.db2.gz OWCLCHBGGFYKFF-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000278521890 263048628 /nfs/dbraw/zinc/04/86/28/263048628.db2.gz OWCLCHBGGFYKFF-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1C/[NH+]=C/c1cc(OCC)ccc1O ZINC000281721690 263071541 /nfs/dbraw/zinc/07/15/41/263071541.db2.gz IHGWOLPKMHUVMW-IVKDTBIESA-N 1 2 289.375 3.191 20 30 CGEDLO Cc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)nn1C ZINC000282013576 263073642 /nfs/dbraw/zinc/07/36/42/263073642.db2.gz DRVWVQCZPQWQDI-HOCLYGCPSA-N 1 2 282.391 3.424 20 30 CGEDLO N#CCC[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ccco1 ZINC000286392602 263098517 /nfs/dbraw/zinc/09/85/17/263098517.db2.gz KYORLQNXOUOJQB-QGZVFWFLSA-N 1 2 284.359 3.119 20 30 CGEDLO N#CCC[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccco1 ZINC000286392602 263098518 /nfs/dbraw/zinc/09/85/18/263098518.db2.gz KYORLQNXOUOJQB-QGZVFWFLSA-N 1 2 284.359 3.119 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000292154335 263129063 /nfs/dbraw/zinc/12/90/63/263129063.db2.gz KKUPZQSLHPKUQX-UHFFFAOYSA-N 1 2 291.782 3.070 20 30 CGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000292154335 263129064 /nfs/dbraw/zinc/12/90/64/263129064.db2.gz KKUPZQSLHPKUQX-UHFFFAOYSA-N 1 2 291.782 3.070 20 30 CGEDLO C=CCc1cc(C[N@@H+](CC=C)CCC#N)cc(OC)c1O ZINC000292697718 263133772 /nfs/dbraw/zinc/13/37/72/263133772.db2.gz BXPIJUHYLFUULT-UHFFFAOYSA-N 1 2 286.375 3.031 20 30 CGEDLO C=CCc1cc(C[N@H+](CC=C)CCC#N)cc(OC)c1O ZINC000292697718 263133773 /nfs/dbraw/zinc/13/37/73/263133773.db2.gz BXPIJUHYLFUULT-UHFFFAOYSA-N 1 2 286.375 3.031 20 30 CGEDLO C#CCCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000119623245 263275914 /nfs/dbraw/zinc/27/59/14/263275914.db2.gz YGWCXLAAHAFKNH-UHFFFAOYSA-N 1 2 267.332 3.004 20 30 CGEDLO Cc1cc(NCC(C)(C)CCC#N)nc(-c2ccncc2)[nH+]1 ZINC000340904798 263309169 /nfs/dbraw/zinc/30/91/69/263309169.db2.gz UJRNCCPBWMGTLG-UHFFFAOYSA-N 1 2 295.390 3.011 20 30 CGEDLO C=CC[C@@H](CO)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000340887761 263312034 /nfs/dbraw/zinc/31/20/34/263312034.db2.gz QYNASOCMOUOHQF-GFCCVEGCSA-N 1 2 274.339 3.279 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000330801845 264041872 /nfs/dbraw/zinc/04/18/72/264041872.db2.gz ALDWYPIWMZBLJF-HOCLYGCPSA-N 1 2 285.391 3.030 20 30 CGEDLO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000331314063 264187407 /nfs/dbraw/zinc/18/74/07/264187407.db2.gz CNUKAQDYXJSSAZ-GXTWGEPZSA-N 1 2 273.380 3.041 20 30 CGEDLO CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)C[C@H](C)C#N ZINC000425405904 264284670 /nfs/dbraw/zinc/28/46/70/264284670.db2.gz ZLOHKAGFHRHHOQ-CQSZACIVSA-N 1 2 280.375 3.125 20 30 CGEDLO CC[N@H+](Cc1ccc(-c2ccccn2)nc1)C[C@H](C)C#N ZINC000425405904 264284672 /nfs/dbraw/zinc/28/46/72/264284672.db2.gz ZLOHKAGFHRHHOQ-CQSZACIVSA-N 1 2 280.375 3.125 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(-c2ccccn2)nc1)CC1CC1 ZINC000425411273 264293518 /nfs/dbraw/zinc/29/35/18/264293518.db2.gz ADALFIZQGUIPTQ-UHFFFAOYSA-N 1 2 292.386 3.269 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(-c2ccccn2)nc1)CC1CC1 ZINC000425411273 264293521 /nfs/dbraw/zinc/29/35/21/264293521.db2.gz ADALFIZQGUIPTQ-UHFFFAOYSA-N 1 2 292.386 3.269 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103466582 270045966 /nfs/dbraw/zinc/04/59/66/270045966.db2.gz HLMKVGDGFLNRFG-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103466582 270045967 /nfs/dbraw/zinc/04/59/67/270045967.db2.gz HLMKVGDGFLNRFG-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH+]3CCC(C)(C#N)CC3)sc2C1 ZINC000356931959 266212737 /nfs/dbraw/zinc/21/27/37/266212737.db2.gz IKIJCXBIWOVKQG-GFCCVEGCSA-N 1 2 289.448 3.394 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@@H](CC)O1 ZINC000398354142 266379899 /nfs/dbraw/zinc/37/98/99/266379899.db2.gz ATKLGQFXWUQQBW-HZPDHXFCSA-N 1 2 276.355 3.087 20 30 CGEDLO COc1cccc(C2=CC[N@H+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000363128519 267076305 /nfs/dbraw/zinc/07/63/05/267076305.db2.gz RMGFXZREKAVNSZ-HNNXBMFYSA-N 1 2 295.386 3.228 20 30 CGEDLO COc1cccc(C2=CC[N@@H+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000363128519 267076306 /nfs/dbraw/zinc/07/63/06/267076306.db2.gz RMGFXZREKAVNSZ-HNNXBMFYSA-N 1 2 295.386 3.228 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)C1CC1 ZINC000367562419 267100131 /nfs/dbraw/zinc/10/01/31/267100131.db2.gz HXCFYEGNHHCOTG-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)C1CC1 ZINC000367562419 267100136 /nfs/dbraw/zinc/10/01/36/267100136.db2.gz HXCFYEGNHHCOTG-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000528768316 270172107 /nfs/dbraw/zinc/17/21/07/270172107.db2.gz JQJDHHWPJHZZNX-SNVBAGLBSA-N 1 2 268.282 3.317 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000528768316 270172108 /nfs/dbraw/zinc/17/21/08/270172108.db2.gz JQJDHHWPJHZZNX-SNVBAGLBSA-N 1 2 268.282 3.317 20 30 CGEDLO N#Cc1ncccc1SCc1[nH+]ccn1CC(F)(F)F ZINC000519551289 268326251 /nfs/dbraw/zinc/32/62/51/268326251.db2.gz LYTLPLVTOXVACZ-UHFFFAOYSA-N 1 2 298.293 3.004 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc2O1 ZINC000429166551 288215618 /nfs/dbraw/zinc/21/56/18/288215618.db2.gz VSARKACUHQSOMU-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc2O1 ZINC000429166551 288215621 /nfs/dbraw/zinc/21/56/21/288215621.db2.gz VSARKACUHQSOMU-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO CC[C@]1(C)COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000534117266 328036177 /nfs/dbraw/zinc/03/61/77/328036177.db2.gz BAHVSQPFCHOQNL-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@]1(C)COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000534117266 328036178 /nfs/dbraw/zinc/03/61/78/328036178.db2.gz BAHVSQPFCHOQNL-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc(C)[nH+]cn1 ZINC000413577539 328149918 /nfs/dbraw/zinc/14/99/18/328149918.db2.gz NFWYNABQAKMCDD-HNNXBMFYSA-N 1 2 253.349 3.384 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000264383432 328159351 /nfs/dbraw/zinc/15/93/51/328159351.db2.gz FUSASBJCYRLTCE-LLVKDONJSA-N 1 2 286.297 3.176 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000264383432 328159352 /nfs/dbraw/zinc/15/93/52/328159352.db2.gz FUSASBJCYRLTCE-LLVKDONJSA-N 1 2 286.297 3.176 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000272509523 328200145 /nfs/dbraw/zinc/20/01/45/328200145.db2.gz FYBVIBXMOXKLBF-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO CC[N@H+](Cc1cc(C(C)=O)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000568468201 322210224 /nfs/dbraw/zinc/21/02/24/322210224.db2.gz CYYKSRWBKOQVOI-LBPRGKRZSA-N 1 2 297.358 3.332 20 30 CGEDLO CC[N@@H+](Cc1cc(C(C)=O)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000568468201 322210225 /nfs/dbraw/zinc/21/02/25/322210225.db2.gz CYYKSRWBKOQVOI-LBPRGKRZSA-N 1 2 297.358 3.332 20 30 CGEDLO C=CC[N@@H+](CC(=O)NCCCCC)Cc1cccs1 ZINC000050274489 328394621 /nfs/dbraw/zinc/39/46/21/328394621.db2.gz JZAUOVCSGGLAEO-UHFFFAOYSA-N 1 2 280.437 3.043 20 30 CGEDLO C=CC[N@H+](CC(=O)NCCCCC)Cc1cccs1 ZINC000050274489 328394622 /nfs/dbraw/zinc/39/46/22/328394622.db2.gz JZAUOVCSGGLAEO-UHFFFAOYSA-N 1 2 280.437 3.043 20 30 CGEDLO C/C(Cl)=C/C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000528415073 326877887 /nfs/dbraw/zinc/87/78/87/326877887.db2.gz CFWSRYVIIAZSPZ-VFXTVZEFSA-N 1 2 289.810 3.011 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C)s1)c1ccco1 ZINC000560547915 327323270 /nfs/dbraw/zinc/32/32/70/327323270.db2.gz IDHORZWHAALINO-LLVKDONJSA-N 1 2 263.366 3.237 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000560714445 327338564 /nfs/dbraw/zinc/33/85/64/327338564.db2.gz KYFMLZQNKZOYPJ-NHYWBVRUSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000560714445 327338566 /nfs/dbraw/zinc/33/85/66/327338566.db2.gz KYFMLZQNKZOYPJ-NHYWBVRUSA-N 1 2 280.318 3.030 20 30 CGEDLO C[N@H+](Cc1csc(Br)c1)CC(C)(C)C#N ZINC000354039594 327372340 /nfs/dbraw/zinc/37/23/40/327372340.db2.gz NOLPEPMSVBBMPX-UHFFFAOYSA-N 1 2 287.226 3.492 20 30 CGEDLO C[N@@H+](Cc1csc(Br)c1)CC(C)(C)C#N ZINC000354039594 327372342 /nfs/dbraw/zinc/37/23/42/327372342.db2.gz NOLPEPMSVBBMPX-UHFFFAOYSA-N 1 2 287.226 3.492 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000562866242 327520749 /nfs/dbraw/zinc/52/07/49/327520749.db2.gz MLVUCFVBLNALNT-IUODEOHRSA-N 1 2 287.338 3.073 20 30 CGEDLO N#C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CCN1C1CC1 ZINC000360093104 329071566 /nfs/dbraw/zinc/07/15/66/329071566.db2.gz PFYRMYYUXAKSEI-GOSISDBHSA-N 1 2 291.398 3.012 20 30 CGEDLO N#C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CCN1C1CC1 ZINC000360093104 329071567 /nfs/dbraw/zinc/07/15/67/329071567.db2.gz PFYRMYYUXAKSEI-GOSISDBHSA-N 1 2 291.398 3.012 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000583120084 329319675 /nfs/dbraw/zinc/31/96/75/329319675.db2.gz NQVRNLYWSPPPOP-GFCCVEGCSA-N 1 2 271.339 3.236 20 30 CGEDLO C=CC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000111693279 329541360 /nfs/dbraw/zinc/54/13/60/329541360.db2.gz CLJZMQQHBYKUPE-UHFFFAOYSA-N 1 2 275.377 3.196 20 30 CGEDLO C=CCn1c(C)nnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000255930081 329966614 /nfs/dbraw/zinc/96/66/14/329966614.db2.gz WCRADVIBDAPVMU-UHFFFAOYSA-N 1 2 299.403 3.021 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000533138784 330350422 /nfs/dbraw/zinc/35/04/22/330350422.db2.gz UZGWGAVFFHRMNJ-SNVBAGLBSA-N 1 2 292.766 3.193 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000533138784 330350423 /nfs/dbraw/zinc/35/04/23/330350423.db2.gz UZGWGAVFFHRMNJ-SNVBAGLBSA-N 1 2 292.766 3.193 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000424574731 330384919 /nfs/dbraw/zinc/38/49/19/330384919.db2.gz XFZPABYJVMEFNO-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(N(C)CCC#N)c2c1 ZINC000450210017 330965949 /nfs/dbraw/zinc/96/59/49/330965949.db2.gz ZDHCAXZVDNQEDK-UHFFFAOYSA-N 1 2 269.348 3.372 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(F)c1F ZINC000450691581 330994007 /nfs/dbraw/zinc/99/40/07/330994007.db2.gz KPSJCEXRFIPQIN-SNVBAGLBSA-N 1 2 250.292 3.309 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450859154 331003370 /nfs/dbraw/zinc/00/33/70/331003370.db2.gz MGDFNAGMRIXOKE-SJORKVTESA-N 1 2 286.419 3.258 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450859154 331003371 /nfs/dbraw/zinc/00/33/71/331003371.db2.gz MGDFNAGMRIXOKE-SJORKVTESA-N 1 2 286.419 3.258 20 30 CGEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1Cl ZINC000451063139 331014297 /nfs/dbraw/zinc/01/42/97/331014297.db2.gz LIQIMRJYURFOQH-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1Cl ZINC000451063139 331014298 /nfs/dbraw/zinc/01/42/98/331014298.db2.gz LIQIMRJYURFOQH-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C[C@H](C)C#N)C2CC2)c(C)[nH+]1 ZINC000455494695 331171072 /nfs/dbraw/zinc/17/10/72/331171072.db2.gz NOAGBQKUTAWQTF-SNVBAGLBSA-N 1 2 286.379 3.163 20 30 CGEDLO C=CC[C@@H](C(=O)Nc1cc[nH+]cc1CC)c1ccccc1 ZINC000488828691 332027789 /nfs/dbraw/zinc/02/77/89/332027789.db2.gz NPFATJJPSHJDBS-MRXNPFEDSA-N 1 2 280.371 3.364 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000489073132 332040207 /nfs/dbraw/zinc/04/02/07/332040207.db2.gz MFODXLRLUXGWHH-UHFFFAOYSA-N 1 2 292.342 3.112 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1CC)c1ccc(Cl)cc1F ZINC000491307301 332186957 /nfs/dbraw/zinc/18/69/57/332186957.db2.gz PRKSXCRCGWNIFW-HNNXBMFYSA-N 1 2 291.757 3.160 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)C1CC1 ZINC000491328035 332191711 /nfs/dbraw/zinc/19/17/11/332191711.db2.gz ZVHQTEXRUVZLLJ-UHFFFAOYSA-N 1 2 272.373 3.309 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccc(C)o2)n1)C1CC1 ZINC000491328035 332191712 /nfs/dbraw/zinc/19/17/12/332191712.db2.gz ZVHQTEXRUVZLLJ-UHFFFAOYSA-N 1 2 272.373 3.309 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000491544109 332234364 /nfs/dbraw/zinc/23/43/64/332234364.db2.gz KGWJRKBNWHLZBS-LLVKDONJSA-N 1 2 266.410 3.084 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000491544109 332234365 /nfs/dbraw/zinc/23/43/65/332234365.db2.gz KGWJRKBNWHLZBS-LLVKDONJSA-N 1 2 266.410 3.084 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000491682935 332285642 /nfs/dbraw/zinc/28/56/42/332285642.db2.gz VSIPVVQUIHVYCS-CYBMUJFWSA-N 1 2 290.319 3.260 20 30 CGEDLO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185864298 333150586 /nfs/dbraw/zinc/15/05/86/333150586.db2.gz PNAJMIIJLDGCEJ-RDBSUJKOSA-N 1 2 280.412 3.025 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000192184868 333231791 /nfs/dbraw/zinc/23/17/91/333231791.db2.gz LTIGUBGKNABWRY-CYBMUJFWSA-N 1 2 283.375 3.069 20 30 CGEDLO C=CCCCCC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000234559773 333361043 /nfs/dbraw/zinc/36/10/43/333361043.db2.gz ZDSDVPPHPPGCHF-OAHLLOKOSA-N 1 2 261.365 3.237 20 30 CGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000543623422 333885256 /nfs/dbraw/zinc/88/52/56/333885256.db2.gz CDZRJAOMHAUMCN-NSHDSACASA-N 1 2 288.782 3.083 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000550502147 334223524 /nfs/dbraw/zinc/22/35/24/334223524.db2.gz DJTWNWIBEIBJIA-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000550502147 334223526 /nfs/dbraw/zinc/22/35/26/334223526.db2.gz DJTWNWIBEIBJIA-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO N#CCC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000564640297 334514812 /nfs/dbraw/zinc/51/48/12/334514812.db2.gz JOBKECKHTBENKH-UHFFFAOYSA-N 1 2 296.330 3.273 20 30 CGEDLO C=CCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC000568096041 334791640 /nfs/dbraw/zinc/79/16/40/334791640.db2.gz NSAVQAUNIYHBNZ-AWEZNQCLSA-N 1 2 275.396 3.229 20 30 CGEDLO C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000381068982 336048823 /nfs/dbraw/zinc/04/88/23/336048823.db2.gz UHBYNOIEGOIHNK-RNCFNFMXSA-N 1 2 256.284 3.012 20 30 CGEDLO N#CC[N@H+](C[C@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000602478616 501029555 /nfs/dbraw/zinc/02/95/55/501029555.db2.gz QXPAOVCWKAADMX-INIZCTEOSA-N 1 2 283.419 3.281 20 30 CGEDLO N#CC[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000602478616 501029559 /nfs/dbraw/zinc/02/95/59/501029559.db2.gz QXPAOVCWKAADMX-INIZCTEOSA-N 1 2 283.419 3.281 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(CCC#N)CC2CC2)c(C)[nH+]1 ZINC000331823476 534073286 /nfs/dbraw/zinc/07/32/86/534073286.db2.gz IJTOPNWEIIWJTG-UHFFFAOYSA-N 1 2 286.379 3.164 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000330066905 534218804 /nfs/dbraw/zinc/21/88/04/534218804.db2.gz TZZSEWYHTGJTJH-AAEUAGOBSA-N 1 2 285.347 3.398 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1cc(C)[nH]c1C ZINC000352700019 526324694 /nfs/dbraw/zinc/32/46/94/526324694.db2.gz KDABVZJKARUJOC-UHFFFAOYSA-N 1 2 286.375 3.138 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1cc(C)[nH]c1C ZINC000352700019 526324699 /nfs/dbraw/zinc/32/46/99/526324699.db2.gz KDABVZJKARUJOC-UHFFFAOYSA-N 1 2 286.375 3.138 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(F)c1 ZINC000344700314 526346794 /nfs/dbraw/zinc/34/67/94/526346794.db2.gz JVHBFRZWZIGGKG-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(F)c1 ZINC000344700314 526346801 /nfs/dbraw/zinc/34/68/01/526346801.db2.gz JVHBFRZWZIGGKG-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000352797810 526560446 /nfs/dbraw/zinc/56/04/46/526560446.db2.gz CKZBPMJUVBADBO-UHFFFAOYSA-N 1 2 289.350 3.489 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000352797810 526560450 /nfs/dbraw/zinc/56/04/50/526560450.db2.gz CKZBPMJUVBADBO-UHFFFAOYSA-N 1 2 289.350 3.489 20 30 CGEDLO C=CC1CC[NH+]([C@H](C)c2ncc(Br)cn2)CC1 ZINC000335959104 526983454 /nfs/dbraw/zinc/98/34/54/526983454.db2.gz IVOXSXRPCGBRMK-SNVBAGLBSA-N 1 2 296.212 3.198 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000355449480 527646561 /nfs/dbraw/zinc/64/65/61/527646561.db2.gz QZKISXOLAPNOEW-OAHLLOKOSA-N 1 2 272.392 3.102 20 30 CGEDLO CCN(C)c1ccc(CNc2cc(C#N)ccc2OC)c[nH+]1 ZINC000361585765 527870348 /nfs/dbraw/zinc/87/03/48/527870348.db2.gz KATVNXIQJOWLHR-UHFFFAOYSA-N 1 2 296.374 3.030 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnc(C)o1 ZINC000411170504 528135520 /nfs/dbraw/zinc/13/55/20/528135520.db2.gz XJNUVJAIDINOHY-GFCCVEGCSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnc(C)o1 ZINC000411170504 528135527 /nfs/dbraw/zinc/13/55/27/528135527.db2.gz XJNUVJAIDINOHY-GFCCVEGCSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000356082479 528154159 /nfs/dbraw/zinc/15/41/59/528154159.db2.gz ICDZBVNOUYILBT-UHFFFAOYSA-N 1 2 296.399 3.299 20 30 CGEDLO CCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000356082479 528154163 /nfs/dbraw/zinc/15/41/63/528154163.db2.gz ICDZBVNOUYILBT-UHFFFAOYSA-N 1 2 296.399 3.299 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439422927 528747747 /nfs/dbraw/zinc/74/77/47/528747747.db2.gz OEZIHPAJRFRTIF-HNNXBMFYSA-N 1 2 278.783 3.068 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439422927 528747753 /nfs/dbraw/zinc/74/77/53/528747753.db2.gz OEZIHPAJRFRTIF-HNNXBMFYSA-N 1 2 278.783 3.068 20 30 CGEDLO CC[N@H+](Cc1occc1C)Cc1ccccc1C#N ZINC000412048289 528917671 /nfs/dbraw/zinc/91/76/71/528917671.db2.gz WMFAKBLYPAQUOV-UHFFFAOYSA-N 1 2 254.333 3.482 20 30 CGEDLO CC[N@@H+](Cc1occc1C)Cc1ccccc1C#N ZINC000412048289 528917681 /nfs/dbraw/zinc/91/76/81/528917681.db2.gz WMFAKBLYPAQUOV-UHFFFAOYSA-N 1 2 254.333 3.482 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1nccs1 ZINC000428345289 529186050 /nfs/dbraw/zinc/18/60/50/529186050.db2.gz DRYGJFXRYSUTSJ-CYBMUJFWSA-N 1 2 275.352 3.395 20 30 CGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1C)c1ccc(N)cc1 ZINC000727973692 571781801 /nfs/dbraw/zinc/78/18/01/571781801.db2.gz XLRIQZZTYFEULC-UHFFFAOYSA-N 1 2 284.319 3.322 20 30 CGEDLO CCCOC(=O)CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000730147185 571951139 /nfs/dbraw/zinc/95/11/39/571951139.db2.gz MGDWOHWHKWQPPN-PDGQHHTCSA-N 1 2 285.343 3.308 20 30 CGEDLO O=C1c2cc(Cl)cc(Cl)c2OC/C1=C/c1[nH]cc[nH+]1 ZINC000731157694 572398984 /nfs/dbraw/zinc/39/89/84/572398984.db2.gz ZTQRMHYOTCBJEF-CLTKARDFSA-N 1 2 295.125 3.375 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(F)cc2c1OCOC2 ZINC000739913868 572426562 /nfs/dbraw/zinc/42/65/62/572426562.db2.gz BXKVGRWCSZSXAW-UHFFFAOYSA-N 1 2 292.354 3.064 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(F)cc2c1OCOC2 ZINC000739913868 572426566 /nfs/dbraw/zinc/42/65/66/572426566.db2.gz BXKVGRWCSZSXAW-UHFFFAOYSA-N 1 2 292.354 3.064 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C/c2cccc(OC)c2O)c1 ZINC000732925596 572492335 /nfs/dbraw/zinc/49/23/35/572492335.db2.gz AJCBENJJQPFNJL-KZKLBEMASA-N 1 2 299.370 3.460 20 30 CGEDLO CCCCCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733983238 572622949 /nfs/dbraw/zinc/62/29/49/572622949.db2.gz JUYRYSIKXVEESH-UHFFFAOYSA-N 1 2 263.385 3.017 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCc2ccc3ccccc3n2)c1O ZINC000743538175 572669924 /nfs/dbraw/zinc/66/99/24/572669924.db2.gz HTCQYKBFNYEORT-XDHOZWIPSA-N 1 2 292.338 3.308 20 30 CGEDLO CCC(CC)[C@H](CC/[NH+]=C/c1cccc(O)c1O)OC ZINC000746523856 572876098 /nfs/dbraw/zinc/87/60/98/572876098.db2.gz ZDUZZKDAPBRHFW-VUVCFOEZSA-N 1 2 279.380 3.358 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCCOCC2CC2)c(O)c1 ZINC000747714978 572942841 /nfs/dbraw/zinc/94/28/41/572942841.db2.gz AOAWWBKAVWHQFD-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO C=CCCCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000748233588 572969180 /nfs/dbraw/zinc/96/91/80/572969180.db2.gz FRSYAOOYBKVMFF-UHFFFAOYSA-N 1 2 258.321 3.042 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@H](C)c2ccncc2)c1 ZINC000749845711 573047160 /nfs/dbraw/zinc/04/71/60/573047160.db2.gz TVRKHSQHKHOIAJ-QXGSTRBFSA-N 1 2 284.359 3.409 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)C(C)(C)C ZINC000894518062 619561326 /nfs/dbraw/zinc/56/13/26/619561326.db2.gz VPBROJSHMSDFFC-SECBINFHSA-N 1 2 276.327 3.299 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(C)c2C)C1 ZINC000950416349 613297467 /nfs/dbraw/zinc/29/74/67/613297467.db2.gz KCZXUHAXQNZBDB-UHFFFAOYSA-N 1 2 292.448 3.087 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC000957843014 613319723 /nfs/dbraw/zinc/31/97/23/613319723.db2.gz TWUKWHTUZNGANJ-GOSISDBHSA-N 1 2 290.451 3.233 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970768196 613371538 /nfs/dbraw/zinc/37/15/38/613371538.db2.gz COCZWEHQKDBYGQ-MRVWCRGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000981895588 613373700 /nfs/dbraw/zinc/37/37/00/613373700.db2.gz PPWKZNKGHWNXRO-HUUCEWRRSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000981895588 613373701 /nfs/dbraw/zinc/37/37/01/613373701.db2.gz PPWKZNKGHWNXRO-HUUCEWRRSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975032710 613379982 /nfs/dbraw/zinc/37/99/82/613379982.db2.gz YUIRWRYRFNGDCL-MGPQQGTHSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975032710 613379983 /nfs/dbraw/zinc/37/99/83/613379983.db2.gz YUIRWRYRFNGDCL-MGPQQGTHSA-N 1 2 298.858 3.002 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CCc1nc2c(s1)CCCC2 ZINC000255195113 618056210 /nfs/dbraw/zinc/05/62/10/618056210.db2.gz CDEBNQZSLDGZET-BOPFTXTBSA-N 1 2 286.400 3.389 20 30 CGEDLO Cc1cccc(C)c1C[N@H+](C)Cc1ccncc1C#N ZINC000933764053 618317430 /nfs/dbraw/zinc/31/74/30/618317430.db2.gz KHNZKLWABRRXHN-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1cccc(C)c1C[N@@H+](C)Cc1ccncc1C#N ZINC000933764053 618317438 /nfs/dbraw/zinc/31/74/38/618317438.db2.gz KHNZKLWABRRXHN-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934511049 618636559 /nfs/dbraw/zinc/63/65/59/618636559.db2.gz HXPRCOSUSRWNLW-CQSZACIVSA-N 1 2 283.400 3.193 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934511049 618636562 /nfs/dbraw/zinc/63/65/62/618636562.db2.gz HXPRCOSUSRWNLW-CQSZACIVSA-N 1 2 283.400 3.193 20 30 CGEDLO Cc1ccc(CCC/[NH+]=C/c2ccc(O)c(O)c2O)c(C)c1 ZINC000017309559 619508477 /nfs/dbraw/zinc/50/84/77/619508477.db2.gz RHNDYFIRDMNRPD-YBFXNURJSA-N 1 2 299.370 3.472 20 30 CGEDLO N#CCC1C[NH+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000895344281 619809030 /nfs/dbraw/zinc/80/90/30/619809030.db2.gz NQMJLFYZKCQHPI-UHFFFAOYSA-N 1 2 269.175 3.381 20 30 CGEDLO N#Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000895355212 619811438 /nfs/dbraw/zinc/81/14/38/619811438.db2.gz JRRYZKACSQYDEP-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO CCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000895404143 619823592 /nfs/dbraw/zinc/82/35/92/619823592.db2.gz QCWRDTKMNWOAMH-UHFFFAOYSA-N 1 2 262.353 3.242 20 30 CGEDLO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896502406 620018379 /nfs/dbraw/zinc/01/83/79/620018379.db2.gz KDQASWUXSXYJNH-INIZCTEOSA-N 1 2 283.375 3.105 20 30 CGEDLO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896502406 620018383 /nfs/dbraw/zinc/01/83/83/620018383.db2.gz KDQASWUXSXYJNH-INIZCTEOSA-N 1 2 283.375 3.105 20 30 CGEDLO N#CCCCOc1cccc(C[N@@H+]2CCn3cccc3C2)c1 ZINC000896761845 620057821 /nfs/dbraw/zinc/05/78/21/620057821.db2.gz WGXOQXXUJFCSNM-UHFFFAOYSA-N 1 2 295.386 3.186 20 30 CGEDLO N#CCCCOc1cccc(C[N@H+]2CCn3cccc3C2)c1 ZINC000896761845 620057825 /nfs/dbraw/zinc/05/78/25/620057825.db2.gz WGXOQXXUJFCSNM-UHFFFAOYSA-N 1 2 295.386 3.186 20 30 CGEDLO O=C1C=COC2(CCN(c3[nH+]ccc4ccccc43)CC2)C1 ZINC000896881958 620083912 /nfs/dbraw/zinc/08/39/12/620083912.db2.gz JGTMCBUTXFSMAE-UHFFFAOYSA-N 1 2 294.354 3.077 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000840708508 620095243 /nfs/dbraw/zinc/09/52/43/620095243.db2.gz XPGOFGGZWPJHRL-FDIDITGRSA-N 1 2 289.375 3.169 20 30 CGEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000751124946 620121902 /nfs/dbraw/zinc/12/19/02/620121902.db2.gz XQYSNBZNUJNYJW-UHFFFAOYSA-N 1 2 279.343 3.108 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(Cl)c1O ZINC000898215837 620489003 /nfs/dbraw/zinc/48/90/03/620489003.db2.gz RTUVNRXQYJZJLT-JTQLQIEISA-N 1 2 266.772 3.464 20 30 CGEDLO CC(C)(C/[NH+]=C\c1ccccc1O)C1CCOCC1 ZINC000899230768 620628276 /nfs/dbraw/zinc/62/82/76/620628276.db2.gz KLRSNHQGZOSIRR-BOPFTXTBSA-N 1 2 261.365 3.264 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(N(C)C)cc1 ZINC000901437933 620887770 /nfs/dbraw/zinc/88/77/70/620887770.db2.gz WDKQEJQYFUDMDJ-MDZDMXLPSA-N 1 2 283.375 3.426 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)C1CCCCC1 ZINC000901444913 620889342 /nfs/dbraw/zinc/88/93/42/620889342.db2.gz JVACTQVQAWBFOC-MDZDMXLPSA-N 1 2 254.333 3.497 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/Cc2ccc(C)cc2C1=O ZINC000901474022 620890716 /nfs/dbraw/zinc/89/07/16/620890716.db2.gz SAEDLLZPZWOAOM-JYRVWZFOSA-N 1 2 252.317 3.034 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2c(c(F)ccc2O)[C@@H]1C ZINC000901454763 620893267 /nfs/dbraw/zinc/89/32/67/620893267.db2.gz WPIUJFPFIIPAEC-NJQKBMNKSA-N 1 2 286.306 3.131 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901468605 620896653 /nfs/dbraw/zinc/89/66/53/620896653.db2.gz NQLLQZPNTAVILA-BQYQJAHWSA-N 1 2 286.379 3.317 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc(C#N)ccn1 ZINC000902881768 621482771 /nfs/dbraw/zinc/48/27/71/621482771.db2.gz QWUQMGBWFZPDPR-SNVBAGLBSA-N 1 2 284.388 3.138 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cc(F)cc(F)c1O ZINC000903109564 621582763 /nfs/dbraw/zinc/58/27/63/621582763.db2.gz RLBZFQOVPYJCPC-JTQLQIEISA-N 1 2 280.318 3.405 20 30 CGEDLO CCc1nc(C)c([C@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000903262271 621648031 /nfs/dbraw/zinc/64/80/31/621648031.db2.gz CGKUMUKAHJZMAI-QMMMGPOBSA-N 1 2 292.433 3.193 20 30 CGEDLO CC[N@H+](Cc1cn(C2CC2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000906259088 622210111 /nfs/dbraw/zinc/21/01/11/622210111.db2.gz UQNCSBAIGQWNKW-CYBMUJFWSA-N 1 2 295.390 3.068 20 30 CGEDLO CC[N@@H+](Cc1cn(C2CC2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000906259088 622210114 /nfs/dbraw/zinc/21/01/14/622210114.db2.gz UQNCSBAIGQWNKW-CYBMUJFWSA-N 1 2 295.390 3.068 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906588401 622250320 /nfs/dbraw/zinc/25/03/20/622250320.db2.gz QYUBIYSYPLVIDX-HRCADAONSA-N 1 2 258.340 3.307 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906588401 622250323 /nfs/dbraw/zinc/25/03/23/622250323.db2.gz QYUBIYSYPLVIDX-HRCADAONSA-N 1 2 258.340 3.307 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cnn(C(C)C)c3)n2c1 ZINC000151417646 622782853 /nfs/dbraw/zinc/78/28/53/622782853.db2.gz KTWXHQGWJNVZPM-AATRIKPKSA-N 1 2 294.358 3.316 20 30 CGEDLO Cc1cccn2c(C=C3C(=O)c4ccccc4C3=O)c[nH+]c12 ZINC000172690801 623271339 /nfs/dbraw/zinc/27/13/39/623271339.db2.gz RAGCMUPKEURWNS-UHFFFAOYSA-N 1 2 288.306 3.105 20 30 CGEDLO C=CCC(C)(C)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913712337 623565998 /nfs/dbraw/zinc/56/59/98/623565998.db2.gz QFJPFSTZOGCNDQ-UHFFFAOYSA-N 1 2 297.402 3.269 20 30 CGEDLO N#CC[N@@H+](Cc1cc2c(cc1O)CCC2)C1CCCC1 ZINC000153412679 623877455 /nfs/dbraw/zinc/87/74/55/623877455.db2.gz WMIUNCUJDYGTQW-UHFFFAOYSA-N 1 2 270.376 3.149 20 30 CGEDLO N#CC[N@H+](Cc1cc2c(cc1O)CCC2)C1CCCC1 ZINC000153412679 623877457 /nfs/dbraw/zinc/87/74/57/623877457.db2.gz WMIUNCUJDYGTQW-UHFFFAOYSA-N 1 2 270.376 3.149 20 30 CGEDLO c1ccc(CON=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000915959764 624079776 /nfs/dbraw/zinc/07/97/76/624079776.db2.gz JHZVXHRUKBSWEE-UHFFFAOYSA-N 1 2 281.359 3.255 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(CCOC)CCC2)c1 ZINC000155035664 624414596 /nfs/dbraw/zinc/41/45/96/624414596.db2.gz WBTHVIUUJKDHHM-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO O=C1c2cc(Cl)ccc2SC/C1=C\c1[nH]cc[nH+]1 ZINC000920243465 624465343 /nfs/dbraw/zinc/46/53/43/624465343.db2.gz JGGOTBCKDOPXCC-VMPITWQZSA-N 1 2 276.748 3.435 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCc2ccccc2C)c1 ZINC000920944679 624556108 /nfs/dbraw/zinc/55/61/08/624556108.db2.gz HXURZJGOYFQKME-PDGQHHTCSA-N 1 2 269.344 3.371 20 30 CGEDLO COc1cccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000180308133 624735398 /nfs/dbraw/zinc/73/53/98/624735398.db2.gz DUNSQONMYRTYTP-CMDGGOBGSA-N 1 2 278.311 3.239 20 30 CGEDLO C=CCCC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000921644172 625782324 /nfs/dbraw/zinc/78/23/24/625782324.db2.gz HNVNYWVTNNCNDJ-OAHLLOKOSA-N 1 2 283.375 3.166 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2csc(C#N)c2)s1 ZINC000921817030 625886524 /nfs/dbraw/zinc/88/65/24/625886524.db2.gz VWHWUFFGMJDDBE-VIFPVBQESA-N 1 2 263.391 3.236 20 30 CGEDLO Cc1[nH]c[nH+]c1CN=Nc1cc(C(F)(F)F)ccc1F ZINC000755814091 626649486 /nfs/dbraw/zinc/64/94/86/626649486.db2.gz JNUWNUIXYDLPGJ-UHFFFAOYSA-N 1 2 286.232 3.322 20 30 CGEDLO COc1cc(Cl)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000761207125 627025296 /nfs/dbraw/zinc/02/52/96/627025296.db2.gz YFSXWXKROIKRBK-JTQLQIEISA-N 1 2 294.782 3.178 20 30 CGEDLO COc1cc(Cl)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000761207125 627025297 /nfs/dbraw/zinc/02/52/97/627025297.db2.gz YFSXWXKROIKRBK-JTQLQIEISA-N 1 2 294.782 3.178 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762138140 627094128 /nfs/dbraw/zinc/09/41/28/627094128.db2.gz BRUGYFFKXLPQND-LBPRGKRZSA-N 1 2 292.452 3.131 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1=S ZINC000762138140 627094133 /nfs/dbraw/zinc/09/41/33/627094133.db2.gz BRUGYFFKXLPQND-LBPRGKRZSA-N 1 2 292.452 3.131 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c(O)cccc2Cl)c1 ZINC000767290690 627397155 /nfs/dbraw/zinc/39/71/55/627397155.db2.gz KOMKKQPECBHCIF-UHFFFAOYSA-N 1 2 273.723 3.119 20 30 CGEDLO CCn1nc(C)c(C(=O)/C=C/c2cccc3[nH+]ccn32)c1C ZINC000769607074 627569397 /nfs/dbraw/zinc/56/93/97/627569397.db2.gz HTVFFOWNJHDIPG-CMDGGOBGSA-N 1 2 294.358 3.064 20 30 CGEDLO Cc1ccoc1C(=O)/C=C/c1c[nH+]c2cccc(C)n12 ZINC000769784458 627577994 /nfs/dbraw/zinc/57/79/94/627577994.db2.gz VVHSGMOTTKCMOE-VOTSOKGWSA-N 1 2 266.300 3.440 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000769977277 627594105 /nfs/dbraw/zinc/59/41/05/627594105.db2.gz DGFRKLLSPNSLIO-KGLIPLIRSA-N 1 2 272.392 3.092 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000769977277 627594115 /nfs/dbraw/zinc/59/41/15/627594115.db2.gz DGFRKLLSPNSLIO-KGLIPLIRSA-N 1 2 272.392 3.092 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000769977318 627594416 /nfs/dbraw/zinc/59/44/16/627594416.db2.gz FXACFNHBTVJKJQ-MRXNPFEDSA-N 1 2 298.430 3.306 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000769977318 627594417 /nfs/dbraw/zinc/59/44/17/627594417.db2.gz FXACFNHBTVJKJQ-MRXNPFEDSA-N 1 2 298.430 3.306 20 30 CGEDLO Cc1cccn2c(CN=Nc3nccnc3C(C)C)c[nH+]c12 ZINC000773094546 627854696 /nfs/dbraw/zinc/85/46/96/627854696.db2.gz QTLSQBSBNUHUDC-UHFFFAOYSA-N 1 2 294.362 3.002 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCC[C@@H]2OC)c1O ZINC000774541953 628004230 /nfs/dbraw/zinc/00/42/30/628004230.db2.gz MXEPEHMHDOXXCB-VJXRCLRWSA-N 1 2 277.364 3.025 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1C(C)(C)C ZINC000775644044 628118404 /nfs/dbraw/zinc/11/84/04/628118404.db2.gz YAHONIGXABHCEV-UHFFFAOYSA-N 1 2 276.428 3.089 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1C(C)(C)C ZINC000775644044 628118405 /nfs/dbraw/zinc/11/84/05/628118405.db2.gz YAHONIGXABHCEV-UHFFFAOYSA-N 1 2 276.428 3.089 20 30 CGEDLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(C#N)o1)CCC2 ZINC000780763834 628515436 /nfs/dbraw/zinc/51/54/36/628515436.db2.gz DZNGMMYBGBYLPA-OAHLLOKOSA-N 1 2 284.363 3.096 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccnc(Cl)c1 ZINC000782195013 628623550 /nfs/dbraw/zinc/62/35/50/628623550.db2.gz UKSXLLOWCPCKDH-PLNGDYQASA-N 1 2 283.718 3.279 20 30 CGEDLO Cc1cc(CO[NH+]=C(N)Cc2cccc(F)c2)ccc1C#N ZINC000783147241 628680892 /nfs/dbraw/zinc/68/08/92/628680892.db2.gz GHQVTUNFOCOOSH-UHFFFAOYSA-N 1 2 297.333 3.247 20 30 CGEDLO Cc1cccn2c(/C=C3/Cc4c(cccc4O)C3=O)c[nH+]c12 ZINC000125330494 634683760 /nfs/dbraw/zinc/68/37/60/634683760.db2.gz RJALYQGLMSLNDY-WQLSENKSSA-N 1 2 290.322 3.171 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cncs1 ZINC000787170980 628997949 /nfs/dbraw/zinc/99/79/49/628997949.db2.gz FJFWDFGMUOODBS-UPHRSURJSA-N 1 2 287.369 3.286 20 30 CGEDLO C=CCC[C@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccccc1 ZINC000792159183 629341267 /nfs/dbraw/zinc/34/12/67/629341267.db2.gz ULSRSFFRLNAMIZ-INIZCTEOSA-N 1 2 296.370 3.457 20 30 CGEDLO CC[C@@H](C)CON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000793147001 629416445 /nfs/dbraw/zinc/41/64/45/629416445.db2.gz XHJDBHMXPFKGQB-CYBMUJFWSA-N 1 2 260.381 3.441 20 30 CGEDLO O=C1c2cc(O)ccc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000794959465 629606544 /nfs/dbraw/zinc/60/65/44/629606544.db2.gz AOJUCFZZHDTKMZ-LCYFTJDESA-N 1 2 290.322 3.252 20 30 CGEDLO C=CC1CC[NH+](CN2Cc3c(cccc3Cl)C2=O)CC1 ZINC000795423395 629673584 /nfs/dbraw/zinc/67/35/84/629673584.db2.gz MYIVSZXQHCUQQR-UHFFFAOYSA-N 1 2 290.794 3.151 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H]2CCCOC2)c1 ZINC000864344817 629814514 /nfs/dbraw/zinc/81/45/14/629814514.db2.gz HOISXPJSLSTLPK-VVBXCHJUSA-N 1 2 277.364 3.027 20 30 CGEDLO CC(C)(C)c1cn(Cc2cn3ccccc3c2C#N)c[nH+]1 ZINC000865376040 630086170 /nfs/dbraw/zinc/08/61/70/630086170.db2.gz WRXWAOQYHLSMET-UHFFFAOYSA-N 1 2 278.359 3.353 20 30 CGEDLO Cc1cc(Cn2c[nH+]c(C(C)(C)C)c2)ccc1C#N ZINC000865376319 630086596 /nfs/dbraw/zinc/08/65/96/630086596.db2.gz JAVRCXFFRJYHOG-UHFFFAOYSA-N 1 2 253.349 3.409 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000806542604 630565070 /nfs/dbraw/zinc/56/50/70/630565070.db2.gz UUDYIXWWNGYTMN-AWEZNQCLSA-N 1 2 279.428 3.075 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000840102064 630593475 /nfs/dbraw/zinc/59/34/75/630593475.db2.gz ZZKPYKYXSQWEBV-KRWDZBQOSA-N 1 2 298.365 3.203 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000840102064 630593478 /nfs/dbraw/zinc/59/34/78/630593478.db2.gz ZZKPYKYXSQWEBV-KRWDZBQOSA-N 1 2 298.365 3.203 20 30 CGEDLO COc1cc(F)c([C@H](C)[NH2+]CC(C)(C)C#N)cc1OC ZINC000809578274 630753932 /nfs/dbraw/zinc/75/39/32/630753932.db2.gz KHMPZHDGCSLKNG-JTQLQIEISA-N 1 2 280.343 3.043 20 30 CGEDLO C[NH+](C)c1ccc(N2CCC(=NOC3CCC3)CC2)cc1 ZINC000812238052 631228768 /nfs/dbraw/zinc/22/87/68/631228768.db2.gz KYFSHPANJKYKFY-UHFFFAOYSA-N 1 2 287.407 3.278 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)CC(C)(C)C#N)cc(=O)oc2c1C ZINC000814670200 631619107 /nfs/dbraw/zinc/61/91/07/631619107.db2.gz NQPYHCKZTBGPHK-UHFFFAOYSA-N 1 2 298.386 3.391 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)CC(C)(C)C#N)cc(=O)oc2c1C ZINC000814670200 631619109 /nfs/dbraw/zinc/61/91/09/631619109.db2.gz NQPYHCKZTBGPHK-UHFFFAOYSA-N 1 2 298.386 3.391 20 30 CGEDLO COc1cccc(N[NH+]=C(C)c2cc(N)ccc2F)c1 ZINC000814776936 631636722 /nfs/dbraw/zinc/63/67/22/631636722.db2.gz IOBGIIQHQDAYOG-UHFFFAOYSA-N 1 2 273.311 3.253 20 30 CGEDLO CCC(=[NH+]Nc1ccc2n[nH]cc2c1)c1cccc(N)c1 ZINC000814900398 631670303 /nfs/dbraw/zinc/67/03/03/631670303.db2.gz RFEJCRUCBONIBO-UHFFFAOYSA-N 1 2 279.347 3.371 20 30 CGEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000816602619 632021166 /nfs/dbraw/zinc/02/11/66/632021166.db2.gz FJLOFKKAKABUMB-WKILWMFISA-N 1 2 299.418 3.115 20 30 CGEDLO CCCCCCCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000823168868 633068929 /nfs/dbraw/zinc/06/89/29/633068929.db2.gz RSIUTCGKTZZLJZ-UHFFFAOYSA-N 1 2 265.401 3.161 20 30 CGEDLO CSC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866350032 633093516 /nfs/dbraw/zinc/09/35/16/633093516.db2.gz SQTOZGXLAWUJNX-LLVKDONJSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866385911 633115131 /nfs/dbraw/zinc/11/51/31/633115131.db2.gz SNLFJLUGDXQCEK-CHWSQXEVSA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1O ZINC000866389050 633116674 /nfs/dbraw/zinc/11/66/74/633116674.db2.gz BTLWCQDCKXXSME-PIGZYNQJSA-N 1 2 294.354 3.308 20 30 CGEDLO COc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1C ZINC000866393964 633120233 /nfs/dbraw/zinc/12/02/33/633120233.db2.gz UEHGNAGGGOLJDH-CYBMUJFWSA-N 1 2 296.370 3.432 20 30 CGEDLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617190 633127556 /nfs/dbraw/zinc/12/75/56/633127556.db2.gz GRVUGWPQRXFPEI-UONOGXRCSA-N 1 2 288.391 3.283 20 30 CGEDLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617190 633127559 /nfs/dbraw/zinc/12/75/59/633127559.db2.gz GRVUGWPQRXFPEI-UONOGXRCSA-N 1 2 288.391 3.283 20 30 CGEDLO CCCn1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)nn1 ZINC000876598517 634865825 /nfs/dbraw/zinc/86/58/25/634865825.db2.gz NVYBOMBJJVRIRW-CQSZACIVSA-N 1 2 297.406 3.143 20 30 CGEDLO CCCn1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)nn1 ZINC000876598517 634865829 /nfs/dbraw/zinc/86/58/29/634865829.db2.gz NVYBOMBJJVRIRW-CQSZACIVSA-N 1 2 297.406 3.143 20 30 CGEDLO C=CCC1(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCCC1 ZINC000826691005 633426417 /nfs/dbraw/zinc/42/64/17/633426417.db2.gz WTSQJDMEPWFHSR-KRWDZBQOSA-N 1 2 298.430 3.426 20 30 CGEDLO C=CCC1(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCCC1 ZINC000826691005 633426421 /nfs/dbraw/zinc/42/64/21/633426421.db2.gz WTSQJDMEPWFHSR-KRWDZBQOSA-N 1 2 298.430 3.426 20 30 CGEDLO C#Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC000827786254 633517394 /nfs/dbraw/zinc/51/73/94/633517394.db2.gz HSPPSLSSRSVMAV-DOMZBBRYSA-N 1 2 297.320 3.210 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC000827786254 633517396 /nfs/dbraw/zinc/51/73/96/633517396.db2.gz HSPPSLSSRSVMAV-DOMZBBRYSA-N 1 2 297.320 3.210 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000829805128 633789182 /nfs/dbraw/zinc/78/91/82/633789182.db2.gz PCNACZRDVUHUFK-SNVBAGLBSA-N 1 2 288.338 3.397 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000829805128 633789192 /nfs/dbraw/zinc/78/91/92/633789192.db2.gz PCNACZRDVUHUFK-SNVBAGLBSA-N 1 2 288.338 3.397 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000830284730 633846888 /nfs/dbraw/zinc/84/68/88/633846888.db2.gz QLMMQALBEKIQMH-UHFFFAOYSA-N 1 2 273.804 3.183 20 30 CGEDLO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]CCC#N)c1 ZINC000872246738 634087974 /nfs/dbraw/zinc/08/79/74/634087974.db2.gz RDEGSYRPPWMPKN-UHFFFAOYSA-N 1 2 293.342 3.176 20 30 CGEDLO O=[N+]([O-])c1ccc(N[NH2+]C=C2CC2(F)F)c(Cl)c1 ZINC000834953538 634293343 /nfs/dbraw/zinc/29/33/43/634293343.db2.gz AYQLCNNHHIAKIW-ZCFIWIBFSA-N 1 2 275.642 3.301 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000876792687 634900219 /nfs/dbraw/zinc/90/02/19/634900219.db2.gz YSRGVCYZJXXACA-LLVKDONJSA-N 1 2 287.363 3.336 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000876792687 634900224 /nfs/dbraw/zinc/90/02/24/634900224.db2.gz YSRGVCYZJXXACA-LLVKDONJSA-N 1 2 287.363 3.336 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878159015 635385961 /nfs/dbraw/zinc/38/59/61/635385961.db2.gz AZVFPKNSFSFDLB-CYBMUJFWSA-N 1 2 287.190 3.262 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878159015 635385964 /nfs/dbraw/zinc/38/59/64/635385964.db2.gz AZVFPKNSFSFDLB-CYBMUJFWSA-N 1 2 287.190 3.262 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(C)c(Br)s1 ZINC000878383842 635483280 /nfs/dbraw/zinc/48/32/80/635483280.db2.gz WVCJFYPPCLWLON-UHFFFAOYSA-N 1 2 275.215 3.222 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(C)c(Br)s1 ZINC000878383842 635483285 /nfs/dbraw/zinc/48/32/85/635483285.db2.gz WVCJFYPPCLWLON-UHFFFAOYSA-N 1 2 275.215 3.222 20 30 CGEDLO Cc1ncc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)s1 ZINC000879251903 635737088 /nfs/dbraw/zinc/73/70/88/635737088.db2.gz TUCFVRRGZZPIDB-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+](CC)CCC#N)cc1F ZINC000127618940 635741219 /nfs/dbraw/zinc/74/12/19/635741219.db2.gz UDOYWKCGPGRXBH-UHFFFAOYSA-N 1 2 277.387 3.407 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+](CC)CCC#N)cc1F ZINC000127618940 635741226 /nfs/dbraw/zinc/74/12/26/635741226.db2.gz UDOYWKCGPGRXBH-UHFFFAOYSA-N 1 2 277.387 3.407 20 30 CGEDLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328250 635760968 /nfs/dbraw/zinc/76/09/68/635760968.db2.gz ZEFBYWXUXWVFGP-XHDPSFHLSA-N 1 2 278.783 3.211 20 30 CGEDLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328250 635760974 /nfs/dbraw/zinc/76/09/74/635760974.db2.gz ZEFBYWXUXWVFGP-XHDPSFHLSA-N 1 2 278.783 3.211 20 30 CGEDLO C=CCC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000845493566 636040012 /nfs/dbraw/zinc/04/00/12/636040012.db2.gz KOOHFHJGWUJXHI-GXTWGEPZSA-N 1 2 262.353 3.122 20 30 CGEDLO CC(C)c1ccccc1C=NNCCCn1cc[nH+]c1 ZINC000848416584 636571911 /nfs/dbraw/zinc/57/19/11/636571911.db2.gz QGYHCMRFUXGYGY-UHFFFAOYSA-N 1 2 270.380 3.020 20 30 CGEDLO CC(C[C@H](C)CC(C)C)=NNCCCn1cc[nH+]c1 ZINC000848418885 636572812 /nfs/dbraw/zinc/57/28/12/636572812.db2.gz RCCXZWXJKHZXGT-CQSZACIVSA-N 1 2 264.417 3.311 20 30 CGEDLO CC(C)C1CCC(N=NCCCn2cc[nH+]c2)CC1 ZINC000848419096 636573366 /nfs/dbraw/zinc/57/33/66/636573366.db2.gz YMPYDIWWWLKYNZ-UHFFFAOYSA-N 1 2 262.401 3.065 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](CN2c3cccc4cccc(c34)C2=O)C1 ZINC000848493378 636580727 /nfs/dbraw/zinc/58/07/27/636580727.db2.gz MPBLGACQQWKMHD-CQSZACIVSA-N 1 2 290.366 3.103 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](CN2c3cccc4cccc(c34)C2=O)C1 ZINC000848493378 636580730 /nfs/dbraw/zinc/58/07/30/636580730.db2.gz MPBLGACQQWKMHD-CQSZACIVSA-N 1 2 290.366 3.103 20 30 CGEDLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(C#N)c(F)c1 ZINC000883312724 636661760 /nfs/dbraw/zinc/66/17/60/636661760.db2.gz LKAAIGSCTOSLGX-LBPRGKRZSA-N 1 2 296.349 3.217 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@H]1CCCOC1 ZINC000883352723 636694760 /nfs/dbraw/zinc/69/47/60/636694760.db2.gz GVWMXKWSPMUKPL-INWMFGNUSA-N 1 2 288.391 3.120 20 30 CGEDLO COC[C@@H](CC/[NH+]=C\c1c(O)ccc2ccccc21)OC ZINC000849170326 636762000 /nfs/dbraw/zinc/76/20/00/636762000.db2.gz OCBWAYCSBSLUGH-JVVDOCDTSA-N 1 2 287.359 3.016 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2CC(OC)C2)c(O)c1 ZINC000849171362 636764033 /nfs/dbraw/zinc/76/40/33/636764033.db2.gz UNZQTLVXBAABFG-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CCC1SCCS1 ZINC000852998241 637727885 /nfs/dbraw/zinc/72/78/85/637727885.db2.gz JFWVJNQFQJJGLE-LCYFTJDESA-N 1 2 253.392 3.007 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1CCSCC1 ZINC000853329932 637812144 /nfs/dbraw/zinc/81/21/44/637812144.db2.gz RWPAVTWTYPQNFI-UHFFFAOYSA-N 1 2 290.432 3.429 20 30 CGEDLO Cc1[nH]c(CN=Nc2ncnc(Cl)c2C(C)C)[nH+]c1C ZINC000853342988 637818383 /nfs/dbraw/zinc/81/83/83/637818383.db2.gz SGUDYNYMBVLRDI-UHFFFAOYSA-N 1 2 292.774 3.039 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C)n(CCC)c1=S ZINC000853597849 637871665 /nfs/dbraw/zinc/87/16/65/637871665.db2.gz HDCFUUYPXHXDRD-OKILXGFUSA-N 1 2 292.452 3.273 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)n(CCC)c1=S ZINC000853597849 637871671 /nfs/dbraw/zinc/87/16/71/637871671.db2.gz HDCFUUYPXHXDRD-OKILXGFUSA-N 1 2 292.452 3.273 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(C#N)c1O ZINC000924550065 638359466 /nfs/dbraw/zinc/35/94/66/638359466.db2.gz HQCZZHZMBIXPKG-IAGOWNOFSA-N 1 2 296.370 3.038 20 30 CGEDLO CCCCCCCC[C@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884285 638592573 /nfs/dbraw/zinc/59/25/73/638592573.db2.gz GIURUYJKAHJHST-LSDHHAIUSA-N 1 2 291.439 3.311 20 30 CGEDLO CC(C)[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000925924662 638655566 /nfs/dbraw/zinc/65/55/66/638655566.db2.gz XXTHRRFGDQXEKP-STQMWFEESA-N 1 2 282.428 3.271 20 30 CGEDLO COc1cc(C[NH2+][C@@H]2CCCc3oc(C)nc32)ccc1C#N ZINC000926448389 638772744 /nfs/dbraw/zinc/77/27/44/638772744.db2.gz DVASGSJNIYOSLU-CQSZACIVSA-N 1 2 297.358 3.031 20 30 CGEDLO C=C1CCC(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000926926235 638826319 /nfs/dbraw/zinc/82/63/19/638826319.db2.gz UOYPCJGLXUSUFA-MRXNPFEDSA-N 1 2 282.391 3.230 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](C)C#N ZINC000929429535 638924746 /nfs/dbraw/zinc/92/47/46/638924746.db2.gz MQSSJXSKEQLSIF-NSHDSACASA-N 1 2 261.756 3.193 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](C)C#N ZINC000929429535 638924749 /nfs/dbraw/zinc/92/47/49/638924749.db2.gz MQSSJXSKEQLSIF-NSHDSACASA-N 1 2 261.756 3.193 20 30 CGEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2c(C)cc(C#N)cc2C)n1 ZINC000930889546 639082493 /nfs/dbraw/zinc/08/24/93/639082493.db2.gz SEQNZSUSKQLRDV-GFCCVEGCSA-N 1 2 284.363 3.060 20 30 CGEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2c(C)cc(C#N)cc2C)n1 ZINC000930889546 639082494 /nfs/dbraw/zinc/08/24/94/639082494.db2.gz SEQNZSUSKQLRDV-GFCCVEGCSA-N 1 2 284.363 3.060 20 30 CGEDLO COC[C@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000194469180 640534048 /nfs/dbraw/zinc/53/40/48/640534048.db2.gz VPYFHNRMFGPAET-YXHQGMJNSA-N 1 2 257.333 3.247 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008448968 640950837 /nfs/dbraw/zinc/95/08/37/640950837.db2.gz MTZWPNVOTMOKMN-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008448968 640950841 /nfs/dbraw/zinc/95/08/41/640950841.db2.gz MTZWPNVOTMOKMN-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO CSc1nc(NCCc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC001156830963 805738217 /nfs/dbraw/zinc/73/82/17/805738217.db2.gz IRRPRJOOKLRDRI-UHFFFAOYSA-N 1 2 284.388 3.033 20 30 CGEDLO C=C(C)C(=O)OCCNc1cc(C)c2ccccc2[nH+]1 ZINC001157304511 805795288 /nfs/dbraw/zinc/79/52/88/805795288.db2.gz NREIEWFQVUNNQU-UHFFFAOYSA-N 1 2 270.332 3.074 20 30 CGEDLO COC(=O)c1ccc2cc[nH+]c(NCCCCC#N)c2c1 ZINC001157638271 805844717 /nfs/dbraw/zinc/84/47/17/805844717.db2.gz ZZWOERFESLTMQR-UHFFFAOYSA-N 1 2 283.331 3.127 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H](c2ccccn2)C(F)(F)F)c1 ZINC001157684907 805852224 /nfs/dbraw/zinc/85/22/24/805852224.db2.gz STQRDZSFJGUAAZ-ZDUSSCGKSA-N 1 2 292.264 3.258 20 30 CGEDLO C#C[C@](C)(CC)Nc1ccc2c(cc(OC)cc2OC)[nH+]1 ZINC001158742668 805994085 /nfs/dbraw/zinc/99/40/85/805994085.db2.gz KBTOFKPMUYMABH-QGZVFWFLSA-N 1 2 284.359 3.466 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252136321 806021748 /nfs/dbraw/zinc/02/17/48/806021748.db2.gz NXVAUAPVSVUMBM-CQSZACIVSA-N 1 2 297.443 3.394 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252140739 806024871 /nfs/dbraw/zinc/02/48/71/806024871.db2.gz SUYRNFAMMBKWHV-CABCVRRESA-N 1 2 287.444 3.029 20 30 CGEDLO C=CCCCNc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001159259848 806067106 /nfs/dbraw/zinc/06/71/06/806067106.db2.gz VFGKGDVIXCZINP-UHFFFAOYSA-N 1 2 270.332 3.400 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001252602084 806081491 /nfs/dbraw/zinc/08/14/91/806081491.db2.gz LHXHTCLYNSLAHI-CVEARBPZSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001252602084 806081503 /nfs/dbraw/zinc/08/15/03/806081503.db2.gz LHXHTCLYNSLAHI-CVEARBPZSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001253233575 806186645 /nfs/dbraw/zinc/18/66/45/806186645.db2.gz IMKUNQDRAAXOFM-HOCLYGCPSA-N 1 2 292.423 3.434 20 30 CGEDLO C[C@@H](NC(=O)CCCCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013053 806335359 /nfs/dbraw/zinc/33/53/59/806335359.db2.gz JVFZXKNXBZFADZ-CQSZACIVSA-N 1 2 296.374 3.133 20 30 CGEDLO Cn1c[nH+]c2ccc(N[C@H](C#N)c3ccccc3)cc21 ZINC001161718815 806432165 /nfs/dbraw/zinc/43/21/65/806432165.db2.gz UDTYUZOSMZYSNH-OAHLLOKOSA-N 1 2 262.316 3.250 20 30 CGEDLO N#CCc1cc[nH+]c(NC2(CC3CCC3)CCOCC2)c1 ZINC001161922368 806484103 /nfs/dbraw/zinc/48/41/03/806484103.db2.gz RWRMAXLDEQJBCU-UHFFFAOYSA-N 1 2 285.391 3.299 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+]C1CCSCC1 ZINC001255082082 806536904 /nfs/dbraw/zinc/53/69/04/806536904.db2.gz PEWJEXBNUSDKLE-UHFFFAOYSA-N 1 2 287.469 3.375 20 30 CGEDLO N#CC1(Nc2cc3c4c(c2)CCC[NH+]4CCC3)CCC1 ZINC001162312638 806553427 /nfs/dbraw/zinc/55/34/27/806553427.db2.gz GRTQVRUAYQYNOL-UHFFFAOYSA-N 1 2 267.376 3.244 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](CC(=O)OC)c1ccc(Cl)cc1 ZINC001255156323 806556329 /nfs/dbraw/zinc/55/63/29/806556329.db2.gz ZUHOSJXOSPVZFJ-KGLIPLIRSA-N 1 2 294.782 3.226 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001255162121 806560351 /nfs/dbraw/zinc/56/03/51/806560351.db2.gz IAAPMFZTRLFIQR-AAEUAGOBSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001255174136 806568252 /nfs/dbraw/zinc/56/82/52/806568252.db2.gz RXLCCXHNOPSPIW-AJNGGQMLSA-N 1 2 292.423 3.121 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001255174136 806568260 /nfs/dbraw/zinc/56/82/60/806568260.db2.gz RXLCCXHNOPSPIW-AJNGGQMLSA-N 1 2 292.423 3.121 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001255176403 806569769 /nfs/dbraw/zinc/56/97/69/806569769.db2.gz ARLZYBGBXZARRJ-MJBXVCDLSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001255176403 806569772 /nfs/dbraw/zinc/56/97/72/806569772.db2.gz ARLZYBGBXZARRJ-MJBXVCDLSA-N 1 2 295.427 3.056 20 30 CGEDLO CC(C)(C)C1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001255501329 806654851 /nfs/dbraw/zinc/65/48/51/806654851.db2.gz SXYXQJBEGMKMTC-UHFFFAOYSA-N 1 2 264.413 3.254 20 30 CGEDLO C=CCO[C@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC001255565303 806675513 /nfs/dbraw/zinc/67/55/13/806675513.db2.gz WKRIUYGYZYFMFK-AWEZNQCLSA-N 1 2 298.386 3.333 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C(=O)OCC ZINC001255852778 806768652 /nfs/dbraw/zinc/76/86/52/806768652.db2.gz CTXMBIIIIVYFRW-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)C(=O)OCC ZINC001255852821 806769459 /nfs/dbraw/zinc/76/94/59/806769459.db2.gz DPBIHSJBPSALKI-HOCLYGCPSA-N 1 2 275.392 3.023 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000822658626 800463884 /nfs/dbraw/zinc/46/38/84/800463884.db2.gz DCMZINHYRORMKI-ZFWWWQNUSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000926322157 800638776 /nfs/dbraw/zinc/63/87/76/800638776.db2.gz DKVFQWSPQRWTMQ-SMDDNHRTSA-N 1 2 276.405 3.058 20 30 CGEDLO C[C@@]1(C2CC2)C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCO1 ZINC000930923154 800651980 /nfs/dbraw/zinc/65/19/80/800651980.db2.gz JTWHHYLRDCYBBI-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCO1 ZINC000930923154 800651982 /nfs/dbraw/zinc/65/19/82/800651982.db2.gz JTWHHYLRDCYBBI-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024318221 800725268 /nfs/dbraw/zinc/72/52/68/800725268.db2.gz BAESARISNNFUQG-CYBMUJFWSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024318221 800725272 /nfs/dbraw/zinc/72/52/72/800725272.db2.gz BAESARISNNFUQG-CYBMUJFWSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029456431 800869020 /nfs/dbraw/zinc/86/90/20/800869020.db2.gz CEFZVQGYIAMINE-HPDPMFCGSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029456431 800869025 /nfs/dbraw/zinc/86/90/25/800869025.db2.gz CEFZVQGYIAMINE-HPDPMFCGSA-N 1 2 296.842 3.016 20 30 CGEDLO C=CC[NH+]1CC(NC(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC001031448102 800910437 /nfs/dbraw/zinc/91/04/37/800910437.db2.gz KORUZUOMGRBNEE-UHFFFAOYSA-N 1 2 292.467 3.215 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394124 800962740 /nfs/dbraw/zinc/96/27/40/800962740.db2.gz PGHCNCILTAZEPQ-UONOGXRCSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394124 800962742 /nfs/dbraw/zinc/96/27/42/800962742.db2.gz PGHCNCILTAZEPQ-UONOGXRCSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001044351678 801236385 /nfs/dbraw/zinc/23/63/85/801236385.db2.gz HZZJTONGBLBFJN-GOSISDBHSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071332532 801528118 /nfs/dbraw/zinc/52/81/18/801528118.db2.gz SEKBTKBSFNWQNM-WCQYABFASA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071332532 801528126 /nfs/dbraw/zinc/52/81/26/801528126.db2.gz SEKBTKBSFNWQNM-WCQYABFASA-N 1 2 298.839 3.083 20 30 CGEDLO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1scc(C)c1Cl ZINC001085614555 801697951 /nfs/dbraw/zinc/69/79/51/801697951.db2.gz QKPYOJLGSYVWGO-NSHDSACASA-N 1 2 298.839 3.042 20 30 CGEDLO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scc(C)c1Cl ZINC001085614555 801697954 /nfs/dbraw/zinc/69/79/54/801697954.db2.gz QKPYOJLGSYVWGO-NSHDSACASA-N 1 2 298.839 3.042 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840445 801810873 /nfs/dbraw/zinc/81/08/73/801810873.db2.gz JMDLCFSDOHPIIA-RDBSUJKOSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840445 801810882 /nfs/dbraw/zinc/81/08/82/801810882.db2.gz JMDLCFSDOHPIIA-RDBSUJKOSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088990369 801816139 /nfs/dbraw/zinc/81/61/39/801816139.db2.gz RPQQATQDIDOOGS-NGFQHRJXSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088990369 801816145 /nfs/dbraw/zinc/81/61/45/801816145.db2.gz RPQQATQDIDOOGS-NGFQHRJXSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045456 801818527 /nfs/dbraw/zinc/81/85/27/801818527.db2.gz QJHHCKFSCUIKKN-HIFRSBDPSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045456 801818533 /nfs/dbraw/zinc/81/85/33/801818533.db2.gz QJHHCKFSCUIKKN-HIFRSBDPSA-N 1 2 296.842 3.064 20 30 CGEDLO Cc1ccc(CC#N)c(N2CC(F)(F)C[C@@]2(C)CF)[nH+]1 ZINC001164568425 806958390 /nfs/dbraw/zinc/95/83/90/806958390.db2.gz WQAYHGBMQJBXQY-ZDUSSCGKSA-N 1 2 283.297 3.030 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001111191468 802157023 /nfs/dbraw/zinc/15/70/23/802157023.db2.gz VFSXWFVVYGBGSY-NGFQHRJXSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001111191468 802157026 /nfs/dbraw/zinc/15/70/26/802157026.db2.gz VFSXWFVVYGBGSY-NGFQHRJXSA-N 1 2 298.858 3.143 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001116576349 802380070 /nfs/dbraw/zinc/38/00/70/802380070.db2.gz WIECWUMIQJFFIK-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001116576349 802380081 /nfs/dbraw/zinc/38/00/81/802380081.db2.gz WIECWUMIQJFFIK-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO N#Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC001120019762 802725403 /nfs/dbraw/zinc/72/54/03/802725403.db2.gz LFPWQMAEFCHVRZ-CYBMUJFWSA-N 1 2 286.766 3.250 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245037 803387120 /nfs/dbraw/zinc/38/71/20/803387120.db2.gz MAQXIFMHHZKBPY-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132245037 803387127 /nfs/dbraw/zinc/38/71/27/803387127.db2.gz MAQXIFMHHZKBPY-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1cc(C#N)ccc1F ZINC001244555429 803436271 /nfs/dbraw/zinc/43/62/71/803436271.db2.gz QCDQYGGERJPBFX-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C#Cc1cc(Nc2c(F)cccc2OC(C)C)cc[nH+]1 ZINC001211772753 814941381 /nfs/dbraw/zinc/94/13/81/814941381.db2.gz DGLWTWDZGWWKCG-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)[nH]1 ZINC001137373755 803724877 /nfs/dbraw/zinc/72/48/77/803724877.db2.gz LWXIDBZJTFYOEE-ZDUSSCGKSA-N 1 2 290.432 3.086 20 30 CGEDLO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)[nH]1 ZINC001137373755 803724879 /nfs/dbraw/zinc/72/48/79/803724879.db2.gz LWXIDBZJTFYOEE-ZDUSSCGKSA-N 1 2 290.432 3.086 20 30 CGEDLO COc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)c(C#N)c1 ZINC001137699440 803761425 /nfs/dbraw/zinc/76/14/25/803761425.db2.gz ICQRERYGTBRYIP-MRXNPFEDSA-N 1 2 276.355 3.281 20 30 CGEDLO COc1ccc(C[N@H+]2CCCC[C@@](C)(F)C2)c(C#N)c1 ZINC001137699440 803761429 /nfs/dbraw/zinc/76/14/29/803761429.db2.gz ICQRERYGTBRYIP-MRXNPFEDSA-N 1 2 276.355 3.281 20 30 CGEDLO Cc1cc(-c2ncccc2C#C[Si](C)(C)C)c[nH+]c1N ZINC001245534995 803793188 /nfs/dbraw/zinc/79/31/88/803793188.db2.gz DPUFSRCGJPUCNJ-UHFFFAOYSA-N 1 2 281.435 3.263 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138180123 803872882 /nfs/dbraw/zinc/87/28/82/803872882.db2.gz UUYGLZIUZRMEOK-MRXNPFEDSA-N 1 2 273.380 3.005 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138180123 803872892 /nfs/dbraw/zinc/87/28/92/803872892.db2.gz UUYGLZIUZRMEOK-MRXNPFEDSA-N 1 2 273.380 3.005 20 30 CGEDLO COc1c(C)cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1C ZINC001138428264 803932635 /nfs/dbraw/zinc/93/26/35/803932635.db2.gz CAPWNRRDBLPKEC-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1c(C)cc(C[N@H+]2CCC[C@@H](C#N)C2)cc1C ZINC001138428264 803932643 /nfs/dbraw/zinc/93/26/43/803932643.db2.gz CAPWNRRDBLPKEC-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO C=CCc1cccc(C[N@H+](C)Cc2cscn2)c1O ZINC001138627837 803985980 /nfs/dbraw/zinc/98/59/80/803985980.db2.gz GNTLDEACVCEVGJ-UHFFFAOYSA-N 1 2 274.389 3.209 20 30 CGEDLO C=CCc1cccc(C[N@@H+](C)Cc2cscn2)c1O ZINC001138627837 803985989 /nfs/dbraw/zinc/98/59/89/803985989.db2.gz GNTLDEACVCEVGJ-UHFFFAOYSA-N 1 2 274.389 3.209 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001138662428 803997521 /nfs/dbraw/zinc/99/75/21/803997521.db2.gz XWGPFRKMTDKVDX-HNNXBMFYSA-N 1 2 291.366 3.145 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001138662428 803997528 /nfs/dbraw/zinc/99/75/28/803997528.db2.gz XWGPFRKMTDKVDX-HNNXBMFYSA-N 1 2 291.366 3.145 20 30 CGEDLO N#Cc1cc2c(ccn2-c2cc[nH+]cc2Cl)c(N)c1 ZINC001212157215 814985744 /nfs/dbraw/zinc/98/57/44/814985744.db2.gz DTHBZYKIQRODHT-UHFFFAOYSA-N 1 2 268.707 3.133 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1C(C)C ZINC001139620996 804232853 /nfs/dbraw/zinc/23/28/53/804232853.db2.gz DACCLXMEPBPZNI-AWEZNQCLSA-N 1 2 258.365 3.164 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1C(C)C ZINC001139620996 804232857 /nfs/dbraw/zinc/23/28/57/804232857.db2.gz DACCLXMEPBPZNI-AWEZNQCLSA-N 1 2 258.365 3.164 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139693950 804255755 /nfs/dbraw/zinc/25/57/55/804255755.db2.gz WFYVXOMWJDJUSM-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139693950 804255758 /nfs/dbraw/zinc/25/57/58/804255758.db2.gz WFYVXOMWJDJUSM-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C=CCn1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)cn1 ZINC001139771206 804277234 /nfs/dbraw/zinc/27/72/34/804277234.db2.gz SIOMMFOSJLLPLA-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C=CCn1cc(C[N@H+]2CCc3cccc(Cl)c3C2)cn1 ZINC001139771206 804277236 /nfs/dbraw/zinc/27/72/36/804277236.db2.gz SIOMMFOSJLLPLA-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO O=C1C=C2C[N@@H+](Cc3cc4ccccc4cn3)CC[C@@H]2S1 ZINC001139996945 804349000 /nfs/dbraw/zinc/34/90/00/804349000.db2.gz VYMQQBVBFVWXQJ-INIZCTEOSA-N 1 2 296.395 3.009 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3cc4ccccc4cn3)CC[C@@H]2S1 ZINC001139996945 804349009 /nfs/dbraw/zinc/34/90/09/804349009.db2.gz VYMQQBVBFVWXQJ-INIZCTEOSA-N 1 2 296.395 3.009 20 30 CGEDLO N#Cc1ccc(Br)cc1C[NH+]1CCCCC1 ZINC001141894640 804677768 /nfs/dbraw/zinc/67/77/68/804677768.db2.gz PJDUTAQDSSAUQX-UHFFFAOYSA-N 1 2 279.181 3.307 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1occc1Br ZINC001143129655 804805141 /nfs/dbraw/zinc/80/51/41/804805141.db2.gz DUHYXTPOLMPOAO-RTCCRHLQSA-N 1 2 295.180 3.309 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1occc1Br ZINC001143129655 804805149 /nfs/dbraw/zinc/80/51/49/804805149.db2.gz DUHYXTPOLMPOAO-RTCCRHLQSA-N 1 2 295.180 3.309 20 30 CGEDLO CCCOC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143170240 804815050 /nfs/dbraw/zinc/81/50/50/804815050.db2.gz DHAOMPQNOJSTRQ-UHFFFAOYSA-N 1 2 294.345 3.227 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c1F ZINC001143173145 804815297 /nfs/dbraw/zinc/81/52/97/804815297.db2.gz QJKWYGSKYJGORF-SNVBAGLBSA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1F ZINC001143173145 804815306 /nfs/dbraw/zinc/81/53/06/804815306.db2.gz QJKWYGSKYJGORF-SNVBAGLBSA-N 1 2 286.272 3.314 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143350382 804837520 /nfs/dbraw/zinc/83/75/20/804837520.db2.gz HVLPRTRCAVKJQK-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143350382 804837528 /nfs/dbraw/zinc/83/75/28/804837528.db2.gz HVLPRTRCAVKJQK-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143980744 804917974 /nfs/dbraw/zinc/91/79/74/804917974.db2.gz QZQHVMDTZIRHDG-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143980744 804917978 /nfs/dbraw/zinc/91/79/78/804917978.db2.gz QZQHVMDTZIRHDG-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO CCc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc(CC)c1O ZINC001144149771 804945259 /nfs/dbraw/zinc/94/52/59/804945259.db2.gz BDYRSXWAIPWXTE-ZDUSSCGKSA-N 1 2 272.392 3.253 20 30 CGEDLO CCc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc(CC)c1O ZINC001144149771 804945264 /nfs/dbraw/zinc/94/52/64/804945264.db2.gz BDYRSXWAIPWXTE-ZDUSSCGKSA-N 1 2 272.392 3.253 20 30 CGEDLO C=CC[N@H+](Cc1c(F)cc(O)cc1F)C(C)(C)C ZINC001144562052 805006711 /nfs/dbraw/zinc/00/67/11/805006711.db2.gz WRCXWEMWBAKWHP-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO C=CC[N@@H+](Cc1c(F)cc(O)cc1F)C(C)(C)C ZINC001144562052 805006718 /nfs/dbraw/zinc/00/67/18/805006718.db2.gz WRCXWEMWBAKWHP-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO C#Cc1ccc(C[NH+]2Cc3cc(OC)c(OC)cc3C2)cc1 ZINC001144580773 805010127 /nfs/dbraw/zinc/01/01/27/805010127.db2.gz JBDXXLUJJKBHGH-UHFFFAOYSA-N 1 2 293.366 3.201 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249292943 805127194 /nfs/dbraw/zinc/12/71/94/805127194.db2.gz UCMOPQHSJQZBEL-ZDUSSCGKSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249292943 805127198 /nfs/dbraw/zinc/12/71/98/805127198.db2.gz UCMOPQHSJQZBEL-ZDUSSCGKSA-N 1 2 298.415 3.331 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249524747 805164107 /nfs/dbraw/zinc/16/41/07/805164107.db2.gz LHKZYCUIUPCOML-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249524747 805164111 /nfs/dbraw/zinc/16/41/11/805164111.db2.gz LHKZYCUIUPCOML-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO CSCc1cc[nH+]c(N2CCC[C@@H](CC#N)C2)c1 ZINC001166740593 807088918 /nfs/dbraw/zinc/08/89/18/807088918.db2.gz BBAYIHBICRMFIY-LBPRGKRZSA-N 1 2 261.394 3.075 20 30 CGEDLO C#C[C@@H]1CCCN(c2cc(C)c3cc(OC)ccc3[nH+]2)C1 ZINC001167006129 807128032 /nfs/dbraw/zinc/12/80/32/807128032.db2.gz PFPGTYOFZVDHNS-CQSZACIVSA-N 1 2 280.371 3.401 20 30 CGEDLO CN(C)c1cc(Cl)[nH+]c(NCc2ccccc2C#N)c1 ZINC001167633971 807221016 /nfs/dbraw/zinc/22/10/16/807221016.db2.gz RRSDJGBTCUUMAX-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO CC(C)(C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257822142 807223047 /nfs/dbraw/zinc/22/30/47/807223047.db2.gz SYGZWYVCQLJHRH-UHFFFAOYSA-N 1 2 272.392 3.406 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+][C@H](C#N)CC(C)C)CC1 ZINC001258025872 807268366 /nfs/dbraw/zinc/26/83/66/807268366.db2.gz ZNNSKZRXRYPXGY-NRXISQOPSA-N 1 2 280.412 3.026 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCC=C(C)C)C(=O)OCC ZINC001258083632 807297542 /nfs/dbraw/zinc/29/75/42/807297542.db2.gz MGVVBKNQYALBQS-SQWLQELKSA-N 1 2 265.397 3.219 20 30 CGEDLO CCCC[N@H+](CC#N)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442577 807415449 /nfs/dbraw/zinc/41/54/49/807415449.db2.gz WCBQIUNZRIWAQZ-INIZCTEOSA-N 1 2 260.356 3.309 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2cc(F)ccc2C1 ZINC001168442577 807415454 /nfs/dbraw/zinc/41/54/54/807415454.db2.gz WCBQIUNZRIWAQZ-INIZCTEOSA-N 1 2 260.356 3.309 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258521229 807483415 /nfs/dbraw/zinc/48/34/15/807483415.db2.gz FJMJEEVHCNOAGZ-MRXNPFEDSA-N 1 2 294.439 3.370 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](CCC)Cc1ccccc1)C(=O)OC ZINC001258651820 807523624 /nfs/dbraw/zinc/52/36/24/807523624.db2.gz HBTNASWIUBONRZ-HZPDHXFCSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001258717576 807567507 /nfs/dbraw/zinc/56/75/07/807567507.db2.gz URXZBQHGLUCXIC-DOMZBBRYSA-N 1 2 295.810 3.368 20 30 CGEDLO CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258792965 807615261 /nfs/dbraw/zinc/61/52/61/807615261.db2.gz ZLOOCKKYCLKAPY-YUTCNCBUSA-N 1 2 267.438 3.475 20 30 CGEDLO CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258792965 807615264 /nfs/dbraw/zinc/61/52/64/807615264.db2.gz ZLOOCKKYCLKAPY-YUTCNCBUSA-N 1 2 267.438 3.475 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)C(=O)OCC ZINC001261256177 807723040 /nfs/dbraw/zinc/72/30/40/807723040.db2.gz ZLYBHRIJVLAVPC-XHDPSFHLSA-N 1 2 297.345 3.166 20 30 CGEDLO COc1cc(C)[nH+]c(CSCc2cncc(C#N)c2)c1 ZINC001262159469 807829491 /nfs/dbraw/zinc/82/94/91/807829491.db2.gz XAZPFIIQIJMTTG-UHFFFAOYSA-N 1 2 285.372 3.099 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001265319313 808130522 /nfs/dbraw/zinc/13/05/22/808130522.db2.gz LDQZYDNHOJUFKP-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001265319313 808130526 /nfs/dbraw/zinc/13/05/26/808130526.db2.gz LDQZYDNHOJUFKP-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO CC(C)(C)OC(=O)C1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001171928457 808154869 /nfs/dbraw/zinc/15/48/69/808154869.db2.gz HPBJXZFXELNUNY-YMAMQOFZSA-N 1 2 292.423 3.265 20 30 CGEDLO CC(C)(C)OC(=O)C1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001171928457 808154873 /nfs/dbraw/zinc/15/48/73/808154873.db2.gz HPBJXZFXELNUNY-YMAMQOFZSA-N 1 2 292.423 3.265 20 30 CGEDLO C#CC[C@H]([NH2+][C@H](CC)CCCCCCC)C(=O)OC ZINC001172350839 808248264 /nfs/dbraw/zinc/24/82/64/808248264.db2.gz QDFFOXNNXFCMJI-CABCVRRESA-N 1 2 267.413 3.280 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001266413173 808258900 /nfs/dbraw/zinc/25/89/00/808258900.db2.gz IELHEQBGDUTVAA-GXTWGEPZSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001266413173 808258904 /nfs/dbraw/zinc/25/89/04/808258904.db2.gz IELHEQBGDUTVAA-GXTWGEPZSA-N 1 2 286.847 3.003 20 30 CGEDLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)CCCC#N ZINC001172498175 808354748 /nfs/dbraw/zinc/35/47/48/808354748.db2.gz JIHSOCQPZKSJHY-ZDUSSCGKSA-N 1 2 294.420 3.196 20 30 CGEDLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)CCCC#N ZINC001172498175 808354752 /nfs/dbraw/zinc/35/47/52/808354752.db2.gz JIHSOCQPZKSJHY-ZDUSSCGKSA-N 1 2 294.420 3.196 20 30 CGEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172508108 808364790 /nfs/dbraw/zinc/36/47/90/808364790.db2.gz GFYXDBQYZPWDPJ-WBVHZDCISA-N 1 2 299.455 3.437 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001172561685 808388727 /nfs/dbraw/zinc/38/87/27/808388727.db2.gz XXCJLTJMEWNZAZ-YWTNHNAXSA-N 1 2 299.414 3.420 20 30 CGEDLO N#Cc1ccc(F)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213032197 815206242 /nfs/dbraw/zinc/20/62/42/815206242.db2.gz XGHIFUKGKVUSDW-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO N#CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1 ZINC001172901473 808476475 /nfs/dbraw/zinc/47/64/75/808476475.db2.gz NMYSJWNOZRGUPB-OAHLLOKOSA-N 1 2 299.374 3.268 20 30 CGEDLO N#C[C@H]1CCCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915167 808477379 /nfs/dbraw/zinc/47/73/79/808477379.db2.gz MBHMMOWULMQBOY-DOTOQJQBSA-N 1 2 299.374 3.220 20 30 CGEDLO N#C[C@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915167 808477385 /nfs/dbraw/zinc/47/73/85/808477385.db2.gz MBHMMOWULMQBOY-DOTOQJQBSA-N 1 2 299.374 3.220 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)/C(C)=C/CC)CC2 ZINC001268042953 808531092 /nfs/dbraw/zinc/53/10/92/808531092.db2.gz ADKAWYXEBSXNFI-WLRTZDKTSA-N 1 2 296.842 3.020 20 30 CGEDLO CC[C@@H](C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198775 808534462 /nfs/dbraw/zinc/53/44/62/808534462.db2.gz GIVUVFBXRLYBIZ-HLIUYOAVSA-N 1 2 258.365 3.268 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC001174724914 809143647 /nfs/dbraw/zinc/14/36/47/809143647.db2.gz KVHHCGDUMGFYQC-LBPRGKRZSA-N 1 2 264.328 3.341 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1Cc2ccc(O)cc2C1 ZINC001174724914 809143649 /nfs/dbraw/zinc/14/36/49/809143649.db2.gz KVHHCGDUMGFYQC-LBPRGKRZSA-N 1 2 264.328 3.341 20 30 CGEDLO C=C(C)Nc1cc(Br)c2[nH+]ccn2c1 ZINC001174787832 809164119 /nfs/dbraw/zinc/16/41/19/809164119.db2.gz LCELTGDZAHBLSU-UHFFFAOYSA-N 1 2 252.115 3.042 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001282484008 809251541 /nfs/dbraw/zinc/25/15/41/809251541.db2.gz ANIFCLLUUWXVPH-CQSZACIVSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001282484008 809251548 /nfs/dbraw/zinc/25/15/48/809251548.db2.gz ANIFCLLUUWXVPH-CQSZACIVSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)C2CCCC2)C1 ZINC001282740056 809261883 /nfs/dbraw/zinc/26/18/83/809261883.db2.gz LGQZLQHKUQZFAQ-CHWSQXEVSA-N 1 2 298.858 3.002 20 30 CGEDLO CC#CC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001175267972 809333521 /nfs/dbraw/zinc/33/35/21/809333521.db2.gz KWQNZCKSFUYXIX-UHFFFAOYSA-N 1 2 253.267 3.087 20 30 CGEDLO CC#CC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001175267972 809333527 /nfs/dbraw/zinc/33/35/27/809333527.db2.gz KWQNZCKSFUYXIX-UHFFFAOYSA-N 1 2 253.267 3.087 20 30 CGEDLO Cc1c[nH+]cc(Nc2cnc(C#N)c(Cl)c2)c1C ZINC001213527466 815299154 /nfs/dbraw/zinc/29/91/54/815299154.db2.gz METQXIJXXLZCJA-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO Cc1cn2cccc(Nc3ccc(F)c(C#N)c3)c2[nH+]1 ZINC001176613601 809730393 /nfs/dbraw/zinc/73/03/93/809730393.db2.gz BXKFPQGLUTVCLX-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)cs1 ZINC001176748949 809756179 /nfs/dbraw/zinc/75/61/79/809756179.db2.gz KPFLHXUFNVKNCN-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO COc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1C#N ZINC001176751213 809757548 /nfs/dbraw/zinc/75/75/48/809757548.db2.gz YZNZOZSLQPVDTK-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001179479711 809924301 /nfs/dbraw/zinc/92/43/01/809924301.db2.gz RJQHWKHSKYDFCV-VIFPVBQESA-N 1 2 263.391 3.263 20 30 CGEDLO C=C(C)C[C@H]([NH2+]CCc1cccc(Cl)c1)C(=O)OCC ZINC001183551079 810151804 /nfs/dbraw/zinc/15/18/04/810151804.db2.gz NJVJKPOGDMNWKM-HNNXBMFYSA-N 1 2 295.810 3.370 20 30 CGEDLO CCCCCCCCCNC(=S)NCc1c[nH+]cn1C ZINC001200369250 811682673 /nfs/dbraw/zinc/68/26/73/811682673.db2.gz PJVUVWBDLRCPOY-UHFFFAOYSA-N 1 2 296.484 3.135 20 30 CGEDLO N#Cc1cccc(C(F)(F)F)c1Nc1ccc(N)[nH+]c1 ZINC001201292919 811811288 /nfs/dbraw/zinc/81/12/88/811811288.db2.gz USNKYUFDTTUSIF-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO C#Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)ccn1 ZINC001203713422 812438560 /nfs/dbraw/zinc/43/85/60/812438560.db2.gz ZUUAGSFWCVWQCU-UHFFFAOYSA-N 1 2 277.371 3.219 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001203906810 812488516 /nfs/dbraw/zinc/48/85/16/812488516.db2.gz BUBHRYXNBWYAOV-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001203906810 812488520 /nfs/dbraw/zinc/48/85/20/812488520.db2.gz BUBHRYXNBWYAOV-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1C ZINC001204357611 812619076 /nfs/dbraw/zinc/61/90/76/812619076.db2.gz ZMGAXVIKCWTKOS-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO C#CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1Cl ZINC001205049215 812837875 /nfs/dbraw/zinc/83/78/75/812837875.db2.gz CQZASAGPJHOQNA-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO C#CC[N@H+](C)Cc1cccc(C(F)(F)F)c1Cl ZINC001205049215 812837881 /nfs/dbraw/zinc/83/78/81/812837881.db2.gz CQZASAGPJHOQNA-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO Fc1cc(F)c(C[NH2+]CC#Cc2ccccc2)c(F)c1F ZINC001205620691 813030196 /nfs/dbraw/zinc/03/01/96/813030196.db2.gz GOODFSUXVQYLRX-UHFFFAOYSA-N 1 2 293.263 3.384 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411837 813558679 /nfs/dbraw/zinc/55/86/79/813558679.db2.gz UHLKMYARQIPCBS-HOCLYGCPSA-N 1 2 278.440 3.498 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411837 813558682 /nfs/dbraw/zinc/55/86/82/813558682.db2.gz UHLKMYARQIPCBS-HOCLYGCPSA-N 1 2 278.440 3.498 20 30 CGEDLO C=CCC1(O)C[NH+](Cc2c(C)cc(Cl)cc2C)C1 ZINC001207798773 813654297 /nfs/dbraw/zinc/65/42/97/813654297.db2.gz QLPYUFPCWVPKKC-UHFFFAOYSA-N 1 2 265.784 3.080 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(N2CCCC2)nc1 ZINC001209623395 814100146 /nfs/dbraw/zinc/10/01/46/814100146.db2.gz PHXJGIALGUIBKO-UHFFFAOYSA-N 1 2 286.423 3.198 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N2CCCC2)nc1 ZINC001209623395 814100152 /nfs/dbraw/zinc/10/01/52/814100152.db2.gz PHXJGIALGUIBKO-UHFFFAOYSA-N 1 2 286.423 3.198 20 30 CGEDLO C#Cc1cc(Nc2c(OC)ccc3ccccc32)cc[nH+]1 ZINC001210167984 814319403 /nfs/dbraw/zinc/31/94/03/814319403.db2.gz JNCWLXAAPKWDNZ-UHFFFAOYSA-N 1 2 274.323 3.390 20 30 CGEDLO CCOc1cc(Nc2cnc(C#N)c(C)c2)cc(C)[nH+]1 ZINC001210201551 814336997 /nfs/dbraw/zinc/33/69/97/814336997.db2.gz BNBZLHIYDOWAOC-UHFFFAOYSA-N 1 2 268.320 3.107 20 30 CGEDLO Cc1cc(Nc2ccccc2-n2cc[nH+]c2)cnc1C#N ZINC001210204417 814340006 /nfs/dbraw/zinc/34/00/06/814340006.db2.gz XTEIPHONXNCADO-UHFFFAOYSA-N 1 2 275.315 3.191 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001242743294 823119648 /nfs/dbraw/zinc/11/96/48/823119648.db2.gz PEZQTHLPVOUUNM-NSHDSACASA-N 1 2 270.307 3.394 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccc(-c3c[nH+]cn3C)cc2)C1 ZINC001242745742 823120582 /nfs/dbraw/zinc/12/05/82/823120582.db2.gz WZBUXFLRWGTLAU-GFCCVEGCSA-N 1 2 266.344 3.470 20 30 CGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)ccc1O ZINC001210527395 814510274 /nfs/dbraw/zinc/51/02/74/814510274.db2.gz MDPYIBIDAKVADJ-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C#N)c(C)c2)c[nH+]1 ZINC001210809702 814639085 /nfs/dbraw/zinc/63/90/85/814639085.db2.gz BMXYPOQUEBIXBI-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO CCC[C@@H](C#Cc1ccccc1)Oc1cc(N)cc[nH+]1 ZINC001218440173 816214101 /nfs/dbraw/zinc/21/41/01/816214101.db2.gz YXGPBGWHAQFLHH-INIZCTEOSA-N 1 2 266.344 3.263 20 30 CGEDLO C=CCCCCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224508220 816816461 /nfs/dbraw/zinc/81/64/61/816816461.db2.gz TVXLGCSLISRNIZ-CVEARBPZSA-N 1 2 297.439 3.165 20 30 CGEDLO C=CCCCCCCCCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224508220 816816466 /nfs/dbraw/zinc/81/64/66/816816466.db2.gz TVXLGCSLISRNIZ-CVEARBPZSA-N 1 2 297.439 3.165 20 30 CGEDLO C=CCOc1cccc(C[NH+]2CC3(C2)CCCCO3)c1 ZINC001231622118 818138528 /nfs/dbraw/zinc/13/85/28/818138528.db2.gz QVZAIJDQQSULDK-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C(F)(F)F)c1 ZINC001232240520 818289942 /nfs/dbraw/zinc/28/99/42/818289942.db2.gz KPTCAMWBHCSTMN-XYYAHUGASA-N 1 2 295.308 3.367 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(C(F)(F)F)c1 ZINC001232240520 818289946 /nfs/dbraw/zinc/28/99/46/818289946.db2.gz KPTCAMWBHCSTMN-XYYAHUGASA-N 1 2 295.308 3.367 20 30 CGEDLO Cc1cccc2c1C[N@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232674140 818415955 /nfs/dbraw/zinc/41/59/55/818415955.db2.gz RRZNYTYXTCFQMV-UHFFFAOYSA-N 1 2 264.328 3.088 20 30 CGEDLO Cc1cccc2c1C[N@@H+](Cc1cc(C#N)ccc1O)C2 ZINC001232674140 818415967 /nfs/dbraw/zinc/41/59/67/818415967.db2.gz RRZNYTYXTCFQMV-UHFFFAOYSA-N 1 2 264.328 3.088 20 30 CGEDLO C[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1O ZINC001232679219 818416996 /nfs/dbraw/zinc/41/69/96/818416996.db2.gz HDDODRWCBHCIPA-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO COc1cccc([C@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233048085 818511125 /nfs/dbraw/zinc/51/11/25/818511125.db2.gz UWQQAGHPIZPACO-QGZVFWFLSA-N 1 2 281.359 3.232 20 30 CGEDLO COc1cccc([C@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233048085 818511131 /nfs/dbraw/zinc/51/11/31/818511131.db2.gz UWQQAGHPIZPACO-QGZVFWFLSA-N 1 2 281.359 3.232 20 30 CGEDLO Cc1ncc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)o1 ZINC001233369033 818599343 /nfs/dbraw/zinc/59/93/43/818599343.db2.gz VQQGTRXNYXAGAI-UHFFFAOYSA-N 1 2 299.349 3.180 20 30 CGEDLO C#CC[N@@H+](Cc1cncc(Cl)n1)[C@@H]1CCc2ccccc21 ZINC001233449552 818622079 /nfs/dbraw/zinc/62/20/79/818622079.db2.gz INGKJGMCLRBRGU-MRXNPFEDSA-N 1 2 297.789 3.253 20 30 CGEDLO C#CC[N@H+](Cc1cncc(Cl)n1)[C@@H]1CCc2ccccc21 ZINC001233449552 818622082 /nfs/dbraw/zinc/62/20/82/818622082.db2.gz INGKJGMCLRBRGU-MRXNPFEDSA-N 1 2 297.789 3.253 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl ZINC001234509275 818869779 /nfs/dbraw/zinc/86/97/79/818869779.db2.gz JJIQKTHPHPCCIF-IZIDJEDMSA-N 1 2 296.842 3.040 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl ZINC001234509275 818869783 /nfs/dbraw/zinc/86/97/83/818869783.db2.gz JJIQKTHPHPCCIF-IZIDJEDMSA-N 1 2 296.842 3.040 20 30 CGEDLO C=CCCCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235912824 819220302 /nfs/dbraw/zinc/22/03/02/819220302.db2.gz JUHPAPAJSOEHDH-MRXNPFEDSA-N 1 2 263.429 3.091 20 30 CGEDLO C=CCCCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235912824 819220305 /nfs/dbraw/zinc/22/03/05/819220305.db2.gz JUHPAPAJSOEHDH-MRXNPFEDSA-N 1 2 263.429 3.091 20 30 CGEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)c(F)c1 ZINC001236523579 819515060 /nfs/dbraw/zinc/51/50/60/819515060.db2.gz AZLWTGRVOCHGJJ-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#Cc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c(F)c1 ZINC001236528548 819520409 /nfs/dbraw/zinc/52/04/09/819520409.db2.gz ZLFARGNPAUMAPX-UHFFFAOYSA-N 1 2 281.212 3.360 20 30 CGEDLO Cc1cn2cc(-c3ccc(C#N)cc3F)ccc2[nH+]1 ZINC001236531120 819522316 /nfs/dbraw/zinc/52/23/16/819522316.db2.gz XBUJNQCUGZRARF-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO COc1ccc(C#N)cc1-c1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001236538894 819527736 /nfs/dbraw/zinc/52/77/36/819527736.db2.gz SXMOBEFCDQCQJA-UHFFFAOYSA-N 1 2 293.248 3.230 20 30 CGEDLO N#CCc1ccc(-c2ccc[nH+]c2N)cc1C(F)(F)F ZINC001243476867 823415503 /nfs/dbraw/zinc/41/55/03/823415503.db2.gz VVUKOPSYJDCVKQ-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnc(C3CC3)s1)CC2 ZINC001237787807 819839070 /nfs/dbraw/zinc/83/90/70/819839070.db2.gz WKCKBENNDPAAOD-UHFFFAOYSA-N 1 2 295.411 3.450 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnc(C3CC3)s1)CC2 ZINC001237787807 819839077 /nfs/dbraw/zinc/83/90/77/819839077.db2.gz WKCKBENNDPAAOD-UHFFFAOYSA-N 1 2 295.411 3.450 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237799689 819844992 /nfs/dbraw/zinc/84/49/92/819844992.db2.gz STGLLWXHWQXYRL-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237799689 819845000 /nfs/dbraw/zinc/84/50/00/819845000.db2.gz STGLLWXHWQXYRL-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cncc(C2CC2)c1 ZINC001238183450 819949213 /nfs/dbraw/zinc/94/92/13/819949213.db2.gz BOJBKTREOGHRRP-UHFFFAOYSA-N 1 2 257.381 3.475 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cncc(C2CC2)c1 ZINC001238183450 819949221 /nfs/dbraw/zinc/94/92/21/819949221.db2.gz BOJBKTREOGHRRP-UHFFFAOYSA-N 1 2 257.381 3.475 20 30 CGEDLO N#Cc1cc(C[NH+]2CCC(F)(F)CC2)ccc1Cl ZINC001238195922 819952972 /nfs/dbraw/zinc/95/29/72/819952972.db2.gz KSLAGHKTRWPRAI-UHFFFAOYSA-N 1 2 270.710 3.443 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238518089 820034068 /nfs/dbraw/zinc/03/40/68/820034068.db2.gz XQOQMXKWLNRGGF-MRXNPFEDSA-N 1 2 258.340 3.439 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c(C3CC3)c2)C1 ZINC001238518089 820034074 /nfs/dbraw/zinc/03/40/74/820034074.db2.gz XQOQMXKWLNRGGF-MRXNPFEDSA-N 1 2 258.340 3.439 20 30 CGEDLO COC(=[NH2+])c1cccc(-c2ccccc2OCC#N)c1 ZINC001243588472 823457722 /nfs/dbraw/zinc/45/77/22/823457722.db2.gz KZZVYQWDSZMQSE-UHFFFAOYSA-N 1 2 266.300 3.228 20 30 CGEDLO COC(=[NH2+])c1cccc(-c2ccc(OCC#N)cc2)c1 ZINC001243593561 823460523 /nfs/dbraw/zinc/46/05/23/823460523.db2.gz NXSYWYBQYBPCOP-UHFFFAOYSA-N 1 2 266.300 3.228 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)NCc1ccc(N)[nH+]c1 ZINC001239234909 820237216 /nfs/dbraw/zinc/23/72/16/820237216.db2.gz UHMCWBPQIRXXAF-ZDUSSCGKSA-N 1 2 292.427 3.212 20 30 CGEDLO N#Cc1cnc(-c2ccc3[nH+]ccn3c2)c2ccccc12 ZINC001240214203 820883700 /nfs/dbraw/zinc/88/37/00/820883700.db2.gz LBEDPZCMLYATRJ-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#CCc1cc(F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001240218128 820889451 /nfs/dbraw/zinc/88/94/51/820889451.db2.gz BXHGNUKWNKRSML-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO COc1ccc(-c2ccc3[nH+]ccn3c2)cc1CC#N ZINC001240217622 820889883 /nfs/dbraw/zinc/88/98/83/820889883.db2.gz KCPNMOQBFIWSHJ-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO N#Cc1cc2c(cccc2-c2ccn3cc[nH+]c3c2)[nH]1 ZINC001240508891 821103386 /nfs/dbraw/zinc/10/33/86/821103386.db2.gz OMLMXCIQYMOWKS-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C2(C#N)CCC2)cn1 ZINC001241233146 821657831 /nfs/dbraw/zinc/65/78/31/821657831.db2.gz GFAPWDPBGCJQRA-UHFFFAOYSA-N 1 2 292.386 3.463 20 30 CGEDLO COc1cccc(-c2c[nH+]c(N(C)C)cc2C)c1C#N ZINC001241242443 821663288 /nfs/dbraw/zinc/66/32/88/821663288.db2.gz BNKJZGGWOFAMPS-UHFFFAOYSA-N 1 2 267.332 3.003 20 30 CGEDLO Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)cnc1C#N ZINC001242355851 822964077 /nfs/dbraw/zinc/96/40/77/822964077.db2.gz BMOHKVJCDBXKCF-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH2+]CC3(C#N)CCCC3)sc2C1 ZINC001327305439 935052631 /nfs/dbraw/zinc/05/26/31/935052631.db2.gz PYIMOPHLUORJED-GFCCVEGCSA-N 1 2 289.448 3.441 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC001335415683 936144747 /nfs/dbraw/zinc/14/47/47/936144747.db2.gz CCBBUKQWTGANMG-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO N#Cc1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC001354129438 937090903 /nfs/dbraw/zinc/09/09/03/937090903.db2.gz GROZACXJWIODDA-UHFFFAOYSA-N 1 2 286.766 3.319 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccsc1C)C1CC1 ZINC001481167778 926901364 /nfs/dbraw/zinc/90/13/64/926901364.db2.gz DFDWDZVDBKERBF-UHFFFAOYSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccsc1C)C1CC1 ZINC001481167778 926901372 /nfs/dbraw/zinc/90/13/72/926901372.db2.gz DFDWDZVDBKERBF-UHFFFAOYSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001481534474 927019917 /nfs/dbraw/zinc/01/99/17/927019917.db2.gz UQNKDPNIMPRCTC-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001481534474 927019933 /nfs/dbraw/zinc/01/99/33/927019933.db2.gz UQNKDPNIMPRCTC-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001483420872 927501626 /nfs/dbraw/zinc/50/16/26/927501626.db2.gz ONJOBCSSQLXKPH-GDBMZVCRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001483420872 927501636 /nfs/dbraw/zinc/50/16/36/927501636.db2.gz ONJOBCSSQLXKPH-GDBMZVCRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(C)CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001357300504 937170029 /nfs/dbraw/zinc/17/00/29/937170029.db2.gz ZPYFOOAQNVAYRW-UHFFFAOYSA-N 1 2 255.321 3.167 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001485530522 927883339 /nfs/dbraw/zinc/88/33/39/927883339.db2.gz KYSXQQLHNQKJKA-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132214852 928143119 /nfs/dbraw/zinc/14/31/19/928143119.db2.gz OHTDOQDKVQQSTM-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132214852 928143127 /nfs/dbraw/zinc/14/31/27/928143127.db2.gz OHTDOQDKVQQSTM-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(OCC#N)cc2)c[nH+]1 ZINC001212606882 928146657 /nfs/dbraw/zinc/14/66/57/928146657.db2.gz AGBVUSLQPZNBIZ-UHFFFAOYSA-N 1 2 282.347 3.184 20 30 CGEDLO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001494910859 928276598 /nfs/dbraw/zinc/27/65/98/928276598.db2.gz QIFHTDAJQKOTOH-HUUCEWRRSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494910859 928276609 /nfs/dbraw/zinc/27/66/09/928276609.db2.gz QIFHTDAJQKOTOH-HUUCEWRRSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC001560967461 937238651 /nfs/dbraw/zinc/23/86/51/937238651.db2.gz IFDKCKISRKHLGY-UVLXDEKHSA-N 1 2 287.831 3.475 20 30 CGEDLO C#CC[N@@H+](CC[C@H]1CCC[C@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910592 928810208 /nfs/dbraw/zinc/81/02/08/928810208.db2.gz YJYGMXRZAFEDDN-JKSUJKDBSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@H+](CC[C@H]1CCC[C@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910592 928810220 /nfs/dbraw/zinc/81/02/20/928810220.db2.gz YJYGMXRZAFEDDN-JKSUJKDBSA-N 1 2 293.451 3.480 20 30 CGEDLO CCCCCCCCCC[NH+]1CC(O)(CC#N)C1 ZINC001460001111 937511067 /nfs/dbraw/zinc/51/10/67/937511067.db2.gz IBZADSWUWBCTNX-UHFFFAOYSA-N 1 2 252.402 3.087 20 30 CGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084008 932675877 /nfs/dbraw/zinc/67/58/77/932675877.db2.gz SISFWWNZKXCYLB-DYVFJYSZSA-N 1 2 266.344 3.268 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001339280610 932943210 /nfs/dbraw/zinc/94/32/10/932943210.db2.gz SMXGGWMZSAWISL-CVEARBPZSA-N 1 2 289.423 3.428 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001462507598 937646154 /nfs/dbraw/zinc/64/61/54/937646154.db2.gz UVGHLIZFPOYDPW-DGAVXFQQSA-N 1 2 285.815 3.229 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)CO1 ZINC001307898605 933017225 /nfs/dbraw/zinc/01/72/25/933017225.db2.gz ZRLVRNQSZANWTQ-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)CO1 ZINC001307898605 933017232 /nfs/dbraw/zinc/01/72/32/933017232.db2.gz ZRLVRNQSZANWTQ-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO CC#CC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001307983932 933031209 /nfs/dbraw/zinc/03/12/09/933031209.db2.gz QYFKWKVATTTXRF-UHFFFAOYSA-N 1 2 253.267 3.087 20 30 CGEDLO CC#CC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001307983932 933031212 /nfs/dbraw/zinc/03/12/12/933031212.db2.gz QYFKWKVATTTXRF-UHFFFAOYSA-N 1 2 253.267 3.087 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](c1ccccc1)C(C)C ZINC001308561273 933133081 /nfs/dbraw/zinc/13/30/81/933133081.db2.gz VESOUVIGAQEQNM-KRWDZBQOSA-N 1 2 289.419 3.477 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](c1ccccc1)C(C)C ZINC001308561273 933133085 /nfs/dbraw/zinc/13/30/85/933133085.db2.gz VESOUVIGAQEQNM-KRWDZBQOSA-N 1 2 289.419 3.477 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308768775 933172547 /nfs/dbraw/zinc/17/25/47/933172547.db2.gz AROXMHUGPWMUDD-WBVHZDCISA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001308917043 933203520 /nfs/dbraw/zinc/20/35/20/933203520.db2.gz FNFPITLUWAAWFN-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)c1cccc(C#N)c1 ZINC001308939077 933206990 /nfs/dbraw/zinc/20/69/90/933206990.db2.gz SSBWHIWUNHBTOD-JTQLQIEISA-N 1 2 288.297 3.393 20 30 CGEDLO C=CCCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001312634420 933378190 /nfs/dbraw/zinc/37/81/90/933378190.db2.gz YCTVARZADACOFA-CQSZACIVSA-N 1 2 298.390 3.199 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001317164911 933544378 /nfs/dbraw/zinc/54/43/78/933544378.db2.gz FHSHHPSQDGWMMA-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001317164911 933544384 /nfs/dbraw/zinc/54/43/84/933544384.db2.gz FHSHHPSQDGWMMA-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001317450204 933593626 /nfs/dbraw/zinc/59/36/26/933593626.db2.gz CXCDRACFNOSVAV-KBPBESRZSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001317450204 933593631 /nfs/dbraw/zinc/59/36/31/933593631.db2.gz CXCDRACFNOSVAV-KBPBESRZSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001317758097 933645138 /nfs/dbraw/zinc/64/51/38/933645138.db2.gz DNLXHUDMODHCQG-OAHLLOKOSA-N 1 2 298.858 3.408 20 30 CGEDLO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001317758097 933645146 /nfs/dbraw/zinc/64/51/46/933645146.db2.gz DNLXHUDMODHCQG-OAHLLOKOSA-N 1 2 298.858 3.408 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001318299520 933705874 /nfs/dbraw/zinc/70/58/74/933705874.db2.gz DHMSGEQTWRBLIJ-KBPBESRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001318299520 933705880 /nfs/dbraw/zinc/70/58/80/933705880.db2.gz DHMSGEQTWRBLIJ-KBPBESRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C#CC[N@@H+](Cc1csc(CCCC)n1)CC1CC1 ZINC001319458055 933879370 /nfs/dbraw/zinc/87/93/70/933879370.db2.gz HGNFPDNNMSMBQQ-UHFFFAOYSA-N 1 2 262.422 3.331 20 30 CGEDLO C#CC[N@H+](Cc1csc(CCCC)n1)CC1CC1 ZINC001319458055 933879377 /nfs/dbraw/zinc/87/93/77/933879377.db2.gz HGNFPDNNMSMBQQ-UHFFFAOYSA-N 1 2 262.422 3.331 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](CC)Cc1cccs1)C(=O)OCC ZINC001320905051 934121904 /nfs/dbraw/zinc/12/19/04/934121904.db2.gz GOTFPCXYNUDNGG-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO Cc1ccsc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001322818218 934336823 /nfs/dbraw/zinc/33/68/23/934336823.db2.gz BNZVNSOBWHDAQA-SREVYHEPSA-N 1 2 272.373 3.414 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCC2CCCCC2)C1 ZINC001324016621 934449993 /nfs/dbraw/zinc/44/99/93/934449993.db2.gz CMXWFTLPLKUSCQ-UHFFFAOYSA-N 1 2 292.467 3.456 20 30 CGEDLO Nc1ccc(C=[NH+]OCCC(F)(F)F)cc1Cl ZINC001325854916 934934923 /nfs/dbraw/zinc/93/49/23/934934923.db2.gz UPIXRVWYCMDTOO-UHFFFAOYSA-N 1 2 266.650 3.225 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716810 935080596 /nfs/dbraw/zinc/08/05/96/935080596.db2.gz QENZVUMGYGAHPE-HIFRSBDPSA-N 1 2 299.374 3.075 20 30 CGEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716810 935080603 /nfs/dbraw/zinc/08/06/03/935080603.db2.gz QENZVUMGYGAHPE-HIFRSBDPSA-N 1 2 299.374 3.075 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C(C)(C)C)s1)[C@@H]1CCCO1 ZINC001332897638 935495908 /nfs/dbraw/zinc/49/59/08/935495908.db2.gz NMJVFLCXDFAXQN-OLZOCXBDSA-N 1 2 292.448 3.019 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccco1 ZINC001334765716 936112205 /nfs/dbraw/zinc/11/22/05/936112205.db2.gz ATEODHVBQUNGTE-MRXNPFEDSA-N 1 2 299.374 3.050 20 30 CGEDLO CC[C@H]([NH2+]C/C=C/C1CC1)c1cccc(C#N)c1O ZINC001335282718 936136699 /nfs/dbraw/zinc/13/66/99/936136699.db2.gz XALYTOTZYIWSNB-RGDDUWESSA-N 1 2 256.349 3.271 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)s1 ZINC001335785334 936160921 /nfs/dbraw/zinc/16/09/21/936160921.db2.gz OYGDHAAYPXLGKY-MRVPVSSYSA-N 1 2 292.795 3.222 20 30 CGEDLO Cc1cc(F)cc(N2CCc3c(CC#N)cccc3C2)[nH+]1 ZINC001336703608 936208666 /nfs/dbraw/zinc/20/86/66/936208666.db2.gz PPIJJNHSPLILCT-UHFFFAOYSA-N 1 2 281.334 3.158 20 30 CGEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001474483143 937862431 /nfs/dbraw/zinc/86/24/31/937862431.db2.gz BFRDOKHDSGOMHX-LJQANCHMSA-N 1 2 299.414 3.236 20 30 CGEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC#Cc1ccccc1 ZINC001474483143 937862433 /nfs/dbraw/zinc/86/24/33/937862433.db2.gz BFRDOKHDSGOMHX-LJQANCHMSA-N 1 2 299.414 3.236 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001474528113 937864774 /nfs/dbraw/zinc/86/47/74/937864774.db2.gz HSWBFKGITDRXQN-NVXWUHKLSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CCC ZINC001505882519 937987757 /nfs/dbraw/zinc/98/77/57/937987757.db2.gz USUMHTPQICTLRG-AAEUAGOBSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CCC ZINC001505882519 937987758 /nfs/dbraw/zinc/98/77/58/937987758.db2.gz USUMHTPQICTLRG-AAEUAGOBSA-N 1 2 274.836 3.002 20 30 CGEDLO Cc1cc(NCc2ncc(C#N)s2)nc(C(C)(C)C)[nH+]1 ZINC001161005832 958835765 /nfs/dbraw/zinc/83/57/65/958835765.db2.gz ZVFVCHTYUKTWNE-UHFFFAOYSA-N 1 2 287.392 3.023 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001566918175 961058523 /nfs/dbraw/zinc/05/85/23/961058523.db2.gz LQROKUTWNLKDAE-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001566918175 961058504 /nfs/dbraw/zinc/05/85/04/961058504.db2.gz LQROKUTWNLKDAE-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001568483818 961594199 /nfs/dbraw/zinc/59/41/99/961594199.db2.gz BUUJYZDSXNHRAT-OAHLLOKOSA-N 1 2 298.858 3.266 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001568483818 961594211 /nfs/dbraw/zinc/59/42/11/961594211.db2.gz BUUJYZDSXNHRAT-OAHLLOKOSA-N 1 2 298.858 3.266 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1cccc(F)c1C#N ZINC000589984508 346820276 /nfs/dbraw/zinc/82/02/76/346820276.db2.gz VNPUQSPDEGCHTR-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1cccc(F)c1C#N ZINC000589984508 346820278 /nfs/dbraw/zinc/82/02/78/346820278.db2.gz VNPUQSPDEGCHTR-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(O)c2Cl)c(F)c1 ZINC000590185637 346835549 /nfs/dbraw/zinc/83/55/49/346835549.db2.gz RSRPJHYFAIFCRU-UHFFFAOYSA-N 1 2 290.725 3.346 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CC2(C#N)CC2)[nH+]1 ZINC000590308565 346841392 /nfs/dbraw/zinc/84/13/92/346841392.db2.gz TXKROUKJXVYKGC-UHFFFAOYSA-N 1 2 280.331 3.018 20 30 CGEDLO CCc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000591369936 346917695 /nfs/dbraw/zinc/91/76/95/346917695.db2.gz MYEOTKVHIMKDKU-MRXNPFEDSA-N 1 2 278.359 3.400 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2[nH+]cnc3[nH]c4cc(F)ccc4c32)C1 ZINC000591827974 346940346 /nfs/dbraw/zinc/94/03/46/346940346.db2.gz FGMCTFWQXNMCLG-GXSJLCMTSA-N 1 2 295.321 3.354 20 30 CGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccncc1C#N ZINC000592100924 346962487 /nfs/dbraw/zinc/96/24/87/346962487.db2.gz LAVPUBJFQNLEPH-GXFFZTMASA-N 1 2 283.297 3.116 20 30 CGEDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccncc1C#N ZINC000592100924 346962492 /nfs/dbraw/zinc/96/24/92/346962492.db2.gz LAVPUBJFQNLEPH-GXFFZTMASA-N 1 2 283.297 3.116 20 30 CGEDLO N#Cc1cnccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000592100469 346962739 /nfs/dbraw/zinc/96/27/39/346962739.db2.gz XDFXTYGOGBUGLJ-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)CC[C@@H]1C(F)(F)F ZINC000592112967 346964445 /nfs/dbraw/zinc/96/44/45/346964445.db2.gz LVWOWJYHPVOIDE-ZDUSSCGKSA-N 1 2 297.324 3.364 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1C(F)(F)F ZINC000592112967 346964449 /nfs/dbraw/zinc/96/44/49/346964449.db2.gz LVWOWJYHPVOIDE-ZDUSSCGKSA-N 1 2 297.324 3.364 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CC2(CCCC2)O1 ZINC000592191421 346970159 /nfs/dbraw/zinc/97/01/59/346970159.db2.gz BZRWUJLYGDBDAY-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC2(CCCC2)O1 ZINC000592191421 346970161 /nfs/dbraw/zinc/97/01/61/346970161.db2.gz BZRWUJLYGDBDAY-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000593036773 347030330 /nfs/dbraw/zinc/03/03/30/347030330.db2.gz SZBFJHPGPNMPPI-CQSZACIVSA-N 1 2 294.402 3.284 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000593036773 347030332 /nfs/dbraw/zinc/03/03/32/347030332.db2.gz SZBFJHPGPNMPPI-CQSZACIVSA-N 1 2 294.402 3.284 20 30 CGEDLO C[N@H+]1CCN(CCCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593090872 347038460 /nfs/dbraw/zinc/03/84/60/347038460.db2.gz YUZHYTMOYQBYGH-SFHVURJKSA-N 1 2 299.462 3.175 20 30 CGEDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000354018509 282335333 /nfs/dbraw/zinc/33/53/33/282335333.db2.gz QJJGZWBGDDURIS-SOFGYWHQSA-N 1 2 273.336 3.090 20 30 CGEDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000354018509 282335335 /nfs/dbraw/zinc/33/53/35/282335335.db2.gz QJJGZWBGDDURIS-SOFGYWHQSA-N 1 2 273.336 3.090 20 30 CGEDLO CCOc1ccccc1Oc1ccc(C[NH2+]CCC#N)cn1 ZINC000573676465 334956543 /nfs/dbraw/zinc/95/65/43/334956543.db2.gz KWOSSGYIEKVJJF-UHFFFAOYSA-N 1 2 297.358 3.276 20 30 CGEDLO C=CC[N@@H+](CC(=O)N(CC)CC(=C)C)Cc1cccs1 ZINC000050274459 345079726 /nfs/dbraw/zinc/07/97/26/345079726.db2.gz GJZKVGWGGQGSHI-UHFFFAOYSA-N 1 2 292.448 3.161 20 30 CGEDLO C=CC[N@H+](CC(=O)N(CC)CC(=C)C)Cc1cccs1 ZINC000050274459 345079730 /nfs/dbraw/zinc/07/97/30/345079730.db2.gz GJZKVGWGGQGSHI-UHFFFAOYSA-N 1 2 292.448 3.161 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052247773 345101479 /nfs/dbraw/zinc/10/14/79/345101479.db2.gz MARCBGFZVVLJAA-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052247773 345101482 /nfs/dbraw/zinc/10/14/82/345101482.db2.gz MARCBGFZVVLJAA-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000076119324 345535080 /nfs/dbraw/zinc/53/50/80/345535080.db2.gz GIXDXJOCLSXACD-GOSISDBHSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000076119324 345535085 /nfs/dbraw/zinc/53/50/85/345535085.db2.gz GIXDXJOCLSXACD-GOSISDBHSA-N 1 2 278.355 3.132 20 30 CGEDLO C=CC[N@@H+](Cc1csc(COC)n1)Cc1ccccc1 ZINC000075596052 345515052 /nfs/dbraw/zinc/51/50/52/345515052.db2.gz YSMOQPGEMRGXKJ-UHFFFAOYSA-N 1 2 288.416 3.478 20 30 CGEDLO C=CC[N@H+](Cc1csc(COC)n1)Cc1ccccc1 ZINC000075596052 345515054 /nfs/dbraw/zinc/51/50/54/345515054.db2.gz YSMOQPGEMRGXKJ-UHFFFAOYSA-N 1 2 288.416 3.478 20 30 CGEDLO CC[N@@H+](Cc1cc2ccccc2nc1OC)C[C@H](C)C#N ZINC000091982917 345827224 /nfs/dbraw/zinc/82/72/24/345827224.db2.gz VONXBFINYIDXPB-CYBMUJFWSA-N 1 2 283.375 3.225 20 30 CGEDLO CC[N@H+](Cc1cc2ccccc2nc1OC)C[C@H](C)C#N ZINC000091982917 345827227 /nfs/dbraw/zinc/82/72/27/345827227.db2.gz VONXBFINYIDXPB-CYBMUJFWSA-N 1 2 283.375 3.225 20 30 CGEDLO C[C@@H]1C[C@H](C[NH+]=Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000271347447 346411572 /nfs/dbraw/zinc/41/15/72/346411572.db2.gz KQTQGSQZEVGCQV-JHIOMVTJSA-N 1 2 284.359 3.174 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncn1C(C)C)c1ccc(F)cc1 ZINC000491812896 346629892 /nfs/dbraw/zinc/62/98/92/346629892.db2.gz PBKJJYHCCZHHPR-MRXNPFEDSA-N 1 2 271.339 3.067 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000593698154 347105975 /nfs/dbraw/zinc/10/59/75/347105975.db2.gz PQIVFIHRIQMTNW-ZDUSSCGKSA-N 1 2 294.420 3.172 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000593698154 347105981 /nfs/dbraw/zinc/10/59/81/347105981.db2.gz PQIVFIHRIQMTNW-ZDUSSCGKSA-N 1 2 294.420 3.172 20 30 CGEDLO Cc1ccc(C#N)nc1NCc1ccccc1-n1cc[nH+]c1 ZINC000589113635 346783455 /nfs/dbraw/zinc/78/34/55/346783455.db2.gz XJFHWWUILKUYSV-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO COc1ccc(OC)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028050 347139451 /nfs/dbraw/zinc/13/94/51/347139451.db2.gz AASIPILAMAYNRA-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccc(OC)c(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594028050 347139456 /nfs/dbraw/zinc/13/94/56/347139456.db2.gz AASIPILAMAYNRA-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO N#CCCCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000594273986 347168311 /nfs/dbraw/zinc/16/83/11/347168311.db2.gz UFTVTQIYBMLDQQ-UHFFFAOYSA-N 1 2 268.320 3.099 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccccc2F)nc1C ZINC000594597562 347199221 /nfs/dbraw/zinc/19/92/21/347199221.db2.gz OBHQJKSZDYEVTH-UHFFFAOYSA-N 1 2 286.354 3.055 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccccc2F)nc1C ZINC000594597562 347199225 /nfs/dbraw/zinc/19/92/25/347199225.db2.gz OBHQJKSZDYEVTH-UHFFFAOYSA-N 1 2 286.354 3.055 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1scnc1C1CC1)C2 ZINC000594616004 347204870 /nfs/dbraw/zinc/20/48/70/347204870.db2.gz VEGMFEUTFZXOJP-UHFFFAOYSA-N 1 2 281.384 3.408 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1scnc1C1CC1)C2 ZINC000594616004 347204871 /nfs/dbraw/zinc/20/48/71/347204871.db2.gz VEGMFEUTFZXOJP-UHFFFAOYSA-N 1 2 281.384 3.408 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000594754345 347216461 /nfs/dbraw/zinc/21/64/61/347216461.db2.gz XZLKISWMSGWWEP-UHFFFAOYSA-N 1 2 269.348 3.197 20 30 CGEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(C#N)cc1F ZINC000595000281 347252928 /nfs/dbraw/zinc/25/29/28/347252928.db2.gz JGHIKOCUFXHPLD-UHFFFAOYSA-N 1 2 270.298 3.468 20 30 CGEDLO Cn1nc(C[NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000594981907 347248898 /nfs/dbraw/zinc/24/88/98/347248898.db2.gz VLGLAEGOVYJQPN-UHFFFAOYSA-N 1 2 282.391 3.137 20 30 CGEDLO C=CCCSCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000595059821 347273910 /nfs/dbraw/zinc/27/39/10/347273910.db2.gz PJCZIMQZLLRPRV-CQSZACIVSA-N 1 2 294.468 3.325 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000595816935 347359241 /nfs/dbraw/zinc/35/92/41/347359241.db2.gz ZNMFPNYOJPUHPL-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000595816935 347359243 /nfs/dbraw/zinc/35/92/43/347359243.db2.gz ZNMFPNYOJPUHPL-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO CC[N@H+](CCCc1c(F)cccc1F)[C@H](C)C#N ZINC000595817134 347359258 /nfs/dbraw/zinc/35/92/58/347359258.db2.gz HBQULWWKEINXQK-LLVKDONJSA-N 1 2 252.308 3.131 20 30 CGEDLO CC[N@@H+](CCCc1c(F)cccc1F)[C@H](C)C#N ZINC000595817134 347359260 /nfs/dbraw/zinc/35/92/60/347359260.db2.gz HBQULWWKEINXQK-LLVKDONJSA-N 1 2 252.308 3.131 20 30 CGEDLO C[C@H](C#N)[N@H+](CCCOCCc1ccccc1)C1CC1 ZINC000595714624 347345833 /nfs/dbraw/zinc/34/58/33/347345833.db2.gz XAPXLCDHHJZZCN-OAHLLOKOSA-N 1 2 272.392 3.012 20 30 CGEDLO C[C@H](C#N)[N@@H+](CCCOCCc1ccccc1)C1CC1 ZINC000595714624 347345836 /nfs/dbraw/zinc/34/58/36/347345836.db2.gz XAPXLCDHHJZZCN-OAHLLOKOSA-N 1 2 272.392 3.012 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000595843280 347366257 /nfs/dbraw/zinc/36/62/57/347366257.db2.gz KECLFFVEXXUFBR-AWEZNQCLSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000595843280 347366263 /nfs/dbraw/zinc/36/62/63/347366263.db2.gz KECLFFVEXXUFBR-AWEZNQCLSA-N 1 2 282.746 3.093 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC000595842283 347366578 /nfs/dbraw/zinc/36/65/78/347366578.db2.gz YWBVNQJIDOGPLP-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC000595842283 347366580 /nfs/dbraw/zinc/36/65/80/347366580.db2.gz YWBVNQJIDOGPLP-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000595923253 347372763 /nfs/dbraw/zinc/37/27/63/347372763.db2.gz WWBBATCHZIAMQM-WBMJQRKESA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1C#N ZINC000595923253 347372764 /nfs/dbraw/zinc/37/27/64/347372764.db2.gz WWBBATCHZIAMQM-WBMJQRKESA-N 1 2 294.345 3.111 20 30 CGEDLO COc1cccc2c1cc[nH+]c2N1CCC[C@H](CC#N)C1 ZINC000596325183 347417882 /nfs/dbraw/zinc/41/78/82/347417882.db2.gz HTSRWBRLHQWOHA-CYBMUJFWSA-N 1 2 281.359 3.373 20 30 CGEDLO CC(C)(C)c1cc(N2CC(CC#N)C2)nc(C(C)(C)C)[nH+]1 ZINC000596433497 347455873 /nfs/dbraw/zinc/45/58/73/347455873.db2.gz PHOHLHPZQPOQDY-UHFFFAOYSA-N 1 2 286.423 3.421 20 30 CGEDLO Cn1ncc(C2CC2)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000596995003 347525911 /nfs/dbraw/zinc/52/59/11/347525911.db2.gz HEUREQCBFZKLDS-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO Cn1ncc(C2CC2)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000596995003 347525913 /nfs/dbraw/zinc/52/59/13/347525913.db2.gz HEUREQCBFZKLDS-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO C[N@H+](Cc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597014409 347527569 /nfs/dbraw/zinc/52/75/69/347527569.db2.gz OJVPUTFMJRCDPU-UHFFFAOYSA-N 1 2 283.400 3.330 20 30 CGEDLO C[N@@H+](Cc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597014409 347527572 /nfs/dbraw/zinc/52/75/72/347527572.db2.gz OJVPUTFMJRCDPU-UHFFFAOYSA-N 1 2 283.400 3.330 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230696 347558516 /nfs/dbraw/zinc/55/85/16/347558516.db2.gz IBGHSSPKUAAJBR-KRWDZBQOSA-N 1 2 298.365 3.055 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230696 347558519 /nfs/dbraw/zinc/55/85/19/347558519.db2.gz IBGHSSPKUAAJBR-KRWDZBQOSA-N 1 2 298.365 3.055 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229595 347558564 /nfs/dbraw/zinc/55/85/64/347558564.db2.gz MYIDGEXYJXRMSF-GOSISDBHSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229595 347558566 /nfs/dbraw/zinc/55/85/66/347558566.db2.gz MYIDGEXYJXRMSF-GOSISDBHSA-N 1 2 294.402 3.225 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597229486 347558671 /nfs/dbraw/zinc/55/86/71/347558671.db2.gz BCCWVMQQTKUEGB-GWQWAINWSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597229486 347558674 /nfs/dbraw/zinc/55/86/74/347558674.db2.gz BCCWVMQQTKUEGB-GWQWAINWSA-N 1 2 262.303 3.214 20 30 CGEDLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)CC(C)(C)C#N ZINC000598703122 347680528 /nfs/dbraw/zinc/68/05/28/347680528.db2.gz CMMFBMFKPRVQON-ZDUSSCGKSA-N 1 2 285.391 3.290 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600595955 347812601 /nfs/dbraw/zinc/81/26/01/347812601.db2.gz RSZNPIBKBZZPRS-HZPDHXFCSA-N 1 2 293.382 3.244 20 30 CGEDLO CC(C)Oc1ncccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602002201 347931936 /nfs/dbraw/zinc/93/19/36/347931936.db2.gz DAVBUMHUTLAHMV-UHFFFAOYSA-N 1 2 299.349 3.169 20 30 CGEDLO COc1cccc(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000602462655 347962021 /nfs/dbraw/zinc/96/20/21/347962021.db2.gz NYSVZQBBZJISAR-UHFFFAOYSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cccc(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000602462655 347962025 /nfs/dbraw/zinc/96/20/25/347962025.db2.gz NYSVZQBBZJISAR-UHFFFAOYSA-N 1 2 258.365 3.129 20 30 CGEDLO COCCc1ncc(C[N@H+](CCC#N)CC(C)(C)C)s1 ZINC000602465196 347962839 /nfs/dbraw/zinc/96/28/39/347962839.db2.gz KRUSJGGKXYNZOT-UHFFFAOYSA-N 1 2 295.452 3.094 20 30 CGEDLO COCCc1ncc(C[N@@H+](CCC#N)CC(C)(C)C)s1 ZINC000602465196 347962843 /nfs/dbraw/zinc/96/28/43/347962843.db2.gz KRUSJGGKXYNZOT-UHFFFAOYSA-N 1 2 295.452 3.094 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602470206 347963728 /nfs/dbraw/zinc/96/37/28/347963728.db2.gz XMMUYKHEOFOABG-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602470206 347963731 /nfs/dbraw/zinc/96/37/31/347963731.db2.gz XMMUYKHEOFOABG-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO N#CC1CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000602574734 347985740 /nfs/dbraw/zinc/98/57/40/347985740.db2.gz MKYJJKBUZIKYIR-UHFFFAOYSA-N 1 2 270.380 3.176 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000602674712 348006649 /nfs/dbraw/zinc/00/66/49/348006649.db2.gz ZHZGOYBXYDFSJV-AWEZNQCLSA-N 1 2 280.375 3.128 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000602674712 348006651 /nfs/dbraw/zinc/00/66/51/348006651.db2.gz ZHZGOYBXYDFSJV-AWEZNQCLSA-N 1 2 280.375 3.128 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000602679575 348007374 /nfs/dbraw/zinc/00/73/74/348007374.db2.gz HPLCINYCZSYIBG-INIZCTEOSA-N 1 2 279.343 3.273 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)n1 ZINC000602679575 348007376 /nfs/dbraw/zinc/00/73/76/348007376.db2.gz HPLCINYCZSYIBG-INIZCTEOSA-N 1 2 279.343 3.273 20 30 CGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)CC1(CC#N)CC1 ZINC000602786818 348029126 /nfs/dbraw/zinc/02/91/26/348029126.db2.gz YQYLUTOUPGKCNO-UHFFFAOYSA-N 1 2 289.326 3.288 20 30 CGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)CC1(CC#N)CC1 ZINC000602786818 348029129 /nfs/dbraw/zinc/02/91/29/348029129.db2.gz YQYLUTOUPGKCNO-UHFFFAOYSA-N 1 2 289.326 3.288 20 30 CGEDLO COc1cccc(C)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000602711340 348015822 /nfs/dbraw/zinc/01/58/22/348015822.db2.gz OEZFZSLHVYNVBH-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cccc(C)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000602711340 348015823 /nfs/dbraw/zinc/01/58/23/348015823.db2.gz OEZFZSLHVYNVBH-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2ccsc2)O1 ZINC000602787833 348029651 /nfs/dbraw/zinc/02/96/51/348029651.db2.gz KLKKIOBPMYQIFV-JSGCOSHPSA-N 1 2 276.405 3.204 20 30 CGEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2ccsc2)O1 ZINC000602787833 348029654 /nfs/dbraw/zinc/02/96/54/348029654.db2.gz KLKKIOBPMYQIFV-JSGCOSHPSA-N 1 2 276.405 3.204 20 30 CGEDLO Cc1nc(C#N)n(Cc2ccc(C(C)C)[nH+]c2C)c1C ZINC000603347585 348073303 /nfs/dbraw/zinc/07/33/03/348073303.db2.gz FHFGEQDANPTOHW-UHFFFAOYSA-N 1 2 268.364 3.247 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cnc(OC)c2ccccc12 ZINC000602838131 348035476 /nfs/dbraw/zinc/03/54/76/348035476.db2.gz RCLWQJISQRINPM-UHFFFAOYSA-N 1 2 281.359 3.145 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cnc(OC)c2ccccc12 ZINC000602838131 348035478 /nfs/dbraw/zinc/03/54/78/348035478.db2.gz RCLWQJISQRINPM-UHFFFAOYSA-N 1 2 281.359 3.145 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc(Br)cc(F)c1F ZINC000602869008 348039262 /nfs/dbraw/zinc/03/92/62/348039262.db2.gz FGLDCTCWSFATCZ-SSDOTTSWSA-N 1 2 289.123 3.119 20 30 CGEDLO C[N@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602975878 348048577 /nfs/dbraw/zinc/04/85/77/348048577.db2.gz IGRDCVAZDLLUHQ-QMTHXVAHSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602975878 348048579 /nfs/dbraw/zinc/04/85/79/348048579.db2.gz IGRDCVAZDLLUHQ-QMTHXVAHSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1F)[C@H]1CCC[C@H]1C#N ZINC000602974382 348048605 /nfs/dbraw/zinc/04/86/05/348048605.db2.gz NMIIDZPDNAHBFD-GWCFXTLKSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[C@H]1C#N ZINC000602974382 348048606 /nfs/dbraw/zinc/04/86/06/348048606.db2.gz NMIIDZPDNAHBFD-GWCFXTLKSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602974789 348048627 /nfs/dbraw/zinc/04/86/27/348048627.db2.gz UDZBQHILCSGLFA-DGCLKSJQSA-N 1 2 280.318 3.412 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602974789 348048629 /nfs/dbraw/zinc/04/86/29/348048629.db2.gz UDZBQHILCSGLFA-DGCLKSJQSA-N 1 2 280.318 3.412 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976759 348048683 /nfs/dbraw/zinc/04/86/83/348048683.db2.gz SIHGBXRVCOHVNU-ZFWWWQNUSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976759 348048684 /nfs/dbraw/zinc/04/86/84/348048684.db2.gz SIHGBXRVCOHVNU-ZFWWWQNUSA-N 1 2 258.365 3.128 20 30 CGEDLO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[C@@H]1C#N ZINC000602977007 348049416 /nfs/dbraw/zinc/04/94/16/348049416.db2.gz WJNUUIZDHFOYME-YPMHNXCESA-N 1 2 292.766 3.193 20 30 CGEDLO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[C@@H]1C#N ZINC000602977007 348049417 /nfs/dbraw/zinc/04/94/17/348049417.db2.gz WJNUUIZDHFOYME-YPMHNXCESA-N 1 2 292.766 3.193 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)cnc21 ZINC000602976922 348049478 /nfs/dbraw/zinc/04/94/78/348049478.db2.gz VIKWPUOMCSWABJ-HOCLYGCPSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)cnc21 ZINC000602976922 348049480 /nfs/dbraw/zinc/04/94/80/348049480.db2.gz VIKWPUOMCSWABJ-HOCLYGCPSA-N 1 2 297.406 3.136 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@H]1CCC[C@H]1C#N ZINC000602980176 348050184 /nfs/dbraw/zinc/05/01/84/348050184.db2.gz MSYMHYRMLTZGTI-IRXDYDNUSA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)[C@H]1CCC[C@H]1C#N ZINC000602980176 348050186 /nfs/dbraw/zinc/05/01/86/348050186.db2.gz MSYMHYRMLTZGTI-IRXDYDNUSA-N 1 2 292.386 3.268 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602980270 348050314 /nfs/dbraw/zinc/05/03/14/348050314.db2.gz OBSGWEIDMCSBRA-ABAIWWIYSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602980270 348050317 /nfs/dbraw/zinc/05/03/17/348050317.db2.gz OBSGWEIDMCSBRA-ABAIWWIYSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980618 348050320 /nfs/dbraw/zinc/05/03/20/348050320.db2.gz SJBOPUOHIYAKGH-GDBMZVCRSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980618 348050323 /nfs/dbraw/zinc/05/03/23/348050323.db2.gz SJBOPUOHIYAKGH-GDBMZVCRSA-N 1 2 272.779 3.316 20 30 CGEDLO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1Cl ZINC000602981947 348051526 /nfs/dbraw/zinc/05/15/26/348051526.db2.gz LRAOVSGIZGWEPZ-YPMHNXCESA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1Cl ZINC000602981947 348051528 /nfs/dbraw/zinc/05/15/28/348051528.db2.gz LRAOVSGIZGWEPZ-YPMHNXCESA-N 1 2 278.783 3.473 20 30 CGEDLO CC[N@H+](CCC(F)(F)F)Cc1ccccc1C#N ZINC000604525302 348123678 /nfs/dbraw/zinc/12/36/78/348123678.db2.gz KMZWJRRCIUJRBY-UHFFFAOYSA-N 1 2 256.271 3.333 20 30 CGEDLO CC[N@@H+](CCC(F)(F)F)Cc1ccccc1C#N ZINC000604525302 348123681 /nfs/dbraw/zinc/12/36/81/348123681.db2.gz KMZWJRRCIUJRBY-UHFFFAOYSA-N 1 2 256.271 3.333 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)s1 ZINC000611262812 348433200 /nfs/dbraw/zinc/43/32/00/348433200.db2.gz FXDXYLOTMXCGIV-UHFFFAOYSA-N 1 2 270.357 3.014 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3ccccc3C2)s1 ZINC000611262812 348433202 /nfs/dbraw/zinc/43/32/02/348433202.db2.gz FXDXYLOTMXCGIV-UHFFFAOYSA-N 1 2 270.357 3.014 20 30 CGEDLO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(C#N)cc1 ZINC000611381789 348442994 /nfs/dbraw/zinc/44/29/94/348442994.db2.gz URBRGNIKELFMKI-LBPRGKRZSA-N 1 2 281.359 3.276 20 30 CGEDLO Cc1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)o1 ZINC000611407029 348447345 /nfs/dbraw/zinc/44/73/45/348447345.db2.gz VJTNIDRPGSVFGN-AWEZNQCLSA-N 1 2 255.321 3.118 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000611465514 348453766 /nfs/dbraw/zinc/45/37/66/348453766.db2.gz HIZXQGJDBLNUMP-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612166895 348499499 /nfs/dbraw/zinc/49/94/99/348499499.db2.gz YAOYCJBRAUHEFE-KRWDZBQOSA-N 1 2 287.407 3.385 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612166895 348499502 /nfs/dbraw/zinc/49/95/02/348499502.db2.gz YAOYCJBRAUHEFE-KRWDZBQOSA-N 1 2 287.407 3.385 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000612406341 348517589 /nfs/dbraw/zinc/51/75/89/348517589.db2.gz KHUCZKVEDFYUGH-IEXSPKMKSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000612406341 348517590 /nfs/dbraw/zinc/51/75/90/348517590.db2.gz KHUCZKVEDFYUGH-IEXSPKMKSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000612406365 348517615 /nfs/dbraw/zinc/51/76/15/348517615.db2.gz KKBIKQXTKMEVCL-KRWDZBQOSA-N 1 2 265.360 3.360 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000612406365 348517616 /nfs/dbraw/zinc/51/76/16/348517616.db2.gz KKBIKQXTKMEVCL-KRWDZBQOSA-N 1 2 265.360 3.360 20 30 CGEDLO CCc1cc(N2CC[C@@](F)(C#N)C2)c2ccccc2[nH+]1 ZINC000615530342 348747372 /nfs/dbraw/zinc/74/73/72/348747372.db2.gz HBYONGBFIITFKY-MRXNPFEDSA-N 1 2 269.323 3.239 20 30 CGEDLO C=CCCC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC000617418047 348960123 /nfs/dbraw/zinc/96/01/23/348960123.db2.gz QKJKNMPUAFMXQR-HNNXBMFYSA-N 1 2 289.423 3.477 20 30 CGEDLO Cc1[nH]c2ccc(CSc3cc(C#N)ccn3)cc2[nH+]1 ZINC000358850542 233203254 /nfs/dbraw/zinc/20/32/54/233203254.db2.gz AQHFHMATUZVXST-UHFFFAOYSA-N 1 2 280.356 3.430 20 30 CGEDLO Cc1[nH]c2cc(CSc3cc(C#N)ccn3)ccc2[nH+]1 ZINC000358850542 233203257 /nfs/dbraw/zinc/20/32/57/233203257.db2.gz AQHFHMATUZVXST-UHFFFAOYSA-N 1 2 280.356 3.430 20 30 CGEDLO C=C[C@H]([NH2+][C@@H](C)CCC1CCCCC1)C(=O)OC ZINC000619701392 349276238 /nfs/dbraw/zinc/27/62/38/349276238.db2.gz HFVKSBFJIPJXKC-JSGCOSHPSA-N 1 2 253.386 3.053 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1ccncc1Br ZINC000625063288 350125047 /nfs/dbraw/zinc/12/50/47/350125047.db2.gz IKWZPSOIKNAIJP-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1ccncc1Br ZINC000625063288 350125053 /nfs/dbraw/zinc/12/50/53/350125053.db2.gz IKWZPSOIKNAIJP-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO C=C(C)CN(CC)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630718224 350877733 /nfs/dbraw/zinc/87/77/33/350877733.db2.gz KHFLMJSYRKYZIX-UHFFFAOYSA-N 1 2 269.348 3.115 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccs3)CCO2)c1 ZINC000336518302 213397281 /nfs/dbraw/zinc/39/72/81/213397281.db2.gz LAMTWKSTEYEWEC-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccs3)CCO2)c1 ZINC000336518302 213397284 /nfs/dbraw/zinc/39/72/84/213397284.db2.gz LAMTWKSTEYEWEC-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO C=CCCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC000636160129 351727158 /nfs/dbraw/zinc/72/71/58/351727158.db2.gz MLWDFJZWBALTDJ-ZIAGYGMSSA-N 1 2 287.407 3.156 20 30 CGEDLO C=CCCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC000636160129 351727162 /nfs/dbraw/zinc/72/71/62/351727162.db2.gz MLWDFJZWBALTDJ-ZIAGYGMSSA-N 1 2 287.407 3.156 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000122538674 187037252 /nfs/dbraw/zinc/03/72/52/187037252.db2.gz LIMXGZIFUYGUBG-UHFFFAOYSA-N 1 2 299.418 3.066 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc4c(c3)CCC4)n2c1 ZINC000123394689 187089409 /nfs/dbraw/zinc/08/94/09/187089409.db2.gz OTFJPQDXCPMYKT-UHFFFAOYSA-N 1 2 288.354 3.307 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CC1 ZINC000271544062 191203193 /nfs/dbraw/zinc/20/31/93/191203193.db2.gz ZKNWNQRMCRNWBS-UHFFFAOYSA-N 1 2 288.376 3.002 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CC1 ZINC000271544062 191203196 /nfs/dbraw/zinc/20/31/96/191203196.db2.gz ZKNWNQRMCRNWBS-UHFFFAOYSA-N 1 2 288.376 3.002 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000179072607 283214156 /nfs/dbraw/zinc/21/41/56/283214156.db2.gz ZYNQPQMWTCSQLB-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000179072607 283214158 /nfs/dbraw/zinc/21/41/58/283214158.db2.gz ZYNQPQMWTCSQLB-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1csc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000093685870 138348620 /nfs/dbraw/zinc/34/86/20/138348620.db2.gz DMFOEJYYXGLNMO-UHFFFAOYSA-N 1 2 280.356 3.418 20 30 CGEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000176968216 189017269 /nfs/dbraw/zinc/01/72/69/189017269.db2.gz RTBDTJQKRNVMQY-SECBINFHSA-N 1 2 277.418 3.489 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C#N)s1 ZINC000179095186 189168948 /nfs/dbraw/zinc/16/89/48/189168948.db2.gz XQKZXEVEEUAWGI-NSHDSACASA-N 1 2 257.362 3.174 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccccc1C#N ZINC000120274441 370754874 /nfs/dbraw/zinc/75/48/74/370754874.db2.gz JHAMBFNBOHGOCO-UHFFFAOYSA-N 1 2 273.767 3.182 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccccc1C#N ZINC000120274441 370754876 /nfs/dbraw/zinc/75/48/76/370754876.db2.gz JHAMBFNBOHGOCO-UHFFFAOYSA-N 1 2 273.767 3.182 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)c(F)c1 ZINC000335669218 212388265 /nfs/dbraw/zinc/38/82/65/212388265.db2.gz KJSRIQUNDFZFKG-HNNXBMFYSA-N 1 2 286.281 3.060 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451114748 240221538 /nfs/dbraw/zinc/22/15/38/240221538.db2.gz FDMAYSZTYWZXKP-INIZCTEOSA-N 1 2 271.339 3.135 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451114748 240221540 /nfs/dbraw/zinc/22/15/40/240221540.db2.gz FDMAYSZTYWZXKP-INIZCTEOSA-N 1 2 271.339 3.135 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000121395478 370857314 /nfs/dbraw/zinc/85/73/14/370857314.db2.gz HMXGPWPQVCPNKZ-UHFFFAOYSA-N 1 2 288.372 3.157 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000121395478 370857318 /nfs/dbraw/zinc/85/73/18/370857318.db2.gz HMXGPWPQVCPNKZ-UHFFFAOYSA-N 1 2 288.372 3.157 20 30 CGEDLO C=C(Br)C[NH2+][C@](C)(CC)c1nccs1 ZINC000125471207 370937206 /nfs/dbraw/zinc/93/72/06/370937206.db2.gz BQZOLTMGQZNYAS-SNVBAGLBSA-N 1 2 275.215 3.267 20 30 CGEDLO N#Cc1ccc(NCc2cn3ccccc3[nH+]2)cc1Cl ZINC000036964045 369042768 /nfs/dbraw/zinc/04/27/68/369042768.db2.gz KHTGZUXXNWSUMN-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OCC1CC1 ZINC000127657583 370954957 /nfs/dbraw/zinc/95/49/57/370954957.db2.gz WZQKQDUCCQLFFB-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCC1CC1 ZINC000127657583 370954966 /nfs/dbraw/zinc/95/49/66/370954966.db2.gz WZQKQDUCCQLFFB-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C#N)CC1 ZINC000057878655 369550186 /nfs/dbraw/zinc/55/01/86/369550186.db2.gz GCSXERNKFTYDJO-SNVBAGLBSA-N 1 2 288.376 3.095 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)CC#N ZINC000058575405 369571805 /nfs/dbraw/zinc/57/18/05/369571805.db2.gz VUINZNIQCGOYAR-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000058575405 369571808 /nfs/dbraw/zinc/57/18/08/369571808.db2.gz VUINZNIQCGOYAR-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000066215708 369690221 /nfs/dbraw/zinc/69/02/21/369690221.db2.gz GXOFDQMTXRSNCH-UHFFFAOYSA-N 1 2 272.392 3.224 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066849369 369706897 /nfs/dbraw/zinc/70/68/97/369706897.db2.gz YQZAQYYARUGMBH-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066849369 369706903 /nfs/dbraw/zinc/70/69/03/369706903.db2.gz YQZAQYYARUGMBH-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(C)o1)[C@H]1CCc2ccccc21 ZINC000072577955 369825619 /nfs/dbraw/zinc/82/56/19/369825619.db2.gz OODCTRXOFPMODP-INIZCTEOSA-N 1 2 266.344 3.106 20 30 CGEDLO C#CC[N@H+](Cc1ncc(C)o1)[C@H]1CCc2ccccc21 ZINC000072577955 369825624 /nfs/dbraw/zinc/82/56/24/369825624.db2.gz OODCTRXOFPMODP-INIZCTEOSA-N 1 2 266.344 3.106 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(F)cc1Cl ZINC000072590317 369826909 /nfs/dbraw/zinc/82/69/09/369826909.db2.gz ZMBAXKQNTVVUDC-UHFFFAOYSA-N 1 2 282.746 3.092 20 30 CGEDLO N#CC[N@H+](Cc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000093563122 370141017 /nfs/dbraw/zinc/14/10/17/370141017.db2.gz RHXNQOKGZVZVRQ-UHFFFAOYSA-N 1 2 280.375 3.140 20 30 CGEDLO N#CC[N@@H+](Cc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000093563122 370141021 /nfs/dbraw/zinc/14/10/21/370141021.db2.gz RHXNQOKGZVZVRQ-UHFFFAOYSA-N 1 2 280.375 3.140 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103141725 370320013 /nfs/dbraw/zinc/32/00/13/370320013.db2.gz ZYEMXKJTCLSMFK-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000103141725 370320016 /nfs/dbraw/zinc/32/00/16/370320016.db2.gz ZYEMXKJTCLSMFK-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO Cc1ccc(OC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000116994209 370576651 /nfs/dbraw/zinc/57/66/51/370576651.db2.gz FQIRYWZAUTYCEZ-MRXNPFEDSA-N 1 2 297.402 3.282 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)oc2c1C ZINC000129559682 370992670 /nfs/dbraw/zinc/99/26/70/370992670.db2.gz RCGQBHWRLTWONZ-LBPRGKRZSA-N 1 2 284.359 3.144 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)[C@@H](C)CC#N)cc(=O)oc2c1C ZINC000129559682 370992677 /nfs/dbraw/zinc/99/26/77/370992677.db2.gz RCGQBHWRLTWONZ-LBPRGKRZSA-N 1 2 284.359 3.144 20 30 CGEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000130637840 371048487 /nfs/dbraw/zinc/04/84/87/371048487.db2.gz TWRXDQVNIWLKLJ-SUMWQHHRSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000130637840 371048493 /nfs/dbraw/zinc/04/84/93/371048493.db2.gz TWRXDQVNIWLKLJ-SUMWQHHRSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]([NH2+]CCC#N)c1ccc(Br)cc1F ZINC000131893215 371137683 /nfs/dbraw/zinc/13/76/83/371137683.db2.gz MHHSDWRPZMHCQI-MRVPVSSYSA-N 1 2 271.133 3.152 20 30 CGEDLO N#CC1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC1 ZINC000134736836 371361378 /nfs/dbraw/zinc/36/13/78/371361378.db2.gz KNIWJOGZUFXGFK-UHFFFAOYSA-N 1 2 294.358 3.463 20 30 CGEDLO C=CC[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000150888360 371545864 /nfs/dbraw/zinc/54/58/64/371545864.db2.gz GGCVTUKLZBVPID-GFCCVEGCSA-N 1 2 284.363 3.173 20 30 CGEDLO C=CC[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196781 372116810 /nfs/dbraw/zinc/11/68/10/372116810.db2.gz YBOJZHWKJBTSTO-HIFRSBDPSA-N 1 2 283.375 3.013 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(F)c1F ZINC000159439426 372144273 /nfs/dbraw/zinc/14/42/73/372144273.db2.gz ROFUKMIPDMGKDH-GHMZBOCLSA-N 1 2 263.291 3.059 20 30 CGEDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000428972032 372294502 /nfs/dbraw/zinc/29/45/02/372294502.db2.gz WSTVBOIZYCYUON-UHFFFAOYSA-N 1 2 287.338 3.327 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOC1CCCCCC1 ZINC000428836494 372266785 /nfs/dbraw/zinc/26/67/85/372266785.db2.gz BLSJVEFEBRBRKZ-UHFFFAOYSA-N 1 2 250.386 3.127 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOC1CCCCCC1 ZINC000428836494 372266792 /nfs/dbraw/zinc/26/67/92/372266792.db2.gz BLSJVEFEBRBRKZ-UHFFFAOYSA-N 1 2 250.386 3.127 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@H]1[C@H]1CCCO1 ZINC000428997215 372301252 /nfs/dbraw/zinc/30/12/52/372301252.db2.gz SUEMQNFFZPXAAC-CVEARBPZSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1[C@H]1CCCO1 ZINC000428997215 372301257 /nfs/dbraw/zinc/30/12/57/372301257.db2.gz SUEMQNFFZPXAAC-CVEARBPZSA-N 1 2 288.366 3.087 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000429858942 372379155 /nfs/dbraw/zinc/37/91/55/372379155.db2.gz OJNMSUMHVZOTLN-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO C[N@H+](Cc1cccc(OC(C)(C)C)n1)CC(C)(C)C#N ZINC000433291330 372585345 /nfs/dbraw/zinc/58/53/45/372585345.db2.gz VQBKTXRFLFAWFK-UHFFFAOYSA-N 1 2 275.396 3.240 20 30 CGEDLO C[N@@H+](Cc1cccc(OC(C)(C)C)n1)CC(C)(C)C#N ZINC000433291330 372585350 /nfs/dbraw/zinc/58/53/50/372585350.db2.gz VQBKTXRFLFAWFK-UHFFFAOYSA-N 1 2 275.396 3.240 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000440477729 372985583 /nfs/dbraw/zinc/98/55/83/372985583.db2.gz JRPWHQASCGHIGO-UHFFFAOYSA-N 1 2 297.377 3.223 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cn1 ZINC000440477729 372985592 /nfs/dbraw/zinc/98/55/92/372985592.db2.gz JRPWHQASCGHIGO-UHFFFAOYSA-N 1 2 297.377 3.223 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1cc(Cl)ccc1Cl ZINC000175723914 373507773 /nfs/dbraw/zinc/50/77/73/373507773.db2.gz YMHUOQNTKFVUCB-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C[N@H+](CCC#N)CCOc1cc(Cl)ccc1Cl ZINC000175723914 373507777 /nfs/dbraw/zinc/50/77/77/373507777.db2.gz YMHUOQNTKFVUCB-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000299681893 373596292 /nfs/dbraw/zinc/59/62/92/373596292.db2.gz ZHPRKGNWGBAEHX-UHFFFAOYSA-N 1 2 269.776 3.125 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(-n2ccnc2)nc1 ZINC000177298581 373674348 /nfs/dbraw/zinc/67/43/48/373674348.db2.gz HSWKXUCSJDTFAQ-UHFFFAOYSA-N 1 2 297.406 3.029 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)nc1 ZINC000177298581 373674354 /nfs/dbraw/zinc/67/43/54/373674354.db2.gz HSWKXUCSJDTFAQ-UHFFFAOYSA-N 1 2 297.406 3.029 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2COc2ccccc2)n1 ZINC000449444621 373722068 /nfs/dbraw/zinc/72/20/68/373722068.db2.gz BQPLUYSRWVBRLA-AWEZNQCLSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2COc2ccccc2)n1 ZINC000449444621 373722075 /nfs/dbraw/zinc/72/20/75/373722075.db2.gz BQPLUYSRWVBRLA-AWEZNQCLSA-N 1 2 299.399 3.058 20 30 CGEDLO Cc1ccc(NCCCc2[nH]c3ccccc3[nH+]2)nc1C#N ZINC000302594431 373902375 /nfs/dbraw/zinc/90/23/75/373902375.db2.gz AUNZRGYPNRUIJR-UHFFFAOYSA-N 1 2 291.358 3.183 20 30 CGEDLO CCOc1ccc(C#N)cc1NCc1cccc2[nH+]ccn21 ZINC000181420862 374120046 /nfs/dbraw/zinc/12/00/46/374120046.db2.gz LUNNQPBDZNYYIN-UHFFFAOYSA-N 1 2 292.342 3.217 20 30 CGEDLO C=CC(C)(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000450723559 374174363 /nfs/dbraw/zinc/17/43/63/374174363.db2.gz ILXQGJTVDMXNRV-UHFFFAOYSA-N 1 2 260.385 3.091 20 30 CGEDLO C=CC(C)(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000450723559 374174367 /nfs/dbraw/zinc/17/43/67/374174367.db2.gz ILXQGJTVDMXNRV-UHFFFAOYSA-N 1 2 260.385 3.091 20 30 CGEDLO CC1(C)CCC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328973424 374398336 /nfs/dbraw/zinc/39/83/36/374398336.db2.gz VQCYJSIXKJYRTE-RYUDHWBXSA-N 1 2 275.396 3.440 20 30 CGEDLO CC1(C)CCC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328973424 374398340 /nfs/dbraw/zinc/39/83/40/374398340.db2.gz VQCYJSIXKJYRTE-RYUDHWBXSA-N 1 2 275.396 3.440 20 30 CGEDLO CC(C)[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000328788468 374382732 /nfs/dbraw/zinc/38/27/32/374382732.db2.gz XSTMEWKUXGYXHL-NQBHXWOUSA-N 1 2 277.368 3.069 20 30 CGEDLO Cc1cn2cc(NC(=O)CCC3CCOCC3)ccc2[nH+]1 ZINC000329827174 374434087 /nfs/dbraw/zinc/43/40/87/374434087.db2.gz RMZJKDNUNYAJHN-UHFFFAOYSA-N 1 2 287.363 3.438 20 30 CGEDLO Cc1cc(C)c2ncc(C#N)c(NCCn3cc[nH+]c3)c2c1 ZINC000183724024 374447367 /nfs/dbraw/zinc/44/73/67/374447367.db2.gz JNMZEFPMNJVPLF-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C1 ZINC000185725691 374725332 /nfs/dbraw/zinc/72/53/32/374725332.db2.gz JNINEZJPXNBSGT-GOEBONIOSA-N 1 2 299.418 3.142 20 30 CGEDLO N#C[C@H]1CCC[C@@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1 ZINC000185725691 374725339 /nfs/dbraw/zinc/72/53/39/374725339.db2.gz JNINEZJPXNBSGT-GOEBONIOSA-N 1 2 299.418 3.142 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470917105 375001393 /nfs/dbraw/zinc/00/13/93/375001393.db2.gz DNFPULDFNICCPA-GUYCJALGSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C2CC2)O1 ZINC000470917105 375001399 /nfs/dbraw/zinc/00/13/99/375001399.db2.gz DNFPULDFNICCPA-GUYCJALGSA-N 1 2 289.806 3.191 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000188394524 375208547 /nfs/dbraw/zinc/20/85/47/375208547.db2.gz XUPMZEAHRZOAOV-QGZVFWFLSA-N 1 2 290.407 3.268 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)CC(F)F ZINC000487931585 375286151 /nfs/dbraw/zinc/28/61/51/375286151.db2.gz PVPMAKBSIAVRHX-UHFFFAOYSA-N 1 2 252.308 3.344 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)c(C)c1)CC(F)F ZINC000487931585 375286155 /nfs/dbraw/zinc/28/61/55/375286155.db2.gz PVPMAKBSIAVRHX-UHFFFAOYSA-N 1 2 252.308 3.344 20 30 CGEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)c1ccccc1F ZINC000492006091 375391153 /nfs/dbraw/zinc/39/11/53/375391153.db2.gz ZKDLQYHVBNGIEO-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000491618369 375338304 /nfs/dbraw/zinc/33/83/04/375338304.db2.gz AYCFKARGGXOJML-SNVBAGLBSA-N 1 2 260.362 3.165 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000491618369 375338308 /nfs/dbraw/zinc/33/83/08/375338308.db2.gz AYCFKARGGXOJML-SNVBAGLBSA-N 1 2 260.362 3.165 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)c1cc(C)n(CCC(C)C)c1C ZINC000494713598 375491886 /nfs/dbraw/zinc/49/18/86/375491886.db2.gz XQOOJBAPFIRCTK-UHFFFAOYSA-N 1 2 276.424 3.452 20 30 CGEDLO C=CC[N@H+](C)CC(=O)c1cc(C)n(CCC(C)C)c1C ZINC000494713598 375491890 /nfs/dbraw/zinc/49/18/90/375491890.db2.gz XQOOJBAPFIRCTK-UHFFFAOYSA-N 1 2 276.424 3.452 20 30 CGEDLO N#CCC[N@@H+](Cc1scnc1C1CC1)CC1CC1 ZINC000494996600 375495082 /nfs/dbraw/zinc/49/50/82/375495082.db2.gz LWZZDSZMISPAPR-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO N#CCC[N@H+](Cc1scnc1C1CC1)CC1CC1 ZINC000494996600 375495093 /nfs/dbraw/zinc/49/50/93/375495093.db2.gz LWZZDSZMISPAPR-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000335893667 375520723 /nfs/dbraw/zinc/52/07/23/375520723.db2.gz VHLBFYUFRYSWIP-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000335893667 375520727 /nfs/dbraw/zinc/52/07/27/375520727.db2.gz VHLBFYUFRYSWIP-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nccn1-c1ccccc1 ZINC000191161788 375587183 /nfs/dbraw/zinc/58/71/83/375587183.db2.gz ZZTQOINQWLLREL-UHFFFAOYSA-N 1 2 253.349 3.046 20 30 CGEDLO CC(C)C[C@@H](C[N@H+](C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746115 375553302 /nfs/dbraw/zinc/55/33/02/375553302.db2.gz ROZCHEQJSLWHSD-KBPBESRZSA-N 1 2 297.443 3.017 20 30 CGEDLO CC(C)C[C@@H](C[N@@H+](C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746115 375553312 /nfs/dbraw/zinc/55/33/12/375553312.db2.gz ROZCHEQJSLWHSD-KBPBESRZSA-N 1 2 297.443 3.017 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2cccc(F)c2)n1 ZINC000191095532 375575725 /nfs/dbraw/zinc/57/57/25/375575725.db2.gz RNIZBEJBUFPTHL-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1coc(-c2cccc(F)c2)n1 ZINC000191095532 375575734 /nfs/dbraw/zinc/57/57/34/375575734.db2.gz RNIZBEJBUFPTHL-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000516191208 375817643 /nfs/dbraw/zinc/81/76/43/375817643.db2.gz BNNYALCXUUWLLY-GXSJLCMTSA-N 1 2 297.761 3.088 20 30 CGEDLO N#CCC1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000516147672 375818001 /nfs/dbraw/zinc/81/80/01/375818001.db2.gz XLYSRXGOGJYXRQ-UHFFFAOYSA-N 1 2 291.358 3.241 20 30 CGEDLO C=CC[N@H+](Cc1cscn1)Cc1ccc(OC)cc1 ZINC000193415911 375875211 /nfs/dbraw/zinc/87/52/11/375875211.db2.gz HXUXXILDTZUBGT-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1cscn1)Cc1ccc(OC)cc1 ZINC000193415911 375875214 /nfs/dbraw/zinc/87/52/14/375875214.db2.gz HXUXXILDTZUBGT-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO N#Cc1ccc(NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000225236549 376298784 /nfs/dbraw/zinc/29/87/84/376298784.db2.gz UKTMKGQSBTVBOK-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO Cc1cc(N(C)C[C@H](C)C#N)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484319 376437954 /nfs/dbraw/zinc/43/79/54/376437954.db2.gz ZBPZWTZZPWCOPD-SNVBAGLBSA-N 1 2 284.319 3.047 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)o1 ZINC000541685550 376471427 /nfs/dbraw/zinc/47/14/27/376471427.db2.gz RHFKNEYCDFEURD-NSHDSACASA-N 1 2 284.363 3.030 20 30 CGEDLO C=C1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000264537503 190116736 /nfs/dbraw/zinc/11/67/36/190116736.db2.gz ZRUCESPTRCULON-AWEZNQCLSA-N 1 2 296.208 3.135 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339770608 376837193 /nfs/dbraw/zinc/83/71/93/376837193.db2.gz DOFSJVRJHWSGCX-OAHLLOKOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339770608 376837200 /nfs/dbraw/zinc/83/72/00/376837200.db2.gz DOFSJVRJHWSGCX-OAHLLOKOSA-N 1 2 288.366 3.088 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339830257 376866421 /nfs/dbraw/zinc/86/64/21/376866421.db2.gz IOURXEKHQWNEMD-UHFFFAOYSA-N 1 2 296.292 3.261 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339830257 376866427 /nfs/dbraw/zinc/86/64/27/376866427.db2.gz IOURXEKHQWNEMD-UHFFFAOYSA-N 1 2 296.292 3.261 20 30 CGEDLO Cc1ccc(COc2cc(F)cc(C#N)c2)c(C)[nH+]1 ZINC000340795331 377265940 /nfs/dbraw/zinc/26/59/40/377265940.db2.gz XFEMZBPWZGCSML-UHFFFAOYSA-N 1 2 256.280 3.288 20 30 CGEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1(C#N)CC1 ZINC000562384179 377305882 /nfs/dbraw/zinc/30/58/82/377305882.db2.gz FXVMROLQMIPTQB-UHFFFAOYSA-N 1 2 294.402 3.389 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000570582371 377537829 /nfs/dbraw/zinc/53/78/29/377537829.db2.gz UNVWLTOFCXBBBO-LBPRGKRZSA-N 1 2 271.364 3.117 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000249902431 377540865 /nfs/dbraw/zinc/54/08/65/377540865.db2.gz UCNVVXDJWBFPSF-IUODEOHRSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000249902431 377540869 /nfs/dbraw/zinc/54/08/69/377540869.db2.gz UCNVVXDJWBFPSF-IUODEOHRSA-N 1 2 287.407 3.112 20 30 CGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)s1)CC2 ZINC000516854516 249245828 /nfs/dbraw/zinc/24/58/28/249245828.db2.gz TUWAMTQSEWIFAY-AWEZNQCLSA-N 1 2 296.399 3.064 20 30 CGEDLO CC[N@H+](Cc1ncc(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000342798307 377800244 /nfs/dbraw/zinc/80/02/44/377800244.db2.gz UGQNLZCTVMNXSW-CQSZACIVSA-N 1 2 282.391 3.183 20 30 CGEDLO CC[N@@H+](Cc1ncc(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000342798307 377800252 /nfs/dbraw/zinc/80/02/52/377800252.db2.gz UGQNLZCTVMNXSW-CQSZACIVSA-N 1 2 282.391 3.183 20 30 CGEDLO CCN(Cc1[nH+]cc(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000342798307 377800261 /nfs/dbraw/zinc/80/02/61/377800261.db2.gz UGQNLZCTVMNXSW-CQSZACIVSA-N 1 2 282.391 3.183 20 30 CGEDLO COc1cc(C[N@H+](C)CC2(C#N)CC2)ccc1SC ZINC000343312360 377950184 /nfs/dbraw/zinc/95/01/84/377950184.db2.gz AYLXLNGWYWXIKX-UHFFFAOYSA-N 1 2 276.405 3.153 20 30 CGEDLO COc1cc(C[N@@H+](C)CC2(C#N)CC2)ccc1SC ZINC000343312360 377950190 /nfs/dbraw/zinc/95/01/90/377950190.db2.gz AYLXLNGWYWXIKX-UHFFFAOYSA-N 1 2 276.405 3.153 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000264445853 377987171 /nfs/dbraw/zinc/98/71/71/377987171.db2.gz GYNOMSJTTFDHFR-ZDUSSCGKSA-N 1 2 290.432 3.388 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1c(F)cccc1F ZINC000264721556 377991588 /nfs/dbraw/zinc/99/15/88/377991588.db2.gz NFKZVHZUSVOWIM-AWEZNQCLSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1c(F)cccc1F ZINC000264721556 377991593 /nfs/dbraw/zinc/99/15/93/377991593.db2.gz NFKZVHZUSVOWIM-AWEZNQCLSA-N 1 2 296.361 3.260 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000268299324 378052499 /nfs/dbraw/zinc/05/24/99/378052499.db2.gz MCWIRGDMENDUHR-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000268299324 378052502 /nfs/dbraw/zinc/05/25/02/378052502.db2.gz MCWIRGDMENDUHR-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C=C1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343820547 378104059 /nfs/dbraw/zinc/10/40/59/378104059.db2.gz RENYOIBBQVIXAK-UHFFFAOYSA-N 1 2 279.767 3.263 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000269409935 378218172 /nfs/dbraw/zinc/21/81/72/378218172.db2.gz ISVIINOHXNDVCY-CQSZACIVSA-N 1 2 257.337 3.175 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]c2ccccc2cc1C ZINC000584091504 378375059 /nfs/dbraw/zinc/37/50/59/378375059.db2.gz YDQRGMNPSDVULR-DOTOQJQBSA-N 1 2 282.387 3.358 20 30 CGEDLO CC(C)(C)[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000270629123 378378198 /nfs/dbraw/zinc/37/81/98/378378198.db2.gz UQQLXQNZYGXKPP-TUNZVQQWSA-N 1 2 261.365 3.405 20 30 CGEDLO CCOc1c(Cl)cc(C[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000271128641 378457233 /nfs/dbraw/zinc/45/72/33/378457233.db2.gz MPPYEYXJPTVPPE-LLVKDONJSA-N 1 2 296.798 3.339 20 30 CGEDLO CCOc1c(Cl)cc(C[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000271128641 378457239 /nfs/dbraw/zinc/45/72/39/378457239.db2.gz MPPYEYXJPTVPPE-LLVKDONJSA-N 1 2 296.798 3.339 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1Cl ZINC000271128730 378458360 /nfs/dbraw/zinc/45/83/60/378458360.db2.gz MWVFZCCQSLNZQP-GFCCVEGCSA-N 1 2 278.783 3.496 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1Cl ZINC000271128730 378458367 /nfs/dbraw/zinc/45/83/67/378458367.db2.gz MWVFZCCQSLNZQP-GFCCVEGCSA-N 1 2 278.783 3.496 20 30 CGEDLO COc1ccc2oc(C[N@H+](C)C[C@@H](C)C#N)cc2c1 ZINC000271140004 378461900 /nfs/dbraw/zinc/46/19/00/378461900.db2.gz USXHYGVFIBGEFT-NSHDSACASA-N 1 2 258.321 3.033 20 30 CGEDLO COc1ccc2oc(C[N@@H+](C)C[C@@H](C)C#N)cc2c1 ZINC000271140004 378461908 /nfs/dbraw/zinc/46/19/08/378461908.db2.gz USXHYGVFIBGEFT-NSHDSACASA-N 1 2 258.321 3.033 20 30 CGEDLO Cc1ccc(Cc2noc(-c3cccc(C#N)c3C)n2)c[nH+]1 ZINC000346138175 378477482 /nfs/dbraw/zinc/47/74/82/378477482.db2.gz SPOBSDUFRINUSL-UHFFFAOYSA-N 1 2 290.326 3.211 20 30 CGEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cscn1 ZINC000272181079 378578965 /nfs/dbraw/zinc/57/89/65/378578965.db2.gz FTIVIJQYPHOWAL-NSHDSACASA-N 1 2 269.373 3.355 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000279471376 379442783 /nfs/dbraw/zinc/44/27/83/379442783.db2.gz VNJKKPULRZPHDH-PBHICJAKSA-N 1 2 297.402 3.255 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000279471376 379442797 /nfs/dbraw/zinc/44/27/97/379442797.db2.gz VNJKKPULRZPHDH-PBHICJAKSA-N 1 2 297.402 3.255 20 30 CGEDLO CC(C)n1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000347612368 218289989 /nfs/dbraw/zinc/28/99/89/218289989.db2.gz NOTRDHXSEQEZAZ-UHFFFAOYSA-N 1 2 297.406 3.141 20 30 CGEDLO CC(C)n1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000347612368 218289990 /nfs/dbraw/zinc/28/99/90/218289990.db2.gz NOTRDHXSEQEZAZ-UHFFFAOYSA-N 1 2 297.406 3.141 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000375792009 379509582 /nfs/dbraw/zinc/50/95/82/379509582.db2.gz ZOXZNHOJXCOXMH-HNNXBMFYSA-N 1 2 283.375 3.142 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000640029543 379694459 /nfs/dbraw/zinc/69/44/59/379694459.db2.gz IXDSOSSGXQKIHK-HZPDHXFCSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000640029543 379694465 /nfs/dbraw/zinc/69/44/65/379694465.db2.gz IXDSOSSGXQKIHK-HZPDHXFCSA-N 1 2 256.349 3.013 20 30 CGEDLO C=C1CC[NH+](Cc2nnc(Cc3ccccc3C)o2)CC1 ZINC000351597721 379728611 /nfs/dbraw/zinc/72/86/11/379728611.db2.gz RZYFYMYQVHAGTC-UHFFFAOYSA-N 1 2 283.375 3.121 20 30 CGEDLO C=C(Br)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281068889 379815662 /nfs/dbraw/zinc/81/56/62/379815662.db2.gz SQKFDJXATLCJQQ-LBPRGKRZSA-N 1 2 298.228 3.339 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H]2CCCOc3ccccc32)n1 ZINC000352839412 379995111 /nfs/dbraw/zinc/99/51/11/379995111.db2.gz KCKOOEAPPKLFMK-CYBMUJFWSA-N 1 2 285.372 3.018 20 30 CGEDLO Cc1cccc2[nH+]cc(CNc3ccc(CC#N)cc3)n21 ZINC000353001667 380070547 /nfs/dbraw/zinc/07/05/47/380070547.db2.gz NUZHLYLHUBCATP-UHFFFAOYSA-N 1 2 276.343 3.321 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)[C@H](C)CCC#N)cs1 ZINC000411287111 380137904 /nfs/dbraw/zinc/13/79/04/380137904.db2.gz AITXHOORKQUGCO-VXGBXAGGSA-N 1 2 281.425 3.365 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H](C)CCC#N)cs1 ZINC000411287111 380137911 /nfs/dbraw/zinc/13/79/11/380137911.db2.gz AITXHOORKQUGCO-VXGBXAGGSA-N 1 2 281.425 3.365 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000414380628 380217135 /nfs/dbraw/zinc/21/71/35/380217135.db2.gz JCFZYGKJDTULJV-GFCCVEGCSA-N 1 2 286.354 3.054 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H](C)CC#N ZINC000414380628 380217141 /nfs/dbraw/zinc/21/71/41/380217141.db2.gz JCFZYGKJDTULJV-GFCCVEGCSA-N 1 2 286.354 3.054 20 30 CGEDLO C[N@H+](Cc1ccc(Br)o1)CC(C)(C)C#N ZINC000354016813 380279972 /nfs/dbraw/zinc/27/99/72/380279972.db2.gz DDLNQOBIKBRPCU-UHFFFAOYSA-N 1 2 271.158 3.024 20 30 CGEDLO C[N@@H+](Cc1ccc(Br)o1)CC(C)(C)C#N ZINC000354016813 380279980 /nfs/dbraw/zinc/27/99/80/380279980.db2.gz DDLNQOBIKBRPCU-UHFFFAOYSA-N 1 2 271.158 3.024 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419283653 380794803 /nfs/dbraw/zinc/79/48/03/380794803.db2.gz JTRJMTMMGDPJLO-UHFFFAOYSA-N 1 2 288.366 3.231 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1Cl ZINC000421399647 380948194 /nfs/dbraw/zinc/94/81/94/380948194.db2.gz QHPGMDCBZJNVJO-MRXNPFEDSA-N 1 2 293.794 3.270 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CC[C@]23CCOC3)cc1Cl ZINC000421399647 380948199 /nfs/dbraw/zinc/94/81/99/380948199.db2.gz QHPGMDCBZJNVJO-MRXNPFEDSA-N 1 2 293.794 3.270 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(Br)o1)C1CC1 ZINC000361554631 381801973 /nfs/dbraw/zinc/80/19/73/381801973.db2.gz UVOCVHGUGMLRIM-SECBINFHSA-N 1 2 283.169 3.166 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(Br)o1)C1CC1 ZINC000361554631 381801979 /nfs/dbraw/zinc/80/19/79/381801979.db2.gz UVOCVHGUGMLRIM-SECBINFHSA-N 1 2 283.169 3.166 20 30 CGEDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1C#N ZINC000362288297 381931684 /nfs/dbraw/zinc/93/16/84/381931684.db2.gz XATHSDHMQFWCFL-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(F)c1C#N ZINC000362288297 381931693 /nfs/dbraw/zinc/93/16/93/381931693.db2.gz XATHSDHMQFWCFL-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000362928061 382152509 /nfs/dbraw/zinc/15/25/09/382152509.db2.gz OJRVSXKJCHASDY-ZJUUUORDSA-N 1 2 289.408 3.102 20 30 CGEDLO C#CCCCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000365292537 382285573 /nfs/dbraw/zinc/28/55/73/382285573.db2.gz PSODCHBFUFGRLA-UHFFFAOYSA-N 1 2 281.359 3.436 20 30 CGEDLO C#Cc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000367307862 382343086 /nfs/dbraw/zinc/34/30/86/382343086.db2.gz LZOGHVFOWRGXSZ-OAHLLOKOSA-N 1 2 285.293 3.169 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2(SC)CCC2)c1O ZINC000193256663 262219081 /nfs/dbraw/zinc/21/90/81/262219081.db2.gz BTNIXHKDUCCTFH-MHWRWJLKSA-N 1 2 279.405 3.496 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000135125814 533443245 /nfs/dbraw/zinc/44/32/45/533443245.db2.gz RLRGGSIQMZTZOJ-SECBINFHSA-N 1 2 262.259 3.280 20 30 CGEDLO COc1ccc(C[N@H+](CC#N)C2CCCC2)cc1C ZINC000353830612 533548191 /nfs/dbraw/zinc/54/81/91/533548191.db2.gz UMGVOOQHEOZIRL-UHFFFAOYSA-N 1 2 258.365 3.272 20 30 CGEDLO COc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1C ZINC000353830612 533548193 /nfs/dbraw/zinc/54/81/93/533548193.db2.gz UMGVOOQHEOZIRL-UHFFFAOYSA-N 1 2 258.365 3.272 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000093090676 392234293 /nfs/dbraw/zinc/23/42/93/392234293.db2.gz IRRQKPGXLGDIKW-LBPRGKRZSA-N 1 2 258.365 3.134 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000093090676 392234295 /nfs/dbraw/zinc/23/42/95/392234295.db2.gz IRRQKPGXLGDIKW-LBPRGKRZSA-N 1 2 258.365 3.134 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(CC)c1 ZINC000093100983 392234641 /nfs/dbraw/zinc/23/46/41/392234641.db2.gz OXTQRVXVFQDEEP-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(CC)c1 ZINC000093100983 392234645 /nfs/dbraw/zinc/23/46/45/392234645.db2.gz OXTQRVXVFQDEEP-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO COCc1ccc(C[N@H+](CCC#N)CCC(C)C)o1 ZINC000093100787 392233794 /nfs/dbraw/zinc/23/37/94/392233794.db2.gz JVPCFWGCQURFHU-UHFFFAOYSA-N 1 2 264.369 3.188 20 30 CGEDLO COCc1ccc(C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000093100787 392233800 /nfs/dbraw/zinc/23/38/00/392233800.db2.gz JVPCFWGCQURFHU-UHFFFAOYSA-N 1 2 264.369 3.188 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OC(F)F ZINC000097079049 392259290 /nfs/dbraw/zinc/25/92/90/392259290.db2.gz DMTQTPMIRWWMRL-SNVBAGLBSA-N 1 2 284.306 3.031 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OC(F)F ZINC000097079049 392259291 /nfs/dbraw/zinc/25/92/91/392259291.db2.gz DMTQTPMIRWWMRL-SNVBAGLBSA-N 1 2 284.306 3.031 20 30 CGEDLO C=C[C@](C)(CC)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000289194057 392416770 /nfs/dbraw/zinc/41/67/70/392416770.db2.gz QYCICDUYJGIISL-MRXNPFEDSA-N 1 2 295.346 3.171 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@H](C)C2CCOCC2)c1 ZINC000122894013 392425496 /nfs/dbraw/zinc/42/54/96/392425496.db2.gz CJNHLPQYFDUTBW-PBSOMRJOSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)ccc1Br ZINC000123685427 392429348 /nfs/dbraw/zinc/42/93/48/392429348.db2.gz POZASIWIJSFGHX-UHFFFAOYSA-N 1 2 293.208 3.493 20 30 CGEDLO C#CC[N@H+](Cc1noc(-c2ccsc2)n1)C1CCCC1 ZINC000154963767 392538876 /nfs/dbraw/zinc/53/88/76/392538876.db2.gz POTXBULVYGPPEU-UHFFFAOYSA-N 1 2 287.388 3.176 20 30 CGEDLO C#CC[N@@H+](Cc1noc(-c2ccsc2)n1)C1CCCC1 ZINC000154963767 392538878 /nfs/dbraw/zinc/53/88/78/392538878.db2.gz POTXBULVYGPPEU-UHFFFAOYSA-N 1 2 287.388 3.176 20 30 CGEDLO CC(C)n1cc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000179456535 392701936 /nfs/dbraw/zinc/70/19/36/392701936.db2.gz CFBKWELIISQMQF-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO CC(C)n1cc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000179456535 392701942 /nfs/dbraw/zinc/70/19/42/392701942.db2.gz CFBKWELIISQMQF-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000459354050 392942390 /nfs/dbraw/zinc/94/23/90/392942390.db2.gz NVOZHFSGCMTOOF-INIZCTEOSA-N 1 2 296.330 3.132 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000459354050 392942392 /nfs/dbraw/zinc/94/23/92/392942392.db2.gz NVOZHFSGCMTOOF-INIZCTEOSA-N 1 2 296.330 3.132 20 30 CGEDLO N#CC1(CC[N@H+]2CCOC[C@H]2CC(F)F)CCCCC1 ZINC000411720837 392987228 /nfs/dbraw/zinc/98/72/28/392987228.db2.gz HDUOPTNLWUWUIF-CYBMUJFWSA-N 1 2 286.366 3.207 20 30 CGEDLO N#CC1(CC[N@@H+]2CCOC[C@H]2CC(F)F)CCCCC1 ZINC000411720837 392987235 /nfs/dbraw/zinc/98/72/35/392987235.db2.gz HDUOPTNLWUWUIF-CYBMUJFWSA-N 1 2 286.366 3.207 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccon1 ZINC000349238185 393140906 /nfs/dbraw/zinc/14/09/06/393140906.db2.gz GRVUIOYRYWJDMX-LLVKDONJSA-N 1 2 260.724 3.030 20 30 CGEDLO COc1cc[nH+]cc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355446589 393325410 /nfs/dbraw/zinc/32/54/10/393325410.db2.gz RKFGXWXWTADIBG-CQSZACIVSA-N 1 2 295.342 3.116 20 30 CGEDLO COc1cc(CNc2ccc(C)[nH+]c2C)ccc1C#N ZINC000281625282 393352379 /nfs/dbraw/zinc/35/23/79/393352379.db2.gz HVKZJBUILSEWCG-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000356051777 393353641 /nfs/dbraw/zinc/35/36/41/393353641.db2.gz HMQLPGWMFICBEZ-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000356051777 393353647 /nfs/dbraw/zinc/35/36/47/393353647.db2.gz HMQLPGWMFICBEZ-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(C#N)c(C)c2)o1 ZINC000488433976 393511904 /nfs/dbraw/zinc/51/19/04/393511904.db2.gz RYLZFQALJLIHTA-KRWDZBQOSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(C#N)c(C)c2)o1 ZINC000488433976 393511907 /nfs/dbraw/zinc/51/19/07/393511907.db2.gz RYLZFQALJLIHTA-KRWDZBQOSA-N 1 2 296.370 3.342 20 30 CGEDLO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000361044993 393654927 /nfs/dbraw/zinc/65/49/27/393654927.db2.gz KCTJHNUJFZJGLN-CYBMUJFWSA-N 1 2 291.354 3.074 20 30 CGEDLO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000361044993 393654932 /nfs/dbraw/zinc/65/49/32/393654932.db2.gz KCTJHNUJFZJGLN-CYBMUJFWSA-N 1 2 291.354 3.074 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000666975841 542831340 /nfs/dbraw/zinc/83/13/40/542831340.db2.gz ZSRZZFCXKXYZDR-OKILXGFUSA-N 1 2 282.347 3.049 20 30 CGEDLO C=CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000338565720 397683860 /nfs/dbraw/zinc/68/38/60/397683860.db2.gz CWNPZKXDGVQJDR-AWEZNQCLSA-N 1 2 268.364 3.185 20 30 CGEDLO C=CCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000338565720 397683862 /nfs/dbraw/zinc/68/38/62/397683862.db2.gz CWNPZKXDGVQJDR-AWEZNQCLSA-N 1 2 268.364 3.185 20 30 CGEDLO Cc1c(Cl)cnc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c1C#N ZINC000285469197 196294871 /nfs/dbraw/zinc/29/48/71/196294871.db2.gz CAZKKADMYSXDCH-GFCCVEGCSA-N 1 2 289.770 3.447 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000679676574 543655308 /nfs/dbraw/zinc/65/53/08/543655308.db2.gz UKARJVUTSZTSEM-AWEZNQCLSA-N 1 2 297.377 3.171 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000679676574 543655312 /nfs/dbraw/zinc/65/53/12/543655312.db2.gz UKARJVUTSZTSEM-AWEZNQCLSA-N 1 2 297.377 3.171 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425077 543710224 /nfs/dbraw/zinc/71/02/24/543710224.db2.gz OCPZGTSFSIRLQE-RYUDHWBXSA-N 1 2 287.338 3.328 20 30 CGEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC1(C#N)CCC1 ZINC000334787166 225322097 /nfs/dbraw/zinc/32/20/97/225322097.db2.gz JGUXKQWEXJVTOK-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC1(C#N)CCC1 ZINC000334787166 225322102 /nfs/dbraw/zinc/32/21/02/225322102.db2.gz JGUXKQWEXJVTOK-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO N#CCC[N@H+](CCCc1ccncc1)Cc1ccco1 ZINC000347295905 226097077 /nfs/dbraw/zinc/09/70/77/226097077.db2.gz IZWVGYVFCABBPQ-UHFFFAOYSA-N 1 2 269.348 3.023 20 30 CGEDLO N#CCC[N@@H+](CCCc1ccncc1)Cc1ccco1 ZINC000347295905 226097082 /nfs/dbraw/zinc/09/70/82/226097082.db2.gz IZWVGYVFCABBPQ-UHFFFAOYSA-N 1 2 269.348 3.023 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1cccc2[nH+]ccn21 ZINC000354856959 227174604 /nfs/dbraw/zinc/17/46/04/227174604.db2.gz MPLDOEDQADUFIM-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C=CCC1(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CCCC1 ZINC000665047082 419045438 /nfs/dbraw/zinc/04/54/38/419045438.db2.gz HIIPYWFPHNYOOY-CHWSQXEVSA-N 1 2 288.395 3.077 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N(C)C)c2ccccc2[nH+]1 ZINC000664572817 418979712 /nfs/dbraw/zinc/97/97/12/418979712.db2.gz ZCBROFKNZWCVLY-OKILXGFUSA-N 1 2 294.402 3.383 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCc3ccccc3C2(C)C)nn1 ZINC000653597147 419058598 /nfs/dbraw/zinc/05/85/98/419058598.db2.gz CXXFEVFKSANHNL-UHFFFAOYSA-N 1 2 296.418 3.148 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCc3ccccc3C2(C)C)nn1 ZINC000653597147 419058599 /nfs/dbraw/zinc/05/85/99/419058599.db2.gz CXXFEVFKSANHNL-UHFFFAOYSA-N 1 2 296.418 3.148 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@H](C)OCC)n1)[C@@H](C)COC ZINC000661244618 419244484 /nfs/dbraw/zinc/24/44/84/419244484.db2.gz WMFIVUIAZSYJER-STQMWFEESA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@H](C)OCC)n1)[C@@H](C)COC ZINC000661244618 419244487 /nfs/dbraw/zinc/24/44/87/419244487.db2.gz WMFIVUIAZSYJER-STQMWFEESA-N 1 2 298.452 3.264 20 30 CGEDLO C=CC[N@H+](Cc1csc(C(C)C)n1)[C@@H](C)COC ZINC000661244237 419244859 /nfs/dbraw/zinc/24/48/59/419244859.db2.gz RNQDNICQUUGRKF-LBPRGKRZSA-N 1 2 268.426 3.289 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C(C)C)n1)[C@@H](C)COC ZINC000661244237 419244862 /nfs/dbraw/zinc/24/48/62/419244862.db2.gz RNQDNICQUUGRKF-LBPRGKRZSA-N 1 2 268.426 3.289 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2)no1)C(C)(C)C ZINC000661755475 419295149 /nfs/dbraw/zinc/29/51/49/419295149.db2.gz ROPXYHWGRIQGLC-UHFFFAOYSA-N 1 2 285.391 3.447 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2)no1)C(C)(C)C ZINC000661755475 419295150 /nfs/dbraw/zinc/29/51/50/419295150.db2.gz ROPXYHWGRIQGLC-UHFFFAOYSA-N 1 2 285.391 3.447 20 30 CGEDLO N#CCc1ccc(NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000185154581 262043523 /nfs/dbraw/zinc/04/35/23/262043523.db2.gz WLAKVIYCWJKOQL-UHFFFAOYSA-N 1 2 294.280 3.124 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000121074505 262267208 /nfs/dbraw/zinc/26/72/08/262267208.db2.gz LQZQZZFXPNRODE-UHFFFAOYSA-N 1 2 271.364 3.058 20 30 CGEDLO C=CCCC[N@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000121074505 262267209 /nfs/dbraw/zinc/26/72/09/262267209.db2.gz LQZQZZFXPNRODE-UHFFFAOYSA-N 1 2 271.364 3.058 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000272287673 263003185 /nfs/dbraw/zinc/00/31/85/263003185.db2.gz GORUDVKNPKXELR-CMPLNLGQSA-N 1 2 261.325 3.056 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000272287673 263003186 /nfs/dbraw/zinc/00/31/86/263003186.db2.gz GORUDVKNPKXELR-CMPLNLGQSA-N 1 2 261.325 3.056 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000272471926 263005070 /nfs/dbraw/zinc/00/50/70/263005070.db2.gz ABVCLMQOPJGWDN-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO C[C@@H]1COCC[C@H]1/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000277382836 263040921 /nfs/dbraw/zinc/04/09/21/263040921.db2.gz NHJWDPBFZSEWQO-AWEAEVRQSA-N 1 2 269.344 3.389 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000278653986 263049346 /nfs/dbraw/zinc/04/93/46/263049346.db2.gz PZSWIALCVKJBLH-XJKCOSOUSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)C1 ZINC000278653986 263049347 /nfs/dbraw/zinc/04/93/47/263049347.db2.gz PZSWIALCVKJBLH-XJKCOSOUSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714439 263049948 /nfs/dbraw/zinc/04/99/48/263049948.db2.gz UQAREAXQVOUBOM-WQVCFCJDSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714439 263049949 /nfs/dbraw/zinc/04/99/49/263049949.db2.gz UQAREAXQVOUBOM-WQVCFCJDSA-N 1 2 290.794 3.406 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(COC)CCC2)c1 ZINC000283841670 263084677 /nfs/dbraw/zinc/08/46/77/263084677.db2.gz RSDTWKAFCJLBAA-LICLKQGHSA-N 1 2 277.364 3.027 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290407857 263116445 /nfs/dbraw/zinc/11/64/45/263116445.db2.gz LBRRVORVKKZILZ-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290407857 263116446 /nfs/dbraw/zinc/11/64/46/263116446.db2.gz LBRRVORVKKZILZ-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000294485386 263162685 /nfs/dbraw/zinc/16/26/85/263162685.db2.gz HLSYPYNWTZGBPM-KCXAZCMYSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000294485386 263162686 /nfs/dbraw/zinc/16/26/86/263162686.db2.gz HLSYPYNWTZGBPM-KCXAZCMYSA-N 1 2 290.794 3.406 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000393795965 263177114 /nfs/dbraw/zinc/17/71/14/263177114.db2.gz ITPNOPVHYCXHOB-HUUCEWRRSA-N 1 2 261.365 3.235 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000298601305 263222672 /nfs/dbraw/zinc/22/26/72/263222672.db2.gz LFZMDTDVIUKWRI-NSHDSACASA-N 1 2 271.339 3.357 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000298601305 263222674 /nfs/dbraw/zinc/22/26/74/263222674.db2.gz LFZMDTDVIUKWRI-NSHDSACASA-N 1 2 271.339 3.357 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000299436700 263242309 /nfs/dbraw/zinc/24/23/09/263242309.db2.gz HOTCABKNNFVZJG-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000299436700 263242312 /nfs/dbraw/zinc/24/23/12/263242312.db2.gz HOTCABKNNFVZJG-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C=CCCc1ccccc1NCc1[nH+]cc(C)n1C ZINC000341377477 263335049 /nfs/dbraw/zinc/33/50/49/263335049.db2.gz JJSWEMPWNJOESB-UHFFFAOYSA-N 1 2 255.365 3.459 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(=C)CC2)c1C ZINC000341984822 263379966 /nfs/dbraw/zinc/37/99/66/263379966.db2.gz PMUJTBIFXBLUFE-UHFFFAOYSA-N 1 2 272.392 3.126 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000343064588 263586934 /nfs/dbraw/zinc/58/69/34/263586934.db2.gz MMMMNQNGLZNKHX-UHFFFAOYSA-N 1 2 257.337 3.412 20 30 CGEDLO C=CCN(c1cc(CC)[nH+]c(-c2ccncc2)n1)C1CC1 ZINC000357199381 266264410 /nfs/dbraw/zinc/26/44/10/266264410.db2.gz CQALMNNBDHAKMQ-UHFFFAOYSA-N 1 2 280.375 3.256 20 30 CGEDLO C=CCN(CCOC)c1[nH+]ccc2ccc(F)cc21 ZINC000357668761 266343120 /nfs/dbraw/zinc/34/31/20/266343120.db2.gz CCUIJYCPFDQYDT-UHFFFAOYSA-N 1 2 260.312 3.013 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370313204 267308545 /nfs/dbraw/zinc/30/85/45/267308545.db2.gz HRZWMJFKSAFMHZ-WBVHZDCISA-N 1 2 285.366 3.309 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370313204 267308546 /nfs/dbraw/zinc/30/85/46/267308546.db2.gz HRZWMJFKSAFMHZ-WBVHZDCISA-N 1 2 285.366 3.309 20 30 CGEDLO Cc1cc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)c(C)o1 ZINC000399415841 267361551 /nfs/dbraw/zinc/36/15/51/267361551.db2.gz XSZFAMOVACLVHD-LLVKDONJSA-N 1 2 255.321 3.067 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC000418145488 267366583 /nfs/dbraw/zinc/36/65/83/267366583.db2.gz YFXOFYQBKPUHEH-UHFFFAOYSA-N 1 2 252.720 3.263 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@H]2CCCc3ccc(C)cc32)c[nH+]1 ZINC000329325149 274855731 /nfs/dbraw/zinc/85/57/31/274855731.db2.gz IOIXKWSEXAFVCG-AWEZNQCLSA-N 1 2 269.348 3.409 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC2(CCC2)O1 ZINC000518370884 288212496 /nfs/dbraw/zinc/21/24/96/288212496.db2.gz ILACMJCXRSWKSN-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC2(CCC2)O1 ZINC000518370884 288212497 /nfs/dbraw/zinc/21/24/97/288212497.db2.gz ILACMJCXRSWKSN-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000581437104 327791300 /nfs/dbraw/zinc/79/13/00/327791300.db2.gz ARJLHRJYGZXACP-VXGBXAGGSA-N 1 2 291.420 3.017 20 30 CGEDLO C=CCCCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000563373773 328058198 /nfs/dbraw/zinc/05/81/98/328058198.db2.gz MUISQQOPFCTYTJ-CQSZACIVSA-N 1 2 290.411 3.393 20 30 CGEDLO Cc1cc(NCC(C)(C)CCC#N)nc(C(C)C)[nH+]1 ZINC000340886170 328402126 /nfs/dbraw/zinc/40/21/26/328402126.db2.gz CXKRDAVSSSTJKO-UHFFFAOYSA-N 1 2 260.385 3.072 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000584122656 327045267 /nfs/dbraw/zinc/04/52/67/327045267.db2.gz YOEMXPDHNVXKOM-PBHICJAKSA-N 1 2 297.402 3.412 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000584122656 327045269 /nfs/dbraw/zinc/04/52/69/327045269.db2.gz YOEMXPDHNVXKOM-PBHICJAKSA-N 1 2 297.402 3.412 20 30 CGEDLO CC(F)(F)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000559323604 327159018 /nfs/dbraw/zinc/15/90/18/327159018.db2.gz USEBFXDMCAHYMC-UHFFFAOYSA-N 1 2 268.307 3.114 20 30 CGEDLO COc1cc(OC)c(OC)cc1[NH2+]CC(C)(C)CCC#N ZINC000092172327 327189019 /nfs/dbraw/zinc/18/90/19/327189019.db2.gz SCBWSHOBFRYSIT-UHFFFAOYSA-N 1 2 292.379 3.454 20 30 CGEDLO C=CCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000559946964 327273032 /nfs/dbraw/zinc/27/30/32/327273032.db2.gz UQZJSHCVCFPIJR-UHFFFAOYSA-N 1 2 254.333 3.451 20 30 CGEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OCC2CC2)c1 ZINC000559973800 327274461 /nfs/dbraw/zinc/27/44/61/327274461.db2.gz VWTVMNPQNHYUMY-INIZCTEOSA-N 1 2 297.402 3.317 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000560714444 327338522 /nfs/dbraw/zinc/33/85/22/327338522.db2.gz KYFMLZQNKZOYPJ-IAQYHMDHSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000560714444 327338523 /nfs/dbraw/zinc/33/85/23/327338523.db2.gz KYFMLZQNKZOYPJ-IAQYHMDHSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000560714443 327338574 /nfs/dbraw/zinc/33/85/74/327338574.db2.gz KYFMLZQNKZOYPJ-ABAIWWIYSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000560714443 327338576 /nfs/dbraw/zinc/33/85/76/327338576.db2.gz KYFMLZQNKZOYPJ-ABAIWWIYSA-N 1 2 280.318 3.030 20 30 CGEDLO C=C(Cl)C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000378266136 329044501 /nfs/dbraw/zinc/04/45/01/329044501.db2.gz QMFPECSSHCVGMJ-UHFFFAOYSA-N 1 2 263.768 3.042 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000378266136 329044502 /nfs/dbraw/zinc/04/45/02/329044502.db2.gz QMFPECSSHCVGMJ-UHFFFAOYSA-N 1 2 263.768 3.042 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(SC)cc1 ZINC000172167195 329081842 /nfs/dbraw/zinc/08/18/42/329081842.db2.gz WSKNVJHZCKMBNM-UHFFFAOYSA-N 1 2 276.405 3.021 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000173539843 329148924 /nfs/dbraw/zinc/14/89/24/329148924.db2.gz CCOXTUISGINOSF-IYBDPMFKSA-N 1 2 293.455 3.038 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000173539843 329148926 /nfs/dbraw/zinc/14/89/26/329148926.db2.gz CCOXTUISGINOSF-IYBDPMFKSA-N 1 2 293.455 3.038 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185178888 329266997 /nfs/dbraw/zinc/26/69/97/329266997.db2.gz GCOWKXNQOJNQCQ-OAHLLOKOSA-N 1 2 297.402 3.150 20 30 CGEDLO C=CCCCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000572375028 330021522 /nfs/dbraw/zinc/02/15/22/330021522.db2.gz IBLUTKPLEDQFTQ-CQSZACIVSA-N 1 2 290.411 3.045 20 30 CGEDLO C=CCCCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000572375027 330021670 /nfs/dbraw/zinc/02/16/70/330021670.db2.gz IBLUTKPLEDQFTQ-AWEZNQCLSA-N 1 2 290.411 3.045 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2csc(Cl)c2)nn1 ZINC000424293780 330335407 /nfs/dbraw/zinc/33/54/07/330335407.db2.gz JGTAUZPCCFKIFH-VIFPVBQESA-N 1 2 282.800 3.030 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449573633 330938064 /nfs/dbraw/zinc/93/80/64/330938064.db2.gz RKKMSTXAZJZYRM-HIFRSBDPSA-N 1 2 283.375 3.244 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(=O)OCC ZINC000449659229 330942691 /nfs/dbraw/zinc/94/26/91/330942691.db2.gz VNBYULIWKYYCKC-OAHLLOKOSA-N 1 2 286.375 3.155 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451804758 331042898 /nfs/dbraw/zinc/04/28/98/331042898.db2.gz XFOLLLIRPQMYMR-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451804758 331042899 /nfs/dbraw/zinc/04/28/99/331042899.db2.gz XFOLLLIRPQMYMR-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1F ZINC000491304507 332186030 /nfs/dbraw/zinc/18/60/30/332186030.db2.gz GMQNPDKNZJMZHF-CQSZACIVSA-N 1 2 262.715 3.271 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000491473630 332217905 /nfs/dbraw/zinc/21/79/05/332217905.db2.gz GELUOSWDONBERE-ZDUSSCGKSA-N 1 2 286.400 3.176 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000491473630 332217906 /nfs/dbraw/zinc/21/79/06/332217906.db2.gz GELUOSWDONBERE-ZDUSSCGKSA-N 1 2 286.400 3.176 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(C(C)C)c1)c1ccc(F)cc1 ZINC000491695935 332291384 /nfs/dbraw/zinc/29/13/84/332291384.db2.gz OUTZNAVNUNCNCB-INIZCTEOSA-N 1 2 271.339 3.067 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@](C)(CCC)C(=O)OC)cc1 ZINC000498660715 332571475 /nfs/dbraw/zinc/57/14/75/332571475.db2.gz USOFCLMXBMYLQQ-QGZVFWFLSA-N 1 2 291.391 3.073 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(Cl)cc3c2OCC3)c1 ZINC000545927621 334007044 /nfs/dbraw/zinc/00/70/44/334007044.db2.gz JUNSPBVBQOBTAO-UHFFFAOYSA-N 1 2 299.761 3.348 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)s2)c1 ZINC000547341076 334081366 /nfs/dbraw/zinc/08/13/66/334081366.db2.gz IBSUEHSKEUDENV-UHFFFAOYSA-N 1 2 263.753 3.475 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(Cl)ccc1F ZINC000078636117 334137685 /nfs/dbraw/zinc/13/76/85/334137685.db2.gz MBTRQYUYHYPCCH-UHFFFAOYSA-N 1 2 282.746 3.092 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000549553005 334197845 /nfs/dbraw/zinc/19/78/45/334197845.db2.gz QQLLEEHMANNABK-FFSVYQOJSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000549553005 334197846 /nfs/dbraw/zinc/19/78/46/334197846.db2.gz QQLLEEHMANNABK-FFSVYQOJSA-N 1 2 292.329 3.030 20 30 CGEDLO C=C(C)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091980959 334388803 /nfs/dbraw/zinc/38/88/03/334388803.db2.gz PBXKHZGETBJPKI-AWEZNQCLSA-N 1 2 262.372 3.080 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]ccc(C)c1Cl ZINC000553557108 334391196 /nfs/dbraw/zinc/39/11/96/334391196.db2.gz UPPLDURLNSPNAJ-DGCLKSJQSA-N 1 2 266.772 3.437 20 30 CGEDLO C=CCOCCCSCCc1cccc(C)[nH+]1 ZINC000564981216 334531088 /nfs/dbraw/zinc/53/10/88/334531088.db2.gz MXMWLRUXTJQDOK-UHFFFAOYSA-N 1 2 251.395 3.258 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000565489357 334568548 /nfs/dbraw/zinc/56/85/48/334568548.db2.gz URQSAUWKWXYSAV-GFCCVEGCSA-N 1 2 261.369 3.041 20 30 CGEDLO Cc1sc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)c1C ZINC000576588114 335222925 /nfs/dbraw/zinc/22/29/25/335222925.db2.gz QKCAWFPWSCNFHE-VIFPVBQESA-N 1 2 288.376 3.023 20 30 CGEDLO Cc1nc(C[NH2+][C@H](CCC#N)c2ccccc2)[nH]c1C ZINC000576767663 335246080 /nfs/dbraw/zinc/24/60/80/335246080.db2.gz DIHLHNPNRBTJGA-OAHLLOKOSA-N 1 2 268.364 3.161 20 30 CGEDLO Cc1[nH]c(CN[C@H](CCC#N)c2ccccc2)[nH+]c1C ZINC000576767663 335246081 /nfs/dbraw/zinc/24/60/81/335246081.db2.gz DIHLHNPNRBTJGA-OAHLLOKOSA-N 1 2 268.364 3.161 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000581079387 336005757 /nfs/dbraw/zinc/00/57/57/336005757.db2.gz DVRVVUQOOUADKC-NSHDSACASA-N 1 2 261.350 3.185 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000581980297 336183292 /nfs/dbraw/zinc/18/32/92/336183292.db2.gz FQGUTYLIMFXRDA-UHFFFAOYSA-N 1 2 293.370 3.054 20 30 CGEDLO Cc1cc(NC[C@@H](C)Cc2cccs2)c(C#N)c[nH+]1 ZINC000425238259 534031454 /nfs/dbraw/zinc/03/14/54/534031454.db2.gz UQOQFRVEARAVKV-NSHDSACASA-N 1 2 271.389 3.036 20 30 CGEDLO Cc1cc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425239462 534033875 /nfs/dbraw/zinc/03/38/75/534033875.db2.gz WYSIMQHRJLPKJR-YPMHNXCESA-N 1 2 297.324 3.464 20 30 CGEDLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356127616 534166251 /nfs/dbraw/zinc/16/62/51/534166251.db2.gz XIGZPSKZXOLQHT-QWRGUYRKSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356127616 534166252 /nfs/dbraw/zinc/16/62/52/534166252.db2.gz XIGZPSKZXOLQHT-QWRGUYRKSA-N 1 2 298.308 3.186 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000428350957 534537820 /nfs/dbraw/zinc/53/78/20/534537820.db2.gz GJLKNDSIADFTNL-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO Cc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329231780 534672773 /nfs/dbraw/zinc/67/27/73/534672773.db2.gz FMOUZILDGFRXAD-AWEZNQCLSA-N 1 2 298.390 3.452 20 30 CGEDLO N#Cc1cc(F)c(NCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000340815902 526557842 /nfs/dbraw/zinc/55/78/42/526557842.db2.gz HOPNSRIITJKBOF-UHFFFAOYSA-N 1 2 284.269 3.096 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1conc1C ZINC000353474791 526574040 /nfs/dbraw/zinc/57/40/40/526574040.db2.gz VSECNZYJRDOMBQ-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1conc1C ZINC000353474791 526574046 /nfs/dbraw/zinc/57/40/46/526574046.db2.gz VSECNZYJRDOMBQ-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=CCOc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000352135000 526851611 /nfs/dbraw/zinc/85/16/11/526851611.db2.gz MPSORYUXWAEMOY-HNNXBMFYSA-N 1 2 299.374 3.102 20 30 CGEDLO C=C(CC)C[N@@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347347487 526852058 /nfs/dbraw/zinc/85/20/58/526852058.db2.gz UIJJLOTVPSBAEU-KGLIPLIRSA-N 1 2 291.395 3.414 20 30 CGEDLO C=C(CC)C[N@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347347487 526852063 /nfs/dbraw/zinc/85/20/63/526852063.db2.gz UIJJLOTVPSBAEU-KGLIPLIRSA-N 1 2 291.395 3.414 20 30 CGEDLO C=CCOc1ccccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000460336340 526929169 /nfs/dbraw/zinc/92/91/69/526929169.db2.gz UPHRHHZDZOXDTG-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2F)cn1 ZINC000440480343 528347549 /nfs/dbraw/zinc/34/75/49/528347549.db2.gz VVHXHWHVAGJQJC-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cn1 ZINC000440480343 528347555 /nfs/dbraw/zinc/34/75/55/528347555.db2.gz VVHXHWHVAGJQJC-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnn(C(C)C)c1 ZINC000730146741 571950355 /nfs/dbraw/zinc/95/03/55/571950355.db2.gz DVOLTXCOPRWZDX-UHFFFAOYSA-N 1 2 293.374 3.270 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000731156697 572398270 /nfs/dbraw/zinc/39/82/70/572398270.db2.gz JIUMVHRYCATHJH-AATRIKPKSA-N 1 2 266.222 3.325 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000741465837 572413371 /nfs/dbraw/zinc/41/33/71/572413371.db2.gz YVZNJLZGRYAKIC-CVAGBXBRSA-N 1 2 281.355 3.451 20 30 CGEDLO Cc1cccc([C@@H](C)C/[NH+]=C\c2c(O)c(C)ncc2CO)c1 ZINC000741166327 572487275 /nfs/dbraw/zinc/48/72/75/572487275.db2.gz ZWGRWHWUQAEMGE-GJUHEBOISA-N 1 2 298.386 3.119 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C\c2cc(OC)ccc2O)c1 ZINC000732926398 572493874 /nfs/dbraw/zinc/49/38/74/572493874.db2.gz OJPSVVPAGQKQOE-CQLSMYGBSA-N 1 2 299.370 3.460 20 30 CGEDLO Oc1ccc(/C=[NH+]/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1O ZINC000741845724 572534735 /nfs/dbraw/zinc/53/47/35/572534735.db2.gz VXEDKZKFUYGDDL-JSUQOCEESA-N 1 2 275.348 3.191 20 30 CGEDLO CC[C@H](C)C[C@@H](C)/[NH+]=C\c1ccc(O)c(O)c1O ZINC000743043605 572635537 /nfs/dbraw/zinc/63/55/37/572635537.db2.gz XQWWADQOLIFGFA-BZOOZNIZSA-N 1 2 251.326 3.047 20 30 CGEDLO COc1cccc(/C=[NH+]\CC(C2CC2)C2CC2)c1O ZINC000743044794 572635953 /nfs/dbraw/zinc/63/59/53/572635953.db2.gz RDVZUXMGTQDKDB-MFOYZWKCSA-N 1 2 259.349 3.256 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000744209020 572723350 /nfs/dbraw/zinc/72/33/50/572723350.db2.gz OALSEVQBNHRZCB-UHFFFAOYSA-N 1 2 298.317 3.369 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000744209020 572723351 /nfs/dbraw/zinc/72/33/51/572723351.db2.gz OALSEVQBNHRZCB-UHFFFAOYSA-N 1 2 298.317 3.369 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1C/[NH+]=C\c1cccc(O)c1O ZINC000735620158 572735368 /nfs/dbraw/zinc/73/53/68/572735368.db2.gz VNQKHJXVZXDMTM-KXJOEGPQSA-N 1 2 291.391 3.358 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(-c2ccncc2)cc1 ZINC000745990811 572846589 /nfs/dbraw/zinc/84/65/89/572846589.db2.gz YTHVMMJVEANYEW-AATRIKPKSA-N 1 2 275.311 3.368 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCc2cc(C)ccc2OC)c1 ZINC000747712989 572942718 /nfs/dbraw/zinc/94/27/18/572942718.db2.gz MALLAFQUZXBUNP-UNOMPAQXSA-N 1 2 299.370 3.379 20 30 CGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2cc(C)ncn2)cc1 ZINC000748076690 572959605 /nfs/dbraw/zinc/95/96/05/572959605.db2.gz ZIOLWPYEEFGYFI-UHFFFAOYSA-N 1 2 283.379 3.077 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(F)cc1OC(F)F ZINC000748439841 572977140 /nfs/dbraw/zinc/97/71/40/572977140.db2.gz AIOHZNPSFXOQRN-ONEGZZNKSA-N 1 2 282.221 3.046 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cnn(C(C)C)c3)n21 ZINC000748998851 572987892 /nfs/dbraw/zinc/98/78/92/572987892.db2.gz SVMDBQIYKLSSOK-BQYQJAHWSA-N 1 2 294.358 3.316 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H](C)c2ccncc2)c1 ZINC000749845557 573047411 /nfs/dbraw/zinc/04/74/11/573047411.db2.gz SDZFHLFYYMLBLP-OTWJJXBCSA-N 1 2 270.332 3.018 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2ccncc2)c1 ZINC000749845555 573047496 /nfs/dbraw/zinc/04/74/96/573047496.db2.gz SDZFHLFYYMLBLP-MBNTZHJCSA-N 1 2 270.332 3.018 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H](C)c2ccncc2)c(O)c1 ZINC000749846585 573047722 /nfs/dbraw/zinc/04/77/22/573047722.db2.gz YOJAFDALLCKXFA-KZKLBEMASA-N 1 2 284.359 3.409 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccccc2Cl)C1 ZINC000957307695 613296957 /nfs/dbraw/zinc/29/69/57/613296957.db2.gz JZXNFTXZPKGJTN-UHFFFAOYSA-N 1 2 292.810 3.062 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974949820 613380829 /nfs/dbraw/zinc/38/08/29/613380829.db2.gz QOCBOXDMYPAALV-ZDUSSCGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974949820 613380830 /nfs/dbraw/zinc/38/08/30/613380830.db2.gz QOCBOXDMYPAALV-ZDUSSCGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972774731 613380881 /nfs/dbraw/zinc/38/08/81/613380881.db2.gz QLFLNFMEAXLEBX-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972774731 613380882 /nfs/dbraw/zinc/38/08/82/613380882.db2.gz QLFLNFMEAXLEBX-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CCC2CCCCCC2)CC1 ZINC000949333249 613707807 /nfs/dbraw/zinc/70/78/07/613707807.db2.gz ROWQBEQTZWMJJJ-UHFFFAOYSA-N 1 2 278.440 3.067 20 30 CGEDLO C=CC[C@@H]1CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000890553278 617638737 /nfs/dbraw/zinc/63/87/37/617638737.db2.gz SHNCAJUHIYTQNX-CVEARBPZSA-N 1 2 295.386 3.109 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000890888498 617891007 /nfs/dbraw/zinc/89/10/07/617891007.db2.gz DKXOCRVBGAOENG-CQSZACIVSA-N 1 2 281.359 3.117 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000890888502 617891351 /nfs/dbraw/zinc/89/13/51/617891351.db2.gz DNGSTWVNPKJGRQ-GFCCVEGCSA-N 1 2 269.348 3.260 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000890888502 617891353 /nfs/dbraw/zinc/89/13/53/617891353.db2.gz DNGSTWVNPKJGRQ-GFCCVEGCSA-N 1 2 269.348 3.260 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000847020978 618168990 /nfs/dbraw/zinc/16/89/90/618168990.db2.gz HCLQWICLBZKVQW-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000847020978 618168998 /nfs/dbraw/zinc/16/89/98/618168998.db2.gz HCLQWICLBZKVQW-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(O)c3)n2c1 ZINC000255384232 618245577 /nfs/dbraw/zinc/24/55/77/618245577.db2.gz DTKUULFWGAKTTR-SREVYHEPSA-N 1 2 278.311 3.244 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2c(C)cccc2C)nn1 ZINC000933765194 618317123 /nfs/dbraw/zinc/31/71/23/618317123.db2.gz ZWCMOVMEIIOBPU-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2c(C)cccc2C)nn1 ZINC000933765194 618317132 /nfs/dbraw/zinc/31/71/32/618317132.db2.gz ZWCMOVMEIIOBPU-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c2c(n1)CCCC2 ZINC000892195190 618585639 /nfs/dbraw/zinc/58/56/39/618585639.db2.gz NOVCQCIAXSFBPE-ZDUSSCGKSA-N 1 2 283.419 3.393 20 30 CGEDLO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c2c(n1)CCCC2 ZINC000892195190 618585642 /nfs/dbraw/zinc/58/56/42/618585642.db2.gz NOVCQCIAXSFBPE-ZDUSSCGKSA-N 1 2 283.419 3.393 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc([N+](=O)[O-])c1 ZINC000255621843 618765890 /nfs/dbraw/zinc/76/58/90/618765890.db2.gz DBEVVPINDKBDDA-FPLPWBNLSA-N 1 2 293.282 3.139 20 30 CGEDLO Cc1noc(C)c1C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177024069 618772966 /nfs/dbraw/zinc/77/29/66/618772966.db2.gz KJAFZJOXLBXONL-UHFFFAOYSA-N 1 2 288.778 3.428 20 30 CGEDLO Cc1noc(C)c1C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177024069 618772967 /nfs/dbraw/zinc/77/29/67/618772967.db2.gz KJAFZJOXLBXONL-UHFFFAOYSA-N 1 2 288.778 3.428 20 30 CGEDLO Cc1ccoc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000255895829 618866172 /nfs/dbraw/zinc/86/61/72/618866172.db2.gz GSMYRJNGJJWCSA-PLNGDYQASA-N 1 2 266.300 3.440 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1N1CCCC1 ZINC000775183626 619005784 /nfs/dbraw/zinc/00/57/84/619005784.db2.gz QDUCMXZIYRNXEM-CYBMUJFWSA-N 1 2 276.811 3.394 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1N1CCCC1 ZINC000775183626 619005786 /nfs/dbraw/zinc/00/57/86/619005786.db2.gz QDUCMXZIYRNXEM-CYBMUJFWSA-N 1 2 276.811 3.394 20 30 CGEDLO COc1cc(C)cc(C[N@H+](CCC#N)CC2CC2)c1OC ZINC000894003490 619350614 /nfs/dbraw/zinc/35/06/14/619350614.db2.gz LGHKJBZRCSDNKO-UHFFFAOYSA-N 1 2 288.391 3.138 20 30 CGEDLO COc1cc(C)cc(C[N@@H+](CCC#N)CC2CC2)c1OC ZINC000894003490 619350618 /nfs/dbraw/zinc/35/06/18/619350618.db2.gz LGHKJBZRCSDNKO-UHFFFAOYSA-N 1 2 288.391 3.138 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccc(C)nc1)c1cccc(C#N)c1O ZINC000925028040 619499919 /nfs/dbraw/zinc/49/99/19/619499919.db2.gz NIZRLQPZMBNCLD-QGZVFWFLSA-N 1 2 295.386 3.251 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894446142 619540080 /nfs/dbraw/zinc/54/00/80/619540080.db2.gz SGJOTUZDRLKRDO-QQNRWZHASA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894446142 619540086 /nfs/dbraw/zinc/54/00/86/619540086.db2.gz SGJOTUZDRLKRDO-QQNRWZHASA-N 1 2 258.340 3.465 20 30 CGEDLO CCSCc1ccc[nH+]c1NCc1cccc(C#N)n1 ZINC000895689403 619870282 /nfs/dbraw/zinc/87/02/82/619870282.db2.gz RTPFZEXDWSGPIF-UHFFFAOYSA-N 1 2 284.388 3.213 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000896500452 620017504 /nfs/dbraw/zinc/01/75/04/620017504.db2.gz FFNVWDKDXFGBCT-NSHDSACASA-N 1 2 272.373 3.342 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000896500452 620017506 /nfs/dbraw/zinc/01/75/06/620017506.db2.gz FFNVWDKDXFGBCT-NSHDSACASA-N 1 2 272.373 3.342 20 30 CGEDLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896501470 620017614 /nfs/dbraw/zinc/01/76/14/620017614.db2.gz AKMADJUKAZWGBV-DDITZMBXSA-N 1 2 284.403 3.472 20 30 CGEDLO COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@H](C#N)C1 ZINC000896501470 620017617 /nfs/dbraw/zinc/01/76/17/620017617.db2.gz AKMADJUKAZWGBV-DDITZMBXSA-N 1 2 284.403 3.472 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000896502303 620018535 /nfs/dbraw/zinc/01/85/35/620018535.db2.gz WRBBRSNHURHPKD-NSHDSACASA-N 1 2 257.362 3.032 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000896502303 620018536 /nfs/dbraw/zinc/01/85/36/620018536.db2.gz WRBBRSNHURHPKD-NSHDSACASA-N 1 2 257.362 3.032 20 30 CGEDLO C=C1CC(c2noc([C@H](c3ccccc3)[NH+](C)C)n2)C1 ZINC000896877922 620082479 /nfs/dbraw/zinc/08/24/79/620082479.db2.gz RVSRJMFCVPGLBH-AWEZNQCLSA-N 1 2 269.348 3.154 20 30 CGEDLO NC(=[NH+]OCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000185775030 625435596 /nfs/dbraw/zinc/43/55/96/625435596.db2.gz WGPHDWYVKPLJGY-UHFFFAOYSA-N 1 2 276.286 3.461 20 30 CGEDLO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc(C#N)c1O ZINC000927123125 620580369 /nfs/dbraw/zinc/58/03/69/620580369.db2.gz WKFCHINRGWSATA-KFNAQCHYSA-N 1 2 256.349 3.105 20 30 CGEDLO CCCSCC(C)=[NH+]n1cc(Br)cn1 ZINC000901208084 620842713 /nfs/dbraw/zinc/84/27/13/620842713.db2.gz VMICLHSYJIJWHL-UHFFFAOYSA-N 1 2 276.203 3.013 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2ccccc2C1=O ZINC000901416662 620881633 /nfs/dbraw/zinc/88/16/33/620881633.db2.gz ICBRVIWXVBASGJ-LCYFTJDESA-N 1 2 252.317 3.116 20 30 CGEDLO Cc1[nH]c(/C=C2\C(=O)c3c(c(F)ccc3O)[C@@H]2C)[nH+]c1C ZINC000901450967 620885163 /nfs/dbraw/zinc/88/51/63/620885163.db2.gz GOOQPEXVZKDZJP-LWYMYGMPSA-N 1 2 286.306 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(C)cc1OC ZINC000901452584 620885555 /nfs/dbraw/zinc/88/55/55/620885555.db2.gz YCEBFBAAIFNBGV-VURMDHGXSA-N 1 2 270.332 3.116 20 30 CGEDLO CC(C)n1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cn1 ZINC000901468546 620896359 /nfs/dbraw/zinc/89/63/59/620896359.db2.gz MZZVKJWRWUJIQF-AATRIKPKSA-N 1 2 272.352 3.138 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2c(F)cccc2C1=O ZINC000901543635 620932185 /nfs/dbraw/zinc/93/21/85/620932185.db2.gz JBHDHAZCPYEQDZ-FLIBITNWSA-N 1 2 270.307 3.255 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1ncn(C(C)(C)C)c1=S ZINC000902668561 621395979 /nfs/dbraw/zinc/39/59/79/621395979.db2.gz CHJGQCQITSNTIG-UHFFFAOYSA-N 1 2 282.457 3.415 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1ncn(C(C)(C)C)c1=S ZINC000902668561 621395981 /nfs/dbraw/zinc/39/59/81/621395981.db2.gz CHJGQCQITSNTIG-UHFFFAOYSA-N 1 2 282.457 3.415 20 30 CGEDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903109761 621583714 /nfs/dbraw/zinc/58/37/14/621583714.db2.gz UQGWTOKYOWUTFC-SNVBAGLBSA-N 1 2 291.376 3.271 20 30 CGEDLO CCc1nc(C)c([C@@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000903262270 621647781 /nfs/dbraw/zinc/64/77/81/621647781.db2.gz CGKUMUKAHJZMAI-MRVPVSSYSA-N 1 2 292.433 3.193 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1cc[nH]c1=S ZINC000173313214 623319204 /nfs/dbraw/zinc/31/92/04/623319204.db2.gz PPXDUURKCSSGGS-UHFFFAOYSA-N 1 2 289.404 3.200 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1cc[nH]c1=S ZINC000173313214 623319209 /nfs/dbraw/zinc/31/92/09/623319209.db2.gz PPXDUURKCSSGGS-UHFFFAOYSA-N 1 2 289.404 3.200 20 30 CGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000925412745 623806674 /nfs/dbraw/zinc/80/66/74/623806674.db2.gz CHENTIFUGGESSM-JSGCOSHPSA-N 1 2 285.347 3.206 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993061798 623812736 /nfs/dbraw/zinc/81/27/36/623812736.db2.gz XYAIFURJOUDVNB-WCQYABFASA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993061798 623812739 /nfs/dbraw/zinc/81/27/39/623812739.db2.gz XYAIFURJOUDVNB-WCQYABFASA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993662351 624057314 /nfs/dbraw/zinc/05/73/14/624057314.db2.gz YSNUQHSAKYDGBT-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993662351 624057317 /nfs/dbraw/zinc/05/73/17/624057317.db2.gz YSNUQHSAKYDGBT-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO CCc1ccc([C@@H](COC)[NH2+]Cc2csc(C#N)c2)o1 ZINC000921778417 625872854 /nfs/dbraw/zinc/87/28/54/625872854.db2.gz JMAQZZPDPKVAFH-CQSZACIVSA-N 1 2 290.388 3.252 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(C(=O)C(F)(F)F)c2)CC1 ZINC000839476204 626354751 /nfs/dbraw/zinc/35/47/51/626354751.db2.gz BEBTULWFCXNPBD-UHFFFAOYSA-N 1 2 296.292 3.167 20 30 CGEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000751126230 626377026 /nfs/dbraw/zinc/37/70/26/626377026.db2.gz IYNSTIIPGAXQBI-UHFFFAOYSA-N 1 2 297.333 3.247 20 30 CGEDLO CCOCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753585834 626457103 /nfs/dbraw/zinc/45/71/03/626457103.db2.gz BCSPTOGUDIJGLF-KRWDZBQOSA-N 1 2 288.391 3.185 20 30 CGEDLO CCOCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753585834 626457104 /nfs/dbraw/zinc/45/71/04/626457104.db2.gz BCSPTOGUDIJGLF-KRWDZBQOSA-N 1 2 288.391 3.185 20 30 CGEDLO C=C(C)COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754951212 626593928 /nfs/dbraw/zinc/59/39/28/626593928.db2.gz HZAJCDZJJLHUHI-UHFFFAOYSA-N 1 2 297.358 3.130 20 30 CGEDLO C#CCC(C)(C)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000760272964 626952411 /nfs/dbraw/zinc/95/24/11/626952411.db2.gz DKIWPJOAWHICJV-INIZCTEOSA-N 1 2 287.403 3.272 20 30 CGEDLO C#CCC(C)(C)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000760272964 626952415 /nfs/dbraw/zinc/95/24/15/626952415.db2.gz DKIWPJOAWHICJV-INIZCTEOSA-N 1 2 287.403 3.272 20 30 CGEDLO C#CCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000760857391 626997181 /nfs/dbraw/zinc/99/71/81/626997181.db2.gz OSNRFEJYWGJXBJ-UHFFFAOYSA-N 1 2 258.752 3.203 20 30 CGEDLO C#CCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000760857391 626997184 /nfs/dbraw/zinc/99/71/84/626997184.db2.gz OSNRFEJYWGJXBJ-UHFFFAOYSA-N 1 2 258.752 3.203 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000764805383 627225386 /nfs/dbraw/zinc/22/53/86/627225386.db2.gz VLNFMGWAWRBYCJ-HNNXBMFYSA-N 1 2 271.408 3.268 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000764805383 627225387 /nfs/dbraw/zinc/22/53/87/627225387.db2.gz VLNFMGWAWRBYCJ-HNNXBMFYSA-N 1 2 271.408 3.268 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)c(F)cc2F)c1 ZINC000767921275 627444316 /nfs/dbraw/zinc/44/43/16/627444316.db2.gz WPZAIOUVPSRYJF-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO Cc1cccc2c1C/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769609945 627569136 /nfs/dbraw/zinc/56/91/36/627569136.db2.gz JZNFLJYEACXARD-JLHYYAGUSA-N 1 2 274.323 3.465 20 30 CGEDLO N#Cc1ccc2c(c1)CC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769609430 627569345 /nfs/dbraw/zinc/56/93/45/627569345.db2.gz JFEPJZRIGOCNSB-PTNGSMBKSA-N 1 2 299.333 3.418 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3ccco3)c[nH+]c12 ZINC000769772018 627576989 /nfs/dbraw/zinc/57/69/89/627576989.db2.gz UZPNXAIHMGRSBQ-SREVYHEPSA-N 1 2 252.273 3.132 20 30 CGEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1Cl ZINC000770054670 627600415 /nfs/dbraw/zinc/60/04/15/627600415.db2.gz GQCFRBMOHIIISL-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2cc3ccccc3[nH]2)c1O ZINC000771098155 627682481 /nfs/dbraw/zinc/68/24/81/627682481.db2.gz MLGBNGOULDWULY-WQRHYEAKSA-N 1 2 280.327 3.241 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000775341380 628084013 /nfs/dbraw/zinc/08/40/13/628084013.db2.gz MAMHQOGWTVWOLL-HZPDHXFCSA-N 1 2 298.411 3.081 20 30 CGEDLO C#C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000775787883 628137380 /nfs/dbraw/zinc/13/73/80/628137380.db2.gz BALLPITUUIXTSM-UONOGXRCSA-N 1 2 284.186 3.264 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(F)c(F)c(F)c1 ZINC000776008683 628157321 /nfs/dbraw/zinc/15/73/21/628157321.db2.gz SHXDJPFUVFCRIE-QMMMGPOBSA-N 1 2 254.255 3.058 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776954220 628240829 /nfs/dbraw/zinc/24/08/29/628240829.db2.gz XQFZPWMVBZYOGQ-UHFFFAOYSA-N 1 2 271.364 3.153 20 30 CGEDLO C=C(C)C[N@@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000777960245 628314447 /nfs/dbraw/zinc/31/44/47/628314447.db2.gz AXXLRVMCECYCRY-UHFFFAOYSA-N 1 2 253.415 3.145 20 30 CGEDLO C=C(C)C[N@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000777960245 628314448 /nfs/dbraw/zinc/31/44/48/628314448.db2.gz AXXLRVMCECYCRY-UHFFFAOYSA-N 1 2 253.415 3.145 20 30 CGEDLO NC(=[NH+]OCCCCCF)c1ccc(Cl)cc1 ZINC000789588410 629148234 /nfs/dbraw/zinc/14/82/34/629148234.db2.gz MBUHMIYUWBOGFF-UHFFFAOYSA-N 1 2 258.724 3.117 20 30 CGEDLO COc1cccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000119109446 629439401 /nfs/dbraw/zinc/43/94/01/629439401.db2.gz PCNUQRNXDVMJON-CMDGGOBGSA-N 1 2 278.311 3.239 20 30 CGEDLO Cc1ccoc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000794702367 629568996 /nfs/dbraw/zinc/56/89/96/629568996.db2.gz NRJRMJTWNWSMTB-SNAWJCMRSA-N 1 2 276.361 3.002 20 30 CGEDLO Cc1ccoc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794702366 629569246 /nfs/dbraw/zinc/56/92/46/629569246.db2.gz NRJRMJTWNWSMTB-PLNGDYQASA-N 1 2 276.361 3.002 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3ccnc(F)c3)c[nH+]c12 ZINC000794718454 629570905 /nfs/dbraw/zinc/57/09/05/629570905.db2.gz JGHKUERGBAGTEQ-PLNGDYQASA-N 1 2 281.290 3.073 20 30 CGEDLO C[C@H](O[NH+]=C(N)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000794727443 629573265 /nfs/dbraw/zinc/57/32/65/629573265.db2.gz RIVFNGVLGYHOLC-LBPRGKRZSA-N 1 2 297.333 3.500 20 30 CGEDLO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000795887636 629722871 /nfs/dbraw/zinc/72/28/71/629722871.db2.gz SAESFPBHWAEJSY-AEFFLSMTSA-N 1 2 289.467 3.431 20 30 CGEDLO CC(C)=CCC[C@@H](C)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000795887636 629722876 /nfs/dbraw/zinc/72/28/76/629722876.db2.gz SAESFPBHWAEJSY-AEFFLSMTSA-N 1 2 289.467 3.431 20 30 CGEDLO CC(C)(C)c1cn(Cc2ccc(OCC#N)cc2)c[nH+]1 ZINC000865376022 630086567 /nfs/dbraw/zinc/08/65/67/630086567.db2.gz VWJYMAGRHRKFRN-UHFFFAOYSA-N 1 2 269.348 3.131 20 30 CGEDLO Cc1cn2cc(NC(=O)c3ccc(C)c(C#N)c3)ccc2[nH+]1 ZINC000799327213 630168202 /nfs/dbraw/zinc/16/82/02/630168202.db2.gz OZXOAPFIKQLHOA-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO N#C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)C1 ZINC000799724114 630225653 /nfs/dbraw/zinc/22/56/53/630225653.db2.gz FFGQLUXZDLHDSU-HIFRSBDPSA-N 1 2 287.432 3.344 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](CC)c1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000806157611 630550731 /nfs/dbraw/zinc/55/07/31/630550731.db2.gz AHDQXNOSKGEJBD-KKUMJFAQSA-N 1 2 293.794 3.267 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCCSC2)c1O ZINC000806550841 630565856 /nfs/dbraw/zinc/56/58/56/630565856.db2.gz GYYKHBXIQDYOLC-KPENOIPVSA-N 1 2 279.405 3.353 20 30 CGEDLO C#CCCOc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000808431661 630644015 /nfs/dbraw/zinc/64/40/15/630644015.db2.gz KJCOTPFYOIJCFN-OAHLLOKOSA-N 1 2 279.330 3.366 20 30 CGEDLO C=C(Cl)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810097093 630837998 /nfs/dbraw/zinc/83/79/98/630837998.db2.gz CUTBTEBRNVFTQI-UHFFFAOYSA-N 1 2 263.768 3.295 20 30 CGEDLO C=C(Cl)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000810097093 630838000 /nfs/dbraw/zinc/83/80/00/630838000.db2.gz CUTBTEBRNVFTQI-UHFFFAOYSA-N 1 2 263.768 3.295 20 30 CGEDLO C#CC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccccc1 ZINC000840278022 631340653 /nfs/dbraw/zinc/34/06/53/631340653.db2.gz MHWIUTJUFZQAKL-OAHLLOKOSA-N 1 2 278.359 3.227 20 30 CGEDLO C#CC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccccc1 ZINC000840278022 631340657 /nfs/dbraw/zinc/34/06/57/631340657.db2.gz MHWIUTJUFZQAKL-OAHLLOKOSA-N 1 2 278.359 3.227 20 30 CGEDLO CCC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1cccc(N)c1 ZINC000814682603 631621679 /nfs/dbraw/zinc/62/16/79/631621679.db2.gz OFBVGFOPNRUAEN-UHFFFAOYSA-N 1 2 284.319 3.403 20 30 CGEDLO CC(=[NH+]OC1CCCCC1)c1cc(N)ccc1F ZINC000814910409 631678155 /nfs/dbraw/zinc/67/81/55/631678155.db2.gz UQADZRWOEJTNFO-UHFFFAOYSA-N 1 2 250.317 3.481 20 30 CGEDLO Nc1ccc(/C=C\C(=O)c2ccc(Cl)s2)c[nH+]1 ZINC000821029159 632714158 /nfs/dbraw/zinc/71/41/58/632714158.db2.gz ZWUTZCDDCCAULC-IWQZZHSRSA-N 1 2 264.737 3.275 20 30 CGEDLO COCc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866234545 633038559 /nfs/dbraw/zinc/03/85/59/633038559.db2.gz NJCQOVKWQWKJSR-ZDUSSCGKSA-N 1 2 296.370 3.261 20 30 CGEDLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866256282 633047909 /nfs/dbraw/zinc/04/79/09/633047909.db2.gz IKMBNVBVCYZDRE-QWRGUYRKSA-N 1 2 287.388 3.441 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C#N)c1O ZINC000866259919 633049066 /nfs/dbraw/zinc/04/90/66/633049066.db2.gz IEJPUZOQBUEVGD-MEDUHNTESA-N 1 2 294.354 3.308 20 30 CGEDLO CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269593 633055754 /nfs/dbraw/zinc/05/57/54/633055754.db2.gz JZXVFCAHTFTGGI-OCCSQVGLSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(C#N)c1O ZINC000866278259 633062764 /nfs/dbraw/zinc/06/27/64/633062764.db2.gz OAQVFJPAPURMDV-AWEZNQCLSA-N 1 2 296.370 3.131 20 30 CGEDLO Cc1cscc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866350294 633093257 /nfs/dbraw/zinc/09/32/57/633093257.db2.gz YRZJFTIEWQIEDN-NSHDSACASA-N 1 2 272.373 3.485 20 30 CGEDLO CCCc1ncc(C[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866371157 633108459 /nfs/dbraw/zinc/10/84/59/633108459.db2.gz HLPSOJVBWUJPHP-LLVKDONJSA-N 1 2 285.347 3.055 20 30 CGEDLO COCC1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866375480 633110234 /nfs/dbraw/zinc/11/02/34/633110234.db2.gz OBRVCSZINBHCEI-DNOWBOINSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+]CC1CCC(F)CC1)c1cccc(C#N)c1O ZINC000866381090 633112868 /nfs/dbraw/zinc/11/28/68/633112868.db2.gz HAILVJGDYGBVKD-DCBWTQNWSA-N 1 2 276.355 3.443 20 30 CGEDLO COc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1C ZINC000866393965 633120505 /nfs/dbraw/zinc/12/05/05/633120505.db2.gz UEHGNAGGGOLJDH-ZDUSSCGKSA-N 1 2 296.370 3.432 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccc(C#N)c1O ZINC000866450954 633140333 /nfs/dbraw/zinc/14/03/33/633140333.db2.gz BGKLOLSFHSLHOP-DDTOSNHZSA-N 1 2 262.328 3.195 20 30 CGEDLO C#CC1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000826710261 633427794 /nfs/dbraw/zinc/42/77/94/633427794.db2.gz IKTWXALRZNVLFF-UHFFFAOYSA-N 1 2 266.344 3.093 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000826861808 633438053 /nfs/dbraw/zinc/43/80/53/633438053.db2.gz KBEPGRDUEBNOLI-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO C#CC1CC[NH+](Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000830326139 633850069 /nfs/dbraw/zinc/85/00/69/633850069.db2.gz CYODSUVRPLEMJO-GFCCVEGCSA-N 1 2 278.421 3.086 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835028327 634325176 /nfs/dbraw/zinc/32/51/76/634325176.db2.gz MHIAWWZLKCTEMX-FOSCPCJNSA-N 1 2 283.419 3.390 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835028327 634325184 /nfs/dbraw/zinc/32/51/84/634325184.db2.gz MHIAWWZLKCTEMX-FOSCPCJNSA-N 1 2 283.419 3.390 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000877633212 635124382 /nfs/dbraw/zinc/12/43/82/635124382.db2.gz CVWQDKVAGPLALB-UHFFFAOYSA-N 1 2 288.782 3.170 20 30 CGEDLO CC(C)(CCC#N)CN1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000877666318 635138795 /nfs/dbraw/zinc/13/87/95/635138795.db2.gz GHXYWZHHEYTYSQ-UHFFFAOYSA-N 1 2 297.446 3.134 20 30 CGEDLO N#CC1(CO[NH+]=C(N)c2cccc3ccccc32)CCC1 ZINC000842026080 635257201 /nfs/dbraw/zinc/25/72/01/635257201.db2.gz FQKJYJPMKKCHOZ-UHFFFAOYSA-N 1 2 279.343 3.380 20 30 CGEDLO Cc1conc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878729353 635619308 /nfs/dbraw/zinc/61/93/08/635619308.db2.gz XBSOTRJXENNLTM-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1conc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878729353 635619312 /nfs/dbraw/zinc/61/93/12/635619312.db2.gz XBSOTRJXENNLTM-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO C=CCCC[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000878797823 635632208 /nfs/dbraw/zinc/63/22/08/635632208.db2.gz GLLZNZPSOCHHLK-MRXNPFEDSA-N 1 2 297.402 3.209 20 30 CGEDLO CCCCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845279966 636019622 /nfs/dbraw/zinc/01/96/22/636019622.db2.gz GHDZWUALGGQCRN-ZDUSSCGKSA-N 1 2 252.358 3.348 20 30 CGEDLO C=CCCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283604 636020062 /nfs/dbraw/zinc/02/00/62/636020062.db2.gz FCDWHFWSINNWSW-CYBMUJFWSA-N 1 2 250.342 3.124 20 30 CGEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022942 636313635 /nfs/dbraw/zinc/31/36/35/636313635.db2.gz KDQFHPSWVQVHMZ-OLZOCXBDSA-N 1 2 290.794 3.012 20 30 CGEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022942 636313644 /nfs/dbraw/zinc/31/36/44/636313644.db2.gz KDQFHPSWVQVHMZ-OLZOCXBDSA-N 1 2 290.794 3.012 20 30 CGEDLO CC(C)CC[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848418737 636572588 /nfs/dbraw/zinc/57/25/88/636572588.db2.gz SADPXEBFAMDEKA-OAHLLOKOSA-N 1 2 276.428 3.455 20 30 CGEDLO CCC(=NNCCCn1cc[nH+]c1)C1CCCCC1 ZINC000848418425 636573066 /nfs/dbraw/zinc/57/30/66/636573066.db2.gz MMZIOXZPZPODRZ-UHFFFAOYSA-N 1 2 262.401 3.209 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C\c1cccc(OC)c1O ZINC000849170477 636761540 /nfs/dbraw/zinc/76/15/40/636761540.db2.gz PSMCUOKETXFUCR-WQRHYEAKSA-N 1 2 293.407 3.397 20 30 CGEDLO CC[N@H+](C[C@@H](C)COCc1ccccc1)[C@H](C)C#N ZINC000886284389 637484141 /nfs/dbraw/zinc/48/41/41/637484141.db2.gz WBIOUZBZVGTEKM-HUUCEWRRSA-N 1 2 260.381 3.073 20 30 CGEDLO CC[N@@H+](C[C@@H](C)COCc1ccccc1)[C@H](C)C#N ZINC000886284389 637484147 /nfs/dbraw/zinc/48/41/47/637484147.db2.gz WBIOUZBZVGTEKM-HUUCEWRRSA-N 1 2 260.381 3.073 20 30 CGEDLO C#CCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852478361 637659356 /nfs/dbraw/zinc/65/93/56/637659356.db2.gz TYUFJCNQUSOGJD-LLVKDONJSA-N 1 2 283.297 3.046 20 30 CGEDLO C#CCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852478361 637659364 /nfs/dbraw/zinc/65/93/64/637659364.db2.gz TYUFJCNQUSOGJD-LLVKDONJSA-N 1 2 283.297 3.046 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2cc1C ZINC000852684119 637695179 /nfs/dbraw/zinc/69/51/79/637695179.db2.gz BADDPVYORRXTJH-SFHVURJKSA-N 1 2 296.370 3.145 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@](C)(C#N)C3)c2cc1C ZINC000852684119 637695182 /nfs/dbraw/zinc/69/51/82/637695182.db2.gz BADDPVYORRXTJH-SFHVURJKSA-N 1 2 296.370 3.145 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCSC ZINC000853352550 637822144 /nfs/dbraw/zinc/82/21/44/637822144.db2.gz YXLFWTFJPDYVKX-UHFFFAOYSA-N 1 2 264.394 3.039 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H]1CCCCO1 ZINC000853473535 637851017 /nfs/dbraw/zinc/85/10/17/637851017.db2.gz QRLKTSDOABGYBH-OAHLLOKOSA-N 1 2 288.391 3.245 20 30 CGEDLO CCOCCCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000924710658 638392347 /nfs/dbraw/zinc/39/23/47/638392347.db2.gz OMAVJKGCHWRAFX-HNNXBMFYSA-N 1 2 276.380 3.121 20 30 CGEDLO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925043905 638440856 /nfs/dbraw/zinc/44/08/56/638440856.db2.gz DYZFBKSAFJJJOP-NUTKFTJISA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000926545915 638783903 /nfs/dbraw/zinc/78/39/03/638783903.db2.gz YFPZXGQEOULNQV-CJNGLKHVSA-N 1 2 288.391 3.121 20 30 CGEDLO N#Cc1cncc(C[N@@H+](Cc2ccccc2F)C2CC2)c1 ZINC000929142149 638902274 /nfs/dbraw/zinc/90/22/74/638902274.db2.gz ZGNFCUMFJQEMNK-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cncc(C[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000929142149 638902276 /nfs/dbraw/zinc/90/22/76/638902276.db2.gz ZGNFCUMFJQEMNK-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1Cc2cccnc2C1 ZINC000930305855 638989552 /nfs/dbraw/zinc/98/95/52/638989552.db2.gz GSCUPCPBFHDFCX-UHFFFAOYSA-N 1 2 263.344 3.086 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2cccnc2C1 ZINC000930305855 638989553 /nfs/dbraw/zinc/98/95/53/638989553.db2.gz GSCUPCPBFHDFCX-UHFFFAOYSA-N 1 2 263.344 3.086 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930339936 638991950 /nfs/dbraw/zinc/99/19/50/638991950.db2.gz YZCPJCWVYWNJIB-SFHVURJKSA-N 1 2 295.361 3.332 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930339936 638991952 /nfs/dbraw/zinc/99/19/52/638991952.db2.gz YZCPJCWVYWNJIB-SFHVURJKSA-N 1 2 295.361 3.332 20 30 CGEDLO C#CC[C@H](COC)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000858859683 639031348 /nfs/dbraw/zinc/03/13/48/639031348.db2.gz AQBLDLYOZVAENS-CYBMUJFWSA-N 1 2 275.396 3.174 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2ccccc2F)n1)C1CC1 ZINC000859252000 639119742 /nfs/dbraw/zinc/11/97/42/639119742.db2.gz HQWRYBKWSIYWQF-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2ccccc2F)n1)C1CC1 ZINC000859252000 639119743 /nfs/dbraw/zinc/11/97/43/639119743.db2.gz HQWRYBKWSIYWQF-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000932156565 639277720 /nfs/dbraw/zinc/27/77/20/639277720.db2.gz IOSFLTBTHIYNHN-CYBMUJFWSA-N 1 2 298.308 3.363 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000932156565 639277730 /nfs/dbraw/zinc/27/77/30/639277730.db2.gz IOSFLTBTHIYNHN-CYBMUJFWSA-N 1 2 298.308 3.363 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1cc(F)ccc1OC ZINC000932470033 639338681 /nfs/dbraw/zinc/33/86/81/639338681.db2.gz SWEAINWVKCRIJT-MRXNPFEDSA-N 1 2 299.349 3.342 20 30 CGEDLO C=CC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000860900576 639459205 /nfs/dbraw/zinc/45/92/05/639459205.db2.gz DXHWIQGMPDTUAB-HIFRSBDPSA-N 1 2 261.365 3.187 20 30 CGEDLO C=CC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000860900576 639459208 /nfs/dbraw/zinc/45/92/08/639459208.db2.gz DXHWIQGMPDTUAB-HIFRSBDPSA-N 1 2 261.365 3.187 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625458 639470963 /nfs/dbraw/zinc/47/09/63/639470963.db2.gz SZHQZGUHHXRSNR-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625458 639470967 /nfs/dbraw/zinc/47/09/67/639470967.db2.gz SZHQZGUHHXRSNR-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000195315666 640578222 /nfs/dbraw/zinc/57/82/22/640578222.db2.gz AXAPMWYERQJBJM-CQSZACIVSA-N 1 2 299.418 3.374 20 30 CGEDLO CSCc1cc[nH+]c(NCc2ccccc2C#N)c1 ZINC001156790718 805737330 /nfs/dbraw/zinc/73/73/30/805737330.db2.gz INEVPAFQXQPYSX-UHFFFAOYSA-N 1 2 269.373 3.428 20 30 CGEDLO CCN(CC)c1cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]cn1 ZINC001156873929 805744003 /nfs/dbraw/zinc/74/40/03/805744003.db2.gz QLYJDIVIMUQOGD-ZDUSSCGKSA-N 1 2 295.390 3.368 20 30 CGEDLO CCN(CC)c1cc(N[C@@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC001156873929 805744007 /nfs/dbraw/zinc/74/40/07/805744007.db2.gz QLYJDIVIMUQOGD-ZDUSSCGKSA-N 1 2 295.390 3.368 20 30 CGEDLO C#Cc1cccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)c1 ZINC001251032213 805832904 /nfs/dbraw/zinc/83/29/04/805832904.db2.gz QKBYLAKEFGHWTR-UHFFFAOYSA-N 1 2 261.328 3.277 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001252136320 806021767 /nfs/dbraw/zinc/02/17/67/806021767.db2.gz NXVAUAPVSVUMBM-AWEZNQCLSA-N 1 2 297.443 3.394 20 30 CGEDLO CCC[C@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252789017 806115313 /nfs/dbraw/zinc/11/53/13/806115313.db2.gz MIAPUUNWGJTTTB-HNNXBMFYSA-N 1 2 280.799 3.217 20 30 CGEDLO CCC[C@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252789017 806115320 /nfs/dbraw/zinc/11/53/20/806115320.db2.gz MIAPUUNWGJTTTB-HNNXBMFYSA-N 1 2 280.799 3.217 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCCC)c(F)c2)cc[nH+]1 ZINC001211663661 814929134 /nfs/dbraw/zinc/92/91/34/814929134.db2.gz VLXRRVKPGNSSGX-UHFFFAOYSA-N 1 2 270.307 3.156 20 30 CGEDLO COc1ccc(C2(Nc3cc(CC#N)cc[nH+]3)CC2)cc1 ZINC001161262424 806361680 /nfs/dbraw/zinc/36/16/80/806361680.db2.gz PUIOJGCJURZTKH-UHFFFAOYSA-N 1 2 279.343 3.257 20 30 CGEDLO C[Si](C)(C)C#Cc1ccc(NCCCn2cc[nH+]c2)nc1 ZINC001161680965 806417191 /nfs/dbraw/zinc/41/71/91/806417191.db2.gz BMEPCBZITAWEOW-UHFFFAOYSA-N 1 2 298.466 3.009 20 30 CGEDLO C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001161691742 806422057 /nfs/dbraw/zinc/42/20/57/806422057.db2.gz QAQHWAULQKENEA-FZMZJTMJSA-N 1 2 267.332 3.086 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(OC)cccc1C(F)(F)F ZINC001255156658 806556604 /nfs/dbraw/zinc/55/66/04/806556604.db2.gz QOJUMCDQSIBRIJ-SNVBAGLBSA-N 1 2 286.297 3.496 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1COc2cc(Br)ccc21 ZINC001255159720 806557941 /nfs/dbraw/zinc/55/79/41/806557941.db2.gz ANDJWUOOCJEHNH-JQWIXIFHSA-N 1 2 295.180 3.164 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC001255165389 806563535 /nfs/dbraw/zinc/56/35/35/806563535.db2.gz XIMPCBLNLRWEFE-INIZCTEOSA-N 1 2 271.408 3.118 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001255165180 806563545 /nfs/dbraw/zinc/56/35/45/806563545.db2.gz VDGYTPZPUDRLJU-KBPBESRZSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001255165180 806563551 /nfs/dbraw/zinc/56/35/51/806563551.db2.gz VDGYTPZPUDRLJU-KBPBESRZSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001255172638 806565297 /nfs/dbraw/zinc/56/52/97/806565297.db2.gz QYTKAOBFESUBNC-INIZCTEOSA-N 1 2 291.826 3.150 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001255172929 806566867 /nfs/dbraw/zinc/56/68/67/806566867.db2.gz HGEXKIGMFCSYHP-CABCVRRESA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001255172929 806566872 /nfs/dbraw/zinc/56/68/72/806566872.db2.gz HGEXKIGMFCSYHP-CABCVRRESA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001255172930 806567165 /nfs/dbraw/zinc/56/71/65/806567165.db2.gz HGEXKIGMFCSYHP-GJZGRUSLSA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001255172930 806567172 /nfs/dbraw/zinc/56/71/72/806567172.db2.gz HGEXKIGMFCSYHP-GJZGRUSLSA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001255176284 806569904 /nfs/dbraw/zinc/56/99/04/806569904.db2.gz ZHYCUPOCJPGPHP-MRXNPFEDSA-N 1 2 284.403 3.360 20 30 CGEDLO C=C(C)CNc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001163376228 806753946 /nfs/dbraw/zinc/75/39/46/806753946.db2.gz YSNWMZDHOALYJW-UHFFFAOYSA-N 1 2 291.358 3.317 20 30 CGEDLO COc1cnccc1[C@H](Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001163397794 806758084 /nfs/dbraw/zinc/75/80/84/806758084.db2.gz JVGISHSOESGZBL-QGZVFWFLSA-N 1 2 294.358 3.114 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255848047 806767386 /nfs/dbraw/zinc/76/73/86/806767386.db2.gz VUGXYLRRDZOSOP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255848047 806767391 /nfs/dbraw/zinc/76/73/91/806767391.db2.gz VUGXYLRRDZOSOP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255848047 806767399 /nfs/dbraw/zinc/76/73/99/806767399.db2.gz VUGXYLRRDZOSOP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255848047 806767406 /nfs/dbraw/zinc/76/74/06/806767406.db2.gz VUGXYLRRDZOSOP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccccc1C)C(=O)OCC ZINC001255852823 806769034 /nfs/dbraw/zinc/76/90/34/806769034.db2.gz DPBIHSJBPSALKI-ZBFHGGJFSA-N 1 2 275.392 3.023 20 30 CGEDLO C#CCCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000708011964 799981657 /nfs/dbraw/zinc/98/16/57/799981657.db2.gz VXWAUMPVJGHDDD-UHFFFAOYSA-N 1 2 264.166 3.178 20 30 CGEDLO C#CCCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000708011964 799981665 /nfs/dbraw/zinc/98/16/65/799981665.db2.gz VXWAUMPVJGHDDD-UHFFFAOYSA-N 1 2 264.166 3.178 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115010 800831349 /nfs/dbraw/zinc/83/13/49/800831349.db2.gz UUZDFRWGZVJDJV-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115010 800831353 /nfs/dbraw/zinc/83/13/53/800831353.db2.gz UUZDFRWGZVJDJV-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033745975 800980514 /nfs/dbraw/zinc/98/05/14/800980514.db2.gz WZOAQTXXUMHICQ-CYBMUJFWSA-N 1 2 298.839 3.037 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033745975 800980519 /nfs/dbraw/zinc/98/05/19/800980519.db2.gz WZOAQTXXUMHICQ-CYBMUJFWSA-N 1 2 298.839 3.037 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609157 801319364 /nfs/dbraw/zinc/31/93/64/801319364.db2.gz SSDYFWMCWQZAAJ-CJNGLKHVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609157 801319368 /nfs/dbraw/zinc/31/93/68/801319368.db2.gz SSDYFWMCWQZAAJ-CJNGLKHVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970707 801814618 /nfs/dbraw/zinc/81/46/18/801814618.db2.gz LMFIKJBCLNNWHT-GUTXKFCHSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970707 801814623 /nfs/dbraw/zinc/81/46/23/801814623.db2.gz LMFIKJBCLNNWHT-GUTXKFCHSA-N 1 2 298.858 3.144 20 30 CGEDLO C=CCC1(C(=O)OCC(C)(C)n2cc[nH+]c2)CCCC1 ZINC001123153415 802915228 /nfs/dbraw/zinc/91/52/28/802915228.db2.gz FKENZZOOTZADJF-UHFFFAOYSA-N 1 2 276.380 3.298 20 30 CGEDLO Cc1c(F)nccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243780618 803000295 /nfs/dbraw/zinc/00/02/95/803000295.db2.gz HXRRCGKADRQXCC-KEBDBYFISA-N 1 2 282.322 3.289 20 30 CGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132064694 803370975 /nfs/dbraw/zinc/37/09/75/803370975.db2.gz MUYDOGSRDKNTJN-KBPBESRZSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132064694 803370977 /nfs/dbraw/zinc/37/09/77/803370977.db2.gz MUYDOGSRDKNTJN-KBPBESRZSA-N 1 2 284.831 3.064 20 30 CGEDLO COc1ccc(-c2cc3[nH]c[nH+]c3cc2OC)cc1C#N ZINC001244709136 803507963 /nfs/dbraw/zinc/50/79/63/803507963.db2.gz LXOUECDMMVQRIU-UHFFFAOYSA-N 1 2 279.299 3.119 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001136458512 803643880 /nfs/dbraw/zinc/64/38/80/803643880.db2.gz JNPIFBCMYJAEGE-UHFFFAOYSA-N 1 2 255.321 3.227 20 30 CGEDLO C=CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001136624882 803648875 /nfs/dbraw/zinc/64/88/75/803648875.db2.gz OKSDLSHZBBAMRQ-UHFFFAOYSA-N 1 2 255.321 3.085 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(C#N)cc1 ZINC001245498614 803769272 /nfs/dbraw/zinc/76/92/72/803769272.db2.gz ILPLPLQGEBREEV-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138333676 803897511 /nfs/dbraw/zinc/89/75/11/803897511.db2.gz LHANHKADLZJETC-UHFFFAOYSA-N 1 2 274.367 3.432 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138333676 803897521 /nfs/dbraw/zinc/89/75/21/803897521.db2.gz LHANHKADLZJETC-UHFFFAOYSA-N 1 2 274.367 3.432 20 30 CGEDLO O=C1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138335536 803898200 /nfs/dbraw/zinc/89/82/00/803898200.db2.gz VMYAPMVPPAWGRW-UHFFFAOYSA-N 1 2 289.378 3.251 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1ccno1 ZINC001138666000 803999453 /nfs/dbraw/zinc/99/94/53/803999453.db2.gz FCBNQFLNHYEBGT-UHFFFAOYSA-N 1 2 272.348 3.262 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1ccno1 ZINC001138666000 803999460 /nfs/dbraw/zinc/99/94/60/803999460.db2.gz FCBNQFLNHYEBGT-UHFFFAOYSA-N 1 2 272.348 3.262 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139082348 804125565 /nfs/dbraw/zinc/12/55/65/804125565.db2.gz NKNPWZPPDJWNQS-QGZVFWFLSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139082348 804125568 /nfs/dbraw/zinc/12/55/68/804125568.db2.gz NKNPWZPPDJWNQS-QGZVFWFLSA-N 1 2 294.358 3.004 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1C(C)C ZINC001139620997 804233136 /nfs/dbraw/zinc/23/31/36/804233136.db2.gz DACCLXMEPBPZNI-CQSZACIVSA-N 1 2 258.365 3.164 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1C(C)C ZINC001139620997 804233142 /nfs/dbraw/zinc/23/31/42/804233142.db2.gz DACCLXMEPBPZNI-CQSZACIVSA-N 1 2 258.365 3.164 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001139687378 804253886 /nfs/dbraw/zinc/25/38/86/804253886.db2.gz PHEAKUVHGGJDLR-LRDDRELGSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001139687378 804253894 /nfs/dbraw/zinc/25/38/94/804253894.db2.gz PHEAKUVHGGJDLR-LRDDRELGSA-N 1 2 290.794 3.213 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139873500 804305809 /nfs/dbraw/zinc/30/58/09/804305809.db2.gz SFHHPQLENJPFAV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139873500 804305816 /nfs/dbraw/zinc/30/58/16/804305816.db2.gz SFHHPQLENJPFAV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(O)c1 ZINC001140627844 804477914 /nfs/dbraw/zinc/47/79/14/804477914.db2.gz BBDWWYDMCCOZRP-UHFFFAOYSA-N 1 2 284.306 3.119 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(O)c1 ZINC001140627844 804477917 /nfs/dbraw/zinc/47/79/17/804477917.db2.gz BBDWWYDMCCOZRP-UHFFFAOYSA-N 1 2 284.306 3.119 20 30 CGEDLO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001141611633 804657094 /nfs/dbraw/zinc/65/70/94/804657094.db2.gz GFNUGXJBAUHQAI-AWEZNQCLSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001141611633 804657097 /nfs/dbraw/zinc/65/70/97/804657097.db2.gz GFNUGXJBAUHQAI-AWEZNQCLSA-N 1 2 298.308 3.450 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(OC(F)F)c(F)c2)cc[nH+]1 ZINC001212443824 815029485 /nfs/dbraw/zinc/02/94/85/815029485.db2.gz OODSKQYOACSKAR-UHFFFAOYSA-N 1 2 296.223 3.108 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc2cccnc2[nH]1 ZINC001143220762 804823002 /nfs/dbraw/zinc/82/30/02/804823002.db2.gz RIIQODAGSSGLKH-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc2cccnc2[nH]1 ZINC001143220762 804823009 /nfs/dbraw/zinc/82/30/09/804823009.db2.gz RIIQODAGSSGLKH-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1F ZINC001143276166 804830590 /nfs/dbraw/zinc/83/05/90/804830590.db2.gz HMFVEPZZBNPLJF-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1F ZINC001143276166 804830598 /nfs/dbraw/zinc/83/05/98/804830598.db2.gz HMFVEPZZBNPLJF-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1C(F)(F)F ZINC001143352419 804837056 /nfs/dbraw/zinc/83/70/56/804837056.db2.gz TZTVTYAPJVMLMR-CQSZACIVSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1C(F)(F)F ZINC001143352419 804837063 /nfs/dbraw/zinc/83/70/63/804837063.db2.gz TZTVTYAPJVMLMR-CQSZACIVSA-N 1 2 298.308 3.450 20 30 CGEDLO COC[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143716038 804887931 /nfs/dbraw/zinc/88/79/31/804887931.db2.gz AXEKYTOWHVMEJW-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO COC[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143716038 804887937 /nfs/dbraw/zinc/88/79/37/804887937.db2.gz AXEKYTOWHVMEJW-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724665 804888198 /nfs/dbraw/zinc/88/81/98/804888198.db2.gz ZAFBMSQXDZTHQK-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724665 804888203 /nfs/dbraw/zinc/88/82/03/804888203.db2.gz ZAFBMSQXDZTHQK-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCCCCC[N@H+](C)Cc1ncc(C(=O)OC)s1 ZINC001249464647 805155944 /nfs/dbraw/zinc/15/59/44/805155944.db2.gz DMYOCJDYKLVIDJ-UHFFFAOYSA-N 1 2 284.425 3.332 20 30 CGEDLO CCCCCCC[N@@H+](C)Cc1ncc(C(=O)OC)s1 ZINC001249464647 805155948 /nfs/dbraw/zinc/15/59/48/805155948.db2.gz DMYOCJDYKLVIDJ-UHFFFAOYSA-N 1 2 284.425 3.332 20 30 CGEDLO N#Cc1cccc(Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001250051080 805390417 /nfs/dbraw/zinc/39/04/17/805390417.db2.gz WOVDIPCSGZSPJC-UHFFFAOYSA-N 1 2 273.339 3.394 20 30 CGEDLO Cc1nc(NC(=[NH2+])C(C)(C)C)c(Cl)cc1C#N ZINC001155181890 805553318 /nfs/dbraw/zinc/55/33/18/805553318.db2.gz VWYVMQMISBKFLP-UHFFFAOYSA-N 1 2 250.733 3.350 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4CCCO[C@H]4C3)c2c1 ZINC001165330178 806994647 /nfs/dbraw/zinc/99/46/47/806994647.db2.gz DQAPMFDQDDMCOH-RDJZCZTQSA-N 1 2 293.370 3.112 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257877207 807233459 /nfs/dbraw/zinc/23/34/59/807233459.db2.gz YCLDIELRFARCRT-YMAMQOFZSA-N 1 2 252.402 3.395 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001258024995 807268125 /nfs/dbraw/zinc/26/81/25/807268125.db2.gz JJVLPOHCRVDMDD-UHFFFAOYSA-N 1 2 292.423 3.314 20 30 CGEDLO CCCCCCC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258050427 807276662 /nfs/dbraw/zinc/27/66/62/807276662.db2.gz UWPZXJWDVQDMDD-QWHCGFSZSA-N 1 2 263.372 3.437 20 30 CGEDLO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258050427 807276668 /nfs/dbraw/zinc/27/66/68/807276668.db2.gz UWPZXJWDVQDMDD-QWHCGFSZSA-N 1 2 263.372 3.437 20 30 CGEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@@](C)(C#N)CC(C)C ZINC001258115041 807313642 /nfs/dbraw/zinc/31/36/42/807313642.db2.gz DKZQRYPIHJDSLO-UKRRQHHQSA-N 1 2 268.401 3.026 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CC(C)(C)SC)C(=O)OCC ZINC001258326384 807410407 /nfs/dbraw/zinc/41/04/07/807410407.db2.gz IHHKHLOFGHKIPK-ZOWXZIJZSA-N 1 2 285.453 3.004 20 30 CGEDLO CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258337582 807417125 /nfs/dbraw/zinc/41/71/25/807417125.db2.gz NMNCCFLXHDTMBX-ZYHUDNBSSA-N 1 2 285.478 3.181 20 30 CGEDLO CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258337582 807417129 /nfs/dbraw/zinc/41/71/29/807417129.db2.gz NMNCCFLXHDTMBX-ZYHUDNBSSA-N 1 2 285.478 3.181 20 30 CGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(CCC)CC1)C(=O)OCC ZINC001258529599 807486137 /nfs/dbraw/zinc/48/61/37/807486137.db2.gz SLYNHAXUOBGUDL-KXJMLMMSSA-N 1 2 279.424 3.443 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734983 807499457 /nfs/dbraw/zinc/49/94/57/807499457.db2.gz NPFLKZASBPNGFN-AAEUAGOBSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734983 807499461 /nfs/dbraw/zinc/49/94/61/807499461.db2.gz NPFLKZASBPNGFN-AAEUAGOBSA-N 1 2 260.768 3.043 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](CCC)Cc1ccccc1)C(=O)OC ZINC001258651818 807523511 /nfs/dbraw/zinc/52/35/11/807523511.db2.gz HBTNASWIUBONRZ-CVEARBPZSA-N 1 2 275.392 3.105 20 30 CGEDLO C#C[C@](C)(CC)Nc1cc(C)[nH+]c(OC(F)F)c1 ZINC001169700282 807691946 /nfs/dbraw/zinc/69/19/46/807691946.db2.gz LYGWYQCGNKSSSF-CYBMUJFWSA-N 1 2 254.280 3.205 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@H](CC(C)(C)C)C2)c1=S ZINC001261364079 807738284 /nfs/dbraw/zinc/73/82/84/807738284.db2.gz XRRNQLHKHXWNLL-CYBMUJFWSA-N 1 2 294.468 3.316 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c1=S ZINC001261364079 807738289 /nfs/dbraw/zinc/73/82/89/807738289.db2.gz XRRNQLHKHXWNLL-CYBMUJFWSA-N 1 2 294.468 3.316 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC001170180049 807787401 /nfs/dbraw/zinc/78/74/01/807787401.db2.gz ZJBXGKOFUHBRJE-HZPDHXFCSA-N 1 2 299.455 3.437 20 30 CGEDLO C=CCCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001170298657 807820236 /nfs/dbraw/zinc/82/02/36/807820236.db2.gz IIVXKWLAELJJCI-UHFFFAOYSA-N 1 2 256.353 3.074 20 30 CGEDLO C=CCCCNc1cccc(Cc2ccncc2)[nH+]1 ZINC001170298796 807820377 /nfs/dbraw/zinc/82/03/77/807820377.db2.gz NUVDVJHLXODFBW-UHFFFAOYSA-N 1 2 253.349 3.446 20 30 CGEDLO CC(C)(S)CNc1cc2cc(F)ccc2c[nH+]1 ZINC001170302655 807822582 /nfs/dbraw/zinc/82/25/82/807822582.db2.gz RBURGVRYBKOHET-UHFFFAOYSA-N 1 2 250.342 3.494 20 30 CGEDLO CCCCCC[C@@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001170590670 807861831 /nfs/dbraw/zinc/86/18/31/807861831.db2.gz NNZOTXFMGWGVMM-CQSZACIVSA-N 1 2 252.402 3.398 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCCOCC1 ZINC001170792211 807907315 /nfs/dbraw/zinc/90/73/15/807907315.db2.gz IPLPDSLIMXVIQR-HNNXBMFYSA-N 1 2 285.428 3.049 20 30 CGEDLO N#C[C@@H]1CC=C(Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC001212855548 815160437 /nfs/dbraw/zinc/16/04/37/815160437.db2.gz ZERYCIJIJKKREL-CYBMUJFWSA-N 1 2 268.364 3.301 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](CC)CCCC ZINC001171800150 808143321 /nfs/dbraw/zinc/14/33/21/808143321.db2.gz YXJVKNXYFWVINH-HNNXBMFYSA-N 1 2 281.440 3.480 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](CC)CCCC ZINC001171800150 808143323 /nfs/dbraw/zinc/14/33/23/808143323.db2.gz YXJVKNXYFWVINH-HNNXBMFYSA-N 1 2 281.440 3.480 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001266853060 808323825 /nfs/dbraw/zinc/32/38/25/808323825.db2.gz DMGSGOHBWOCQFL-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001266853060 808323833 /nfs/dbraw/zinc/32/38/33/808323833.db2.gz DMGSGOHBWOCQFL-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172605181 808401857 /nfs/dbraw/zinc/40/18/57/808401857.db2.gz XECJLOUIJUPIDM-YPMHNXCESA-N 1 2 265.328 3.005 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721233 808418676 /nfs/dbraw/zinc/41/86/76/808418676.db2.gz DJQHSWZBCQMFQD-IAQYHMDHSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721233 808418679 /nfs/dbraw/zinc/41/86/79/808418679.db2.gz DJQHSWZBCQMFQD-IAQYHMDHSA-N 1 2 260.768 3.043 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)CC2 ZINC001172829152 808449951 /nfs/dbraw/zinc/44/99/51/808449951.db2.gz ATTNQKCFWVVIHT-IRXDYDNUSA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)CC2 ZINC001172829152 808449954 /nfs/dbraw/zinc/44/99/54/808449954.db2.gz ATTNQKCFWVVIHT-IRXDYDNUSA-N 1 2 299.439 3.126 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CCCC)C1 ZINC001267761988 808486163 /nfs/dbraw/zinc/48/61/63/808486163.db2.gz MQUQPNUDQRAATF-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CCCC)C1 ZINC001267761988 808486169 /nfs/dbraw/zinc/48/61/69/808486169.db2.gz MQUQPNUDQRAATF-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO CCCCCCCC[C@@H](CCC)[NH2+][C@H](CO)C(=O)OC ZINC001173309062 808605097 /nfs/dbraw/zinc/60/50/97/808605097.db2.gz FLJSTVMEPWFRAE-HUUCEWRRSA-N 1 2 287.444 3.029 20 30 CGEDLO C=CCOC1CCC([NH2+][C@@](C)(C#N)CCC)CC1 ZINC001173318643 808609948 /nfs/dbraw/zinc/60/99/48/808609948.db2.gz HFNLMFYJFDZZII-YMAMQOFZSA-N 1 2 250.386 3.172 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)CCC ZINC001268742957 808619926 /nfs/dbraw/zinc/61/99/26/808619926.db2.gz MWTPJHANAHXJGC-GFCCVEGCSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CCC ZINC001268742957 808619930 /nfs/dbraw/zinc/61/99/30/808619930.db2.gz MWTPJHANAHXJGC-GFCCVEGCSA-N 1 2 274.836 3.002 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1CCCC2(CCCCC2)C1)C(=O)OC ZINC001173341712 808621344 /nfs/dbraw/zinc/62/13/44/808621344.db2.gz PVYNCTNNHKCVNB-CABCVRRESA-N 1 2 277.408 3.034 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(Cl)c(C#N)c1 ZINC001174401711 808998363 /nfs/dbraw/zinc/99/83/63/808998363.db2.gz OUXYEHGEZOXXSC-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO N#CCc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1F ZINC001174412436 809006261 /nfs/dbraw/zinc/00/62/61/809006261.db2.gz LBFMMPHTKNEFFB-UHFFFAOYSA-N 1 2 266.279 3.463 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(C(F)(F)F)c2)cc[nH+]1 ZINC001175073653 809260409 /nfs/dbraw/zinc/26/04/09/809260409.db2.gz XSPIOSFMSUAHQS-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)C(=O)OCC ZINC001175175961 809299423 /nfs/dbraw/zinc/29/94/23/809299423.db2.gz YDMOCJBCFIHQGY-WFASDCNBSA-N 1 2 295.810 3.368 20 30 CGEDLO N#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1N ZINC001213437046 815282494 /nfs/dbraw/zinc/28/24/94/815282494.db2.gz KTDDXKKHVCSAIW-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC001175351559 809373616 /nfs/dbraw/zinc/37/36/16/809373616.db2.gz JBFYEPBCCAFKKS-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO N#Cc1ncc(Cl)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352050 809373720 /nfs/dbraw/zinc/37/37/20/809373720.db2.gz ZLINVXQPXVILKX-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO Cc1coc(Nc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001175858288 809559553 /nfs/dbraw/zinc/55/95/53/809559553.db2.gz WQTGYLXKZDIQQF-UHFFFAOYSA-N 1 2 297.358 3.036 20 30 CGEDLO CCCCCCN(O)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001184305315 810190165 /nfs/dbraw/zinc/19/01/65/810190165.db2.gz FWXCAEAQFVYACW-UHFFFAOYSA-N 1 2 275.352 3.054 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C=C(CC)CC)CC1 ZINC001195480258 811259589 /nfs/dbraw/zinc/25/95/89/811259589.db2.gz AHLXRZQLPIDNNT-UHFFFAOYSA-N 1 2 284.831 3.020 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C=C(CC)CC)CC1 ZINC001195480258 811259593 /nfs/dbraw/zinc/25/95/93/811259593.db2.gz AHLXRZQLPIDNNT-UHFFFAOYSA-N 1 2 284.831 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)CCCC)CC1 ZINC001195716939 811281984 /nfs/dbraw/zinc/28/19/84/811281984.db2.gz JBUASVMXUPFJKO-CYBMUJFWSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)CCCC)CC1 ZINC001195716939 811281988 /nfs/dbraw/zinc/28/19/88/811281988.db2.gz JBUASVMXUPFJKO-CYBMUJFWSA-N 1 2 286.847 3.100 20 30 CGEDLO COc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1C#N ZINC001214998759 815474694 /nfs/dbraw/zinc/47/46/94/815474694.db2.gz DQPFSHPSEIWYMD-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2nc3ncccc3cc2C#N)c1 ZINC001203655109 812417944 /nfs/dbraw/zinc/41/79/44/812417944.db2.gz WFBNCEYDVPJPLJ-UHFFFAOYSA-N 1 2 275.315 3.257 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCCC)cc2F)cc[nH+]1 ZINC001215486301 815523850 /nfs/dbraw/zinc/52/38/50/815523850.db2.gz GTSMNDVNQIIYOU-UHFFFAOYSA-N 1 2 270.307 3.156 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1C ZINC001203726168 812443649 /nfs/dbraw/zinc/44/36/49/812443649.db2.gz ZPNOBVRWTGUAPU-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)c1C ZINC001203726168 812443651 /nfs/dbraw/zinc/44/36/51/812443651.db2.gz ZPNOBVRWTGUAPU-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001204306705 812606432 /nfs/dbraw/zinc/60/64/32/812606432.db2.gz XSOYRMDPRBMIRU-QGZVFWFLSA-N 1 2 295.386 3.379 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001204306705 812606436 /nfs/dbraw/zinc/60/64/36/812606436.db2.gz XSOYRMDPRBMIRU-QGZVFWFLSA-N 1 2 295.386 3.379 20 30 CGEDLO Cc1ccc(OC(C)C)cc1[NH+]=C(NO)c1ccccc1N ZINC001215584585 815543009 /nfs/dbraw/zinc/54/30/09/815543009.db2.gz MUUCKNZKGQQLRS-UHFFFAOYSA-N 1 2 299.374 3.422 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(=O)OCC ZINC001205849714 813107501 /nfs/dbraw/zinc/10/75/01/813107501.db2.gz TWACXBAYQQNVTA-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C#CCCCCCC[NH2+][C@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001207666438 813630638 /nfs/dbraw/zinc/63/06/38/813630638.db2.gz ZJFAVSODFHSVGG-SNVBAGLBSA-N 1 2 288.317 3.058 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1CCOC[C@H]1COC ZINC001208124371 813698069 /nfs/dbraw/zinc/69/80/69/813698069.db2.gz NIFGWKOXJMNHSN-ZNFPLGDCSA-N 1 2 269.429 3.250 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1CCOC[C@H]1COC ZINC001208124371 813698072 /nfs/dbraw/zinc/69/80/72/813698072.db2.gz NIFGWKOXJMNHSN-ZNFPLGDCSA-N 1 2 269.429 3.250 20 30 CGEDLO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208163489 813718995 /nfs/dbraw/zinc/71/89/95/813718995.db2.gz WTPFLLRTTRRUGO-YDHLFZDLSA-N 1 2 277.433 3.253 20 30 CGEDLO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001208163489 813718998 /nfs/dbraw/zinc/71/89/98/813718998.db2.gz WTPFLLRTTRRUGO-YDHLFZDLSA-N 1 2 277.433 3.253 20 30 CGEDLO N#C[C@@H]1CCCC[N@@H+]1CC1CCN(c2ccccc2)CC1 ZINC001208911953 813897672 /nfs/dbraw/zinc/89/76/72/813897672.db2.gz JQUNQGNYEUYIRM-SFHVURJKSA-N 1 2 283.419 3.281 20 30 CGEDLO N#C[C@@H]1CCCC[N@H+]1CC1CCN(c2ccccc2)CC1 ZINC001208911953 813897681 /nfs/dbraw/zinc/89/76/81/813897681.db2.gz JQUNQGNYEUYIRM-SFHVURJKSA-N 1 2 283.419 3.281 20 30 CGEDLO C=CCC[N@@H+](Cc1cn[nH]c1C)Cc1ccccc1 ZINC001209555672 814083370 /nfs/dbraw/zinc/08/33/70/814083370.db2.gz GFTLOKDNKOWJED-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO C=CCC[N@H+](Cc1cn[nH]c1C)Cc1ccccc1 ZINC001209555672 814083378 /nfs/dbraw/zinc/08/33/78/814083378.db2.gz GFTLOKDNKOWJED-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO Cc1cc(Nc2ccc(N)cc2C#N)ccc1[NH+](C)C ZINC001210045743 814263355 /nfs/dbraw/zinc/26/33/55/814263355.db2.gz XIRVZVJWIPAHQY-UHFFFAOYSA-N 1 2 266.348 3.259 20 30 CGEDLO CCCCCCCCCCCN1CC[NH2+]C[C@H]1C#N ZINC001210121995 814299290 /nfs/dbraw/zinc/29/92/90/814299290.db2.gz OLHCVFPVFHKPBP-MRXNPFEDSA-N 1 2 265.445 3.315 20 30 CGEDLO CCCCCCC[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210224556 814352454 /nfs/dbraw/zinc/35/24/54/814352454.db2.gz ATXAZGNBPUOFRZ-MRXNPFEDSA-N 1 2 271.445 3.474 20 30 CGEDLO C[NH+]1CC(OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210235707 814358392 /nfs/dbraw/zinc/35/83/92/814358392.db2.gz YAUKASDMGDXERG-UHFFFAOYSA-N 1 2 278.355 3.056 20 30 CGEDLO COc1cc(Nc2ccc(Cl)nc2C#N)cc(C)[nH+]1 ZINC001210776404 814622218 /nfs/dbraw/zinc/62/22/18/814622218.db2.gz OUZHJYBVUYMHSP-UHFFFAOYSA-N 1 2 274.711 3.062 20 30 CGEDLO C#Cc1cc(Nc2cccc(C(=O)OCCCC)c2)cc[nH+]1 ZINC001211280528 814869456 /nfs/dbraw/zinc/86/94/56/814869456.db2.gz QPRGBQWWQVBBDK-UHFFFAOYSA-N 1 2 294.354 3.185 20 30 CGEDLO C=CCC1(CNC(=O)Nc2cc(C)[nH+]cc2C)CCCC1 ZINC001216004307 815657381 /nfs/dbraw/zinc/65/73/81/815657381.db2.gz RTQJENAYZAZOCT-UHFFFAOYSA-N 1 2 287.407 3.378 20 30 CGEDLO Cc1c(C#N)cccc1Nc1ccc2c(c1)[nH+]cn2C ZINC001216177305 815722222 /nfs/dbraw/zinc/72/22/22/815722222.db2.gz HQAJGHSXOJNBNI-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(C)C)nc2Cl)cc[nH+]1 ZINC001216443321 815831409 /nfs/dbraw/zinc/83/14/09/815831409.db2.gz MIKCRORHVZKMEI-UHFFFAOYSA-N 1 2 271.751 3.400 20 30 CGEDLO CC#Cc1cncc(-c2cccc(C(=[NH2+])OC)c2)c1 ZINC001242941463 823181516 /nfs/dbraw/zinc/18/15/16/823181516.db2.gz KIJJONYLOPWYLU-UHFFFAOYSA-N 1 2 250.301 3.092 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001221888030 816334285 /nfs/dbraw/zinc/33/42/85/816334285.db2.gz OIGRTRIDGJDUBR-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001221888030 816334288 /nfs/dbraw/zinc/33/42/88/816334288.db2.gz OIGRTRIDGJDUBR-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO Cc1cccc(OC2C[NH+](Cc3ccccc3)C2)c1C#N ZINC001226922557 817504731 /nfs/dbraw/zinc/50/47/31/817504731.db2.gz POEMTOHDGXAWGL-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO CC#CC[C@@H](CC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228089888 817808024 /nfs/dbraw/zinc/80/80/24/817808024.db2.gz LEWBYWHBDHXIBZ-OAHLLOKOSA-N 1 2 271.360 3.241 20 30 CGEDLO C[NH+]1CC(Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228560717 817939368 /nfs/dbraw/zinc/93/93/68/817939368.db2.gz BEOHUKYQCRUBMD-UHFFFAOYSA-N 1 2 266.344 3.130 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578969 818127675 /nfs/dbraw/zinc/12/76/75/818127675.db2.gz VVIMMTMJNCRNQA-SFHVURJKSA-N 1 2 286.378 3.432 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578969 818127680 /nfs/dbraw/zinc/12/76/80/818127680.db2.gz VVIMMTMJNCRNQA-SFHVURJKSA-N 1 2 286.378 3.432 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC001231658404 818150724 /nfs/dbraw/zinc/15/07/24/818150724.db2.gz VPFPUNLUKPFYQX-LJQANCHMSA-N 1 2 277.367 3.241 20 30 CGEDLO C#Cc1cccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC001231658404 818150729 /nfs/dbraw/zinc/15/07/29/818150729.db2.gz VPFPUNLUKPFYQX-LJQANCHMSA-N 1 2 277.367 3.241 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910727 818209313 /nfs/dbraw/zinc/20/93/13/818209313.db2.gz RPAUTCXJSKWNMP-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910727 818209316 /nfs/dbraw/zinc/20/93/16/818209316.db2.gz RPAUTCXJSKWNMP-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc2ncccc2[nH]1 ZINC001232070315 818245659 /nfs/dbraw/zinc/24/56/59/818245659.db2.gz RCXGRQDPBIPZEQ-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc2ncccc2[nH]1 ZINC001232070315 818245668 /nfs/dbraw/zinc/24/56/68/818245668.db2.gz RCXGRQDPBIPZEQ-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)nccc1OC ZINC001232154362 818266374 /nfs/dbraw/zinc/26/63/74/818266374.db2.gz MUBHUPZFXVITSK-UHFFFAOYSA-N 1 2 254.761 3.142 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)nccc1OC ZINC001232154362 818266380 /nfs/dbraw/zinc/26/63/80/818266380.db2.gz MUBHUPZFXVITSK-UHFFFAOYSA-N 1 2 254.761 3.142 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232241749 818289236 /nfs/dbraw/zinc/28/92/36/818289236.db2.gz UFOWXPSOSDAXNO-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232241749 818289247 /nfs/dbraw/zinc/28/92/47/818289247.db2.gz UFOWXPSOSDAXNO-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Br)c(CC)s1 ZINC001232290122 818307071 /nfs/dbraw/zinc/30/70/71/818307071.db2.gz PDHFKDUWDQLWSX-UHFFFAOYSA-N 1 2 296.233 3.141 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)CCC1(F)F ZINC001232673685 818415903 /nfs/dbraw/zinc/41/59/03/818415903.db2.gz LCAIKOVFBZBZJF-LLVKDONJSA-N 1 2 280.318 3.131 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)CCC1(F)F ZINC001232673685 818415907 /nfs/dbraw/zinc/41/59/07/818415907.db2.gz LCAIKOVFBZBZJF-LLVKDONJSA-N 1 2 280.318 3.131 20 30 CGEDLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232678675 818416495 /nfs/dbraw/zinc/41/64/95/818416495.db2.gz MRETYLOWAUSFOS-CYBMUJFWSA-N 1 2 296.370 3.465 20 30 CGEDLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232678675 818416502 /nfs/dbraw/zinc/41/65/02/818416502.db2.gz MRETYLOWAUSFOS-CYBMUJFWSA-N 1 2 296.370 3.465 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC001232679783 818416977 /nfs/dbraw/zinc/41/69/77/818416977.db2.gz SADDISUMXVKUQG-UHFFFAOYSA-N 1 2 293.370 3.038 20 30 CGEDLO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679180 818417624 /nfs/dbraw/zinc/41/76/24/818417624.db2.gz GBDGFKVNWKWVFM-OAHLLOKOSA-N 1 2 258.365 3.418 20 30 CGEDLO CCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679180 818417626 /nfs/dbraw/zinc/41/76/26/818417626.db2.gz GBDGFKVNWKWVFM-OAHLLOKOSA-N 1 2 258.365 3.418 20 30 CGEDLO Cc1cc(C#N)ccc1C[NH+]1CC(OCc2ccccc2)C1 ZINC001233082997 818520962 /nfs/dbraw/zinc/52/09/62/818520962.db2.gz OEBCKBVHCHAHHL-UHFFFAOYSA-N 1 2 292.382 3.268 20 30 CGEDLO Cc1cc(C[NH+]2CC(Oc3ccccc3C#N)C2)sc1C ZINC001233710962 818688729 /nfs/dbraw/zinc/68/87/29/818688729.db2.gz YZLIPPYEHDSISY-UHFFFAOYSA-N 1 2 298.411 3.500 20 30 CGEDLO C[N@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1cccc(C#N)c1 ZINC001235696138 819145372 /nfs/dbraw/zinc/14/53/72/819145372.db2.gz BNNDTVWVPFGVMH-UHFFFAOYSA-N 1 2 294.333 3.206 20 30 CGEDLO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1cccc(C#N)c1 ZINC001235696138 819145375 /nfs/dbraw/zinc/14/53/75/819145375.db2.gz BNNDTVWVPFGVMH-UHFFFAOYSA-N 1 2 294.333 3.206 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001237751769 819835636 /nfs/dbraw/zinc/83/56/36/819835636.db2.gz XCXKQUGEPXILGS-UHFFFAOYSA-N 1 2 258.365 3.137 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001237751769 819835643 /nfs/dbraw/zinc/83/56/43/819835643.db2.gz XCXKQUGEPXILGS-UHFFFAOYSA-N 1 2 258.365 3.137 20 30 CGEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1C ZINC001238075634 819926091 /nfs/dbraw/zinc/92/60/91/819926091.db2.gz LLRKFSSZBOVUQJ-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1C ZINC001238075634 819926095 /nfs/dbraw/zinc/92/60/95/819926095.db2.gz LLRKFSSZBOVUQJ-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189910 819951080 /nfs/dbraw/zinc/95/10/80/819951080.db2.gz ZCSQZNQAVRTYAK-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189910 819951085 /nfs/dbraw/zinc/95/10/85/819951085.db2.gz ZCSQZNQAVRTYAK-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO Cc1cc2c[nH+]c(C=Cc3ccc(C#N)cc3)nc2[nH]1 ZINC001239276424 820249981 /nfs/dbraw/zinc/24/99/81/820249981.db2.gz FFEFDGOOYRUWFI-VOTSOKGWSA-N 1 2 260.300 3.260 20 30 CGEDLO Cc1cc(C#N)cnc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656743 823476586 /nfs/dbraw/zinc/47/65/86/823476586.db2.gz JJTUNHJBGZPLFP-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1nc(-c2ccc3[nH+]ccn3c2)ccc1C(F)(F)F ZINC001240213901 820884361 /nfs/dbraw/zinc/88/43/61/820884361.db2.gz HKVJOXWTXUGUON-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO COc1c(C#N)c(F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001240221907 820899455 /nfs/dbraw/zinc/89/94/55/820899455.db2.gz ZEQGANVTKLTPAK-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO COc1ccc(-c2ccn3cc[nH+]c3c2)c(CC#N)c1 ZINC001240510553 821105818 /nfs/dbraw/zinc/10/58/18/821105818.db2.gz NRPRXSBYHLSRQZ-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO N#Cc1c(F)c(F)c(-c2ccn3cc[nH+]c3c2)c(F)c1F ZINC001240511282 821106419 /nfs/dbraw/zinc/10/64/19/821106419.db2.gz CTWWTKRZDWALOI-UHFFFAOYSA-N 1 2 291.207 3.429 20 30 CGEDLO C=C(C)c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001240834027 821361337 /nfs/dbraw/zinc/36/13/37/821361337.db2.gz AVOMPPKMJGFHSX-UHFFFAOYSA-N 1 2 262.316 3.362 20 30 CGEDLO N#Cc1cc(F)cc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001241655784 822033267 /nfs/dbraw/zinc/03/32/67/822033267.db2.gz YZZROLSSHPGQJK-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO C#Cc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2F)cc1 ZINC001242296818 822942834 /nfs/dbraw/zinc/94/28/34/822942834.db2.gz YAJVHLFXUWFCTC-UHFFFAOYSA-N 1 2 295.357 3.306 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001339035394 936345666 /nfs/dbraw/zinc/34/56/66/936345666.db2.gz QNRDQIBYWIOQBU-HNNXBMFYSA-N 1 2 283.375 3.214 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001340973323 936421745 /nfs/dbraw/zinc/42/17/45/936421745.db2.gz QDGONDAKPMDIMM-MRXNPFEDSA-N 1 2 287.407 3.339 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001480325369 937046620 /nfs/dbraw/zinc/04/66/20/937046620.db2.gz WOQBIAKNYRIJQZ-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001480325369 937046622 /nfs/dbraw/zinc/04/66/22/937046622.db2.gz WOQBIAKNYRIJQZ-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001485559334 927887034 /nfs/dbraw/zinc/88/70/34/927887034.db2.gz PDGUJGYSPQDPEM-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001485559334 927887044 /nfs/dbraw/zinc/88/70/44/927887044.db2.gz PDGUJGYSPQDPEM-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C\Cl)CCC1 ZINC001488654824 928290521 /nfs/dbraw/zinc/29/05/21/928290521.db2.gz OWGCCCGYKPIMHZ-MFNCVGGLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C\Cl)CCC1 ZINC001488654824 928290532 /nfs/dbraw/zinc/29/05/32/928290532.db2.gz OWGCCCGYKPIMHZ-MFNCVGGLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(=O)OCC ZINC001560967459 937238886 /nfs/dbraw/zinc/23/88/86/937238886.db2.gz IFDKCKISRKHLGY-MJVIPROJSA-N 1 2 287.831 3.475 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001462507609 928793261 /nfs/dbraw/zinc/79/32/61/928793261.db2.gz UVGHLIZFPOYDPW-ZOBORPQBSA-N 1 2 285.815 3.229 20 30 CGEDLO C=CCC1(O)C[NH+](C/C=C/c2cc(C)c(C)cc2C)C1 ZINC001462659018 928796525 /nfs/dbraw/zinc/79/65/25/928796525.db2.gz CKAVLEBAEFICAO-VOTSOKGWSA-N 1 2 271.404 3.248 20 30 CGEDLO CC[NH+]1CC(Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229933391 932505041 /nfs/dbraw/zinc/50/50/41/932505041.db2.gz PQSVRZOINAKEFC-YBFXNURJSA-N 1 2 296.370 3.226 20 30 CGEDLO CCc1cc(NCc2ccc(OC)c(C#N)c2)nc(CC)[nH+]1 ZINC001307196555 932777223 /nfs/dbraw/zinc/77/72/23/932777223.db2.gz VWLOIMXFOPRKAC-UHFFFAOYSA-N 1 2 296.374 3.094 20 30 CGEDLO N#Cc1c(F)cccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001308839107 933187525 /nfs/dbraw/zinc/18/75/25/933187525.db2.gz FDMQCXBIERHYIS-UHFFFAOYSA-N 1 2 266.279 3.186 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308918184 933204311 /nfs/dbraw/zinc/20/43/11/933204311.db2.gz MZRCOJXPTXRKDT-DOTOQJQBSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001317164913 933545784 /nfs/dbraw/zinc/54/57/84/933545784.db2.gz FHSHHPSQDGWMMA-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001317164913 933545791 /nfs/dbraw/zinc/54/57/91/933545791.db2.gz FHSHHPSQDGWMMA-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001317486055 933603352 /nfs/dbraw/zinc/60/33/52/933603352.db2.gz IUNILIOUBFYVGU-IUODEOHRSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001317486055 933603353 /nfs/dbraw/zinc/60/33/53/933603353.db2.gz IUNILIOUBFYVGU-IUODEOHRSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321028680 934139822 /nfs/dbraw/zinc/13/98/22/934139822.db2.gz HUPBVXDLWDXPMJ-OAHLLOKOSA-N 1 2 283.375 3.049 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@](C)(CCC)C2)c1=S ZINC001322140784 934251798 /nfs/dbraw/zinc/25/17/98/934251798.db2.gz KQOTVYHBOMLLKN-OAHLLOKOSA-N 1 2 294.468 3.460 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@](C)(CCC)C2)c1=S ZINC001322140784 934251804 /nfs/dbraw/zinc/25/18/04/934251804.db2.gz KQOTVYHBOMLLKN-OAHLLOKOSA-N 1 2 294.468 3.460 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc2c(c1)COC2 ZINC001322818266 934337292 /nfs/dbraw/zinc/33/72/92/934337292.db2.gz CNTQSKIZONBACW-BQYQJAHWSA-N 1 2 294.354 3.074 20 30 CGEDLO Cc1[nH]c(CNc2ncc(C#N)c3ccsc32)[nH+]c1C ZINC001472883379 937787836 /nfs/dbraw/zinc/78/78/36/937787836.db2.gz RPJAKFXNODUNEZ-UHFFFAOYSA-N 1 2 283.360 3.120 20 30 CGEDLO C#CC[C@@H](CCOC)Nc1cc(C)c2ccccc2[nH+]1 ZINC001328818598 935171529 /nfs/dbraw/zinc/17/15/29/935171529.db2.gz HMBWVLAIBYOKPF-AWEZNQCLSA-N 1 2 268.360 3.384 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001329588946 935231010 /nfs/dbraw/zinc/23/10/10/935231010.db2.gz QBJHRYUEQSDRBC-OLZOCXBDSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001329588946 935231012 /nfs/dbraw/zinc/23/10/12/935231012.db2.gz QBJHRYUEQSDRBC-OLZOCXBDSA-N 1 2 274.836 3.002 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1=S ZINC001333725462 936060535 /nfs/dbraw/zinc/06/05/35/936060535.db2.gz LZHDJCMFOKTWNH-CQSZACIVSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1=S ZINC001333725462 936060539 /nfs/dbraw/zinc/06/05/39/936060539.db2.gz LZHDJCMFOKTWNH-CQSZACIVSA-N 1 2 292.452 3.070 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1csc(C#N)c1 ZINC001333780606 936065572 /nfs/dbraw/zinc/06/55/72/936065572.db2.gz PDEIQAXUHXIEBZ-LBPRGKRZSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1csc(C#N)c1 ZINC001333780606 936065576 /nfs/dbraw/zinc/06/55/76/936065576.db2.gz PDEIQAXUHXIEBZ-LBPRGKRZSA-N 1 2 264.394 3.009 20 30 CGEDLO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(C#N)c1O ZINC001335520339 936150794 /nfs/dbraw/zinc/15/07/94/936150794.db2.gz JHLIBMAXXBHMHQ-VOIZVOFFSA-N 1 2 278.302 3.102 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2csc(C(F)(F)F)n2)c1 ZINC001473927110 937830348 /nfs/dbraw/zinc/83/03/48/937830348.db2.gz WVGUBXZMVBLKKS-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CC[C@H](C)CC)cc2C1 ZINC001502653324 937982903 /nfs/dbraw/zinc/98/29/03/937982903.db2.gz ZHMUXEZKCOTFBA-OAHLLOKOSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC[C@H](C)CC)cc2C1 ZINC001502653324 937982904 /nfs/dbraw/zinc/98/29/04/937982904.db2.gz ZHMUXEZKCOTFBA-OAHLLOKOSA-N 1 2 298.430 3.078 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001506744722 937991570 /nfs/dbraw/zinc/99/15/70/937991570.db2.gz APFOMWYMXFSNMW-BBRMVZONSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001506744722 937991571 /nfs/dbraw/zinc/99/15/71/937991571.db2.gz APFOMWYMXFSNMW-BBRMVZONSA-N 1 2 298.858 3.168 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001560130033 938244539 /nfs/dbraw/zinc/24/45/39/938244539.db2.gz JHSMSLBOJYCZTC-MRXNPFEDSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001560130033 938244540 /nfs/dbraw/zinc/24/45/40/938244540.db2.gz JHSMSLBOJYCZTC-MRXNPFEDSA-N 1 2 272.392 3.457 20 30 CGEDLO N#CCc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC001560475684 938259545 /nfs/dbraw/zinc/25/95/45/938259545.db2.gz JRKYCRWXDPBGLK-UHFFFAOYSA-N 1 2 262.316 3.012 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1C[C@@H](OCCCC)C1(C)C)C(=O)OCC ZINC001560808658 938276995 /nfs/dbraw/zinc/27/69/95/938276995.db2.gz MUGATTNBTVQUJY-SOUVJXGZSA-N 1 2 297.439 3.068 20 30 CGEDLO CCOC(=[NH2+])c1cccc(-c2ccc(C#N)cc2N)c1 ZINC001244091511 960418483 /nfs/dbraw/zinc/41/84/83/960418483.db2.gz YVLGWQIKMGGJSJ-UHFFFAOYSA-N 1 2 265.316 3.169 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001567763174 961429625 /nfs/dbraw/zinc/42/96/25/961429625.db2.gz JWWJYVHLNIUSNB-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001567763174 961429633 /nfs/dbraw/zinc/42/96/33/961429633.db2.gz JWWJYVHLNIUSNB-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001570712397 962061468 /nfs/dbraw/zinc/06/14/68/962061468.db2.gz KDMOKGORKMYJCM-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001570712397 962061482 /nfs/dbraw/zinc/06/14/82/962061482.db2.gz KDMOKGORKMYJCM-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000273848188 192334095 /nfs/dbraw/zinc/33/40/95/192334095.db2.gz JEGHCZRTEIJDEL-SSDOTTSWSA-N 1 2 293.567 3.386 20 30 CGEDLO C=CC[C@H]1CC[C@H]([NH2+]Cc2[nH]ncc2Br)C1 ZINC000651720327 398274814 /nfs/dbraw/zinc/27/48/14/398274814.db2.gz WXZDNKKSISGCII-UWVGGRQHSA-N 1 2 284.201 3.007 20 30 CGEDLO CCc1ccc2[nH+]ccc(N3CC[C@@](F)(C#N)C3)c2c1 ZINC000590698802 346865269 /nfs/dbraw/zinc/86/52/69/346865269.db2.gz WOPQQRPGADTBPZ-MRXNPFEDSA-N 1 2 269.323 3.239 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1csnn1 ZINC000591256103 346912187 /nfs/dbraw/zinc/91/21/87/346912187.db2.gz IBQHTYSMFWECSL-HZMBPMFUSA-N 1 2 284.388 3.138 20 30 CGEDLO Cc1cnc(C2CCN(c3cc(C)[nH+]cc3C#N)CC2)s1 ZINC000591824415 346939493 /nfs/dbraw/zinc/93/94/93/346939493.db2.gz KYPUCXMEFSCMNH-UHFFFAOYSA-N 1 2 298.415 3.411 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000591845532 346941842 /nfs/dbraw/zinc/94/18/42/346941842.db2.gz FPTYVIPSRLRWKZ-SFHVURJKSA-N 1 2 292.386 3.269 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000591845532 346941844 /nfs/dbraw/zinc/94/18/44/346941844.db2.gz FPTYVIPSRLRWKZ-SFHVURJKSA-N 1 2 292.386 3.269 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3ccncc3C#N)CCCC2)n1 ZINC000592084185 346961446 /nfs/dbraw/zinc/96/14/46/346961446.db2.gz UQAYGTZDNHGXQZ-UHFFFAOYSA-N 1 2 298.415 3.277 20 30 CGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(C)(C)C ZINC000592145034 346967133 /nfs/dbraw/zinc/96/71/33/346967133.db2.gz MFSRRBDHGBNWBB-HNNXBMFYSA-N 1 2 288.391 3.140 20 30 CGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(C)(C)C ZINC000592145034 346967136 /nfs/dbraw/zinc/96/71/36/346967136.db2.gz MFSRRBDHGBNWBB-HNNXBMFYSA-N 1 2 288.391 3.140 20 30 CGEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592101410 346963619 /nfs/dbraw/zinc/96/36/19/346963619.db2.gz AEHOKJVKUDFBMG-LBPRGKRZSA-N 1 2 297.406 3.064 20 30 CGEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccncc1C#N ZINC000592112243 346964290 /nfs/dbraw/zinc/96/42/90/346964290.db2.gz JUWVQRZRFUFSQG-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1ccncc1C#N ZINC000592112243 346964293 /nfs/dbraw/zinc/96/42/93/346964293.db2.gz JUWVQRZRFUFSQG-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000592120615 346964481 /nfs/dbraw/zinc/96/44/81/346964481.db2.gz HZMBHIOPQWHJMY-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000592120615 346964485 /nfs/dbraw/zinc/96/44/85/346964485.db2.gz HZMBHIOPQWHJMY-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cnccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000592120339 346964501 /nfs/dbraw/zinc/96/45/01/346964501.db2.gz FUPCQGINHFWLGF-UHFFFAOYSA-N 1 2 283.297 3.118 20 30 CGEDLO C=CCOc1ccc(C[NH2+]CC(F)(F)CC)cc1 ZINC000623680567 349865392 /nfs/dbraw/zinc/86/53/92/349865392.db2.gz PKEBKTFEOJNILQ-UHFFFAOYSA-N 1 2 255.308 3.386 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000592504919 346993475 /nfs/dbraw/zinc/99/34/75/346993475.db2.gz MROFVVICVDEWRU-LBPRGKRZSA-N 1 2 298.390 3.113 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000592504919 346993477 /nfs/dbraw/zinc/99/34/77/346993477.db2.gz MROFVVICVDEWRU-LBPRGKRZSA-N 1 2 298.390 3.113 20 30 CGEDLO C[N@H+]1CCN(CCCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593090866 347038386 /nfs/dbraw/zinc/03/83/86/347038386.db2.gz YUZHYTMOYQBYGH-GOSISDBHSA-N 1 2 299.462 3.175 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000051406096 345090280 /nfs/dbraw/zinc/09/02/80/345090280.db2.gz IRAHVDHNJQALEN-LLVKDONJSA-N 1 2 266.747 3.400 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000051406096 345090281 /nfs/dbraw/zinc/09/02/81/345090281.db2.gz IRAHVDHNJQALEN-LLVKDONJSA-N 1 2 266.747 3.400 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000054183461 345130418 /nfs/dbraw/zinc/13/04/18/345130418.db2.gz ZEXAWVMNCVVLIB-NSHDSACASA-N 1 2 284.306 3.078 20 30 CGEDLO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1cccs1 ZINC000060942746 345224877 /nfs/dbraw/zinc/22/48/77/345224877.db2.gz JTYLCIGNRZBSRJ-CQSZACIVSA-N 1 2 292.448 3.137 20 30 CGEDLO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1cccs1 ZINC000060942746 345224879 /nfs/dbraw/zinc/22/48/79/345224879.db2.gz JTYLCIGNRZBSRJ-CQSZACIVSA-N 1 2 292.448 3.137 20 30 CGEDLO COc1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)cc1C#N ZINC000152985821 232212442 /nfs/dbraw/zinc/21/24/42/232212442.db2.gz AKOJSGIEZZMIJI-UHFFFAOYSA-N 1 2 299.280 3.243 20 30 CGEDLO Cc1ccn2cc(CNc3nc(C)cc(C)c3C#N)[nH+]c2c1 ZINC000079860931 345656608 /nfs/dbraw/zinc/65/66/08/345656608.db2.gz JWJMUFXAMRQHLB-UHFFFAOYSA-N 1 2 291.358 3.138 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1noc(Cc2ccccc2C)n1 ZINC000083224970 345725180 /nfs/dbraw/zinc/72/51/80/345725180.db2.gz SWXKSLFFMKIFLK-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C=CCCC[N@H+](C)Cc1noc(Cc2ccccc2C)n1 ZINC000083224970 345725182 /nfs/dbraw/zinc/72/51/82/345725182.db2.gz SWXKSLFFMKIFLK-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084072117 345728892 /nfs/dbraw/zinc/72/88/92/345728892.db2.gz YKLRZMKAEFANME-GFCCVEGCSA-N 1 2 291.420 3.052 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084072117 345728895 /nfs/dbraw/zinc/72/88/95/345728895.db2.gz YKLRZMKAEFANME-GFCCVEGCSA-N 1 2 291.420 3.052 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C(C)C)C2CC2)c1C#N ZINC000091066534 345802083 /nfs/dbraw/zinc/80/20/83/345802083.db2.gz HHLVJIARIWMTOO-UHFFFAOYSA-N 1 2 294.402 3.425 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C(C)C)C2CC2)c1C#N ZINC000091066534 345802086 /nfs/dbraw/zinc/80/20/86/345802086.db2.gz HHLVJIARIWMTOO-UHFFFAOYSA-N 1 2 294.402 3.425 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093872176 345892383 /nfs/dbraw/zinc/89/23/83/345892383.db2.gz OUHXXCBRROXRRV-HOTGVXAUSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000093872176 345892385 /nfs/dbraw/zinc/89/23/85/345892385.db2.gz OUHXXCBRROXRRV-HOTGVXAUSA-N 1 2 283.400 3.415 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1Br ZINC000134971646 346084585 /nfs/dbraw/zinc/08/45/85/346084585.db2.gz FGTFJRHXDQUXCT-QMMMGPOBSA-N 1 2 287.588 3.494 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000164665203 346183214 /nfs/dbraw/zinc/18/32/14/346183214.db2.gz ASGSMQVYHJEPKT-MRVPVSSYSA-N 1 2 287.588 3.352 20 30 CGEDLO C[C@H]1C[C@H](C[NH+]=Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000271347443 346411553 /nfs/dbraw/zinc/41/15/53/346411553.db2.gz KQTQGSQZEVGCQV-ANAVMNJASA-N 1 2 284.359 3.174 20 30 CGEDLO CC[C@@](C)(C#N)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000350069515 346517616 /nfs/dbraw/zinc/51/76/16/346517616.db2.gz PGPQYKDUMBHDPB-INIZCTEOSA-N 1 2 293.330 3.114 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc(C#N)cc2F)c(C)c1 ZINC000401127549 346592104 /nfs/dbraw/zinc/59/21/04/346592104.db2.gz UZFNVIUNJNAOOU-UHFFFAOYSA-N 1 2 269.323 3.364 20 30 CGEDLO Cc1cc(C[N@@H+]2Cc3cccc(C#N)c3C2)cs1 ZINC000405165653 346602221 /nfs/dbraw/zinc/60/22/21/346602221.db2.gz LRDHCPOPDOKBSU-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1cc(C[N@H+]2Cc3cccc(C#N)c3C2)cs1 ZINC000405165653 346602226 /nfs/dbraw/zinc/60/22/26/346602226.db2.gz LRDHCPOPDOKBSU-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO C=C[C@@H](CC(=O)Nc1cc[nH+]cc1CC)c1ccccc1 ZINC000536244966 346649682 /nfs/dbraw/zinc/64/96/82/346649682.db2.gz RIUFDABCGVUNEO-AWEZNQCLSA-N 1 2 280.371 3.364 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)no1 ZINC000585726496 346727858 /nfs/dbraw/zinc/72/78/58/346727858.db2.gz KSBPWYHCVIFJNV-SNVBAGLBSA-N 1 2 275.739 3.359 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000119163345 370650243 /nfs/dbraw/zinc/65/02/43/370650243.db2.gz BUEOFRUHNDUAJR-UHFFFAOYSA-N 1 2 295.342 3.058 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000594028844 347140345 /nfs/dbraw/zinc/14/03/45/347140345.db2.gz ZUVCBWAPYMFOKC-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000594028844 347140350 /nfs/dbraw/zinc/14/03/50/347140350.db2.gz ZUVCBWAPYMFOKC-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO Cc1c[nH+]c(CCNc2cccc(C#N)c2[N+](=O)[O-])c(C)c1 ZINC000594595505 347198383 /nfs/dbraw/zinc/19/83/83/347198383.db2.gz GMAYWHSDHVOUKH-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO COc1cc(C)ccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594610831 347202910 /nfs/dbraw/zinc/20/29/10/347202910.db2.gz FPNYBHCDRYVUPS-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cc(C)ccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594610831 347202915 /nfs/dbraw/zinc/20/29/15/347202915.db2.gz FPNYBHCDRYVUPS-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C ZINC000594614044 347204033 /nfs/dbraw/zinc/20/40/33/347204033.db2.gz XZXDWAJTVOVIPW-INIZCTEOSA-N 1 2 282.391 3.271 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000594981450 347248809 /nfs/dbraw/zinc/24/88/09/347248809.db2.gz QFOOCWSHOWASEB-UHFFFAOYSA-N 1 2 291.326 3.298 20 30 CGEDLO CC[C@H](CC(F)F)C[N@H+](CCC#N)Cc1ccccn1 ZINC000595343409 347294487 /nfs/dbraw/zinc/29/44/87/347294487.db2.gz QHRJZCYEBGNBJU-CYBMUJFWSA-N 1 2 281.350 3.479 20 30 CGEDLO CC[C@H](CC(F)F)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000595343409 347294491 /nfs/dbraw/zinc/29/44/91/347294491.db2.gz QHRJZCYEBGNBJU-CYBMUJFWSA-N 1 2 281.350 3.479 20 30 CGEDLO CS[C@@H]1CCCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595388028 347297665 /nfs/dbraw/zinc/29/76/65/347297665.db2.gz SNXMDXDTQBGFCR-CABCVRRESA-N 1 2 260.406 3.469 20 30 CGEDLO CS[C@@H]1CCCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595388028 347297669 /nfs/dbraw/zinc/29/76/69/347297669.db2.gz SNXMDXDTQBGFCR-CABCVRRESA-N 1 2 260.406 3.469 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)c2cccc(F)c2)C1 ZINC000595057755 347272779 /nfs/dbraw/zinc/27/27/79/347272779.db2.gz DSGWTJOOJKMCHI-ZWNOBZJWSA-N 1 2 268.282 3.199 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc2n(n1)CCCC2 ZINC000595090202 347280425 /nfs/dbraw/zinc/28/04/25/347280425.db2.gz FQMDQGVOAFYVCV-CQSZACIVSA-N 1 2 286.423 3.344 20 30 CGEDLO CC[N@H+](CCCOc1cc(C)ccc1C)[C@@H](C)C#N ZINC000595813585 347358404 /nfs/dbraw/zinc/35/84/04/347358404.db2.gz VVNKFPJSCASSOR-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1cc(C)ccc1C)[C@@H](C)C#N ZINC000595813585 347358407 /nfs/dbraw/zinc/35/84/07/347358407.db2.gz VVNKFPJSCASSOR-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO CCCCc1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595642127 347331957 /nfs/dbraw/zinc/33/19/57/347331957.db2.gz OXNKTANIZRYRJK-UHFFFAOYSA-N 1 2 298.390 3.309 20 30 CGEDLO CC[N@H+](CC[C@H](C)OCc1ccccc1)[C@@H](C)C#N ZINC000595819890 347360416 /nfs/dbraw/zinc/36/04/16/347360416.db2.gz GPTROSFJEYWBJE-GJZGRUSLSA-N 1 2 260.381 3.216 20 30 CGEDLO CC[N@@H+](CC[C@H](C)OCc1ccccc1)[C@@H](C)C#N ZINC000595819890 347360418 /nfs/dbraw/zinc/36/04/18/347360418.db2.gz GPTROSFJEYWBJE-GJZGRUSLSA-N 1 2 260.381 3.216 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OCC ZINC000595834052 347363408 /nfs/dbraw/zinc/36/34/08/347363408.db2.gz GMNLMUWXUZUMFY-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO CCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OCC ZINC000595834052 347363411 /nfs/dbraw/zinc/36/34/11/347363411.db2.gz GMNLMUWXUZUMFY-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC3CC2(C)C3)c1C#N ZINC000595918402 347372758 /nfs/dbraw/zinc/37/27/58/347372758.db2.gz BDABZYDQORIHHR-UHFFFAOYSA-N 1 2 292.386 3.037 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC3CC2(C)C3)c1C#N ZINC000595918402 347372759 /nfs/dbraw/zinc/37/27/59/347372759.db2.gz BDABZYDQORIHHR-UHFFFAOYSA-N 1 2 292.386 3.037 20 30 CGEDLO CC[N@@H+](Cc1cc2ccc(C)cc2[nH]1)C[C@H](C)C#N ZINC000596992013 347525936 /nfs/dbraw/zinc/52/59/36/347525936.db2.gz PKXRYKZRXHEHJG-CYBMUJFWSA-N 1 2 255.365 3.458 20 30 CGEDLO CC[N@H+](Cc1cc2ccc(C)cc2[nH]1)C[C@H](C)C#N ZINC000596992013 347525939 /nfs/dbraw/zinc/52/59/39/347525939.db2.gz PKXRYKZRXHEHJG-CYBMUJFWSA-N 1 2 255.365 3.458 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2ccc(C)cc2[nH]1 ZINC000597130398 347537976 /nfs/dbraw/zinc/53/79/76/347537976.db2.gz RGBIZLIXGXGXHT-UHFFFAOYSA-N 1 2 253.349 3.378 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2ccc(C)cc2[nH]1 ZINC000597130398 347537979 /nfs/dbraw/zinc/53/79/79/347537979.db2.gz RGBIZLIXGXGXHT-UHFFFAOYSA-N 1 2 253.349 3.378 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000597228151 347557921 /nfs/dbraw/zinc/55/79/21/347557921.db2.gz ADZYLPHAKLEFLY-CQSZACIVSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000597228151 347557924 /nfs/dbraw/zinc/55/79/24/347557924.db2.gz ADZYLPHAKLEFLY-CQSZACIVSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000597231729 347559685 /nfs/dbraw/zinc/55/96/85/347559685.db2.gz ONHKAPPWLKYWSS-XYBNCVKDSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000597231729 347559688 /nfs/dbraw/zinc/55/96/88/347559688.db2.gz ONHKAPPWLKYWSS-XYBNCVKDSA-N 1 2 262.303 3.214 20 30 CGEDLO N#CCC1C[NH+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000597193344 347547983 /nfs/dbraw/zinc/54/79/83/347547983.db2.gz QEQMNNPXFPTCOI-UHFFFAOYSA-N 1 2 287.363 3.295 20 30 CGEDLO N#CCC1C[NH+](Cc2cccc(Cl)c2Cl)C1 ZINC000597193066 347548002 /nfs/dbraw/zinc/54/80/02/347548002.db2.gz CMNGURWJRMGNIM-UHFFFAOYSA-N 1 2 255.148 3.339 20 30 CGEDLO N#CCC1C[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000597194632 347548796 /nfs/dbraw/zinc/54/87/96/347548796.db2.gz UQJKJGWUCRCIQX-UHFFFAOYSA-N 1 2 260.724 3.432 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C)o1)Cc1cccc(C#N)c1 ZINC000600116647 347781457 /nfs/dbraw/zinc/78/14/57/347781457.db2.gz ZWULKUKLCQSNPI-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C)o1)Cc1cccc(C#N)c1 ZINC000600116647 347781459 /nfs/dbraw/zinc/78/14/59/347781459.db2.gz ZWULKUKLCQSNPI-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO Cc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1C#N ZINC000599369598 347740287 /nfs/dbraw/zinc/74/02/87/347740287.db2.gz FYGWZYYPEPGIDK-LBPRGKRZSA-N 1 2 298.390 3.398 20 30 CGEDLO COCCCCNc1ccc(-c2cccc(F)c2C#N)c[nH+]1 ZINC000600790482 347836926 /nfs/dbraw/zinc/83/69/26/347836926.db2.gz LACPXTVEZYYWSP-UHFFFAOYSA-N 1 2 299.349 3.020 20 30 CGEDLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)CC1(C#N)CC1 ZINC000601955086 347929259 /nfs/dbraw/zinc/92/92/59/347929259.db2.gz SFLABMKQADQUOS-ZDUSSCGKSA-N 1 2 283.375 3.044 20 30 CGEDLO CCCCc1[nH+]c2ccccc2n1C[C@H](O)CC1(C#N)CC1 ZINC000601956063 347929299 /nfs/dbraw/zinc/92/92/99/347929299.db2.gz XCHPIZPQGGLRST-CQSZACIVSA-N 1 2 297.402 3.434 20 30 CGEDLO Cc1ncc([C@@H](C)[N@@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000602466549 347963003 /nfs/dbraw/zinc/96/30/03/347963003.db2.gz XRHXFIZAPSHXBN-CQSZACIVSA-N 1 2 274.412 3.416 20 30 CGEDLO Cc1ncc([C@@H](C)[N@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000602466549 347963004 /nfs/dbraw/zinc/96/30/04/347963004.db2.gz XRHXFIZAPSHXBN-CQSZACIVSA-N 1 2 274.412 3.416 20 30 CGEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2ccsc2)O1 ZINC000602787835 348029491 /nfs/dbraw/zinc/02/94/91/348029491.db2.gz KLKKIOBPMYQIFV-OCCSQVGLSA-N 1 2 276.405 3.204 20 30 CGEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2ccsc2)O1 ZINC000602787835 348029493 /nfs/dbraw/zinc/02/94/93/348029493.db2.gz KLKKIOBPMYQIFV-OCCSQVGLSA-N 1 2 276.405 3.204 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@@H](C)C#N ZINC000602772203 348026246 /nfs/dbraw/zinc/02/62/46/348026246.db2.gz QBDNXYCXMDBGQT-LBPRGKRZSA-N 1 2 269.348 3.242 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)C[C@@H](C)C#N ZINC000602772203 348026249 /nfs/dbraw/zinc/02/62/49/348026249.db2.gz QBDNXYCXMDBGQT-LBPRGKRZSA-N 1 2 269.348 3.242 20 30 CGEDLO N#CCC[C@H](Nc1cc(CO)cc[nH+]1)c1ccccc1 ZINC000603318119 348070361 /nfs/dbraw/zinc/07/03/61/348070361.db2.gz RGYFYBSYENROFO-HNNXBMFYSA-N 1 2 267.332 3.031 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+](CC3(CC#N)CC3)CCO2)ccc1F ZINC000602799384 348031118 /nfs/dbraw/zinc/03/11/18/348031118.db2.gz ODELBEQHOUSFFS-INIZCTEOSA-N 1 2 288.366 3.201 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+](CC3(CC#N)CC3)CCO2)ccc1F ZINC000602799384 348031121 /nfs/dbraw/zinc/03/11/21/348031121.db2.gz ODELBEQHOUSFFS-INIZCTEOSA-N 1 2 288.366 3.201 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602864559 348038145 /nfs/dbraw/zinc/03/81/45/348038145.db2.gz RZNAAYKPNLDPJS-KBPBESRZSA-N 1 2 287.407 3.337 20 30 CGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602864511 348038279 /nfs/dbraw/zinc/03/82/79/348038279.db2.gz RRQCUQYTFHYJRW-IHRRRGAJSA-N 1 2 287.407 3.419 20 30 CGEDLO COc1cccc(-c2nc(C[NH2+][C@H](C)CC#N)cs2)c1 ZINC000602866088 348038320 /nfs/dbraw/zinc/03/83/20/348038320.db2.gz YGSHKEYKYGQAGX-LLVKDONJSA-N 1 2 287.388 3.210 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602974906 348048327 /nfs/dbraw/zinc/04/83/27/348048327.db2.gz VSRSJLXXQVXLQY-FZMZJTMJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602974906 348048330 /nfs/dbraw/zinc/04/83/30/348048330.db2.gz VSRSJLXXQVXLQY-FZMZJTMJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[C@@H]1C#N ZINC000602977730 348049296 /nfs/dbraw/zinc/04/92/96/348049296.db2.gz GIVGPWJFYNBCPL-RHSMWYFYSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[C@@H]1C#N ZINC000602977730 348049298 /nfs/dbraw/zinc/04/92/98/348049298.db2.gz GIVGPWJFYNBCPL-RHSMWYFYSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCC[C@H]1C#N ZINC000602978584 348049527 /nfs/dbraw/zinc/04/95/27/348049527.db2.gz SOCBJWQMLLRXEG-GXFFZTMASA-N 1 2 273.311 3.091 20 30 CGEDLO C[N@@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCC[C@H]1C#N ZINC000602978584 348049531 /nfs/dbraw/zinc/04/95/31/348049531.db2.gz SOCBJWQMLLRXEG-GXFFZTMASA-N 1 2 273.311 3.091 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602980272 348050192 /nfs/dbraw/zinc/05/01/92/348050192.db2.gz OBSGWEIDMCSBRA-NHYWBVRUSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602980272 348050195 /nfs/dbraw/zinc/05/01/95/348050195.db2.gz OBSGWEIDMCSBRA-NHYWBVRUSA-N 1 2 278.783 3.473 20 30 CGEDLO Cc1cn2cc(NC(=O)Nc3cccc(C#N)c3)ccc2[nH+]1 ZINC000610413867 348382441 /nfs/dbraw/zinc/38/24/41/348382441.db2.gz MVVLWJZLTKQVHL-UHFFFAOYSA-N 1 2 291.314 3.158 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012850 348361198 /nfs/dbraw/zinc/36/11/98/348361198.db2.gz IXMGZFWYGXPOJL-CYBMUJFWSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012850 348361203 /nfs/dbraw/zinc/36/12/03/348361203.db2.gz IXMGZFWYGXPOJL-CYBMUJFWSA-N 1 2 288.391 3.110 20 30 CGEDLO C[N@H+](Cc1n[nH]c2ccccc21)Cc1cccc(C#N)c1 ZINC000611254319 348432031 /nfs/dbraw/zinc/43/20/31/348432031.db2.gz FCDWMQCBWJJENB-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO C[N@@H+](Cc1n[nH]c2ccccc21)Cc1cccc(C#N)c1 ZINC000611254319 348432033 /nfs/dbraw/zinc/43/20/33/348432033.db2.gz FCDWMQCBWJJENB-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1ncccc1C(F)(F)F ZINC000611259157 348432388 /nfs/dbraw/zinc/43/23/88/348432388.db2.gz BSOJABGXXDHRDY-UHFFFAOYSA-N 1 2 271.286 3.224 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1ncccc1C(F)(F)F ZINC000611259157 348432392 /nfs/dbraw/zinc/43/23/92/348432392.db2.gz BSOJABGXXDHRDY-UHFFFAOYSA-N 1 2 271.286 3.224 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1nn(C)c2ccccc12 ZINC000611268811 348432989 /nfs/dbraw/zinc/43/29/89/348432989.db2.gz JUIMPTSWDSRLOK-UHFFFAOYSA-N 1 2 284.407 3.335 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1nn(C)c2ccccc12 ZINC000611268811 348432994 /nfs/dbraw/zinc/43/29/94/348432994.db2.gz JUIMPTSWDSRLOK-UHFFFAOYSA-N 1 2 284.407 3.335 20 30 CGEDLO CCCCc1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611386424 348443914 /nfs/dbraw/zinc/44/39/14/348443914.db2.gz WVKFPUBVHDGWCP-LBPRGKRZSA-N 1 2 284.363 3.135 20 30 CGEDLO COc1ccc[nH+]c1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611477170 348455039 /nfs/dbraw/zinc/45/50/39/348455039.db2.gz DPTRTQRNGILGAW-HNNXBMFYSA-N 1 2 279.343 3.451 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000612158644 348497678 /nfs/dbraw/zinc/49/76/78/348497678.db2.gz NQSCQKRHXMDDTK-KRWDZBQOSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000612158644 348497680 /nfs/dbraw/zinc/49/76/80/348497680.db2.gz NQSCQKRHXMDDTK-KRWDZBQOSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000612586575 348531396 /nfs/dbraw/zinc/53/13/96/348531396.db2.gz RUWPBAKSJSVQTK-MRVPVSSYSA-N 1 2 274.698 3.191 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000614402328 348673846 /nfs/dbraw/zinc/67/38/46/348673846.db2.gz UEKPWDXMQQMBQX-FZMZJTMJSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000614402328 348673848 /nfs/dbraw/zinc/67/38/48/348673848.db2.gz UEKPWDXMQQMBQX-FZMZJTMJSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594367 349116146 /nfs/dbraw/zinc/11/61/46/349116146.db2.gz LGCNODUBFHELAY-FZMZJTMJSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594367 349116149 /nfs/dbraw/zinc/11/61/49/349116149.db2.gz LGCNODUBFHELAY-FZMZJTMJSA-N 1 2 298.308 3.018 20 30 CGEDLO CC(C)(C)c1nc(N[C@@H]2CCc3cc(C#N)ccc32)cc[nH+]1 ZINC000618693392 349145502 /nfs/dbraw/zinc/14/55/02/349145502.db2.gz GNBJNWRWBDSDON-OAHLLOKOSA-N 1 2 292.386 3.167 20 30 CGEDLO Cc1[nH]c2ccc(COc3cccc(C#N)c3)cc2[nH+]1 ZINC000358853259 233205016 /nfs/dbraw/zinc/20/50/16/233205016.db2.gz LKZMQJVNWMWNMJ-UHFFFAOYSA-N 1 2 263.300 3.322 20 30 CGEDLO Cc1[nH]c2cc(COc3cccc(C#N)c3)ccc2[nH+]1 ZINC000358853259 233205020 /nfs/dbraw/zinc/20/50/20/233205020.db2.gz LKZMQJVNWMWNMJ-UHFFFAOYSA-N 1 2 263.300 3.322 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000619722344 349278586 /nfs/dbraw/zinc/27/85/86/349278586.db2.gz ONXKVTOGRNYXTQ-OAHLLOKOSA-N 1 2 291.778 3.157 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000619722344 349278588 /nfs/dbraw/zinc/27/85/88/349278588.db2.gz ONXKVTOGRNYXTQ-OAHLLOKOSA-N 1 2 291.778 3.157 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C)o1)Cc1ccccc1F ZINC000628152499 350413571 /nfs/dbraw/zinc/41/35/71/350413571.db2.gz DLLPCIVLXJLYBE-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C)o1)Cc1ccccc1F ZINC000628152499 350413576 /nfs/dbraw/zinc/41/35/76/350413576.db2.gz DLLPCIVLXJLYBE-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO C=CC(C)(C)CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000628317557 350497818 /nfs/dbraw/zinc/49/78/18/350497818.db2.gz OMAYEXDGOUJQAL-UHFFFAOYSA-N 1 2 297.402 3.264 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633196151 351254376 /nfs/dbraw/zinc/25/43/76/351254376.db2.gz DBCUWQJIPUTEJZ-UHFFFAOYSA-N 1 2 283.375 3.409 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000633288245 351275884 /nfs/dbraw/zinc/27/58/84/351275884.db2.gz KYWQOKNZRHNOTD-QWHCGFSZSA-N 1 2 290.411 3.181 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336446589 213310363 /nfs/dbraw/zinc/31/03/63/213310363.db2.gz YCNVPHNDJMWEHA-WPRPVWTQSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000336446589 213310364 /nfs/dbraw/zinc/31/03/64/213310364.db2.gz YCNVPHNDJMWEHA-WPRPVWTQSA-N 1 2 289.326 3.178 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(C4CC4)o3)CC2)c1 ZINC000271758872 191309513 /nfs/dbraw/zinc/30/95/13/191309513.db2.gz HLTAOCIGDBSFOQ-UHFFFAOYSA-N 1 2 279.343 3.203 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000335247749 283098729 /nfs/dbraw/zinc/09/87/29/283098729.db2.gz HZQMMWBXFFJIFP-MSOLQXFVSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000335247749 283098735 /nfs/dbraw/zinc/09/87/35/283098735.db2.gz HZQMMWBXFFJIFP-MSOLQXFVSA-N 1 2 296.345 3.005 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2ccco2)CC1 ZINC000273545925 192196122 /nfs/dbraw/zinc/19/61/22/192196122.db2.gz XYOCMAPVOMJBQL-OAHLLOKOSA-N 1 2 295.386 3.030 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000273545925 192196125 /nfs/dbraw/zinc/19/61/25/192196125.db2.gz XYOCMAPVOMJBQL-OAHLLOKOSA-N 1 2 295.386 3.030 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000124683067 138376781 /nfs/dbraw/zinc/37/67/81/138376781.db2.gz NSWFOTOBQZIZIK-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000124683067 138376782 /nfs/dbraw/zinc/37/67/82/138376782.db2.gz NSWFOTOBQZIZIK-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO Cc1cc(N2CC[C@@H](C)C3(CCC3)C2)c(C#N)c[nH+]1 ZINC000425251549 236223285 /nfs/dbraw/zinc/22/32/85/236223285.db2.gz XYKDMIWZOHYJBC-GFCCVEGCSA-N 1 2 255.365 3.278 20 30 CGEDLO Cc1cc(N[C@H]2C[C@H](c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425258753 236224413 /nfs/dbraw/zinc/22/44/13/236224413.db2.gz KXCQUHXJPXOCRV-MQMHXKEQSA-N 1 2 281.334 3.181 20 30 CGEDLO Cc1cc(NCCC2CC(OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000425259004 236224550 /nfs/dbraw/zinc/22/45/50/236224550.db2.gz LAROAWBKUSTROA-UHFFFAOYSA-N 1 2 287.407 3.079 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1csc(Br)c1 ZINC000042324228 369213802 /nfs/dbraw/zinc/21/38/02/369213802.db2.gz JYFGADNWZAFPMU-MRVPVSSYSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1csc(Br)c1 ZINC000042324228 369213803 /nfs/dbraw/zinc/21/38/03/369213803.db2.gz JYFGADNWZAFPMU-MRVPVSSYSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000042461008 369222315 /nfs/dbraw/zinc/22/23/15/369222315.db2.gz SXYDARIOTJDTRJ-SNVBAGLBSA-N 1 2 272.270 3.177 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000042461008 369222322 /nfs/dbraw/zinc/22/23/22/369222322.db2.gz SXYDARIOTJDTRJ-SNVBAGLBSA-N 1 2 272.270 3.177 20 30 CGEDLO C=CCC[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000276084385 193209173 /nfs/dbraw/zinc/20/91/73/193209173.db2.gz BHMYZKHQYMNTIG-UHFFFAOYSA-N 1 2 279.290 3.023 20 30 CGEDLO C=CCC[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000276084385 193209175 /nfs/dbraw/zinc/20/91/75/193209175.db2.gz BHMYZKHQYMNTIG-UHFFFAOYSA-N 1 2 279.290 3.023 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000276102756 193215291 /nfs/dbraw/zinc/21/52/91/193215291.db2.gz JGHRAOBDPRWLIX-GOSISDBHSA-N 1 2 297.402 3.150 20 30 CGEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063750870 369648437 /nfs/dbraw/zinc/64/84/37/369648437.db2.gz SKUAHOHXNCILKZ-UHFFFAOYSA-N 1 2 288.391 3.110 20 30 CGEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063750870 369648442 /nfs/dbraw/zinc/64/84/42/369648442.db2.gz SKUAHOHXNCILKZ-UHFFFAOYSA-N 1 2 288.391 3.110 20 30 CGEDLO N#CC[N@H+](Cc1ccc2c(c1)CCC2)C1CCCC1 ZINC000070940206 369807512 /nfs/dbraw/zinc/80/75/12/369807512.db2.gz QICIEGAVLJDAIE-UHFFFAOYSA-N 1 2 254.377 3.443 20 30 CGEDLO N#CC[N@@H+](Cc1ccc2c(c1)CCC2)C1CCCC1 ZINC000070940206 369807518 /nfs/dbraw/zinc/80/75/18/369807518.db2.gz QICIEGAVLJDAIE-UHFFFAOYSA-N 1 2 254.377 3.443 20 30 CGEDLO CC[N@@H+](Cc1ncccc1C(F)(F)F)C[C@H](C)C#N ZINC000091982509 370084276 /nfs/dbraw/zinc/08/42/76/370084276.db2.gz AKADZEQJGGVTRV-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1ncccc1C(F)(F)F)C[C@H](C)C#N ZINC000091982509 370084278 /nfs/dbraw/zinc/08/42/78/370084278.db2.gz AKADZEQJGGVTRV-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3cccc(C#N)c3)n2c1 ZINC000132871718 371208791 /nfs/dbraw/zinc/20/87/91/371208791.db2.gz ODLDWICVESBEGC-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000132920431 371212569 /nfs/dbraw/zinc/21/25/69/371212569.db2.gz RPHXIFAEXOAHLO-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO C=CCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000132920431 371212574 /nfs/dbraw/zinc/21/25/74/371212574.db2.gz RPHXIFAEXOAHLO-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO Cc1cccc(CCCNc2cc(C#N)ccc2[N+](=O)[O-])[nH+]1 ZINC000286590926 371523117 /nfs/dbraw/zinc/52/31/17/371523117.db2.gz OCMAFMXMNAFRIG-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C#CC[N@H+](Cc1nc(Cc2ccccc2)no1)C1CCCC1 ZINC000155770674 371943818 /nfs/dbraw/zinc/94/38/18/371943818.db2.gz HIKGFHLVRCYFAJ-UHFFFAOYSA-N 1 2 295.386 3.038 20 30 CGEDLO C#CC[N@@H+](Cc1nc(Cc2ccccc2)no1)C1CCCC1 ZINC000155770674 371943825 /nfs/dbraw/zinc/94/38/25/371943825.db2.gz HIKGFHLVRCYFAJ-UHFFFAOYSA-N 1 2 295.386 3.038 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000157854741 372040201 /nfs/dbraw/zinc/04/02/01/372040201.db2.gz UGRHYGWJPILGNL-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000157854741 372040204 /nfs/dbraw/zinc/04/02/04/372040204.db2.gz UGRHYGWJPILGNL-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc(C)c1Br ZINC000425262181 372117939 /nfs/dbraw/zinc/11/79/39/372117939.db2.gz GIUWXCFLYPVJMY-QWRGUYRKSA-N 1 2 297.196 3.156 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](CCC#N)CC2CC2)o1 ZINC000428239989 372182386 /nfs/dbraw/zinc/18/23/86/372182386.db2.gz AWXLZIQGJQFCPR-UHFFFAOYSA-N 1 2 261.369 3.061 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000428239989 372182392 /nfs/dbraw/zinc/18/23/92/372182392.db2.gz AWXLZIQGJQFCPR-UHFFFAOYSA-N 1 2 261.369 3.061 20 30 CGEDLO C[N@H+](Cc1cccs1)Cc1cccc(F)c1C#N ZINC000428462255 372212369 /nfs/dbraw/zinc/21/23/69/372212369.db2.gz NQRYYQNEKLIEFT-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1cccs1)Cc1cccc(F)c1C#N ZINC000428462255 372212382 /nfs/dbraw/zinc/21/23/82/372212382.db2.gz NQRYYQNEKLIEFT-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000428305326 372183944 /nfs/dbraw/zinc/18/39/44/372183944.db2.gz KAURZMXJBJMOGY-LLVKDONJSA-N 1 2 261.369 3.060 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000428305326 372183952 /nfs/dbraw/zinc/18/39/52/372183952.db2.gz KAURZMXJBJMOGY-LLVKDONJSA-N 1 2 261.369 3.060 20 30 CGEDLO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000430110898 372384850 /nfs/dbraw/zinc/38/48/50/372384850.db2.gz LRZQDKKKTXHPGL-YVMONPNESA-N 1 2 271.320 3.010 20 30 CGEDLO C=CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000430110898 372384861 /nfs/dbraw/zinc/38/48/61/372384861.db2.gz LRZQDKKKTXHPGL-YVMONPNESA-N 1 2 271.320 3.010 20 30 CGEDLO N#CCCC[C@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 ZINC000433020604 372578324 /nfs/dbraw/zinc/57/83/24/372578324.db2.gz OGNDNFJFXBMSKX-HNNXBMFYSA-N 1 2 296.374 3.472 20 30 CGEDLO CC1(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CCC1 ZINC000433207076 372584183 /nfs/dbraw/zinc/58/41/83/372584183.db2.gz JSCPMEPBIUESFM-HOCLYGCPSA-N 1 2 262.397 3.104 20 30 CGEDLO CC1(C[N@H+]2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CCC1 ZINC000433207076 372584186 /nfs/dbraw/zinc/58/41/86/372584186.db2.gz JSCPMEPBIUESFM-HOCLYGCPSA-N 1 2 262.397 3.104 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[N@H+](C)CC(C)(C)C#N ZINC000433306908 372587945 /nfs/dbraw/zinc/58/79/45/372587945.db2.gz UHVZYDWQDDNDFE-NSHDSACASA-N 1 2 257.337 3.370 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CC(C)(C)C#N ZINC000433306908 372587947 /nfs/dbraw/zinc/58/79/47/372587947.db2.gz UHVZYDWQDDNDFE-NSHDSACASA-N 1 2 257.337 3.370 20 30 CGEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000294218273 372617682 /nfs/dbraw/zinc/61/76/82/372617682.db2.gz SDWZTQGJNWRZSW-SFHVURJKSA-N 1 2 293.414 3.482 20 30 CGEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000294218273 372617690 /nfs/dbraw/zinc/61/76/90/372617690.db2.gz SDWZTQGJNWRZSW-SFHVURJKSA-N 1 2 293.414 3.482 20 30 CGEDLO C=CCCCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294356454 372652000 /nfs/dbraw/zinc/65/20/00/372652000.db2.gz XUILBKKGVXDTBU-INIZCTEOSA-N 1 2 283.375 3.314 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000439448037 372976360 /nfs/dbraw/zinc/97/63/60/372976360.db2.gz ZGNGBVUNSQOKKG-HIFRSBDPSA-N 1 2 270.380 3.229 20 30 CGEDLO C=CCN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441342773 373002440 /nfs/dbraw/zinc/00/24/40/373002440.db2.gz FASROURGSJKUFO-ZDUSSCGKSA-N 1 2 264.800 3.205 20 30 CGEDLO C=CC[C@@H](CC)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000440650425 372990117 /nfs/dbraw/zinc/99/01/17/372990117.db2.gz SKRDIUJLFZYPEO-CQSZACIVSA-N 1 2 268.364 3.036 20 30 CGEDLO CC[C@](C)([NH2+]Cc1ccccc1C#N)c1nccs1 ZINC000173506230 373148225 /nfs/dbraw/zinc/14/82/25/373148225.db2.gz PKPMIAQZIDEHGI-HNNXBMFYSA-N 1 2 271.389 3.430 20 30 CGEDLO CCOC(=O)CCCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444739112 373256620 /nfs/dbraw/zinc/25/66/20/373256620.db2.gz UODUJUQHNGHHDS-CQSZACIVSA-N 1 2 280.412 3.124 20 30 CGEDLO CCOC(=O)CCCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444739112 373256624 /nfs/dbraw/zinc/25/66/24/373256624.db2.gz UODUJUQHNGHHDS-CQSZACIVSA-N 1 2 280.412 3.124 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nc(C)cs1 ZINC000174359522 373299192 /nfs/dbraw/zinc/29/91/92/373299192.db2.gz HEQZUIYGDDJOHT-GFCCVEGCSA-N 1 2 261.350 3.157 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nccs1 ZINC000175100209 373408372 /nfs/dbraw/zinc/40/83/72/373408372.db2.gz MBQAKFPXBSOEOL-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nccs1 ZINC000175100209 373408373 /nfs/dbraw/zinc/40/83/73/373408373.db2.gz MBQAKFPXBSOEOL-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000175322921 373449950 /nfs/dbraw/zinc/44/99/50/373449950.db2.gz CVWJICQVQMAUDM-OAHLLOKOSA-N 1 2 294.358 3.150 20 30 CGEDLO COc1cc(C[N@H+](C)Cc2ccccc2C#N)cc(OC)c1 ZINC000299151246 373472485 /nfs/dbraw/zinc/47/24/85/373472485.db2.gz YMHJVIJYFPUBLF-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO COc1cc(C[N@@H+](C)Cc2ccccc2C#N)cc(OC)c1 ZINC000299151246 373472490 /nfs/dbraw/zinc/47/24/90/373472490.db2.gz YMHJVIJYFPUBLF-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO N#Cc1c(F)cccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000301143494 373675499 /nfs/dbraw/zinc/67/54/99/373675499.db2.gz JTPYBCILHLXUHQ-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(=O)OCC ZINC000449657207 373837792 /nfs/dbraw/zinc/83/77/92/373837792.db2.gz OAZNLHFBHNGIHO-INIZCTEOSA-N 1 2 286.375 3.155 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)s1 ZINC000179935981 373941504 /nfs/dbraw/zinc/94/15/04/373941504.db2.gz TZCKACOOTUJQRU-UHFFFAOYSA-N 1 2 276.405 3.155 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)s1 ZINC000179935981 373941511 /nfs/dbraw/zinc/94/15/11/373941511.db2.gz TZCKACOOTUJQRU-UHFFFAOYSA-N 1 2 276.405 3.155 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1sccc1Br ZINC000309583600 374188582 /nfs/dbraw/zinc/18/85/82/374188582.db2.gz UOBQYFJDOVBWSM-SECBINFHSA-N 1 2 298.209 3.044 20 30 CGEDLO COc1ccccc1CCC[N@H+](CC#N)C1CCCC1 ZINC000182498205 374282185 /nfs/dbraw/zinc/28/21/85/374282185.db2.gz ZJBOXQHXICLXRB-UHFFFAOYSA-N 1 2 272.392 3.396 20 30 CGEDLO COc1ccccc1CCC[N@@H+](CC#N)C1CCCC1 ZINC000182498205 374282199 /nfs/dbraw/zinc/28/21/99/374282199.db2.gz ZJBOXQHXICLXRB-UHFFFAOYSA-N 1 2 272.392 3.396 20 30 CGEDLO C=CCC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1CC1 ZINC000182877884 374337055 /nfs/dbraw/zinc/33/70/55/374337055.db2.gz AXOSMDREOPKBCN-MRXNPFEDSA-N 1 2 287.407 3.075 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000319282870 374345934 /nfs/dbraw/zinc/34/59/34/374345934.db2.gz GKADALUYVNULTH-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000319282870 374345936 /nfs/dbraw/zinc/34/59/36/374345936.db2.gz GKADALUYVNULTH-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO Cc1cccn2cc(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)[nH+]c12 ZINC000328963317 374396813 /nfs/dbraw/zinc/39/68/13/374396813.db2.gz QZQDOCQUARDKMR-CHWSQXEVSA-N 1 2 299.374 3.105 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)n1 ZINC000184216507 374504390 /nfs/dbraw/zinc/50/43/90/374504390.db2.gz ZQSACBHGYZKTBC-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO Cc1ccc(CSc2nc(C)nc(C)c2C#N)c(C)[nH+]1 ZINC000186572645 374879095 /nfs/dbraw/zinc/87/90/95/374879095.db2.gz JKKRZPMJHUMEMP-UHFFFAOYSA-N 1 2 284.388 3.269 20 30 CGEDLO C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187067741 374965851 /nfs/dbraw/zinc/96/58/51/374965851.db2.gz HDHHLRKPJRPGMC-JTQLQIEISA-N 1 2 266.797 3.149 20 30 CGEDLO C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187067741 374965856 /nfs/dbraw/zinc/96/58/56/374965856.db2.gz HDHHLRKPJRPGMC-JTQLQIEISA-N 1 2 266.797 3.149 20 30 CGEDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187458823 375025463 /nfs/dbraw/zinc/02/54/63/375025463.db2.gz XJFZGGPXWIUHBF-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187458823 375025472 /nfs/dbraw/zinc/02/54/72/375025472.db2.gz XJFZGGPXWIUHBF-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO Cc1cc(N2CCC(CC(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000335112112 375140754 /nfs/dbraw/zinc/14/07/54/375140754.db2.gz SCAIGBFNKYJOJM-UHFFFAOYSA-N 1 2 283.297 3.431 20 30 CGEDLO C[C@@H]1C[N@H+](CCSc2ccc(C#N)cc2Cl)CCO1 ZINC000188324198 375196951 /nfs/dbraw/zinc/19/69/51/375196951.db2.gz VRFZPLNXBBRQGX-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1C[N@@H+](CCSc2ccc(C#N)cc2Cl)CCO1 ZINC000188324198 375196956 /nfs/dbraw/zinc/19/69/56/375196956.db2.gz VRFZPLNXBBRQGX-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO Cn1cc[nH+]c1[C@H]1N(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000335174896 375200417 /nfs/dbraw/zinc/20/04/17/375200417.db2.gz JGFCPLSEQMKOFF-OAHLLOKOSA-N 1 2 298.365 3.014 20 30 CGEDLO C=CC1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000335589114 375333765 /nfs/dbraw/zinc/33/37/65/375333765.db2.gz MMLRQFROEROCBU-UHFFFAOYSA-N 1 2 273.380 3.437 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1cccc(C#N)c1 ZINC000190774036 375537482 /nfs/dbraw/zinc/53/74/82/375537482.db2.gz WYKDJZKRANOYNO-UHFFFAOYSA-N 1 2 252.317 3.403 20 30 CGEDLO CCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1F ZINC000494944995 375494894 /nfs/dbraw/zinc/49/48/94/375494894.db2.gz FEDSDUYATBSXGM-LBPRGKRZSA-N 1 2 276.355 3.348 20 30 CGEDLO CCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1F ZINC000494944995 375494899 /nfs/dbraw/zinc/49/48/99/375494899.db2.gz FEDSDUYATBSXGM-LBPRGKRZSA-N 1 2 276.355 3.348 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000191889471 375672902 /nfs/dbraw/zinc/67/29/02/375672902.db2.gz YDLDXQANJHORJM-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000191889471 375672905 /nfs/dbraw/zinc/67/29/05/375672905.db2.gz YDLDXQANJHORJM-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000192227090 375714197 /nfs/dbraw/zinc/71/41/97/375714197.db2.gz VIXINJSJZIHCOE-ZIAGYGMSSA-N 1 2 272.392 3.092 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000192227090 375714204 /nfs/dbraw/zinc/71/42/04/375714204.db2.gz VIXINJSJZIHCOE-ZIAGYGMSSA-N 1 2 272.392 3.092 20 30 CGEDLO C=CCCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000520728532 375872457 /nfs/dbraw/zinc/87/24/57/375872457.db2.gz YDNMFUUNTWOXAW-HZPDHXFCSA-N 1 2 262.397 3.270 20 30 CGEDLO C=CCCCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000520728532 375872464 /nfs/dbraw/zinc/87/24/64/375872464.db2.gz YDNMFUUNTWOXAW-HZPDHXFCSA-N 1 2 262.397 3.270 20 30 CGEDLO CCc1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000535046067 376014406 /nfs/dbraw/zinc/01/44/06/376014406.db2.gz GYTJSVDVUBNANH-UHFFFAOYSA-N 1 2 293.370 3.398 20 30 CGEDLO CCc1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000535046067 376014413 /nfs/dbraw/zinc/01/44/13/376014413.db2.gz GYTJSVDVUBNANH-UHFFFAOYSA-N 1 2 293.370 3.398 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](CCC#N)C(C)C)s1 ZINC000535786355 376061073 /nfs/dbraw/zinc/06/10/73/376061073.db2.gz BBPGQUMAPVDAIC-UHFFFAOYSA-N 1 2 251.399 3.391 20 30 CGEDLO CC(C)c1ncc(C[N@H+](CCC#N)C(C)C)s1 ZINC000535786355 376061079 /nfs/dbraw/zinc/06/10/79/376061079.db2.gz BBPGQUMAPVDAIC-UHFFFAOYSA-N 1 2 251.399 3.391 20 30 CGEDLO CC(C)COc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000338919510 376575636 /nfs/dbraw/zinc/57/56/36/376575636.db2.gz VTSSRUXPFPWCSQ-CQSZACIVSA-N 1 2 260.381 3.313 20 30 CGEDLO CC(C)COc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000338919510 376575645 /nfs/dbraw/zinc/57/56/45/376575645.db2.gz VTSSRUXPFPWCSQ-CQSZACIVSA-N 1 2 260.381 3.313 20 30 CGEDLO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339175545 376727799 /nfs/dbraw/zinc/72/77/99/376727799.db2.gz WDULMVDPABHCME-CYBMUJFWSA-N 1 2 294.196 3.285 20 30 CGEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339175545 376727803 /nfs/dbraw/zinc/72/78/03/376727803.db2.gz WDULMVDPABHCME-CYBMUJFWSA-N 1 2 294.196 3.285 20 30 CGEDLO N#CCCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339175546 376728061 /nfs/dbraw/zinc/72/80/61/376728061.db2.gz WDULMVDPABHCME-ZDUSSCGKSA-N 1 2 294.196 3.285 20 30 CGEDLO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339175546 376728063 /nfs/dbraw/zinc/72/80/63/376728063.db2.gz WDULMVDPABHCME-ZDUSSCGKSA-N 1 2 294.196 3.285 20 30 CGEDLO N#CCCCOc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000339138876 376704879 /nfs/dbraw/zinc/70/48/79/376704879.db2.gz ZSZCJWMVNLGKFH-UHFFFAOYSA-N 1 2 293.330 3.384 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340957357 377336011 /nfs/dbraw/zinc/33/60/11/377336011.db2.gz VMJVCNNNZCZXDE-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340957357 377336018 /nfs/dbraw/zinc/33/60/18/377336018.db2.gz VMJVCNNNZCZXDE-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO CCc1cc(Nc2cccc(CC#N)c2)nc(C)[nH+]1 ZINC000565286858 377484806 /nfs/dbraw/zinc/48/48/06/377484806.db2.gz ZJGCEVQFHCOBTF-UHFFFAOYSA-N 1 2 252.321 3.157 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000249284429 377486731 /nfs/dbraw/zinc/48/67/31/377486731.db2.gz OTIGPIRBKSAGPF-CXAGYDPISA-N 1 2 282.343 3.286 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000249284429 377486736 /nfs/dbraw/zinc/48/67/36/377486736.db2.gz OTIGPIRBKSAGPF-CXAGYDPISA-N 1 2 282.343 3.286 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Br)cc(F)c1F ZINC000566301314 377495695 /nfs/dbraw/zinc/49/56/95/377495695.db2.gz MRWBAIGTTZWADT-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Br)cc(F)c1F ZINC000566301314 377495701 /nfs/dbraw/zinc/49/57/01/377495701.db2.gz MRWBAIGTTZWADT-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO C=CC[C@@H]1N(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC000568633773 377521987 /nfs/dbraw/zinc/52/19/87/377521987.db2.gz LZNBXDVTHSAMMR-CABCVRRESA-N 1 2 289.423 3.428 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000342579740 377671902 /nfs/dbraw/zinc/67/19/02/377671902.db2.gz QIFFCEQHIFMQDN-LBPRGKRZSA-N 1 2 278.783 3.341 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000342770154 377778960 /nfs/dbraw/zinc/77/89/60/377778960.db2.gz WGQBTHWCOHEQPN-UHFFFAOYSA-N 1 2 290.260 3.364 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575062847 377744003 /nfs/dbraw/zinc/74/40/03/377744003.db2.gz BBPZIKOQLYQBCV-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575062847 377744009 /nfs/dbraw/zinc/74/40/09/377744009.db2.gz BBPZIKOQLYQBCV-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO C=CCOc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000343235807 377936187 /nfs/dbraw/zinc/93/61/87/377936187.db2.gz RWIIINITBWSDMW-UHFFFAOYSA-N 1 2 295.386 3.261 20 30 CGEDLO CC(C)CN(CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000343300510 377948738 /nfs/dbraw/zinc/94/87/38/377948738.db2.gz HRTNLXJHMQXURM-UHFFFAOYSA-N 1 2 282.391 3.307 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000264435876 377985422 /nfs/dbraw/zinc/98/54/22/377985422.db2.gz DNBSTUAJHFFWSY-UHFFFAOYSA-N 1 2 288.376 3.004 20 30 CGEDLO C[C@@H](C#N)CSc1ccccc1NCc1c[nH+]cn1C ZINC000268477695 378065282 /nfs/dbraw/zinc/06/52/82/378065282.db2.gz RLGPSPVHCFDGBV-LBPRGKRZSA-N 1 2 286.404 3.284 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1F ZINC000584035562 378368885 /nfs/dbraw/zinc/36/88/85/378368885.db2.gz KDHTWKSMHJOYEN-JRPNMDOOSA-N 1 2 284.338 3.250 20 30 CGEDLO Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C#N)cc3F)nc21 ZINC000345843585 378384362 /nfs/dbraw/zinc/38/43/62/378384362.db2.gz WKZCLACTIHAITN-UHFFFAOYSA-N 1 2 294.333 3.172 20 30 CGEDLO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)cc3F)[nH]c21 ZINC000345843585 378384366 /nfs/dbraw/zinc/38/43/66/378384366.db2.gz WKZCLACTIHAITN-UHFFFAOYSA-N 1 2 294.333 3.172 20 30 CGEDLO COC(=O)c1coc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000271775584 378504578 /nfs/dbraw/zinc/50/45/78/378504578.db2.gz JVVFXCMLCRDACN-MRXNPFEDSA-N 1 2 298.342 3.201 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272192364 378581810 /nfs/dbraw/zinc/58/18/10/378581810.db2.gz BRSLMTPTJDRYQF-UHFFFAOYSA-N 1 2 298.390 3.086 20 30 CGEDLO Cc1nc(NCCSCc2ccccc2C#N)cc[nH+]1 ZINC000266125866 190232415 /nfs/dbraw/zinc/23/24/15/190232415.db2.gz BNDYHMPLOWWORU-UHFFFAOYSA-N 1 2 284.388 3.002 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)C1CC1 ZINC000274025569 378765683 /nfs/dbraw/zinc/76/56/83/378765683.db2.gz CQIYQFOELYRXGL-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2ccccc2)oc1C)C1CC1 ZINC000274025569 378765684 /nfs/dbraw/zinc/76/56/84/378765684.db2.gz CQIYQFOELYRXGL-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO Cc1nc(C2([NH2+]CC#Cc3ccccc3)CCCCC2)no1 ZINC000277034922 379049520 /nfs/dbraw/zinc/04/95/20/379049520.db2.gz SKBJVUFDPAJGNW-UHFFFAOYSA-N 1 2 295.386 3.179 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)no1 ZINC000371395072 379155226 /nfs/dbraw/zinc/15/52/26/379155226.db2.gz DDJWVTIHNMIUDI-AWEZNQCLSA-N 1 2 273.361 3.253 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)no1 ZINC000371395072 379155232 /nfs/dbraw/zinc/15/52/32/379155232.db2.gz DDJWVTIHNMIUDI-AWEZNQCLSA-N 1 2 273.361 3.253 20 30 CGEDLO C[C@H](CC1CCOCC1)C[N@H+](CCC#N)Cc1ccco1 ZINC000349857085 379423749 /nfs/dbraw/zinc/42/37/49/379423749.db2.gz JGYFGJCBRQAFGH-OAHLLOKOSA-N 1 2 290.407 3.448 20 30 CGEDLO C[C@H](CC1CCOCC1)C[N@@H+](CCC#N)Cc1ccco1 ZINC000349857085 379423756 /nfs/dbraw/zinc/42/37/56/379423756.db2.gz JGYFGJCBRQAFGH-OAHLLOKOSA-N 1 2 290.407 3.448 20 30 CGEDLO C=CCCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000280260137 379659051 /nfs/dbraw/zinc/65/90/51/379659051.db2.gz ZVBFEUJOWFNOOX-UHFFFAOYSA-N 1 2 284.363 3.175 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351856096 379746092 /nfs/dbraw/zinc/74/60/92/379746092.db2.gz HFWZPAKPMWTECT-UHFFFAOYSA-N 1 2 270.279 3.271 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351856096 379746095 /nfs/dbraw/zinc/74/60/95/379746095.db2.gz HFWZPAKPMWTECT-UHFFFAOYSA-N 1 2 270.279 3.271 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)c(F)c1 ZINC000377593115 379702773 /nfs/dbraw/zinc/70/27/73/379702773.db2.gz QGSNADVYEWJLNM-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)c(F)c1 ZINC000377593115 379702777 /nfs/dbraw/zinc/70/27/77/379702777.db2.gz QGSNADVYEWJLNM-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451415 379820695 /nfs/dbraw/zinc/82/06/95/379820695.db2.gz WQWBYKJKBVWDTB-NSHDSACASA-N 1 2 273.311 3.216 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccccc2C(F)(F)F)n1 ZINC000352832273 379989660 /nfs/dbraw/zinc/98/96/60/379989660.db2.gz FBOMHAOQGNABRI-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccnc1 ZINC000352953638 380054390 /nfs/dbraw/zinc/05/43/90/380054390.db2.gz RQXBQYTVSVYHNF-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccnc1 ZINC000352953638 380054398 /nfs/dbraw/zinc/05/43/98/380054398.db2.gz RQXBQYTVSVYHNF-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C)cn1 ZINC000352953617 380054980 /nfs/dbraw/zinc/05/49/80/380054980.db2.gz RJMRPOXRHKFHCN-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C)cn1 ZINC000352953617 380054982 /nfs/dbraw/zinc/05/49/82/380054982.db2.gz RJMRPOXRHKFHCN-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C[C@H](CCC#N)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000411535364 380149363 /nfs/dbraw/zinc/14/93/63/380149363.db2.gz PZNFELFALBTJAQ-NEPJUHHUSA-N 1 2 276.384 3.460 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000414405051 380224692 /nfs/dbraw/zinc/22/46/92/380224692.db2.gz ISGQXIMUGAJPCO-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1 ZINC000414405051 380224697 /nfs/dbraw/zinc/22/46/97/380224697.db2.gz ISGQXIMUGAJPCO-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000354044175 380297866 /nfs/dbraw/zinc/29/78/66/380297866.db2.gz GNUUIBLDUXPADV-LBPRGKRZSA-N 1 2 298.365 3.340 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000354044175 380297872 /nfs/dbraw/zinc/29/78/72/380297872.db2.gz GNUUIBLDUXPADV-LBPRGKRZSA-N 1 2 298.365 3.340 20 30 CGEDLO C=CCOCCSCc1[nH+]ccn1Cc1ccccc1 ZINC000419424272 380829365 /nfs/dbraw/zinc/82/93/65/380829365.db2.gz SVUAOZSJJOLJKJ-UHFFFAOYSA-N 1 2 288.416 3.367 20 30 CGEDLO C=C(CC)C[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000358495176 381311586 /nfs/dbraw/zinc/31/15/86/381311586.db2.gz HKUFGXZCYZMHQT-NSHDSACASA-N 1 2 269.414 3.282 20 30 CGEDLO C=C(CC)C[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000358495176 381311594 /nfs/dbraw/zinc/31/15/94/381311594.db2.gz HKUFGXZCYZMHQT-NSHDSACASA-N 1 2 269.414 3.282 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000359872116 381378887 /nfs/dbraw/zinc/37/88/87/381378887.db2.gz ISIKAINYKPICAC-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000359872116 381378890 /nfs/dbraw/zinc/37/88/90/381378890.db2.gz ISIKAINYKPICAC-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO N#CCC[N@@H+](Cc1cncc(C(F)(F)F)c1)CC1CC1 ZINC000361308776 381690035 /nfs/dbraw/zinc/69/00/35/381690035.db2.gz MNDRCJBWRVZMOQ-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC[N@H+](Cc1cncc(C(F)(F)F)c1)CC1CC1 ZINC000361308776 381690039 /nfs/dbraw/zinc/69/00/39/381690039.db2.gz MNDRCJBWRVZMOQ-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000361383938 381724086 /nfs/dbraw/zinc/72/40/86/381724086.db2.gz AVRACNVNNZXYGZ-AWEZNQCLSA-N 1 2 297.383 3.005 20 30 CGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000361383938 381724091 /nfs/dbraw/zinc/72/40/91/381724091.db2.gz AVRACNVNNZXYGZ-AWEZNQCLSA-N 1 2 297.383 3.005 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000362281513 381929394 /nfs/dbraw/zinc/92/93/94/381929394.db2.gz CFFZSTKRUAHCMX-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362281513 381929402 /nfs/dbraw/zinc/92/94/02/381929402.db2.gz CFFZSTKRUAHCMX-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366072713 382302197 /nfs/dbraw/zinc/30/21/97/382302197.db2.gz KZIOBBLDWAWHDP-HOCLYGCPSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366072713 382302203 /nfs/dbraw/zinc/30/22/03/382302203.db2.gz KZIOBBLDWAWHDP-HOCLYGCPSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366072703 382302603 /nfs/dbraw/zinc/30/26/03/382302603.db2.gz KZIOBBLDWAWHDP-GDBMZVCRSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366072703 382302611 /nfs/dbraw/zinc/30/26/11/382302611.db2.gz KZIOBBLDWAWHDP-GDBMZVCRSA-N 1 2 264.413 3.350 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000491780171 262039220 /nfs/dbraw/zinc/03/92/20/262039220.db2.gz LGNJBIAARHUZSC-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO CC1(C)CCC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329726459 542448358 /nfs/dbraw/zinc/44/83/58/542448358.db2.gz CESAZJFZPLZRGR-LBPRGKRZSA-N 1 2 272.352 3.048 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000281402405 195226312 /nfs/dbraw/zinc/22/63/12/195226312.db2.gz XOQOAVYEBOCPRW-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000281402405 195226313 /nfs/dbraw/zinc/22/63/13/195226313.db2.gz XOQOAVYEBOCPRW-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000194486415 262238185 /nfs/dbraw/zinc/23/81/85/262238185.db2.gz SGIGSADXLQYTDJ-SNVBAGLBSA-N 1 2 261.350 3.185 20 30 CGEDLO COc1ccc(C#N)cc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000163409870 533271481 /nfs/dbraw/zinc/27/14/81/533271481.db2.gz LRZPHKICTWRDCX-UHFFFAOYSA-N 1 2 299.280 3.243 20 30 CGEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1c(F)cccc1F ZINC000191305829 130218762 /nfs/dbraw/zinc/21/87/62/130218762.db2.gz UZGGHMGBZWXTLM-UHFFFAOYSA-N 1 2 289.329 3.197 20 30 CGEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1c(F)cccc1F ZINC000191305829 130218764 /nfs/dbraw/zinc/21/87/64/130218764.db2.gz UZGGHMGBZWXTLM-UHFFFAOYSA-N 1 2 289.329 3.197 20 30 CGEDLO Cc1ccc(O)c(C[N@H+](CCC#N)Cc2ccccn2)c1 ZINC000093100651 392234408 /nfs/dbraw/zinc/23/44/08/392234408.db2.gz RNAOKTFWKAOEEH-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)Cc2ccccn2)c1 ZINC000093100651 392234410 /nfs/dbraw/zinc/23/44/10/392234410.db2.gz RNAOKTFWKAOEEH-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000093090456 392234796 /nfs/dbraw/zinc/23/47/96/392234796.db2.gz RGTBHPGBXZNNLN-SECBINFHSA-N 1 2 272.270 3.161 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000093090456 392234799 /nfs/dbraw/zinc/23/47/99/392234799.db2.gz RGTBHPGBXZNNLN-SECBINFHSA-N 1 2 272.270 3.161 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000093101272 392235634 /nfs/dbraw/zinc/23/56/34/392235634.db2.gz DJFWQFOFBVHOMC-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000093101272 392235639 /nfs/dbraw/zinc/23/56/39/392235639.db2.gz DJFWQFOFBVHOMC-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)o1 ZINC000361238957 392261236 /nfs/dbraw/zinc/26/12/36/392261236.db2.gz WJKUOEZWZHCPEA-CYBMUJFWSA-N 1 2 290.269 3.043 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(C)s1)Cc1ccccc1 ZINC000285740254 392328510 /nfs/dbraw/zinc/32/85/10/392328510.db2.gz QHLQBJQMTWIXIG-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO C#CC[N@H+](Cc1cnc(C)s1)Cc1ccccc1 ZINC000285740254 392328515 /nfs/dbraw/zinc/32/85/15/392328515.db2.gz QHLQBJQMTWIXIG-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO C=C(C)C[C@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000289311923 392419311 /nfs/dbraw/zinc/41/93/11/392419311.db2.gz XNAWPFDIRGYDGC-MELADBBJSA-N 1 2 291.395 3.065 20 30 CGEDLO C=C(C)C[C@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000289311923 392419318 /nfs/dbraw/zinc/41/93/18/392419318.db2.gz XNAWPFDIRGYDGC-MELADBBJSA-N 1 2 291.395 3.065 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000120658742 392401496 /nfs/dbraw/zinc/40/14/96/392401496.db2.gz DGEMBLVVGKEWFL-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000120658742 392401502 /nfs/dbraw/zinc/40/15/02/392401502.db2.gz DGEMBLVVGKEWFL-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C#N)cc1F ZINC000173548310 392627446 /nfs/dbraw/zinc/62/74/46/392627446.db2.gz MOTIDHDHRAKKDY-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1F ZINC000173548310 392627450 /nfs/dbraw/zinc/62/74/50/392627450.db2.gz MOTIDHDHRAKKDY-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCc2ccccc21 ZINC000329646379 392690600 /nfs/dbraw/zinc/69/06/00/392690600.db2.gz DOTQOHCNZOHYQJ-UKRRQHHQSA-N 1 2 295.386 3.344 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCc2ccccc21 ZINC000329646379 392690608 /nfs/dbraw/zinc/69/06/08/392690608.db2.gz DOTQOHCNZOHYQJ-UKRRQHHQSA-N 1 2 295.386 3.344 20 30 CGEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000181326202 392727858 /nfs/dbraw/zinc/72/78/58/392727858.db2.gz ALIUSZHFSHDHND-UHFFFAOYSA-N 1 2 289.404 3.051 20 30 CGEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000181326202 392727866 /nfs/dbraw/zinc/72/78/66/392727866.db2.gz ALIUSZHFSHDHND-UHFFFAOYSA-N 1 2 289.404 3.051 20 30 CGEDLO COc1cc(OCc2ccc(C)[nH+]c2C)ccc1C#N ZINC000194505557 392925470 /nfs/dbraw/zinc/92/54/70/392925470.db2.gz ILRHXDVGRRSUBX-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO C=CCOCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000338994804 392939358 /nfs/dbraw/zinc/93/93/58/392939358.db2.gz IQOOLTVAIFHTJZ-BBRMVZONSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000338994804 392939363 /nfs/dbraw/zinc/93/93/63/392939363.db2.gz IQOOLTVAIFHTJZ-BBRMVZONSA-N 1 2 295.810 3.304 20 30 CGEDLO N#CC1(F)CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000348712197 393128666 /nfs/dbraw/zinc/12/86/66/393128666.db2.gz ULCGUSAREVNRMK-OWOJBTEDSA-N 1 2 280.293 3.306 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000348712186 393128877 /nfs/dbraw/zinc/12/88/77/393128877.db2.gz UEIRVEOYEGPDJT-UHFFFAOYSA-N 1 2 293.342 3.263 20 30 CGEDLO N#Cc1cnccc1/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000349112731 393137730 /nfs/dbraw/zinc/13/77/30/393137730.db2.gz POCAIWKXXRBNQJ-OWOJBTEDSA-N 1 2 278.340 3.371 20 30 CGEDLO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC000418110652 393361716 /nfs/dbraw/zinc/36/17/16/393361716.db2.gz FMCLUMWCQMMCQF-YESZJQIVSA-N 1 2 287.403 3.278 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)C[C@H](CC)O1 ZINC000420964281 393562065 /nfs/dbraw/zinc/56/20/65/393562065.db2.gz WNXDTHGYHWRLHV-OKILXGFUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C[C@H](CC)O1 ZINC000420964281 393562068 /nfs/dbraw/zinc/56/20/68/393562068.db2.gz WNXDTHGYHWRLHV-OKILXGFUSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3C#N)cc2[nH+]1 ZINC000490003280 393625577 /nfs/dbraw/zinc/62/55/77/393625577.db2.gz YUADPLSVZZYTQS-UHFFFAOYSA-N 1 2 294.289 3.134 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3cccc(F)c3C#N)ccc2[nH+]1 ZINC000490003280 393625580 /nfs/dbraw/zinc/62/55/80/393625580.db2.gz YUADPLSVZZYTQS-UHFFFAOYSA-N 1 2 294.289 3.134 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000443067137 393741952 /nfs/dbraw/zinc/74/19/52/393741952.db2.gz SSCDVXRKNOSYND-UHFFFAOYSA-N 1 2 286.404 3.165 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)s2)cn1 ZINC000443067137 393741958 /nfs/dbraw/zinc/74/19/58/393741958.db2.gz SSCDVXRKNOSYND-UHFFFAOYSA-N 1 2 286.404 3.165 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)[nH]1 ZINC000443997269 393781351 /nfs/dbraw/zinc/78/13/51/393781351.db2.gz MECWHRPFBMNJNK-DGCLKSJQSA-N 1 2 297.406 3.349 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000667029215 542838338 /nfs/dbraw/zinc/83/83/38/542838338.db2.gz UUHNOFWJRONYCV-UHFFFAOYSA-N 1 2 284.363 3.192 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000667029215 542838341 /nfs/dbraw/zinc/83/83/41/542838341.db2.gz UUHNOFWJRONYCV-UHFFFAOYSA-N 1 2 284.363 3.192 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000669729041 543123406 /nfs/dbraw/zinc/12/34/06/543123406.db2.gz KFEYKBQPALKBAD-HNNXBMFYSA-N 1 2 295.386 3.203 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000352792782 292326287 /nfs/dbraw/zinc/32/62/87/292326287.db2.gz NECPOOBMCJACHQ-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1F)CCO2 ZINC000352792782 292326289 /nfs/dbraw/zinc/32/62/89/292326289.db2.gz NECPOOBMCJACHQ-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000070791390 165064155 /nfs/dbraw/zinc/06/41/55/165064155.db2.gz FVOKRYUIFUBJQW-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)no1 ZINC000284316778 196028681 /nfs/dbraw/zinc/02/86/81/196028681.db2.gz WDNHEOHCQFJZRK-GFCCVEGCSA-N 1 2 267.332 3.195 20 30 CGEDLO C=CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000072205699 176342512 /nfs/dbraw/zinc/34/25/12/176342512.db2.gz IMLNYSNCMZUQHB-GFCCVEGCSA-N 1 2 282.457 3.369 20 30 CGEDLO C=C(C)COCCNc1cc[nH+]c2c(OC)cccc12 ZINC000302562882 416526741 /nfs/dbraw/zinc/52/67/41/416526741.db2.gz VAWLZCIAKYDWRK-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO CC#CCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684208618 543972767 /nfs/dbraw/zinc/97/27/67/543972767.db2.gz PCTFCNDZYGAHGM-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO CC#CCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684208618 543972770 /nfs/dbraw/zinc/97/27/70/543972770.db2.gz PCTFCNDZYGAHGM-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347763901 226241165 /nfs/dbraw/zinc/24/11/65/226241165.db2.gz ARMXVGJCRVHNOY-BYCRGOAPSA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347763901 226241168 /nfs/dbraw/zinc/24/11/68/226241168.db2.gz ARMXVGJCRVHNOY-BYCRGOAPSA-N 1 2 250.292 3.212 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccco1 ZINC000658336256 418942139 /nfs/dbraw/zinc/94/21/39/418942139.db2.gz QAHZDNQZYDBVNJ-QWHCGFSZSA-N 1 2 259.353 3.371 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000655054943 419017415 /nfs/dbraw/zinc/01/74/15/419017415.db2.gz PZBKHIHKAFIFKF-CYBMUJFWSA-N 1 2 283.375 3.346 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000655054943 419017421 /nfs/dbraw/zinc/01/74/21/419017421.db2.gz PZBKHIHKAFIFKF-CYBMUJFWSA-N 1 2 283.375 3.346 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)nn1 ZINC000653494151 419038334 /nfs/dbraw/zinc/03/83/34/419038334.db2.gz RKMPFFOYYDWSQF-OAHLLOKOSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)nn1 ZINC000653494151 419038338 /nfs/dbraw/zinc/03/83/38/419038338.db2.gz RKMPFFOYYDWSQF-OAHLLOKOSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cccc(C)c2C)nn1 ZINC000653693864 419072560 /nfs/dbraw/zinc/07/25/60/419072560.db2.gz SCJNWMZWVWROFR-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2cccc(C)c2C)nn1 ZINC000653693864 419072565 /nfs/dbraw/zinc/07/25/65/419072565.db2.gz SCJNWMZWVWROFR-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)[nH+]c1C ZINC000666314988 419207904 /nfs/dbraw/zinc/20/79/04/419207904.db2.gz PQMLGHLEPZSENG-OKILXGFUSA-N 1 2 271.364 3.413 20 30 CGEDLO C[C@]1(C2CC2)C[N@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000661169514 419237958 /nfs/dbraw/zinc/23/79/58/419237958.db2.gz VFBFOSXGOOCOIH-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@]1(C2CC2)C[N@@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000661169514 419237960 /nfs/dbraw/zinc/23/79/60/419237960.db2.gz VFBFOSXGOOCOIH-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C=CCC[N@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661731887 419291278 /nfs/dbraw/zinc/29/12/78/419291278.db2.gz XWBHCAXDLKXTNT-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCC[N@@H+]1CCOC[C@H]1c1cccc(Br)c1 ZINC000661731887 419291280 /nfs/dbraw/zinc/29/12/80/419291280.db2.gz XWBHCAXDLKXTNT-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000353459494 228105676 /nfs/dbraw/zinc/10/56/76/228105676.db2.gz IBPMAOZUSKABGS-UHFFFAOYSA-N 1 2 299.349 3.093 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(CCCC)n1 ZINC000662078774 419333404 /nfs/dbraw/zinc/33/34/04/419333404.db2.gz GFFJJTQXDMCVPC-BETUJISGSA-N 1 2 261.369 3.095 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(CCCC)n1 ZINC000662078774 419333406 /nfs/dbraw/zinc/33/34/06/419333406.db2.gz GFFJJTQXDMCVPC-BETUJISGSA-N 1 2 261.369 3.095 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@@H+](C)C[C@@H](C)C#N)s2)o1 ZINC000352092820 228181480 /nfs/dbraw/zinc/18/14/80/228181480.db2.gz YOBXWLLTWQIISO-JTQLQIEISA-N 1 2 275.377 3.303 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@H+](C)C[C@@H](C)C#N)s2)o1 ZINC000352092820 228181481 /nfs/dbraw/zinc/18/14/81/228181481.db2.gz YOBXWLLTWQIISO-JTQLQIEISA-N 1 2 275.377 3.303 20 30 CGEDLO C=CCCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298311380 260149889 /nfs/dbraw/zinc/14/98/89/260149889.db2.gz NPBIZHJTLOSBGX-OAHLLOKOSA-N 1 2 298.390 3.107 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)ccc1F ZINC000041044078 260182008 /nfs/dbraw/zinc/18/20/08/260182008.db2.gz JLSBPHFSLXKXKG-NSHDSACASA-N 1 2 285.160 3.370 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000072691474 260277734 /nfs/dbraw/zinc/27/77/34/260277734.db2.gz XXZZRVIVJYMJHZ-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000072691474 260277735 /nfs/dbraw/zinc/27/77/35/260277735.db2.gz XXZZRVIVJYMJHZ-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000491780171 262039219 /nfs/dbraw/zinc/03/92/19/262039219.db2.gz LGNJBIAARHUZSC-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250166 262258546 /nfs/dbraw/zinc/25/85/46/262258546.db2.gz KCPRVFUXMKPBJF-HNNXBMFYSA-N 1 2 295.471 3.141 20 30 CGEDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250166 262258547 /nfs/dbraw/zinc/25/85/47/262258547.db2.gz KCPRVFUXMKPBJF-HNNXBMFYSA-N 1 2 295.471 3.141 20 30 CGEDLO COc1c(O)cccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000272272407 263002933 /nfs/dbraw/zinc/00/29/33/263002933.db2.gz LPPPYUYZJZLYJC-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO COc1c(O)cccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000272272407 263002934 /nfs/dbraw/zinc/00/29/34/263002934.db2.gz LPPPYUYZJZLYJC-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO Cc1csc([C@@H](C)C/[NH+]=C/c2cccc(O)c2O)n1 ZINC000273210053 263013990 /nfs/dbraw/zinc/01/39/90/263013990.db2.gz NBDARAZVXRQQDU-HXBVQPGFSA-N 1 2 276.361 3.085 20 30 CGEDLO C[C@H]1COCC[C@H]1/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000277382843 263040802 /nfs/dbraw/zinc/04/08/02/263040802.db2.gz NHJWDPBFZSEWQO-BSNGOPDNSA-N 1 2 269.344 3.389 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)no1 ZINC000278102723 263045397 /nfs/dbraw/zinc/04/53/97/263045397.db2.gz AEVNGNOJQLAOHI-ZIAGYGMSSA-N 1 2 296.374 3.217 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714427 263049858 /nfs/dbraw/zinc/04/98/58/263049858.db2.gz UQAREAXQVOUBOM-DAXOMENPSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000278714427 263049859 /nfs/dbraw/zinc/04/98/59/263049859.db2.gz UQAREAXQVOUBOM-DAXOMENPSA-N 1 2 290.794 3.406 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280897118 263064934 /nfs/dbraw/zinc/06/49/34/263064934.db2.gz FSYAHZDFPRBALU-HNNXBMFYSA-N 1 2 294.402 3.441 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280897118 263064935 /nfs/dbraw/zinc/06/49/35/263064935.db2.gz FSYAHZDFPRBALU-HNNXBMFYSA-N 1 2 294.402 3.441 20 30 CGEDLO COCc1cc(N2CCC(C#N)CC2)c2cc(F)ccc2[nH+]1 ZINC000290715384 263118293 /nfs/dbraw/zinc/11/82/93/263118293.db2.gz XZXBBWFRTLKHAF-UHFFFAOYSA-N 1 2 299.349 3.260 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000292348027 263131239 /nfs/dbraw/zinc/13/12/39/263131239.db2.gz XINLXQWWNSVJDT-ZDUSSCGKSA-N 1 2 273.336 3.366 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000292348027 263131240 /nfs/dbraw/zinc/13/12/40/263131240.db2.gz XINLXQWWNSVJDT-ZDUSSCGKSA-N 1 2 273.336 3.366 20 30 CGEDLO CCOc1cc(C[N@H+](CC)CCC#N)cc(Cl)c1O ZINC000297638110 263207325 /nfs/dbraw/zinc/20/73/25/263207325.db2.gz IETSAYSKBMNIKZ-UHFFFAOYSA-N 1 2 282.771 3.180 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)CCC#N)cc(Cl)c1O ZINC000297638110 263207326 /nfs/dbraw/zinc/20/73/26/263207326.db2.gz IETSAYSKBMNIKZ-UHFFFAOYSA-N 1 2 282.771 3.180 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc([C@H](C)SCC)no1 ZINC000119773322 263278422 /nfs/dbraw/zinc/27/84/22/263278422.db2.gz UZAIBVORQUQSHC-NSHDSACASA-N 1 2 269.414 3.282 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc([C@H](C)SCC)no1 ZINC000119773322 263278424 /nfs/dbraw/zinc/27/84/24/263278424.db2.gz UZAIBVORQUQSHC-NSHDSACASA-N 1 2 269.414 3.282 20 30 CGEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ncc[nH]1 ZINC000353628672 263279556 /nfs/dbraw/zinc/27/95/56/263279556.db2.gz BOUOVAKJJAUNQL-TZMCWYRMSA-N 1 2 254.337 3.105 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000342006763 263376998 /nfs/dbraw/zinc/37/69/98/263376998.db2.gz PSBPGPACQINEOH-UHFFFAOYSA-N 1 2 269.348 3.197 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343064313 263586895 /nfs/dbraw/zinc/58/68/95/263586895.db2.gz QRCBNWZHIWQBMX-GXFFZTMASA-N 1 2 286.297 3.494 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125975089 264122976 /nfs/dbraw/zinc/12/29/76/264122976.db2.gz PVLBEFGDFUZBKA-HOCLYGCPSA-N 1 2 287.407 3.061 20 30 CGEDLO COCCN(CC(C)C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331325532 264190336 /nfs/dbraw/zinc/19/03/36/264190336.db2.gz MKXMEHICRHJVHM-UHFFFAOYSA-N 1 2 293.411 3.157 20 30 CGEDLO CCN(C[C@H]1CCCO1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331339224 264194380 /nfs/dbraw/zinc/19/43/80/264194380.db2.gz RRXSRFHUZZIMGR-CQSZACIVSA-N 1 2 291.395 3.053 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331343884 264196398 /nfs/dbraw/zinc/19/63/98/264196398.db2.gz LBUVXIBBNSQBIW-DZGCQCFKSA-N 1 2 285.391 3.030 20 30 CGEDLO Cc1cc(C)c(NC(=O)N[C@H](C(N)=O)C(C)(C)C)c(C)[nH+]1 ZINC000331299541 264198399 /nfs/dbraw/zinc/19/83/99/264198399.db2.gz DMXWTJFRPXZZCZ-GFCCVEGCSA-N 1 2 292.383 3.092 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000131812955 264382031 /nfs/dbraw/zinc/38/20/31/264382031.db2.gz XKICKEMGSLMATF-UHFFFAOYSA-N 1 2 283.375 3.027 20 30 CGEDLO CC#CCCCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294170099 265000316 /nfs/dbraw/zinc/00/03/16/265000316.db2.gz NEJFQJUYGDELIF-QGZVFWFLSA-N 1 2 295.386 3.151 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)ccc1C#N ZINC000531841222 267318884 /nfs/dbraw/zinc/31/88/84/267318884.db2.gz GGTPCWHFEOBPBC-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)ccc1C#N ZINC000531841222 267318888 /nfs/dbraw/zinc/31/88/88/267318888.db2.gz GGTPCWHFEOBPBC-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C=C1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000335440272 276878467 /nfs/dbraw/zinc/87/84/67/276878467.db2.gz GYAAJNHQQIXJTL-UHFFFAOYSA-N 1 2 256.271 3.252 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC000182688704 278029535 /nfs/dbraw/zinc/02/95/35/278029535.db2.gz JPDYESARKSBWCI-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC000182688704 278029536 /nfs/dbraw/zinc/02/95/36/278029536.db2.gz JPDYESARKSBWCI-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Clc1ccccc1C#CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351023812 279295801 /nfs/dbraw/zinc/29/58/01/279295801.db2.gz BIKBNYCEECXARS-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC1(C#N)CC1 ZINC000343563878 289071949 /nfs/dbraw/zinc/07/19/49/289071949.db2.gz MUSNTZSRDPNYDS-NWDGAFQWSA-N 1 2 258.340 3.437 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000343563878 289071953 /nfs/dbraw/zinc/07/19/53/289071953.db2.gz MUSNTZSRDPNYDS-NWDGAFQWSA-N 1 2 258.340 3.437 20 30 CGEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000333274655 294819665 /nfs/dbraw/zinc/81/96/65/294819665.db2.gz IIUJYLHIJOKADP-KGLIPLIRSA-N 1 2 270.380 3.176 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000267915177 328180870 /nfs/dbraw/zinc/18/08/70/328180870.db2.gz GTUYJIZFTSYTEY-NSHDSACASA-N 1 2 294.782 3.235 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000267915177 328180871 /nfs/dbraw/zinc/18/08/71/328180871.db2.gz GTUYJIZFTSYTEY-NSHDSACASA-N 1 2 294.782 3.235 20 30 CGEDLO Cc1cc(NCc2ccc([C@@H]3C[C@@H]3C)o2)c(C#N)c[nH+]1 ZINC000563706555 322007088 /nfs/dbraw/zinc/00/70/88/322007088.db2.gz OPFJHPWGNNKNLE-IINYFYTJSA-N 1 2 267.332 3.012 20 30 CGEDLO N#Cc1c(F)cccc1COc1ccccc1-n1cc[nH+]c1 ZINC000563824339 322011724 /nfs/dbraw/zinc/01/17/24/322011724.db2.gz XHFYXHHGRNJAGD-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000559465869 327246650 /nfs/dbraw/zinc/24/66/50/327246650.db2.gz CYBJKDNJQNGDEN-CABCVRRESA-N 1 2 286.419 3.482 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000559465869 327246652 /nfs/dbraw/zinc/24/66/52/327246652.db2.gz CYBJKDNJQNGDEN-CABCVRRESA-N 1 2 286.419 3.482 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000555761918 327249790 /nfs/dbraw/zinc/24/97/90/327249790.db2.gz QJGVBXDPLVPWQH-NSHDSACASA-N 1 2 289.379 3.360 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000555761918 327249791 /nfs/dbraw/zinc/24/97/91/327249791.db2.gz QJGVBXDPLVPWQH-NSHDSACASA-N 1 2 289.379 3.360 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+](C)C[C@@H](C#N)CCC#N)c1 ZINC000120671488 327345471 /nfs/dbraw/zinc/34/54/71/327345471.db2.gz GNSLUGBWRWSFLG-MRXNPFEDSA-N 1 2 285.391 3.349 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)c1 ZINC000120671488 327345473 /nfs/dbraw/zinc/34/54/73/327345473.db2.gz GNSLUGBWRWSFLG-MRXNPFEDSA-N 1 2 285.391 3.349 20 30 CGEDLO C=CCN(Cc1cccs1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000561059858 327361978 /nfs/dbraw/zinc/36/19/78/327361978.db2.gz FNFZYHROFOZCLR-ZDUSSCGKSA-N 1 2 289.404 3.111 20 30 CGEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377483303 329016464 /nfs/dbraw/zinc/01/64/64/329016464.db2.gz BKRSVNWPMNWGTL-ZDUSSCGKSA-N 1 2 287.281 3.145 20 30 CGEDLO C=CC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377483303 329016466 /nfs/dbraw/zinc/01/64/66/329016466.db2.gz BKRSVNWPMNWGTL-ZDUSSCGKSA-N 1 2 287.281 3.145 20 30 CGEDLO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C)(C#N)CC1 ZINC000378596520 329055861 /nfs/dbraw/zinc/05/58/61/329055861.db2.gz PAEPDZXGSAALGV-CYBMUJFWSA-N 1 2 296.374 3.423 20 30 CGEDLO CC[C@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177186269 329180658 /nfs/dbraw/zinc/18/06/58/329180658.db2.gz DNNJJAWOZFUUDN-HNNXBMFYSA-N 1 2 297.320 3.168 20 30 CGEDLO CC[C@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177186269 329180660 /nfs/dbraw/zinc/18/06/60/329180660.db2.gz DNNJJAWOZFUUDN-HNNXBMFYSA-N 1 2 297.320 3.168 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1noc(COC)n1)c1ccccc1 ZINC000182814214 329242078 /nfs/dbraw/zinc/24/20/78/329242078.db2.gz YICNICLGMLECRC-AWEZNQCLSA-N 1 2 287.363 3.013 20 30 CGEDLO CC#CCC[N@@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000185033058 329264911 /nfs/dbraw/zinc/26/49/11/329264911.db2.gz KOJNQQCGWPIIKV-LBPRGKRZSA-N 1 2 266.410 3.086 20 30 CGEDLO CC#CCC[N@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000185033058 329264913 /nfs/dbraw/zinc/26/49/13/329264913.db2.gz KOJNQQCGWPIIKV-LBPRGKRZSA-N 1 2 266.410 3.086 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000185148590 329266886 /nfs/dbraw/zinc/26/68/86/329266886.db2.gz JNFXYQYAHQZGTK-AWEZNQCLSA-N 1 2 289.423 3.146 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185327671 329273047 /nfs/dbraw/zinc/27/30/47/329273047.db2.gz JPOGTRRIIMEWIL-STQMWFEESA-N 1 2 289.329 3.198 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185327671 329273048 /nfs/dbraw/zinc/27/30/48/329273048.db2.gz JPOGTRRIIMEWIL-STQMWFEESA-N 1 2 289.329 3.198 20 30 CGEDLO C=CCCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425259696 329651839 /nfs/dbraw/zinc/65/18/39/329651839.db2.gz VNKOUENYBYXHJJ-MRXNPFEDSA-N 1 2 297.402 3.404 20 30 CGEDLO C=CCOCCSCc1cn2cccc(C)c2[nH+]1 ZINC000419421976 329727379 /nfs/dbraw/zinc/72/73/79/329727379.db2.gz GJOMPMOOXOUWPB-UHFFFAOYSA-N 1 2 262.378 3.079 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420827102 329785783 /nfs/dbraw/zinc/78/57/83/329785783.db2.gz RHFRISTUXMVESW-GFCCVEGCSA-N 1 2 275.396 3.242 20 30 CGEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433300489 330216877 /nfs/dbraw/zinc/21/68/77/330216877.db2.gz DTZUPHLBRIOOHW-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433300489 330216879 /nfs/dbraw/zinc/21/68/79/330216879.db2.gz DTZUPHLBRIOOHW-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000424552817 330374508 /nfs/dbraw/zinc/37/45/08/330374508.db2.gz BSHKJMFCBIRIEA-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO N#CCCC[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC000433018702 330612381 /nfs/dbraw/zinc/61/23/81/330612381.db2.gz IYPYWTDTNJDKPO-OAHLLOKOSA-N 1 2 296.374 3.472 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000435603579 330658769 /nfs/dbraw/zinc/65/87/69/330658769.db2.gz KBNOBMFGVMEDLX-WMLDXEAASA-N 1 2 268.360 3.050 20 30 CGEDLO C=CC[C@@H](CC)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000440636516 330753258 /nfs/dbraw/zinc/75/32/58/330753258.db2.gz HYYVDJCNTKEGMT-CQSZACIVSA-N 1 2 282.391 3.290 20 30 CGEDLO C=CC(C)(C)CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000452777361 331076835 /nfs/dbraw/zinc/07/68/35/331076835.db2.gz UHYCXQPEJWESTF-UHFFFAOYSA-N 1 2 285.391 3.063 20 30 CGEDLO Cc1ccc(C[NH2+]CC(C)(C)C#N)c(Br)c1 ZINC000164696381 331287502 /nfs/dbraw/zinc/28/75/02/331287502.db2.gz JJTLQFMWYNEAIT-UHFFFAOYSA-N 1 2 281.197 3.397 20 30 CGEDLO C=CCC[NH2+][C@H](C(=O)OCC)c1cccc(C)c1C ZINC000459625215 331291023 /nfs/dbraw/zinc/29/10/23/331291023.db2.gz HSHCQZDFKMBPBW-HNNXBMFYSA-N 1 2 261.365 3.073 20 30 CGEDLO C=C(C[NH2+][C@H](CC(C)C)C(=O)OCC)c1ccccc1 ZINC000488239844 331995558 /nfs/dbraw/zinc/99/55/58/331995558.db2.gz DPPOGAWDHJLVBR-MRXNPFEDSA-N 1 2 275.392 3.267 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000489431244 332052079 /nfs/dbraw/zinc/05/20/79/332052079.db2.gz DSNQSIYZQMQOMR-LLVKDONJSA-N 1 2 264.300 3.274 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000489431244 332052081 /nfs/dbraw/zinc/05/20/81/332052081.db2.gz DSNQSIYZQMQOMR-LLVKDONJSA-N 1 2 264.300 3.274 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491506835 332225371 /nfs/dbraw/zinc/22/53/71/332225371.db2.gz RNXHFDWOJRIDFP-ZDUSSCGKSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491506835 332225372 /nfs/dbraw/zinc/22/53/72/332225372.db2.gz RNXHFDWOJRIDFP-ZDUSSCGKSA-N 1 2 254.333 3.104 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000491615578 332243048 /nfs/dbraw/zinc/24/30/48/332243048.db2.gz FHVZEMLYDPQYCN-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CC1 ZINC000491615578 332243049 /nfs/dbraw/zinc/24/30/49/332243049.db2.gz FHVZEMLYDPQYCN-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000491619785 332246000 /nfs/dbraw/zinc/24/60/00/332246000.db2.gz GCZQHNBTQNZESB-ZDUSSCGKSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000491619785 332246001 /nfs/dbraw/zinc/24/60/01/332246001.db2.gz GCZQHNBTQNZESB-ZDUSSCGKSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000491619784 332246024 /nfs/dbraw/zinc/24/60/24/332246024.db2.gz GCZQHNBTQNZESB-CYBMUJFWSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000491619784 332246025 /nfs/dbraw/zinc/24/60/25/332246025.db2.gz GCZQHNBTQNZESB-CYBMUJFWSA-N 1 2 254.333 3.104 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000572972018 334896190 /nfs/dbraw/zinc/89/61/90/334896190.db2.gz MJWIEQIHIOBDCH-NWDGAFQWSA-N 1 2 291.420 3.017 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000513959317 333054938 /nfs/dbraw/zinc/05/49/38/333054938.db2.gz JUWDHLBRNXXEIU-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000513959317 333054939 /nfs/dbraw/zinc/05/49/39/333054939.db2.gz JUWDHLBRNXXEIU-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000185035093 333134505 /nfs/dbraw/zinc/13/45/05/333134505.db2.gz VLQLNYOMGXNHLU-OAHLLOKOSA-N 1 2 297.320 3.492 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000185035093 333134506 /nfs/dbraw/zinc/13/45/06/333134506.db2.gz VLQLNYOMGXNHLU-OAHLLOKOSA-N 1 2 297.320 3.492 20 30 CGEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC(C)C)c1 ZINC000575867095 335126011 /nfs/dbraw/zinc/12/60/11/335126011.db2.gz QKVVWFPPVNVMJM-HNNXBMFYSA-N 1 2 285.391 3.315 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(C)(C)C ZINC000522012065 333230246 /nfs/dbraw/zinc/23/02/46/333230246.db2.gz XSNQQUGPDDSLQZ-CYBMUJFWSA-N 1 2 287.407 3.204 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000546637337 334042626 /nfs/dbraw/zinc/04/26/26/334042626.db2.gz LHBFTZKTOOTJKJ-NSHDSACASA-N 1 2 271.364 3.423 20 30 CGEDLO Cc1cc(NC(=O)c2cccc(SCC#N)c2)cc[nH+]1 ZINC000079895338 334163966 /nfs/dbraw/zinc/16/39/66/334163966.db2.gz BGEBBBCWHDDNJX-UHFFFAOYSA-N 1 2 283.356 3.258 20 30 CGEDLO CCCc1cc(NCC2(C#N)CC2)c2ccccc2[nH+]1 ZINC000568344455 334816772 /nfs/dbraw/zinc/81/67/72/334816772.db2.gz BCBGBHXJAHHMMM-UHFFFAOYSA-N 1 2 265.360 3.325 20 30 CGEDLO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1nc2ccccc2[nH]1 ZINC000577741207 335395297 /nfs/dbraw/zinc/39/52/97/335395297.db2.gz AAUYXEYGDIGTFR-BBRMVZONSA-N 1 2 295.390 3.293 20 30 CGEDLO N#CC1(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000347411993 534548838 /nfs/dbraw/zinc/54/88/38/534548838.db2.gz CBQJBDRQAXEJMS-LBPRGKRZSA-N 1 2 276.767 3.097 20 30 CGEDLO N#CC1(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000347411993 534548846 /nfs/dbraw/zinc/54/88/46/534548846.db2.gz CBQJBDRQAXEJMS-LBPRGKRZSA-N 1 2 276.767 3.097 20 30 CGEDLO C=CCCOCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354880322 527370261 /nfs/dbraw/zinc/37/02/61/527370261.db2.gz DNEVUTRBNJRPLS-UHFFFAOYSA-N 1 2 260.312 3.379 20 30 CGEDLO C=C[C@@H](CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000347947123 527420593 /nfs/dbraw/zinc/42/05/93/527420593.db2.gz ZMDVIRSETZGWCH-GOEBONIOSA-N 1 2 295.386 3.433 20 30 CGEDLO CC(C)c1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425544501 528499159 /nfs/dbraw/zinc/49/91/59/528499159.db2.gz SYEJVKUNPLCJLL-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425544501 528499165 /nfs/dbraw/zinc/49/91/65/528499165.db2.gz SYEJVKUNPLCJLL-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO CC1(CC(F)(F)F)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000459645122 535115635 /nfs/dbraw/zinc/11/56/35/535115635.db2.gz YLTJQOVKSXVVFT-UHFFFAOYSA-N 1 2 274.311 3.394 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ncccc2Cl)cc1F ZINC000727651336 571759230 /nfs/dbraw/zinc/75/92/30/571759230.db2.gz UOVJOEMBSYTVBF-UHFFFAOYSA-N 1 2 292.745 3.386 20 30 CGEDLO Oc1cccc(/C=[NH+]\C2CC(c3ccccc3)C2)c1O ZINC000728226744 571796308 /nfs/dbraw/zinc/79/63/08/571796308.db2.gz XRLGOZZENBHTMD-WQRHYEAKSA-N 1 2 267.328 3.463 20 30 CGEDLO Cc1ccc(C[C@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)c(C)c1 ZINC000731155580 572398150 /nfs/dbraw/zinc/39/81/50/572398150.db2.gz LMMFAACFURBSHE-UZPSYVQNSA-N 1 2 299.370 3.470 20 30 CGEDLO C[C@@H]1CC[C@H](/[NH+]=C/c2ccc(O)c(O)c2O)[C@@H](C)C1 ZINC000733080846 572507066 /nfs/dbraw/zinc/50/70/66/572507066.db2.gz DAIYJDLRBPPLCZ-XIOJRIKGSA-N 1 2 263.337 3.047 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccc2ccccc2c1 ZINC000742615410 572600381 /nfs/dbraw/zinc/60/03/81/572600381.db2.gz AHAJXGOLVATJOH-UHFFFAOYSA-N 1 2 283.371 3.391 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccc2ccccc2c1 ZINC000742615410 572600384 /nfs/dbraw/zinc/60/03/84/572600384.db2.gz AHAJXGOLVATJOH-UHFFFAOYSA-N 1 2 283.371 3.391 20 30 CGEDLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1cccc(C#N)c1 ZINC000743497735 572666784 /nfs/dbraw/zinc/66/67/84/572666784.db2.gz ZOYMXXAQMNERQY-LLVKDONJSA-N 1 2 267.332 3.274 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H]2C[C@@](C)(OC)C2(C)C)c(O)c1 ZINC000745976962 572846033 /nfs/dbraw/zinc/84/60/33/572846033.db2.gz POPHAPQJZXUQNF-NOPJKMJJSA-N 1 2 291.391 3.413 20 30 CGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(C)nn2)cc1 ZINC000748076415 572959462 /nfs/dbraw/zinc/95/94/62/572959462.db2.gz USGWGMLEOOKKBV-UHFFFAOYSA-N 1 2 283.379 3.077 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)o1 ZINC000749000579 572988026 /nfs/dbraw/zinc/98/80/26/572988026.db2.gz YXKIGPVRKOBIMN-BQYQJAHWSA-N 1 2 266.300 3.440 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@H]2CCCSC2)c(O)c1 ZINC000749007571 572988174 /nfs/dbraw/zinc/98/81/74/572988174.db2.gz JKIIEUKMMOGTOG-DGGAMASNSA-N 1 2 265.378 3.105 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H](C)c2ccncc2)c1O ZINC000749844454 573046470 /nfs/dbraw/zinc/04/64/70/573046470.db2.gz JUNAPWIXQHRDJU-HCZVKUGISA-N 1 2 284.359 3.409 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cnn(C2CCC2)c1 ZINC000899400999 620692368 /nfs/dbraw/zinc/69/23/68/620692368.db2.gz QMHZFBVQCAFOOR-VOTSOKGWSA-N 1 2 284.363 3.282 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2c(C)cccc2C)C1 ZINC000952322955 613295897 /nfs/dbraw/zinc/29/58/97/613295897.db2.gz WGMIWCNOLBUCKI-UHFFFAOYSA-N 1 2 286.419 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000981226178 613373233 /nfs/dbraw/zinc/37/32/33/613373233.db2.gz ZRMIOGSLLCSHSV-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000981226178 613373234 /nfs/dbraw/zinc/37/32/34/613373234.db2.gz ZRMIOGSLLCSHSV-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000981895586 613373741 /nfs/dbraw/zinc/37/37/41/613373741.db2.gz PPWKZNKGHWNXRO-CABCVRRESA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000981895586 613373742 /nfs/dbraw/zinc/37/37/42/613373742.db2.gz PPWKZNKGHWNXRO-CABCVRRESA-N 1 2 298.858 3.100 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC2(CCOC)CCC2)c1O ZINC000255013367 617742731 /nfs/dbraw/zinc/74/27/31/617742731.db2.gz HTRHBQWSUCCMKH-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO C=C1CCC(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000891016586 617944040 /nfs/dbraw/zinc/94/40/40/617944040.db2.gz NTNYHCJVEAKPGN-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC000891938088 618395894 /nfs/dbraw/zinc/39/58/94/618395894.db2.gz XLOMFXUUZRLOPA-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC000891938088 618395902 /nfs/dbraw/zinc/39/59/02/618395902.db2.gz XLOMFXUUZRLOPA-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO CC[C@@H]([NH2+]CCc1cccc(C)n1)c1cccc(C#N)c1O ZINC000926329536 618474479 /nfs/dbraw/zinc/47/44/79/618474479.db2.gz SJBFIYAJXWFTBC-QGZVFWFLSA-N 1 2 295.386 3.251 20 30 CGEDLO CSCC1(CC/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000849170570 618684032 /nfs/dbraw/zinc/68/40/32/618684032.db2.gz QUFOECLWZVGRPD-OQLLNIDSSA-N 1 2 265.378 3.050 20 30 CGEDLO Oc1ccccc1/C=N\Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000255624039 618766156 /nfs/dbraw/zinc/76/61/56/618766156.db2.gz QSCUEPGKBYAWPY-UNOMPAQXSA-N 1 2 277.327 3.197 20 30 CGEDLO CC1(C)CCC/C(=C\c2c[nH+]c3ccccn23)C1=O ZINC000177021756 618772133 /nfs/dbraw/zinc/77/21/33/618772133.db2.gz RUFPSMUITLYLQR-ZRDIBKRKSA-N 1 2 254.333 3.497 20 30 CGEDLO C=CCN[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000309292460 618848315 /nfs/dbraw/zinc/84/83/15/618848315.db2.gz QOXOQNQQEQVMAK-UHFFFAOYSA-N 1 2 258.152 3.075 20 30 CGEDLO CCCC[C@@H](CC)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000783567819 618913205 /nfs/dbraw/zinc/91/32/05/618913205.db2.gz WPMJGLDXUKPGHG-WBVHZDCISA-N 1 2 277.456 3.265 20 30 CGEDLO CCCC[C@@H](CC)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000783567819 618913209 /nfs/dbraw/zinc/91/32/09/618913209.db2.gz WPMJGLDXUKPGHG-WBVHZDCISA-N 1 2 277.456 3.265 20 30 CGEDLO C=CC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccncc1 ZINC000892973970 618967844 /nfs/dbraw/zinc/96/78/44/618967844.db2.gz ZZLSUMQIQOCOSJ-ZDUSSCGKSA-N 1 2 288.420 3.464 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cccc(C#N)c1O ZINC000925690412 619139638 /nfs/dbraw/zinc/13/96/38/619139638.db2.gz JJQLIACHJFVENU-KBMXLJTQSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@H]([NH2+]CCCCCOC)c1cccc(C#N)c1O ZINC000924873972 619382977 /nfs/dbraw/zinc/38/29/77/619382977.db2.gz ZUOGUZAGLANRDM-HNNXBMFYSA-N 1 2 276.380 3.121 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccccc1O)c1cccc(C#N)c1O ZINC000924897256 619425352 /nfs/dbraw/zinc/42/53/52/619425352.db2.gz GFKDASUEJNVMRY-MRXNPFEDSA-N 1 2 296.370 3.253 20 30 CGEDLO Cc1sccc1C=NNc1cc[nH+]c2ccccc12 ZINC000814841201 619425586 /nfs/dbraw/zinc/42/55/86/619425586.db2.gz GEXJUFLRKVGXJT-UHFFFAOYSA-N 1 2 267.357 3.473 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000879309800 619491070 /nfs/dbraw/zinc/49/10/70/619491070.db2.gz QHCGPIDXBJCROR-STQMWFEESA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000879309800 619491074 /nfs/dbraw/zinc/49/10/74/619491074.db2.gz QHCGPIDXBJCROR-STQMWFEESA-N 1 2 263.772 3.168 20 30 CGEDLO CC[C@H](C)CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000793158483 619698628 /nfs/dbraw/zinc/69/86/28/619698628.db2.gz HOIVGCVASWALMQ-NSHDSACASA-N 1 2 263.366 3.330 20 30 CGEDLO Cc1cc(C#N)ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346910 619809133 /nfs/dbraw/zinc/80/91/33/619809133.db2.gz NSGZINMRRARISQ-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO CC[C@H]([NH2+]CCCC(C)(C)CO)c1cccc(C#N)c1O ZINC000925129467 619868035 /nfs/dbraw/zinc/86/80/35/619868035.db2.gz ITNLSHXAIOLJKH-HNNXBMFYSA-N 1 2 290.407 3.103 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000896501700 620017366 /nfs/dbraw/zinc/01/73/66/620017366.db2.gz HOMDRNLUVJCFFL-INIZCTEOSA-N 1 2 277.371 3.484 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000896501700 620017370 /nfs/dbraw/zinc/01/73/70/620017370.db2.gz HOMDRNLUVJCFFL-INIZCTEOSA-N 1 2 277.371 3.484 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000896500756 620017388 /nfs/dbraw/zinc/01/73/88/620017388.db2.gz JZKAOJWCOFJIEN-MRXNPFEDSA-N 1 2 283.419 3.412 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000896500756 620017393 /nfs/dbraw/zinc/01/73/93/620017393.db2.gz JZKAOJWCOFJIEN-MRXNPFEDSA-N 1 2 283.419 3.412 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000896501500 620017635 /nfs/dbraw/zinc/01/76/35/620017635.db2.gz RZNABLLFJAMOSW-AWEZNQCLSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000896501500 620017639 /nfs/dbraw/zinc/01/76/39/620017639.db2.gz RZNABLLFJAMOSW-AWEZNQCLSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCCC2CCOCC2)c(O)c1 ZINC000840708229 620093252 /nfs/dbraw/zinc/09/32/52/620093252.db2.gz VLUFUZQQOVPLAI-QGOAFFKASA-N 1 2 291.391 3.417 20 30 CGEDLO Oc1cccc(/C=[NH+]/CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000899228048 620627175 /nfs/dbraw/zinc/62/71/75/620627175.db2.gz XKBNTXBGUJJSPD-HNEYUBDGSA-N 1 2 275.348 3.009 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2cc(F)ccc2C1=O ZINC000901475976 620891110 /nfs/dbraw/zinc/89/11/10/620891110.db2.gz BJTUREHPSKWUJV-KPKJPENVSA-N 1 2 270.307 3.426 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cnn(C(C)(C)C)c1C ZINC000901496058 620900972 /nfs/dbraw/zinc/90/09/72/620900972.db2.gz QMTWHJYZTFAHLF-BQYQJAHWSA-N 1 2 286.379 3.059 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2ncccc2C1=O ZINC000901542012 620920638 /nfs/dbraw/zinc/92/06/38/620920638.db2.gz FUZILILRAXDHJJ-XYOKQWHBSA-N 1 2 267.332 3.072 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1csc(N)n1)c1ccco1 ZINC000902497891 621345541 /nfs/dbraw/zinc/34/55/41/621345541.db2.gz BGXAXFVBOZAMOS-NSHDSACASA-N 1 2 263.366 3.115 20 30 CGEDLO COc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)c(Cl)c1 ZINC000903105470 621578228 /nfs/dbraw/zinc/57/82/28/621578228.db2.gz CKUDOTXCYYIKOU-JTQLQIEISA-N 1 2 264.756 3.303 20 30 CGEDLO CC(=NOC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905470214 622079704 /nfs/dbraw/zinc/07/97/04/622079704.db2.gz PRAPBEXCYQZYRF-UHFFFAOYSA-N 1 2 255.321 3.165 20 30 CGEDLO COc1ccc(C2CC2)cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000905782213 622105091 /nfs/dbraw/zinc/10/50/91/622105091.db2.gz ZSBKCUOOJUMHQA-CYBMUJFWSA-N 1 2 283.375 3.106 20 30 CGEDLO Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000905964710 622128520 /nfs/dbraw/zinc/12/85/20/622128520.db2.gz BDUSIYNWZVREPR-ZDUSSCGKSA-N 1 2 293.370 3.370 20 30 CGEDLO Cc1cc(CNC(=O)[C@]2(C#N)CC3CCC2CC3)cc(C)[nH+]1 ZINC000911167651 622523729 /nfs/dbraw/zinc/52/37/29/622523729.db2.gz JCUCUUWIAIDPAB-PVARCSIZSA-N 1 2 297.402 3.035 20 30 CGEDLO Oc1ccc(/C=[NH+]/CCC2Cc3ccccc3C2)c(O)c1O ZINC000157137065 622863390 /nfs/dbraw/zinc/86/33/90/622863390.db2.gz OGFDXLNRDWATRM-YBFXNURJSA-N 1 2 297.354 3.027 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc2c(c1)CCO2 ZINC000172544298 623253657 /nfs/dbraw/zinc/25/36/57/623253657.db2.gz OHDCWOZCUZKKBP-AATRIKPKSA-N 1 2 290.322 3.165 20 30 CGEDLO C[C@@H]1C[C@H](C[N@H+](CCC#N)Cc2ccccn2)C[C@H](C)O1 ZINC000929796551 623672203 /nfs/dbraw/zinc/67/22/03/623672203.db2.gz CXCFFAIWWKEJKT-ZSHCYNCHSA-N 1 2 287.407 3.001 20 30 CGEDLO C[C@@H]1C[C@H](C[N@@H+](CCC#N)Cc2ccccn2)C[C@H](C)O1 ZINC000929796551 623672205 /nfs/dbraw/zinc/67/22/05/623672205.db2.gz CXCFFAIWWKEJKT-ZSHCYNCHSA-N 1 2 287.407 3.001 20 30 CGEDLO Cc1cc(CO[NH+]=C(N)c2ccc(F)cc2)c(C)s1 ZINC000920398781 624489732 /nfs/dbraw/zinc/48/97/32/624489732.db2.gz CFXSYHNHMFOFKU-UHFFFAOYSA-N 1 2 278.352 3.341 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc2c(c1)CCO2 ZINC000180311540 624735050 /nfs/dbraw/zinc/73/50/50/624735050.db2.gz PDLQMDYQWXGWEZ-AATRIKPKSA-N 1 2 290.322 3.165 20 30 CGEDLO C=CCC1(C(=O)OCCCc2[nH+]ccn2C)CCCC1 ZINC000835329552 634453880 /nfs/dbraw/zinc/45/38/80/634453880.db2.gz GGOGKSMHFANVPU-UHFFFAOYSA-N 1 2 276.380 3.032 20 30 CGEDLO CC[N@@H+](Cc1cc(C)nc(Cl)c1)C[C@H](C)C#N ZINC000320856037 625976954 /nfs/dbraw/zinc/97/69/54/625976954.db2.gz KCJVJMJANFUNNB-SNVBAGLBSA-N 1 2 251.761 3.025 20 30 CGEDLO CC[N@H+](Cc1cc(C)nc(Cl)c1)C[C@H](C)C#N ZINC000320856037 625976956 /nfs/dbraw/zinc/97/69/56/625976956.db2.gz KCJVJMJANFUNNB-SNVBAGLBSA-N 1 2 251.761 3.025 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C/c2cccc3[nH+]ccn32)co1 ZINC000752887670 626441579 /nfs/dbraw/zinc/44/15/79/626441579.db2.gz KVMUYZFBOOBSGR-VOTSOKGWSA-N 1 2 281.315 3.342 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2(C)CCOCC2)c(O)c1 ZINC000753136130 626446250 /nfs/dbraw/zinc/44/62/50/626446250.db2.gz CMFWAIDJGUUWDE-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO CC(C)c1[nH+]c(C=NOCc2cccnc2)c2ccccn21 ZINC000755801051 626647804 /nfs/dbraw/zinc/64/78/04/626647804.db2.gz GDPYCSJMGJETLV-UHFFFAOYSA-N 1 2 294.358 3.403 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000756014801 626669930 /nfs/dbraw/zinc/66/99/30/626669930.db2.gz SYVGSZMXVBHYCX-ZFWWWQNUSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000756014801 626669931 /nfs/dbraw/zinc/66/99/31/626669931.db2.gz SYVGSZMXVBHYCX-ZFWWWQNUSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000756014797 626669944 /nfs/dbraw/zinc/66/99/44/626669944.db2.gz SYVGSZMXVBHYCX-DZGCQCFKSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000756014797 626669946 /nfs/dbraw/zinc/66/99/46/626669946.db2.gz SYVGSZMXVBHYCX-DZGCQCFKSA-N 1 2 261.365 3.187 20 30 CGEDLO C#CCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000760827773 626995132 /nfs/dbraw/zinc/99/51/32/626995132.db2.gz OBKNUNXUBXSMGW-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO C#CCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000760827773 626995134 /nfs/dbraw/zinc/99/51/34/626995134.db2.gz OBKNUNXUBXSMGW-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO CC#CCCCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000767319845 627398389 /nfs/dbraw/zinc/39/83/89/627398389.db2.gz HCPHMVKRWDCFEM-UHFFFAOYSA-N 1 2 293.436 3.117 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc(C#N)c1F ZINC000769163154 627527149 /nfs/dbraw/zinc/52/71/49/627527149.db2.gz OGAHLYAKLVOGRX-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(C#N)c1F ZINC000769163154 627527153 /nfs/dbraw/zinc/52/71/53/627527153.db2.gz OGAHLYAKLVOGRX-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1Br ZINC000769961167 627592930 /nfs/dbraw/zinc/59/29/30/627592930.db2.gz PEZOOISALBHEDO-VIFPVBQESA-N 1 2 270.145 3.042 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000769961167 627592934 /nfs/dbraw/zinc/59/29/34/627592934.db2.gz PEZOOISALBHEDO-VIFPVBQESA-N 1 2 270.145 3.042 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000769962072 627593280 /nfs/dbraw/zinc/59/32/80/627593280.db2.gz AUPHYMNFNCVRCQ-ZDUSSCGKSA-N 1 2 283.375 3.314 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000769962072 627593282 /nfs/dbraw/zinc/59/32/82/627593282.db2.gz AUPHYMNFNCVRCQ-ZDUSSCGKSA-N 1 2 283.375 3.314 20 30 CGEDLO Clc1ccc(CNN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771101007 627683254 /nfs/dbraw/zinc/68/32/54/627683254.db2.gz XKOMLITWBXMAAC-UHFFFAOYSA-N 1 2 284.750 3.111 20 30 CGEDLO FC(F)(F)CO[NH+]=C1CCCNc2ccccc21 ZINC000774396301 627982588 /nfs/dbraw/zinc/98/25/88/627982588.db2.gz AYQPOYLYRRXILB-UHFFFAOYSA-N 1 2 258.243 3.175 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(CF)cc2)ccc1F ZINC000777543304 628280597 /nfs/dbraw/zinc/28/05/97/628280597.db2.gz YVZSBIKFYOEYAK-UHFFFAOYSA-N 1 2 290.313 3.441 20 30 CGEDLO CCc1ccccc1CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000783553046 628724564 /nfs/dbraw/zinc/72/45/64/628724564.db2.gz JKWGEDMSOAHFDW-UHFFFAOYSA-N 1 2 284.359 3.095 20 30 CGEDLO C=CCC[N@@H+](C)Cn1c2c(sc1=O)C[C@@H](CCC)CC2 ZINC000786101597 628914417 /nfs/dbraw/zinc/91/44/17/628914417.db2.gz NOFDOHLTUUKSIW-ZDUSSCGKSA-N 1 2 294.464 3.280 20 30 CGEDLO C=CCC[N@H+](C)Cn1c2c(sc1=O)C[C@@H](CCC)CC2 ZINC000786101597 628914419 /nfs/dbraw/zinc/91/44/19/628914419.db2.gz NOFDOHLTUUKSIW-ZDUSSCGKSA-N 1 2 294.464 3.280 20 30 CGEDLO C=CCC[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000786578129 628949351 /nfs/dbraw/zinc/94/93/51/628949351.db2.gz IFWXJVXIPRKOSR-UHFFFAOYSA-N 1 2 299.168 3.365 20 30 CGEDLO C=CCC[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000786578129 628949352 /nfs/dbraw/zinc/94/93/52/628949352.db2.gz IFWXJVXIPRKOSR-UHFFFAOYSA-N 1 2 299.168 3.365 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cncs1 ZINC000787173243 628999454 /nfs/dbraw/zinc/99/94/54/628999454.db2.gz YXKWZRKLITZFBQ-NSCUHMNNSA-N 1 2 289.747 3.340 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cnc(Cl)cn1 ZINC000788469418 629056982 /nfs/dbraw/zinc/05/69/82/629056982.db2.gz JWBMZRWNMWLPBZ-UHFFFAOYSA-N 1 2 273.767 3.318 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(Cl)cn1 ZINC000788469418 629056983 /nfs/dbraw/zinc/05/69/83/629056983.db2.gz JWBMZRWNMWLPBZ-UHFFFAOYSA-N 1 2 273.767 3.318 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCCCCOC(C)(C)C)ccc1F ZINC000788788928 629081892 /nfs/dbraw/zinc/08/18/92/629081892.db2.gz YHFBYXMXUGCEMB-UHFFFAOYSA-N 1 2 296.386 3.366 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000788965141 629092047 /nfs/dbraw/zinc/09/20/47/629092047.db2.gz TWNUQXDASYNWGW-UHFFFAOYSA-N 1 2 268.769 3.147 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc(C#N)c1 ZINC000792630847 629371852 /nfs/dbraw/zinc/37/18/52/629371852.db2.gz LLMGYZTYORQQCU-UHFFFAOYSA-N 1 2 290.370 3.362 20 30 CGEDLO CC(C)n1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)cn1 ZINC000119136580 629445864 /nfs/dbraw/zinc/44/58/64/629445864.db2.gz UMVHEAJOZRPEEI-VOTSOKGWSA-N 1 2 280.331 3.008 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)s1 ZINC000794698714 629568831 /nfs/dbraw/zinc/56/88/31/629568831.db2.gz QFANTQHSCNOCLF-ALCCZGGFSA-N 1 2 292.429 3.471 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccnc(F)c1 ZINC000794721447 629571762 /nfs/dbraw/zinc/57/17/62/629571762.db2.gz ZNGWAZVLPGBRTM-OWOJBTEDSA-N 1 2 299.330 3.364 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC000796640015 629809207 /nfs/dbraw/zinc/80/92/07/629809207.db2.gz UBECMRCJNNHGCU-UHFFFAOYSA-N 1 2 299.395 3.170 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC000796640015 629809209 /nfs/dbraw/zinc/80/92/09/629809209.db2.gz UBECMRCJNNHGCU-UHFFFAOYSA-N 1 2 299.395 3.170 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CCO1 ZINC000799724700 630225418 /nfs/dbraw/zinc/22/54/18/630225418.db2.gz QMCFJLCQYKWRJV-IIAWOOMASA-N 1 2 285.391 3.016 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000800334903 630266530 /nfs/dbraw/zinc/26/65/30/630266530.db2.gz UGVFCTRQIYDKCR-QGZVFWFLSA-N 1 2 298.386 3.075 20 30 CGEDLO O=C1c2ccc(Cl)nc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000806578135 630568496 /nfs/dbraw/zinc/56/84/96/630568496.db2.gz NWGPQRJLCSQGOV-YFHOEESVSA-N 1 2 295.729 3.205 20 30 CGEDLO C#Cc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000809627781 630766449 /nfs/dbraw/zinc/76/64/49/630766449.db2.gz GPNIYIGRSBCILH-UHFFFAOYSA-N 1 2 277.371 3.275 20 30 CGEDLO COCC1(C/[NH+]=C/c2ccccc2O)CCCCC1 ZINC000811625444 631093502 /nfs/dbraw/zinc/09/35/02/631093502.db2.gz MTCBPSUHJVCCGH-GZTJUZNOSA-N 1 2 261.365 3.408 20 30 CGEDLO CCC(=[NH+]Nc1cnnc2ccccc21)c1cccc(N)c1 ZINC000814849444 631654800 /nfs/dbraw/zinc/65/48/00/631654800.db2.gz VUBWXDFYCHAZCH-UHFFFAOYSA-N 1 2 291.358 3.438 20 30 CGEDLO C#CCOc1ccccc1NCc1c[nH+]cn1C(C)C ZINC000818205063 632297920 /nfs/dbraw/zinc/29/79/20/632297920.db2.gz QEQLDUISKUCNNJ-UHFFFAOYSA-N 1 2 269.348 3.088 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ccccc1O[C@H](C)C#N ZINC000818201322 632298082 /nfs/dbraw/zinc/29/80/82/632298082.db2.gz UCQMFLMEADAVFT-CYBMUJFWSA-N 1 2 284.363 3.367 20 30 CGEDLO Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000821022159 632713060 /nfs/dbraw/zinc/71/30/60/632713060.db2.gz PGYGLYUHBZRTDH-XFSBKJJWSA-N 1 2 258.708 3.213 20 30 CGEDLO N#CCC1(CNc2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865751729 632877741 /nfs/dbraw/zinc/87/77/41/632877741.db2.gz YDOQHMWWYLLQHN-UHFFFAOYSA-N 1 2 293.374 3.194 20 30 CGEDLO N#CCC1(CNc2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865751729 632877748 /nfs/dbraw/zinc/87/77/48/632877748.db2.gz YDOQHMWWYLLQHN-UHFFFAOYSA-N 1 2 293.374 3.194 20 30 CGEDLO CCCCOCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212587 633030947 /nfs/dbraw/zinc/03/09/47/633030947.db2.gz IBZJIDAWPNWFPJ-ZDUSSCGKSA-N 1 2 276.380 3.121 20 30 CGEDLO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866243610 633042823 /nfs/dbraw/zinc/04/28/23/633042823.db2.gz HXQPNEZPCCTWGN-STQMWFEESA-N 1 2 296.370 3.168 20 30 CGEDLO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866243609 633042845 /nfs/dbraw/zinc/04/28/45/633042845.db2.gz HXQPNEZPCCTWGN-QWHCGFSZSA-N 1 2 296.370 3.168 20 30 CGEDLO CCc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cs1 ZINC000866263387 633050726 /nfs/dbraw/zinc/05/07/26/633050726.db2.gz PCCUOTSNYQGNTA-JTQLQIEISA-N 1 2 287.388 3.134 20 30 CGEDLO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866272627 633057269 /nfs/dbraw/zinc/05/72/69/633057269.db2.gz XXMHJPKCYFXKKD-SUMWQHHRSA-N 1 2 290.407 3.102 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866308892 633075718 /nfs/dbraw/zinc/07/57/18/633075718.db2.gz JDCBVSGFECMCMR-QWRGUYRKSA-N 1 2 299.374 3.323 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866308893 633076003 /nfs/dbraw/zinc/07/60/03/633076003.db2.gz JDCBVSGFECMCMR-WDEREUQCSA-N 1 2 299.374 3.323 20 30 CGEDLO CC(C)CSCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866310254 633076614 /nfs/dbraw/zinc/07/66/14/633076614.db2.gz LZODATHXAFZMLY-LBPRGKRZSA-N 1 2 278.421 3.304 20 30 CGEDLO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cccc(C#N)c1O ZINC000866339023 633086959 /nfs/dbraw/zinc/08/69/59/633086959.db2.gz BMEVVSXVKJZXEO-LBPRGKRZSA-N 1 2 278.355 3.082 20 30 CGEDLO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866341472 633088463 /nfs/dbraw/zinc/08/84/63/633088463.db2.gz YBUZALYEUONCAW-DZGCQCFKSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866367569 633105038 /nfs/dbraw/zinc/10/50/38/633105038.db2.gz KWQRIBWLWPYJBY-NOZJJQNGSA-N 1 2 299.201 3.498 20 30 CGEDLO C=CCCSCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866386581 633115760 /nfs/dbraw/zinc/11/57/60/633115760.db2.gz HITJHNNSEBAGPY-LBPRGKRZSA-N 1 2 276.405 3.224 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(C#N)c1O ZINC000866389560 633116689 /nfs/dbraw/zinc/11/66/89/633116689.db2.gz VLIMVDZGGWCRMX-ZJUUUORDSA-N 1 2 273.361 3.132 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1O ZINC000866388967 633117034 /nfs/dbraw/zinc/11/70/34/633117034.db2.gz BTLWCQDCKXXSME-GTNSWQLSSA-N 1 2 294.354 3.308 20 30 CGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(Cl)s1)CC2 ZINC000872112651 634038281 /nfs/dbraw/zinc/03/82/81/634038281.db2.gz KHFPTKREYLBLGQ-GFCCVEGCSA-N 1 2 289.791 3.445 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000876681647 634880280 /nfs/dbraw/zinc/88/02/80/634880280.db2.gz WQZVXQNTBDFHCM-BLLLJJGKSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000876681647 634880283 /nfs/dbraw/zinc/88/02/83/634880283.db2.gz WQZVXQNTBDFHCM-BLLLJJGKSA-N 1 2 294.345 3.278 20 30 CGEDLO CCC1(C/[NH+]=C\c2c(O)ccc3ccccc32)COC1 ZINC000840711302 635040072 /nfs/dbraw/zinc/04/00/72/635040072.db2.gz YHOJSRCGQQLTSZ-NVMNQCDNSA-N 1 2 269.344 3.391 20 30 CGEDLO CC(C)[C@@H]1[N@H+](Cc2cc(C#N)cnc2Cl)CC1(C)C ZINC000877548891 635084602 /nfs/dbraw/zinc/08/46/02/635084602.db2.gz VOOMWGSUNCKIIM-ZDUSSCGKSA-N 1 2 277.799 3.473 20 30 CGEDLO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)cnc2Cl)CC1(C)C ZINC000877548891 635084607 /nfs/dbraw/zinc/08/46/07/635084607.db2.gz VOOMWGSUNCKIIM-ZDUSSCGKSA-N 1 2 277.799 3.473 20 30 CGEDLO C=CC(C)(C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000878378691 635481872 /nfs/dbraw/zinc/48/18/72/635481872.db2.gz KJQCAMLESXNLSQ-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO C=CC(C)(C)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000878641270 635584027 /nfs/dbraw/zinc/58/40/27/635584027.db2.gz RYGKLHIZSQLZEJ-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO Cc1conc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000878847241 635642377 /nfs/dbraw/zinc/64/23/77/635642377.db2.gz QLQFFXHJFBZISH-UHFFFAOYSA-N 1 2 267.332 3.024 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879630003 635822771 /nfs/dbraw/zinc/82/27/71/635822771.db2.gz DQGGIVUXBPNRKP-MRXNPFEDSA-N 1 2 261.365 3.035 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879630003 635822777 /nfs/dbraw/zinc/82/27/77/635822777.db2.gz DQGGIVUXBPNRKP-MRXNPFEDSA-N 1 2 261.365 3.035 20 30 CGEDLO CCCCCC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844472626 635912648 /nfs/dbraw/zinc/91/26/48/635912648.db2.gz QCZHFRVDBCDMOJ-INIZCTEOSA-N 1 2 272.392 3.205 20 30 CGEDLO CCCCCC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844472626 635912653 /nfs/dbraw/zinc/91/26/53/635912653.db2.gz QCZHFRVDBCDMOJ-INIZCTEOSA-N 1 2 272.392 3.205 20 30 CGEDLO C=CCCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844534615 635925260 /nfs/dbraw/zinc/92/52/60/635925260.db2.gz LSAAEGTWDYFJSW-AWEZNQCLSA-N 1 2 263.385 3.087 20 30 CGEDLO Cc1nc(C)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000847044990 636321807 /nfs/dbraw/zinc/32/18/07/636321807.db2.gz JGAKVHALRHMLMD-UHFFFAOYSA-N 1 2 269.373 3.147 20 30 CGEDLO Cc1nc(C)c(C[N@H+]2Cc3ccc(C#N)cc3C2)s1 ZINC000847044990 636321810 /nfs/dbraw/zinc/32/18/10/636321810.db2.gz JGAKVHALRHMLMD-UHFFFAOYSA-N 1 2 269.373 3.147 20 30 CGEDLO CCCCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000847611590 636403306 /nfs/dbraw/zinc/40/33/06/636403306.db2.gz NPDSYTOZFVBGPN-ZDUSSCGKSA-N 1 2 265.401 3.065 20 30 CGEDLO CCCCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000847611590 636403314 /nfs/dbraw/zinc/40/33/14/636403314.db2.gz NPDSYTOZFVBGPN-ZDUSSCGKSA-N 1 2 265.401 3.065 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000848876726 636669117 /nfs/dbraw/zinc/66/91/17/636669117.db2.gz KRUHKYYNMFYXOP-MRXNPFEDSA-N 1 2 299.805 3.196 20 30 CGEDLO C#CC[N@H+](Cc1cnc(Cl)n1C)[C@@H]1CCc2ccccc21 ZINC000848876726 636669119 /nfs/dbraw/zinc/66/91/19/636669119.db2.gz KRUHKYYNMFYXOP-MRXNPFEDSA-N 1 2 299.805 3.196 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C/c1cc(OC)ccc1O ZINC000849169361 636762418 /nfs/dbraw/zinc/76/24/18/636762418.db2.gz BOQOUQJPIFECLB-WOJGMQOQSA-N 1 2 293.407 3.397 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852319370 637632961 /nfs/dbraw/zinc/63/29/61/637632961.db2.gz LDWDRGPPVRKGTJ-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852319370 637632967 /nfs/dbraw/zinc/63/29/67/637632967.db2.gz LDWDRGPPVRKGTJ-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852319366 637633575 /nfs/dbraw/zinc/63/35/75/637633575.db2.gz LALSATLIQSQZHU-OAHLLOKOSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852319366 637633577 /nfs/dbraw/zinc/63/35/77/637633577.db2.gz LALSATLIQSQZHU-OAHLLOKOSA-N 1 2 299.418 3.374 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CC2=CCCC2)C1 ZINC000852331663 637636822 /nfs/dbraw/zinc/63/68/22/637636822.db2.gz NVTOERQDWKZWIK-QGZVFWFLSA-N 1 2 267.376 3.049 20 30 CGEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC2=CCCC2)C1 ZINC000852331663 637636824 /nfs/dbraw/zinc/63/68/24/637636824.db2.gz NVTOERQDWKZWIK-QGZVFWFLSA-N 1 2 267.376 3.049 20 30 CGEDLO C=C1CCC(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000889324779 638004220 /nfs/dbraw/zinc/00/42/20/638004220.db2.gz FCMROIULCJSIQQ-UHFFFAOYSA-N 1 2 297.402 3.048 20 30 CGEDLO CC[C@@H]([NH2+]CCC(O)(CC)CC)c1cccc(C#N)c1O ZINC000926256590 638754583 /nfs/dbraw/zinc/75/45/83/638754583.db2.gz SZPJSWOVOMEODF-OAHLLOKOSA-N 1 2 290.407 3.246 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000926799664 638813820 /nfs/dbraw/zinc/81/38/20/638813820.db2.gz RYAMPBDLVYPBJG-IJLUTSLNSA-N 1 2 284.281 3.255 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1ncccn1 ZINC000929162732 638904219 /nfs/dbraw/zinc/90/42/19/638904219.db2.gz SRUAAIXGVCGVTO-AWEZNQCLSA-N 1 2 253.349 3.226 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ncccn1 ZINC000929162732 638904222 /nfs/dbraw/zinc/90/42/22/638904222.db2.gz SRUAAIXGVCGVTO-AWEZNQCLSA-N 1 2 253.349 3.226 20 30 CGEDLO CC(F)(F)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000929799172 638952885 /nfs/dbraw/zinc/95/28/85/638952885.db2.gz NQKQWHVGDYIISK-UHFFFAOYSA-N 1 2 267.323 3.233 20 30 CGEDLO CC(F)(F)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000929799172 638952886 /nfs/dbraw/zinc/95/28/86/638952886.db2.gz NQKQWHVGDYIISK-UHFFFAOYSA-N 1 2 267.323 3.233 20 30 CGEDLO CC(F)(F)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930134610 638977047 /nfs/dbraw/zinc/97/70/47/638977047.db2.gz IQTNOGNNLUMNEO-HNNXBMFYSA-N 1 2 294.345 3.367 20 30 CGEDLO CC(F)(F)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000930134610 638977050 /nfs/dbraw/zinc/97/70/50/638977050.db2.gz IQTNOGNNLUMNEO-HNNXBMFYSA-N 1 2 294.345 3.367 20 30 CGEDLO CCc1nocc1C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930580788 639031160 /nfs/dbraw/zinc/03/11/60/639031160.db2.gz KPSZZLYMUUXSMX-UHFFFAOYSA-N 1 2 289.766 3.394 20 30 CGEDLO CCc1nocc1C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930580788 639031165 /nfs/dbraw/zinc/03/11/65/639031165.db2.gz KPSZZLYMUUXSMX-UHFFFAOYSA-N 1 2 289.766 3.394 20 30 CGEDLO COc1ccc([N@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000930841869 639075090 /nfs/dbraw/zinc/07/50/90/639075090.db2.gz PPCILUKLOWTZLK-UHFFFAOYSA-N 1 2 258.365 3.461 20 30 CGEDLO COc1ccc([N@@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000930841869 639075092 /nfs/dbraw/zinc/07/50/92/639075092.db2.gz PPCILUKLOWTZLK-UHFFFAOYSA-N 1 2 258.365 3.461 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931081373 639109736 /nfs/dbraw/zinc/10/97/36/639109736.db2.gz ZRTQKWOYRQKRNS-INIZCTEOSA-N 1 2 294.345 3.031 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000931081373 639109737 /nfs/dbraw/zinc/10/97/37/639109737.db2.gz ZRTQKWOYRQKRNS-INIZCTEOSA-N 1 2 294.345 3.031 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ncco2)CC1 ZINC000931449742 639150447 /nfs/dbraw/zinc/15/04/47/639150447.db2.gz ZDIIUZYZPLKYNW-UHFFFAOYSA-N 1 2 285.322 3.065 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2cccs2)o1)C(C)C ZINC000932391372 639325076 /nfs/dbraw/zinc/32/50/76/639325076.db2.gz XBWZPJHSTYFKOU-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2cccs2)o1)C(C)C ZINC000932391372 639325079 /nfs/dbraw/zinc/32/50/79/639325079.db2.gz XBWZPJHSTYFKOU-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708984 639480247 /nfs/dbraw/zinc/48/02/47/639480247.db2.gz CHOZCBDTVJCTQY-VIFPVBQESA-N 1 2 291.704 3.037 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708984 639480251 /nfs/dbraw/zinc/48/02/51/639480251.db2.gz CHOZCBDTVJCTQY-VIFPVBQESA-N 1 2 291.704 3.037 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000935643137 639839154 /nfs/dbraw/zinc/83/91/54/639839154.db2.gz YPTKXLZDOLDVFG-HNNXBMFYSA-N 1 2 291.439 3.286 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@](C)(O)c2ccccc2)c1O ZINC000189355641 640188965 /nfs/dbraw/zinc/18/89/65/640188965.db2.gz XTGYHRFCQUHJAP-DYGKOUCMSA-N 1 2 299.370 3.118 20 30 CGEDLO NC(Cc1cccnc1)=[NH+]OCc1cccc2ccccc21 ZINC000089506488 640648727 /nfs/dbraw/zinc/64/87/27/640648727.db2.gz SSBOGUDVRIFXAE-UHFFFAOYSA-N 1 2 291.354 3.266 20 30 CGEDLO CCOc1nccc(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC001250385037 805596681 /nfs/dbraw/zinc/59/66/81/805596681.db2.gz GHKABNURLNNWCS-UHFFFAOYSA-N 1 2 293.798 3.259 20 30 CGEDLO COc1ccc2c(cc[nH+]c2NC2=CC(=O)CCC2)c1 ZINC001155708362 805605908 /nfs/dbraw/zinc/60/59/08/805605908.db2.gz IILJWHLBBRNEDL-UHFFFAOYSA-N 1 2 268.316 3.292 20 30 CGEDLO Cc1c[nH+]c(NCCSCc2ccco2)c(/C=N/O)c1 ZINC001156190992 805663847 /nfs/dbraw/zinc/66/38/47/805663847.db2.gz JBGOVRAPSXHOPO-RQZCQDPDSA-N 1 2 291.376 3.136 20 30 CGEDLO COc1cc2[nH+]c(CCc3cccc(C#N)c3)[nH]c2cc1F ZINC001250581623 805706297 /nfs/dbraw/zinc/70/62/97/805706297.db2.gz INIZLGNGGSKMPM-UHFFFAOYSA-N 1 2 295.317 3.367 20 30 CGEDLO COc1cc2[nH]c(CCc3cccc(C#N)c3)[nH+]c2cc1F ZINC001250581623 805706302 /nfs/dbraw/zinc/70/63/02/805706302.db2.gz INIZLGNGGSKMPM-UHFFFAOYSA-N 1 2 295.317 3.367 20 30 CGEDLO COc1ccc2[nH+]c(CCc3ccc(C#N)cc3)n(C)c2c1 ZINC001250581996 805706927 /nfs/dbraw/zinc/70/69/27/805706927.db2.gz QXVZGXSUORZMRD-UHFFFAOYSA-N 1 2 291.354 3.239 20 30 CGEDLO C=CCN(c1[nH+]ccc2[nH]cc(C#N)c21)C(C)(C)C ZINC001157585742 805839796 /nfs/dbraw/zinc/83/97/96/805839796.db2.gz RCWZXXDPQJMFFB-UHFFFAOYSA-N 1 2 254.337 3.225 20 30 CGEDLO C#C[C@](C)(CC)Nc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001158738943 805994611 /nfs/dbraw/zinc/99/46/11/805994611.db2.gz YLUGPFYWRGYNTG-QGZVFWFLSA-N 1 2 284.359 3.466 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001252602794 806082758 /nfs/dbraw/zinc/08/27/58/806082758.db2.gz WXJLWTGKSVSTGM-BBRMVZONSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001252602794 806082768 /nfs/dbraw/zinc/08/27/68/806082768.db2.gz WXJLWTGKSVSTGM-BBRMVZONSA-N 1 2 295.810 3.040 20 30 CGEDLO COC1CCC(CCNc2[nH+]cc(C)cc2/C=N/O)CC1 ZINC001160642364 806291665 /nfs/dbraw/zinc/29/16/65/806291665.db2.gz UESFJGCLWGPJHK-YBFXNURJSA-N 1 2 291.395 3.205 20 30 CGEDLO CC[C@@](C)(C#N)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254292827 806380023 /nfs/dbraw/zinc/38/00/23/806380023.db2.gz JMRXLWRWEVKDDI-BBRMVZONSA-N 1 2 295.427 3.058 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC001254386358 806391501 /nfs/dbraw/zinc/39/15/01/806391501.db2.gz OPDLQSBMVVGOMF-OAHLLOKOSA-N 1 2 278.783 3.235 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC001254386358 806391509 /nfs/dbraw/zinc/39/15/09/806391509.db2.gz OPDLQSBMVVGOMF-OAHLLOKOSA-N 1 2 278.783 3.235 20 30 CGEDLO Cc1c(C#N)c(NCCCn2cc[nH+]c2)nc2ccccc12 ZINC001161682374 806417294 /nfs/dbraw/zinc/41/72/94/806417294.db2.gz PAEKVNOMCXLWMJ-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC[C@H]3CCC(F)(F)C3)c2)CC1 ZINC001162647430 806637261 /nfs/dbraw/zinc/63/72/61/806637261.db2.gz ATOZSFLXIGDPAF-NSHDSACASA-N 1 2 277.318 3.484 20 30 CGEDLO C#CCNc1ccc2c(c1)[nH+]cn2-c1ccccc1OC ZINC001163372006 806752199 /nfs/dbraw/zinc/75/21/99/806752199.db2.gz DRLJNYWOBXPABF-UHFFFAOYSA-N 1 2 277.327 3.079 20 30 CGEDLO C=C(C)CNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001163375580 806753195 /nfs/dbraw/zinc/75/31/95/806753195.db2.gz DVDBFBYTAILVHW-OTJDAXFFSA-N 1 2 293.436 3.259 20 30 CGEDLO COc1cnccc1[C@@H](Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001163397789 806757766 /nfs/dbraw/zinc/75/77/66/806757766.db2.gz JVGISHSOESGZBL-KRWDZBQOSA-N 1 2 294.358 3.114 20 30 CGEDLO COc1ccc(C#N)c(Nc2cc(C)c[nH+]c2C)c1 ZINC000404491610 799576956 /nfs/dbraw/zinc/57/69/56/799576956.db2.gz QHKSCCPOHJNYHA-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255848045 806767568 /nfs/dbraw/zinc/76/75/68/806767568.db2.gz VUGXYLRRDZOSOP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255848045 806767572 /nfs/dbraw/zinc/76/75/72/806767572.db2.gz VUGXYLRRDZOSOP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255848045 806767580 /nfs/dbraw/zinc/76/75/80/806767580.db2.gz VUGXYLRRDZOSOP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255848045 806767583 /nfs/dbraw/zinc/76/75/83/806767583.db2.gz VUGXYLRRDZOSOP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000721444087 800289629 /nfs/dbraw/zinc/28/96/29/800289629.db2.gz ZEHNZLZUKZLNEP-LBPRGKRZSA-N 1 2 286.322 3.038 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000721444087 800289631 /nfs/dbraw/zinc/28/96/31/800289631.db2.gz ZEHNZLZUKZLNEP-LBPRGKRZSA-N 1 2 286.322 3.038 20 30 CGEDLO CCCC[N@H+](CC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256295769 806857008 /nfs/dbraw/zinc/85/70/08/806857008.db2.gz RBCUHEJHGAWBTH-UHFFFAOYSA-N 1 2 295.427 3.012 20 30 CGEDLO CCCC[N@@H+](CC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256295769 806857015 /nfs/dbraw/zinc/85/70/15/806857015.db2.gz RBCUHEJHGAWBTH-UHFFFAOYSA-N 1 2 295.427 3.012 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001031502783 800914362 /nfs/dbraw/zinc/91/43/62/800914362.db2.gz IWBHPMBFSFXBMU-UHFFFAOYSA-N 1 2 296.414 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753315 800981963 /nfs/dbraw/zinc/98/19/63/800981963.db2.gz PHIKTLUQTQNUJG-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753315 800981966 /nfs/dbraw/zinc/98/19/66/800981966.db2.gz PHIKTLUQTQNUJG-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO COc1ccc(O[C@@H](C)CNc2[nH+]cccc2CC#N)cc1 ZINC001164038383 806880101 /nfs/dbraw/zinc/88/01/01/806880101.db2.gz UHOQWHLGMUXAPG-ZDUSSCGKSA-N 1 2 297.358 3.036 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001044007577 801228303 /nfs/dbraw/zinc/22/83/03/801228303.db2.gz ALKJFLRJESEQGZ-KSSFIOAISA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046550762 801315327 /nfs/dbraw/zinc/31/53/27/801315327.db2.gz JJCMNMUGNBVMJF-BBRMVZONSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046550762 801315334 /nfs/dbraw/zinc/31/53/34/801315334.db2.gz JJCMNMUGNBVMJF-BBRMVZONSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071476373 801538053 /nfs/dbraw/zinc/53/80/53/801538053.db2.gz FWPLMYQMPPVNIV-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071476373 801538057 /nfs/dbraw/zinc/53/80/57/801538057.db2.gz FWPLMYQMPPVNIV-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO CC1(C)CN(c2[nH+]ccc3ccc(C#N)cc32)[C@@](C)(CO)C1 ZINC001164356896 806939569 /nfs/dbraw/zinc/93/95/69/806939569.db2.gz KUXCKIVKVRMHKY-GOSISDBHSA-N 1 2 295.386 3.094 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108930118 802104924 /nfs/dbraw/zinc/10/49/24/802104924.db2.gz FFBXZTUCMMCLMS-RDBSUJKOSA-N 1 2 284.831 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108930118 802104926 /nfs/dbraw/zinc/10/49/26/802104926.db2.gz FFBXZTUCMMCLMS-RDBSUJKOSA-N 1 2 284.831 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001109222354 802112735 /nfs/dbraw/zinc/11/27/35/802112735.db2.gz PAIOBFYXSLMWFP-ATGSNQNLSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001109222354 802112740 /nfs/dbraw/zinc/11/27/40/802112740.db2.gz PAIOBFYXSLMWFP-ATGSNQNLSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC)C2 ZINC001111346905 802158685 /nfs/dbraw/zinc/15/86/85/802158685.db2.gz ACHAHAYFWZGJKY-KFWWJZLASA-N 1 2 298.858 3.431 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC)C2 ZINC001111346905 802158690 /nfs/dbraw/zinc/15/86/90/802158690.db2.gz ACHAHAYFWZGJKY-KFWWJZLASA-N 1 2 298.858 3.431 20 30 CGEDLO C=C(CC)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001123893960 802978753 /nfs/dbraw/zinc/97/87/53/802978753.db2.gz TVDYBLOXWDDNQJ-UHFFFAOYSA-N 1 2 269.348 3.206 20 30 CGEDLO C=C/C(=[NH+]\COC)c1ccc(N2CCCC2)cc1F ZINC001244271469 803271837 /nfs/dbraw/zinc/27/18/37/803271837.db2.gz UFQLNTGTPQXGHF-BMRADRMJSA-N 1 2 262.328 3.005 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787068 803344628 /nfs/dbraw/zinc/34/46/28/803344628.db2.gz FJPNYCMUQJDQCB-KBPBESRZSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787068 803344636 /nfs/dbraw/zinc/34/46/36/803344636.db2.gz FJPNYCMUQJDQCB-KBPBESRZSA-N 1 2 286.847 3.144 20 30 CGEDLO CNc1cc(-c2ccc(C3(C#N)CCOCC3)cc2)cc[nH+]1 ZINC001244972176 803598031 /nfs/dbraw/zinc/59/80/31/803598031.db2.gz DWALZABPZGIQAB-UHFFFAOYSA-N 1 2 293.370 3.362 20 30 CGEDLO Cc1cn2cc(-c3cccc(C#N)c3F)ccc2[nH+]1 ZINC001245068243 803629960 /nfs/dbraw/zinc/62/99/60/803629960.db2.gz FRACUIZQTSZGKT-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137120626 803684672 /nfs/dbraw/zinc/68/46/72/803684672.db2.gz XOVCNXFNSOQZMH-UHFFFAOYSA-N 1 2 294.354 3.113 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137120626 803684676 /nfs/dbraw/zinc/68/46/76/803684676.db2.gz XOVCNXFNSOQZMH-UHFFFAOYSA-N 1 2 294.354 3.113 20 30 CGEDLO CCOc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccn1 ZINC001245266403 803685422 /nfs/dbraw/zinc/68/54/22/803685422.db2.gz HCEAJBCBDWCWLB-UDWIEESQSA-N 1 2 294.358 3.240 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341261 803719314 /nfs/dbraw/zinc/71/93/14/803719314.db2.gz FOYFWOLTMAHDAK-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341261 803719317 /nfs/dbraw/zinc/71/93/17/803719317.db2.gz FOYFWOLTMAHDAK-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#CCC[N@H+](Cc1c[nH]c2ncccc12)Cc1ccccc1 ZINC001137397090 803728690 /nfs/dbraw/zinc/72/86/90/803728690.db2.gz YYZISBMTYSHXHL-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1c[nH]c2ncccc12)Cc1ccccc1 ZINC001137397090 803728691 /nfs/dbraw/zinc/72/86/91/803728691.db2.gz YYZISBMTYSHXHL-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1 ZINC001137697903 803759201 /nfs/dbraw/zinc/75/92/01/803759201.db2.gz ADXBLSZZUZNFMH-NSHDSACASA-N 1 2 280.318 3.044 20 30 CGEDLO COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1 ZINC001137697903 803759207 /nfs/dbraw/zinc/75/92/07/803759207.db2.gz ADXBLSZZUZNFMH-NSHDSACASA-N 1 2 280.318 3.044 20 30 CGEDLO C=CCc1cccc(C[N@H+](C)Cc2nccs2)c1O ZINC001138627933 803986290 /nfs/dbraw/zinc/98/62/90/803986290.db2.gz KEERLJIIIMQQKB-UHFFFAOYSA-N 1 2 274.389 3.209 20 30 CGEDLO C=CCc1cccc(C[N@@H+](C)Cc2nccs2)c1O ZINC001138627933 803986294 /nfs/dbraw/zinc/98/62/94/803986294.db2.gz KEERLJIIIMQQKB-UHFFFAOYSA-N 1 2 274.389 3.209 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)Cc1cncs1 ZINC001139031359 804113727 /nfs/dbraw/zinc/11/37/27/804113727.db2.gz WRQJFJQPFRPADH-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1cncs1 ZINC001139031359 804113736 /nfs/dbraw/zinc/11/37/36/804113736.db2.gz WRQJFJQPFRPADH-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C[N@H+](Cc1cccc(Cl)c1C#N)C1CC(F)(F)C1 ZINC001139690029 804254514 /nfs/dbraw/zinc/25/45/14/804254514.db2.gz MOIJVLSTTJGFBE-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO C[N@@H+](Cc1cccc(Cl)c1C#N)C1CC(F)(F)C1 ZINC001139690029 804254522 /nfs/dbraw/zinc/25/45/22/804254522.db2.gz MOIJVLSTTJGFBE-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1nccs1 ZINC001139706076 804261455 /nfs/dbraw/zinc/26/14/55/804261455.db2.gz KKFJDYXDHFWKED-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@H+](Cc1c[nH]c2c1cccc2C#N)Cc1nccs1 ZINC001139706076 804261461 /nfs/dbraw/zinc/26/14/61/804261461.db2.gz KKFJDYXDHFWKED-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1 ZINC001140167879 804390817 /nfs/dbraw/zinc/39/08/17/804390817.db2.gz LYGFUQKERLKZSS-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1 ZINC001140167879 804390824 /nfs/dbraw/zinc/39/08/24/804390824.db2.gz LYGFUQKERLKZSS-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1c(O)cccc1Cl ZINC001140345226 804419827 /nfs/dbraw/zinc/41/98/27/804419827.db2.gz QHSPWDPRBMXNGF-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1c(O)cccc1Cl ZINC001140345226 804419829 /nfs/dbraw/zinc/41/98/29/804419829.db2.gz QHSPWDPRBMXNGF-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO N#Cc1ccc(Cl)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC001140599808 804471848 /nfs/dbraw/zinc/47/18/48/804471848.db2.gz RVBPFUORNFVVMG-UHFFFAOYSA-N 1 2 270.710 3.443 20 30 CGEDLO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001140963977 804559566 /nfs/dbraw/zinc/55/95/66/804559566.db2.gz OVBQQCZAJGAFKO-LLVKDONJSA-N 1 2 284.281 3.239 20 30 CGEDLO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001140963977 804559575 /nfs/dbraw/zinc/55/95/75/804559575.db2.gz OVBQQCZAJGAFKO-LLVKDONJSA-N 1 2 284.281 3.239 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001143719233 804888132 /nfs/dbraw/zinc/88/81/32/804888132.db2.gz UDOMGCRYQFLYCN-MRXNPFEDSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001143719233 804888137 /nfs/dbraw/zinc/88/81/37/804888137.db2.gz UDOMGCRYQFLYCN-MRXNPFEDSA-N 1 2 290.794 3.357 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)cc(F)c1C ZINC001143764596 804892877 /nfs/dbraw/zinc/89/28/77/804892877.db2.gz UUPJGKJHKIVVPS-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1C ZINC001143764596 804892887 /nfs/dbraw/zinc/89/28/87/804892887.db2.gz UUPJGKJHKIVVPS-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO Cc1c(C[N@H+](C)CCC#N)cccc1C(F)(F)F ZINC001143917803 804905575 /nfs/dbraw/zinc/90/55/75/804905575.db2.gz QIICTWBYBVYVMX-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO Cc1c(C[N@@H+](C)CCC#N)cccc1C(F)(F)F ZINC001143917803 804905577 /nfs/dbraw/zinc/90/55/77/804905577.db2.gz QIICTWBYBVYVMX-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001144072877 804932989 /nfs/dbraw/zinc/93/29/89/804932989.db2.gz JBDOZJNOJDKDHG-UHFFFAOYSA-N 1 2 283.375 3.472 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001144754047 805052861 /nfs/dbraw/zinc/05/28/61/805052861.db2.gz BUDXEPWBRFOCME-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001144754047 805052874 /nfs/dbraw/zinc/05/28/74/805052874.db2.gz BUDXEPWBRFOCME-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C[C@H]1CC([NH2+]C2(C#N)CCCCCC2)C[C@H](C)O1 ZINC001257074490 807044005 /nfs/dbraw/zinc/04/40/05/807044005.db2.gz NYYRCFQTSQNJQT-STQMWFEESA-N 1 2 250.386 3.149 20 30 CGEDLO CCCCCCCNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001249631907 805194098 /nfs/dbraw/zinc/19/40/98/805194098.db2.gz YPUMXZNHHOKEIX-UHFFFAOYSA-N 1 2 291.464 3.249 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)C2CCCC2)nc1C ZINC001249902130 805292032 /nfs/dbraw/zinc/29/20/32/805292032.db2.gz MEUBUCSHPRLAAO-UHFFFAOYSA-N 1 2 273.380 3.057 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)nc1C ZINC001249902130 805292043 /nfs/dbraw/zinc/29/20/43/805292043.db2.gz MEUBUCSHPRLAAO-UHFFFAOYSA-N 1 2 273.380 3.057 20 30 CGEDLO N#Cc1ccccc1Cc1ccc[nH+]c1N1CCCC1 ZINC001250046576 805386950 /nfs/dbraw/zinc/38/69/50/805386950.db2.gz ZKQMTXRUNFKTMQ-UHFFFAOYSA-N 1 2 263.344 3.144 20 30 CGEDLO N#Cc1ccc(C2CCC([NH+]3CC(F)C3)CC2)cc1 ZINC001257016156 807028592 /nfs/dbraw/zinc/02/85/92/807028592.db2.gz WJTDADDNTORYLR-UHFFFAOYSA-N 1 2 258.340 3.238 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1cnccn1 ZINC001167251189 807170671 /nfs/dbraw/zinc/17/06/71/807170671.db2.gz BZOAQTRPSXVLHY-CQSZACIVSA-N 1 2 278.359 3.097 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1cnccn1 ZINC001167251189 807170675 /nfs/dbraw/zinc/17/06/75/807170675.db2.gz BZOAQTRPSXVLHY-CQSZACIVSA-N 1 2 278.359 3.097 20 30 CGEDLO CCCCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257513283 807188337 /nfs/dbraw/zinc/18/83/37/807188337.db2.gz SCTMOZQDQUHOAR-DGCLKSJQSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257513283 807188339 /nfs/dbraw/zinc/18/83/39/807188339.db2.gz SCTMOZQDQUHOAR-DGCLKSJQSA-N 1 2 253.411 3.229 20 30 CGEDLO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258059825 807281683 /nfs/dbraw/zinc/28/16/83/807281683.db2.gz IPPQTHKYESFUND-KBPBESRZSA-N 1 2 252.402 3.110 20 30 CGEDLO C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@@H](C)C1 ZINC001258160211 807329310 /nfs/dbraw/zinc/32/93/10/807329310.db2.gz RHPJYEPQNNOGOF-UNJBNNCHSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@H]1C[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@@H](C)C1 ZINC001258160211 807329319 /nfs/dbraw/zinc/32/93/19/807329319.db2.gz RHPJYEPQNNOGOF-UNJBNNCHSA-N 1 2 265.422 3.085 20 30 CGEDLO CCCCC[C@@H](CCC)[NH2+]C1(C#N)CCOCC1 ZINC001258668708 807535796 /nfs/dbraw/zinc/53/57/96/807535796.db2.gz ZAEMDRXMIJVATM-CQSZACIVSA-N 1 2 252.402 3.398 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1ncccc1OC ZINC001169204272 807600977 /nfs/dbraw/zinc/60/09/77/807600977.db2.gz BNAJIMUXFVULCK-UHFFFAOYSA-N 1 2 269.348 3.134 20 30 CGEDLO C[C@H](CNc1ccc(CC#N)c[nH+]1)c1ccc(O)cc1 ZINC001169532020 807656030 /nfs/dbraw/zinc/65/60/30/807656030.db2.gz FDUZVFDSQPTUMC-GFCCVEGCSA-N 1 2 267.332 3.069 20 30 CGEDLO CCCNc1cc(C)[nH+]c(NC2=CC(=O)CC(C)(C)C2)n1 ZINC001169950844 807728193 /nfs/dbraw/zinc/72/81/93/807728193.db2.gz HANSDNRYJGTBQN-UHFFFAOYSA-N 1 2 288.395 3.292 20 30 CGEDLO N#C[C@@H]1CC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049651 807972631 /nfs/dbraw/zinc/97/26/31/807972631.db2.gz KVOFDWYHBKVXFG-WCQYABFASA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@@H]1CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049651 807972635 /nfs/dbraw/zinc/97/26/35/807972635.db2.gz KVOFDWYHBKVXFG-WCQYABFASA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050943 807972732 /nfs/dbraw/zinc/97/27/32/807972732.db2.gz UFNFYQAHOZABFR-OCCSQVGLSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050943 807972735 /nfs/dbraw/zinc/97/27/35/807972735.db2.gz UFNFYQAHOZABFR-OCCSQVGLSA-N 1 2 274.795 3.433 20 30 CGEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001172787307 808439241 /nfs/dbraw/zinc/43/92/41/808439241.db2.gz TXMCLICPQSTXGZ-IIAWOOMASA-N 1 2 280.412 3.026 20 30 CGEDLO Cc1cc(C#N)cc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213032456 815206070 /nfs/dbraw/zinc/20/60/70/815206070.db2.gz HAWYCEWZGPEWRQ-UHFFFAOYSA-N 1 2 273.299 3.358 20 30 CGEDLO N#Cc1c(F)ccc(F)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213034578 815208567 /nfs/dbraw/zinc/20/85/67/815208567.db2.gz RQJWNUNJNWEDTE-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)/C(C)=C\CC)CC2 ZINC001268042952 808531382 /nfs/dbraw/zinc/53/13/82/808531382.db2.gz ADKAWYXEBSXNFI-ACAGNQJTSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC001268744670 808622196 /nfs/dbraw/zinc/62/21/96/808622196.db2.gz BHVGOAHDIGRTKO-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC001268744670 808622197 /nfs/dbraw/zinc/62/21/97/808622197.db2.gz BHVGOAHDIGRTKO-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001269307055 808667743 /nfs/dbraw/zinc/66/77/43/808667743.db2.gz MYOXOJQCZKVSBV-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001269307055 808667749 /nfs/dbraw/zinc/66/77/49/808667749.db2.gz MYOXOJQCZKVSBV-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO N#Cc1cc(O)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090971 815231297 /nfs/dbraw/zinc/23/12/97/815231297.db2.gz PEFPYUFKXZJWTC-UHFFFAOYSA-N 1 2 276.299 3.398 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(CC)cc1 ZINC001275985964 808982144 /nfs/dbraw/zinc/98/21/44/808982144.db2.gz HBBSAQLYWRCTDM-ZDUSSCGKSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CC)cc1 ZINC001275985964 808982145 /nfs/dbraw/zinc/98/21/45/808982145.db2.gz HBBSAQLYWRCTDM-ZDUSSCGKSA-N 1 2 294.826 3.052 20 30 CGEDLO CC(C)n1c[nH+]c2cc(Nc3cnc(C#N)cn3)ccc21 ZINC001174380669 808984456 /nfs/dbraw/zinc/98/44/56/808984456.db2.gz ITCMHNDGFZVEGJ-UHFFFAOYSA-N 1 2 278.319 3.022 20 30 CGEDLO N#Cc1cc(F)cc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174411341 809004250 /nfs/dbraw/zinc/00/42/50/809004250.db2.gz WJXIYROADFOFON-UHFFFAOYSA-N 1 2 252.252 3.269 20 30 CGEDLO C#Cc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1F ZINC001174412837 809006197 /nfs/dbraw/zinc/00/61/97/809006197.db2.gz QBMOVDZMYZYRRF-UHFFFAOYSA-N 1 2 251.264 3.379 20 30 CGEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1O ZINC001174523173 809061693 /nfs/dbraw/zinc/06/16/93/809061693.db2.gz GKOXIROZARPBFH-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO C#Cc1cc(Nc2ccccc2OCC(C)C)cc[nH+]1 ZINC001213249640 815259072 /nfs/dbraw/zinc/25/90/72/815259072.db2.gz FYJZWAIQFDHDFG-UHFFFAOYSA-N 1 2 266.344 3.263 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2(C)CCCC2)CC1 ZINC001279607522 809175938 /nfs/dbraw/zinc/17/59/38/809175938.db2.gz RICQIKXJARMLCS-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2(C)CCCC2)CC1 ZINC001279607522 809175940 /nfs/dbraw/zinc/17/59/40/809175940.db2.gz RICQIKXJARMLCS-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175712165 809517109 /nfs/dbraw/zinc/51/71/09/809517109.db2.gz HUNKHHZATNBWKA-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1F ZINC001175717388 809519024 /nfs/dbraw/zinc/51/90/24/809519024.db2.gz JBFULYVAFQZIER-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO Cc1cc(C)c(Nc2cc(C#N)c(F)cc2O)c[nH+]1 ZINC001213518453 815295862 /nfs/dbraw/zinc/29/58/62/815295862.db2.gz PIHTXKALQQZZHF-UHFFFAOYSA-N 1 2 257.268 3.158 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(C(C)(C)C#N)nc1 ZINC001176118333 809626154 /nfs/dbraw/zinc/62/61/54/809626154.db2.gz IRPMXYLEFUOETD-UHFFFAOYSA-N 1 2 268.320 3.030 20 30 CGEDLO C=CCn1cc(Nc2cccc3cc[nH+]cc32)cn1 ZINC001176545870 809714379 /nfs/dbraw/zinc/71/43/79/809714379.db2.gz IKUNOFUDVVGWRQ-UHFFFAOYSA-N 1 2 250.305 3.361 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)(C)C)cc2)cc[nH+]1 ZINC001176636910 809734606 /nfs/dbraw/zinc/73/46/06/809734606.db2.gz ASACIVFWNHBFDE-UHFFFAOYSA-N 1 2 266.344 3.406 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176748787 809756450 /nfs/dbraw/zinc/75/64/50/809756450.db2.gz BEUMDAARQITPHP-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CCCCCCC)CC1 ZINC001181120812 810038858 /nfs/dbraw/zinc/03/88/58/810038858.db2.gz CGYANFASXNCLBA-MRXNPFEDSA-N 1 2 280.456 3.313 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@@H](CC)c1ccccc1)C(=O)OC ZINC001183314113 810144404 /nfs/dbraw/zinc/14/44/04/810144404.db2.gz WZBWUTQWYOKYOJ-GDBMZVCRSA-N 1 2 275.392 3.278 20 30 CGEDLO CN(C)c1ccc(Nc2ncc(C#N)c3ccsc32)c[nH+]1 ZINC001184730697 810216423 /nfs/dbraw/zinc/21/64/23/810216423.db2.gz YXLXGTZIOZVPAL-UHFFFAOYSA-N 1 2 295.371 3.373 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)NCCc1[nH+]ccn1C ZINC001192953609 810835160 /nfs/dbraw/zinc/83/51/60/810835160.db2.gz PMFDKGQDMAUACK-AWEZNQCLSA-N 1 2 294.443 3.011 20 30 CGEDLO CCCCCCCCOC(=O)NCCCn1cc[nH+]c1 ZINC001194730578 811120077 /nfs/dbraw/zinc/12/00/77/811120077.db2.gz SODIMTRCRAALDM-UHFFFAOYSA-N 1 2 281.400 3.360 20 30 CGEDLO CCCCCCCCOC(=O)N1CCc2[nH+]ccn2CC1 ZINC001194743738 811121171 /nfs/dbraw/zinc/12/11/71/811121171.db2.gz PVGBSGFQKMSXFF-UHFFFAOYSA-N 1 2 293.411 3.238 20 30 CGEDLO CCCCCCCCCNC(=S)NCCn1cc[nH+]c1 ZINC001200369333 811682391 /nfs/dbraw/zinc/68/23/91/811682391.db2.gz SRIYHHDGZQLACV-UHFFFAOYSA-N 1 2 296.484 3.098 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(OC)c(Cl)c2)cc[nH+]1 ZINC001214963934 815470366 /nfs/dbraw/zinc/47/03/66/815470366.db2.gz LWMZBNLSRJEGHD-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO CCc1ccc[nH+]c1Nc1ccc(OC)c(C#N)c1 ZINC001214996018 815473533 /nfs/dbraw/zinc/47/35/33/815473533.db2.gz WRZDWJAICOTPDJ-UHFFFAOYSA-N 1 2 253.305 3.268 20 30 CGEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC001201295874 811810451 /nfs/dbraw/zinc/81/04/51/811810451.db2.gz VJGFMEVCXZHJPL-UHFFFAOYSA-N 1 2 262.675 3.072 20 30 CGEDLO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201559428 811902766 /nfs/dbraw/zinc/90/27/66/811902766.db2.gz JSDQJGGJMSCYLV-GXTWGEPZSA-N 1 2 267.438 3.477 20 30 CGEDLO CCCC[C@H](CC)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201559428 811902772 /nfs/dbraw/zinc/90/27/72/811902772.db2.gz JSDQJGGJMSCYLV-GXTWGEPZSA-N 1 2 267.438 3.477 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)cc2C#N)cc[nH+]1 ZINC001201682909 811936261 /nfs/dbraw/zinc/93/62/61/811936261.db2.gz IOUGVWMCJQUJDQ-UHFFFAOYSA-N 1 2 287.244 3.119 20 30 CGEDLO CNc1ccc(Nc2cc(C#N)cn2C(C)(C)C)c[nH+]1 ZINC001203448843 812362025 /nfs/dbraw/zinc/36/20/25/812362025.db2.gz MVKPFZQHXBEAPW-UHFFFAOYSA-N 1 2 269.352 3.295 20 30 CGEDLO Cn1ncc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203713305 812438938 /nfs/dbraw/zinc/43/89/38/812438938.db2.gz WVOZFUODQKVVOO-UHFFFAOYSA-N 1 2 281.363 3.026 20 30 CGEDLO Cn1cncc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001204384412 812624539 /nfs/dbraw/zinc/62/45/39/812624539.db2.gz XGIFEIZGDFUWAH-UHFFFAOYSA-N 1 2 274.412 3.249 20 30 CGEDLO Cn1cncc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001204384412 812624542 /nfs/dbraw/zinc/62/45/42/812624542.db2.gz XGIFEIZGDFUWAH-UHFFFAOYSA-N 1 2 274.412 3.249 20 30 CGEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)c1F ZINC001204990820 812811657 /nfs/dbraw/zinc/81/16/57/812811657.db2.gz GXQRMBGSYBHGOD-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO N#Cc1cc(C[NH+]2CC3(C2)CC(F)(F)CS3)ccc1F ZINC001205496735 812991409 /nfs/dbraw/zinc/99/14/09/812991409.db2.gz PCPFANJPTDPBMA-UHFFFAOYSA-N 1 2 298.333 3.024 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2nnc3ccccn32)CC1 ZINC001208170225 813723700 /nfs/dbraw/zinc/72/37/00/813723700.db2.gz GDEMSKIKCTVDNF-MRXNPFEDSA-N 1 2 296.418 3.464 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2nnc3ccccn32)CC1 ZINC001208170225 813723704 /nfs/dbraw/zinc/72/37/04/813723704.db2.gz GDEMSKIKCTVDNF-MRXNPFEDSA-N 1 2 296.418 3.464 20 30 CGEDLO COc1cc(C#N)ccc1Nc1cccn2cc(C)[nH+]c12 ZINC001209260032 813986344 /nfs/dbraw/zinc/98/63/44/813986344.db2.gz LOQZVIWLDIPZRP-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO Cc1cc(-n2cc(C#N)c3cc(N)ccc32)ccc1[NH+](C)C ZINC001210044932 814264054 /nfs/dbraw/zinc/26/40/54/814264054.db2.gz PJLKWYUDTPWCNT-UHFFFAOYSA-N 1 2 290.370 3.459 20 30 CGEDLO C=CCCCCCCCCCN1CC[NH2+]C[C@@H]1C#N ZINC001210122639 814299628 /nfs/dbraw/zinc/29/96/28/814299628.db2.gz SGJIWQULYWPSBK-INIZCTEOSA-N 1 2 263.429 3.091 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2cn3ccccc3[nH+]2)C1 ZINC001210149093 814311313 /nfs/dbraw/zinc/31/13/13/814311313.db2.gz GLXIMURAUCEXIG-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO COc1ccc(Nc2cc(C)[nH+]c(OC)c2)c(C#N)c1 ZINC001210780394 814626009 /nfs/dbraw/zinc/62/60/09/814626009.db2.gz RBRGGROQBURGMB-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(N(CC)CC)c2)cc[nH+]1 ZINC001216180831 815723607 /nfs/dbraw/zinc/72/36/07/815723607.db2.gz CXESBSGDXIRLJW-UHFFFAOYSA-N 1 2 283.350 3.214 20 30 CGEDLO CCOc1ccc(C)c([NH+]=C(NO)c2ccccc2N)c1 ZINC001216237322 815750855 /nfs/dbraw/zinc/75/08/55/815750855.db2.gz NHTXOLNFVWCFHR-UHFFFAOYSA-N 1 2 285.347 3.033 20 30 CGEDLO Cc1c(Cl)cccc1[NH+]=C(NO)c1ccccc1N ZINC001216325180 815785143 /nfs/dbraw/zinc/78/51/43/815785143.db2.gz GHGQNARQXOMPJX-UHFFFAOYSA-N 1 2 275.739 3.288 20 30 CGEDLO CCCCCCCCCCO[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001217823264 815970566 /nfs/dbraw/zinc/97/05/66/815970566.db2.gz PRFMQXSPOBHQEL-CABCVRRESA-N 1 2 285.428 3.047 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)Oc1ccc[nH+]c1N ZINC001218348431 816173904 /nfs/dbraw/zinc/17/39/04/816173904.db2.gz QCHVYRMWPFAFRF-LBPRGKRZSA-N 1 2 270.332 3.369 20 30 CGEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(C#N)c(F)c2)c[nH+]1 ZINC001219030923 816261696 /nfs/dbraw/zinc/26/16/96/816261696.db2.gz RFJZHJJDODBYEO-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO Cc1cc(C#N)cc(C)c1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001222642969 816489141 /nfs/dbraw/zinc/48/91/41/816489141.db2.gz RTXBHAPLEVMYGO-UHFFFAOYSA-N 1 2 288.354 3.482 20 30 CGEDLO Cc1c(CO)cccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243017009 823211960 /nfs/dbraw/zinc/21/19/60/823211960.db2.gz OLKRGVNIBFBMHW-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3ccoc3cn1)CC2 ZINC001232549339 818382777 /nfs/dbraw/zinc/38/27/77/818382777.db2.gz FXNNYSXWCGUSSO-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3ccoc3cn1)CC2 ZINC001232549339 818382781 /nfs/dbraw/zinc/38/27/81/818382781.db2.gz FXNNYSXWCGUSSO-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO CCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232607297 818393881 /nfs/dbraw/zinc/39/38/81/818393881.db2.gz JRCPCQGNFLOXKB-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232607297 818393888 /nfs/dbraw/zinc/39/38/88/818393888.db2.gz JRCPCQGNFLOXKB-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001232679103 818416729 /nfs/dbraw/zinc/41/67/29/818416729.db2.gz CJUHGKRHKPIJHL-QGZVFWFLSA-N 1 2 292.382 3.328 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001232679103 818416734 /nfs/dbraw/zinc/41/67/34/818416734.db2.gz CJUHGKRHKPIJHL-QGZVFWFLSA-N 1 2 292.382 3.328 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001232678502 818416856 /nfs/dbraw/zinc/41/68/56/818416856.db2.gz AXIXLRZNZULFJB-GOEBONIOSA-N 1 2 270.376 3.418 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001232678502 818416860 /nfs/dbraw/zinc/41/68/60/818416860.db2.gz AXIXLRZNZULFJB-GOEBONIOSA-N 1 2 270.376 3.418 20 30 CGEDLO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1O ZINC001232678788 818417338 /nfs/dbraw/zinc/41/73/38/818417338.db2.gz PWIAWRDQYMDQFW-UHFFFAOYSA-N 1 2 284.334 3.425 20 30 CGEDLO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1O ZINC001232678788 818417341 /nfs/dbraw/zinc/41/73/41/818417341.db2.gz PWIAWRDQYMDQFW-UHFFFAOYSA-N 1 2 284.334 3.425 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001232678910 818417848 /nfs/dbraw/zinc/41/78/48/818417848.db2.gz UPDISIUVWJNMHA-OAHLLOKOSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001232678910 818417853 /nfs/dbraw/zinc/41/78/53/818417853.db2.gz UPDISIUVWJNMHA-OAHLLOKOSA-N 1 2 296.345 3.392 20 30 CGEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCc2ccccc21 ZINC001232680783 818418759 /nfs/dbraw/zinc/41/87/59/818418759.db2.gz HMTJZXWUXMFVPE-QGZVFWFLSA-N 1 2 278.355 3.383 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@@H]1CCc2ccccc21 ZINC001232680783 818418763 /nfs/dbraw/zinc/41/87/63/818418763.db2.gz HMTJZXWUXMFVPE-QGZVFWFLSA-N 1 2 278.355 3.383 20 30 CGEDLO CC[N@H+](Cc1cccnc1)Cc1ccc(C)cc1C#N ZINC001232966968 818485776 /nfs/dbraw/zinc/48/57/76/818485776.db2.gz ZRKGDHRDKWNDDH-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO CC[N@@H+](Cc1cccnc1)Cc1ccc(C)cc1C#N ZINC001232966968 818485781 /nfs/dbraw/zinc/48/57/81/818485781.db2.gz ZRKGDHRDKWNDDH-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233047354 818507705 /nfs/dbraw/zinc/50/77/05/818507705.db2.gz XHTZHTULZNOHJT-MRXNPFEDSA-N 1 2 281.359 3.232 20 30 CGEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1[nH]ccc1C#N ZINC001233047354 818507712 /nfs/dbraw/zinc/50/77/12/818507712.db2.gz XHTZHTULZNOHJT-MRXNPFEDSA-N 1 2 281.359 3.232 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1F ZINC001233118513 818524245 /nfs/dbraw/zinc/52/42/45/818524245.db2.gz KUZHFLQAAWVDJG-UHFFFAOYSA-N 1 2 299.393 3.475 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1F ZINC001233118513 818524249 /nfs/dbraw/zinc/52/42/49/818524249.db2.gz KUZHFLQAAWVDJG-UHFFFAOYSA-N 1 2 299.393 3.475 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(C(F)(F)F)c1O ZINC001233418187 818615770 /nfs/dbraw/zinc/61/57/70/818615770.db2.gz WTSFZUFIQHUOBJ-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(C(F)(F)F)c1O ZINC001233418187 818615773 /nfs/dbraw/zinc/61/57/73/818615773.db2.gz WTSFZUFIQHUOBJ-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235094663 819001373 /nfs/dbraw/zinc/00/13/73/819001373.db2.gz DHGZGDVNWPYOQB-INIZCTEOSA-N 1 2 269.392 3.022 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235094663 819001378 /nfs/dbraw/zinc/00/13/78/819001378.db2.gz DHGZGDVNWPYOQB-INIZCTEOSA-N 1 2 269.392 3.022 20 30 CGEDLO CCN(CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236924126 819637269 /nfs/dbraw/zinc/63/72/69/819637269.db2.gz YVTDNURLGCFJTB-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO CC(C)(C)Oc1ccccc1C[NH+]1CC(CC#N)C1 ZINC001237025059 819646338 /nfs/dbraw/zinc/64/63/38/819646338.db2.gz AYVYNZATIXTGAD-UHFFFAOYSA-N 1 2 258.365 3.209 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237094024 819665093 /nfs/dbraw/zinc/66/50/93/819665093.db2.gz ACKNBPKQOOGJFV-UHFFFAOYSA-N 1 2 275.371 3.161 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237094024 819665104 /nfs/dbraw/zinc/66/51/04/819665104.db2.gz ACKNBPKQOOGJFV-UHFFFAOYSA-N 1 2 275.371 3.161 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127247 819673260 /nfs/dbraw/zinc/67/32/60/819673260.db2.gz XRNRONPHSDWSEI-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127247 819673262 /nfs/dbraw/zinc/67/32/62/819673262.db2.gz XRNRONPHSDWSEI-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237664770 819800455 /nfs/dbraw/zinc/80/04/55/819800455.db2.gz ZVHPSFNJCUXHER-UHFFFAOYSA-N 1 2 266.344 3.405 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237664770 819800461 /nfs/dbraw/zinc/80/04/61/819800461.db2.gz ZVHPSFNJCUXHER-UHFFFAOYSA-N 1 2 266.344 3.405 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798641 819844856 /nfs/dbraw/zinc/84/48/56/819844856.db2.gz JSDHGQNAODBEDS-JTQLQIEISA-N 1 2 267.731 3.030 20 30 CGEDLO N#CCOc1ccccc1-c1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001243585539 823456193 /nfs/dbraw/zinc/45/61/93/823456193.db2.gz QNHFMDMPJQQZCJ-UHFFFAOYSA-N 1 2 293.248 3.252 20 30 CGEDLO CCCCCCCNC(=S)N1CC[NH2+]C2=CCCC[C@@H]21 ZINC001239463706 820315668 /nfs/dbraw/zinc/31/56/68/820315668.db2.gz XZYBOVBFYJDWRV-HNNXBMFYSA-N 1 2 295.496 3.173 20 30 CGEDLO N#CCc1cnc(F)c(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243663059 823478987 /nfs/dbraw/zinc/47/89/87/823478987.db2.gz SXNRZJNCLJTWIX-UHFFFAOYSA-N 1 2 292.317 3.199 20 30 CGEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1F ZINC001240146200 820854247 /nfs/dbraw/zinc/85/42/47/820854247.db2.gz XOOPXWFBRJMPGM-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#Cc1ncc(-c2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC001240219552 820895817 /nfs/dbraw/zinc/89/58/17/820895817.db2.gz MUHAAKKIVHOZJB-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#CC1(c2ccc(-c3ccn4cc[nH+]c4c3)nc2)CCC1 ZINC001240495959 821091460 /nfs/dbraw/zinc/09/14/60/821091460.db2.gz BOOZMWVFLMDNKN-UHFFFAOYSA-N 1 2 274.327 3.342 20 30 CGEDLO N#Cc1cc(-c2ccn3cc[nH+]c3c2)nc2ccccc12 ZINC001240504600 821100823 /nfs/dbraw/zinc/10/08/23/821100823.db2.gz SCWIUVZGOKPWEQ-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO Cc1cc(-c2cc(F)cc(C#N)c2)c2[nH+]ccn2c1 ZINC001241658900 822035242 /nfs/dbraw/zinc/03/52/42/822035242.db2.gz ZRAQRNSJTNQWPN-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2cccnc2C#N)cc1 ZINC001242311751 822947821 /nfs/dbraw/zinc/94/78/21/822947821.db2.gz FZQFXQXTAHWEDE-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3cc(C)cc(C#N)c3)nn2)c1C ZINC001242478157 823006476 /nfs/dbraw/zinc/00/64/76/823006476.db2.gz AFTJDFFVKQRENM-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C[C@H](O)c1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001242548359 823027103 /nfs/dbraw/zinc/02/71/03/823027103.db2.gz BVBXHNRAPADSFN-DZUMZMOTSA-N 1 2 293.370 3.500 20 30 CGEDLO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccco1 ZINC001341044708 936425833 /nfs/dbraw/zinc/42/58/33/936425833.db2.gz MGWBCDAQCUSZJD-CQSZACIVSA-N 1 2 290.750 3.282 20 30 CGEDLO CCn1c2ccccc2nc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC001353232448 937060926 /nfs/dbraw/zinc/06/09/26/937060926.db2.gz TWVXTSAHEYHTGW-UONOGXRCSA-N 1 2 295.390 3.150 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001473886725 937827575 /nfs/dbraw/zinc/82/75/75/937827575.db2.gz HVBMUJSTYIDQNM-AWEZNQCLSA-N 1 2 251.757 3.203 20 30 CGEDLO C=C(Cl)C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001473886725 937827577 /nfs/dbraw/zinc/82/75/77/937827577.db2.gz HVBMUJSTYIDQNM-AWEZNQCLSA-N 1 2 251.757 3.203 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001481709880 927068358 /nfs/dbraw/zinc/06/83/58/927068358.db2.gz DCIIWBOQVLJFDK-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001481709880 927068372 /nfs/dbraw/zinc/06/83/72/927068372.db2.gz DCIIWBOQVLJFDK-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO COc1cc(-c2ccccc2)ccc1C[NH2+]CCC#N ZINC000426003249 927111823 /nfs/dbraw/zinc/11/18/23/927111823.db2.gz RNMUGLILDVWPDS-UHFFFAOYSA-N 1 2 266.344 3.365 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001483370366 927490078 /nfs/dbraw/zinc/49/00/78/927490078.db2.gz UGDXIIDUFLPYBR-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001483370366 927490087 /nfs/dbraw/zinc/49/00/87/927490087.db2.gz UGDXIIDUFLPYBR-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001486178194 927996242 /nfs/dbraw/zinc/99/62/42/927996242.db2.gz SITFRDORLRHRHS-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001486178194 927996247 /nfs/dbraw/zinc/99/62/47/927996247.db2.gz SITFRDORLRHRHS-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(OCC#N)cc1 ZINC001212605273 928142256 /nfs/dbraw/zinc/14/22/56/928142256.db2.gz UERARAYZZVJVOV-UHFFFAOYSA-N 1 2 269.304 3.126 20 30 CGEDLO CCC#C[C@@H](C)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001460568753 937535397 /nfs/dbraw/zinc/53/53/97/937535397.db2.gz SQVJEMAAAGTYMD-MRXNPFEDSA-N 1 2 295.430 3.087 20 30 CGEDLO CCC#C[C@H](C)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC001460568750 937535452 /nfs/dbraw/zinc/53/54/52/937535452.db2.gz SQVJEMAAAGTYMD-INIZCTEOSA-N 1 2 295.430 3.087 20 30 CGEDLO Cc1[nH]c([C@H]2CCCN2CC#Cc2ccc(F)cc2)[nH+]c1C ZINC001460754684 937543887 /nfs/dbraw/zinc/54/38/87/937543887.db2.gz ACZXCQPSWZUYQY-QGZVFWFLSA-N 1 2 297.377 3.354 20 30 CGEDLO CN(C)c1ccc(NC(C)(C)c2ccc(C#N)cc2)[nH+]c1 ZINC001165759384 931995245 /nfs/dbraw/zinc/99/52/45/931995245.db2.gz ARJRWWKBJFJWQH-UHFFFAOYSA-N 1 2 280.375 3.366 20 30 CGEDLO COc1cccc(F)c1C[NH2+]Cc1csc(C#N)c1 ZINC001461782225 937597287 /nfs/dbraw/zinc/59/72/87/937597287.db2.gz HFBJGPASFFPDTM-UHFFFAOYSA-N 1 2 276.336 3.057 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](C)c1cccc(Cl)c1 ZINC001461842880 937601125 /nfs/dbraw/zinc/60/11/25/937601125.db2.gz MAGWKKXMINKNCR-ZDUSSCGKSA-N 1 2 295.810 3.495 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](C)c1cccc(Cl)c1 ZINC001461842880 937601126 /nfs/dbraw/zinc/60/11/26/937601126.db2.gz MAGWKKXMINKNCR-ZDUSSCGKSA-N 1 2 295.810 3.495 20 30 CGEDLO C#CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910591 933019395 /nfs/dbraw/zinc/01/93/95/933019395.db2.gz YJYGMXRZAFEDDN-HZPDHXFCSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910591 933019402 /nfs/dbraw/zinc/01/94/02/933019402.db2.gz YJYGMXRZAFEDDN-HZPDHXFCSA-N 1 2 293.451 3.480 20 30 CGEDLO C=C(C)CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001464072928 937685476 /nfs/dbraw/zinc/68/54/76/937685476.db2.gz KFTNGPJCHGGGBG-UHFFFAOYSA-N 1 2 255.321 3.167 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1c(C)oc(C)c1C ZINC001317485720 933603368 /nfs/dbraw/zinc/60/33/68/933603368.db2.gz XAPUKBFSISCHCA-UHFFFAOYSA-N 1 2 298.814 3.009 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1c(C)oc(C)c1C ZINC001317485720 933603369 /nfs/dbraw/zinc/60/33/69/933603369.db2.gz XAPUKBFSISCHCA-UHFFFAOYSA-N 1 2 298.814 3.009 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=C)Cl ZINC001317503877 933607231 /nfs/dbraw/zinc/60/72/31/933607231.db2.gz CDMQCNSWUOIYTD-HNNXBMFYSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=C)Cl ZINC001317503877 933607238 /nfs/dbraw/zinc/60/72/38/933607238.db2.gz CDMQCNSWUOIYTD-HNNXBMFYSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)CCC1CCCC1)C1CC1 ZINC001317544376 933615392 /nfs/dbraw/zinc/61/53/92/933615392.db2.gz GGGYBSQGIBAGNX-UHFFFAOYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCC1CCCC1)C1CC1 ZINC001317544376 933615397 /nfs/dbraw/zinc/61/53/97/933615397.db2.gz GGGYBSQGIBAGNX-UHFFFAOYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OCC ZINC001474667099 933632068 /nfs/dbraw/zinc/63/20/68/933632068.db2.gz HQPJTHVTNJSJDW-ZDUSSCGKSA-N 1 2 285.815 3.373 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C=C1CCCCC1 ZINC001319979252 933972211 /nfs/dbraw/zinc/97/22/11/933972211.db2.gz SMWHQATXGNDWJP-UHFFFAOYSA-N 1 2 284.831 3.020 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C=C1CCCCC1 ZINC001319979252 933972219 /nfs/dbraw/zinc/97/22/19/933972219.db2.gz SMWHQATXGNDWJP-UHFFFAOYSA-N 1 2 284.831 3.020 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC)CC(C)C ZINC001322274637 934269237 /nfs/dbraw/zinc/26/92/37/934269237.db2.gz PBMNXOQPUKUMRE-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)CC(C)C ZINC001322274637 934269248 /nfs/dbraw/zinc/26/92/48/934269248.db2.gz PBMNXOQPUKUMRE-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(F)c(F)c1 ZINC001323545178 934406298 /nfs/dbraw/zinc/40/62/98/934406298.db2.gz NBUQWGQUMBLASW-SOFGYWHQSA-N 1 2 288.297 3.322 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001473209034 937797831 /nfs/dbraw/zinc/79/78/31/937797831.db2.gz KVSYLNVIUGZMPC-IEBWSBKVSA-N 1 2 299.414 3.084 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001473209034 937797833 /nfs/dbraw/zinc/79/78/33/937797833.db2.gz KVSYLNVIUGZMPC-IEBWSBKVSA-N 1 2 299.414 3.084 20 30 CGEDLO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001337509840 936265467 /nfs/dbraw/zinc/26/54/67/936265467.db2.gz MVTMWWHKFDLSOG-UHFFFAOYSA-N 1 2 293.370 3.174 20 30 CGEDLO N#Cc1cc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cs1 ZINC001474109591 937841052 /nfs/dbraw/zinc/84/10/52/937841052.db2.gz LGAOSGHQZGAEOR-GFCCVEGCSA-N 1 2 292.310 3.121 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC001474250637 937846292 /nfs/dbraw/zinc/84/62/92/937846292.db2.gz GYRDKEFXXVSWLZ-CYBMUJFWSA-N 1 2 285.416 3.320 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC001474250610 937846577 /nfs/dbraw/zinc/84/65/77/937846577.db2.gz FJMKECHEWPYVBB-AWEZNQCLSA-N 1 2 281.359 3.052 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2)cc1OC ZINC001474356022 937854254 /nfs/dbraw/zinc/85/42/54/937854254.db2.gz XYZUDRUPHWWLAK-UHFFFAOYSA-N 1 2 289.378 3.431 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC2CCCCC2)C1 ZINC001506592986 937990819 /nfs/dbraw/zinc/99/08/19/937990819.db2.gz MTVZDDFODMABCI-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1oc(-c2ccccc2)nc1C ZINC001559566639 938229795 /nfs/dbraw/zinc/22/97/95/938229795.db2.gz KHYGKTZHCIBEKF-UHFFFAOYSA-N 1 2 278.355 3.109 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1oc(-c2ccccc2)nc1C ZINC001559566639 938229796 /nfs/dbraw/zinc/22/97/96/938229796.db2.gz KHYGKTZHCIBEKF-UHFFFAOYSA-N 1 2 278.355 3.109 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC001560164552 938245708 /nfs/dbraw/zinc/24/57/08/938245708.db2.gz BEZPUIDEFSFJJS-UHFFFAOYSA-N 1 2 299.201 3.276 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC001560164552 938245709 /nfs/dbraw/zinc/24/57/09/938245709.db2.gz BEZPUIDEFSFJJS-UHFFFAOYSA-N 1 2 299.201 3.276 20 30 CGEDLO CSCc1cc[nH+]c(N2CCc3cc(C#N)ccc3C2)c1 ZINC001164484204 958839912 /nfs/dbraw/zinc/83/99/12/958839912.db2.gz CKVDCXVDFYGPPS-UHFFFAOYSA-N 1 2 295.411 3.379 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244091283 960416934 /nfs/dbraw/zinc/41/69/34/960416934.db2.gz NFNVEVZYFBAOKW-UHFFFAOYSA-N 1 2 274.327 3.208 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001567342178 960593893 /nfs/dbraw/zinc/59/38/93/960593893.db2.gz BNANMBGGBYREEV-OCCSQVGLSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001567342178 960593906 /nfs/dbraw/zinc/59/39/06/960593906.db2.gz BNANMBGGBYREEV-OCCSQVGLSA-N 1 2 286.847 3.003 20 30 CGEDLO N#Cc1c(F)cccc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000589820518 346812858 /nfs/dbraw/zinc/81/28/58/346812858.db2.gz USSGNWNCGGFAES-OAHLLOKOSA-N 1 2 284.338 3.148 20 30 CGEDLO CC(F)(F)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590260836 346838502 /nfs/dbraw/zinc/83/85/02/346838502.db2.gz LESBRDDZFIJJKU-ZDUSSCGKSA-N 1 2 250.292 3.180 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1csnn1 ZINC000591256106 346912336 /nfs/dbraw/zinc/91/23/36/346912336.db2.gz IBQHTYSMFWECSL-YGRLFVJLSA-N 1 2 284.388 3.138 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591348833 346916870 /nfs/dbraw/zinc/91/68/70/346916870.db2.gz HLZVNBXTHNWQJC-DIFFPNOSSA-N 1 2 280.375 3.318 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1F ZINC000591504258 346927109 /nfs/dbraw/zinc/92/71/09/346927109.db2.gz ICFQOHNOTOVLQS-UHFFFAOYSA-N 1 2 268.282 3.365 20 30 CGEDLO CCC(CC)c1cc(C[NH2+]C[C@@H](C#N)CCC#N)on1 ZINC000591745338 346934570 /nfs/dbraw/zinc/93/45/70/346934570.db2.gz SXQKPUJMJGPAQC-GFCCVEGCSA-N 1 2 274.368 3.111 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592082535 346961314 /nfs/dbraw/zinc/96/13/14/346961314.db2.gz LZBPDILVVUIVDP-LBPRGKRZSA-N 1 2 267.332 3.272 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592082535 346961316 /nfs/dbraw/zinc/96/13/16/346961316.db2.gz LZBPDILVVUIVDP-LBPRGKRZSA-N 1 2 267.332 3.272 20 30 CGEDLO CC[C@](C)([NH2+]Cc1ccncc1C#N)c1nc(C)cs1 ZINC000592083897 346961616 /nfs/dbraw/zinc/96/16/16/346961616.db2.gz RWFJWFAQNOFYKF-HNNXBMFYSA-N 1 2 286.404 3.133 20 30 CGEDLO COCc1cccc(C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593127888 347043929 /nfs/dbraw/zinc/04/39/29/347043929.db2.gz WWOYQGJUCFQOPV-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO COCc1cccc(C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593127888 347043931 /nfs/dbraw/zinc/04/39/31/347043931.db2.gz WWOYQGJUCFQOPV-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO COc1cc(CNc2cc(C)c[nH+]c2C)ccc1C#N ZINC000593221394 347053156 /nfs/dbraw/zinc/05/31/56/347053156.db2.gz BIHDRLOQCZGFLP-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO COc1ccc(C([NH2+]CCC#N)c2ccc(OC)cc2)cc1 ZINC000030536308 344922608 /nfs/dbraw/zinc/92/26/08/344922608.db2.gz ZHUFEJJOVLFGTH-UHFFFAOYSA-N 1 2 296.370 3.296 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)Cc1ccccc1 ZINC000064140878 345258037 /nfs/dbraw/zinc/25/80/37/345258037.db2.gz KAWVSILYABISAB-UHFFFAOYSA-N 1 2 256.349 3.480 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)Cc1ccccc1 ZINC000064140878 345258038 /nfs/dbraw/zinc/25/80/38/345258038.db2.gz KAWVSILYABISAB-UHFFFAOYSA-N 1 2 256.349 3.480 20 30 CGEDLO C=CCNC(=O)C[N@@H+](CCCC)Cc1ccccc1Cl ZINC000064807412 345265003 /nfs/dbraw/zinc/26/50/03/345265003.db2.gz PIUSPKICZMLLFH-UHFFFAOYSA-N 1 2 294.826 3.244 20 30 CGEDLO C=CCNC(=O)C[N@H+](CCCC)Cc1ccccc1Cl ZINC000064807412 345265004 /nfs/dbraw/zinc/26/50/04/345265004.db2.gz PIUSPKICZMLLFH-UHFFFAOYSA-N 1 2 294.826 3.244 20 30 CGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066435841 345294767 /nfs/dbraw/zinc/29/47/67/345294767.db2.gz ZKPONCFAASPVTJ-GOSISDBHSA-N 1 2 296.370 3.332 20 30 CGEDLO N#Cc1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000066435841 345294769 /nfs/dbraw/zinc/29/47/69/345294769.db2.gz ZKPONCFAASPVTJ-GOSISDBHSA-N 1 2 296.370 3.332 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000068608773 345357034 /nfs/dbraw/zinc/35/70/34/345357034.db2.gz CBQUUQYMLKXFRA-NSHDSACASA-N 1 2 257.362 3.202 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1c(F)cccc1F ZINC000072691448 345415851 /nfs/dbraw/zinc/41/58/51/345415851.db2.gz CKKUTTGBSFURBR-OAHLLOKOSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1c(F)cccc1F ZINC000072691448 345415853 /nfs/dbraw/zinc/41/58/53/345415853.db2.gz CKKUTTGBSFURBR-OAHLLOKOSA-N 1 2 296.361 3.260 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000093841162 345889000 /nfs/dbraw/zinc/88/90/00/345889000.db2.gz HMRIQFXRASIUQU-SFHVURJKSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000093841162 345889001 /nfs/dbraw/zinc/88/90/01/345889001.db2.gz HMRIQFXRASIUQU-SFHVURJKSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CC1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000110595446 345946065 /nfs/dbraw/zinc/94/60/65/345946065.db2.gz WIIHCDYMOVNCSY-UHFFFAOYSA-N 1 2 280.375 3.249 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1Br ZINC000134969835 346084913 /nfs/dbraw/zinc/08/49/13/346084913.db2.gz IDRFARNWSRDPMW-MRVPVSSYSA-N 1 2 287.588 3.494 20 30 CGEDLO CC(C)c1nc(N[C@@H]2CC[C@H](C#N)C2)cc(C(C)(C)C)[nH+]1 ZINC000425274984 346614052 /nfs/dbraw/zinc/61/40/52/346614052.db2.gz SMGXFLKUHXVPFK-QWHCGFSZSA-N 1 2 286.423 3.424 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119190666 370652432 /nfs/dbraw/zinc/65/24/32/370652432.db2.gz XCXAYHHNWZWVEM-AWEZNQCLSA-N 1 2 288.391 3.006 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119190666 370652436 /nfs/dbraw/zinc/65/24/36/370652436.db2.gz XCXAYHHNWZWVEM-AWEZNQCLSA-N 1 2 288.391 3.006 20 30 CGEDLO CC(C)(C#N)c1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000593943949 347120680 /nfs/dbraw/zinc/12/06/80/347120680.db2.gz GERQXXXCXCZSSC-UHFFFAOYSA-N 1 2 269.323 3.056 20 30 CGEDLO CC(C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594032413 347140927 /nfs/dbraw/zinc/14/09/27/347140927.db2.gz HGOYGGZPEPTNFP-UHFFFAOYSA-N 1 2 296.374 3.234 20 30 CGEDLO CCOc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)ccc1O ZINC000594613660 347203766 /nfs/dbraw/zinc/20/37/66/347203766.db2.gz QMPUBCUUQRRTDK-UHFFFAOYSA-N 1 2 294.354 3.178 20 30 CGEDLO CCOc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)ccc1O ZINC000594613660 347203768 /nfs/dbraw/zinc/20/37/68/347203768.db2.gz QMPUBCUUQRRTDK-UHFFFAOYSA-N 1 2 294.354 3.178 20 30 CGEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(C#N)s1 ZINC000595001434 347253031 /nfs/dbraw/zinc/25/30/31/347253031.db2.gz UJBWHHUDZQALDA-UHFFFAOYSA-N 1 2 258.337 3.391 20 30 CGEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(F)c1 ZINC000594981131 347247773 /nfs/dbraw/zinc/24/77/73/347247773.db2.gz HLIZOPYZRQXDNE-UHFFFAOYSA-N 1 2 271.339 3.261 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cn1 ZINC000595090625 347280514 /nfs/dbraw/zinc/28/05/14/347280514.db2.gz JLPXHBWEKZCJLS-LBPRGKRZSA-N 1 2 261.344 3.345 20 30 CGEDLO Cc1ccccc1C(F)(F)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595094523 347281949 /nfs/dbraw/zinc/28/19/49/347281949.db2.gz LGGQOGAWRYEFEE-OLZOCXBDSA-N 1 2 264.319 3.369 20 30 CGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616089 347327623 /nfs/dbraw/zinc/32/76/23/347327623.db2.gz OYYIXARPBFUQPU-STQMWFEESA-N 1 2 296.374 3.022 20 30 CGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616089 347327626 /nfs/dbraw/zinc/32/76/26/347327626.db2.gz OYYIXARPBFUQPU-STQMWFEESA-N 1 2 296.374 3.022 20 30 CGEDLO CC(C)([NH2+]Cc1ncc(C2CC2)o1)c1cccc(C#N)c1 ZINC000595640118 347331902 /nfs/dbraw/zinc/33/19/02/347331902.db2.gz NUKYEIUPACCTPC-UHFFFAOYSA-N 1 2 281.359 3.449 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000595815715 347359374 /nfs/dbraw/zinc/35/93/74/347359374.db2.gz RCPWXFCYZQMUPR-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H](C#N)[N@H+](CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000595711355 347345050 /nfs/dbraw/zinc/34/50/50/347345050.db2.gz ZHBWYHJWSBVQAS-HIFRSBDPSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@H](C#N)[N@@H+](CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000595711355 347345055 /nfs/dbraw/zinc/34/50/55/347345055.db2.gz ZHBWYHJWSBVQAS-HIFRSBDPSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000595815715 347359376 /nfs/dbraw/zinc/35/93/76/347359376.db2.gz RCPWXFCYZQMUPR-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595758871 347351593 /nfs/dbraw/zinc/35/15/93/347351593.db2.gz JNRZFZWRYIXNLY-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000595758871 347351598 /nfs/dbraw/zinc/35/15/98/347351598.db2.gz JNRZFZWRYIXNLY-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000595781078 347354982 /nfs/dbraw/zinc/35/49/82/347354982.db2.gz QUMGQZUQIJMMIZ-NEPJUHHUSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000595781078 347354985 /nfs/dbraw/zinc/35/49/85/347354985.db2.gz QUMGQZUQIJMMIZ-NEPJUHHUSA-N 1 2 278.783 3.211 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000595549466 347317982 /nfs/dbraw/zinc/31/79/82/347317982.db2.gz KDKUPVQBKZXSRS-LLVKDONJSA-N 1 2 269.348 3.356 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000595549466 347317987 /nfs/dbraw/zinc/31/79/87/347317987.db2.gz KDKUPVQBKZXSRS-LLVKDONJSA-N 1 2 269.348 3.356 20 30 CGEDLO C=CCC1(CNc2cc(CC(=O)OC)cc[nH+]2)CCCC1 ZINC000596257156 347406270 /nfs/dbraw/zinc/40/62/70/347406270.db2.gz JDHJRPZRFYHWKZ-UHFFFAOYSA-N 1 2 288.391 3.346 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1SC ZINC000595840975 347365711 /nfs/dbraw/zinc/36/57/11/347365711.db2.gz SMBNUBHWPYHSHT-OAHLLOKOSA-N 1 2 276.405 3.153 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1SC ZINC000595840975 347365714 /nfs/dbraw/zinc/36/57/14/347365714.db2.gz SMBNUBHWPYHSHT-OAHLLOKOSA-N 1 2 276.405 3.153 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842861 347366584 /nfs/dbraw/zinc/36/65/84/347366584.db2.gz HUJCISMVNQHTCK-WFASDCNBSA-N 1 2 273.336 3.200 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842861 347366587 /nfs/dbraw/zinc/36/65/87/347366587.db2.gz HUJCISMVNQHTCK-WFASDCNBSA-N 1 2 273.336 3.200 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1ccccc1F ZINC000595846017 347367318 /nfs/dbraw/zinc/36/73/18/347367318.db2.gz ZHWMXHOKIPTGQL-ZENOOKHLSA-N 1 2 289.350 3.223 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1ccccc1F ZINC000595846017 347367320 /nfs/dbraw/zinc/36/73/20/347367320.db2.gz ZHWMXHOKIPTGQL-ZENOOKHLSA-N 1 2 289.350 3.223 20 30 CGEDLO N#Cc1c(F)cccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596358509 347432160 /nfs/dbraw/zinc/43/21/60/347432160.db2.gz WSRUNCYFQIIIRN-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO CCc1[nH+]c2ccccc2n1Cc1noc([C@H](C)CC#N)n1 ZINC000596589766 347483747 /nfs/dbraw/zinc/48/37/47/347483747.db2.gz AUFMUULWZKUJRZ-LLVKDONJSA-N 1 2 295.346 3.047 20 30 CGEDLO Cc1ccc2[nH+]ccc(N3CC[C@](C)(C#N)C3)c2c1 ZINC000596531070 347475556 /nfs/dbraw/zinc/47/55/56/347475556.db2.gz HWXBORXJOBKEBI-MRXNPFEDSA-N 1 2 251.333 3.283 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC2CC2)c1F)C[C@@H](C)C#N ZINC000596991416 347525654 /nfs/dbraw/zinc/52/56/54/347525654.db2.gz LVAGGOJPEUMKCW-LBPRGKRZSA-N 1 2 276.355 3.348 20 30 CGEDLO CC[N@H+](Cc1cccc(OC2CC2)c1F)C[C@@H](C)C#N ZINC000596991416 347525658 /nfs/dbraw/zinc/52/56/58/347525658.db2.gz LVAGGOJPEUMKCW-LBPRGKRZSA-N 1 2 276.355 3.348 20 30 CGEDLO Cc1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000597178157 347545157 /nfs/dbraw/zinc/54/51/57/347545157.db2.gz VZNSLRIZYHUQLH-LBPRGKRZSA-N 1 2 264.319 3.399 20 30 CGEDLO Cc1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000597178157 347545158 /nfs/dbraw/zinc/54/51/58/347545158.db2.gz VZNSLRIZYHUQLH-LBPRGKRZSA-N 1 2 264.319 3.399 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(F)c2OC(F)F)CCC1 ZINC000597152739 347540514 /nfs/dbraw/zinc/54/05/14/347540514.db2.gz CTELNMRBIYMVMI-UHFFFAOYSA-N 1 2 284.281 3.211 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000597228150 347557699 /nfs/dbraw/zinc/55/76/99/347557699.db2.gz ADZYLPHAKLEFLY-AWEZNQCLSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000597228150 347557702 /nfs/dbraw/zinc/55/77/02/347557702.db2.gz ADZYLPHAKLEFLY-AWEZNQCLSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599629001 347759371 /nfs/dbraw/zinc/75/93/71/347759371.db2.gz WRMBLRQXSCVMFM-SNVBAGLBSA-N 1 2 295.289 3.086 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599629001 347759374 /nfs/dbraw/zinc/75/93/74/347759374.db2.gz WRMBLRQXSCVMFM-SNVBAGLBSA-N 1 2 295.289 3.086 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](C(=O)OC)c1ccc(F)cc1 ZINC000600602689 347813011 /nfs/dbraw/zinc/81/30/11/347813011.db2.gz WRFIJWRUWIWDFE-AWEZNQCLSA-N 1 2 279.355 3.232 20 30 CGEDLO COCCCCNc1ccc(-c2ccc(F)cc2C#N)c[nH+]1 ZINC000600789560 347836263 /nfs/dbraw/zinc/83/62/63/347836263.db2.gz SHTMXAQFEIIDQE-UHFFFAOYSA-N 1 2 299.349 3.020 20 30 CGEDLO N#CCCCCCC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601651434 347902589 /nfs/dbraw/zinc/90/25/89/347902589.db2.gz FWTZGQBUWCPBGG-UHFFFAOYSA-N 1 2 296.374 3.167 20 30 CGEDLO N#CCC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000601969528 347930704 /nfs/dbraw/zinc/93/07/04/347930704.db2.gz USMINNVUSVKKQJ-KRWDZBQOSA-N 1 2 265.360 3.259 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000602027660 347934701 /nfs/dbraw/zinc/93/47/01/347934701.db2.gz HTJVADWPWYWOTF-UHFFFAOYSA-N 1 2 271.339 3.261 20 30 CGEDLO CC(C)C[C@H](C(=O)N(C)c1cccc(C#N)c1)n1cc[nH+]c1 ZINC000602081088 347935905 /nfs/dbraw/zinc/93/59/05/347935905.db2.gz ZQJYZCOUYCPVIH-MRXNPFEDSA-N 1 2 296.374 3.005 20 30 CGEDLO CC[C@@H](C)[C@@H](C[N@H+](CCC#N)Cc1ccco1)OC ZINC000602435002 347957405 /nfs/dbraw/zinc/95/74/05/347957405.db2.gz RWUUUBMRPNJABL-UKRRQHHQSA-N 1 2 264.369 3.056 20 30 CGEDLO CC[C@@H](C)[C@@H](C[N@@H+](CCC#N)Cc1ccco1)OC ZINC000602435002 347957408 /nfs/dbraw/zinc/95/74/08/347957408.db2.gz RWUUUBMRPNJABL-UKRRQHHQSA-N 1 2 264.369 3.056 20 30 CGEDLO C[C@@H](CCC#N)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000602593440 347990424 /nfs/dbraw/zinc/99/04/24/347990424.db2.gz KVNGQZLLTCAGCQ-AWEZNQCLSA-N 1 2 272.396 3.424 20 30 CGEDLO Cc1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000602693049 348010435 /nfs/dbraw/zinc/01/04/35/348010435.db2.gz AFOCVPNIGPTLDT-OAHLLOKOSA-N 1 2 267.332 3.022 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccncc2Br)CCCC1 ZINC000602699104 348012199 /nfs/dbraw/zinc/01/21/99/348012199.db2.gz JFTAAQLCLLBPFE-UHFFFAOYSA-N 1 2 294.196 3.018 20 30 CGEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000602786819 348029687 /nfs/dbraw/zinc/02/96/87/348029687.db2.gz YBOYSBOIFZZWES-CZUORRHYSA-N 1 2 288.366 3.281 20 30 CGEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000602786819 348029689 /nfs/dbraw/zinc/02/96/89/348029689.db2.gz YBOYSBOIFZZWES-CZUORRHYSA-N 1 2 288.366 3.281 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]Cc1cc2ccc(C)cc2[nH]1)C(=O)OC ZINC000602738512 348021587 /nfs/dbraw/zinc/02/15/87/348021587.db2.gz LMTFGFVRORGQFA-MRXNPFEDSA-N 1 2 286.375 3.074 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000602845543 348036496 /nfs/dbraw/zinc/03/64/96/348036496.db2.gz JQQKLLPDGCFYCM-LBPRGKRZSA-N 1 2 296.374 3.402 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000602845543 348036498 /nfs/dbraw/zinc/03/64/98/348036498.db2.gz JQQKLLPDGCFYCM-LBPRGKRZSA-N 1 2 296.374 3.402 20 30 CGEDLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)CC#N ZINC000602861984 348037741 /nfs/dbraw/zinc/03/77/41/348037741.db2.gz KBSLFLJEAXZHAR-SECBINFHSA-N 1 2 261.350 3.103 20 30 CGEDLO COc1cccc(-c2nc(C[NH2+][C@@H](C)CC#N)cs2)c1 ZINC000602866089 348038209 /nfs/dbraw/zinc/03/82/09/348038209.db2.gz YGSHKEYKYGQAGX-NSHDSACASA-N 1 2 287.388 3.210 20 30 CGEDLO C[N@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[C@H]1C#N ZINC000602974788 348048634 /nfs/dbraw/zinc/04/86/34/348048634.db2.gz UDZBQHILCSGLFA-AAEUAGOBSA-N 1 2 280.318 3.412 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[C@H]1C#N ZINC000602974788 348048635 /nfs/dbraw/zinc/04/86/35/348048635.db2.gz UDZBQHILCSGLFA-AAEUAGOBSA-N 1 2 280.318 3.412 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000602981565 348051700 /nfs/dbraw/zinc/05/17/00/348051700.db2.gz GEJLJSZBLYSMOZ-QWHCGFSZSA-N 1 2 261.369 3.060 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000602981565 348051703 /nfs/dbraw/zinc/05/17/03/348051703.db2.gz GEJLJSZBLYSMOZ-QWHCGFSZSA-N 1 2 261.369 3.060 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc(C#N)c1 ZINC000611388074 348443420 /nfs/dbraw/zinc/44/34/20/348443420.db2.gz WKCUCMAVUPSLQX-NSHDSACASA-N 1 2 294.314 3.052 20 30 CGEDLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1cccc(C#N)c1 ZINC000611386067 348443495 /nfs/dbraw/zinc/44/34/95/348443495.db2.gz BRDJCAASIIBDOC-NSHDSACASA-N 1 2 267.332 3.274 20 30 CGEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611727545 348471972 /nfs/dbraw/zinc/47/19/72/348471972.db2.gz YPYCWIJDBYIIMA-XJKSGUPXSA-N 1 2 288.391 3.187 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000612406750 348517651 /nfs/dbraw/zinc/51/76/51/348517651.db2.gz SJOJJOFBGDTLIA-MRXNPFEDSA-N 1 2 294.345 3.456 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000612406750 348517652 /nfs/dbraw/zinc/51/76/52/348517652.db2.gz SJOJJOFBGDTLIA-MRXNPFEDSA-N 1 2 294.345 3.456 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000614800255 348694322 /nfs/dbraw/zinc/69/43/22/348694322.db2.gz YVDLMQXVKRQONF-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1C ZINC000339568599 215247909 /nfs/dbraw/zinc/24/79/09/215247909.db2.gz JUCSZGRIQXKCQQ-NXEZZACHSA-N 1 2 279.181 3.161 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1C ZINC000339568599 215247911 /nfs/dbraw/zinc/24/79/11/215247911.db2.gz JUCSZGRIQXKCQQ-NXEZZACHSA-N 1 2 279.181 3.161 20 30 CGEDLO CCc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc[nH+]1 ZINC000618694437 349145395 /nfs/dbraw/zinc/14/53/95/349145395.db2.gz HHDISBMWHXZFPQ-HNNXBMFYSA-N 1 2 264.332 3.010 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1c(CC)oc2ccccc21 ZINC000619715891 349277862 /nfs/dbraw/zinc/27/78/62/349277862.db2.gz ZBCBUXWKCGJURA-AWEZNQCLSA-N 1 2 287.359 3.155 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1c(CC)oc2ccccc21 ZINC000619715891 349277865 /nfs/dbraw/zinc/27/78/65/349277865.db2.gz ZBCBUXWKCGJURA-AWEZNQCLSA-N 1 2 287.359 3.155 20 30 CGEDLO C=CC[N@H+](Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000271336983 191082340 /nfs/dbraw/zinc/08/23/40/191082340.db2.gz BISOTGHWQPNVDH-UHFFFAOYSA-N 1 2 271.389 3.356 20 30 CGEDLO C=CC[N@@H+](Cc1csc(-c2ccccn2)n1)C1CC1 ZINC000271336983 191082343 /nfs/dbraw/zinc/08/23/43/191082343.db2.gz BISOTGHWQPNVDH-UHFFFAOYSA-N 1 2 271.389 3.356 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccs3)CCO2)c1 ZINC000336518301 213397017 /nfs/dbraw/zinc/39/70/17/213397017.db2.gz LAMTWKSTEYEWEC-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)c1 ZINC000336518301 213397018 /nfs/dbraw/zinc/39/70/18/213397018.db2.gz LAMTWKSTEYEWEC-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO C=C1CC(C)(C(=O)NCc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000633524505 351317409 /nfs/dbraw/zinc/31/74/09/351317409.db2.gz AJJZUVQVQOXBIY-UHFFFAOYSA-N 1 2 281.359 3.049 20 30 CGEDLO N#Cc1cscc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000339893814 215383480 /nfs/dbraw/zinc/38/34/80/215383480.db2.gz CJSPWDIBMCBUFL-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO CC[N@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000292204977 198202197 /nfs/dbraw/zinc/20/21/97/198202197.db2.gz PCSDVHYHEUGANN-CYBMUJFWSA-N 1 2 297.406 3.383 20 30 CGEDLO CC[N@@H+](Cc1nnc(C(C)C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000292204977 198202198 /nfs/dbraw/zinc/20/21/98/198202198.db2.gz PCSDVHYHEUGANN-CYBMUJFWSA-N 1 2 297.406 3.383 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)o1 ZINC000459710624 283142970 /nfs/dbraw/zinc/14/29/70/283142970.db2.gz QLQSQHXWEQWKMJ-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)o1 ZINC000459710624 283142973 /nfs/dbraw/zinc/14/29/73/283142973.db2.gz QLQSQHXWEQWKMJ-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000335405553 283142724 /nfs/dbraw/zinc/14/27/24/283142724.db2.gz DGGOICZKYRHGIU-LLVKDONJSA-N 1 2 272.245 3.121 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000335405553 283142729 /nfs/dbraw/zinc/14/27/29/283142729.db2.gz DGGOICZKYRHGIU-LLVKDONJSA-N 1 2 272.245 3.121 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000273576006 192213000 /nfs/dbraw/zinc/21/30/00/192213000.db2.gz GBAOFSJOUPYUQT-NXEZZACHSA-N 1 2 272.377 3.130 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3ccc(C#N)cc3)n2c1 ZINC000132849558 138409795 /nfs/dbraw/zinc/40/97/95/138409795.db2.gz ILUZIWDCFQMANJ-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)o1 ZINC000336211949 213034282 /nfs/dbraw/zinc/03/42/82/213034282.db2.gz RZSBBXUORWPBRE-OAHLLOKOSA-N 1 2 268.316 3.471 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)o1 ZINC000336211949 213034286 /nfs/dbraw/zinc/03/42/86/213034286.db2.gz RZSBBXUORWPBRE-OAHLLOKOSA-N 1 2 268.316 3.471 20 30 CGEDLO Cc1nnc(SCc2[nH+]ccn2C(C)C)c(C#N)c1C ZINC000182711202 189332769 /nfs/dbraw/zinc/33/27/69/189332769.db2.gz IMRAHHFLVOYXIJ-UHFFFAOYSA-N 1 2 287.392 3.035 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1Nc1cccc(C#N)n1 ZINC000301817072 201214655 /nfs/dbraw/zinc/21/46/55/201214655.db2.gz FBHJHWLIITZIOD-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccncc2F)C2CC2)cc1 ZINC000449011028 239110239 /nfs/dbraw/zinc/11/02/39/239110239.db2.gz ODILCFWKLBOZJY-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccncc2F)C2CC2)cc1 ZINC000449011028 239110245 /nfs/dbraw/zinc/11/02/45/239110245.db2.gz ODILCFWKLBOZJY-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)Cc1nc2c(s1)CCCC2 ZINC000119962359 370726534 /nfs/dbraw/zinc/72/65/34/370726534.db2.gz USGLROHPTGGVKM-UHFFFAOYSA-N 1 2 277.437 3.394 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nc2c(s1)CCCC2 ZINC000119962359 370726536 /nfs/dbraw/zinc/72/65/36/370726536.db2.gz USGLROHPTGGVKM-UHFFFAOYSA-N 1 2 277.437 3.394 20 30 CGEDLO N#Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000120507350 370774585 /nfs/dbraw/zinc/77/45/85/370774585.db2.gz MIRKYYKQCGNTRL-UHFFFAOYSA-N 1 2 280.356 3.418 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)c(F)c1 ZINC000335669219 212387891 /nfs/dbraw/zinc/38/78/91/212387891.db2.gz KJSRIQUNDFZFKG-OAHLLOKOSA-N 1 2 286.281 3.060 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451114749 240221960 /nfs/dbraw/zinc/22/19/60/240221960.db2.gz FDMAYSZTYWZXKP-MRXNPFEDSA-N 1 2 271.339 3.135 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000451114749 240221964 /nfs/dbraw/zinc/22/19/64/240221964.db2.gz FDMAYSZTYWZXKP-MRXNPFEDSA-N 1 2 271.339 3.135 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000121570542 370874199 /nfs/dbraw/zinc/87/41/99/370874199.db2.gz UMJIGWIRYXQVQE-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000121570542 370874207 /nfs/dbraw/zinc/87/42/07/370874207.db2.gz UMJIGWIRYXQVQE-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO CC(C)c1noc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000026331428 368856763 /nfs/dbraw/zinc/85/67/63/368856763.db2.gz CLDTWJCCIVRTRL-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1noc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000026331428 368856767 /nfs/dbraw/zinc/85/67/67/368856767.db2.gz CLDTWJCCIVRTRL-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccsc1 ZINC000035122961 368999528 /nfs/dbraw/zinc/99/95/28/368999528.db2.gz QCTWFXADWYRBJQ-LBPRGKRZSA-N 1 2 299.399 3.079 20 30 CGEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccsc1 ZINC000035122961 368999535 /nfs/dbraw/zinc/99/95/35/368999535.db2.gz QCTWFXADWYRBJQ-LBPRGKRZSA-N 1 2 299.399 3.079 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CNc1ccc(C#N)cc1 ZINC000037212074 369075902 /nfs/dbraw/zinc/07/59/02/369075902.db2.gz RJIAWXQWTDDASP-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)c[nH+]1 ZINC000128021775 370959188 /nfs/dbraw/zinc/95/91/88/370959188.db2.gz LCMDELNHDACHBK-UHFFFAOYSA-N 1 2 280.375 3.352 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](C#N)CCC#N ZINC000127643734 370953745 /nfs/dbraw/zinc/95/37/45/370953745.db2.gz IQNZXSUGRDJADS-GFCCVEGCSA-N 1 2 279.746 3.354 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](C#N)CCC#N ZINC000127643734 370953754 /nfs/dbraw/zinc/95/37/54/370953754.db2.gz IQNZXSUGRDJADS-GFCCVEGCSA-N 1 2 279.746 3.354 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCOC3(CCCC3)C2)c1O ZINC000128488424 370964157 /nfs/dbraw/zinc/96/41/57/370964157.db2.gz ZZRHURVWNAKTRB-QCUKBLKESA-N 1 2 289.375 3.312 20 30 CGEDLO CC[N@@H+](Cc1csc(Br)c1)C[C@@H](C)C#N ZINC000064248608 369651454 /nfs/dbraw/zinc/65/14/54/369651454.db2.gz FFMLTRIMKPAVSY-VIFPVBQESA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@H+](Cc1csc(Br)c1)C[C@@H](C)C#N ZINC000064248608 369651456 /nfs/dbraw/zinc/65/14/56/369651456.db2.gz FFMLTRIMKPAVSY-VIFPVBQESA-N 1 2 287.226 3.492 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)noc1C)Cc1ccc(F)cc1 ZINC000065958423 369687133 /nfs/dbraw/zinc/68/71/33/369687133.db2.gz JUFWUNJWPXYMSP-UHFFFAOYSA-N 1 2 272.323 3.066 20 30 CGEDLO C#CC[N@H+](Cc1c(C)noc1C)Cc1ccc(F)cc1 ZINC000065958423 369687136 /nfs/dbraw/zinc/68/71/36/369687136.db2.gz JUFWUNJWPXYMSP-UHFFFAOYSA-N 1 2 272.323 3.066 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066849368 369707426 /nfs/dbraw/zinc/70/74/26/369707426.db2.gz YQZAQYYARUGMBH-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066849368 369707428 /nfs/dbraw/zinc/70/74/28/369707428.db2.gz YQZAQYYARUGMBH-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccco2)c1C ZINC000070742649 369806649 /nfs/dbraw/zinc/80/66/49/369806649.db2.gz LCNDMEMZULNDKH-UHFFFAOYSA-N 1 2 286.375 3.199 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccco2)c1C ZINC000070742649 369806652 /nfs/dbraw/zinc/80/66/52/369806652.db2.gz LCNDMEMZULNDKH-UHFFFAOYSA-N 1 2 286.375 3.199 20 30 CGEDLO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1nccs1 ZINC000072662519 369832948 /nfs/dbraw/zinc/83/29/48/369832948.db2.gz DQLMCBKOBGVQHX-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC#N)cc1OC ZINC000101908210 370297889 /nfs/dbraw/zinc/29/78/89/370297889.db2.gz PMGUMIZELCEYSO-OAHLLOKOSA-N 1 2 288.391 3.014 20 30 CGEDLO COc1ccc(CC[C@H]2CCCC[N@H+]2CC#N)cc1OC ZINC000101908210 370297894 /nfs/dbraw/zinc/29/78/94/370297894.db2.gz PMGUMIZELCEYSO-OAHLLOKOSA-N 1 2 288.391 3.014 20 30 CGEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000118848463 370628261 /nfs/dbraw/zinc/62/82/61/370628261.db2.gz ZAFYUWACWFUSDP-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287274706 371633694 /nfs/dbraw/zinc/63/36/94/371633694.db2.gz HWASCQIPBNUUDR-NSHDSACASA-N 1 2 280.803 3.065 20 30 CGEDLO C=C(Cl)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287274706 371633698 /nfs/dbraw/zinc/63/36/98/371633698.db2.gz HWASCQIPBNUUDR-NSHDSACASA-N 1 2 280.803 3.065 20 30 CGEDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000154843516 371883957 /nfs/dbraw/zinc/88/39/57/371883957.db2.gz OUKQJZLLLCQHQR-UHFFFAOYSA-N 1 2 290.370 3.077 20 30 CGEDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000154843516 371883965 /nfs/dbraw/zinc/88/39/65/371883965.db2.gz OUKQJZLLLCQHQR-UHFFFAOYSA-N 1 2 290.370 3.077 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1cccc(CC)c1 ZINC000428853132 372269888 /nfs/dbraw/zinc/26/98/88/372269888.db2.gz XKMFZZWTIRGXMD-UHFFFAOYSA-N 1 2 258.365 3.029 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1cccc(CC)c1 ZINC000428853132 372269892 /nfs/dbraw/zinc/26/98/92/372269892.db2.gz XKMFZZWTIRGXMD-UHFFFAOYSA-N 1 2 258.365 3.029 20 30 CGEDLO CN(C)c1ccccc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428946386 372286470 /nfs/dbraw/zinc/28/64/70/372286470.db2.gz JPHBFCSXJZXVFF-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428946386 372286474 /nfs/dbraw/zinc/28/64/74/372286474.db2.gz JPHBFCSXJZXVFF-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1cccc2ccccc21 ZINC000161737798 372349008 /nfs/dbraw/zinc/34/90/08/372349008.db2.gz VJMKMWZVLQDXDH-CQSZACIVSA-N 1 2 268.360 3.453 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cccc2ccccc21 ZINC000161737798 372349015 /nfs/dbraw/zinc/34/90/15/372349015.db2.gz VJMKMWZVLQDXDH-CQSZACIVSA-N 1 2 268.360 3.453 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000429360445 372355745 /nfs/dbraw/zinc/35/57/45/372355745.db2.gz HMTFXXRJAIJJNJ-UHFFFAOYSA-N 1 2 279.343 3.344 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000429360445 372355753 /nfs/dbraw/zinc/35/57/53/372355753.db2.gz HMTFXXRJAIJJNJ-UHFFFAOYSA-N 1 2 279.343 3.344 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)c2ncccc2c1 ZINC000430092343 372383165 /nfs/dbraw/zinc/38/31/65/372383165.db2.gz ZETBJVVWZHNZPL-UHFFFAOYSA-N 1 2 265.360 3.445 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(C)c2ncccc2c1 ZINC000430092343 372383168 /nfs/dbraw/zinc/38/31/68/372383168.db2.gz ZETBJVVWZHNZPL-UHFFFAOYSA-N 1 2 265.360 3.445 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(CSC)s1)C1CC1 ZINC000293484715 372393408 /nfs/dbraw/zinc/39/34/08/372393408.db2.gz ADYROCUYKKPSND-UHFFFAOYSA-N 1 2 254.424 3.157 20 30 CGEDLO C=CC[N@H+](Cc1ncc(CSC)s1)C1CC1 ZINC000293484715 372393414 /nfs/dbraw/zinc/39/34/14/372393414.db2.gz ADYROCUYKKPSND-UHFFFAOYSA-N 1 2 254.424 3.157 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnn1C ZINC000162789706 372422883 /nfs/dbraw/zinc/42/28/83/372422883.db2.gz YODKDJURTNXSKA-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccnn1C ZINC000162789706 372422891 /nfs/dbraw/zinc/42/28/91/372422891.db2.gz YODKDJURTNXSKA-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000432916589 372575529 /nfs/dbraw/zinc/57/55/29/372575529.db2.gz IIHLZMSNANYUKS-JTQLQIEISA-N 1 2 263.341 3.217 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)no1)CC(C)(C)C#N ZINC000433311651 372587199 /nfs/dbraw/zinc/58/71/99/372587199.db2.gz NGUXORSGLZZSFV-UHFFFAOYSA-N 1 2 269.348 3.323 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)no1)CC(C)(C)C#N ZINC000433311651 372587209 /nfs/dbraw/zinc/58/72/09/372587209.db2.gz NGUXORSGLZZSFV-UHFFFAOYSA-N 1 2 269.348 3.323 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C#N ZINC000433310878 372587306 /nfs/dbraw/zinc/58/73/06/372587306.db2.gz DUZNQWGWOZBCPZ-UHFFFAOYSA-N 1 2 281.743 3.230 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C#N ZINC000433310878 372587313 /nfs/dbraw/zinc/58/73/13/372587313.db2.gz DUZNQWGWOZBCPZ-UHFFFAOYSA-N 1 2 281.743 3.230 20 30 CGEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)CC1CCCCC1 ZINC000434542440 372689517 /nfs/dbraw/zinc/68/95/17/372689517.db2.gz LSNPBMLGYRMBAP-UHFFFAOYSA-N 1 2 276.428 3.427 20 30 CGEDLO C=CC[N@H+](Cc1ncnn1C(C)C)CC1CCCCC1 ZINC000434542440 372689520 /nfs/dbraw/zinc/68/95/20/372689520.db2.gz LSNPBMLGYRMBAP-UHFFFAOYSA-N 1 2 276.428 3.427 20 30 CGEDLO C=CC1CC[NH+](Cc2noc(Cc3ccccc3C)n2)CC1 ZINC000435059121 372731378 /nfs/dbraw/zinc/73/13/78/372731378.db2.gz OYMBBQJLFVXURK-UHFFFAOYSA-N 1 2 297.402 3.367 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000171373413 372745603 /nfs/dbraw/zinc/74/56/03/372745603.db2.gz ZRWMEZVXWBEDJA-LBPRGKRZSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000171373413 372745611 /nfs/dbraw/zinc/74/56/11/372745611.db2.gz ZRWMEZVXWBEDJA-LBPRGKRZSA-N 1 2 286.272 3.472 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000353492588 220114604 /nfs/dbraw/zinc/11/46/04/220114604.db2.gz PIJPNWFCPQZWHD-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000353492588 220114606 /nfs/dbraw/zinc/11/46/06/220114606.db2.gz PIJPNWFCPQZWHD-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCN1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000441443346 373015607 /nfs/dbraw/zinc/01/56/07/373015607.db2.gz ZEZOHFXHKFRBFV-INIZCTEOSA-N 1 2 280.362 3.220 20 30 CGEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(C#N)s1 ZINC000447081785 373403344 /nfs/dbraw/zinc/40/33/44/373403344.db2.gz IZYQCFLKAFPWRP-UHFFFAOYSA-N 1 2 288.420 3.272 20 30 CGEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(C#N)s1 ZINC000447081785 373403356 /nfs/dbraw/zinc/40/33/56/373403356.db2.gz IZYQCFLKAFPWRP-UHFFFAOYSA-N 1 2 288.420 3.272 20 30 CGEDLO Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000177552437 373690177 /nfs/dbraw/zinc/69/01/77/373690177.db2.gz JBXFTTUCLCYBBI-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1ccc(NC(=O)c2ccc(C#N)cc2C)c(C)[nH+]1 ZINC000178752265 373808284 /nfs/dbraw/zinc/80/82/84/373808284.db2.gz KMSMAOLBBYQGQK-UHFFFAOYSA-N 1 2 265.316 3.131 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000449521589 373820778 /nfs/dbraw/zinc/82/07/78/373820778.db2.gz SKMNAWOEAHLNGN-ILXRZTDVSA-N 1 2 281.346 3.186 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OC1CC1)C[C@H](C)C#N ZINC000450326403 374061007 /nfs/dbraw/zinc/06/10/07/374061007.db2.gz HHPNPCQOYOETEZ-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO CC[N@H+](Cc1ccccc1OC1CC1)C[C@H](C)C#N ZINC000450326403 374061014 /nfs/dbraw/zinc/06/10/14/374061014.db2.gz HHPNPCQOYOETEZ-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(CCc3ccccc3)n2)CC1 ZINC000450383971 374092798 /nfs/dbraw/zinc/09/27/98/374092798.db2.gz AOPNDNRTPINFNO-UHFFFAOYSA-N 1 2 281.403 3.278 20 30 CGEDLO CC(C)n1cc[nH+]c1CNc1ccccc1O[C@@H](C)C#N ZINC000182570357 374291878 /nfs/dbraw/zinc/29/18/78/374291878.db2.gz MDHGOIKXCFFWFS-ZDUSSCGKSA-N 1 2 284.363 3.367 20 30 CGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@H]3C[C@H]3C3CC3)cc2[nH+]1 ZINC000329852141 374436738 /nfs/dbraw/zinc/43/67/38/374436738.db2.gz ULGSBOZCCPRDFR-RYUDHWBXSA-N 1 2 284.363 3.263 20 30 CGEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1nccn1C ZINC000183370760 374407796 /nfs/dbraw/zinc/40/77/96/374407796.db2.gz XNTPTFYJHFKVHL-HIFRSBDPSA-N 1 2 268.364 3.116 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000183835730 374462955 /nfs/dbraw/zinc/46/29/55/374462955.db2.gz JFMFRGCTJKRIPD-NSHDSACASA-N 1 2 257.362 3.059 20 30 CGEDLO COc1cc(Cl)c(C[NH2+]C[C@@H](C)C#N)cc1Cl ZINC000183826702 374461213 /nfs/dbraw/zinc/46/12/13/374461213.db2.gz HTUSUJXYUQMOCG-QMMMGPOBSA-N 1 2 273.163 3.251 20 30 CGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184153216 374498583 /nfs/dbraw/zinc/49/85/83/374498583.db2.gz YEBKTSVANCXUSO-LLVKDONJSA-N 1 2 287.388 3.183 20 30 CGEDLO COC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000184650974 374548457 /nfs/dbraw/zinc/54/84/57/374548457.db2.gz PCZQMTFMLCLIHJ-INIZCTEOSA-N 1 2 287.334 3.056 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000334396949 374712790 /nfs/dbraw/zinc/71/27/90/374712790.db2.gz CPGQBSDUKPNYOC-UHFFFAOYSA-N 1 2 272.295 3.314 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000334396949 374712794 /nfs/dbraw/zinc/71/27/94/374712794.db2.gz CPGQBSDUKPNYOC-UHFFFAOYSA-N 1 2 272.295 3.314 20 30 CGEDLO C=CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187314172 375001304 /nfs/dbraw/zinc/00/13/04/375001304.db2.gz VCUMTJWOCUHIIA-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187314172 375001310 /nfs/dbraw/zinc/00/13/10/375001310.db2.gz VCUMTJWOCUHIIA-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO COC(=O)[C@H]([NH2+]CC(C)(C)C(C)C)c1cccc(C#N)c1 ZINC000187463242 375026651 /nfs/dbraw/zinc/02/66/51/375026651.db2.gz HSTITKRXZFWMDB-OAHLLOKOSA-N 1 2 288.391 3.044 20 30 CGEDLO CCOC(=O)C1([N@H+](C)CC#Cc2ccccc2)CCCCC1 ZINC000484093015 375187611 /nfs/dbraw/zinc/18/76/11/375187611.db2.gz FAEPWVQLXNJKEK-UHFFFAOYSA-N 1 2 299.414 3.236 20 30 CGEDLO CCOC(=O)C1([N@@H+](C)CC#Cc2ccccc2)CCCCC1 ZINC000484093015 375187615 /nfs/dbraw/zinc/18/76/15/375187615.db2.gz FAEPWVQLXNJKEK-UHFFFAOYSA-N 1 2 299.414 3.236 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)CC1(F)F ZINC000494222397 375485899 /nfs/dbraw/zinc/48/58/99/375485899.db2.gz FUVCJKKKUVNTPM-LBPRGKRZSA-N 1 2 264.319 3.230 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CC1(F)F ZINC000494222397 375485902 /nfs/dbraw/zinc/48/59/02/375485902.db2.gz FUVCJKKKUVNTPM-LBPRGKRZSA-N 1 2 264.319 3.230 20 30 CGEDLO CCOc1c(Cl)cccc1C[N@H+](C)C[C@@H](C)C#N ZINC000495173579 375498375 /nfs/dbraw/zinc/49/83/75/375498375.db2.gz LMCFRUFCUAQHGI-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CCOc1c(Cl)cccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000495173579 375498383 /nfs/dbraw/zinc/49/83/83/375498383.db2.gz LMCFRUFCUAQHGI-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C/c2ccc(C#N)cn2)c[nH+]1 ZINC000191272595 375603924 /nfs/dbraw/zinc/60/39/24/375603924.db2.gz CEXKFHDTDRYCCH-QPJJXVBHSA-N 1 2 278.359 3.363 20 30 CGEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3C2)cc1F ZINC000192011777 375689624 /nfs/dbraw/zinc/68/96/24/375689624.db2.gz GQMWPIJOKQRGQW-UHFFFAOYSA-N 1 2 252.292 3.213 20 30 CGEDLO C#CC[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000192225683 375713345 /nfs/dbraw/zinc/71/33/45/375713345.db2.gz HFUOJDUKZXUBSP-UHFFFAOYSA-N 1 2 274.751 3.368 20 30 CGEDLO C#CC[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000192225683 375713358 /nfs/dbraw/zinc/71/33/58/375713358.db2.gz HFUOJDUKZXUBSP-UHFFFAOYSA-N 1 2 274.751 3.368 20 30 CGEDLO N#Cc1cccc(OCCn2c[nH+]c3cc(F)c(F)cc32)c1 ZINC000192831202 375792648 /nfs/dbraw/zinc/79/26/48/375792648.db2.gz FAOWUYLQTCBYHH-UHFFFAOYSA-N 1 2 299.280 3.265 20 30 CGEDLO CCC[N@@H+](CC#N)CCCOc1ccc(Cl)cc1 ZINC000522777707 375879662 /nfs/dbraw/zinc/87/96/62/375879662.db2.gz SVUKJKJWLBCRCK-UHFFFAOYSA-N 1 2 266.772 3.344 20 30 CGEDLO CCC[N@H+](CC#N)CCCOc1ccc(Cl)cc1 ZINC000522777707 375879669 /nfs/dbraw/zinc/87/96/69/375879669.db2.gz SVUKJKJWLBCRCK-UHFFFAOYSA-N 1 2 266.772 3.344 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(C(F)(F)F)c1 ZINC000529524482 375928730 /nfs/dbraw/zinc/92/87/30/375928730.db2.gz BWCGOARGLAMIJX-JTQLQIEISA-N 1 2 286.297 3.305 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(C(F)(F)F)c1 ZINC000529524482 375928737 /nfs/dbraw/zinc/92/87/37/375928737.db2.gz BWCGOARGLAMIJX-JTQLQIEISA-N 1 2 286.297 3.305 20 30 CGEDLO C=CCCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000530887509 375944326 /nfs/dbraw/zinc/94/43/26/375944326.db2.gz VPXSFSOJNREARC-UHFFFAOYSA-N 1 2 255.321 3.372 20 30 CGEDLO CC(C)CCc1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000338349568 376344315 /nfs/dbraw/zinc/34/43/15/376344315.db2.gz OJHXGZPEAOOLNG-CYBMUJFWSA-N 1 2 298.390 3.381 20 30 CGEDLO C=CCCOCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000229870261 376475155 /nfs/dbraw/zinc/47/51/55/376475155.db2.gz VUZXXCIJBKDPMF-UHFFFAOYSA-N 1 2 260.259 3.105 20 30 CGEDLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cn1 ZINC000543505255 376651982 /nfs/dbraw/zinc/65/19/82/376651982.db2.gz NURSNLYJWVVSNJ-LBPRGKRZSA-N 1 2 286.354 3.326 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000555751009 376859982 /nfs/dbraw/zinc/85/99/82/376859982.db2.gz MXJMGGZWBIYYMX-SFHVURJKSA-N 1 2 292.382 3.322 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000555751009 376859992 /nfs/dbraw/zinc/85/99/92/376859992.db2.gz MXJMGGZWBIYYMX-SFHVURJKSA-N 1 2 292.382 3.322 20 30 CGEDLO N#Cc1cnc(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000562821563 377363672 /nfs/dbraw/zinc/36/36/72/377363672.db2.gz SPNGSDLKFKLKGI-IJDCCNJMSA-N 1 2 290.370 3.026 20 30 CGEDLO N#Cc1cnc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000562821563 377363678 /nfs/dbraw/zinc/36/36/78/377363678.db2.gz SPNGSDLKFKLKGI-IJDCCNJMSA-N 1 2 290.370 3.026 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(Cl)cc1Cl ZINC000565312717 377485521 /nfs/dbraw/zinc/48/55/21/377485521.db2.gz LDZZBUURYNWOII-VIFPVBQESA-N 1 2 258.152 3.170 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000573695345 377564290 /nfs/dbraw/zinc/56/42/90/377564290.db2.gz LRNHODPPQFQNSR-UKRRQHHQSA-N 1 2 295.386 3.449 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000573695343 377564310 /nfs/dbraw/zinc/56/43/10/377564310.db2.gz LRNHODPPQFQNSR-HIFRSBDPSA-N 1 2 295.386 3.449 20 30 CGEDLO N#CCCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342153436 377631915 /nfs/dbraw/zinc/63/19/15/377631915.db2.gz MCMZKLZJHAKYJQ-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO N#CCCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342153436 377631920 /nfs/dbraw/zinc/63/19/20/377631920.db2.gz MCMZKLZJHAKYJQ-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCSC(C)(C)C)c1 ZINC000263851750 377952237 /nfs/dbraw/zinc/95/22/37/377952237.db2.gz QLWHNZVTNPVSOU-XNTDXEJSSA-N 1 2 267.394 3.351 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000264445852 377987386 /nfs/dbraw/zinc/98/73/86/377987386.db2.gz GYNOMSJTTFDHFR-CYBMUJFWSA-N 1 2 290.432 3.388 20 30 CGEDLO CS[C@H]1CCC[C@@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265286563 378000436 /nfs/dbraw/zinc/00/04/36/378000436.db2.gz GTHNVDBWBZSXTI-BGAHDCEISA-N 1 2 265.378 3.191 20 30 CGEDLO N#Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000265489125 378003449 /nfs/dbraw/zinc/00/34/49/378003449.db2.gz FSLDEOCAKRJTRN-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO Cc1ccc(C)c(N(C)Cc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000578088379 378036532 /nfs/dbraw/zinc/03/65/32/378036532.db2.gz UIIKQXJAMJTHGL-UHFFFAOYSA-N 1 2 290.370 3.459 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000268299323 378052789 /nfs/dbraw/zinc/05/27/89/378052789.db2.gz MCWIRGDMENDUHR-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000268299323 378052799 /nfs/dbraw/zinc/05/27/99/378052799.db2.gz MCWIRGDMENDUHR-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000268564459 378075053 /nfs/dbraw/zinc/07/50/53/378075053.db2.gz PTLLCPXECSXLGO-CZUORRHYSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000268564459 378075059 /nfs/dbraw/zinc/07/50/59/378075059.db2.gz PTLLCPXECSXLGO-CZUORRHYSA-N 1 2 295.810 3.040 20 30 CGEDLO N#CCC[NH2+]Cc1cccc(Br)c1Cl ZINC000579103037 378129967 /nfs/dbraw/zinc/12/99/67/378129967.db2.gz BZADVMONXWVTIP-UHFFFAOYSA-N 1 2 273.561 3.106 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(NCC3(C#N)CC3)c2c1 ZINC000578835094 378104324 /nfs/dbraw/zinc/10/43/24/378104324.db2.gz SVQWWPAFTAJZJJ-UHFFFAOYSA-N 1 2 281.359 3.160 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCOC2(CCSCC2)C1 ZINC000269378764 378215451 /nfs/dbraw/zinc/21/54/51/378215451.db2.gz UQAZGLFAIIIZBN-RFRKOGIWSA-N 1 2 291.416 3.256 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000581014495 378275622 /nfs/dbraw/zinc/27/56/22/378275622.db2.gz WYHHVXYHYHYTQB-HNNXBMFYSA-N 1 2 296.330 3.132 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000581014495 378275628 /nfs/dbraw/zinc/27/56/28/378275628.db2.gz WYHHVXYHYHYTQB-HNNXBMFYSA-N 1 2 296.330 3.132 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000269916519 378281416 /nfs/dbraw/zinc/28/14/16/378281416.db2.gz SNGWUPBXRGVSLD-AWEZNQCLSA-N 1 2 284.186 3.390 20 30 CGEDLO C#CCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000269916519 378281417 /nfs/dbraw/zinc/28/14/17/378281417.db2.gz SNGWUPBXRGVSLD-AWEZNQCLSA-N 1 2 284.186 3.390 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c(F)c1 ZINC000270312668 378332807 /nfs/dbraw/zinc/33/28/07/378332807.db2.gz PZCXXNCJPFIIPR-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c(F)c1 ZINC000270312668 378332812 /nfs/dbraw/zinc/33/28/12/378332812.db2.gz PZCXXNCJPFIIPR-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO CC(C)(C)[C@@H]1C[C@@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000270569811 378369984 /nfs/dbraw/zinc/36/99/84/378369984.db2.gz AYMRLJNJHJGCIQ-IFEYXZSHSA-N 1 2 277.364 3.110 20 30 CGEDLO CCCOc1c(C[N@H+](C)C[C@@H](C)C#N)cccc1OCC ZINC000271129769 378459706 /nfs/dbraw/zinc/45/97/06/378459706.db2.gz NHUCRMMGYDVWMG-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCOc1c(C[N@@H+](C)C[C@@H](C)C#N)cccc1OCC ZINC000271129769 378459712 /nfs/dbraw/zinc/45/97/12/378459712.db2.gz NHUCRMMGYDVWMG-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000271292680 378488925 /nfs/dbraw/zinc/48/89/25/378488925.db2.gz GFYAPYRPTAGYQU-ZKKVJJGYSA-N 1 2 291.391 3.413 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000639132565 379058790 /nfs/dbraw/zinc/05/87/90/379058790.db2.gz QMJIELHNBKPRPK-KBPBESRZSA-N 1 2 262.401 3.370 20 30 CGEDLO C=CC[C@H]1CC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC(C)(C)C ZINC000639425883 379375570 /nfs/dbraw/zinc/37/55/70/379375570.db2.gz QEHSTZOZBZIMOT-SUMWQHHRSA-N 1 2 278.440 3.315 20 30 CGEDLO C=CC[C@@H]1CC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC1CCCC1 ZINC000639424700 379376264 /nfs/dbraw/zinc/37/62/64/379376264.db2.gz PHGBEDOTNJWWMJ-RDTXWAMCSA-N 1 2 290.451 3.460 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@H+](CCC#N)CC2CC2)n1 ZINC000351685477 379738855 /nfs/dbraw/zinc/73/88/55/379738855.db2.gz NBXGPFVQDWJUKK-UHFFFAOYSA-N 1 2 287.407 3.385 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000351685477 379738863 /nfs/dbraw/zinc/73/88/63/379738863.db2.gz NBXGPFVQDWJUKK-UHFFFAOYSA-N 1 2 287.407 3.385 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000280801842 379793262 /nfs/dbraw/zinc/79/32/62/379793262.db2.gz RYMQXYXGOYFMKO-ZFWWWQNUSA-N 1 2 273.380 3.056 20 30 CGEDLO C=CC[C@H](CC)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000281335447 379829628 /nfs/dbraw/zinc/82/96/28/379829628.db2.gz LPFJRHUOXDBGKK-STQMWFEESA-N 1 2 276.384 3.001 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000281411463 379834668 /nfs/dbraw/zinc/83/46/68/379834668.db2.gz OEJJDAANHSYXAJ-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000281411463 379834676 /nfs/dbraw/zinc/83/46/76/379834676.db2.gz OEJJDAANHSYXAJ-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCc2c[nH+]c(C)cc2C)n1 ZINC000397086393 379924471 /nfs/dbraw/zinc/92/44/71/379924471.db2.gz JALNVOGOIAIOCD-UHFFFAOYSA-N 1 2 266.348 3.194 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccsc1Br ZINC000388411278 379885800 /nfs/dbraw/zinc/88/58/00/379885800.db2.gz XVRQVIBDNBMLTD-SECBINFHSA-N 1 2 273.199 3.292 20 30 CGEDLO Cc1csc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)n1 ZINC000352799563 379968663 /nfs/dbraw/zinc/96/86/63/379968663.db2.gz OLZWSJSNBRQNQV-GFCCVEGCSA-N 1 2 290.417 3.021 20 30 CGEDLO COCC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccco1 ZINC000347924231 218401870 /nfs/dbraw/zinc/40/18/70/218401870.db2.gz HLEBKUWYGALCPN-OAHLLOKOSA-N 1 2 288.322 3.158 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1csnn1 ZINC000411190546 380133889 /nfs/dbraw/zinc/13/38/89/380133889.db2.gz HSFIXRRVFCCLOP-CYBMUJFWSA-N 1 2 273.405 3.330 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1csnn1 ZINC000411190546 380133895 /nfs/dbraw/zinc/13/38/95/380133895.db2.gz HSFIXRRVFCCLOP-CYBMUJFWSA-N 1 2 273.405 3.330 20 30 CGEDLO CC(C)C1(c2ccccc2)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000414145931 380193566 /nfs/dbraw/zinc/19/35/66/380193566.db2.gz BLGCTTWXCWNQTE-INIZCTEOSA-N 1 2 281.403 3.340 20 30 CGEDLO C[N@H+](Cc1cnc(C2CCC2)s1)CC(C)(C)C#N ZINC000354018656 380282696 /nfs/dbraw/zinc/28/26/96/380282696.db2.gz RBSQJIHTFCTDMR-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO C[N@@H+](Cc1cnc(C2CCC2)s1)CC(C)(C)C#N ZINC000354018656 380282704 /nfs/dbraw/zinc/28/27/04/380282704.db2.gz RBSQJIHTFCTDMR-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354026481 380285392 /nfs/dbraw/zinc/28/53/92/380285392.db2.gz URHZTNBQRLVKCJ-GFCCVEGCSA-N 1 2 292.452 3.113 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354026481 380285398 /nfs/dbraw/zinc/28/53/98/380285398.db2.gz URHZTNBQRLVKCJ-GFCCVEGCSA-N 1 2 292.452 3.113 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000354033201 380290199 /nfs/dbraw/zinc/29/01/99/380290199.db2.gz JEOJUKMYIDQDTH-CYBMUJFWSA-N 1 2 298.365 3.135 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000354033201 380290204 /nfs/dbraw/zinc/29/02/04/380290204.db2.gz JEOJUKMYIDQDTH-CYBMUJFWSA-N 1 2 298.365 3.135 20 30 CGEDLO N#Cc1c(Cl)cccc1NCCNc1cccc[nH+]1 ZINC000354760310 380551560 /nfs/dbraw/zinc/55/15/60/380551560.db2.gz WGKMVYSLTCZOKW-UHFFFAOYSA-N 1 2 272.739 3.131 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000419192122 380775892 /nfs/dbraw/zinc/77/58/92/380775892.db2.gz XLKOLLYHZAJAHA-OAHLLOKOSA-N 1 2 293.382 3.102 20 30 CGEDLO Cn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1C#N ZINC000334756993 207025066 /nfs/dbraw/zinc/02/50/66/207025066.db2.gz XNYOMAXTEFBYGH-INIZCTEOSA-N 1 2 281.359 3.217 20 30 CGEDLO Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1C#N ZINC000334756993 207025069 /nfs/dbraw/zinc/02/50/69/207025069.db2.gz XNYOMAXTEFBYGH-INIZCTEOSA-N 1 2 281.359 3.217 20 30 CGEDLO C=C(CC)C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000358494597 381311800 /nfs/dbraw/zinc/31/18/00/381311800.db2.gz DAZUNILTCMCWFP-UHFFFAOYSA-N 1 2 255.365 3.378 20 30 CGEDLO C=C(CC)C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000358494597 381311807 /nfs/dbraw/zinc/31/18/07/381311807.db2.gz DAZUNILTCMCWFP-UHFFFAOYSA-N 1 2 255.365 3.378 20 30 CGEDLO CC(C)(C#N)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000359632589 381356344 /nfs/dbraw/zinc/35/63/44/381356344.db2.gz IKUNQXRNKHKBTF-UHFFFAOYSA-N 1 2 295.342 3.153 20 30 CGEDLO C=CCOCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361505758 381779974 /nfs/dbraw/zinc/77/99/74/381779974.db2.gz SESSBHWRXYNGNY-UHFFFAOYSA-N 1 2 270.376 3.050 20 30 CGEDLO C=CCOCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361505758 381779981 /nfs/dbraw/zinc/77/99/81/381779981.db2.gz SESSBHWRXYNGNY-UHFFFAOYSA-N 1 2 270.376 3.050 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000362230403 381912373 /nfs/dbraw/zinc/91/23/73/381912373.db2.gz MXWPLAPMICVFPF-ZDUSSCGKSA-N 1 2 269.348 3.413 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000335321358 208185399 /nfs/dbraw/zinc/18/53/99/208185399.db2.gz IZOOEORTNOZRCD-AWEZNQCLSA-N 1 2 272.377 3.070 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000335321358 208185401 /nfs/dbraw/zinc/18/54/01/208185401.db2.gz IZOOEORTNOZRCD-AWEZNQCLSA-N 1 2 272.377 3.070 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356090376 533140702 /nfs/dbraw/zinc/14/07/02/533140702.db2.gz QUAUBSBRIWXYFR-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356090376 533140709 /nfs/dbraw/zinc/14/07/09/533140709.db2.gz QUAUBSBRIWXYFR-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccon1 ZINC000439435269 533444251 /nfs/dbraw/zinc/44/42/51/533444251.db2.gz DZLAUHJBVAFRPL-SECBINFHSA-N 1 2 261.712 3.050 20 30 CGEDLO CCOc1ccc(O)c(C[N@H+](CC#N)C2CCCC2)c1 ZINC000093563385 392239627 /nfs/dbraw/zinc/23/96/27/392239627.db2.gz DLQHDWPLFLNKDS-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO CCOc1ccc(O)c(C[N@@H+](CC#N)C2CCCC2)c1 ZINC000093563385 392239629 /nfs/dbraw/zinc/23/96/29/392239629.db2.gz DLQHDWPLFLNKDS-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000361689189 392295417 /nfs/dbraw/zinc/29/54/17/392295417.db2.gz HQINHMKARBWMBN-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000361689189 392295426 /nfs/dbraw/zinc/29/54/26/392295426.db2.gz HQINHMKARBWMBN-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000289243562 392416707 /nfs/dbraw/zinc/41/67/07/392416707.db2.gz ZSEJEMONCIZABH-NSHDSACASA-N 1 2 257.337 3.434 20 30 CGEDLO CC(C)(CCC#N)C[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000126792060 392444064 /nfs/dbraw/zinc/44/40/64/392444064.db2.gz HQKWRSZINYWRHL-UHFFFAOYSA-N 1 2 269.352 3.009 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCc2ccccn2)c1 ZINC000178764172 392684240 /nfs/dbraw/zinc/68/42/40/392684240.db2.gz HXSMPTVJCLOFKR-QGOAFFKASA-N 1 2 284.359 3.238 20 30 CGEDLO CCOc1ccc(C#N)cc1NCc1c[nH+]c2ccccn12 ZINC000181420592 392730020 /nfs/dbraw/zinc/73/00/20/392730020.db2.gz BQFCWXMHZUDFSK-UHFFFAOYSA-N 1 2 292.342 3.217 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375939758 392844525 /nfs/dbraw/zinc/84/45/25/392844525.db2.gz BOQFRWVBMSEYGX-AWEZNQCLSA-N 1 2 294.402 3.284 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1C)CC(F)F ZINC000186198301 392778560 /nfs/dbraw/zinc/77/85/60/392778560.db2.gz FKHXSHZUPIZRRA-UHFFFAOYSA-N 1 2 252.308 3.344 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1C)CC(F)F ZINC000186198301 392778563 /nfs/dbraw/zinc/77/85/63/392778563.db2.gz FKHXSHZUPIZRRA-UHFFFAOYSA-N 1 2 252.308 3.344 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000338572931 392921502 /nfs/dbraw/zinc/92/15/02/392921502.db2.gz XSBZVBCCCIZVCM-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO C=CCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000338572931 392921511 /nfs/dbraw/zinc/92/15/11/392921511.db2.gz XSBZVBCCCIZVCM-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO N#Cc1csc(C[N@H+](CCC(F)(F)F)CC2CC2)n1 ZINC000356123892 393359174 /nfs/dbraw/zinc/35/91/74/393359174.db2.gz JCXWJGYQBPPTTH-UHFFFAOYSA-N 1 2 289.326 3.179 20 30 CGEDLO N#Cc1csc(C[N@@H+](CCC(F)(F)F)CC2CC2)n1 ZINC000356123892 393359181 /nfs/dbraw/zinc/35/91/81/393359181.db2.gz JCXWJGYQBPPTTH-UHFFFAOYSA-N 1 2 289.326 3.179 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)[C@H](C)O1 ZINC000439434635 393730828 /nfs/dbraw/zinc/73/08/28/393730828.db2.gz CCAVEPHXLNZQJN-UTUOFQBUSA-N 1 2 278.783 3.209 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)[C@H](C)O1 ZINC000439434635 393730830 /nfs/dbraw/zinc/73/08/30/393730830.db2.gz CCAVEPHXLNZQJN-UTUOFQBUSA-N 1 2 278.783 3.209 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)[nH]1 ZINC000443997267 393780888 /nfs/dbraw/zinc/78/08/88/393780888.db2.gz MECWHRPFBMNJNK-AAEUAGOBSA-N 1 2 297.406 3.349 20 30 CGEDLO C=C1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667601951 542896959 /nfs/dbraw/zinc/89/69/59/542896959.db2.gz OFDUVUQNDGILQX-UHFFFAOYSA-N 1 2 281.197 3.305 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000677476951 543450412 /nfs/dbraw/zinc/45/04/12/543450412.db2.gz KREYNMUYNGHNNP-LBPRGKRZSA-N 1 2 278.783 3.012 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000677476951 543450415 /nfs/dbraw/zinc/45/04/15/543450415.db2.gz KREYNMUYNGHNNP-LBPRGKRZSA-N 1 2 278.783 3.012 20 30 CGEDLO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000744418737 572751349 /nfs/dbraw/zinc/75/13/49/572751349.db2.gz JXRTUTXKURRCPX-CQSZACIVSA-N 1 2 280.437 3.191 20 30 CGEDLO CCCCCCC[N@H+]1CCNC(=O)[C@H]1c1cccs1 ZINC000744418737 572751353 /nfs/dbraw/zinc/75/13/53/572751353.db2.gz JXRTUTXKURRCPX-CQSZACIVSA-N 1 2 280.437 3.191 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1F ZINC000285223017 196226155 /nfs/dbraw/zinc/22/61/55/196226155.db2.gz APFSHQMITUVMRB-INIZCTEOSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1F ZINC000285223017 196226156 /nfs/dbraw/zinc/22/61/56/196226156.db2.gz APFSHQMITUVMRB-INIZCTEOSA-N 1 2 284.338 3.148 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000679218215 543599924 /nfs/dbraw/zinc/59/99/24/543599924.db2.gz LBEVWBOLUHONGD-OAHLLOKOSA-N 1 2 279.387 3.032 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000679218215 543599926 /nfs/dbraw/zinc/59/99/26/543599926.db2.gz LBEVWBOLUHONGD-OAHLLOKOSA-N 1 2 279.387 3.032 20 30 CGEDLO FC(F)O[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000679677023 543655151 /nfs/dbraw/zinc/65/51/51/543655151.db2.gz UVWXUOIUVKTPSN-CYBMUJFWSA-N 1 2 299.748 3.395 20 30 CGEDLO FC(F)O[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000679677023 543655154 /nfs/dbraw/zinc/65/51/54/543655154.db2.gz UVWXUOIUVKTPSN-CYBMUJFWSA-N 1 2 299.748 3.395 20 30 CGEDLO C=CCCO[C@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980401 419034201 /nfs/dbraw/zinc/03/42/01/419034201.db2.gz CUZAKYWDQUJUPB-GFCCVEGCSA-N 1 2 273.336 3.018 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccccc2)nn1 ZINC000653483849 419035371 /nfs/dbraw/zinc/03/53/71/419035371.db2.gz CSFWZQAGCVXJQW-AWEZNQCLSA-N 1 2 270.380 3.047 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccccc2)nn1 ZINC000653483849 419035376 /nfs/dbraw/zinc/03/53/76/419035376.db2.gz CSFWZQAGCVXJQW-AWEZNQCLSA-N 1 2 270.380 3.047 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)nn1 ZINC000653583564 419053011 /nfs/dbraw/zinc/05/30/11/419053011.db2.gz JSGDAIJBHTURJG-KRWDZBQOSA-N 1 2 296.418 3.437 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)nn1 ZINC000653583564 419053014 /nfs/dbraw/zinc/05/30/14/419053014.db2.gz JSGDAIJBHTURJG-KRWDZBQOSA-N 1 2 296.418 3.437 20 30 CGEDLO C=CCCCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000653997832 419126913 /nfs/dbraw/zinc/12/69/13/419126913.db2.gz XIDWPWUNXJHSDI-UHFFFAOYSA-N 1 2 272.352 3.202 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2cccs2)C2CC2)n1 ZINC000356065801 228107950 /nfs/dbraw/zinc/10/79/50/228107950.db2.gz PRSHMNQLYPSBKD-UHFFFAOYSA-N 1 2 275.402 3.241 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2cccs2)C2CC2)n1 ZINC000356065801 228107952 /nfs/dbraw/zinc/10/79/52/228107952.db2.gz PRSHMNQLYPSBKD-UHFFFAOYSA-N 1 2 275.402 3.241 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CC(C)C)c(OC)c1 ZINC000746154317 572858098 /nfs/dbraw/zinc/85/80/98/572858098.db2.gz RKHFDFLLFAVWHF-UHFFFAOYSA-N 1 2 276.380 3.075 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)C)c(OC)c1 ZINC000746154317 572858100 /nfs/dbraw/zinc/85/81/00/572858100.db2.gz RKHFDFLLFAVWHF-UHFFFAOYSA-N 1 2 276.380 3.075 20 30 CGEDLO C=CCSCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000299294832 260180143 /nfs/dbraw/zinc/18/01/43/260180143.db2.gz INWWWWZJURXAGF-UHFFFAOYSA-N 1 2 286.404 3.178 20 30 CGEDLO C[N@@H+](Cc1ccccc1Cl)C[C@@H](C#N)CCC#N ZINC000072589932 260277268 /nfs/dbraw/zinc/27/72/68/260277268.db2.gz WVWIPIOKUWLWGI-GFCCVEGCSA-N 1 2 261.756 3.215 20 30 CGEDLO C[N@H+](Cc1ccccc1Cl)C[C@@H](C#N)CCC#N ZINC000072589932 260277270 /nfs/dbraw/zinc/27/72/70/260277270.db2.gz WVWIPIOKUWLWGI-GFCCVEGCSA-N 1 2 261.756 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1csc(Br)c1 ZINC000042362259 260616032 /nfs/dbraw/zinc/61/60/32/260616032.db2.gz GRLDBIKBJXQXSQ-QMMMGPOBSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1csc(Br)c1 ZINC000042362259 260616034 /nfs/dbraw/zinc/61/60/34/260616034.db2.gz GRLDBIKBJXQXSQ-QMMMGPOBSA-N 1 2 273.199 3.245 20 30 CGEDLO CC[N@@H+](Cc1ccc(Br)o1)C[C@H](C)C#N ZINC000042449567 260618380 /nfs/dbraw/zinc/61/83/80/260618380.db2.gz UXUOKDBBETZDTE-SECBINFHSA-N 1 2 271.158 3.024 20 30 CGEDLO CC[N@H+](Cc1ccc(Br)o1)C[C@H](C)C#N ZINC000042449567 260618383 /nfs/dbraw/zinc/61/83/83/260618383.db2.gz UXUOKDBBETZDTE-SECBINFHSA-N 1 2 271.158 3.024 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000154229602 261089201 /nfs/dbraw/zinc/08/92/01/261089201.db2.gz QCVFFSYLLPTBLL-MUUPJYMSSA-N 1 2 289.375 3.167 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)OC)o1 ZINC000173554923 261537454 /nfs/dbraw/zinc/53/74/54/261537454.db2.gz QEVKWIDVNYWUTA-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)OC)o1 ZINC000173554923 261537455 /nfs/dbraw/zinc/53/74/55/261537455.db2.gz QEVKWIDVNYWUTA-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184091959 262008103 /nfs/dbraw/zinc/00/81/03/262008103.db2.gz ZDARHOTUYUILSG-JTQLQIEISA-N 1 2 267.716 3.030 20 30 CGEDLO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC(F)F ZINC000184092851 262008993 /nfs/dbraw/zinc/00/89/93/262008993.db2.gz LOMLOSIDNKMDKE-UHFFFAOYSA-N 1 2 281.350 3.123 20 30 CGEDLO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC(F)F ZINC000184092851 262008994 /nfs/dbraw/zinc/00/89/94/262008994.db2.gz LOMLOSIDNKMDKE-UHFFFAOYSA-N 1 2 281.350 3.123 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC)cn1 ZINC000271885493 263000224 /nfs/dbraw/zinc/00/02/24/263000224.db2.gz CXSDPQFXXHMMBR-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)cn1 ZINC000271885493 263000225 /nfs/dbraw/zinc/00/02/25/263000225.db2.gz CXSDPQFXXHMMBR-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CC(C)C[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271955700 263000658 /nfs/dbraw/zinc/00/06/58/263000658.db2.gz SFBUEDJAXCOKEK-FLKQJBRMSA-N 1 2 261.365 3.405 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000273522590 263017585 /nfs/dbraw/zinc/01/75/85/263017585.db2.gz QSCJLQXYGSTCMA-ZDUSSCGKSA-N 1 2 274.412 3.059 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000273522590 263017586 /nfs/dbraw/zinc/01/75/86/263017586.db2.gz QSCJLQXYGSTCMA-ZDUSSCGKSA-N 1 2 274.412 3.059 20 30 CGEDLO Cc1ccc2[nH+]cc(CN3CCCC(C)(C)[C@H]3C#N)n2c1 ZINC000278364621 263047352 /nfs/dbraw/zinc/04/73/52/263047352.db2.gz JYYVMJMBGRCQAM-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO COCC(C)(C)CCC/[NH+]=C/c1cccc(OC)c1O ZINC000286988044 263100517 /nfs/dbraw/zinc/10/05/17/263100517.db2.gz CYZMMBRXSSBNCT-GZTJUZNOSA-N 1 2 279.380 3.273 20 30 CGEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc2O1 ZINC000288996752 263106918 /nfs/dbraw/zinc/10/69/18/263106918.db2.gz LZTPTBDLAHHKLE-AWEZNQCLSA-N 1 2 283.375 3.103 20 30 CGEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc2O1 ZINC000288996752 263106919 /nfs/dbraw/zinc/10/69/19/263106919.db2.gz LZTPTBDLAHHKLE-AWEZNQCLSA-N 1 2 283.375 3.103 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1csc(CC(=O)OC(C)C)n1 ZINC000340334835 263116181 /nfs/dbraw/zinc/11/61/81/263116181.db2.gz UJRCIJVLVRGQEG-UHFFFAOYSA-N 1 2 296.436 3.035 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1csc(CC(=O)OC(C)C)n1 ZINC000340334835 263116182 /nfs/dbraw/zinc/11/61/82/263116182.db2.gz UJRCIJVLVRGQEG-UHFFFAOYSA-N 1 2 296.436 3.035 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000292733140 263134587 /nfs/dbraw/zinc/13/45/87/263134587.db2.gz GOOKYBLDGVDDQS-UHFFFAOYSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000292733140 263134588 /nfs/dbraw/zinc/13/45/88/263134588.db2.gz GOOKYBLDGVDDQS-UHFFFAOYSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000453306978 263227409 /nfs/dbraw/zinc/22/74/09/263227409.db2.gz KZOQGSULNJITSY-ZDUSSCGKSA-N 1 2 262.401 3.228 20 30 CGEDLO C=CC[C@H](CC)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341226866 263327419 /nfs/dbraw/zinc/32/74/19/263327419.db2.gz KAOVVFSLZYFPIC-HNNXBMFYSA-N 1 2 298.390 3.026 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000341909242 263365976 /nfs/dbraw/zinc/36/59/76/263365976.db2.gz LNCXXGGPBLHACB-LBPRGKRZSA-N 1 2 257.337 3.306 20 30 CGEDLO C=C(C)C[N@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000341909242 263365977 /nfs/dbraw/zinc/36/59/77/263365977.db2.gz LNCXXGGPBLHACB-LBPRGKRZSA-N 1 2 257.337 3.306 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000341996492 263374073 /nfs/dbraw/zinc/37/40/73/263374073.db2.gz RAMXGNXIFVYDEF-CYBMUJFWSA-N 1 2 290.432 3.388 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330668435 263993581 /nfs/dbraw/zinc/99/35/81/263993581.db2.gz JTJMUTRCYXRJME-UONOGXRCSA-N 1 2 290.411 3.248 20 30 CGEDLO Cc1[nH]c(C(=O)NCC[C@@H](C)CC(C)(C)C)c[nH+]1 ZINC000331269943 264168977 /nfs/dbraw/zinc/16/89/77/264168977.db2.gz AFCKEOPZWNDDMK-SNVBAGLBSA-N 1 2 251.374 3.485 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331343886 264196071 /nfs/dbraw/zinc/19/60/71/264196071.db2.gz LBUVXIBBNSQBIW-UKRRQHHQSA-N 1 2 285.391 3.030 20 30 CGEDLO CCOC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000331302940 264200694 /nfs/dbraw/zinc/20/06/94/264200694.db2.gz FHKCGAPLCJLPEQ-CQSZACIVSA-N 1 2 293.411 3.394 20 30 CGEDLO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331360222 264209387 /nfs/dbraw/zinc/20/93/87/264209387.db2.gz XOIXHEXMZINQAE-ZFWWWQNUSA-N 1 2 299.418 3.204 20 30 CGEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)c1 ZINC000343256451 264222476 /nfs/dbraw/zinc/22/24/76/264222476.db2.gz YXGXZNANJRUETG-HNNXBMFYSA-N 1 2 286.375 3.144 20 30 CGEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000343256451 264222479 /nfs/dbraw/zinc/22/24/79/264222479.db2.gz YXGXZNANJRUETG-HNNXBMFYSA-N 1 2 286.375 3.144 20 30 CGEDLO C#CCCOc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000093582514 264512931 /nfs/dbraw/zinc/51/29/31/264512931.db2.gz HERKNQBROBMFBY-UHFFFAOYSA-N 1 2 286.400 3.177 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000093582514 264512932 /nfs/dbraw/zinc/51/29/32/264512932.db2.gz HERKNQBROBMFBY-UHFFFAOYSA-N 1 2 286.400 3.177 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C(C)=O)ccc1OCC)C1CC1 ZINC000357551728 266321173 /nfs/dbraw/zinc/32/11/73/266321173.db2.gz KXUPOTYHBFBKOG-UHFFFAOYSA-N 1 2 273.376 3.438 20 30 CGEDLO C=CC[N@H+](Cc1cc(C(C)=O)ccc1OCC)C1CC1 ZINC000357551728 266321176 /nfs/dbraw/zinc/32/11/76/266321176.db2.gz KXUPOTYHBFBKOG-UHFFFAOYSA-N 1 2 273.376 3.438 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CC)O1 ZINC000398385534 266379613 /nfs/dbraw/zinc/37/96/13/266379613.db2.gz OVIBEQYPNJGQJW-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](CC)O1 ZINC000398385534 266379616 /nfs/dbraw/zinc/37/96/16/266379616.db2.gz OVIBEQYPNJGQJW-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@@H](CC)O1 ZINC000398385536 266380242 /nfs/dbraw/zinc/38/02/42/266380242.db2.gz OVIBEQYPNJGQJW-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000179316564 266561222 /nfs/dbraw/zinc/56/12/22/266561222.db2.gz HRLPQMCYWDYXIX-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000179316564 266561226 /nfs/dbraw/zinc/56/12/26/266561226.db2.gz HRLPQMCYWDYXIX-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)no1 ZINC000363285378 267084904 /nfs/dbraw/zinc/08/49/04/267084904.db2.gz JLNADFIIZWTULJ-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)no1 ZINC000363285378 267084909 /nfs/dbraw/zinc/08/49/09/267084909.db2.gz JLNADFIIZWTULJ-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO C[C@H](C#N)C[N@H+](CC1=Cc2ccccc2OC1)C1CC1 ZINC000354045047 278133103 /nfs/dbraw/zinc/13/31/03/278133103.db2.gz OYOSQFUSBKCBHK-CYBMUJFWSA-N 1 2 268.360 3.086 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CC1=Cc2ccccc2OC1)C1CC1 ZINC000354045047 278133104 /nfs/dbraw/zinc/13/31/04/278133104.db2.gz OYOSQFUSBKCBHK-CYBMUJFWSA-N 1 2 268.360 3.086 20 30 CGEDLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(Br)cc1C#N ZINC000553892286 289244494 /nfs/dbraw/zinc/24/44/94/289244494.db2.gz LYDVMUDWTFHXLO-UWVGGRQHSA-N 1 2 279.181 3.303 20 30 CGEDLO Cc1cc([NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1N1CCOCC1 ZINC000185896654 327850490 /nfs/dbraw/zinc/85/04/90/327850490.db2.gz UALGTPMWXVMKAT-CVEARBPZSA-N 1 2 299.418 3.326 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000339174718 327998854 /nfs/dbraw/zinc/99/88/54/327998854.db2.gz QAPNZYGWQYUFMF-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339574381 328011875 /nfs/dbraw/zinc/01/18/75/328011875.db2.gz PCLQMSDCGAGZNK-CHWSQXEVSA-N 1 2 290.432 3.243 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339574381 328011877 /nfs/dbraw/zinc/01/18/77/328011877.db2.gz PCLQMSDCGAGZNK-CHWSQXEVSA-N 1 2 290.432 3.243 20 30 CGEDLO Cc1ccc2ccccc2c1C[NH+]1CC(C)(C#N)C1 ZINC000563354268 328057770 /nfs/dbraw/zinc/05/77/70/328057770.db2.gz NAOKXJNTKMXYDC-UHFFFAOYSA-N 1 2 250.345 3.494 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000411747190 328098789 /nfs/dbraw/zinc/09/87/89/328098789.db2.gz VKYXRZRAOCXNIB-ZDUSSCGKSA-N 1 2 253.349 3.149 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000411747190 328098791 /nfs/dbraw/zinc/09/87/91/328098791.db2.gz VKYXRZRAOCXNIB-ZDUSSCGKSA-N 1 2 253.349 3.149 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000271134820 328195043 /nfs/dbraw/zinc/19/50/43/328195043.db2.gz QVSXKZKIVCQUOI-LBPRGKRZSA-N 1 2 288.782 3.117 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000271134820 328195044 /nfs/dbraw/zinc/19/50/44/328195044.db2.gz QVSXKZKIVCQUOI-LBPRGKRZSA-N 1 2 288.782 3.117 20 30 CGEDLO N#CCCCNc1nc(NCCCC#N)c2ccccc2[nH+]1 ZINC000273335954 328204938 /nfs/dbraw/zinc/20/49/38/328204938.db2.gz MUSWVNSHYCZJDH-UHFFFAOYSA-N 1 2 294.362 3.061 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000274199151 328209233 /nfs/dbraw/zinc/20/92/33/328209233.db2.gz RHSSZYHLMHASPA-ZDUSSCGKSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000274199151 328209235 /nfs/dbraw/zinc/20/92/35/328209235.db2.gz RHSSZYHLMHASPA-ZDUSSCGKSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c(C)[nH+]1 ZINC000158603288 321818735 /nfs/dbraw/zinc/81/87/35/321818735.db2.gz ULMURVQYNZLMAA-UHFFFAOYSA-N 1 2 285.734 3.476 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428086074 328490633 /nfs/dbraw/zinc/49/06/33/328490633.db2.gz CRPNEEUVTLRRSQ-GOEBONIOSA-N 1 2 291.391 3.244 20 30 CGEDLO N#CCCC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000563885429 328549514 /nfs/dbraw/zinc/54/95/14/328549514.db2.gz NSZBERPCPWKLFF-UHFFFAOYSA-N 1 2 299.422 3.006 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2cccc(CC#N)c2)c1 ZINC000313448171 327131522 /nfs/dbraw/zinc/13/15/22/327131522.db2.gz NENNBLSQZFUJCM-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO N#CCc1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000048695425 327279838 /nfs/dbraw/zinc/27/98/38/327279838.db2.gz ZDGSAKIIYXBZNM-UHFFFAOYSA-N 1 2 262.316 3.012 20 30 CGEDLO CC1(C#N)CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000560144966 327286890 /nfs/dbraw/zinc/28/68/90/327286890.db2.gz GPIWFMKZTGBBDF-UHFFFAOYSA-N 1 2 295.390 3.211 20 30 CGEDLO C=CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000566421304 327356760 /nfs/dbraw/zinc/35/67/60/327356760.db2.gz YGKVTMYGQWUMGF-UHFFFAOYSA-N 1 2 283.375 3.349 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cccc(C(=O)OC)c1Cl ZINC000362977331 327405698 /nfs/dbraw/zinc/40/56/98/327405698.db2.gz QEZVKNKLKIWMHF-UHFFFAOYSA-N 1 2 279.767 3.301 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000570580295 327601820 /nfs/dbraw/zinc/60/18/20/327601820.db2.gz RQFXVAWIWJHCHG-CQSZACIVSA-N 1 2 280.293 3.339 20 30 CGEDLO CC(C)(C)c1nc(C[NH2+]CC(C)(C)C#N)cs1 ZINC000168926870 329062143 /nfs/dbraw/zinc/06/21/43/329062143.db2.gz GHJSPXPNSDUSMZ-UHFFFAOYSA-N 1 2 251.399 3.080 20 30 CGEDLO Cc1csc([C@@H]2CCCN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000582841366 329276668 /nfs/dbraw/zinc/27/66/68/329276668.db2.gz SYKPCQKISVKRBM-CYBMUJFWSA-N 1 2 298.415 3.411 20 30 CGEDLO C=CCOc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000192149095 329429420 /nfs/dbraw/zinc/42/94/20/329429420.db2.gz QNDQUKHCRIYPGM-UHFFFAOYSA-N 1 2 258.296 3.398 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000424558121 330375675 /nfs/dbraw/zinc/37/56/75/330375675.db2.gz DWMMHAFCFATRBH-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCOCC1 ZINC000424567821 330379899 /nfs/dbraw/zinc/37/98/99/330379899.db2.gz RBDMQSGJKJWASF-UHFFFAOYSA-N 1 2 299.374 3.183 20 30 CGEDLO COC(=O)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1Cl ZINC000451066738 331014597 /nfs/dbraw/zinc/01/45/97/331014597.db2.gz VCEOSRHJCJFTPL-UHFFFAOYSA-N 1 2 294.782 3.108 20 30 CGEDLO COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1Cl ZINC000451066738 331014598 /nfs/dbraw/zinc/01/45/98/331014598.db2.gz VCEOSRHJCJFTPL-UHFFFAOYSA-N 1 2 294.782 3.108 20 30 CGEDLO C=CC(C)(C)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454734940 331152561 /nfs/dbraw/zinc/15/25/61/331152561.db2.gz ZIPGLMIHGAIQKU-UHFFFAOYSA-N 1 2 298.390 3.421 20 30 CGEDLO C=C(C)CC[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000459604842 331290364 /nfs/dbraw/zinc/29/03/64/331290364.db2.gz BMLCGYPVSQGYGE-HNNXBMFYSA-N 1 2 261.365 3.073 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000488839866 332028659 /nfs/dbraw/zinc/02/86/59/332028659.db2.gz OOBNRLJUKVJSOH-KRWDZBQOSA-N 1 2 295.386 3.112 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc2c(C)cccn12)c1ccc(F)cc1 ZINC000491415828 332207742 /nfs/dbraw/zinc/20/77/42/332207742.db2.gz INKDHCRIFRSFNW-KRWDZBQOSA-N 1 2 293.345 3.246 20 30 CGEDLO C#CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C1CC1 ZINC000491430126 332210477 /nfs/dbraw/zinc/21/04/77/332210477.db2.gz XOBWTEHJBRPPFW-UHFFFAOYSA-N 1 2 274.311 3.068 20 30 CGEDLO C#CC[N@H+](Cc1sc(C)nc1C(F)(F)F)C1CC1 ZINC000491430126 332210479 /nfs/dbraw/zinc/21/04/79/332210479.db2.gz XOBWTEHJBRPPFW-UHFFFAOYSA-N 1 2 274.311 3.068 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(F)cc1 ZINC000491634295 332255752 /nfs/dbraw/zinc/25/57/52/332255752.db2.gz UXEIYIVCJAPEJV-GFCCVEGCSA-N 1 2 297.255 3.032 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(F)cc1 ZINC000491707442 332300177 /nfs/dbraw/zinc/30/01/77/332300177.db2.gz ORZYHLFMYCTDKL-MRXNPFEDSA-N 1 2 271.339 3.067 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000491716803 332306432 /nfs/dbraw/zinc/30/64/32/332306432.db2.gz UTPGPSXSMXZIGB-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000491716803 332306433 /nfs/dbraw/zinc/30/64/33/332306433.db2.gz UTPGPSXSMXZIGB-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO CC(C)CCc1noc(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000575398403 335100109 /nfs/dbraw/zinc/10/01/09/335100109.db2.gz LFZVJPKTKPAECS-UHFFFAOYSA-N 1 2 290.411 3.174 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(C)o2)n1 ZINC000491724198 332308750 /nfs/dbraw/zinc/30/87/50/332308750.db2.gz FAXCXNGSTVPDPX-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(C)o2)n1 ZINC000491724198 332308751 /nfs/dbraw/zinc/30/87/51/332308751.db2.gz FAXCXNGSTVPDPX-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO C=CC[C@H]1N(C(=O)/C=C/c2[nH]cc[nH+]2)CCCC1(C)C ZINC000493425513 332439916 /nfs/dbraw/zinc/43/99/16/332439916.db2.gz DDVSCNBHNVNONS-SBDDDAINSA-N 1 2 273.380 3.016 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@](C)(CCC)C(=O)OC)cc1 ZINC000498660712 332571494 /nfs/dbraw/zinc/57/14/94/332571494.db2.gz USOFCLMXBMYLQQ-KRWDZBQOSA-N 1 2 291.391 3.073 20 30 CGEDLO C=CCCCC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000175132700 333015186 /nfs/dbraw/zinc/01/51/86/333015186.db2.gz PXQAPUOXNZZMMM-UHFFFAOYSA-N 1 2 274.408 3.376 20 30 CGEDLO C=CCCCC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000175132700 333015187 /nfs/dbraw/zinc/01/51/87/333015187.db2.gz PXQAPUOXNZZMMM-UHFFFAOYSA-N 1 2 274.408 3.376 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000521742892 333186462 /nfs/dbraw/zinc/18/64/62/333186462.db2.gz RMSTYPXTFJOLOD-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO CCC(CC)n1ccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000227354019 333281524 /nfs/dbraw/zinc/28/15/24/333281524.db2.gz GUEWDAIOOPSSGP-UHFFFAOYSA-N 1 2 274.412 3.370 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000576097849 335152879 /nfs/dbraw/zinc/15/28/79/335152879.db2.gz QJAAADUDLIYLFP-UHFFFAOYSA-N 1 2 292.342 3.317 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)o1 ZINC000174475223 335156552 /nfs/dbraw/zinc/15/65/52/335156552.db2.gz AHGRQTIBCYVESY-UHFFFAOYSA-N 1 2 279.299 3.096 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548098043 334139912 /nfs/dbraw/zinc/13/99/12/334139912.db2.gz HHHYFVNLQIYOQY-BETUJISGSA-N 1 2 290.432 3.386 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548098043 334139913 /nfs/dbraw/zinc/13/99/13/334139913.db2.gz HHHYFVNLQIYOQY-BETUJISGSA-N 1 2 290.432 3.386 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000183829084 335908562 /nfs/dbraw/zinc/90/85/62/335908562.db2.gz RIYCWFLNXCAHFR-AWEZNQCLSA-N 1 2 296.418 3.419 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000135125790 533913476 /nfs/dbraw/zinc/91/34/76/533913476.db2.gz RLRGGSIQMZTZOJ-VIFPVBQESA-N 1 2 262.259 3.280 20 30 CGEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000336011418 517936358 /nfs/dbraw/zinc/93/63/58/517936358.db2.gz CJITZXIZIYRROE-AWEZNQCLSA-N 1 2 269.373 3.134 20 30 CGEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000336011418 517936375 /nfs/dbraw/zinc/93/63/75/517936375.db2.gz CJITZXIZIYRROE-AWEZNQCLSA-N 1 2 269.373 3.134 20 30 CGEDLO Cc1csc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358574264 534819857 /nfs/dbraw/zinc/81/98/57/534819857.db2.gz RRDYSTAVTJAWFS-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1c(F)ccc(O)c1F ZINC000352830441 526325474 /nfs/dbraw/zinc/32/54/74/526325474.db2.gz KBGRFUQLHMAEKY-UHFFFAOYSA-N 1 2 293.313 3.494 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1c(F)ccc(O)c1F ZINC000352830441 526325476 /nfs/dbraw/zinc/32/54/76/526325476.db2.gz KBGRFUQLHMAEKY-UHFFFAOYSA-N 1 2 293.313 3.494 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000355444566 527643829 /nfs/dbraw/zinc/64/38/29/527643829.db2.gz FYAZNFGOSNTRQO-UHFFFAOYSA-N 1 2 289.766 3.163 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000336442828 528841069 /nfs/dbraw/zinc/84/10/69/528841069.db2.gz LJAFXYOVGSPTQT-UHFFFAOYSA-N 1 2 273.311 3.093 20 30 CGEDLO CC[C@@H](NC(=O)CCC1CCOCC1)c1[nH]cc[nH+]1 ZINC000330133102 529265872 /nfs/dbraw/zinc/26/58/72/529265872.db2.gz QWVLIFLKATXSCL-GFCCVEGCSA-N 1 2 265.357 3.024 20 30 CGEDLO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(C#N)cc1 ZINC000453309911 535923940 /nfs/dbraw/zinc/92/39/40/535923940.db2.gz FBNWUXQURLXDEY-AWEZNQCLSA-N 1 2 288.782 3.186 20 30 CGEDLO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ncc(C)s1 ZINC000124286407 536646623 /nfs/dbraw/zinc/64/66/23/536646623.db2.gz FRDPHHKLVKADFK-LLVKDONJSA-N 1 2 287.388 3.183 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cnc3ccccc3n2)cc1 ZINC000727256834 571734127 /nfs/dbraw/zinc/73/41/27/571734127.db2.gz VXHUEEOZWXWIDP-UHFFFAOYSA-N 1 2 291.358 3.142 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CCSC(C)(C)C ZINC000727264957 571734749 /nfs/dbraw/zinc/73/47/49/571734749.db2.gz BLWZRDBZONRSBQ-XNTDXEJSSA-N 1 2 267.394 3.351 20 30 CGEDLO C=C(Br)C[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000728686225 571815375 /nfs/dbraw/zinc/81/53/75/571815375.db2.gz NHGHTBVNLOTGJG-UHFFFAOYSA-N 1 2 296.208 3.352 20 30 CGEDLO C=C(Br)C[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000728686225 571815377 /nfs/dbraw/zinc/81/53/77/571815377.db2.gz NHGHTBVNLOTGJG-UHFFFAOYSA-N 1 2 296.208 3.352 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCCC)cc1 ZINC000730095360 571948448 /nfs/dbraw/zinc/94/84/48/571948448.db2.gz DSOOVUSRXLHVKP-KRWDZBQOSA-N 1 2 284.403 3.065 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCCC)cc1 ZINC000730095360 571948449 /nfs/dbraw/zinc/94/84/49/571948449.db2.gz DSOOVUSRXLHVKP-KRWDZBQOSA-N 1 2 284.403 3.065 20 30 CGEDLO c1ccc2c(NN=C3CCOc4ccccc43)cc[nH+]c2c1 ZINC000730147303 571950889 /nfs/dbraw/zinc/95/08/89/571950889.db2.gz ATQCFWYYASYFRG-UHFFFAOYSA-N 1 2 289.338 3.255 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc(F)ccc1O ZINC000730147674 571950984 /nfs/dbraw/zinc/95/09/84/571950984.db2.gz IBHCDGAGYPDZGR-UHFFFAOYSA-N 1 2 295.317 3.338 20 30 CGEDLO Cc1ccsc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147693 571951172 /nfs/dbraw/zinc/95/11/72/571951172.db2.gz IMQCSLNSMPRJQO-UHFFFAOYSA-N 1 2 267.357 3.473 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCc2ccc(C)c(OC)c2)c1 ZINC000741165776 572361061 /nfs/dbraw/zinc/36/10/61/572361061.db2.gz RYGRRKZZACGNQA-UNOMPAQXSA-N 1 2 299.370 3.379 20 30 CGEDLO Cc1cccc(C)c1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000738288672 572370071 /nfs/dbraw/zinc/37/00/71/572370071.db2.gz JJEXVJWNBLSCFO-UHFFFAOYSA-N 1 2 272.323 3.280 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(N2CCCCC2)cc1 ZINC000731156734 572398332 /nfs/dbraw/zinc/39/83/32/572398332.db2.gz KMGKDIRBJKZZKL-CMDGGOBGSA-N 1 2 281.359 3.296 20 30 CGEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)CO2 ZINC000731159510 572398753 /nfs/dbraw/zinc/39/87/53/572398753.db2.gz RXSPSGKEABSWSF-XYOKQWHBSA-N 1 2 268.316 3.192 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000741465839 572413497 /nfs/dbraw/zinc/41/34/97/572413497.db2.gz YVZNJLZGRYAKIC-KBXPJEPISA-N 1 2 281.355 3.451 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2C[C@H]2C2CCCCC2)c1O ZINC000741463732 572499814 /nfs/dbraw/zinc/49/98/14/572499814.db2.gz HZAKUOBJFMBXSH-KQLQBFTNSA-N 1 2 259.349 3.486 20 30 CGEDLO Oc1cccc(/C=[NH+]\[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000741465027 572500901 /nfs/dbraw/zinc/50/09/01/572500901.db2.gz SCFFNJOWKBUCDQ-QIWHAVBOSA-N 1 2 267.328 3.148 20 30 CGEDLO Oc1cccc(/C=[NH+]\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC000741843810 572533837 /nfs/dbraw/zinc/53/38/37/572533837.db2.gz MHMODHXIADPUSK-UUMQHJJASA-N 1 2 259.349 3.486 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2CCSCC2)c1O ZINC000733205022 572542670 /nfs/dbraw/zinc/54/26/70/572542670.db2.gz HXHGLFFMCVTNQL-LFIBNONCSA-N 1 2 279.405 3.353 20 30 CGEDLO CC(C)c1cnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000733306445 572554497 /nfs/dbraw/zinc/55/44/97/572554497.db2.gz AXNORYISTBZVMH-UHFFFAOYSA-N 1 2 269.348 3.302 20 30 CGEDLO CC(C)c1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000733306445 572554498 /nfs/dbraw/zinc/55/44/98/572554498.db2.gz AXNORYISTBZVMH-UHFFFAOYSA-N 1 2 269.348 3.302 20 30 CGEDLO C[C@@H]1CCCC[C@H]1CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000733903657 572611343 /nfs/dbraw/zinc/61/13/43/572611343.db2.gz NWJNPJJNAUVBDC-VGZAMENASA-N 1 2 277.364 3.439 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/[C@H]1CCSC1 ZINC000743043808 572636088 /nfs/dbraw/zinc/63/60/88/572636088.db2.gz AMRMQAVPZXAIFT-RGZVIEDOSA-N 1 2 257.358 3.470 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]/CC[C@@H]2CCC[C@H](C)C2)c1O ZINC000734366567 572649827 /nfs/dbraw/zinc/64/98/27/572649827.db2.gz XNXQCYMTKIEHSC-KCELOSIBSA-N 1 2 290.407 3.223 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/[C@@H](C)CCc1cccn1C ZINC000741845840 572720210 /nfs/dbraw/zinc/72/02/10/572720210.db2.gz WZUOMIGEQLWQOK-HTMJNSLASA-N 1 2 286.375 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@H](C)OC)n1)C(C)C ZINC000747524698 572934143 /nfs/dbraw/zinc/93/41/43/572934143.db2.gz NQDXPXFPMBSWBT-NSHDSACASA-N 1 2 254.399 3.247 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@H](C)OC)n1)C(C)C ZINC000747524698 572934144 /nfs/dbraw/zinc/93/41/44/572934144.db2.gz NQDXPXFPMBSWBT-NSHDSACASA-N 1 2 254.399 3.247 20 30 CGEDLO COc1cccc(/C=[NH+]\CCc2cccc(C)c2)c1O ZINC000749105959 572989232 /nfs/dbraw/zinc/98/92/32/572989232.db2.gz ZTALSFWBOPFGSP-PDGQHHTCSA-N 1 2 269.344 3.371 20 30 CGEDLO COc1cccc(/C=[NH+]/CCc2cccc(C)c2)c1O ZINC000749105957 572989240 /nfs/dbraw/zinc/98/92/40/572989240.db2.gz ZTALSFWBOPFGSP-LDADJPATSA-N 1 2 269.344 3.371 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000948557700 613320561 /nfs/dbraw/zinc/32/05/61/613320561.db2.gz GFGMSJSWAUPPJB-UHFFFAOYSA-N 1 2 292.448 3.035 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964775491 613375601 /nfs/dbraw/zinc/37/56/01/613375601.db2.gz SIRVWWRYEQAVDA-DOMZBBRYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964775491 613375602 /nfs/dbraw/zinc/37/56/02/613375602.db2.gz SIRVWWRYEQAVDA-DOMZBBRYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCCCN(CC)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000890809671 617865304 /nfs/dbraw/zinc/86/53/04/617865304.db2.gz ZELXHPLSMGKZKD-HNNXBMFYSA-N 1 2 277.412 3.285 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)CCOC)c1cccc(C#N)c1O ZINC000926167014 618224204 /nfs/dbraw/zinc/22/42/04/618224204.db2.gz MGKOLCNAGSVLRB-OAHLLOKOSA-N 1 2 290.407 3.367 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1C1CCCC1 ZINC000891466009 618227526 /nfs/dbraw/zinc/22/75/26/618227526.db2.gz YCAANQWQGPZESA-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1C1CCCC1 ZINC000891466009 618227527 /nfs/dbraw/zinc/22/75/27/618227527.db2.gz YCAANQWQGPZESA-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(C)c1C1CC1 ZINC000891937212 618395109 /nfs/dbraw/zinc/39/51/09/618395109.db2.gz BSPIBAJONCLKJG-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(C)c1C1CC1 ZINC000891937212 618395112 /nfs/dbraw/zinc/39/51/12/618395112.db2.gz BSPIBAJONCLKJG-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3c(F)cccc3C2)cs1 ZINC000892005316 618484418 /nfs/dbraw/zinc/48/44/18/618484418.db2.gz SHDTTYGQFLKUDT-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3c(F)cccc3C2)cs1 ZINC000892005316 618484425 /nfs/dbraw/zinc/48/44/25/618484425.db2.gz SHDTTYGQFLKUDT-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468019 618626032 /nfs/dbraw/zinc/62/60/32/618626032.db2.gz YHFZEXGLAQBENE-NWDGAFQWSA-N 1 2 269.348 3.047 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468019 618626036 /nfs/dbraw/zinc/62/60/36/618626036.db2.gz YHFZEXGLAQBENE-NWDGAFQWSA-N 1 2 269.348 3.047 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3ccccn13)C2 ZINC000176939186 618763644 /nfs/dbraw/zinc/76/36/44/618763644.db2.gz RDQSYSJKJXXWNH-UKTHLTGXSA-N 1 2 290.322 3.165 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000309691479 618764867 /nfs/dbraw/zinc/76/48/67/618764867.db2.gz PWKWXBQOMSZZTD-UHFFFAOYSA-N 1 2 258.152 3.028 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1O ZINC000926617043 618781439 /nfs/dbraw/zinc/78/14/39/618781439.db2.gz MYQROQSUXUHULJ-XFMPKHEZSA-N 1 2 256.349 3.103 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)c1cccc(C#N)c1O ZINC000926792894 618894229 /nfs/dbraw/zinc/89/42/29/618894229.db2.gz WIJHCISDXNEJBC-YRGRVCCFSA-N 1 2 276.405 3.199 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC(C)(C)CCOC)c1 ZINC000183621546 619045866 /nfs/dbraw/zinc/04/58/66/619045866.db2.gz GRHOVSJHLPXVNH-GZTJUZNOSA-N 1 2 279.380 3.273 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nccn1C1CC1 ZINC000893420554 619170777 /nfs/dbraw/zinc/17/07/77/619170777.db2.gz MKGOZSYBTARYRP-UHFFFAOYSA-N 1 2 271.364 3.042 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nccn1C1CC1 ZINC000893420554 619170780 /nfs/dbraw/zinc/17/07/80/619170780.db2.gz MKGOZSYBTARYRP-UHFFFAOYSA-N 1 2 271.364 3.042 20 30 CGEDLO CCn1cc(C[N@H+](CC)CCC#N)c(-c2ccccc2)n1 ZINC000893923131 619333776 /nfs/dbraw/zinc/33/37/76/619333776.db2.gz JFWLACQGVZARIT-UHFFFAOYSA-N 1 2 282.391 3.306 20 30 CGEDLO CCn1cc(C[N@@H+](CC)CCC#N)c(-c2ccccc2)n1 ZINC000893923131 619333779 /nfs/dbraw/zinc/33/37/79/619333779.db2.gz JFWLACQGVZARIT-UHFFFAOYSA-N 1 2 282.391 3.306 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1[nH]nc(C)c1C ZINC000893908836 619334381 /nfs/dbraw/zinc/33/43/81/619334381.db2.gz DDZDJVINLZQXDC-UHFFFAOYSA-N 1 2 261.394 3.276 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1[nH]nc(C)c1C ZINC000893908836 619334383 /nfs/dbraw/zinc/33/43/83/619334383.db2.gz DDZDJVINLZQXDC-UHFFFAOYSA-N 1 2 261.394 3.276 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1cccc(F)c1)C1CC1 ZINC000894085145 619366348 /nfs/dbraw/zinc/36/63/48/619366348.db2.gz PGIOFFSTZCFCMD-DXTPNHAXSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1cccc(F)c1)C1CC1 ZINC000894085145 619366350 /nfs/dbraw/zinc/36/63/50/619366350.db2.gz PGIOFFSTZCFCMD-DXTPNHAXSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@H](NN=Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000793115198 619680191 /nfs/dbraw/zinc/68/01/91/619680191.db2.gz PUXISFNIUFCTAO-ZDUSSCGKSA-N 1 2 270.380 3.230 20 30 CGEDLO CCn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000895336026 619807442 /nfs/dbraw/zinc/80/74/42/619807442.db2.gz RGDJTVOVFJCMIK-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO CCn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000895336026 619807444 /nfs/dbraw/zinc/80/74/44/619807444.db2.gz RGDJTVOVFJCMIK-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cs1 ZINC000895436437 619828118 /nfs/dbraw/zinc/82/81/18/619828118.db2.gz AJGOPASPAHRTPX-UHFFFAOYSA-N 1 2 288.416 3.011 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cs1 ZINC000895436437 619828121 /nfs/dbraw/zinc/82/81/21/619828121.db2.gz AJGOPASPAHRTPX-UHFFFAOYSA-N 1 2 288.416 3.011 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OCCC ZINC000303923103 620195859 /nfs/dbraw/zinc/19/58/59/620195859.db2.gz PDXDUASXMVJTJW-AWEZNQCLSA-N 1 2 261.365 3.016 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OCCC ZINC000303923103 620195863 /nfs/dbraw/zinc/19/58/63/620195863.db2.gz PDXDUASXMVJTJW-AWEZNQCLSA-N 1 2 261.365 3.016 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)sn1 ZINC000897625142 620412694 /nfs/dbraw/zinc/41/26/94/620412694.db2.gz FIMHKFKJFVOOHE-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)sn1 ZINC000897625142 620412699 /nfs/dbraw/zinc/41/26/99/620412699.db2.gz FIMHKFKJFVOOHE-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO C#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000898505401 620593256 /nfs/dbraw/zinc/59/32/56/620593256.db2.gz NGLMERXIFUSMON-UHFFFAOYSA-N 1 2 277.371 3.144 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CC[C@@H]1CCC2(CCC2)O1 ZINC000899227738 620627205 /nfs/dbraw/zinc/62/72/05/620627205.db2.gz QWKVSHVBNFROOG-VMOJBDSFSA-N 1 2 259.349 3.303 20 30 CGEDLO CCN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000901281592 620848249 /nfs/dbraw/zinc/84/82/49/620848249.db2.gz UPDLKXNLNDNXFJ-UHFFFAOYSA-N 1 2 260.168 3.003 20 30 CGEDLO Cc1cccc2c1[C@H](C)/C(=C/c1c[nH+]cn1C)C2=O ZINC000901488393 620898217 /nfs/dbraw/zinc/89/82/17/620898217.db2.gz KCPDXVVKSFMPLI-DKTFCQPKSA-N 1 2 252.317 3.112 20 30 CGEDLO COc1ccc(O)cc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901492605 620899611 /nfs/dbraw/zinc/89/96/11/620899611.db2.gz XUYFRQLIJIYQTL-XQRVVYSFSA-N 1 2 286.331 3.074 20 30 CGEDLO Cc1[nH]c(/C=C2/C(=O)c3ccccc3[C@@H]2C)[nH+]c1C ZINC000901505772 620904085 /nfs/dbraw/zinc/90/40/85/620904085.db2.gz GQPNVHYIGATKOB-PFMRQGHBSA-N 1 2 252.317 3.410 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2ccc3c(c2)CCCO3)[nH+]c1C ZINC000901540062 620919801 /nfs/dbraw/zinc/91/98/01/620919801.db2.gz MULWEJWPIPXZFD-SOFGYWHQSA-N 1 2 282.343 3.248 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cccc2c1OCO2 ZINC000901517368 620924815 /nfs/dbraw/zinc/92/48/15/620924815.db2.gz IPCWQDCPYGEOIL-SREVYHEPSA-N 1 2 284.315 3.089 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)ccc1OC ZINC000905861531 622118058 /nfs/dbraw/zinc/11/80/58/622118058.db2.gz HYWRGMNEVFFKLX-DOMZBBRYSA-N 1 2 289.354 3.319 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccsc1 ZINC000172544425 623253496 /nfs/dbraw/zinc/25/34/96/623253496.db2.gz IPDDLIDYTUHCKW-SNAWJCMRSA-N 1 2 254.314 3.292 20 30 CGEDLO CC(=[NH+]OC1CCCCC1)c1cc([N+](=O)[O-])ccc1N ZINC000814910065 623621255 /nfs/dbraw/zinc/62/12/55/623621255.db2.gz POBDTHKWJGXOEF-UHFFFAOYSA-N 1 2 277.324 3.250 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H](C)c2nccs2)c(O)c1 ZINC000753993000 623746857 /nfs/dbraw/zinc/74/68/57/623746857.db2.gz BYSJMPRKCUJGKK-HPUUJOOBSA-N 1 2 290.388 3.470 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990134 623774926 /nfs/dbraw/zinc/77/49/26/623774926.db2.gz XYRVQJLYSMJUKO-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990134 623774951 /nfs/dbraw/zinc/77/49/51/623774951.db2.gz XYRVQJLYSMJUKO-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000834999075 623846022 /nfs/dbraw/zinc/84/60/22/623846022.db2.gz QIEAKOWTHLZAHK-ZETCQYMHSA-N 1 2 279.693 3.187 20 30 CGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccccc2)s1 ZINC000916247395 624130245 /nfs/dbraw/zinc/13/02/45/624130245.db2.gz VGOKMJRSSSVESA-UHFFFAOYSA-N 1 2 274.393 3.435 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OC/C=C/c1ccccc1 ZINC000108444203 625849958 /nfs/dbraw/zinc/84/99/58/625849958.db2.gz LECOUIQVLDDTMS-KPKJPENVSA-N 1 2 266.344 3.231 20 30 CGEDLO C=CCn1ncc2ccc(NCc3[nH]c(C)c(C)[nH+]3)cc21 ZINC000922901140 626099869 /nfs/dbraw/zinc/09/98/69/626099869.db2.gz NFTOAYJLJRQHOV-UHFFFAOYSA-N 1 2 281.363 3.174 20 30 CGEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccnc2ccccc21 ZINC000752729851 626436287 /nfs/dbraw/zinc/43/62/87/626436287.db2.gz DGLQMUIFAGSFSF-UHFFFAOYSA-N 1 2 290.370 3.302 20 30 CGEDLO Cn1c[nH+]cc1CON=C1c2ccccc2-c2ccccc21 ZINC000753117352 626445898 /nfs/dbraw/zinc/44/58/98/626445898.db2.gz HXRBIELOQVXOME-UHFFFAOYSA-N 1 2 289.338 3.370 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000753586825 626457141 /nfs/dbraw/zinc/45/71/41/626457141.db2.gz JTAGQIZMDGMZID-AWEZNQCLSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000753586825 626457142 /nfs/dbraw/zinc/45/71/42/626457142.db2.gz JTAGQIZMDGMZID-AWEZNQCLSA-N 1 2 264.756 3.171 20 30 CGEDLO C=CCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754514923 626574011 /nfs/dbraw/zinc/57/40/11/626574011.db2.gz BKBNMFSIVUJMNL-UHFFFAOYSA-N 1 2 270.332 3.272 20 30 CGEDLO C#CCCCNc1[nH+]cccc1OCc1ccccc1 ZINC000760550635 626977875 /nfs/dbraw/zinc/97/78/75/626977875.db2.gz FOUSOKPGRVXGQO-UHFFFAOYSA-N 1 2 266.344 3.486 20 30 CGEDLO CCCCCCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000762406126 627108607 /nfs/dbraw/zinc/10/86/07/627108607.db2.gz FPTYYQNRVLHCSH-UHFFFAOYSA-N 1 2 276.384 3.297 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(C#N)s3)n21 ZINC000762443686 627110135 /nfs/dbraw/zinc/11/01/35/627110135.db2.gz QUXGKKRWODXEHV-FNORWQNLSA-N 1 2 293.351 3.472 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccc([C@H](C)CC)cc1)C1CC1 ZINC000763950078 627186295 /nfs/dbraw/zinc/18/62/95/627186295.db2.gz IYTNMSJHABFLPK-CQSZACIVSA-N 1 2 284.403 3.236 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccc([C@H](C)CC)cc1)C1CC1 ZINC000763950078 627186296 /nfs/dbraw/zinc/18/62/96/627186296.db2.gz IYTNMSJHABFLPK-CQSZACIVSA-N 1 2 284.403 3.236 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1cccc(C(F)(F)F)c1 ZINC000764647826 627216280 /nfs/dbraw/zinc/21/62/80/627216280.db2.gz DFAXWJYVQHIDFW-UHFFFAOYSA-N 1 2 280.253 3.129 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000765052279 627238422 /nfs/dbraw/zinc/23/84/22/627238422.db2.gz JCVCBEVTONVJRX-CQSZACIVSA-N 1 2 296.208 3.092 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000765052279 627238424 /nfs/dbraw/zinc/23/84/24/627238424.db2.gz JCVCBEVTONVJRX-CQSZACIVSA-N 1 2 296.208 3.092 20 30 CGEDLO CCc1noc(C)c1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000769790984 627578386 /nfs/dbraw/zinc/57/83/86/627578386.db2.gz FWQVTZSPAIEZDY-UHFFFAOYSA-N 1 2 294.358 3.352 20 30 CGEDLO C(=NNc1cccc2ncccc21)c1cccc2[nH+]ccn21 ZINC000771096266 627682589 /nfs/dbraw/zinc/68/25/89/627682589.db2.gz DKRWJVBLJJQLCN-UHFFFAOYSA-N 1 2 287.326 3.329 20 30 CGEDLO Cc1cccc(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771100421 627682735 /nfs/dbraw/zinc/68/27/35/627682735.db2.gz YKFPKIOXEWRRFP-UHFFFAOYSA-N 1 2 250.305 3.089 20 30 CGEDLO CC(C)(C#N)CCCO[NH+]=C(N)Cc1cccs1 ZINC000771179350 627688652 /nfs/dbraw/zinc/68/86/52/627688652.db2.gz AXYGBGSLCPWOEE-UHFFFAOYSA-N 1 2 265.382 3.119 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)C1CC1 ZINC000772380382 627789078 /nfs/dbraw/zinc/78/90/78/627789078.db2.gz DWWXRKMYSZLKRD-UHFFFAOYSA-N 1 2 273.311 3.026 20 30 CGEDLO C=CC[N@H+](Cc1nnc(-c2cccc(F)c2)o1)C1CC1 ZINC000772380382 627789081 /nfs/dbraw/zinc/78/90/81/627789081.db2.gz DWWXRKMYSZLKRD-UHFFFAOYSA-N 1 2 273.311 3.026 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000775399045 628090965 /nfs/dbraw/zinc/09/09/65/628090965.db2.gz FHTXDPSXULEKMT-OAHLLOKOSA-N 1 2 293.326 3.184 20 30 CGEDLO CCC[C@@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000775701379 628127087 /nfs/dbraw/zinc/12/70/87/628127087.db2.gz LILFRLABHSGWDS-PKOBYXMFSA-N 1 2 297.446 3.242 20 30 CGEDLO CCC[C@@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000775701379 628127090 /nfs/dbraw/zinc/12/70/90/628127090.db2.gz LILFRLABHSGWDS-PKOBYXMFSA-N 1 2 297.446 3.242 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)c(F)c(F)c1 ZINC000776008669 628157452 /nfs/dbraw/zinc/15/74/52/628157452.db2.gz SHXDJPFUVFCRIE-MRVPVSSYSA-N 1 2 254.255 3.058 20 30 CGEDLO COc1ccc2c(NCC(C)(C)C#N)cc[nH+]c2c1 ZINC000781683408 628584967 /nfs/dbraw/zinc/58/49/67/628584967.db2.gz BLHIADPXXPAGBU-UHFFFAOYSA-N 1 2 255.321 3.205 20 30 CGEDLO CCc1cnc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000784572583 628822930 /nfs/dbraw/zinc/82/29/30/628822930.db2.gz WVXSIXATUVVLLE-UHFFFAOYSA-N 1 2 275.352 3.006 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3cnn(C(C)C)c3)c[nH+]c12 ZINC000125361514 634689408 /nfs/dbraw/zinc/68/94/08/634689408.db2.gz LRJFTFYSPNKZCW-VOTSOKGWSA-N 1 2 294.358 3.316 20 30 CGEDLO CC(C)(C)OCCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000788785851 629081276 /nfs/dbraw/zinc/08/12/76/629081276.db2.gz WRQDZHPWGABMGG-UHFFFAOYSA-N 1 2 282.359 3.058 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792898819 629392371 /nfs/dbraw/zinc/39/23/71/629392371.db2.gz HMJSRXGSWGBMFV-BDAKNGLRSA-N 1 2 299.039 3.411 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792898819 629392374 /nfs/dbraw/zinc/39/23/74/629392374.db2.gz HMJSRXGSWGBMFV-BDAKNGLRSA-N 1 2 299.039 3.411 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccs1 ZINC000119108637 629439972 /nfs/dbraw/zinc/43/99/72/629439972.db2.gz XSWOSPCMIHXPIU-VOTSOKGWSA-N 1 2 254.314 3.292 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CCSC1=S ZINC000794650869 629563545 /nfs/dbraw/zinc/56/35/45/629563545.db2.gz OHBUHRDWEUKZFK-UHFFFAOYSA-N 1 2 292.473 3.356 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CCSC1=S ZINC000794650869 629563547 /nfs/dbraw/zinc/56/35/47/629563547.db2.gz OHBUHRDWEUKZFK-UHFFFAOYSA-N 1 2 292.473 3.356 20 30 CGEDLO C=CC[C@H](CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000798390924 630052467 /nfs/dbraw/zinc/05/24/67/630052467.db2.gz YBQVZBKRYNRHQX-HNNXBMFYSA-N 1 2 298.390 3.026 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(C)c(C#N)c3)cc2[nH+]1 ZINC000799414135 630179462 /nfs/dbraw/zinc/17/94/62/630179462.db2.gz IMOXYHLFWCTGPC-UHFFFAOYSA-N 1 2 290.326 3.304 20 30 CGEDLO C[C@H](C#N)OCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000801929372 630368736 /nfs/dbraw/zinc/36/87/36/630368736.db2.gz LLODKZRGJGXMEK-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@H](C#N)OCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000801929372 630368738 /nfs/dbraw/zinc/36/87/38/630368738.db2.gz LLODKZRGJGXMEK-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO N#Cc1cccc(CO[NH+]=C(N)c2ccc(Cl)cc2)c1 ZINC000836842881 634813210 /nfs/dbraw/zinc/81/32/10/634813210.db2.gz AGHKEAHBMQXWGV-UHFFFAOYSA-N 1 2 285.734 3.049 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000808432219 630644641 /nfs/dbraw/zinc/64/46/41/630644641.db2.gz YBONDYNISHLJLY-BXUZGUMPSA-N 1 2 280.318 3.255 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1nc2c(s1)CCC2 ZINC000814841527 631653624 /nfs/dbraw/zinc/65/36/24/631653624.db2.gz QQRINACPOJWJRH-UHFFFAOYSA-N 1 2 294.383 3.048 20 30 CGEDLO Fc1ccc(N=NCc2cccc3[nH+]ccn32)c(F)c1F ZINC000814945881 631695984 /nfs/dbraw/zinc/69/59/84/631695984.db2.gz VFYNJWLXDLWIAO-UHFFFAOYSA-N 1 2 290.248 3.198 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822841761 633028984 /nfs/dbraw/zinc/02/89/84/633028984.db2.gz PPEQRUYXJNMBKX-GHMZBOCLSA-N 1 2 261.196 3.196 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822841761 633028988 /nfs/dbraw/zinc/02/89/88/633028988.db2.gz PPEQRUYXJNMBKX-GHMZBOCLSA-N 1 2 261.196 3.196 20 30 CGEDLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866288838 633066673 /nfs/dbraw/zinc/06/66/73/633066673.db2.gz PHXAYBXOFMYUJI-OLZOCXBDSA-N 1 2 281.359 3.379 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cccc(C#N)c1O ZINC000866345884 633090890 /nfs/dbraw/zinc/09/08/90/633090890.db2.gz GJXIIPMLIYZSIQ-BXUZGUMPSA-N 1 2 256.349 3.247 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866351938 633094480 /nfs/dbraw/zinc/09/44/80/633094480.db2.gz TZHNYRSJGBLPPL-QWRGUYRKSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(C#N)c1O ZINC000866382118 633113013 /nfs/dbraw/zinc/11/30/13/633113013.db2.gz SXQBRSWMWSHHLN-OIMNJJJWSA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc(C#N)c1O ZINC000866402899 633124284 /nfs/dbraw/zinc/12/42/84/633124284.db2.gz MVGDZVMBQATCRJ-RYUDHWBXSA-N 1 2 276.405 3.058 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(C#N)c1O ZINC000866411581 633126937 /nfs/dbraw/zinc/12/69/37/633126937.db2.gz QEMLGBQOGLOFEG-BXUZGUMPSA-N 1 2 256.349 3.247 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(CSC(F)F)o2)C1 ZINC000826991317 633447236 /nfs/dbraw/zinc/44/72/36/633447236.db2.gz ZVUIVADBZTXDCS-UHFFFAOYSA-N 1 2 272.320 3.081 20 30 CGEDLO Cc1cc(F)c(C#N)cc1NCc1c[nH+]cn1C(C)C ZINC000871868024 633903498 /nfs/dbraw/zinc/90/34/98/633903498.db2.gz KHIQFWVBCPRYFV-UHFFFAOYSA-N 1 2 272.327 3.395 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000832725723 634087082 /nfs/dbraw/zinc/08/70/82/634087082.db2.gz MQEDHLJIEBHDQM-UHFFFAOYSA-N 1 2 299.418 3.294 20 30 CGEDLO C=CCc1cccc(C(C)C)c1NC(=O)Cc1[nH]cc[nH+]1 ZINC000834314655 634139825 /nfs/dbraw/zinc/13/98/25/634139825.db2.gz ODAOBEQEQYDKRA-UHFFFAOYSA-N 1 2 283.375 3.443 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccco1 ZINC000834830268 634250757 /nfs/dbraw/zinc/25/07/57/634250757.db2.gz BDEAWVFOTYYOBV-OLZOCXBDSA-N 1 2 257.337 3.218 20 30 CGEDLO O=[N+]([O-])c1ccc(Cl)cc1N[NH2+]C=C1CC1(F)F ZINC000835009765 634314088 /nfs/dbraw/zinc/31/40/88/634314088.db2.gz ZMTDWXANWYNKIY-LURJTMIESA-N 1 2 275.642 3.301 20 30 CGEDLO C#CCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000877328049 635027567 /nfs/dbraw/zinc/02/75/67/635027567.db2.gz BRXOMWFJCBHXHF-MRXNPFEDSA-N 1 2 282.391 3.067 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCOC(C)(C)C2)c1O ZINC000840710354 635038980 /nfs/dbraw/zinc/03/89/80/635038980.db2.gz QGWPEVLHFIZDSH-ZSAINHDTSA-N 1 2 277.364 3.025 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC[C@@H]2CCOC2)c1 ZINC000840711645 635039961 /nfs/dbraw/zinc/03/99/61/635039961.db2.gz YILLXILVAJFQDL-GPLLRDDGSA-N 1 2 277.364 3.027 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C1CC1 ZINC000877539003 635078549 /nfs/dbraw/zinc/07/85/49/635078549.db2.gz IQZOTOYKDNFXLT-ZDUSSCGKSA-N 1 2 275.783 3.227 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C1CC1 ZINC000877539003 635078554 /nfs/dbraw/zinc/07/85/54/635078554.db2.gz IQZOTOYKDNFXLT-ZDUSSCGKSA-N 1 2 275.783 3.227 20 30 CGEDLO C=C(Br)C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000126789595 635263993 /nfs/dbraw/zinc/26/39/93/635263993.db2.gz SCTITLXVKVGNLQ-UHFFFAOYSA-N 1 2 289.242 3.493 20 30 CGEDLO C#CCCCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000878656958 635593587 /nfs/dbraw/zinc/59/35/87/635593587.db2.gz CJARHBXDZDNKHF-UHFFFAOYSA-N 1 2 279.387 3.382 20 30 CGEDLO C#CCCCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000878656958 635593592 /nfs/dbraw/zinc/59/35/92/635593592.db2.gz CJARHBXDZDNKHF-UHFFFAOYSA-N 1 2 279.387 3.382 20 30 CGEDLO C=CCCC[C@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC000879057132 635691758 /nfs/dbraw/zinc/69/17/58/635691758.db2.gz CNGQERLYNRELPV-INIZCTEOSA-N 1 2 297.402 3.474 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000879193671 635722786 /nfs/dbraw/zinc/72/27/86/635722786.db2.gz AARDMYQGIROPGZ-UHFFFAOYSA-N 1 2 269.747 3.421 20 30 CGEDLO C=CC[C@H]1CC[C@@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000845917870 636118449 /nfs/dbraw/zinc/11/84/49/636118449.db2.gz XPEJHCOEBGMYIG-GOEBONIOSA-N 1 2 274.408 3.272 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)nsc1C)Cc1ccccc1 ZINC000846903944 636277078 /nfs/dbraw/zinc/27/70/78/636277078.db2.gz QJKDHBOZRLGWRP-UHFFFAOYSA-N 1 2 270.401 3.395 20 30 CGEDLO C#CC[N@H+](Cc1c(C)nsc1C)Cc1ccccc1 ZINC000846903944 636277082 /nfs/dbraw/zinc/27/70/82/636277082.db2.gz QJKDHBOZRLGWRP-UHFFFAOYSA-N 1 2 270.401 3.395 20 30 CGEDLO Cc1cccc2c1[C@@H](C)CC2=NNCCCn1cc[nH+]c1 ZINC000848418330 636572895 /nfs/dbraw/zinc/57/28/95/636572895.db2.gz LYTKLGQEMRTKQU-AWEZNQCLSA-N 1 2 282.391 3.083 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000848419874 636573892 /nfs/dbraw/zinc/57/38/92/636573892.db2.gz HUTIMZGRKACZML-UHFFFAOYSA-N 1 2 282.800 3.002 20 30 CGEDLO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cccc(C#N)c1O ZINC000883257338 636626319 /nfs/dbraw/zinc/62/63/19/636626319.db2.gz YQHCNAVJLAHGAN-SNVBAGLBSA-N 1 2 280.318 3.350 20 30 CGEDLO C=CCCCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783218 636656519 /nfs/dbraw/zinc/65/65/19/636656519.db2.gz WULKSJJZOWKSDD-UHFFFAOYSA-N 1 2 258.321 3.156 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000883399327 636739999 /nfs/dbraw/zinc/73/99/99/636739999.db2.gz JPKOLXFYZSTEME-QWRGUYRKSA-N 1 2 253.292 3.003 20 30 CGEDLO COc1ccc(N[NH+]=C(C)c2c(C)cc(N)cc2C)nc1 ZINC000884452068 637029737 /nfs/dbraw/zinc/02/97/37/637029737.db2.gz HTHRUCKULBCGKR-UHFFFAOYSA-N 1 2 284.363 3.125 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(CC)cc2)no1 ZINC000852097843 637590414 /nfs/dbraw/zinc/59/04/14/637590414.db2.gz XXPZGLYGLPZKKN-KRWDZBQOSA-N 1 2 283.375 3.191 20 30 CGEDLO C#CCC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126935 637601183 /nfs/dbraw/zinc/60/11/83/637601183.db2.gz KCMGHHHFQGWMMC-JTQLQIEISA-N 1 2 261.756 3.232 20 30 CGEDLO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000886719840 637670780 /nfs/dbraw/zinc/67/07/80/637670780.db2.gz JHGVKYOQMUNWOC-JSGCOSHPSA-N 1 2 288.391 3.120 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1(SC)CC1 ZINC000853551963 637866731 /nfs/dbraw/zinc/86/67/31/637866731.db2.gz QDJIJNHGSLLHPZ-UHFFFAOYSA-N 1 2 276.405 3.181 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CS[C@H](C)C1 ZINC000853690605 637893485 /nfs/dbraw/zinc/89/34/85/637893485.db2.gz SUVHGWYVTLCHAO-CHWSQXEVSA-N 1 2 276.405 3.180 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccoc1 ZINC000853842463 637939410 /nfs/dbraw/zinc/93/94/10/637939410.db2.gz CHCZTKAHHMKRHG-UHFFFAOYSA-N 1 2 270.332 3.121 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925422493 638501975 /nfs/dbraw/zinc/50/19/75/638501975.db2.gz YXPOWFAQLWXZIS-HNNXBMFYSA-N 1 2 296.370 3.162 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000858142200 638642142 /nfs/dbraw/zinc/64/21/42/638642142.db2.gz VMMISFOBKRKNNC-UHFFFAOYSA-N 1 2 273.735 3.075 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925928863 638656947 /nfs/dbraw/zinc/65/69/47/638656947.db2.gz FVXHANPERPQTGC-DGCLKSJQSA-N 1 2 280.318 3.492 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(CC)o1)Cc1cccs1 ZINC000929140172 638902262 /nfs/dbraw/zinc/90/22/62/638902262.db2.gz IAGOVHSWZBRYPB-UHFFFAOYSA-N 1 2 262.378 3.487 20 30 CGEDLO C=CC[N@H+](Cc1cnc(CC)o1)Cc1cccs1 ZINC000929140172 638902263 /nfs/dbraw/zinc/90/22/63/638902263.db2.gz IAGOVHSWZBRYPB-UHFFFAOYSA-N 1 2 262.378 3.487 20 30 CGEDLO Cc1nnsc1[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000931333359 639136433 /nfs/dbraw/zinc/13/64/33/639136433.db2.gz TWLHFZKOIZEJJW-GFCCVEGCSA-N 1 2 298.415 3.032 20 30 CGEDLO Cc1nnsc1[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931333359 639136436 /nfs/dbraw/zinc/13/64/36/639136436.db2.gz TWLHFZKOIZEJJW-GFCCVEGCSA-N 1 2 298.415 3.032 20 30 CGEDLO C=CCCC[N@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC000932256909 639302386 /nfs/dbraw/zinc/30/23/86/639302386.db2.gz LLTPBGGQSJICAH-LBPRGKRZSA-N 1 2 296.212 3.342 20 30 CGEDLO C=CCCC[N@@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC000932256909 639302391 /nfs/dbraw/zinc/30/23/91/639302391.db2.gz LLTPBGGQSJICAH-LBPRGKRZSA-N 1 2 296.212 3.342 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934001453 639520364 /nfs/dbraw/zinc/52/03/64/639520364.db2.gz CRIGTSMEPSOSLN-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001453 639520373 /nfs/dbraw/zinc/52/03/73/639520373.db2.gz CRIGTSMEPSOSLN-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000934469845 639614990 /nfs/dbraw/zinc/61/49/90/639614990.db2.gz IGTVOFWAUNSZCR-VXGBXAGGSA-N 1 2 278.783 3.317 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000934469845 639614996 /nfs/dbraw/zinc/61/49/96/639614996.db2.gz IGTVOFWAUNSZCR-VXGBXAGGSA-N 1 2 278.783 3.317 20 30 CGEDLO CSc1ccc(CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000048405626 640051689 /nfs/dbraw/zinc/05/16/89/640051689.db2.gz UKTPZTVKTVTWDH-UHFFFAOYSA-N 1 2 290.363 3.385 20 30 CGEDLO Cc1cc(C)cc(CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000048405630 640051816 /nfs/dbraw/zinc/05/18/16/640051816.db2.gz OUAVOBZACBZPBY-UHFFFAOYSA-N 1 2 272.323 3.280 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/C[C@H]1CCCOC1 ZINC000048627854 640063296 /nfs/dbraw/zinc/06/32/96/640063296.db2.gz OPVMBGFGGCFSNP-VBEHJTROSA-N 1 2 269.344 3.391 20 30 CGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)c1cccc(C#N)c1 ZINC000190090694 640222842 /nfs/dbraw/zinc/22/28/42/640222842.db2.gz FYIUINRJMZAFQH-CYBMUJFWSA-N 1 2 279.343 3.151 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000194571303 640539738 /nfs/dbraw/zinc/53/97/38/640539738.db2.gz DUQIQEAIEGCUAA-UHFFFAOYSA-N 1 2 292.452 3.309 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000194571303 640539745 /nfs/dbraw/zinc/53/97/45/640539745.db2.gz DUQIQEAIEGCUAA-UHFFFAOYSA-N 1 2 292.452 3.309 20 30 CGEDLO CCc1ccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000093686407 640780368 /nfs/dbraw/zinc/78/03/68/640780368.db2.gz SNSVCUPXUSWCKM-UHFFFAOYSA-N 1 2 295.386 3.036 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014751905 640975158 /nfs/dbraw/zinc/97/51/58/640975158.db2.gz JAUYCBFQFGIJFO-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014751905 640975162 /nfs/dbraw/zinc/97/51/62/640975162.db2.gz JAUYCBFQFGIJFO-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=CCCc1ccccc1NC(=O)Cc1[nH]c[nH+]c1C ZINC001155340331 805573911 /nfs/dbraw/zinc/57/39/11/805573911.db2.gz LWCCAALVPGBSGY-UHFFFAOYSA-N 1 2 269.348 3.018 20 30 CGEDLO C=CCN(c1cc(N(CC)CC)[nH+]cn1)C(C)(C)C ZINC001157585615 805840163 /nfs/dbraw/zinc/84/01/63/805840163.db2.gz LOFZMIPLEROCFL-UHFFFAOYSA-N 1 2 262.401 3.114 20 30 CGEDLO C=CCN(c1cc(N(CC)CC)nc[nH+]1)C(C)(C)C ZINC001157585615 805840173 /nfs/dbraw/zinc/84/01/73/805840173.db2.gz LOFZMIPLEROCFL-UHFFFAOYSA-N 1 2 262.401 3.114 20 30 CGEDLO CC1(C)C[C@@H](CNc2[nH+]ccc3ccc(C#N)cc32)O1 ZINC001157663257 805849315 /nfs/dbraw/zinc/84/93/15/805849315.db2.gz SYVOAOOUDSRGNH-ZDUSSCGKSA-N 1 2 267.332 3.086 20 30 CGEDLO CCCCCCCC[C@@H](O)CNc1[nH+]cccc1O ZINC001252122089 806009064 /nfs/dbraw/zinc/00/90/64/806009064.db2.gz QAIONFUSEVLFTR-CYBMUJFWSA-N 1 2 266.385 3.311 20 30 CGEDLO CCCCCCCC[C@@H](O)CNc1[nH+]c[nH]c1C ZINC001252123510 806012178 /nfs/dbraw/zinc/01/21/78/806012178.db2.gz HZPAPIJTQJUQDV-CYBMUJFWSA-N 1 2 253.390 3.242 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3nccc(Cl)n3)c2c1 ZINC001159476772 806110108 /nfs/dbraw/zinc/11/01/08/806110108.db2.gz HRCVPVZHBANGKP-UHFFFAOYSA-N 1 2 295.733 3.162 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1cc([C@H](C)O)cc[nH+]1 ZINC001253233574 806187048 /nfs/dbraw/zinc/18/70/48/806187048.db2.gz IMKUNQDRAAXOFM-GOEBONIOSA-N 1 2 292.423 3.434 20 30 CGEDLO CCCCC[C@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC001253519282 806231044 /nfs/dbraw/zinc/23/10/44/806231044.db2.gz NXFWUINIAWOLHS-KRWDZBQOSA-N 1 2 274.408 3.343 20 30 CGEDLO CCCCC[C@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001253519282 806231049 /nfs/dbraw/zinc/23/10/49/806231049.db2.gz NXFWUINIAWOLHS-KRWDZBQOSA-N 1 2 274.408 3.343 20 30 CGEDLO COc1cc(C)c(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC001160776998 806302067 /nfs/dbraw/zinc/30/20/67/806302067.db2.gz FOWTVGNBFYLPJY-UHFFFAOYSA-N 1 2 281.359 3.385 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ncc2c(c1C#N)CCCC2 ZINC001161569276 806393811 /nfs/dbraw/zinc/39/38/11/806393811.db2.gz FNBAHRHQZGWHPC-UHFFFAOYSA-N 1 2 295.390 3.222 20 30 CGEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCc2ccccc2CC1 ZINC001254454663 806406017 /nfs/dbraw/zinc/40/60/17/806406017.db2.gz FRGPQEYMNLRIEN-KRWDZBQOSA-N 1 2 256.393 3.462 20 30 CGEDLO Cc1ccc(C)c(CCNc2ccc(CC#N)c[nH+]2)c1 ZINC001161828161 806466627 /nfs/dbraw/zinc/46/66/27/806466627.db2.gz FKANIHZZFCIBSA-UHFFFAOYSA-N 1 2 265.360 3.419 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1COc2ccc(Br)cc21 ZINC001255155960 806557283 /nfs/dbraw/zinc/55/72/83/806557283.db2.gz VUXXHNBVLUHDHH-JQWIXIFHSA-N 1 2 295.180 3.164 20 30 CGEDLO CC(=[NH+]OC/C=C/Cl)c1ccc(Cl)c(N)c1 ZINC000378862614 799344016 /nfs/dbraw/zinc/34/40/16/799344016.db2.gz UAESQBZZYCJBQR-MDIBBOIVSA-N 1 2 259.136 3.415 20 30 CGEDLO C=CC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708141019 799983886 /nfs/dbraw/zinc/98/38/86/799983886.db2.gz ZJPKLXJQCLFQRV-UHFFFAOYSA-N 1 2 276.561 3.084 20 30 CGEDLO CCOCC(C)(C)C/[NH+]=C/c1cc(OCC)ccc1O ZINC000809144766 800413158 /nfs/dbraw/zinc/41/31/58/800413158.db2.gz QWULQTOCDLUWAP-LICLKQGHSA-N 1 2 279.380 3.273 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc([C@@H](C)O)s1 ZINC000809539982 800442603 /nfs/dbraw/zinc/44/26/03/800442603.db2.gz GYUPZJKVMVRGPP-LLVKDONJSA-N 1 2 294.445 3.446 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc([C@@H](C)O)s1 ZINC000809539982 800442607 /nfs/dbraw/zinc/44/26/07/800442607.db2.gz GYUPZJKVMVRGPP-LLVKDONJSA-N 1 2 294.445 3.446 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383523 800661987 /nfs/dbraw/zinc/66/19/87/800661987.db2.gz FFUHMOSKXKYQHK-KRWDZBQOSA-N 1 2 281.334 3.333 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001032140395 800920524 /nfs/dbraw/zinc/92/05/24/800920524.db2.gz OMVJPPBNWRPIHI-CTYIDZIISA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033817143 800984459 /nfs/dbraw/zinc/98/44/59/800984459.db2.gz QPGQOQHVLHZDMD-CQSZACIVSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033817143 800984463 /nfs/dbraw/zinc/98/44/63/800984463.db2.gz QPGQOQHVLHZDMD-CQSZACIVSA-N 1 2 298.858 3.098 20 30 CGEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039052481 801141426 /nfs/dbraw/zinc/14/14/26/801141426.db2.gz AXZJKIZMRDHESR-MAUKXSAKSA-N 1 2 298.430 3.028 20 30 CGEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039052481 801141430 /nfs/dbraw/zinc/14/14/30/801141430.db2.gz AXZJKIZMRDHESR-MAUKXSAKSA-N 1 2 298.430 3.028 20 30 CGEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001039048542 801141854 /nfs/dbraw/zinc/14/18/54/801141854.db2.gz KHUQWVXAYGPKRL-CQSZACIVSA-N 1 2 298.386 3.040 20 30 CGEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001039048542 801141857 /nfs/dbraw/zinc/14/18/57/801141857.db2.gz KHUQWVXAYGPKRL-CQSZACIVSA-N 1 2 298.386 3.040 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(CCCC)CC2)C1 ZINC001044268489 801235366 /nfs/dbraw/zinc/23/53/66/801235366.db2.gz XNDULQZCDPZJQJ-UHFFFAOYSA-N 1 2 292.467 3.312 20 30 CGEDLO C[C@]1(CF)CC(F)(F)CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164563637 806957468 /nfs/dbraw/zinc/95/74/68/806957468.db2.gz QLWIEPLOFZEBPK-CYBMUJFWSA-N 1 2 294.280 3.008 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCC)C2 ZINC001109662262 802122758 /nfs/dbraw/zinc/12/27/58/802122758.db2.gz NQHRVPMDWFEZNA-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCC)C2 ZINC001109662262 802122760 /nfs/dbraw/zinc/12/27/60/802122760.db2.gz NQHRVPMDWFEZNA-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CC1)C2 ZINC001109690576 802122956 /nfs/dbraw/zinc/12/29/56/802122956.db2.gz BEQSFJIHHKFPQQ-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CC1)C2 ZINC001109690576 802122958 /nfs/dbraw/zinc/12/29/58/802122958.db2.gz BEQSFJIHHKFPQQ-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO CCC1CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001256871293 806995891 /nfs/dbraw/zinc/99/58/91/806995891.db2.gz MFPYHUWKBDKZNY-UBHUBRDASA-N 1 2 265.422 3.229 20 30 CGEDLO CCC1CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001256871293 806995896 /nfs/dbraw/zinc/99/58/96/806995896.db2.gz MFPYHUWKBDKZNY-UBHUBRDASA-N 1 2 265.422 3.229 20 30 CGEDLO COc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001243728864 802968816 /nfs/dbraw/zinc/96/88/16/802968816.db2.gz KSVWGGFAQNEOBW-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131918785 803357739 /nfs/dbraw/zinc/35/77/39/803357739.db2.gz SPDCELKTZJMHFZ-FLFDDASRSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131918785 803357742 /nfs/dbraw/zinc/35/77/42/803357742.db2.gz SPDCELKTZJMHFZ-FLFDDASRSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132225495 803382203 /nfs/dbraw/zinc/38/22/03/803382203.db2.gz XWPSHKAZZUOIJR-GJZGRUSLSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132225495 803382212 /nfs/dbraw/zinc/38/22/12/803382212.db2.gz XWPSHKAZZUOIJR-GJZGRUSLSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132247933 803387879 /nfs/dbraw/zinc/38/78/79/803387879.db2.gz AFGZJDIJYROUGU-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132247933 803387886 /nfs/dbraw/zinc/38/78/86/803387886.db2.gz AFGZJDIJYROUGU-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CCN(CC=C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001135409130 803594196 /nfs/dbraw/zinc/59/41/96/803594196.db2.gz QMNVKDNAMCRWET-INIZCTEOSA-N 1 2 295.386 3.132 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341260 803719113 /nfs/dbraw/zinc/71/91/13/803719113.db2.gz FOYFWOLTMAHDAK-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341260 803719115 /nfs/dbraw/zinc/71/91/15/803719115.db2.gz FOYFWOLTMAHDAK-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1 ZINC001137703890 803760329 /nfs/dbraw/zinc/76/03/29/803760329.db2.gz YAOLZLYDIJJLLO-CYBMUJFWSA-N 1 2 298.308 3.341 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c1 ZINC001137703890 803760333 /nfs/dbraw/zinc/76/03/33/803760333.db2.gz YAOLZLYDIJJLLO-CYBMUJFWSA-N 1 2 298.308 3.341 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)o1 ZINC001138176048 803870916 /nfs/dbraw/zinc/87/09/16/803870916.db2.gz RNTMLWAXZZJCPP-UHFFFAOYSA-N 1 2 275.396 3.396 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)o1 ZINC001138176048 803870924 /nfs/dbraw/zinc/87/09/24/803870924.db2.gz RNTMLWAXZZJCPP-UHFFFAOYSA-N 1 2 275.396 3.396 20 30 CGEDLO C#Cc1cc(Nc2cc(OC(C)C)ccc2F)cc[nH+]1 ZINC001212308311 815003460 /nfs/dbraw/zinc/00/34/60/815003460.db2.gz SQECJERKPYNEJX-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC001140213045 804401667 /nfs/dbraw/zinc/40/16/67/804401667.db2.gz NVQJYWCVMKLZEH-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC001140213045 804401669 /nfs/dbraw/zinc/40/16/69/804401669.db2.gz NVQJYWCVMKLZEH-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO COC(=O)CC1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001256975346 807022816 /nfs/dbraw/zinc/02/28/16/807022816.db2.gz PZHPEALWJRWXJE-UHFFFAOYSA-N 1 2 292.423 3.314 20 30 CGEDLO CNc1ccc(NC(C)(C)c2ccc(C#N)cc2)c[nH+]1 ZINC001165752847 807017595 /nfs/dbraw/zinc/01/75/95/807017595.db2.gz LASNDPZXSRZKEU-UHFFFAOYSA-N 1 2 266.348 3.342 20 30 CGEDLO C=CC[NH+](CC=C)Cc1sc(N)c(C#N)c1Cl ZINC001141114084 804592511 /nfs/dbraw/zinc/59/25/11/804592511.db2.gz DNKHCEHNJZQSRP-UHFFFAOYSA-N 1 2 267.785 3.029 20 30 CGEDLO CCc1ccccc1C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001141229992 804616037 /nfs/dbraw/zinc/61/60/37/804616037.db2.gz SXCLQZJMHDUHJX-UHFFFAOYSA-N 1 2 292.382 3.384 20 30 CGEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001141287977 804628500 /nfs/dbraw/zinc/62/85/00/804628500.db2.gz XYYIGPOALDLHBW-UHFFFAOYSA-N 1 2 294.354 3.183 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)ccnc1OC ZINC001248795262 804994011 /nfs/dbraw/zinc/99/40/11/804994011.db2.gz XALLYRCYJXUDQB-UHFFFAOYSA-N 1 2 254.761 3.142 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)ccnc1OC ZINC001248795262 804994013 /nfs/dbraw/zinc/99/40/13/804994013.db2.gz XALLYRCYJXUDQB-UHFFFAOYSA-N 1 2 254.761 3.142 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(OCc3ccccc3)cn2)C1 ZINC001248860498 805022582 /nfs/dbraw/zinc/02/25/82/805022582.db2.gz DDGJLDZXVPYAFL-UHFFFAOYSA-N 1 2 293.370 3.006 20 30 CGEDLO CCCCCCCNC(=S)NCc1c[nH+]cn1C(C)C ZINC001249648444 805202466 /nfs/dbraw/zinc/20/24/66/805202466.db2.gz FBKLQPMQBPMCQK-UHFFFAOYSA-N 1 2 296.484 3.399 20 30 CGEDLO Cc1cn2cccc(Nc3ccccc3OCC#N)c2[nH+]1 ZINC001212597195 815082244 /nfs/dbraw/zinc/08/22/44/815082244.db2.gz HWWJDMPVAYFJNU-UHFFFAOYSA-N 1 2 278.315 3.289 20 30 CGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001256868668 806994861 /nfs/dbraw/zinc/99/48/61/806994861.db2.gz YMKMJIGJJIDAIG-NQKKVCCDSA-N 1 2 265.397 3.053 20 30 CGEDLO CCCCCC1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001257370352 807127578 /nfs/dbraw/zinc/12/75/78/807127578.db2.gz KCMAOWQIAGBMRW-RUXDESIVSA-N 1 2 287.469 3.187 20 30 CGEDLO Cc1cc(NCc2ccccc2C#N)[nH+]c2cc[nH]c21 ZINC001167637324 807222376 /nfs/dbraw/zinc/22/23/76/807222376.db2.gz SJQJGYPQFKHCHF-UHFFFAOYSA-N 1 2 262.316 3.355 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCc3ccc4c(c3)CCO4)c2)CC1 ZINC001167781242 807249309 /nfs/dbraw/zinc/24/93/09/807249309.db2.gz GZDRQLALJRSTSK-UHFFFAOYSA-N 1 2 291.354 3.184 20 30 CGEDLO CC[C@@H](C)Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167999894 807296690 /nfs/dbraw/zinc/29/66/90/807296690.db2.gz OBRAMBPNYUEJCC-LGIDSNFJSA-N 1 2 295.452 3.482 20 30 CGEDLO COC(=O)C1(C)CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001168770233 807508523 /nfs/dbraw/zinc/50/85/23/807508523.db2.gz CEMRXTXYCJKRNC-BCLQGDPASA-N 1 2 280.412 3.026 20 30 CGEDLO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258846332 807656229 /nfs/dbraw/zinc/65/62/29/807656229.db2.gz OZVSGIVECMMDIB-HZPDHXFCSA-N 1 2 287.428 3.282 20 30 CGEDLO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258846332 807656235 /nfs/dbraw/zinc/65/62/35/807656235.db2.gz OZVSGIVECMMDIB-HZPDHXFCSA-N 1 2 287.428 3.282 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)cccc1OCC ZINC001169843308 807714618 /nfs/dbraw/zinc/71/46/18/807714618.db2.gz BZWQPSKIJAGRLF-LLVKDONJSA-N 1 2 251.757 3.192 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1OCC ZINC001169843308 807714614 /nfs/dbraw/zinc/71/46/14/807714614.db2.gz BZWQPSKIJAGRLF-LLVKDONJSA-N 1 2 251.757 3.192 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCCC(C)C)C(=O)OCC ZINC001170064544 807745999 /nfs/dbraw/zinc/74/59/99/807745999.db2.gz QHZMIKQXAPJBAB-SQWLQELKSA-N 1 2 267.413 3.299 20 30 CGEDLO Cc1cc(NCC(C)(C)S)cc(OC(F)F)[nH+]1 ZINC001170309340 807825246 /nfs/dbraw/zinc/82/52/46/807825246.db2.gz QPJVYVWMZSZQQG-UHFFFAOYSA-N 1 2 262.325 3.112 20 30 CGEDLO CC[C@H](C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170371948 807830499 /nfs/dbraw/zinc/83/04/99/807830499.db2.gz PSBYFXGCUGKYSB-KLAILNCOSA-N 1 2 267.376 3.282 20 30 CGEDLO CCCCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001170582898 807858525 /nfs/dbraw/zinc/85/85/25/807858525.db2.gz YJGMMGRRZNORHG-STQMWFEESA-N 1 2 275.458 3.187 20 30 CGEDLO Cn1c2ccccc2[nH+]c1NC1=CC[C@@H](C#N)CC1 ZINC001212855062 815159297 /nfs/dbraw/zinc/15/92/97/815159297.db2.gz RDMCBEAHXMEBOU-LLVKDONJSA-N 1 2 252.321 3.193 20 30 CGEDLO C=C(CC)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001263711568 807995266 /nfs/dbraw/zinc/99/52/66/807995266.db2.gz FQDODNAHCDREDI-UHFFFAOYSA-N 1 2 279.409 3.034 20 30 CGEDLO C#Cc1cc(Nc2ccc(Br)cc2F)cc[nH+]1 ZINC001212868000 815166465 /nfs/dbraw/zinc/16/64/65/815166465.db2.gz GYFGFUKWPDLZEB-UHFFFAOYSA-N 1 2 291.123 3.130 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001266461347 808269275 /nfs/dbraw/zinc/26/92/75/808269275.db2.gz NUFRMNAOFXCDJT-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001266461347 808269282 /nfs/dbraw/zinc/26/92/82/808269282.db2.gz NUFRMNAOFXCDJT-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172404128 808292309 /nfs/dbraw/zinc/29/23/09/808292309.db2.gz YXBRCFVTDPGAHS-OLZOCXBDSA-N 1 2 253.411 3.085 20 30 CGEDLO CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172404128 808292315 /nfs/dbraw/zinc/29/23/15/808292315.db2.gz YXBRCFVTDPGAHS-OLZOCXBDSA-N 1 2 253.411 3.085 20 30 CGEDLO CCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001172508742 808364586 /nfs/dbraw/zinc/36/45/86/808364586.db2.gz NLMVAUVSBNKLAT-HZPDHXFCSA-N 1 2 265.445 3.313 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H](C#N)C1 ZINC001172868073 808469645 /nfs/dbraw/zinc/46/96/45/808469645.db2.gz DHPURSMCWNQSRY-GHMZBOCLSA-N 1 2 266.747 3.256 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H](C#N)C1 ZINC001172868073 808469647 /nfs/dbraw/zinc/46/96/47/808469647.db2.gz DHPURSMCWNQSRY-GHMZBOCLSA-N 1 2 266.747 3.256 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CCCC)C1 ZINC001267761991 808486973 /nfs/dbraw/zinc/48/69/73/808486973.db2.gz MQUQPNUDQRAATF-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CCCC)C1 ZINC001267761991 808486976 /nfs/dbraw/zinc/48/69/76/808486976.db2.gz MQUQPNUDQRAATF-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO CC[C@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173041166 808498531 /nfs/dbraw/zinc/49/85/31/808498531.db2.gz BXCMWZOETJFWJF-CQSZACIVSA-N 1 2 250.386 3.008 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001269073151 808645505 /nfs/dbraw/zinc/64/55/05/808645505.db2.gz KVRVBORKVZGFHN-ZFWWWQNUSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001269073151 808645509 /nfs/dbraw/zinc/64/55/09/808645509.db2.gz KVRVBORKVZGFHN-ZFWWWQNUSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001269073150 808645709 /nfs/dbraw/zinc/64/57/09/808645709.db2.gz KVRVBORKVZGFHN-DZGCQCFKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001269073150 808645713 /nfs/dbraw/zinc/64/57/13/808645713.db2.gz KVRVBORKVZGFHN-DZGCQCFKSA-N 1 2 286.847 3.146 20 30 CGEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@](C)(C#N)CC(C)C)C1 ZINC001173634997 808656539 /nfs/dbraw/zinc/65/65/39/808656539.db2.gz XQTSDFLOLRNTEO-FMKPAKJESA-N 1 2 280.412 3.026 20 30 CGEDLO N#Cc1cccc(O)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090825 815230886 /nfs/dbraw/zinc/23/08/86/815230886.db2.gz ICHYOHGLFLGPJE-UHFFFAOYSA-N 1 2 276.299 3.398 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C[C@H](C)CCC)cc2C1 ZINC001281293741 809208274 /nfs/dbraw/zinc/20/82/74/809208274.db2.gz VOFKBDKKICXWKA-OAHLLOKOSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C[C@H](C)CCC)cc2C1 ZINC001281293741 809208276 /nfs/dbraw/zinc/20/82/76/809208276.db2.gz VOFKBDKKICXWKA-OAHLLOKOSA-N 1 2 298.430 3.078 20 30 CGEDLO CN(C)c1ccc(Nc2cccc(C#CC(C)(C)O)c2)c[nH+]1 ZINC001175345471 809369652 /nfs/dbraw/zinc/36/96/52/809369652.db2.gz CQEKGISWZVRRTI-UHFFFAOYSA-N 1 2 295.386 3.014 20 30 CGEDLO N#Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175349657 809372599 /nfs/dbraw/zinc/37/25/99/809372599.db2.gz BSJAWAZGODBSHO-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO COc1ccc(Nc2c[nH+]c(C)cc2C)cc1C#N ZINC001213515806 815294838 /nfs/dbraw/zinc/29/48/38/815294838.db2.gz MHNDPRVCPLLHDX-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1F ZINC001175712682 809517890 /nfs/dbraw/zinc/51/78/90/809517890.db2.gz GQOPEMBMHIYFEV-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO COc1cc(C#N)ccc1Nc1c[nH+]cc(C)c1C ZINC001213530984 815300289 /nfs/dbraw/zinc/30/02/89/815300289.db2.gz RFPIFCNDBZXENL-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C=C[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC001299356812 809548202 /nfs/dbraw/zinc/54/82/02/809548202.db2.gz XJFZQRDDYQHRHT-KRWDZBQOSA-N 1 2 280.371 3.284 20 30 CGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1F ZINC001176613777 809730541 /nfs/dbraw/zinc/73/05/41/809730541.db2.gz IMFZCRZGSOURNN-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO CNc1ccc(Nc2nc(C(F)(F)F)ccc2C#N)c[nH+]1 ZINC001185819688 810294722 /nfs/dbraw/zinc/29/47/22/810294722.db2.gz OJUYUNLNHGESEE-UHFFFAOYSA-N 1 2 293.252 3.152 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C#N)cc1F ZINC001201560439 811903355 /nfs/dbraw/zinc/90/33/55/811903355.db2.gz ILAQGLDJXAQMMY-UHFFFAOYSA-N 1 2 257.268 3.235 20 30 CGEDLO COc1ccc(C#N)cc1Nc1[nH+]cc(C)cc1C ZINC001201581013 811911814 /nfs/dbraw/zinc/91/18/14/811911814.db2.gz YXLQALGXCYEJSR-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(F)c(C#N)c2F)c[nH+]1 ZINC001203462312 812369041 /nfs/dbraw/zinc/36/90/41/812369041.db2.gz PUXDHDAOWVOYOG-UHFFFAOYSA-N 1 2 278.237 3.156 20 30 CGEDLO CSc1ccc(C[NH2+]Cc2cscn2)cc1C#N ZINC001203672129 812425524 /nfs/dbraw/zinc/42/55/24/812425524.db2.gz AGFBVPLLUREZII-UHFFFAOYSA-N 1 2 275.402 3.026 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC001203764588 812457822 /nfs/dbraw/zinc/45/78/22/812457822.db2.gz VBKBQZZCIJSOEE-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203764588 812457824 /nfs/dbraw/zinc/45/78/24/812457824.db2.gz VBKBQZZCIJSOEE-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC001204228800 812578047 /nfs/dbraw/zinc/57/80/47/812578047.db2.gz XOLXCFNCJITAMX-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC001204228800 812578052 /nfs/dbraw/zinc/57/80/52/812578052.db2.gz XOLXCFNCJITAMX-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001204548642 812675673 /nfs/dbraw/zinc/67/56/73/812675673.db2.gz WYFNGCUDSFAJOX-CQSZACIVSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001204548642 812675677 /nfs/dbraw/zinc/67/56/77/812675677.db2.gz WYFNGCUDSFAJOX-CQSZACIVSA-N 1 2 299.399 3.058 20 30 CGEDLO Cc1cc(C#N)c(Nc2ccn3cc[nH+]c3c2)cc1F ZINC001205006179 812821668 /nfs/dbraw/zinc/82/16/68/812821668.db2.gz USMKCIHVRVVPPA-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO N#Cc1cc2cccnc2nc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209842127 814159803 /nfs/dbraw/zinc/15/98/03/814159803.db2.gz DFGMLVSZVCSGAF-UHFFFAOYSA-N 1 2 286.298 3.121 20 30 CGEDLO Cc1ccc(C2=CC(=O)C[C@@H](C)C2)c(C[NH+]2CCOCC2)c1 ZINC001242742334 823118677 /nfs/dbraw/zinc/11/86/77/823118677.db2.gz OBIAAMMJLKRJEJ-HNNXBMFYSA-N 1 2 299.414 3.210 20 30 CGEDLO C#Cc1cc(Nc2ccc(O)c(C(C)C)c2)cc[nH+]1 ZINC001215845743 815613363 /nfs/dbraw/zinc/61/33/63/815613363.db2.gz AFZZHNDSJJXTFA-UHFFFAOYSA-N 1 2 252.317 3.057 20 30 CGEDLO Cn1c2ccccc2[nH+]c1Nc1ccc(F)cc1C#N ZINC001210552733 814522751 /nfs/dbraw/zinc/52/27/51/814522751.db2.gz RMXNJOFUWDRGMD-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO N#Cc1ccccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001210739858 814604202 /nfs/dbraw/zinc/60/42/02/814604202.db2.gz NAGYPXQTDNSRGE-UHFFFAOYSA-N 1 2 260.300 3.488 20 30 CGEDLO COc1cc(Nc2cccc(C#CC(C)(C)O)c2)cc(C)[nH+]1 ZINC001210780435 814625240 /nfs/dbraw/zinc/62/52/40/814625240.db2.gz KBRLPFRYHPFWGP-UHFFFAOYSA-N 1 2 296.370 3.265 20 30 CGEDLO COc1ccc(C#N)c(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001210781248 814627595 /nfs/dbraw/zinc/62/75/95/814627595.db2.gz PQIUMCGREMZWEA-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO Cc1ccc(Nc2[nH+]cccc2N(C)C)cc1C#N ZINC001216074715 815681324 /nfs/dbraw/zinc/68/13/24/815681324.db2.gz RCXRGSMEXJDXFD-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO C=C(C)c1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218274240 816148497 /nfs/dbraw/zinc/14/84/97/816148497.db2.gz DXPTVSPQSPZLBN-ZDUSSCGKSA-N 1 2 253.292 3.096 20 30 CGEDLO CCC[C@@H](C#Cc1ccccc1)Oc1ccc[nH+]c1N ZINC001218438129 816212912 /nfs/dbraw/zinc/21/29/12/816212912.db2.gz FYSRARMBEJTZGO-HNNXBMFYSA-N 1 2 266.344 3.263 20 30 CGEDLO N#CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001224379869 816789742 /nfs/dbraw/zinc/78/97/42/816789742.db2.gz BQDIFNDNZVALJG-NSHDSACASA-N 1 2 285.174 3.108 20 30 CGEDLO N#CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001224379869 816789745 /nfs/dbraw/zinc/78/97/45/816789745.db2.gz BQDIFNDNZVALJG-NSHDSACASA-N 1 2 285.174 3.108 20 30 CGEDLO COCc1ccc(C[N@H+](CCC#N)C2CCCC2)o1 ZINC001231690747 818158548 /nfs/dbraw/zinc/15/85/48/818158548.db2.gz HFCTYAOXXFHUIY-UHFFFAOYSA-N 1 2 262.353 3.084 20 30 CGEDLO COCc1ccc(C[N@@H+](CCC#N)C2CCCC2)o1 ZINC001231690747 818158553 /nfs/dbraw/zinc/15/85/53/818158553.db2.gz HFCTYAOXXFHUIY-UHFFFAOYSA-N 1 2 262.353 3.084 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)n1 ZINC001232071020 818244740 /nfs/dbraw/zinc/24/47/40/818244740.db2.gz DERDDFJAVLRHST-UOJUARBOSA-N 1 2 295.308 3.367 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(F)(F)F)n1 ZINC001232071020 818244747 /nfs/dbraw/zinc/24/47/47/818244747.db2.gz DERDDFJAVLRHST-UOJUARBOSA-N 1 2 295.308 3.367 20 30 CGEDLO COc1cc(C[NH+]2CCC(C#N)CC2)c(OC)cc1Cl ZINC001232370278 818329542 /nfs/dbraw/zinc/32/95/42/818329542.db2.gz MKMPBYWIIIPHFS-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO CC[N@H+](Cc1cccs1)Cc1cc(C#N)ccc1O ZINC001232677493 818418029 /nfs/dbraw/zinc/41/80/29/818418029.db2.gz DQSJGRPCDODVAQ-UHFFFAOYSA-N 1 2 272.373 3.347 20 30 CGEDLO CC[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1O ZINC001232677493 818418031 /nfs/dbraw/zinc/41/80/31/818418031.db2.gz DQSJGRPCDODVAQ-UHFFFAOYSA-N 1 2 272.373 3.347 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233045311 818506799 /nfs/dbraw/zinc/50/67/99/818506799.db2.gz SIDYUPMOFZWNBT-KRWDZBQOSA-N 1 2 281.359 3.232 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233045311 818506803 /nfs/dbraw/zinc/50/68/03/818506803.db2.gz SIDYUPMOFZWNBT-KRWDZBQOSA-N 1 2 281.359 3.232 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(O)c1F ZINC001233054781 818513613 /nfs/dbraw/zinc/51/36/13/818513613.db2.gz YPHQBYOPZBWPHG-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(O)c1F ZINC001233054781 818513619 /nfs/dbraw/zinc/51/36/19/818513619.db2.gz YPHQBYOPZBWPHG-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2nc(Cl)ccc2C1 ZINC001233083140 818521169 /nfs/dbraw/zinc/52/11/69/818521169.db2.gz XMQQMYJDENEGKO-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001233083140 818521175 /nfs/dbraw/zinc/52/11/75/818521175.db2.gz XMQQMYJDENEGKO-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1c(Br)cccc1C[NH+]1CC(CC#N)C1 ZINC001236609563 819551906 /nfs/dbraw/zinc/55/19/06/819551906.db2.gz JVPOLJVCCLSBOE-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236795548 819597412 /nfs/dbraw/zinc/59/74/12/819597412.db2.gz GKLDTZWTXDZXIK-UHFFFAOYSA-N 1 2 273.163 3.435 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)c(Cl)cc1O ZINC001236795548 819597415 /nfs/dbraw/zinc/59/74/15/819597415.db2.gz GKLDTZWTXDZXIK-UHFFFAOYSA-N 1 2 273.163 3.435 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237747683 819834702 /nfs/dbraw/zinc/83/47/02/819834702.db2.gz ZVXAAQHUJAOTSA-HZMBPMFUSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237747683 819834709 /nfs/dbraw/zinc/83/47/09/819834709.db2.gz ZVXAAQHUJAOTSA-HZMBPMFUSA-N 1 2 266.747 3.392 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(F)cc(Cl)c1O ZINC001237798526 819845123 /nfs/dbraw/zinc/84/51/23/819845123.db2.gz HVXNNEKEDVQCNT-UHFFFAOYSA-N 1 2 255.720 3.359 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2OC)C1 ZINC001238342085 819977644 /nfs/dbraw/zinc/97/76/44/819977644.db2.gz NSIVFCURTYYYKB-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2OC)C1 ZINC001238342085 819977651 /nfs/dbraw/zinc/97/76/51/819977651.db2.gz NSIVFCURTYYYKB-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cnc(-c2ccccc2)c(C)c1 ZINC001238618063 820064117 /nfs/dbraw/zinc/06/41/17/820064117.db2.gz MFZPLZQDRLBVAJ-UHFFFAOYSA-N 1 2 274.367 3.125 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(C)c(C)cc1OC ZINC001238763183 820111482 /nfs/dbraw/zinc/11/14/82/820111482.db2.gz JSZBHHWPQNFORJ-UHFFFAOYSA-N 1 2 260.381 3.438 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(C)c(C)cc1OC ZINC001238763183 820111488 /nfs/dbraw/zinc/11/14/88/820111488.db2.gz JSZBHHWPQNFORJ-UHFFFAOYSA-N 1 2 260.381 3.438 20 30 CGEDLO COc1cc2[nH+]ccn2cc1/C=C/c1ccc(C#N)cc1 ZINC001239302919 820257513 /nfs/dbraw/zinc/25/75/13/820257513.db2.gz HZWUVCPVRFHYSV-VOTSOKGWSA-N 1 2 275.311 3.385 20 30 CGEDLO CN(C)C=[NH+]c1ccc(-c2ccnc3[nH]ccc32)cc1C#N ZINC001240414589 821035104 /nfs/dbraw/zinc/03/51/04/821035104.db2.gz XWAYNNUPCMYLOU-SRZZPIQSSA-N 1 2 289.342 3.323 20 30 CGEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)c2cc[nH]c21 ZINC001240512552 821108357 /nfs/dbraw/zinc/10/83/57/821108357.db2.gz VOVFWNZIFFWEAL-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO CO/N=C/c1cc(-c2ccn3cc[nH+]c3c2)cc(F)c1F ZINC001240518332 821114691 /nfs/dbraw/zinc/11/46/91/821114691.db2.gz NTGYNMXMTMEZCQ-DJKKODMXSA-N 1 2 287.269 3.260 20 30 CGEDLO N#CCc1cc(F)cc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240518400 821116856 /nfs/dbraw/zinc/11/68/56/821116856.db2.gz PEMSCOIUEZLTKQ-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO COc1cc(C#N)ccc1-c1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001241393029 821790738 /nfs/dbraw/zinc/79/07/38/821790738.db2.gz CCKBWXCJXPIHOS-UHFFFAOYSA-N 1 2 293.248 3.230 20 30 CGEDLO COc1cc(C#N)ccc1-c1c[nH+]c(N(C)C)cc1C ZINC001241401984 821799288 /nfs/dbraw/zinc/79/92/88/821799288.db2.gz DPHJUDYJQYFMHT-UHFFFAOYSA-N 1 2 267.332 3.003 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2cncc(C#N)c2)c1 ZINC001242274827 822933622 /nfs/dbraw/zinc/93/36/22/822933622.db2.gz BFLOMBQQTQDEIL-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@](C)(CC)C2)c1=S ZINC001339606636 936379720 /nfs/dbraw/zinc/37/97/20/936379720.db2.gz YNRLYJBCEAVKOX-AWEZNQCLSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@](C)(CC)C2)c1=S ZINC001339606636 936379723 /nfs/dbraw/zinc/37/97/23/936379723.db2.gz YNRLYJBCEAVKOX-AWEZNQCLSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCC(CC=C)C(=O)OCCc1cn2c([nH+]1)CCCC2 ZINC001344994477 936796416 /nfs/dbraw/zinc/79/64/16/936796416.db2.gz MKURNXVBYZQLHM-UHFFFAOYSA-N 1 2 288.391 3.074 20 30 CGEDLO N#Cc1ccc(CCNc2ccc(-n3cccc3)c[nH+]2)cc1 ZINC001167678644 926827932 /nfs/dbraw/zinc/82/79/32/926827932.db2.gz SHGTULFFWJXFTN-UHFFFAOYSA-N 1 2 288.354 3.399 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001481685471 927055668 /nfs/dbraw/zinc/05/56/68/927055668.db2.gz YWBFMXCIEMDJQY-KBPBESRZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001481685471 927055688 /nfs/dbraw/zinc/05/56/88/927055688.db2.gz YWBFMXCIEMDJQY-KBPBESRZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1CCCCCC1 ZINC001483320857 927480889 /nfs/dbraw/zinc/48/08/89/927480889.db2.gz RJULZXBKRFRJJE-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1CCCCCC1 ZINC001483320857 927480894 /nfs/dbraw/zinc/48/08/94/927480894.db2.gz RJULZXBKRFRJJE-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO Cc1cn2cc(-c3cc(F)cc(C#N)c3)ccc2[nH+]1 ZINC001241658329 928091667 /nfs/dbraw/zinc/09/16/67/928091667.db2.gz KMQWOUQVAIJFLX-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001494910861 928277189 /nfs/dbraw/zinc/27/71/89/928277189.db2.gz QIFHTDAJQKOTOH-LSDHHAIUSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494910861 928277201 /nfs/dbraw/zinc/27/72/01/928277201.db2.gz QIFHTDAJQKOTOH-LSDHHAIUSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490430726 928364784 /nfs/dbraw/zinc/36/47/84/928364784.db2.gz KFJWOXHTYVTRDB-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490430726 928364796 /nfs/dbraw/zinc/36/47/96/928364796.db2.gz KFJWOXHTYVTRDB-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(CC)C[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC001459451156 937488584 /nfs/dbraw/zinc/48/85/84/937488584.db2.gz DMRPXKYRQWIGFV-UHFFFAOYSA-N 1 2 275.392 3.060 20 30 CGEDLO C=C(CC)C[N@H+](CCc1ccccc1)CC(=O)OCC ZINC001459451156 937488586 /nfs/dbraw/zinc/48/85/86/937488586.db2.gz DMRPXKYRQWIGFV-UHFFFAOYSA-N 1 2 275.392 3.060 20 30 CGEDLO N#CCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC001461809730 937598399 /nfs/dbraw/zinc/59/83/99/937598399.db2.gz BLSPZTHOLCRYCI-UHFFFAOYSA-N 1 2 279.315 3.092 20 30 CGEDLO C=CCC[C@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921734 932643110 /nfs/dbraw/zinc/64/31/10/932643110.db2.gz QURUWJKUBOENLV-AWEZNQCLSA-N 1 2 259.349 3.491 20 30 CGEDLO C#C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccncc1 ZINC001231084001 932676264 /nfs/dbraw/zinc/67/62/64/932676264.db2.gz SEICUMYKDPPGIS-GOSISDBHSA-N 1 2 289.338 3.235 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(Cl)c1 ZINC001238086952 932693697 /nfs/dbraw/zinc/69/36/97/932693697.db2.gz QWVLPPKHVFNDBR-GFCCVEGCSA-N 1 2 296.798 3.241 20 30 CGEDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001238086972 932693969 /nfs/dbraw/zinc/69/39/69/932693969.db2.gz RYLJDHYKFXSVEL-HNNXBMFYSA-N 1 2 278.783 3.068 20 30 CGEDLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001238086972 932693976 /nfs/dbraw/zinc/69/39/76/932693976.db2.gz RYLJDHYKFXSVEL-HNNXBMFYSA-N 1 2 278.783 3.068 20 30 CGEDLO N#Cc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001249707273 932716469 /nfs/dbraw/zinc/71/64/69/932716469.db2.gz YNDHWFJLVYISKP-UHFFFAOYSA-N 1 2 260.300 3.488 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)C(=O)OC ZINC001462507060 937646161 /nfs/dbraw/zinc/64/61/61/937646161.db2.gz SBPFIMWYOVMJCX-SWLSCSKDSA-N 1 2 295.810 3.368 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001316991050 933508470 /nfs/dbraw/zinc/50/84/70/933508470.db2.gz UUNYTTMNDPOSIV-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001316991050 933508483 /nfs/dbraw/zinc/50/84/83/933508483.db2.gz UUNYTTMNDPOSIV-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC001320967591 934128281 /nfs/dbraw/zinc/12/82/81/934128281.db2.gz KDTIZRBZVRBKNV-CYBMUJFWSA-N 1 2 266.410 3.043 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC001320967591 934128283 /nfs/dbraw/zinc/12/82/83/934128283.db2.gz KDTIZRBZVRBKNV-CYBMUJFWSA-N 1 2 266.410 3.043 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(=O)OCC ZINC001321150507 934155891 /nfs/dbraw/zinc/15/58/91/934155891.db2.gz VBKKCGFPWIEFRB-BBWFWOEESA-N 1 2 287.403 3.420 20 30 CGEDLO N#Cc1ccc(F)cc1NCCCNc1cccc[nH+]1 ZINC001472661017 937779564 /nfs/dbraw/zinc/77/95/64/937779564.db2.gz FHAOFFBUVRNHOL-UHFFFAOYSA-N 1 2 270.311 3.006 20 30 CGEDLO CCCCCCC[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC001473392802 937804642 /nfs/dbraw/zinc/80/46/42/937804642.db2.gz LMVQZKWEKNAKED-WMLDXEAASA-N 1 2 299.455 3.293 20 30 CGEDLO C=CC[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)C(=O)OCC ZINC001325502253 934915386 /nfs/dbraw/zinc/91/53/86/934915386.db2.gz OXIMWFMNMXGXRJ-PQUAAJSLSA-N 1 2 287.403 3.204 20 30 CGEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001331330349 935370730 /nfs/dbraw/zinc/37/07/30/935370730.db2.gz QIBUQJCASONOKX-AWEZNQCLSA-N 1 2 295.386 3.067 20 30 CGEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001331330349 935370736 /nfs/dbraw/zinc/37/07/36/935370736.db2.gz QIBUQJCASONOKX-AWEZNQCLSA-N 1 2 295.386 3.067 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2nc(Cl)ccc2C1=O ZINC001331945808 935425440 /nfs/dbraw/zinc/42/54/40/935425440.db2.gz DABXAOAEERQBQJ-BJMVGYQFSA-N 1 2 287.750 3.335 20 30 CGEDLO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC001473879531 937826569 /nfs/dbraw/zinc/82/65/69/937826569.db2.gz JTOPCCAMOYDWFB-LBPRGKRZSA-N 1 2 269.323 3.252 20 30 CGEDLO C[C@H]1CCC(F)(F)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC001473879107 937826796 /nfs/dbraw/zinc/82/67/96/937826796.db2.gz DQLQXVCXIIPLHJ-ZDUSSCGKSA-N 1 2 286.366 3.207 20 30 CGEDLO C[C@H]1CCC(F)(F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC001473879107 937826797 /nfs/dbraw/zinc/82/67/97/937826797.db2.gz DQLQXVCXIIPLHJ-ZDUSSCGKSA-N 1 2 286.366 3.207 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cn(CC)nc1-c1ccccc1 ZINC001474370366 937855274 /nfs/dbraw/zinc/85/52/74/937855274.db2.gz YQXWDINKKUMGJT-UHFFFAOYSA-N 1 2 291.398 3.029 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cn(CC)nc1-c1ccccc1 ZINC001474370366 937855275 /nfs/dbraw/zinc/85/52/75/937855275.db2.gz YQXWDINKKUMGJT-UHFFFAOYSA-N 1 2 291.398 3.029 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001493109993 937947511 /nfs/dbraw/zinc/94/75/11/937947511.db2.gz FQNIXBVDRIAWCU-STQMWFEESA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001493109993 937947512 /nfs/dbraw/zinc/94/75/12/937947512.db2.gz FQNIXBVDRIAWCU-STQMWFEESA-N 1 2 286.847 3.002 20 30 CGEDLO C=CC[C@@H](C(=O)N(C)C1C[NH+](CC(=C)C)C1)c1ccccc1 ZINC001499790727 937974716 /nfs/dbraw/zinc/97/47/16/937974716.db2.gz VGTLMOMWTZAPIK-GOSISDBHSA-N 1 2 298.430 3.065 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)=C2CCCC2)C1 ZINC001506617455 937991248 /nfs/dbraw/zinc/99/12/48/937991248.db2.gz ZFRFVODHTBHPSX-CYBMUJFWSA-N 1 2 296.842 3.066 20 30 CGEDLO C=CCCCCCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001520962654 938028883 /nfs/dbraw/zinc/02/88/83/938028883.db2.gz QCPINULBNOHSKQ-UHFFFAOYSA-N 1 2 290.411 3.059 20 30 CGEDLO C=C[C@@H](CC)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001545562936 938149934 /nfs/dbraw/zinc/14/99/34/938149934.db2.gz DSJAVBKIOMFRPQ-NSHDSACASA-N 1 2 257.337 3.412 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@]12CCOC2 ZINC001560232882 938248022 /nfs/dbraw/zinc/24/80/22/938248022.db2.gz KPJKPHAAYYXPON-MRXNPFEDSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@]12CCOC2 ZINC001560232882 938248023 /nfs/dbraw/zinc/24/80/23/938248023.db2.gz KPJKPHAAYYXPON-MRXNPFEDSA-N 1 2 290.794 3.357 20 30 CGEDLO FC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001560975730 938287287 /nfs/dbraw/zinc/28/72/87/938287287.db2.gz AHHLREZMZADACU-QGZVFWFLSA-N 1 2 271.310 3.478 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(C)CCCCC1 ZINC001480998213 957699888 /nfs/dbraw/zinc/69/98/88/957699888.db2.gz SVRHJBWSTYDQTE-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(C)CCCCC1 ZINC001480998213 957699892 /nfs/dbraw/zinc/69/98/92/957699892.db2.gz SVRHJBWSTYDQTE-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO Cc1cc(N2CCc3cc(C#N)ccc3C2)nc(C2CC2)[nH+]1 ZINC001164484950 958843527 /nfs/dbraw/zinc/84/35/27/958843527.db2.gz RNUMHOCQLSALEU-UHFFFAOYSA-N 1 2 290.370 3.097 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001571523073 960466722 /nfs/dbraw/zinc/46/67/22/960466722.db2.gz NLPFLNQBBAAOQK-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001571523073 960466734 /nfs/dbraw/zinc/46/67/34/960466734.db2.gz NLPFLNQBBAAOQK-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001566915793 961045875 /nfs/dbraw/zinc/04/58/75/961045875.db2.gz VCWCKFSQVYZWIO-GMMCIKNFSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001566915793 961045893 /nfs/dbraw/zinc/04/58/93/961045893.db2.gz VCWCKFSQVYZWIO-GMMCIKNFSA-N 1 2 284.831 3.066 20 30 CGEDLO Cn1c2ccc(NC(=O)CC3(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000590318486 346842319 /nfs/dbraw/zinc/84/23/19/346842319.db2.gz JCTOZYVWFUVTFO-UHFFFAOYSA-N 1 2 294.358 3.083 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)C(=O)OCC ZINC000590661539 346861004 /nfs/dbraw/zinc/86/10/04/346861004.db2.gz ORWISGANPQIWAP-MRXNPFEDSA-N 1 2 286.375 3.155 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000590759883 346872593 /nfs/dbraw/zinc/87/25/93/346872593.db2.gz CQADGGNUQNLWNT-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000590759883 346872596 /nfs/dbraw/zinc/87/25/96/346872596.db2.gz CQADGGNUQNLWNT-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623287235 349776168 /nfs/dbraw/zinc/77/61/68/349776168.db2.gz VFSNKSHHKRHIRE-NSHDSACASA-N 1 2 293.208 3.004 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287235 349776171 /nfs/dbraw/zinc/77/61/71/349776171.db2.gz VFSNKSHHKRHIRE-NSHDSACASA-N 1 2 293.208 3.004 20 30 CGEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1nc(C)cs1 ZINC000352835291 529637050 /nfs/dbraw/zinc/63/70/50/529637050.db2.gz OOFZFUNEWWBGPL-JTQLQIEISA-N 1 2 278.406 3.021 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1F ZINC000591504269 346926908 /nfs/dbraw/zinc/92/69/08/346926908.db2.gz JJBBTZSSMKAYTR-UHFFFAOYSA-N 1 2 272.245 3.082 20 30 CGEDLO N#CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000591758907 346934547 /nfs/dbraw/zinc/93/45/47/346934547.db2.gz SBTRCVKZVFPXFQ-GFCCVEGCSA-N 1 2 250.729 3.057 20 30 CGEDLO Cc1ccccc1OCCC[N@@H+](C)Cc1ccncc1C#N ZINC000592064898 346958922 /nfs/dbraw/zinc/95/89/22/346958922.db2.gz XPXXOTQBSJGZBN-UHFFFAOYSA-N 1 2 295.386 3.163 20 30 CGEDLO Cc1ccccc1OCCC[N@H+](C)Cc1ccncc1C#N ZINC000592064898 346958924 /nfs/dbraw/zinc/95/89/24/346958924.db2.gz XPXXOTQBSJGZBN-UHFFFAOYSA-N 1 2 295.386 3.163 20 30 CGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592067177 346959571 /nfs/dbraw/zinc/95/95/71/346959571.db2.gz QEGCCDHNKQSSCE-QGZVFWFLSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592067177 346959575 /nfs/dbraw/zinc/95/95/75/346959575.db2.gz QEGCCDHNKQSSCE-QGZVFWFLSA-N 1 2 293.370 3.299 20 30 CGEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccncc1C#N)CCC2 ZINC000592079566 346961456 /nfs/dbraw/zinc/96/14/56/346961456.db2.gz CZIMCNIYNRTZFR-HNNXBMFYSA-N 1 2 298.415 3.228 20 30 CGEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccncc1C#N)CCC2 ZINC000592079566 346961459 /nfs/dbraw/zinc/96/14/59/346961459.db2.gz CZIMCNIYNRTZFR-HNNXBMFYSA-N 1 2 298.415 3.228 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3cccc(F)c3)CCC2)n1 ZINC000592145145 346967018 /nfs/dbraw/zinc/96/70/18/346967018.db2.gz PDDBFPNBXGUUKQ-UHFFFAOYSA-N 1 2 287.363 3.323 20 30 CGEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152151 346967625 /nfs/dbraw/zinc/96/76/25/346967625.db2.gz UYTKVDBQYQEOKJ-YGRLFVJLSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152151 346967627 /nfs/dbraw/zinc/96/76/27/346967627.db2.gz UYTKVDBQYQEOKJ-YGRLFVJLSA-N 1 2 299.201 3.405 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1CC(C)C ZINC000592499899 346993931 /nfs/dbraw/zinc/99/39/31/346993931.db2.gz PNHJKUMTPFFVKZ-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1CC(C)C ZINC000592499899 346993934 /nfs/dbraw/zinc/99/39/34/346993934.db2.gz PNHJKUMTPFFVKZ-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO N#CCCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593051808 347032835 /nfs/dbraw/zinc/03/28/35/347032835.db2.gz DOHVQJNVJJGSDW-UHFFFAOYSA-N 1 2 298.217 3.419 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1ccc(Br)o1 ZINC000042530682 344984581 /nfs/dbraw/zinc/98/45/81/344984581.db2.gz ABIGACJREYFXLB-UHFFFAOYSA-N 1 2 271.158 3.166 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(Br)o1 ZINC000042530682 344984583 /nfs/dbraw/zinc/98/45/83/344984583.db2.gz ABIGACJREYFXLB-UHFFFAOYSA-N 1 2 271.158 3.166 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000052101131 345098262 /nfs/dbraw/zinc/09/82/62/345098262.db2.gz UNRFITVTJOOFLQ-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000052101131 345098265 /nfs/dbraw/zinc/09/82/65/345098265.db2.gz UNRFITVTJOOFLQ-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000064796870 345264656 /nfs/dbraw/zinc/26/46/56/345264656.db2.gz YJAUGXKCGHQGMC-NSHDSACASA-N 1 2 272.392 3.406 20 30 CGEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000064796870 345264659 /nfs/dbraw/zinc/26/46/59/345264659.db2.gz YJAUGXKCGHQGMC-NSHDSACASA-N 1 2 272.392 3.406 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000066469973 345297052 /nfs/dbraw/zinc/29/70/52/345297052.db2.gz LWNXEHHOSMAINH-NSHDSACASA-N 1 2 294.782 3.093 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000066469973 345297056 /nfs/dbraw/zinc/29/70/56/345297056.db2.gz LWNXEHHOSMAINH-NSHDSACASA-N 1 2 294.782 3.093 20 30 CGEDLO C[C@@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@@H](C)S1 ZINC000075890935 345526915 /nfs/dbraw/zinc/52/69/15/345526915.db2.gz BFBMGCAXMCBBCG-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO N#Cc1nccnc1Nc1cccc([NH+]2CCCCCC2)c1 ZINC000077235396 345563386 /nfs/dbraw/zinc/56/33/86/345563386.db2.gz XKWJNVYPRSTOJJ-UHFFFAOYSA-N 1 2 293.374 3.472 20 30 CGEDLO C[N@H+](Cc1ccsc1)Cc1cc(F)ccc1C#N ZINC000158243472 346163707 /nfs/dbraw/zinc/16/37/07/346163707.db2.gz WBGOZCAJWIIVGJ-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccsc1)Cc1cc(F)ccc1C#N ZINC000158243472 346163710 /nfs/dbraw/zinc/16/37/10/346163710.db2.gz WBGOZCAJWIIVGJ-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO Oc1ccc2c(c1)C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000166936033 346187556 /nfs/dbraw/zinc/18/75/56/346187556.db2.gz SDLPEICISIQQQO-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO Oc1ccc2c(c1)C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000166936033 346187560 /nfs/dbraw/zinc/18/75/60/346187560.db2.gz SDLPEICISIQQQO-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOc3ccccc3C2)c1F ZINC000223524451 346300538 /nfs/dbraw/zinc/30/05/38/346300538.db2.gz MKHUAOVMDYDSFZ-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOc3ccccc3C2)c1F ZINC000223524451 346300540 /nfs/dbraw/zinc/30/05/40/346300540.db2.gz MKHUAOVMDYDSFZ-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000593563943 347091578 /nfs/dbraw/zinc/09/15/78/347091578.db2.gz VCYYTEMCFLIDOG-NSHDSACASA-N 1 2 298.390 3.359 20 30 CGEDLO CN(C)c1[nH]c2ccc(NC(=O)CCCCCC#N)cc2[nH+]1 ZINC000588723076 346766505 /nfs/dbraw/zinc/76/65/05/346766505.db2.gz XIQGIYHNQHJKOY-UHFFFAOYSA-N 1 2 299.378 3.041 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000588934169 346776553 /nfs/dbraw/zinc/77/65/53/346776553.db2.gz DRGMLGVYVFOMEM-UHFFFAOYSA-N 1 2 250.292 3.226 20 30 CGEDLO COCc1cc[nH+]c(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000593725108 347108683 /nfs/dbraw/zinc/10/86/83/347108683.db2.gz KDJNDUHRKGLNQV-GFCCVEGCSA-N 1 2 267.332 3.273 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593959247 347123979 /nfs/dbraw/zinc/12/39/79/347123979.db2.gz IIJWADVWRRJZDV-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593959247 347123982 /nfs/dbraw/zinc/12/39/82/347123982.db2.gz IIJWADVWRRJZDV-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO CCCc1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594032357 347141170 /nfs/dbraw/zinc/14/11/70/347141170.db2.gz DYPMVMOJHONUBZ-UHFFFAOYSA-N 1 2 296.374 3.063 20 30 CGEDLO N#CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594034760 347141228 /nfs/dbraw/zinc/14/12/28/347141228.db2.gz GYYLNMMOPFSGOS-UHFFFAOYSA-N 1 2 270.254 3.078 20 30 CGEDLO C=CCCn1cc(CSCc2ccc(C)[nH+]c2C)nn1 ZINC000594558806 347192950 /nfs/dbraw/zinc/19/29/50/347192950.db2.gz GESLTJOZNVGSQD-UHFFFAOYSA-N 1 2 288.420 3.299 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000594597856 347199498 /nfs/dbraw/zinc/19/94/98/347199498.db2.gz XPGMCDCSHMUQKT-UHFFFAOYSA-N 1 2 282.391 3.225 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000594597856 347199501 /nfs/dbraw/zinc/19/95/01/347199501.db2.gz XPGMCDCSHMUQKT-UHFFFAOYSA-N 1 2 282.391 3.225 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000594616031 347204904 /nfs/dbraw/zinc/20/49/04/347204904.db2.gz WAQUJDOKAHSKAD-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)cs1)C2 ZINC000594616031 347204907 /nfs/dbraw/zinc/20/49/07/347204907.db2.gz WAQUJDOKAHSKAD-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO N#Cc1cnccc1SCc1[nH+]ccn1CC(F)(F)F ZINC000594907288 347226747 /nfs/dbraw/zinc/22/67/47/347226747.db2.gz GBOUQJFSRZZOAD-UHFFFAOYSA-N 1 2 298.293 3.004 20 30 CGEDLO N#C[C@@H](c1ccccc1)[NH+]1CCc2ccccc2CC1 ZINC000595320671 347291683 /nfs/dbraw/zinc/29/16/83/347291683.db2.gz FJKHOUMCKRTPDY-SFHVURJKSA-N 1 2 262.356 3.352 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595334549 347293959 /nfs/dbraw/zinc/29/39/59/347293959.db2.gz SDHCXEOOIAVMQZ-QLFBSQMISA-N 1 2 258.365 3.431 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595334549 347293963 /nfs/dbraw/zinc/29/39/63/347293963.db2.gz SDHCXEOOIAVMQZ-QLFBSQMISA-N 1 2 258.365 3.431 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000595610491 347326447 /nfs/dbraw/zinc/32/64/47/347326447.db2.gz ZRXZVYCOUXNRCG-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000595610491 347326449 /nfs/dbraw/zinc/32/64/49/347326449.db2.gz ZRXZVYCOUXNRCG-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO CC(C)(C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)no1 ZINC000595637269 347331338 /nfs/dbraw/zinc/33/13/38/347331338.db2.gz VOPPJBGKMILBFU-UHFFFAOYSA-N 1 2 298.390 3.264 20 30 CGEDLO CC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H](C)C#N ZINC000595819467 347360021 /nfs/dbraw/zinc/36/00/21/347360021.db2.gz BARVANLZASSDTM-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO CC[N@@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H](C)C#N ZINC000595819467 347360023 /nfs/dbraw/zinc/36/00/23/347360023.db2.gz BARVANLZASSDTM-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000595510534 347313749 /nfs/dbraw/zinc/31/37/49/347313749.db2.gz LMUREBWBGQVVDG-MLHJIOFPSA-N 1 2 284.403 3.267 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000595510534 347313750 /nfs/dbraw/zinc/31/37/50/347313750.db2.gz LMUREBWBGQVVDG-MLHJIOFPSA-N 1 2 284.403 3.267 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1Cl ZINC000595843678 347366640 /nfs/dbraw/zinc/36/66/40/347366640.db2.gz MAVLLOXVPAOLMQ-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1Cl ZINC000595843678 347366641 /nfs/dbraw/zinc/36/66/41/347366641.db2.gz MAVLLOXVPAOLMQ-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887731 347371025 /nfs/dbraw/zinc/37/10/25/347371025.db2.gz BMOUNLHDOAOBJO-RISCZKNCSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595887731 347371026 /nfs/dbraw/zinc/37/10/26/347371026.db2.gz BMOUNLHDOAOBJO-RISCZKNCSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H](CC#N)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000597449330 347575770 /nfs/dbraw/zinc/57/57/70/347575770.db2.gz ZTQPMKLVEFNJMK-NSHDSACASA-N 1 2 298.390 3.359 20 30 CGEDLO Cc1nccnc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000598672056 347677245 /nfs/dbraw/zinc/67/72/45/347677245.db2.gz GTLHTUIOXJMXBQ-WMZOPIPTSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1nccnc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000598672056 347677248 /nfs/dbraw/zinc/67/72/48/347677248.db2.gz GTLHTUIOXJMXBQ-WMZOPIPTSA-N 1 2 292.386 3.057 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598594210 347668367 /nfs/dbraw/zinc/66/83/67/347668367.db2.gz ZSCFWNMFIJYUAU-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598594210 347668368 /nfs/dbraw/zinc/66/83/68/347668368.db2.gz ZSCFWNMFIJYUAU-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC[N@@H+](Cc1cc(C)c(Br)cn1)C[C@H](C)C#N ZINC000600112332 347781214 /nfs/dbraw/zinc/78/12/14/347781214.db2.gz JSJIKEUYXIBTPW-SNVBAGLBSA-N 1 2 296.212 3.134 20 30 CGEDLO CC[N@H+](Cc1cc(C)c(Br)cn1)C[C@H](C)C#N ZINC000600112332 347781215 /nfs/dbraw/zinc/78/12/15/347781215.db2.gz JSJIKEUYXIBTPW-SNVBAGLBSA-N 1 2 296.212 3.134 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)s1 ZINC000599697824 347767347 /nfs/dbraw/zinc/76/73/47/347767347.db2.gz AUCFSLCFAAJMMA-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)s1 ZINC000599697824 347767350 /nfs/dbraw/zinc/76/73/50/347767350.db2.gz AUCFSLCFAAJMMA-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO CN(C)c1c(F)c(F)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000600118229 347782066 /nfs/dbraw/zinc/78/20/66/347782066.db2.gz SKBNFQAVRQFQJC-UHFFFAOYSA-N 1 2 293.361 3.156 20 30 CGEDLO CN(C)c1c(F)c(F)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000600118229 347782070 /nfs/dbraw/zinc/78/20/70/347782070.db2.gz SKBNFQAVRQFQJC-UHFFFAOYSA-N 1 2 293.361 3.156 20 30 CGEDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000599478220 347747509 /nfs/dbraw/zinc/74/75/09/347747509.db2.gz LHEBPFYKZBWECI-MLGOLLRUSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000599478220 347747510 /nfs/dbraw/zinc/74/75/10/347747510.db2.gz LHEBPFYKZBWECI-MLGOLLRUSA-N 1 2 294.345 3.111 20 30 CGEDLO CCc1noc(CC)c1C[NH2+]Cc1cccc(F)c1C#N ZINC000602014223 347932749 /nfs/dbraw/zinc/93/27/49/347932749.db2.gz SUIBJVMJHHSRPE-UHFFFAOYSA-N 1 2 287.338 3.100 20 30 CGEDLO COC(=O)c1csc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000602465980 347962966 /nfs/dbraw/zinc/96/29/66/347962966.db2.gz RZRLJPSMNXBXOE-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO COC(=O)c1csc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000602465980 347962967 /nfs/dbraw/zinc/96/29/67/347962967.db2.gz RZRLJPSMNXBXOE-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO Cc1ncc([C@H](C)[N@@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000602466527 347962975 /nfs/dbraw/zinc/96/29/75/347962975.db2.gz XRHXFIZAPSHXBN-AWEZNQCLSA-N 1 2 274.412 3.416 20 30 CGEDLO Cc1ncc([C@H](C)[N@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000602466527 347962976 /nfs/dbraw/zinc/96/29/76/347962976.db2.gz XRHXFIZAPSHXBN-AWEZNQCLSA-N 1 2 274.412 3.416 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccco1 ZINC000602534857 347977253 /nfs/dbraw/zinc/97/72/53/347977253.db2.gz SHCDNSAILISDKA-MRXNPFEDSA-N 1 2 299.374 3.050 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000602611631 347993667 /nfs/dbraw/zinc/99/36/67/347993667.db2.gz YHDZCDKQWRRRMW-CQSZACIVSA-N 1 2 265.307 3.145 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000602611631 347993673 /nfs/dbraw/zinc/99/36/73/347993673.db2.gz YHDZCDKQWRRRMW-CQSZACIVSA-N 1 2 265.307 3.145 20 30 CGEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CC2(CC#N)CC2)c(C)c1 ZINC000602763458 348025706 /nfs/dbraw/zinc/02/57/06/348025706.db2.gz KSPWNZLXHPYCLC-UHFFFAOYSA-N 1 2 299.418 3.176 20 30 CGEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CC2(CC#N)CC2)c(C)c1 ZINC000602763458 348025707 /nfs/dbraw/zinc/02/57/07/348025707.db2.gz KSPWNZLXHPYCLC-UHFFFAOYSA-N 1 2 299.418 3.176 20 30 CGEDLO COc1ncc(C[N@H+](C[C@@H](C)C#N)C2CC2)c2ccccc21 ZINC000602797488 348030247 /nfs/dbraw/zinc/03/02/47/348030247.db2.gz CEIAOUPQOWYZQO-ZDUSSCGKSA-N 1 2 295.386 3.367 20 30 CGEDLO COc1ncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c2ccccc21 ZINC000602797488 348030252 /nfs/dbraw/zinc/03/02/52/348030252.db2.gz CEIAOUPQOWYZQO-ZDUSSCGKSA-N 1 2 295.386 3.367 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602974908 348048320 /nfs/dbraw/zinc/04/83/20/348048320.db2.gz VSRSJLXXQVXLQY-SMDDNHRTSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602974908 348048322 /nfs/dbraw/zinc/04/83/22/348048322.db2.gz VSRSJLXXQVXLQY-SMDDNHRTSA-N 1 2 250.292 3.089 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980113 348050038 /nfs/dbraw/zinc/05/00/38/348050038.db2.gz LZRVAOOMKHKMQU-BXUZGUMPSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980113 348050039 /nfs/dbraw/zinc/05/00/39/348050039.db2.gz LZRVAOOMKHKMQU-BXUZGUMPSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[C@@H]1C#N ZINC000602981524 348051081 /nfs/dbraw/zinc/05/10/81/348051081.db2.gz FNDDYOKLWVIFCD-WBVHZDCISA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[C@@H]1C#N ZINC000602981524 348051084 /nfs/dbraw/zinc/05/10/84/348051084.db2.gz FNDDYOKLWVIFCD-WBVHZDCISA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@H+](Cc1ccccc1OC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602982314 348052197 /nfs/dbraw/zinc/05/21/97/348052197.db2.gz QNNJMTPBDPQHHI-XJKSGUPXSA-N 1 2 270.376 3.352 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602982314 348052198 /nfs/dbraw/zinc/05/21/98/348052198.db2.gz QNNJMTPBDPQHHI-XJKSGUPXSA-N 1 2 270.376 3.352 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602982425 348052208 /nfs/dbraw/zinc/05/22/08/348052208.db2.gz SBXIHPWJFBLNNE-ZBFHGGJFSA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cc(C)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602982425 348052212 /nfs/dbraw/zinc/05/22/12/348052212.db2.gz SBXIHPWJFBLNNE-ZBFHGGJFSA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cccn2cc(CCNc3ccc(C#N)cc3)[nH+]c12 ZINC000610468824 348383991 /nfs/dbraw/zinc/38/39/91/348383991.db2.gz GNXHZJFVHAANLE-UHFFFAOYSA-N 1 2 276.343 3.169 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000610511760 348386785 /nfs/dbraw/zinc/38/67/85/348386785.db2.gz VXMJMEAHLDQCQV-HNNXBMFYSA-N 1 2 288.391 3.088 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000610511760 348386787 /nfs/dbraw/zinc/38/67/87/348386787.db2.gz VXMJMEAHLDQCQV-HNNXBMFYSA-N 1 2 288.391 3.088 20 30 CGEDLO N#Cc1ccc(COc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000609850211 348355332 /nfs/dbraw/zinc/35/53/32/348355332.db2.gz AXQSAXWACJLUTM-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000611386904 348443675 /nfs/dbraw/zinc/44/36/75/348443675.db2.gz BOBMXMIPRBNYIA-ZDUSSCGKSA-N 1 2 298.390 3.381 20 30 CGEDLO N#CC1(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000611430147 348451329 /nfs/dbraw/zinc/45/13/29/348451329.db2.gz ANZNGDMWYPYYJS-CQSZACIVSA-N 1 2 258.390 3.080 20 30 CGEDLO N#CC1(C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000611430147 348451333 /nfs/dbraw/zinc/45/13/33/348451333.db2.gz ANZNGDMWYPYYJS-CQSZACIVSA-N 1 2 258.390 3.080 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000612164094 348498339 /nfs/dbraw/zinc/49/83/39/348498339.db2.gz YVHOUCZONWRZKQ-HNNXBMFYSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000612164094 348498340 /nfs/dbraw/zinc/49/83/40/348498340.db2.gz YVHOUCZONWRZKQ-HNNXBMFYSA-N 1 2 296.773 3.484 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612164979 348499474 /nfs/dbraw/zinc/49/94/74/348499474.db2.gz KCJCWCHBUPQXMY-MAUKXSAKSA-N 1 2 299.418 3.054 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612164979 348499476 /nfs/dbraw/zinc/49/94/76/348499476.db2.gz KCJCWCHBUPQXMY-MAUKXSAKSA-N 1 2 299.418 3.054 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000612406936 348517524 /nfs/dbraw/zinc/51/75/24/348517524.db2.gz XMLBIPLHSWOXJM-MRXNPFEDSA-N 1 2 274.412 3.036 20 30 CGEDLO CCCn1nc(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000612406936 348517527 /nfs/dbraw/zinc/51/75/27/348517527.db2.gz XMLBIPLHSWOXJM-MRXNPFEDSA-N 1 2 274.412 3.036 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000612584715 348530379 /nfs/dbraw/zinc/53/03/79/348530379.db2.gz XWXFSECPLJFZDG-JTQLQIEISA-N 1 2 259.740 3.280 20 30 CGEDLO C[C@H](c1cccc(Cl)c1F)[NH+]1CCN(CCC#N)CC1 ZINC000614177497 348655295 /nfs/dbraw/zinc/65/52/95/348655295.db2.gz VGVBBPTXAIFZKG-GFCCVEGCSA-N 1 2 295.789 3.071 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000615649813 348754767 /nfs/dbraw/zinc/75/47/67/348754767.db2.gz CRNSYVVOCLVNFE-IXDOHACOSA-N 1 2 272.367 3.434 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000615649813 348754770 /nfs/dbraw/zinc/75/47/70/348754770.db2.gz CRNSYVVOCLVNFE-IXDOHACOSA-N 1 2 272.367 3.434 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000618577871 349110397 /nfs/dbraw/zinc/11/03/97/349110397.db2.gz YOLAWVCNJQWINX-OCCSQVGLSA-N 1 2 264.319 3.450 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000619718848 349277873 /nfs/dbraw/zinc/27/78/73/349277873.db2.gz CIWVVNUBDRMRGM-YOEHRIQHSA-N 1 2 298.386 3.075 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000619718848 349277877 /nfs/dbraw/zinc/27/78/77/349277877.db2.gz CIWVVNUBDRMRGM-YOEHRIQHSA-N 1 2 298.386 3.075 20 30 CGEDLO C[C@@]12CC[N@H+](Cc3cccc(F)c3C#N)C[C@@H]1C2(F)F ZINC000336516144 213394211 /nfs/dbraw/zinc/39/42/11/213394211.db2.gz HLYGTQUPCOTVTM-UONOGXRCSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@@]12CC[N@@H+](Cc3cccc(F)c3C#N)C[C@@H]1C2(F)F ZINC000336516144 213394213 /nfs/dbraw/zinc/39/42/13/213394213.db2.gz HLYGTQUPCOTVTM-UONOGXRCSA-N 1 2 280.293 3.174 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000633289112 351275781 /nfs/dbraw/zinc/27/57/81/351275781.db2.gz OHQYZBPNYDUHKH-ZDUSSCGKSA-N 1 2 292.427 3.256 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC000271653807 191261022 /nfs/dbraw/zinc/26/10/22/191261022.db2.gz BQVDFIPCOWPQJL-OAHLLOKOSA-N 1 2 266.344 3.406 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nnc(C(C)C)o1)c1ccccc1 ZINC000271739451 191299999 /nfs/dbraw/zinc/29/99/99/191299999.db2.gz UXZBMJHMFFRJBW-AWEZNQCLSA-N 1 2 269.348 3.047 20 30 CGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000128759225 138395318 /nfs/dbraw/zinc/39/53/18/138395318.db2.gz CMSPGLRCAZZZDW-JTQLQIEISA-N 1 2 294.280 3.274 20 30 CGEDLO N#Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)c(Cl)c1 ZINC000430369045 236564681 /nfs/dbraw/zinc/56/46/81/236564681.db2.gz NAFGDKTVYOHGJH-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccccc1C#N ZINC000179139194 189172217 /nfs/dbraw/zinc/17/22/17/189172217.db2.gz OHEXXDLMFMDJPA-CYBMUJFWSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccccc1C#N ZINC000179139194 189172218 /nfs/dbraw/zinc/17/22/18/189172218.db2.gz OHEXXDLMFMDJPA-CYBMUJFWSA-N 1 2 251.333 3.146 20 30 CGEDLO N#Cc1cccc(Cl)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301645836 201115021 /nfs/dbraw/zinc/11/50/21/201115021.db2.gz PHALDCMQDZROPK-CQSZACIVSA-N 1 2 299.761 3.264 20 30 CGEDLO N#Cc1ccc(Nc2ccc(Nc3ccccc3)[nH+]c2)nn1 ZINC000301956294 201275946 /nfs/dbraw/zinc/27/59/46/201275946.db2.gz FPUMMJINQSLUDZ-UHFFFAOYSA-N 1 2 288.314 3.230 20 30 CGEDLO N#Cc1cc(C[NH+]2Cc3ccccc3C2)ccc1F ZINC000120260435 370755032 /nfs/dbraw/zinc/75/50/32/370755032.db2.gz AUCCFCIVVHFHFN-UHFFFAOYSA-N 1 2 252.292 3.213 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000451115896 240221104 /nfs/dbraw/zinc/22/11/04/240221104.db2.gz PMBBGADVZSOBAR-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000451115896 240221107 /nfs/dbraw/zinc/22/11/07/240221107.db2.gz PMBBGADVZSOBAR-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CC[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000121330971 370852023 /nfs/dbraw/zinc/85/20/23/370852023.db2.gz QYBTZSQOUAHLLG-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CC[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000121330971 370852028 /nfs/dbraw/zinc/85/20/28/370852028.db2.gz QYBTZSQOUAHLLG-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000032125745 368926288 /nfs/dbraw/zinc/92/62/88/368926288.db2.gz ATMWFYBEPHQLGW-UHFFFAOYSA-N 1 2 279.181 3.185 20 30 CGEDLO CSc1ccc(F)cc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000574335401 335011622 /nfs/dbraw/zinc/01/16/22/335011622.db2.gz JYPGRDHTTLPJHW-LLVKDONJSA-N 1 2 277.368 3.081 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1csc(Br)c1 ZINC000042362262 369217502 /nfs/dbraw/zinc/21/75/02/369217502.db2.gz GRLDBIKBJXQXSQ-MRVPVSSYSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1csc(Br)c1 ZINC000042362262 369217506 /nfs/dbraw/zinc/21/75/06/369217506.db2.gz GRLDBIKBJXQXSQ-MRVPVSSYSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)CC1(F)F ZINC000494284182 244277844 /nfs/dbraw/zinc/27/78/44/244277844.db2.gz CNFCFBXCWBVTEI-ZDUSSCGKSA-N 1 2 294.345 3.304 20 30 CGEDLO C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)CC1(F)F ZINC000494284182 244277849 /nfs/dbraw/zinc/27/78/49/244277849.db2.gz CNFCFBXCWBVTEI-ZDUSSCGKSA-N 1 2 294.345 3.304 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1C#N ZINC000103139911 370319438 /nfs/dbraw/zinc/31/94/38/370319438.db2.gz HCQLGEBNMFPGFO-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1C#N ZINC000103139911 370319440 /nfs/dbraw/zinc/31/94/40/370319440.db2.gz HCQLGEBNMFPGFO-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000113356946 370473230 /nfs/dbraw/zinc/47/32/30/370473230.db2.gz AWWGJFFOFANVGZ-HNNXBMFYSA-N 1 2 296.374 3.306 20 30 CGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@H](C#N)CCC#N)o1 ZINC000130832970 371062310 /nfs/dbraw/zinc/06/23/10/371062310.db2.gz VTFBNHNYBQAGIZ-ZFWWWQNUSA-N 1 2 287.363 3.006 20 30 CGEDLO COCc1ccc([C@@H]2CCC[N@H+]2C[C@H](C#N)CCC#N)o1 ZINC000130832970 371062313 /nfs/dbraw/zinc/06/23/13/371062313.db2.gz VTFBNHNYBQAGIZ-ZFWWWQNUSA-N 1 2 287.363 3.006 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3ccc(F)cc3C2)ccc1F ZINC000134064614 371299882 /nfs/dbraw/zinc/29/98/82/371299882.db2.gz FLZLLAVHRCKEGC-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)ccc1F ZINC000134064614 371299886 /nfs/dbraw/zinc/29/98/86/371299886.db2.gz FLZLLAVHRCKEGC-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1noc(CCC)n1 ZINC000150888514 371545483 /nfs/dbraw/zinc/54/54/83/371545483.db2.gz ZBMCTEAMMFJKHF-UHFFFAOYSA-N 1 2 251.374 3.200 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1noc(CCC)n1 ZINC000150888514 371545486 /nfs/dbraw/zinc/54/54/86/371545486.db2.gz ZBMCTEAMMFJKHF-UHFFFAOYSA-N 1 2 251.374 3.200 20 30 CGEDLO Cc1cc(N)nc(SCc2ccccc2C(C)(C)C#N)[nH+]1 ZINC000151134250 371573370 /nfs/dbraw/zinc/57/33/70/371573370.db2.gz XTVZYLKRVWRJCQ-UHFFFAOYSA-N 1 2 298.415 3.461 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153206069 371756888 /nfs/dbraw/zinc/75/68/88/371756888.db2.gz DYNNOTQQNGPWRB-VIFPVBQESA-N 1 2 289.326 3.255 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153206069 371756902 /nfs/dbraw/zinc/75/69/02/371756902.db2.gz DYNNOTQQNGPWRB-VIFPVBQESA-N 1 2 289.326 3.255 20 30 CGEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000157750073 372035777 /nfs/dbraw/zinc/03/57/77/372035777.db2.gz FVECTCMMIOTEJT-ZDUSSCGKSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000157750073 372035785 /nfs/dbraw/zinc/03/57/85/372035785.db2.gz FVECTCMMIOTEJT-ZDUSSCGKSA-N 1 2 260.768 3.173 20 30 CGEDLO C=CCCCN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425194750 372117029 /nfs/dbraw/zinc/11/70/29/372117029.db2.gz RCTXLBONWMALGB-INIZCTEOSA-N 1 2 297.402 3.356 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428933165 372283423 /nfs/dbraw/zinc/28/34/23/372283423.db2.gz KTKDJFZOMWHWTO-WFASDCNBSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428933165 372283430 /nfs/dbraw/zinc/28/34/30/372283430.db2.gz KTKDJFZOMWHWTO-WFASDCNBSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000293253820 372338016 /nfs/dbraw/zinc/33/80/16/372338016.db2.gz UCMDNXRDYAZBJQ-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000293253820 372338021 /nfs/dbraw/zinc/33/80/21/372338021.db2.gz UCMDNXRDYAZBJQ-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000293676397 372445679 /nfs/dbraw/zinc/44/56/79/372445679.db2.gz VDUPAMYZJYOZPX-AWEZNQCLSA-N 1 2 291.395 3.067 20 30 CGEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000293676397 372445686 /nfs/dbraw/zinc/44/56/86/372445686.db2.gz VDUPAMYZJYOZPX-AWEZNQCLSA-N 1 2 291.395 3.067 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000433309629 372588163 /nfs/dbraw/zinc/58/81/63/372588163.db2.gz BSRBJYBCXAGKEH-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000433309629 372588166 /nfs/dbraw/zinc/58/81/66/372588166.db2.gz BSRBJYBCXAGKEH-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000170867086 372671899 /nfs/dbraw/zinc/67/18/99/372671899.db2.gz YKUYSWBOUVFPHV-UHFFFAOYSA-N 1 2 291.354 3.163 20 30 CGEDLO C=CCC[C@H](C(=O)NCc1[nH+]ccn1CC)c1ccccc1 ZINC000295806183 372918109 /nfs/dbraw/zinc/91/81/09/372918109.db2.gz SFHWVHQNRSGYAR-INIZCTEOSA-N 1 2 297.402 3.269 20 30 CGEDLO C[C@@H]1[N@H+](Cc2ccc(C#N)cc2Cl)CCOC1(C)C ZINC000439423891 372977013 /nfs/dbraw/zinc/97/70/13/372977013.db2.gz QCXUNKHXZKSHKN-NSHDSACASA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@@H]1[N@@H+](Cc2ccc(C#N)cc2Cl)CCOC1(C)C ZINC000439423891 372977019 /nfs/dbraw/zinc/97/70/19/372977019.db2.gz QCXUNKHXZKSHKN-NSHDSACASA-N 1 2 278.783 3.211 20 30 CGEDLO C=C1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000441317429 373000955 /nfs/dbraw/zinc/00/09/55/373000955.db2.gz XOVGNSCHVOYBQT-UHFFFAOYSA-N 1 2 283.375 3.007 20 30 CGEDLO Cn1cc[nH+]c1[C@H]1N(c2cccc(F)c2C#N)CC1(C)C ZINC000296443339 373134703 /nfs/dbraw/zinc/13/47/03/373134703.db2.gz ZPVGUDYRGRFCKX-CQSZACIVSA-N 1 2 284.338 3.018 20 30 CGEDLO CC1(C)CCCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C#N ZINC000444729772 373253851 /nfs/dbraw/zinc/25/38/51/373253851.db2.gz HRLWKYDTEHCGTB-QGZVFWFLSA-N 1 2 294.402 3.386 20 30 CGEDLO Cc1cccc2[nH+]c(CN(CCC#N)Cc3ccco3)cn21 ZINC000176291692 373579254 /nfs/dbraw/zinc/57/92/54/373579254.db2.gz UWFWEBWGJSOBKF-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO CCS[C@@H]1CCC[C@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000176413849 373593725 /nfs/dbraw/zinc/59/37/25/373593725.db2.gz HHVXMZXHDLHWQU-JOUPJPQCSA-N 1 2 295.404 3.287 20 30 CGEDLO CCC[C@H](C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448270451 373559435 /nfs/dbraw/zinc/55/94/35/373559435.db2.gz FLHFYGHPZOCHHW-XHSDSOJGSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448270451 373559439 /nfs/dbraw/zinc/55/94/39/373559439.db2.gz FLHFYGHPZOCHHW-XHSDSOJGSA-N 1 2 264.413 3.350 20 30 CGEDLO COc1cc2ccccc2cc1C[N@H+](C)C[C@@H](C)C#N ZINC000449019717 373656276 /nfs/dbraw/zinc/65/62/76/373656276.db2.gz XBJMAVJJBVHYEK-ZDUSSCGKSA-N 1 2 268.360 3.440 20 30 CGEDLO COc1cc2ccccc2cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000449019717 373656281 /nfs/dbraw/zinc/65/62/81/373656281.db2.gz XBJMAVJJBVHYEK-ZDUSSCGKSA-N 1 2 268.360 3.440 20 30 CGEDLO C=C[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301605070 373789479 /nfs/dbraw/zinc/78/94/79/373789479.db2.gz MDFSGSANVILVRG-JTQLQIEISA-N 1 2 284.319 3.347 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1c(C)noc1C ZINC000179326310 373857846 /nfs/dbraw/zinc/85/78/46/373857846.db2.gz QEWDAGBHPFPZHZ-OAHLLOKOSA-N 1 2 269.348 3.404 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000181116718 374082973 /nfs/dbraw/zinc/08/29/73/374082973.db2.gz MDSRTUJIRUUOBC-KGLIPLIRSA-N 1 2 290.411 3.391 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2nc(C)cs2)c1O ZINC000182164667 374227014 /nfs/dbraw/zinc/22/70/14/374227014.db2.gz CEAKDBXCNTVGAQ-MDKXCRPYSA-N 1 2 290.388 3.388 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H](C)c2nccs2)c1O ZINC000182168781 374229991 /nfs/dbraw/zinc/22/99/91/374229991.db2.gz UFQZXFUNJRTPQX-HPUUJOOBSA-N 1 2 290.388 3.470 20 30 CGEDLO COc1cc[nH+]cc1COc1cc(Cl)ccc1C#N ZINC000311996986 374265527 /nfs/dbraw/zinc/26/55/27/374265527.db2.gz QWIWYNGJCSTGHD-UHFFFAOYSA-N 1 2 274.707 3.194 20 30 CGEDLO Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c(C)[nH+]1 ZINC000334144682 206068902 /nfs/dbraw/zinc/06/89/02/206068902.db2.gz VDCVCJKXKZZLLB-UHFFFAOYSA-N 1 2 291.354 3.240 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000183831544 374464270 /nfs/dbraw/zinc/46/42/70/374464270.db2.gz JQIMXBUUSIAHSF-NSHDSACASA-N 1 2 285.303 3.104 20 30 CGEDLO CC(C)[C@H](NC(=O)c1scnc1C1CC1)c1[nH]cc[nH+]1 ZINC000329934030 374442603 /nfs/dbraw/zinc/44/26/03/374442603.db2.gz QJEQZEKHCJHDGM-JTQLQIEISA-N 1 2 290.392 3.446 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183800004 374457445 /nfs/dbraw/zinc/45/74/45/374457445.db2.gz VSEMCDSMFANNLG-UHFFFAOYSA-N 1 2 291.694 3.003 20 30 CGEDLO CC[C@](C)(NC(=O)c1c[nH+]c(C)[nH]1)c1nc(C)cs1 ZINC000330451435 374467848 /nfs/dbraw/zinc/46/78/48/374467848.db2.gz KFOLNTBVPTZFBL-ZDUSSCGKSA-N 1 2 278.381 3.113 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(C)o1 ZINC000184714686 374554659 /nfs/dbraw/zinc/55/46/59/374554659.db2.gz ZSKRAILEFAPWJK-HNNXBMFYSA-N 1 2 288.322 3.076 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000187410435 375019187 /nfs/dbraw/zinc/01/91/87/375019187.db2.gz VEDLXYDIXIYKCJ-MRXNPFEDSA-N 1 2 286.762 3.035 20 30 CGEDLO C=CCOCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000489389277 375316589 /nfs/dbraw/zinc/31/65/89/375316589.db2.gz OGBYBAFMVWLGMO-UHFFFAOYSA-N 1 2 298.342 3.323 20 30 CGEDLO C#CC[N@@H+](Cc1oc(CC)nc1C)Cc1ccccc1 ZINC000491768828 375341554 /nfs/dbraw/zinc/34/15/54/375341554.db2.gz JNJHUFYCWYXGED-UHFFFAOYSA-N 1 2 268.360 3.181 20 30 CGEDLO C#CC[N@H+](Cc1oc(CC)nc1C)Cc1ccccc1 ZINC000491768828 375341559 /nfs/dbraw/zinc/34/15/59/375341559.db2.gz JNJHUFYCWYXGED-UHFFFAOYSA-N 1 2 268.360 3.181 20 30 CGEDLO CCN(C)c1ccc(CNc2ccc(C#N)cc2)c[nH+]1 ZINC000191555442 375638329 /nfs/dbraw/zinc/63/83/29/375638329.db2.gz GGJGVCLDJAUIOC-UHFFFAOYSA-N 1 2 266.348 3.021 20 30 CGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000336188789 375755023 /nfs/dbraw/zinc/75/50/23/375755023.db2.gz BSVAOMINLRJCCZ-INIZCTEOSA-N 1 2 294.402 3.404 20 30 CGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000336188789 375755030 /nfs/dbraw/zinc/75/50/30/375755030.db2.gz BSVAOMINLRJCCZ-INIZCTEOSA-N 1 2 294.402 3.404 20 30 CGEDLO N#CCC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000336290628 375772629 /nfs/dbraw/zinc/77/26/29/375772629.db2.gz ZJDZKKBMCBNULT-LBPRGKRZSA-N 1 2 279.181 3.152 20 30 CGEDLO N#CCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000336290628 375772632 /nfs/dbraw/zinc/77/26/32/375772632.db2.gz ZJDZKKBMCBNULT-LBPRGKRZSA-N 1 2 279.181 3.152 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccsc2Br)o1 ZINC000336690963 375905501 /nfs/dbraw/zinc/90/55/01/375905501.db2.gz WOYYMKSREDLCJE-UHFFFAOYSA-N 1 2 297.177 3.265 20 30 CGEDLO C=C1CC[NH+](Cc2cc(OCC)c(OC)cc2F)CC1 ZINC000529532311 375928052 /nfs/dbraw/zinc/92/80/52/375928052.db2.gz YAFLKBUTMITRFU-UHFFFAOYSA-N 1 2 279.355 3.385 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000336856163 376012494 /nfs/dbraw/zinc/01/24/94/376012494.db2.gz KRKHOBBEXLFIMF-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000336856163 376012502 /nfs/dbraw/zinc/01/25/02/376012502.db2.gz KRKHOBBEXLFIMF-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000336856164 376014854 /nfs/dbraw/zinc/01/48/54/376014854.db2.gz KRKHOBBEXLFIMF-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000336856164 376014859 /nfs/dbraw/zinc/01/48/59/376014859.db2.gz KRKHOBBEXLFIMF-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO C=CC1CC[NH+](CC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000131907975 542074020 /nfs/dbraw/zinc/07/40/20/542074020.db2.gz BKMXPWPZUUVWTJ-UHFFFAOYSA-N 1 2 292.810 3.485 20 30 CGEDLO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)CC1(F)F ZINC000337232457 376152117 /nfs/dbraw/zinc/15/21/17/376152117.db2.gz JPLHMKZCXBDBGV-ZDUSSCGKSA-N 1 2 286.366 3.064 20 30 CGEDLO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC1(F)F ZINC000337232457 376152124 /nfs/dbraw/zinc/15/21/24/376152124.db2.gz JPLHMKZCXBDBGV-ZDUSSCGKSA-N 1 2 286.366 3.064 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3cccc(C#N)c3C)cc2[nH+]1 ZINC000338166439 376272476 /nfs/dbraw/zinc/27/24/76/376272476.db2.gz PRSWASWQODQFRX-UHFFFAOYSA-N 1 2 290.326 3.304 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3cccc(C#N)c3C)ccc2[nH+]1 ZINC000338166439 376272485 /nfs/dbraw/zinc/27/24/85/376272485.db2.gz PRSWASWQODQFRX-UHFFFAOYSA-N 1 2 290.326 3.304 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000339763111 376836934 /nfs/dbraw/zinc/83/69/34/376836934.db2.gz MBAOSXPDHGCUFB-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000339763111 376836940 /nfs/dbraw/zinc/83/69/40/376836940.db2.gz MBAOSXPDHGCUFB-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)Cc1ccccc1 ZINC000555880463 376860518 /nfs/dbraw/zinc/86/05/18/376860518.db2.gz MRRPBJATHFQQTK-UHFFFAOYSA-N 1 2 270.332 3.065 20 30 CGEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)Cc1ccccc1 ZINC000555880463 376860523 /nfs/dbraw/zinc/86/05/23/376860523.db2.gz MRRPBJATHFQQTK-UHFFFAOYSA-N 1 2 270.332 3.065 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccsc2)O1 ZINC000245733111 376895550 /nfs/dbraw/zinc/89/55/50/376895550.db2.gz KCYIKFFPAAKNIL-ABAIWWIYSA-N 1 2 288.372 3.175 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccsc2)O1 ZINC000245733111 376895564 /nfs/dbraw/zinc/89/55/64/376895564.db2.gz KCYIKFFPAAKNIL-ABAIWWIYSA-N 1 2 288.372 3.175 20 30 CGEDLO C[C@H](CC#N)[NH+](C)Cc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000246962375 377129290 /nfs/dbraw/zinc/12/92/90/377129290.db2.gz CIIYJIPMIGTZDZ-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[NH+](C)Cc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000246962375 377129299 /nfs/dbraw/zinc/12/92/99/377129299.db2.gz CIIYJIPMIGTZDZ-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000246962375 377129309 /nfs/dbraw/zinc/12/93/09/377129309.db2.gz CIIYJIPMIGTZDZ-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000246962375 377129313 /nfs/dbraw/zinc/12/93/13/377129313.db2.gz CIIYJIPMIGTZDZ-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO Cc1[nH]c2ccc(COc3cc(F)cc(C#N)c3)cc2[nH+]1 ZINC000340777212 377256670 /nfs/dbraw/zinc/25/66/70/377256670.db2.gz IVCOUJVGOGGYBC-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO Cc1[nH]c2cc(COc3cc(F)cc(C#N)c3)ccc2[nH+]1 ZINC000340777212 377256680 /nfs/dbraw/zinc/25/66/80/377256680.db2.gz IVCOUJVGOGGYBC-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO Cc1cc(F)c(C[NH2+]CC2(C#N)CC2)c(Cl)c1 ZINC000562687204 377347924 /nfs/dbraw/zinc/34/79/24/377347924.db2.gz XMQIAWPLXMXPGD-UHFFFAOYSA-N 1 2 252.720 3.181 20 30 CGEDLO N#CCC[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000566108143 377493323 /nfs/dbraw/zinc/49/33/23/377493323.db2.gz CXXFKFPFQGBFQT-UHFFFAOYSA-N 1 2 285.391 3.209 20 30 CGEDLO C=C(C)C[N@H+](Cc1snnc1C)Cc1ccccc1 ZINC000567994844 377513137 /nfs/dbraw/zinc/51/31/37/377513137.db2.gz WRNKIXWNUXFQDR-UHFFFAOYSA-N 1 2 273.405 3.425 20 30 CGEDLO C=C(C)C[N@@H+](Cc1snnc1C)Cc1ccccc1 ZINC000567994844 377513142 /nfs/dbraw/zinc/51/31/42/377513142.db2.gz WRNKIXWNUXFQDR-UHFFFAOYSA-N 1 2 273.405 3.425 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575062846 377745084 /nfs/dbraw/zinc/74/50/84/377745084.db2.gz BBPZIKOQLYQBCV-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575062846 377745093 /nfs/dbraw/zinc/74/50/93/377745093.db2.gz BBPZIKOQLYQBCV-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343524787 378006407 /nfs/dbraw/zinc/00/64/07/378006407.db2.gz MWMGZJCXPCWNPD-OAHLLOKOSA-N 1 2 297.402 3.406 20 30 CGEDLO CC(C)[C@@H](C/[NH+]=C/c1cccc(O)c1O)c1cccnc1 ZINC000267542529 378042293 /nfs/dbraw/zinc/04/22/93/378042293.db2.gz CBJIUYYFPCRNRT-GDXCHIGESA-N 1 2 284.359 3.352 20 30 CGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000343563882 378022381 /nfs/dbraw/zinc/02/23/81/378022381.db2.gz MUSNTZSRDPNYDS-VXGBXAGGSA-N 1 2 258.340 3.437 20 30 CGEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC1(C#N)CC1 ZINC000343563882 378022387 /nfs/dbraw/zinc/02/23/87/378022387.db2.gz MUSNTZSRDPNYDS-VXGBXAGGSA-N 1 2 258.340 3.437 20 30 CGEDLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000270288063 378330846 /nfs/dbraw/zinc/33/08/46/378330846.db2.gz LHXPGOKGFYTQTC-LBPRGKRZSA-N 1 2 293.374 3.343 20 30 CGEDLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000270288063 378330849 /nfs/dbraw/zinc/33/08/49/378330849.db2.gz LHXPGOKGFYTQTC-LBPRGKRZSA-N 1 2 293.374 3.343 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000345839492 378384404 /nfs/dbraw/zinc/38/44/04/378384404.db2.gz FAQPTIKYPSJVTB-LLVKDONJSA-N 1 2 273.311 3.215 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000345839492 378384409 /nfs/dbraw/zinc/38/44/09/378384409.db2.gz FAQPTIKYPSJVTB-LLVKDONJSA-N 1 2 273.311 3.215 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000274284272 378803278 /nfs/dbraw/zinc/80/32/78/378803278.db2.gz YYAVGOMJDFKIQE-IUCAKERBSA-N 1 2 290.367 3.269 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1ncc(C)cn1 ZINC000348206955 378838746 /nfs/dbraw/zinc/83/87/46/378838746.db2.gz SSMRBJAPIGHZMV-UHFFFAOYSA-N 1 2 267.376 3.363 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ncc(C)cn1 ZINC000348206955 378838751 /nfs/dbraw/zinc/83/87/51/378838751.db2.gz SSMRBJAPIGHZMV-UHFFFAOYSA-N 1 2 267.376 3.363 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)cs2)n1 ZINC000348833345 379070750 /nfs/dbraw/zinc/07/07/50/379070750.db2.gz MMZKDFBEDFZKEK-ZDUSSCGKSA-N 1 2 288.376 3.038 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(C#N)cs2)n1 ZINC000348833345 379070760 /nfs/dbraw/zinc/07/07/60/379070760.db2.gz MMZKDFBEDFZKEK-ZDUSSCGKSA-N 1 2 288.376 3.038 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000370779683 379070843 /nfs/dbraw/zinc/07/08/43/379070843.db2.gz ABYALPAPQMXZMK-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000370779683 379070852 /nfs/dbraw/zinc/07/08/52/379070852.db2.gz ABYALPAPQMXZMK-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375685722 379504732 /nfs/dbraw/zinc/50/47/32/379504732.db2.gz UFXWVJWMSGCFDJ-OAHLLOKOSA-N 1 2 279.387 3.367 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375685722 379504739 /nfs/dbraw/zinc/50/47/39/379504739.db2.gz UFXWVJWMSGCFDJ-OAHLLOKOSA-N 1 2 279.387 3.367 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000375842331 379510858 /nfs/dbraw/zinc/51/08/58/379510858.db2.gz VMCBPGKBJIVLHT-HOTGVXAUSA-N 1 2 265.360 3.141 20 30 CGEDLO N#CCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376526477 379575055 /nfs/dbraw/zinc/57/50/55/379575055.db2.gz LFBGMNPDTUWXEG-ZDUSSCGKSA-N 1 2 274.368 3.168 20 30 CGEDLO N#CCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376526477 379575064 /nfs/dbraw/zinc/57/50/64/379575064.db2.gz LFBGMNPDTUWXEG-ZDUSSCGKSA-N 1 2 274.368 3.168 20 30 CGEDLO Cc1ccnc(NCc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000376547456 379576527 /nfs/dbraw/zinc/57/65/27/379576527.db2.gz JPLNYECKJLGLGN-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1[C@H]1CCCO1 ZINC000377668480 379717416 /nfs/dbraw/zinc/71/74/16/379717416.db2.gz BYOJDXTZLBVUNG-CVEARBPZSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1[C@H]1CCCO1 ZINC000377668480 379717421 /nfs/dbraw/zinc/71/74/21/379717421.db2.gz BYOJDXTZLBVUNG-CVEARBPZSA-N 1 2 288.366 3.087 20 30 CGEDLO C=CCCCNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281348749 379830462 /nfs/dbraw/zinc/83/04/62/379830462.db2.gz ZPGKYWIQKIKUGY-CQSZACIVSA-N 1 2 290.411 3.106 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1nccc(C)c1C#N ZINC000281954696 379848659 /nfs/dbraw/zinc/84/86/59/379848659.db2.gz KCJYGIYLJTWLIH-HNNXBMFYSA-N 1 2 295.390 3.210 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000352823921 379984084 /nfs/dbraw/zinc/98/40/84/379984084.db2.gz PCXPHLXUCIKFLL-ZBFHGGJFSA-N 1 2 299.399 3.025 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cc(F)c(Cl)cc2F)n1 ZINC000352899114 380026074 /nfs/dbraw/zinc/02/60/74/380026074.db2.gz QCVZXNZLVHRFED-UHFFFAOYSA-N 1 2 299.733 3.236 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](CC)C(=O)OCC ZINC000411138949 380129806 /nfs/dbraw/zinc/12/98/06/380129806.db2.gz QVBMYHANKNTXAA-ZDUSSCGKSA-N 1 2 267.394 3.078 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](CC)C(=O)OCC ZINC000411138949 380129813 /nfs/dbraw/zinc/12/98/13/380129813.db2.gz QVBMYHANKNTXAA-ZDUSSCGKSA-N 1 2 267.394 3.078 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(CC)o1 ZINC000411137698 380130130 /nfs/dbraw/zinc/13/01/30/380130130.db2.gz VKJHCRPVUVEYDG-ZDUSSCGKSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(CC)o1 ZINC000411137698 380130134 /nfs/dbraw/zinc/13/01/34/380130134.db2.gz VKJHCRPVUVEYDG-ZDUSSCGKSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1nc(CC)no1 ZINC000411141866 380132118 /nfs/dbraw/zinc/13/21/18/380132118.db2.gz VRMLPAQNBLHLEL-NSHDSACASA-N 1 2 277.393 3.443 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1nc(CC)no1 ZINC000411141866 380132123 /nfs/dbraw/zinc/13/21/23/380132123.db2.gz VRMLPAQNBLHLEL-NSHDSACASA-N 1 2 277.393 3.443 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1cnccn1 ZINC000411140215 380132142 /nfs/dbraw/zinc/13/21/42/380132142.db2.gz SRRFMWSWLPFGNV-GFCCVEGCSA-N 1 2 259.378 3.287 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1cnccn1 ZINC000411140215 380132146 /nfs/dbraw/zinc/13/21/46/380132146.db2.gz SRRFMWSWLPFGNV-GFCCVEGCSA-N 1 2 259.378 3.287 20 30 CGEDLO CCC[N@H+](CCC1(C#N)CCCCC1)CC(=O)OCC ZINC000411191402 380134198 /nfs/dbraw/zinc/13/41/98/380134198.db2.gz BVOOPXJBNSQMFP-UHFFFAOYSA-N 1 2 280.412 3.126 20 30 CGEDLO CCC[N@@H+](CCC1(C#N)CCCCC1)CC(=O)OCC ZINC000411191402 380134204 /nfs/dbraw/zinc/13/42/04/380134204.db2.gz BVOOPXJBNSQMFP-UHFFFAOYSA-N 1 2 280.412 3.126 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000411535365 380150047 /nfs/dbraw/zinc/15/00/47/380150047.db2.gz PZNFELFALBTJAQ-NWDGAFQWSA-N 1 2 276.384 3.460 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000645009898 380564022 /nfs/dbraw/zinc/56/40/22/380564022.db2.gz SMJBROUGZVZFIR-UHFFFAOYSA-N 1 2 272.352 3.058 20 30 CGEDLO Cc1c(Cl)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)nn1C ZINC000421336467 380879364 /nfs/dbraw/zinc/87/93/64/380879364.db2.gz WOHJIQBHZXWYMY-SNVBAGLBSA-N 1 2 288.782 3.104 20 30 CGEDLO C#CCCCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000190524094 533024259 /nfs/dbraw/zinc/02/42/59/533024259.db2.gz VAGVPMIYIXFQRP-UHFFFAOYSA-N 1 2 281.359 3.193 20 30 CGEDLO C=CCOc1cccc(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000171159218 335057118 /nfs/dbraw/zinc/05/71/18/335057118.db2.gz LOQAKQFIGIHTNQ-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000093091227 392234740 /nfs/dbraw/zinc/23/47/40/392234740.db2.gz RANRSPSVEMVCFT-UHFFFAOYSA-N 1 2 292.452 3.115 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000093091227 392234743 /nfs/dbraw/zinc/23/47/43/392234743.db2.gz RANRSPSVEMVCFT-UHFFFAOYSA-N 1 2 292.452 3.115 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000093101297 392235710 /nfs/dbraw/zinc/23/57/10/392235710.db2.gz DUNPRCYMZROXAT-UHFFFAOYSA-N 1 2 276.428 3.400 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000093101297 392235713 /nfs/dbraw/zinc/23/57/13/392235713.db2.gz DUNPRCYMZROXAT-UHFFFAOYSA-N 1 2 276.428 3.400 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC(F)F ZINC000097078781 392258799 /nfs/dbraw/zinc/25/87/99/392258799.db2.gz VXHUEINZKAZZLG-JTQLQIEISA-N 1 2 284.306 3.031 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC(F)F ZINC000097078781 392258804 /nfs/dbraw/zinc/25/88/04/392258804.db2.gz VXHUEINZKAZZLG-JTQLQIEISA-N 1 2 284.306 3.031 20 30 CGEDLO CC#CCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000155025204 392538690 /nfs/dbraw/zinc/53/86/90/392538690.db2.gz RKSMZUJRJCKGDO-UHFFFAOYSA-N 1 2 294.383 3.321 20 30 CGEDLO COc1ccc(OC)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000173546729 392627238 /nfs/dbraw/zinc/62/72/38/392627238.db2.gz MLPDDRWCNUVNFT-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COc1ccc(OC)c(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000173546729 392627242 /nfs/dbraw/zinc/62/72/42/392627242.db2.gz MLPDDRWCNUVNFT-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000186330727 392782531 /nfs/dbraw/zinc/78/25/31/392782531.db2.gz IUHCFHSJFZRPKQ-GFCCVEGCSA-N 1 2 298.390 3.398 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000335728514 392810910 /nfs/dbraw/zinc/81/09/10/392810910.db2.gz DACMTCCDDXHMPB-DZGCQCFKSA-N 1 2 266.348 3.367 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000378364822 392896289 /nfs/dbraw/zinc/89/62/89/392896289.db2.gz SANQKQWVMFTENV-CQSZACIVSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000378364822 392896296 /nfs/dbraw/zinc/89/62/96/392896296.db2.gz SANQKQWVMFTENV-CQSZACIVSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338383241 392913817 /nfs/dbraw/zinc/91/38/17/392913817.db2.gz PIJGTJLGRNTMRU-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338383241 392913828 /nfs/dbraw/zinc/91/38/28/392913828.db2.gz PIJGTJLGRNTMRU-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Cl)cc1 ZINC000491673089 542718176 /nfs/dbraw/zinc/71/81/76/542718176.db2.gz SXKXFOACPRAPOW-MRXNPFEDSA-N 1 2 297.789 3.472 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000339086996 392946978 /nfs/dbraw/zinc/94/69/78/392946978.db2.gz RRBIKNYGSWIJTA-OBJOEFQTSA-N 1 2 282.347 3.079 20 30 CGEDLO CCn1ccnc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195514791 392969490 /nfs/dbraw/zinc/96/94/90/392969490.db2.gz XVGKQKCCQBRAOF-CQSZACIVSA-N 1 2 282.391 3.358 20 30 CGEDLO CCn1ccnc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195514791 392969493 /nfs/dbraw/zinc/96/94/93/392969493.db2.gz XVGKQKCCQBRAOF-CQSZACIVSA-N 1 2 282.391 3.358 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000342856093 393010233 /nfs/dbraw/zinc/01/02/33/393010233.db2.gz BYYWTXLGUSLNBY-LSDHHAIUSA-N 1 2 284.403 3.027 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000232808256 393027208 /nfs/dbraw/zinc/02/72/08/393027208.db2.gz XQCYUIIQEZECKX-UHFFFAOYSA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000348708901 393128793 /nfs/dbraw/zinc/12/87/93/393128793.db2.gz AIFXDOPQZNMQTC-UHFFFAOYSA-N 1 2 275.302 3.135 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667029277 542838797 /nfs/dbraw/zinc/83/87/97/542838797.db2.gz WOJGZJQKVCEKJV-CYBMUJFWSA-N 1 2 298.390 3.421 20 30 CGEDLO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000453394144 394230731 /nfs/dbraw/zinc/23/07/31/394230731.db2.gz SCMRYDGPEMQLDU-NSHDSACASA-N 1 2 287.338 3.489 20 30 CGEDLO N#Cc1ccc(CNc2c[nH+]c3c(c2)CCCC3)o1 ZINC000335859944 397683305 /nfs/dbraw/zinc/68/33/05/397683305.db2.gz SFOHXLBNVQWYHU-UHFFFAOYSA-N 1 2 253.305 3.037 20 30 CGEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000678050083 543479435 /nfs/dbraw/zinc/47/94/35/543479435.db2.gz UZCXXMXEAUVUNE-CQSZACIVSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000678050083 543479437 /nfs/dbraw/zinc/47/94/37/543479437.db2.gz UZCXXMXEAUVUNE-CQSZACIVSA-N 1 2 286.202 3.289 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000075969232 287030468 /nfs/dbraw/zinc/03/04/68/287030468.db2.gz PGRIWRXQYHZYRB-UHFFFAOYSA-N 1 2 286.272 3.472 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000011199495 170416344 /nfs/dbraw/zinc/41/63/44/170416344.db2.gz ZOHSZKIHQNLODR-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000011199495 170416345 /nfs/dbraw/zinc/41/63/45/170416345.db2.gz ZOHSZKIHQNLODR-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000127936490 287299533 /nfs/dbraw/zinc/29/95/33/287299533.db2.gz PGWCRNVZDUNGJK-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000127936490 287299534 /nfs/dbraw/zinc/29/95/34/287299534.db2.gz PGWCRNVZDUNGJK-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425067 543710261 /nfs/dbraw/zinc/71/02/61/543710261.db2.gz OCPZGTSFSIRLQE-NEPJUHHUSA-N 1 2 287.338 3.328 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ncccc1O ZINC000685411307 544065978 /nfs/dbraw/zinc/06/59/78/544065978.db2.gz GCVJDECHSDZGID-UHFFFAOYSA-N 1 2 272.323 3.115 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ncccc1O ZINC000685411307 544065980 /nfs/dbraw/zinc/06/59/80/544065980.db2.gz GCVJDECHSDZGID-UHFFFAOYSA-N 1 2 272.323 3.115 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000349979454 226903472 /nfs/dbraw/zinc/90/34/72/226903472.db2.gz XASFORYQDORCHG-LLVKDONJSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000349979454 226903476 /nfs/dbraw/zinc/90/34/76/226903476.db2.gz XASFORYQDORCHG-LLVKDONJSA-N 1 2 273.336 3.027 20 30 CGEDLO CCOc1ccccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352834937 227309840 /nfs/dbraw/zinc/30/98/40/227309840.db2.gz MKZSFQWQTQDBMK-NSHDSACASA-N 1 2 287.388 3.264 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664986501 419034626 /nfs/dbraw/zinc/03/46/26/419034626.db2.gz ZAVXRBXVVBQUMO-LBPRGKRZSA-N 1 2 257.337 3.434 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2cccs2)nn1 ZINC000653497530 419038234 /nfs/dbraw/zinc/03/82/34/419038234.db2.gz JFZKWMKFSSKAQR-LBPRGKRZSA-N 1 2 276.409 3.109 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2cccs2)nn1 ZINC000653497530 419038238 /nfs/dbraw/zinc/03/82/38/419038238.db2.gz JFZKWMKFSSKAQR-LBPRGKRZSA-N 1 2 276.409 3.109 20 30 CGEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)nn1 ZINC000653564819 419049543 /nfs/dbraw/zinc/04/95/43/419049543.db2.gz NFMFMGYDYRRDJM-PBHICJAKSA-N 1 2 282.391 3.047 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)nn1 ZINC000653564819 419049548 /nfs/dbraw/zinc/04/95/48/419049548.db2.gz NFMFMGYDYRRDJM-PBHICJAKSA-N 1 2 282.391 3.047 20 30 CGEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2)o1)[C@@H](C)COC ZINC000661246186 419244429 /nfs/dbraw/zinc/24/44/29/419244429.db2.gz GBAUVQCKRKUTLR-AWEZNQCLSA-N 1 2 286.375 3.365 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2)o1)[C@@H](C)COC ZINC000661246186 419244432 /nfs/dbraw/zinc/24/44/32/419244432.db2.gz GBAUVQCKRKUTLR-AWEZNQCLSA-N 1 2 286.375 3.365 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000331431840 228100101 /nfs/dbraw/zinc/10/01/01/228100101.db2.gz UEAAVVFFJARLID-PWSUYJOCSA-N 1 2 273.361 3.185 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000353546853 228118094 /nfs/dbraw/zinc/11/80/94/228118094.db2.gz WYXJGYDKWHHTPU-MRXNPFEDSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000353546853 228118096 /nfs/dbraw/zinc/11/80/96/228118096.db2.gz WYXJGYDKWHHTPU-MRXNPFEDSA-N 1 2 296.374 3.171 20 30 CGEDLO C=CCCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000298311373 260149992 /nfs/dbraw/zinc/14/99/92/260149992.db2.gz NPBIZHJTLOSBGX-HNNXBMFYSA-N 1 2 298.390 3.107 20 30 CGEDLO COc1ccc(CC[N@H+](CC#N)C2CCCC2)cc1 ZINC000088218804 260229970 /nfs/dbraw/zinc/22/99/70/260229970.db2.gz RXJQYGCRVFDRNR-UHFFFAOYSA-N 1 2 258.365 3.006 20 30 CGEDLO COc1ccc(CC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000088218804 260229971 /nfs/dbraw/zinc/22/99/71/260229971.db2.gz RXJQYGCRVFDRNR-UHFFFAOYSA-N 1 2 258.365 3.006 20 30 CGEDLO Cc1ncsc1CNc1[nH+]cccc1OCCCC#N ZINC000162253860 261274529 /nfs/dbraw/zinc/27/45/29/261274529.db2.gz CROIIGWZSFXXHL-UHFFFAOYSA-N 1 2 288.376 3.141 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(F)c(F)c1)CC1CC1 ZINC000174692790 261580579 /nfs/dbraw/zinc/58/05/79/261580579.db2.gz MLXFPQCEKLAFOV-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(F)c(F)c1)CC1CC1 ZINC000174692790 261580581 /nfs/dbraw/zinc/58/05/81/261580581.db2.gz MLXFPQCEKLAFOV-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(CC)o1)Cc1ccccc1 ZINC000525782259 262229349 /nfs/dbraw/zinc/22/93/49/262229349.db2.gz YGOUTKGBOSTJLW-UHFFFAOYSA-N 1 2 256.349 3.425 20 30 CGEDLO C=CC[N@H+](Cc1ncc(CC)o1)Cc1ccccc1 ZINC000525782259 262229350 /nfs/dbraw/zinc/22/93/50/262229350.db2.gz YGOUTKGBOSTJLW-UHFFFAOYSA-N 1 2 256.349 3.425 20 30 CGEDLO CCC[C@@](C)([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411277703 262686266 /nfs/dbraw/zinc/68/62/66/262686266.db2.gz OTSLSWVOFDVAFW-OAHLLOKOSA-N 1 2 280.412 3.172 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000270611930 262989911 /nfs/dbraw/zinc/98/99/11/262989911.db2.gz OOXGKPIFLDIKIW-XVKBUMFYSA-N 1 2 291.391 3.413 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000272502611 263005568 /nfs/dbraw/zinc/00/55/68/263005568.db2.gz HGHANRZFTPIEAA-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO CC(C)[N@@H+]1CC[C@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279335662 263054882 /nfs/dbraw/zinc/05/48/82/263054882.db2.gz UKUJNAUWTYKAMN-GJZGRUSLSA-N 1 2 295.789 3.116 20 30 CGEDLO CC(C)[N@H+]1CC[C@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279335662 263054883 /nfs/dbraw/zinc/05/48/83/263054883.db2.gz UKUJNAUWTYKAMN-GJZGRUSLSA-N 1 2 295.789 3.116 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1cc(OCC)ccc1O ZINC000281721703 263071449 /nfs/dbraw/zinc/07/14/49/263071449.db2.gz IHGWOLPKMHUVMW-PQZIMZDASA-N 1 2 289.375 3.191 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000292348025 263131231 /nfs/dbraw/zinc/13/12/31/263131231.db2.gz XINLXQWWNSVJDT-CYBMUJFWSA-N 1 2 273.336 3.366 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000292348025 263131232 /nfs/dbraw/zinc/13/12/32/263131232.db2.gz XINLXQWWNSVJDT-CYBMUJFWSA-N 1 2 273.336 3.366 20 30 CGEDLO N#CCC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000298026649 263214332 /nfs/dbraw/zinc/21/43/32/263214332.db2.gz BDWAANHYPDZIMO-UHFFFAOYSA-N 1 2 255.148 3.486 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000295467043 263177806 /nfs/dbraw/zinc/17/78/06/263177806.db2.gz WHLKFFNPLPYITD-GFCCVEGCSA-N 1 2 287.388 3.417 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000295467043 263177808 /nfs/dbraw/zinc/17/78/08/263177808.db2.gz WHLKFFNPLPYITD-GFCCVEGCSA-N 1 2 287.388 3.417 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000299178165 263233676 /nfs/dbraw/zinc/23/36/76/263233676.db2.gz ZMPSDUUTYODWTF-NSHDSACASA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000299178165 263233678 /nfs/dbraw/zinc/23/36/78/263233678.db2.gz ZMPSDUUTYODWTF-NSHDSACASA-N 1 2 286.297 3.219 20 30 CGEDLO CCCCCCCCCNC(=O)CCn1cc[nH+]c1 ZINC000299540128 263246171 /nfs/dbraw/zinc/24/61/71/263246171.db2.gz ATDJGPGTOQORCK-UHFFFAOYSA-N 1 2 265.401 3.140 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000342184856 263395114 /nfs/dbraw/zinc/39/51/14/263395114.db2.gz JHVSQTQXNYLKOM-CYBMUJFWSA-N 1 2 269.348 3.413 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000330871440 264059597 /nfs/dbraw/zinc/05/95/97/264059597.db2.gz ZUVJUPZKTCWOSG-DZKIICNBSA-N 1 2 299.418 3.419 20 30 CGEDLO CCC(CC)[C@H](O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331347647 264205530 /nfs/dbraw/zinc/20/55/30/264205530.db2.gz WTKMGFLOWIFSOJ-CQSZACIVSA-N 1 2 293.411 3.130 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000132457202 264388549 /nfs/dbraw/zinc/38/85/49/264388549.db2.gz ZCIQQKAFMUOIKS-AWEZNQCLSA-N 1 2 269.335 3.081 20 30 CGEDLO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000132457202 264388551 /nfs/dbraw/zinc/38/85/51/264388551.db2.gz ZCIQQKAFMUOIKS-AWEZNQCLSA-N 1 2 269.335 3.081 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1noc(CC)n1)c1ccccc1 ZINC000180040045 264394773 /nfs/dbraw/zinc/39/47/73/264394773.db2.gz ZHONKEVVBUFQAJ-CQSZACIVSA-N 1 2 271.364 3.429 20 30 CGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C#N)CC1 ZINC000357646471 266340694 /nfs/dbraw/zinc/34/06/94/266340694.db2.gz GWOWNCDAFHSNSO-LBPRGKRZSA-N 1 2 282.347 3.033 20 30 CGEDLO COc1ccc2nc(C[NH2+]CC3(C#N)CCC3)sc2c1 ZINC000418144717 267365428 /nfs/dbraw/zinc/36/54/28/267365428.db2.gz UYUYUFZPVXNMKS-UHFFFAOYSA-N 1 2 287.388 3.088 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000271055002 278112743 /nfs/dbraw/zinc/11/27/43/278112743.db2.gz YRJBXKUMTQXSEC-SNVBAGLBSA-N 1 2 258.346 3.332 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000271055002 278112744 /nfs/dbraw/zinc/11/27/44/278112744.db2.gz YRJBXKUMTQXSEC-SNVBAGLBSA-N 1 2 258.346 3.332 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1c[nH+]cn1C(C)C ZINC000090208995 278781742 /nfs/dbraw/zinc/78/17/42/278781742.db2.gz VZIDGYFEAAMVDU-UHFFFAOYSA-N 1 2 254.337 3.256 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439443049 279042513 /nfs/dbraw/zinc/04/25/13/279042513.db2.gz STSFMQYTMAEYOV-OAHLLOKOSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439443049 279042517 /nfs/dbraw/zinc/04/25/17/279042517.db2.gz STSFMQYTMAEYOV-OAHLLOKOSA-N 1 2 292.810 3.459 20 30 CGEDLO CC[C@H]1CCCCN1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000346322268 288189703 /nfs/dbraw/zinc/18/97/03/288189703.db2.gz OCKWFPPHVSTNAS-HNNXBMFYSA-N 1 2 293.455 3.039 20 30 CGEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000346322268 288189707 /nfs/dbraw/zinc/18/97/07/288189707.db2.gz OCKWFPPHVSTNAS-HNNXBMFYSA-N 1 2 293.455 3.039 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191896182 280133808 /nfs/dbraw/zinc/13/38/08/280133808.db2.gz INARLUSTGKEVSE-LBPRGKRZSA-N 1 2 269.323 3.076 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191896182 280133811 /nfs/dbraw/zinc/13/38/11/280133811.db2.gz INARLUSTGKEVSE-LBPRGKRZSA-N 1 2 269.323 3.076 20 30 CGEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009422 288246319 /nfs/dbraw/zinc/24/63/19/288246319.db2.gz SOICUUDCBHFPEX-ZWNOBZJWSA-N 1 2 293.317 3.112 20 30 CGEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009422 288246321 /nfs/dbraw/zinc/24/63/21/288246321.db2.gz SOICUUDCBHFPEX-ZWNOBZJWSA-N 1 2 293.317 3.112 20 30 CGEDLO Cc1cc(C)c(CNc2ncc3c(c2C#N)CCC3)c[nH+]1 ZINC000563019585 289752483 /nfs/dbraw/zinc/75/24/83/289752483.db2.gz IXESUJWAIFZRTE-UHFFFAOYSA-N 1 2 278.359 3.066 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000337502528 327955901 /nfs/dbraw/zinc/95/59/01/327955901.db2.gz DYDIGOGHLWOSRD-HNNXBMFYSA-N 1 2 295.386 3.203 20 30 CGEDLO C=CCN(CCc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563221377 327980364 /nfs/dbraw/zinc/98/03/64/327980364.db2.gz ACCBIJLLFBRZCZ-MRXNPFEDSA-N 1 2 297.402 3.092 20 30 CGEDLO C=C(Br)C[NH2+][C@@](C)(CC)c1nccs1 ZINC000125470964 327998145 /nfs/dbraw/zinc/99/81/45/327998145.db2.gz BQZOLTMGQZNYAS-JTQLQIEISA-N 1 2 275.215 3.267 20 30 CGEDLO CC1(C)CCC[N@H+](CC2Cc3ccccc3C2)[C@@H]1C#N ZINC000571251793 328094538 /nfs/dbraw/zinc/09/45/38/328094538.db2.gz PHGRDEQELFNZFI-QGZVFWFLSA-N 1 2 268.404 3.416 20 30 CGEDLO CC1(C)CCC[N@@H+](CC2Cc3ccccc3C2)[C@@H]1C#N ZINC000571251793 328094540 /nfs/dbraw/zinc/09/45/40/328094540.db2.gz PHGRDEQELFNZFI-QGZVFWFLSA-N 1 2 268.404 3.416 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CN(CCC#N)Cc1ccco1 ZINC000160941513 328096103 /nfs/dbraw/zinc/09/61/03/328096103.db2.gz OMAQNFISGZPDGN-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc[nH+]c(C)n1 ZINC000413574729 328149651 /nfs/dbraw/zinc/14/96/51/328149651.db2.gz KOLAIDJHAJJMCN-OAHLLOKOSA-N 1 2 253.349 3.384 20 30 CGEDLO CC#CCC[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000185033074 329264931 /nfs/dbraw/zinc/26/49/31/329264931.db2.gz KOJNQQCGWPIIKV-GFCCVEGCSA-N 1 2 266.410 3.086 20 30 CGEDLO CC#CCC[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000185033074 329264933 /nfs/dbraw/zinc/26/49/33/329264933.db2.gz KOJNQQCGWPIIKV-GFCCVEGCSA-N 1 2 266.410 3.086 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000566300636 322114450 /nfs/dbraw/zinc/11/44/50/322114450.db2.gz HRUIKIPQXMNNFU-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000566300636 322114452 /nfs/dbraw/zinc/11/44/52/322114452.db2.gz HRUIKIPQXMNNFU-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(F)cc2F)c1 ZINC000546633952 328391209 /nfs/dbraw/zinc/39/12/09/328391209.db2.gz AHBPTVIQNBGMPF-UHFFFAOYSA-N 1 2 259.259 3.038 20 30 CGEDLO COc1cc2c(NCC(C)(C)C#N)cc[nH+]c2cc1F ZINC000340905341 328401706 /nfs/dbraw/zinc/40/17/06/328401706.db2.gz DHEAGQSYFBMXFO-UHFFFAOYSA-N 1 2 273.311 3.344 20 30 CGEDLO C=CCOc1ccc(OCc2c[nH+]ccc2OC)cc1 ZINC000341380586 328407528 /nfs/dbraw/zinc/40/75/28/328407528.db2.gz DPXRGXKVMMKVQP-UHFFFAOYSA-N 1 2 271.316 3.234 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000559459795 327246393 /nfs/dbraw/zinc/24/63/93/327246393.db2.gz ZSTANAZXHYRTIQ-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000559459795 327246394 /nfs/dbraw/zinc/24/63/94/327246394.db2.gz ZSTANAZXHYRTIQ-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000555761644 327249819 /nfs/dbraw/zinc/24/98/19/327249819.db2.gz CYZWGVHGJTYDQQ-UHFFFAOYSA-N 1 2 293.164 3.045 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000555761644 327249821 /nfs/dbraw/zinc/24/98/21/327249821.db2.gz CYZWGVHGJTYDQQ-UHFFFAOYSA-N 1 2 293.164 3.045 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(OC)n1)Cc1ccccc1F ZINC000171859726 329080665 /nfs/dbraw/zinc/08/06/65/329080665.db2.gz WCJDLYUQTJIKCY-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@H+](Cc1cccc(OC)n1)Cc1ccccc1F ZINC000171859726 329080666 /nfs/dbraw/zinc/08/06/66/329080666.db2.gz WCJDLYUQTJIKCY-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)C1CCCCC1 ZINC000173542617 329148691 /nfs/dbraw/zinc/14/86/91/329148691.db2.gz TXUOXEVEUGLIIB-UHFFFAOYSA-N 1 2 293.455 3.039 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)C1CCCCC1 ZINC000173542617 329148692 /nfs/dbraw/zinc/14/86/92/329148692.db2.gz TXUOXEVEUGLIIB-UHFFFAOYSA-N 1 2 293.455 3.039 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000173539861 329148754 /nfs/dbraw/zinc/14/87/54/329148754.db2.gz CCOXTUISGINOSF-HOTGVXAUSA-N 1 2 293.455 3.038 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000173539861 329148755 /nfs/dbraw/zinc/14/87/55/329148755.db2.gz CCOXTUISGINOSF-HOTGVXAUSA-N 1 2 293.455 3.038 20 30 CGEDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000173548209 329148935 /nfs/dbraw/zinc/14/89/35/329148935.db2.gz YALUTJLYXCTIEC-MRXNPFEDSA-N 1 2 293.455 3.039 20 30 CGEDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000173548209 329148937 /nfs/dbraw/zinc/14/89/37/329148937.db2.gz YALUTJLYXCTIEC-MRXNPFEDSA-N 1 2 293.455 3.039 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000174004995 329156748 /nfs/dbraw/zinc/15/67/48/329156748.db2.gz LKCJLVLJRHOUHW-NSHDSACASA-N 1 2 254.399 3.249 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000174004995 329156749 /nfs/dbraw/zinc/15/67/49/329156749.db2.gz LKCJLVLJRHOUHW-NSHDSACASA-N 1 2 254.399 3.249 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185055126 329265331 /nfs/dbraw/zinc/26/53/31/329265331.db2.gz CZSVEPIPQZHXHM-OAHLLOKOSA-N 1 2 297.402 3.150 20 30 CGEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000583087657 329308748 /nfs/dbraw/zinc/30/87/48/329308748.db2.gz ZLZWNINSOLIAAN-CQSZACIVSA-N 1 2 269.348 3.053 20 30 CGEDLO C=CCCOCCNc1cc[nH+]c2c(OC)cccc12 ZINC000189556006 329382597 /nfs/dbraw/zinc/38/25/97/329382597.db2.gz OZSNGHNVRMQPSH-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO C=CCC(C)(C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000420510345 329772620 /nfs/dbraw/zinc/77/26/20/329772620.db2.gz JDEWXXJFEUEYFV-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000078316622 329953572 /nfs/dbraw/zinc/95/35/72/329953572.db2.gz URAHIANWKMMODQ-UHFFFAOYSA-N 1 2 268.360 3.333 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)c(F)c1 ZINC000274786689 330107420 /nfs/dbraw/zinc/10/74/20/330107420.db2.gz LSLIUILZASLPRI-MRXNPFEDSA-N 1 2 293.313 3.457 20 30 CGEDLO N#CC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000057907857 330381002 /nfs/dbraw/zinc/38/10/02/330381002.db2.gz COASTZLJIJOENK-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000121400728 330399869 /nfs/dbraw/zinc/39/98/69/330399869.db2.gz QZRVLGUBQMRRJY-UHFFFAOYSA-N 1 2 297.280 3.373 20 30 CGEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000121400728 330399870 /nfs/dbraw/zinc/39/98/70/330399870.db2.gz QZRVLGUBQMRRJY-UHFFFAOYSA-N 1 2 297.280 3.373 20 30 CGEDLO CCCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442840589 330786256 /nfs/dbraw/zinc/78/62/56/330786256.db2.gz LYGABFWYXQLFQM-MJBXVCDLSA-N 1 2 280.412 3.169 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000448802930 330884218 /nfs/dbraw/zinc/88/42/18/330884218.db2.gz AWWXXIRHDDPFGI-UHFFFAOYSA-N 1 2 283.375 3.452 20 30 CGEDLO COc1cccc2c1cc[nH+]c2N1CCC(F)(C#N)CC1 ZINC000450523919 330984906 /nfs/dbraw/zinc/98/49/06/330984906.db2.gz ALLAGGJALQATOG-UHFFFAOYSA-N 1 2 285.322 3.075 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]ccc2c(OC)cccc21 ZINC000450804371 331000415 /nfs/dbraw/zinc/00/04/15/331000415.db2.gz MWWZWSVFMVKMFO-CABCVRRESA-N 1 2 284.359 3.389 20 30 CGEDLO N#C[C@@H]1[N@H+](CC23CCC(CC2)C3)CCC[C@]12CCCCO2 ZINC000450874686 331004169 /nfs/dbraw/zinc/00/41/69/331004169.db2.gz DMRQDLJEUKSERC-JYSRZZCRSA-N 1 2 288.435 3.494 20 30 CGEDLO N#C[C@@H]1[N@@H+](CC23CCC(CC2)C3)CCC[C@]12CCCCO2 ZINC000450874686 331004170 /nfs/dbraw/zinc/00/41/70/331004170.db2.gz DMRQDLJEUKSERC-JYSRZZCRSA-N 1 2 288.435 3.494 20 30 CGEDLO C=C[C@H](CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456442417 331192745 /nfs/dbraw/zinc/19/27/45/331192745.db2.gz ZQDDJNMFQHFCCO-LZWOXQAQSA-N 1 2 295.386 3.365 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456852893 331207552 /nfs/dbraw/zinc/20/75/52/331207552.db2.gz XOGSXYKZAMSKEE-UHFFFAOYSA-N 1 2 258.365 3.083 20 30 CGEDLO C=C(C)CCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000458995559 331265352 /nfs/dbraw/zinc/26/53/52/331265352.db2.gz HJFJLULDSURVTH-AWEZNQCLSA-N 1 2 290.411 3.106 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(O)c1Br)C1CC1 ZINC000459488832 331284520 /nfs/dbraw/zinc/28/45/20/331284520.db2.gz SQWQQUNEMGCOOD-UHFFFAOYSA-N 1 2 282.181 3.305 20 30 CGEDLO C=CC[N@H+](Cc1cccc(O)c1Br)C1CC1 ZINC000459488832 331284521 /nfs/dbraw/zinc/28/45/21/331284521.db2.gz SQWQQUNEMGCOOD-UHFFFAOYSA-N 1 2 282.181 3.305 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1noc(-c2ccc(OC)cc2)n1 ZINC000489441480 332052856 /nfs/dbraw/zinc/05/28/56/332052856.db2.gz DWZVSDCVQGDFST-AWEZNQCLSA-N 1 2 299.374 3.286 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1noc(-c2ccc(OC)cc2)n1 ZINC000489441480 332052857 /nfs/dbraw/zinc/05/28/57/332052857.db2.gz DWZVSDCVQGDFST-AWEZNQCLSA-N 1 2 299.374 3.286 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000489505441 332057377 /nfs/dbraw/zinc/05/73/77/332057377.db2.gz CUNQNLVYXZDPLW-LBPRGKRZSA-N 1 2 294.326 3.283 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000489505441 332057378 /nfs/dbraw/zinc/05/73/78/332057378.db2.gz CUNQNLVYXZDPLW-LBPRGKRZSA-N 1 2 294.326 3.283 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000489512029 332057675 /nfs/dbraw/zinc/05/76/75/332057675.db2.gz NSYFSLIYMQTGPI-DGCLKSJQSA-N 1 2 266.410 3.391 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000489512029 332057676 /nfs/dbraw/zinc/05/76/76/332057676.db2.gz NSYFSLIYMQTGPI-DGCLKSJQSA-N 1 2 266.410 3.391 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc(OCC)n1)c1ccc(F)cc1 ZINC000491317018 332189293 /nfs/dbraw/zinc/18/92/93/332189293.db2.gz ZFMRVJNYXVUHPX-INIZCTEOSA-N 1 2 284.334 3.084 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(F)cc1 ZINC000491348566 332194237 /nfs/dbraw/zinc/19/42/37/332194237.db2.gz DHGHNOLQKAYHAX-MRXNPFEDSA-N 1 2 287.309 3.438 20 30 CGEDLO COC(=O)Nc1ccc(CC[NH+]=Cc2ccccc2O)cc1 ZINC000491405073 332205764 /nfs/dbraw/zinc/20/57/64/332205764.db2.gz KQECCPSMSYIGFT-LDADJPATSA-N 1 2 298.342 3.232 20 30 CGEDLO C#CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)C1CCCCC1 ZINC000491417417 332207991 /nfs/dbraw/zinc/20/79/91/332207991.db2.gz NGQCAAVQGLBSCX-UHFFFAOYSA-N 1 2 299.418 3.176 20 30 CGEDLO C#CC[N@H+](Cc1nncn1-c1ccccc1)C1CCCCC1 ZINC000491438239 332210974 /nfs/dbraw/zinc/21/09/74/332210974.db2.gz AUMPQIKWLNTWNV-UHFFFAOYSA-N 1 2 294.402 3.035 20 30 CGEDLO C#CC[N@@H+](Cc1nncn1-c1ccccc1)C1CCCCC1 ZINC000491438239 332210975 /nfs/dbraw/zinc/21/09/75/332210975.db2.gz AUMPQIKWLNTWNV-UHFFFAOYSA-N 1 2 294.402 3.035 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc(F)cc1 ZINC000491543426 332233902 /nfs/dbraw/zinc/23/39/02/332233902.db2.gz GRRQCJYYTWWJCW-MRXNPFEDSA-N 1 2 297.377 3.377 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000491691480 332288134 /nfs/dbraw/zinc/28/81/34/332288134.db2.gz PAROOOMSHJCYKS-AWEZNQCLSA-N 1 2 254.333 3.179 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ncc(C)o1 ZINC000491691480 332288135 /nfs/dbraw/zinc/28/81/35/332288135.db2.gz PAROOOMSHJCYKS-AWEZNQCLSA-N 1 2 254.333 3.179 20 30 CGEDLO C#C[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(F)cc1 ZINC000491698081 332293159 /nfs/dbraw/zinc/29/31/59/332293159.db2.gz AVMVGZHQCIJIDD-ZDUSSCGKSA-N 1 2 260.337 3.055 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000491708193 332300774 /nfs/dbraw/zinc/30/07/74/332300774.db2.gz MXIQPTYZSUCZGU-HNNXBMFYSA-N 1 2 270.332 3.223 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000491709727 332301991 /nfs/dbraw/zinc/30/19/91/332301991.db2.gz XALLEBTXFATJHZ-ZDUSSCGKSA-N 1 2 284.359 3.194 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000491709727 332301992 /nfs/dbraw/zinc/30/19/92/332301992.db2.gz XALLEBTXFATJHZ-ZDUSSCGKSA-N 1 2 284.359 3.194 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000513954806 333054402 /nfs/dbraw/zinc/05/44/02/333054402.db2.gz NGWJDDSOYUAKGP-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000513954806 333054404 /nfs/dbraw/zinc/05/44/04/333054404.db2.gz NGWJDDSOYUAKGP-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000545219176 333970328 /nfs/dbraw/zinc/97/03/28/333970328.db2.gz WMPCKOMQKAIZJF-UHFFFAOYSA-N 1 2 267.332 3.209 20 30 CGEDLO N#CCC[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000576272814 335180334 /nfs/dbraw/zinc/18/03/34/335180334.db2.gz LIWKWALDNSKINZ-JTQLQIEISA-N 1 2 283.194 3.099 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)C1 ZINC000549553007 334197853 /nfs/dbraw/zinc/19/78/53/334197853.db2.gz QQLLEEHMANNABK-PVXIVEMSSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)C1 ZINC000549553007 334197854 /nfs/dbraw/zinc/19/78/54/334197854.db2.gz QQLLEEHMANNABK-PVXIVEMSSA-N 1 2 292.329 3.030 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]ccc(C)c1Cl ZINC000553557110 334391247 /nfs/dbraw/zinc/39/12/47/334391247.db2.gz UPPLDURLNSPNAJ-YPMHNXCESA-N 1 2 266.772 3.437 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(Br)c1F ZINC000295375600 334903112 /nfs/dbraw/zinc/90/31/12/334903112.db2.gz JYAVOXTXIITKNQ-SNVBAGLBSA-N 1 2 285.160 3.370 20 30 CGEDLO COc1cccc2c1cc[nH+]c2N1CCC(CC#N)CC1 ZINC000576345323 335192167 /nfs/dbraw/zinc/19/21/67/335192167.db2.gz IXOCPVUJZKUWRT-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000177695701 335379459 /nfs/dbraw/zinc/37/94/59/335379459.db2.gz YAMLCXLOIKSETC-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C=C[C@@H](CC(=O)NC(C)(C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000578447912 335636014 /nfs/dbraw/zinc/63/60/14/335636014.db2.gz AOPCLUMRYREJCA-ZDUSSCGKSA-N 1 2 283.375 3.121 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1c(F)cccc1Cl ZINC000195002680 336042363 /nfs/dbraw/zinc/04/23/63/336042363.db2.gz HWDAFOFIQDPXIG-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1c(F)cccc1Cl ZINC000195002680 336042364 /nfs/dbraw/zinc/04/23/64/336042364.db2.gz HWDAFOFIQDPXIG-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO COC(=O)c1ccoc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541332 534299763 /nfs/dbraw/zinc/29/97/63/534299763.db2.gz WPKDCQALCXVKBG-LBPRGKRZSA-N 1 2 298.342 3.131 20 30 CGEDLO COC(=O)c1ccoc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541332 534299765 /nfs/dbraw/zinc/29/97/65/534299765.db2.gz WPKDCQALCXVKBG-LBPRGKRZSA-N 1 2 298.342 3.131 20 30 CGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(C#N)o1)CC3 ZINC000367230344 534366037 /nfs/dbraw/zinc/36/60/37/534366037.db2.gz ZIVDRNMXFQEIGM-UHFFFAOYSA-N 1 2 291.354 3.499 20 30 CGEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(C#N)o1)CC3 ZINC000367230344 534366049 /nfs/dbraw/zinc/36/60/49/534366049.db2.gz ZIVDRNMXFQEIGM-UHFFFAOYSA-N 1 2 291.354 3.499 20 30 CGEDLO Cc1ccccc1C[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356069448 534812678 /nfs/dbraw/zinc/81/26/78/534812678.db2.gz WCEKUQNNSNXMNY-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO Cc1ccccc1C[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356069448 534812686 /nfs/dbraw/zinc/81/26/86/534812686.db2.gz WCEKUQNNSNXMNY-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000329266193 526682662 /nfs/dbraw/zinc/68/26/62/526682662.db2.gz FNSJQBIPSYYTPW-IUODEOHRSA-N 1 2 293.411 3.140 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000295992316 526716423 /nfs/dbraw/zinc/71/64/23/526716423.db2.gz DVAKCEYPGKZEHI-NSHDSACASA-N 1 2 272.348 3.389 20 30 CGEDLO CCSCc1cc[nH+]c(NCc2cc(C#N)n(C)c2)c1 ZINC000191547870 535696110 /nfs/dbraw/zinc/69/61/10/535696110.db2.gz MTFCXFKOULETLI-UHFFFAOYSA-N 1 2 286.404 3.157 20 30 CGEDLO C=CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000728914783 571847422 /nfs/dbraw/zinc/84/74/22/571847422.db2.gz QEHSQJYXVJNTCA-UHFFFAOYSA-N 1 2 252.289 3.130 20 30 CGEDLO C=CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000728914783 571847426 /nfs/dbraw/zinc/84/74/26/571847426.db2.gz QEHSQJYXVJNTCA-UHFFFAOYSA-N 1 2 252.289 3.130 20 30 CGEDLO CC1(c2ccccc2)CC(/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000729937502 571937907 /nfs/dbraw/zinc/93/79/07/571937907.db2.gz ULPAIPKCYHOPRQ-ODLFYWEKSA-N 1 2 297.354 3.343 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cc1O ZINC000730146178 571950594 /nfs/dbraw/zinc/95/05/94/571950594.db2.gz JHHPKAPGULWMBZ-UHFFFAOYSA-N 1 2 295.317 3.338 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(C#N)c1 ZINC000730147788 571950865 /nfs/dbraw/zinc/95/08/65/571950865.db2.gz KAEFXXYTUPMAFJ-UHFFFAOYSA-N 1 2 286.338 3.364 20 30 CGEDLO Cc1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000730147722 571951061 /nfs/dbraw/zinc/95/10/61/571951061.db2.gz IYTNPLTVWNVEGA-UHFFFAOYSA-N 1 2 267.357 3.473 20 30 CGEDLO Cc1ccc(C[C@@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)c(C)c1 ZINC000731155581 572398200 /nfs/dbraw/zinc/39/82/00/572398200.db2.gz LMMFAACFURBSHE-XTBHVRTMSA-N 1 2 299.370 3.470 20 30 CGEDLO O=C1c2c([nH]c3ccc(F)cc32)CC/C1=C/c1[nH]cc[nH+]1 ZINC000731156449 572398398 /nfs/dbraw/zinc/39/83/98/572398398.db2.gz FOPIKFCPBCEUSN-CLFYSBASSA-N 1 2 281.290 3.243 20 30 CGEDLO CC1(C)CCC(/[NH+]=C\c2ccc(O)c(O)c2O)CC1 ZINC000741466322 572413481 /nfs/dbraw/zinc/41/34/81/572413481.db2.gz MOPWGZVZNFOWRV-SXGWCWSVSA-N 1 2 263.337 3.191 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C\c2cccc(OC)c2O)c1 ZINC000732925598 572492406 /nfs/dbraw/zinc/49/24/06/572492406.db2.gz AJCBENJJQPFNJL-QXGSTRBFSA-N 1 2 299.370 3.460 20 30 CGEDLO C=C(Cl)CSCc1[nH+]ccn1CC(F)(F)F ZINC000742969732 572628010 /nfs/dbraw/zinc/62/80/10/572628010.db2.gz BOYITGPXEYKLOQ-UHFFFAOYSA-N 1 2 270.707 3.431 20 30 CGEDLO CC(C)CON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000749631020 573025931 /nfs/dbraw/zinc/02/59/31/573025931.db2.gz GIELMXPQWCMEEE-UHFFFAOYSA-N 1 2 289.423 3.381 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC2CCC(OC)CC2)c1 ZINC000749930802 573062450 /nfs/dbraw/zinc/06/24/50/573062450.db2.gz NHQFTVKBCRTNJG-BOPFTXTBSA-N 1 2 277.364 3.025 20 30 CGEDLO CCc1oc(C(=O)OC)cc1C[N@H+](CCC#N)CC(C)C ZINC000750048254 573077995 /nfs/dbraw/zinc/07/79/95/573077995.db2.gz XSVOPMKUYPTJFK-UHFFFAOYSA-N 1 2 292.379 3.000 20 30 CGEDLO CCc1oc(C(=O)OC)cc1C[N@@H+](CCC#N)CC(C)C ZINC000750048254 573077998 /nfs/dbraw/zinc/07/79/98/573077998.db2.gz XSVOPMKUYPTJFK-UHFFFAOYSA-N 1 2 292.379 3.000 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2sc(C)cc2C)C1 ZINC000950429712 613298019 /nfs/dbraw/zinc/29/80/19/613298019.db2.gz ZUBWNWLFUDDLCS-UHFFFAOYSA-N 1 2 292.448 3.087 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014503 613377758 /nfs/dbraw/zinc/37/77/58/613377758.db2.gz QKUZDVGMOKICMK-XHDPSFHLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014503 613377759 /nfs/dbraw/zinc/37/77/59/613377759.db2.gz QKUZDVGMOKICMK-XHDPSFHLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C2CCC(CCCC)CC2)CC1 ZINC000957560139 613707363 /nfs/dbraw/zinc/70/73/63/613707363.db2.gz WLFXUKQJCFKMFA-UHFFFAOYSA-N 1 2 292.467 3.313 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000890888496 617891334 /nfs/dbraw/zinc/89/13/34/617891334.db2.gz DKXOCRVBGAOENG-AWEZNQCLSA-N 1 2 281.359 3.117 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000890890034 617892225 /nfs/dbraw/zinc/89/22/25/617892225.db2.gz GTWOVASTTKLWFT-CQSZACIVSA-N 1 2 281.359 3.117 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)CCOC)c1cccc(C#N)c1O ZINC000926167013 618224114 /nfs/dbraw/zinc/22/41/14/618224114.db2.gz MGKOLCNAGSVLRB-HNNXBMFYSA-N 1 2 290.407 3.367 20 30 CGEDLO CC[N@@H+](Cc1cc(O)cc(Cl)c1)C[C@@H](C)C#N ZINC000891716654 618254312 /nfs/dbraw/zinc/25/43/12/618254312.db2.gz VOCWCTDKNGICBR-JTQLQIEISA-N 1 2 252.745 3.027 20 30 CGEDLO CC[N@H+](Cc1cc(O)cc(Cl)c1)C[C@@H](C)C#N ZINC000891716654 618254314 /nfs/dbraw/zinc/25/43/14/618254314.db2.gz VOCWCTDKNGICBR-JTQLQIEISA-N 1 2 252.745 3.027 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000934462347 618624136 /nfs/dbraw/zinc/62/41/36/618624136.db2.gz SYSCWHBUBIQNKE-JSGCOSHPSA-N 1 2 269.348 3.448 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000934462347 618624142 /nfs/dbraw/zinc/62/41/42/618624142.db2.gz SYSCWHBUBIQNKE-JSGCOSHPSA-N 1 2 269.348 3.448 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)o1 ZINC000255566617 618686766 /nfs/dbraw/zinc/68/67/66/618686766.db2.gz DAQLPDJVEFEKET-SREVYHEPSA-N 1 2 252.273 3.132 20 30 CGEDLO Cc1ccoc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000255838169 618796210 /nfs/dbraw/zinc/79/62/10/618796210.db2.gz NSCPSJJTNAKBIN-WAYWQWQTSA-N 1 2 266.300 3.440 20 30 CGEDLO COc1nccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1F ZINC000893193817 619024377 /nfs/dbraw/zinc/02/43/77/619024377.db2.gz AHGXERWKCGLJIS-OAHLLOKOSA-N 1 2 299.349 3.364 20 30 CGEDLO FC(F)(F)CCON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000777455223 619153763 /nfs/dbraw/zinc/15/37/63/619153763.db2.gz APNFFIIYBQXVGQ-UHFFFAOYSA-N 1 2 283.253 3.175 20 30 CGEDLO C=CC[N@H+](C/C=C/Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000063381251 619193301 /nfs/dbraw/zinc/19/33/01/619193301.db2.gz HJQZIWNNNYXBAB-QPJJXVBHSA-N 1 2 266.728 3.335 20 30 CGEDLO C=CC[N@@H+](C/C=C/Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000063381251 619193302 /nfs/dbraw/zinc/19/33/02/619193302.db2.gz HJQZIWNNNYXBAB-QPJJXVBHSA-N 1 2 266.728 3.335 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872268 619218701 /nfs/dbraw/zinc/21/87/01/619218701.db2.gz SBGIMZQMPZFVOW-ZWKOTPCHSA-N 1 2 291.354 3.423 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872268 619218703 /nfs/dbraw/zinc/21/87/03/619218703.db2.gz SBGIMZQMPZFVOW-ZWKOTPCHSA-N 1 2 291.354 3.423 20 30 CGEDLO C=CCC[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000893930248 619334601 /nfs/dbraw/zinc/33/46/01/619334601.db2.gz WOGXFBRRHFRYFW-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO C=CCC[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000893930248 619334603 /nfs/dbraw/zinc/33/46/03/619334603.db2.gz WOGXFBRRHFRYFW-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO N#Cc1cc(C[NH+]2CC(CC(F)(F)F)C2)cs1 ZINC000894828934 619645968 /nfs/dbraw/zinc/64/59/68/619645968.db2.gz UEUTWVRZKKUSHE-UHFFFAOYSA-N 1 2 260.284 3.004 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C(=O)OCC ZINC000895597102 619858090 /nfs/dbraw/zinc/85/80/90/619858090.db2.gz FLEFGWZAAPHAEH-DZGCQCFKSA-N 1 2 279.380 3.088 20 30 CGEDLO CCCc1ccc2[nH+]ccc(N3CCO[C@@](C)(C#N)C3)c2c1 ZINC000896860910 620078428 /nfs/dbraw/zinc/07/84/28/620078428.db2.gz WRWZZMADYXUUMD-SFHVURJKSA-N 1 2 295.386 3.306 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCOC3(CCC3)C2)c1O ZINC000840707490 620089662 /nfs/dbraw/zinc/08/96/62/620089662.db2.gz PFQJCSDBKCMFHF-FDIDITGRSA-N 1 2 289.375 3.169 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2(OC)CCC2)c1O ZINC000840707586 620090501 /nfs/dbraw/zinc/09/05/01/620090501.db2.gz WUIJMFUDYGDDGC-SFQUDFHCSA-N 1 2 277.364 3.169 20 30 CGEDLO Cc1cccnc1CCC/[NH+]=C/c1ccccc1O ZINC000840708636 620096333 /nfs/dbraw/zinc/09/63/33/620096333.db2.gz HWGPFKRDLULSOQ-SFQUDFHCSA-N 1 2 254.333 3.147 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000840709533 620103186 /nfs/dbraw/zinc/10/31/86/620103186.db2.gz NMOORJNGUCIYMF-RHZGAQASSA-N 1 2 291.391 3.271 20 30 CGEDLO C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc(C#N)c1O ZINC000927123124 620580577 /nfs/dbraw/zinc/58/05/77/620580577.db2.gz WKFCHINRGWSATA-GHJWDPDVSA-N 1 2 256.349 3.105 20 30 CGEDLO C=CC[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1 ZINC000898905648 620608063 /nfs/dbraw/zinc/60/80/63/620608063.db2.gz CSZSILZUUDGXSO-MRXNPFEDSA-N 1 2 297.402 3.094 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(Cl)cc2F)[C@@H]2CCCCN12 ZINC000901318840 620859369 /nfs/dbraw/zinc/85/93/69/620859369.db2.gz XLGHPEBKULZBBR-ZDUSSCGKSA-N 1 2 295.745 3.032 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1[nH]c(C)c(C)[nH+]1)CC2 ZINC000901477144 620891825 /nfs/dbraw/zinc/89/18/25/620891825.db2.gz MJNNAGMVPHUDLH-JYRVWZFOSA-N 1 2 282.343 3.248 20 30 CGEDLO CCc1cccc2c1OC/C(=C\c1c[nH+]cn1CC)C2=O ZINC000901507009 620905788 /nfs/dbraw/zinc/90/57/88/620905788.db2.gz RKKUFCPDIODKAX-MDWZMJQESA-N 1 2 282.343 3.124 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cccc2c1OCO2 ZINC000901517370 620924452 /nfs/dbraw/zinc/92/44/52/620924452.db2.gz IPCWQDCPYGEOIL-VOTSOKGWSA-N 1 2 284.315 3.089 20 30 CGEDLO COc1ccc2c(c1)C[C@@H](C)/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901578317 620945141 /nfs/dbraw/zinc/94/51/41/620945141.db2.gz KJGCDXBIVNNEJW-MQHRVFIMSA-N 1 2 296.370 3.494 20 30 CGEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2cc(C#N)ccn2)o1 ZINC000902817943 621454624 /nfs/dbraw/zinc/45/46/24/621454624.db2.gz GSMKDFWNGWGJCK-LRDDRELGSA-N 1 2 299.374 3.147 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1nc2ccccc2n1C ZINC000903108370 621581945 /nfs/dbraw/zinc/58/19/45/621581945.db2.gz AXLCNTMCJBCNPU-CYBMUJFWSA-N 1 2 282.391 3.308 20 30 CGEDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903323720 621677258 /nfs/dbraw/zinc/67/72/58/621677258.db2.gz COTNCTRZBVFBPR-ZBEGNZNMSA-N 1 2 296.349 3.289 20 30 CGEDLO CC(=NOCCOC(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000905469287 622079931 /nfs/dbraw/zinc/07/99/31/622079931.db2.gz FPDFHXANXBFYCH-UHFFFAOYSA-N 1 2 287.363 3.038 20 30 CGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000916244864 624129469 /nfs/dbraw/zinc/12/94/69/624129469.db2.gz CWWFXKMWFOGKQN-UHFFFAOYSA-N 1 2 298.346 3.497 20 30 CGEDLO C(=NNc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000917023016 624227936 /nfs/dbraw/zinc/22/79/36/624227936.db2.gz VLJDTEDLCMAYHB-UHFFFAOYSA-N 1 2 262.316 3.318 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)ccc2C)cc1 ZINC000917402087 624267316 /nfs/dbraw/zinc/26/73/16/624267316.db2.gz VZMQSVYMIRYDCP-UHFFFAOYSA-N 1 2 284.359 3.149 20 30 CGEDLO Cc1cc(C)c(CC/[NH+]=C\c2ccc(O)c(O)c2O)c(C)c1 ZINC000917557145 624288695 /nfs/dbraw/zinc/28/86/95/624288695.db2.gz YYVOTSSXRBYABU-GRSHGNNSSA-N 1 2 299.370 3.390 20 30 CGEDLO C#CCC1(NC(=O)NCc2c[nH+]c(C)cc2C)CCCCC1 ZINC000922783285 626045732 /nfs/dbraw/zinc/04/57/32/626045732.db2.gz NWLDHLUHVNPGHJ-UHFFFAOYSA-N 1 2 299.418 3.224 20 30 CGEDLO CC[C@H]([NH2+]C1CCSCC1)c1cccc(C#N)c1O ZINC000925361011 626061723 /nfs/dbraw/zinc/06/17/23/626061723.db2.gz COOYFEXTIRVSEH-AWEZNQCLSA-N 1 2 276.405 3.200 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1)C(=O)OC ZINC000839167421 626324715 /nfs/dbraw/zinc/32/47/15/626324715.db2.gz DFNDWYRUDOVSHP-DDBAPUKQSA-N 1 2 299.414 3.113 20 30 CGEDLO C#CC[C@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C(=O)OC ZINC000839170027 626324721 /nfs/dbraw/zinc/32/47/21/626324721.db2.gz WSQUOWKSHJDGKJ-HFCFLWKCSA-N 1 2 299.414 3.041 20 30 CGEDLO C=CCC(CC=C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000758449185 626844595 /nfs/dbraw/zinc/84/45/95/626844595.db2.gz OGRPCFYDHLPMSC-OAHLLOKOSA-N 1 2 289.423 3.182 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC(C)(C)CCOC)c(O)c1 ZINC000758815389 626860808 /nfs/dbraw/zinc/86/08/08/626860808.db2.gz KVJPMNJPLUNZKK-BOPFTXTBSA-N 1 2 279.380 3.273 20 30 CGEDLO O=C1c2c(Cl)cc(Cl)cc2OC/C1=C/c1[nH]cc[nH+]1 ZINC000758913937 626866110 /nfs/dbraw/zinc/86/61/10/626866110.db2.gz TWXLDPDSVSSZLB-CLTKARDFSA-N 1 2 295.125 3.375 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761763852 627058902 /nfs/dbraw/zinc/05/89/02/627058902.db2.gz ZFGGFAQOGUQQLS-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761763852 627058906 /nfs/dbraw/zinc/05/89/06/627058906.db2.gz ZFGGFAQOGUQQLS-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO O=C1c2cccc3c2[C@@H](CCC3)/C1=C/c1[nH]cc[nH+]1 ZINC000763290317 627149491 /nfs/dbraw/zinc/14/94/91/627149491.db2.gz PQUALJKNEOTACW-KWJWQAOWSA-N 1 2 250.301 3.110 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000765052278 627238591 /nfs/dbraw/zinc/23/85/91/627238591.db2.gz JCVCBEVTONVJRX-AWEZNQCLSA-N 1 2 296.208 3.092 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1Cc2ccc(Br)cc2C1 ZINC000765052278 627238592 /nfs/dbraw/zinc/23/85/92/627238592.db2.gz JCVCBEVTONVJRX-AWEZNQCLSA-N 1 2 296.208 3.092 20 30 CGEDLO C#CC[N@H+](Cc1[nH]nc2ccccc21)Cc1ccc(F)cc1 ZINC000769146436 627526317 /nfs/dbraw/zinc/52/63/17/627526317.db2.gz YSJTUYHTLKCJEN-UHFFFAOYSA-N 1 2 293.345 3.337 20 30 CGEDLO C#CC[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(F)cc1 ZINC000769146436 627526318 /nfs/dbraw/zinc/52/63/18/627526318.db2.gz YSJTUYHTLKCJEN-UHFFFAOYSA-N 1 2 293.345 3.337 20 30 CGEDLO COc1cccc2c1C/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769608416 627569225 /nfs/dbraw/zinc/56/92/25/627569225.db2.gz BLXNRVQFIANGEI-ZRDIBKRKSA-N 1 2 290.322 3.165 20 30 CGEDLO O=C1c2cccc(O)c2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000769611280 627569414 /nfs/dbraw/zinc/56/94/14/627569414.db2.gz WYMFLINAHVYXEM-VAWYXSNFSA-N 1 2 290.322 3.252 20 30 CGEDLO Cc1ccc(F)c(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771099228 627682902 /nfs/dbraw/zinc/68/29/02/627682902.db2.gz OOCWMZJGGSJRFG-UHFFFAOYSA-N 1 2 268.295 3.228 20 30 CGEDLO C=CC(C)(C)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835721499 634610588 /nfs/dbraw/zinc/61/05/88/634610588.db2.gz LSBYOPUFKJRSAX-UHFFFAOYSA-N 1 2 284.359 3.300 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCC[C@H]2OC)c1O ZINC000774541957 628004435 /nfs/dbraw/zinc/00/44/35/628004435.db2.gz MXEPEHMHDOXXCB-XWDBZTJWSA-N 1 2 277.364 3.025 20 30 CGEDLO C#C[C@H]([NH2+]Cc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000775787876 628136593 /nfs/dbraw/zinc/13/65/93/628136593.db2.gz BALLPITUUIXTSM-KBPBESRZSA-N 1 2 284.186 3.264 20 30 CGEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(C#N)cc1C ZINC000776742383 628229404 /nfs/dbraw/zinc/22/94/04/628229404.db2.gz HKUXKNOSEIVQHE-UHFFFAOYSA-N 1 2 279.343 3.222 20 30 CGEDLO C(=NNCc1ccccc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000783813596 628748664 /nfs/dbraw/zinc/74/86/64/628748664.db2.gz QIPZLIMXHOKSNK-UHFFFAOYSA-N 1 2 282.372 3.058 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)nc1C ZINC000787132168 628993133 /nfs/dbraw/zinc/99/31/33/628993133.db2.gz ITQWMEZDBDPZGH-UHFFFAOYSA-N 1 2 286.325 3.304 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)nc1C ZINC000787132168 628993136 /nfs/dbraw/zinc/99/31/36/628993136.db2.gz ITQWMEZDBDPZGH-UHFFFAOYSA-N 1 2 286.325 3.304 20 30 CGEDLO C#CCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000788503177 629059993 /nfs/dbraw/zinc/05/99/93/629059993.db2.gz DAURMDXGNNYYEY-MRXNPFEDSA-N 1 2 299.418 3.020 20 30 CGEDLO CCCCCCCC[S@@](=O)Cc1c[nH+]cn1C ZINC000790139895 629185961 /nfs/dbraw/zinc/18/59/61/629185961.db2.gz NXQTUURESPUIPN-QGZVFWFLSA-N 1 2 256.415 3.029 20 30 CGEDLO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862445429 629379818 /nfs/dbraw/zinc/37/98/18/629379818.db2.gz SZDNXVPOYBQZRU-SNVBAGLBSA-N 1 2 267.731 3.030 20 30 CGEDLO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000862445429 629379823 /nfs/dbraw/zinc/37/98/23/629379823.db2.gz SZDNXVPOYBQZRU-SNVBAGLBSA-N 1 2 267.731 3.030 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(F)c(Cl)c2)[C@@H]2CCCCN12 ZINC000863179242 629488668 /nfs/dbraw/zinc/48/86/68/629488668.db2.gz RRKGISCPBMBXJY-ZDUSSCGKSA-N 1 2 295.745 3.032 20 30 CGEDLO CCc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)o1 ZINC000794702783 629569038 /nfs/dbraw/zinc/56/90/38/629569038.db2.gz SIGRTSMCWYIYHX-VURMDHGXSA-N 1 2 290.388 3.256 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC[C@H]2CCCOC2)c(O)c1 ZINC000864345233 629814986 /nfs/dbraw/zinc/81/49/86/629814986.db2.gz RGGMXEQKXVLOGF-GPLLRDDGSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC[C@@H]2CCCOC2)c1O ZINC000864345465 629815141 /nfs/dbraw/zinc/81/51/41/629815141.db2.gz XVGFLMILZKBWBI-HNEYUBDGSA-N 1 2 277.364 3.027 20 30 CGEDLO COc1cc(C#N)ccc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376545 630087435 /nfs/dbraw/zinc/08/74/35/630087435.db2.gz SBSYYJVXNMXKAX-UHFFFAOYSA-N 1 2 269.348 3.109 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000799720974 630224521 /nfs/dbraw/zinc/22/45/21/630224521.db2.gz OTVWJGJPAOUYEP-ZFWWWQNUSA-N 1 2 255.365 3.391 20 30 CGEDLO O=C1c2ccc(Cl)nc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000806578508 630568513 /nfs/dbraw/zinc/56/85/13/630568513.db2.gz UAXBXRXSDAECGZ-CSKARUKUSA-N 1 2 295.729 3.205 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1F ZINC000809717351 630790287 /nfs/dbraw/zinc/79/02/87/630790287.db2.gz GMDPTHARXOQGJO-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1F ZINC000809717351 630790292 /nfs/dbraw/zinc/79/02/92/630790292.db2.gz GMDPTHARXOQGJO-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO CC(C)Oc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000810132113 630841301 /nfs/dbraw/zinc/84/13/01/630841301.db2.gz WCQCHBUEKXIJCC-UHFFFAOYSA-N 1 2 287.388 3.092 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811454235 631066285 /nfs/dbraw/zinc/06/62/85/631066285.db2.gz HRMZGVBSCKZFDA-CQSZACIVSA-N 1 2 297.443 3.161 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811454235 631066288 /nfs/dbraw/zinc/06/62/88/631066288.db2.gz HRMZGVBSCKZFDA-CQSZACIVSA-N 1 2 297.443 3.161 20 30 CGEDLO C[C@@H](C#N)CN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811645365 631096713 /nfs/dbraw/zinc/09/67/13/631096713.db2.gz JNFWUYBOVSBBTA-VIFPVBQESA-N 1 2 299.205 3.143 20 30 CGEDLO CC(=[NH+]OC/C=C\Cl)c1ccc(N2CCCC2)cc1O ZINC000811670117 631108400 /nfs/dbraw/zinc/10/84/00/631108400.db2.gz YEOXRVSFWLLMDH-WENYHIJHSA-N 1 2 294.782 3.486 20 30 CGEDLO N#Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3ccccn13)C2 ZINC000811695372 631110778 /nfs/dbraw/zinc/11/07/78/631110778.db2.gz FCBZLHAPYJKCEI-NTEUORMPSA-N 1 2 285.306 3.028 20 30 CGEDLO CC(=[NH+]Nc1cccc(Cl)c1)c1csc(N)n1 ZINC000812379402 631240934 /nfs/dbraw/zinc/24/09/34/631240934.db2.gz SSEAPCNVTMYJMT-UHFFFAOYSA-N 1 2 266.757 3.215 20 30 CGEDLO C(=NOCCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814246745 631560786 /nfs/dbraw/zinc/56/07/86/631560786.db2.gz XFLOSPGSFQWEJW-UHFFFAOYSA-N 1 2 255.321 3.023 20 30 CGEDLO CC(=[NH+]Nc1ccccc1Cl)c1ccc(N)nc1 ZINC000814690929 631624331 /nfs/dbraw/zinc/62/43/31/631624331.db2.gz FVMKCOAMLZLMRU-UHFFFAOYSA-N 1 2 260.728 3.153 20 30 CGEDLO CCC(=[NH+]OCCC(F)(F)F)c1cccc(N)c1 ZINC000814910498 631677707 /nfs/dbraw/zinc/67/77/07/631677707.db2.gz VVSJFFISYGZHRP-UHFFFAOYSA-N 1 2 260.259 3.352 20 30 CGEDLO COc1ccc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)nc1 ZINC000814910211 631678288 /nfs/dbraw/zinc/67/82/88/631678288.db2.gz XCKAAOCQJKMXRQ-UHFFFAOYSA-N 1 2 290.754 3.162 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000815280927 631753820 /nfs/dbraw/zinc/75/38/20/631753820.db2.gz VEORCRJLDKVYMO-AWEZNQCLSA-N 1 2 286.419 3.266 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000815280927 631753825 /nfs/dbraw/zinc/75/38/25/631753825.db2.gz VEORCRJLDKVYMO-AWEZNQCLSA-N 1 2 286.419 3.266 20 30 CGEDLO CCOc1ccc(O)c(/C=N\Cc2cc(C)[nH+]c(C)c2)c1 ZINC000817707739 632202670 /nfs/dbraw/zinc/20/26/70/632202670.db2.gz MSTMVCTVFRRZBT-WQRHYEAKSA-N 1 2 284.359 3.422 20 30 CGEDLO N#CCC[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccn1 ZINC000822669236 633002716 /nfs/dbraw/zinc/00/27/16/633002716.db2.gz UPWNTVQXMDFIAS-LBPRGKRZSA-N 1 2 298.217 3.381 20 30 CGEDLO N#CCC[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccn1 ZINC000822669236 633002720 /nfs/dbraw/zinc/00/27/20/633002720.db2.gz UPWNTVQXMDFIAS-LBPRGKRZSA-N 1 2 298.217 3.381 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc(C#N)c1O ZINC000866259916 633048860 /nfs/dbraw/zinc/04/88/60/633048860.db2.gz IEJPUZOQBUEVGD-BDJLRTHQSA-N 1 2 294.354 3.308 20 30 CGEDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(C#N)c1O ZINC000866271282 633056743 /nfs/dbraw/zinc/05/67/43/633056743.db2.gz HGVWKCZELUHRMF-SUMWQHHRSA-N 1 2 296.370 3.038 20 30 CGEDLO CC(C)SCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866356767 633098917 /nfs/dbraw/zinc/09/89/17/633098917.db2.gz OUHTVAHAIPBNLZ-LLVKDONJSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc(C#N)c1O ZINC000866376617 633112146 /nfs/dbraw/zinc/11/21/46/633112146.db2.gz XRHCVDUVZADBOY-LBPRGKRZSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000866381146 633112800 /nfs/dbraw/zinc/11/28/00/633112800.db2.gz IDKVUSSABKCXLL-FPMFFAJLSA-N 1 2 288.391 3.261 20 30 CGEDLO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cccc(C#N)c1O ZINC000866385434 633114769 /nfs/dbraw/zinc/11/47/69/633114769.db2.gz WVDXPFLGYSWLAJ-LLVKDONJSA-N 1 2 256.349 3.247 20 30 CGEDLO C#CCCOc1ccc(C[NH2+][C@H](CC)C(F)F)cc1 ZINC000824509913 633251568 /nfs/dbraw/zinc/25/15/68/633251568.db2.gz QAFOCBSFPVYGAV-CQSZACIVSA-N 1 2 267.319 3.222 20 30 CGEDLO C=CC1(CC(=O)NCC(C)(C)n2cc[nH+]c2)CCCCC1 ZINC000825531693 633362968 /nfs/dbraw/zinc/36/29/68/633362968.db2.gz NPCUZPZZLBJWAO-UHFFFAOYSA-N 1 2 289.423 3.261 20 30 CGEDLO C#CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000830316263 633848707 /nfs/dbraw/zinc/84/87/07/633848707.db2.gz KPQPKSSDQPKNKH-LBPRGKRZSA-N 1 2 290.794 3.012 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2(OC)CCC2)c(O)c1 ZINC000840706720 635038011 /nfs/dbraw/zinc/03/80/11/635038011.db2.gz OCMHXJRZHOYDKF-SFQUDFHCSA-N 1 2 277.364 3.169 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@H]2CCOC(C)(C)C2)c1 ZINC000840710132 635038701 /nfs/dbraw/zinc/03/87/01/635038701.db2.gz PABQVAMWPRZZPE-CYUIRQCWSA-N 1 2 291.391 3.415 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000840710308 635039041 /nfs/dbraw/zinc/03/90/41/635039041.db2.gz PXUNEKWUKMPELA-RNEAKCBISA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OCC ZINC000877672253 635140799 /nfs/dbraw/zinc/14/07/99/635140799.db2.gz ZQYPLBCDSFVTIE-QWHCGFSZSA-N 1 2 271.788 3.007 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OCC ZINC000877671850 635141113 /nfs/dbraw/zinc/14/11/13/635141113.db2.gz QEPKRIMWCHXHRM-OLZOCXBDSA-N 1 2 271.788 3.149 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OCC ZINC000877671665 635141318 /nfs/dbraw/zinc/14/13/18/635141318.db2.gz MMAULKOLBYBHEI-JVWICGRDSA-N 1 2 298.814 3.123 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3scnc3Cl)CC2)c1 ZINC000878365331 635476388 /nfs/dbraw/zinc/47/63/88/635476388.db2.gz UGTYMJNHNDVCDJ-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878886204 635649810 /nfs/dbraw/zinc/64/98/10/635649810.db2.gz CMPKEKQNJINZAN-SNVBAGLBSA-N 1 2 272.270 3.424 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878886204 635649816 /nfs/dbraw/zinc/64/98/16/635649816.db2.gz CMPKEKQNJINZAN-SNVBAGLBSA-N 1 2 272.270 3.424 20 30 CGEDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccncc1C#N ZINC000880377468 635989291 /nfs/dbraw/zinc/98/92/91/635989291.db2.gz WTFRKXXHWUYCOK-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000880377468 635989294 /nfs/dbraw/zinc/98/92/94/635989294.db2.gz WTFRKXXHWUYCOK-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC000846011322 636129135 /nfs/dbraw/zinc/12/91/35/636129135.db2.gz SCQAPPZTAOJLIF-UHFFFAOYSA-N 1 2 282.746 3.358 20 30 CGEDLO C=CC[C@@H]1CC[C@@H]([NH2+]CC(F)(F)Br)C1 ZINC000846058418 636139876 /nfs/dbraw/zinc/13/98/76/636139876.db2.gz OBLWTOTUFNQZIE-RKDXNWHRSA-N 1 2 268.145 3.309 20 30 CGEDLO CC[NH+](CC)Cc1csc(NC(=O)CCCCC#N)n1 ZINC000847377556 636384745 /nfs/dbraw/zinc/38/47/45/636384745.db2.gz DLIGGOGZMDLYLN-UHFFFAOYSA-N 1 2 294.424 3.007 20 30 CGEDLO C#CCCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000847863828 636475841 /nfs/dbraw/zinc/47/58/41/636475841.db2.gz COKGFECZIVDLNV-DOTOQJQBSA-N 1 2 287.403 3.415 20 30 CGEDLO C#CCCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000847863828 636475844 /nfs/dbraw/zinc/47/58/44/636475844.db2.gz COKGFECZIVDLNV-DOTOQJQBSA-N 1 2 287.403 3.415 20 30 CGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3ncccn3)CCC1)CC2 ZINC000883311535 636660947 /nfs/dbraw/zinc/66/09/47/636660947.db2.gz CZSIOFJFVFIIMV-MRXNPFEDSA-N 1 2 290.370 3.005 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(Cl)n1C)Cc1ccccc1 ZINC000848882738 636672100 /nfs/dbraw/zinc/67/21/00/636672100.db2.gz ZTGYCAFMWBFJCX-UHFFFAOYSA-N 1 2 275.783 3.262 20 30 CGEDLO C=CC[N@H+](Cc1cnc(Cl)n1C)Cc1ccccc1 ZINC000848882738 636672102 /nfs/dbraw/zinc/67/21/02/636672102.db2.gz ZTGYCAFMWBFJCX-UHFFFAOYSA-N 1 2 275.783 3.262 20 30 CGEDLO COc1cc(CNc2c[nH+]c(C)c(C)c2)ccc1C#N ZINC000883341482 636688157 /nfs/dbraw/zinc/68/81/57/636688157.db2.gz QVRSDHXITUPQNX-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(C#N)c1O ZINC000883358904 636702051 /nfs/dbraw/zinc/70/20/51/636702051.db2.gz SZFVBVBNJGVDQM-TZMCWYRMSA-N 1 2 286.375 3.016 20 30 CGEDLO CC(C)([NH2+]Cc1coc(C2CC2)n1)c1cccc(C#N)c1 ZINC000850354803 637024760 /nfs/dbraw/zinc/02/47/60/637024760.db2.gz AIMXIZFEIGLJJV-UHFFFAOYSA-N 1 2 281.359 3.449 20 30 CGEDLO C=CCC1(O)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000884724995 637137298 /nfs/dbraw/zinc/13/72/98/637137298.db2.gz QKJYPVUQPQASMW-UHFFFAOYSA-N 1 2 286.350 3.281 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CCC1SCCS1 ZINC000852998242 637727992 /nfs/dbraw/zinc/72/79/92/637727992.db2.gz JFWVJNQFQJJGLE-UKTHLTGXSA-N 1 2 253.392 3.007 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CC1(Cl)Cl ZINC000853090673 637753344 /nfs/dbraw/zinc/75/33/44/637753344.db2.gz AUPVDOYKMRWWTA-NSHDSACASA-N 1 2 299.201 3.480 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCOC(C)C ZINC000853086896 637753552 /nfs/dbraw/zinc/75/35/52/637753552.db2.gz RRAKLYOSKLGLTO-UHFFFAOYSA-N 1 2 276.380 3.101 20 30 CGEDLO CC(=[NH+]OCC1CCC1)c1cc(F)c(N)c(F)c1 ZINC000853441222 637844970 /nfs/dbraw/zinc/84/49/70/637844970.db2.gz UMUVOXSHYUVZGF-UHFFFAOYSA-N 1 2 254.280 3.088 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)C[C@@H]1CCOC1 ZINC000853446864 637846297 /nfs/dbraw/zinc/84/62/97/637846297.db2.gz PVPHBFRYGMFCEF-GJZGRUSLSA-N 1 2 288.391 3.101 20 30 CGEDLO C=CC[N@H+](Cn1ccn(C(C)C)c1=S)[C@H](C)COC ZINC000853533214 637862367 /nfs/dbraw/zinc/86/23/67/637862367.db2.gz YCYUYTLFWLXYBQ-CYBMUJFWSA-N 1 2 283.441 3.080 20 30 CGEDLO C=CC[N@@H+](Cn1ccn(C(C)C)c1=S)[C@H](C)COC ZINC000853533214 637862368 /nfs/dbraw/zinc/86/23/68/637862368.db2.gz YCYUYTLFWLXYBQ-CYBMUJFWSA-N 1 2 283.441 3.080 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](CCC)OC ZINC000853651748 637882691 /nfs/dbraw/zinc/88/26/91/637882691.db2.gz NVMUXPPHKCCSAS-AWEZNQCLSA-N 1 2 276.380 3.101 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854499804 638060591 /nfs/dbraw/zinc/06/05/91/638060591.db2.gz MAXWFVVMGYAUTM-HUUCEWRRSA-N 1 2 289.423 3.166 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@H](C(C)C)CC1=O ZINC000113239927 638167320 /nfs/dbraw/zinc/16/73/20/638167320.db2.gz SHPLLDJAAGNWRM-KRWDZBQOSA-N 1 2 286.419 3.137 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@H](C(C)C)CC1=O ZINC000113239927 638167324 /nfs/dbraw/zinc/16/73/24/638167324.db2.gz SHPLLDJAAGNWRM-KRWDZBQOSA-N 1 2 286.419 3.137 20 30 CGEDLO CC[C@H]([NH2+]CCCSC)c1cccc(C#N)c1O ZINC000925095581 638450174 /nfs/dbraw/zinc/45/01/74/638450174.db2.gz VFLSYEHMLJFNQA-ZDUSSCGKSA-N 1 2 264.394 3.058 20 30 CGEDLO CC[C@H]([NH2+]Cc1cncc(C)c1)c1cccc(C#N)c1O ZINC000925644397 638554964 /nfs/dbraw/zinc/55/49/64/638554964.db2.gz JHGHDUKFXCLHRL-INIZCTEOSA-N 1 2 281.359 3.208 20 30 CGEDLO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926284536 638758986 /nfs/dbraw/zinc/75/89/86/638758986.db2.gz WKDZGMGZRAQQPM-GFCCVEGCSA-N 1 2 266.291 3.102 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ncccc1C)c1cccc(C#N)c1O ZINC000926528361 638781542 /nfs/dbraw/zinc/78/15/42/638781542.db2.gz PLLIDVZQAZDJBS-MRXNPFEDSA-N 1 2 295.386 3.251 20 30 CGEDLO C=C1CCC(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000926926234 638826506 /nfs/dbraw/zinc/82/65/06/638826506.db2.gz UOYPCJGLXUSUFA-INIZCTEOSA-N 1 2 282.391 3.230 20 30 CGEDLO C[C@H](c1ncccn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930158532 638978395 /nfs/dbraw/zinc/97/83/95/638978395.db2.gz MUWFCPBAWUQRHE-CQSZACIVSA-N 1 2 290.370 3.199 20 30 CGEDLO C[C@H](c1ncccn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930158532 638978398 /nfs/dbraw/zinc/97/83/98/638978398.db2.gz MUWFCPBAWUQRHE-CQSZACIVSA-N 1 2 290.370 3.199 20 30 CGEDLO C#CC[C@@H]1CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000858599412 638999779 /nfs/dbraw/zinc/99/97/79/638999779.db2.gz MDBFLIONISHPLS-CQSZACIVSA-N 1 2 290.370 3.122 20 30 CGEDLO C#CC[N@@H+](Cc1nc2cc(C)ccc2s1)C1CC1 ZINC000859252599 639119916 /nfs/dbraw/zinc/11/99/16/639119916.db2.gz PBLRAUCBSOPXDH-UHFFFAOYSA-N 1 2 256.374 3.202 20 30 CGEDLO C#CC[N@H+](Cc1nc2cc(C)ccc2s1)C1CC1 ZINC000859252599 639119917 /nfs/dbraw/zinc/11/99/17/639119917.db2.gz PBLRAUCBSOPXDH-UHFFFAOYSA-N 1 2 256.374 3.202 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000859280871 639124528 /nfs/dbraw/zinc/12/45/28/639124528.db2.gz MJVAKWROVYXRHM-QMMMGPOBSA-N 1 2 288.135 3.181 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000859280871 639124529 /nfs/dbraw/zinc/12/45/29/639124529.db2.gz MJVAKWROVYXRHM-QMMMGPOBSA-N 1 2 288.135 3.181 20 30 CGEDLO C=C[C@H](CC)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000931466562 639156137 /nfs/dbraw/zinc/15/61/37/639156137.db2.gz DYJVTRVXRBJUBO-GFCCVEGCSA-N 1 2 257.337 3.184 20 30 CGEDLO CC[C@H](OCC[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932152885 639276927 /nfs/dbraw/zinc/27/69/27/639276927.db2.gz UZCYVWSVRFUPLT-WBVHZDCISA-N 1 2 272.392 3.390 20 30 CGEDLO CC[C@H](OCC[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932152885 639276932 /nfs/dbraw/zinc/27/69/32/639276932.db2.gz UZCYVWSVRFUPLT-WBVHZDCISA-N 1 2 272.392 3.390 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(Cl)n1)C2 ZINC000860106559 639282408 /nfs/dbraw/zinc/28/24/08/639282408.db2.gz NMGHKRMQJSYJRQ-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccc(Cl)n1)C2 ZINC000860106559 639282412 /nfs/dbraw/zinc/28/24/12/639282412.db2.gz NMGHKRMQJSYJRQ-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO C#CCC1([NH2+]Cc2noc(C3CCCCC3)n2)CCC1 ZINC000933299556 639437480 /nfs/dbraw/zinc/43/74/80/639437480.db2.gz UJXHKIQLCVMDHQ-UHFFFAOYSA-N 1 2 273.380 3.153 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000934469676 639614749 /nfs/dbraw/zinc/61/47/49/639614749.db2.gz YDZIVBYCWZTWOY-OAHLLOKOSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000934469676 639614753 /nfs/dbraw/zinc/61/47/53/639614753.db2.gz YDZIVBYCWZTWOY-OAHLLOKOSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000934469842 639615343 /nfs/dbraw/zinc/61/53/43/639615343.db2.gz IGTVOFWAUNSZCR-NWDGAFQWSA-N 1 2 278.783 3.317 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000934469842 639615348 /nfs/dbraw/zinc/61/53/48/639615348.db2.gz IGTVOFWAUNSZCR-NWDGAFQWSA-N 1 2 278.783 3.317 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000934510678 639622524 /nfs/dbraw/zinc/62/25/24/639622524.db2.gz BUKOEUAUPATHRD-CQSZACIVSA-N 1 2 272.373 3.391 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000934510678 639622527 /nfs/dbraw/zinc/62/25/27/639622527.db2.gz BUKOEUAUPATHRD-CQSZACIVSA-N 1 2 272.373 3.391 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836028 639686598 /nfs/dbraw/zinc/68/65/98/639686598.db2.gz YITLXJMBBUVDAX-OKZBNKHCSA-N 1 2 284.403 3.390 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836028 639686602 /nfs/dbraw/zinc/68/66/02/639686602.db2.gz YITLXJMBBUVDAX-OKZBNKHCSA-N 1 2 284.403 3.390 20 30 CGEDLO C=C(C)c1cccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000934874079 639693715 /nfs/dbraw/zinc/69/37/15/639693715.db2.gz KGYDVTMEXGHFCP-CYBMUJFWSA-N 1 2 284.363 3.126 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1nc(C(C)(C)C)oc1=S ZINC000076665009 640208499 /nfs/dbraw/zinc/20/84/99/640208499.db2.gz MXFBRONCGXSNFW-UHFFFAOYSA-N 1 2 269.414 3.359 20 30 CGEDLO C=CCCC[N@H+](C)Cn1nc(C(C)(C)C)oc1=S ZINC000076665009 640208506 /nfs/dbraw/zinc/20/85/06/640208506.db2.gz MXFBRONCGXSNFW-UHFFFAOYSA-N 1 2 269.414 3.359 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CCCOCCc1ccccc1 ZINC000077552497 640245100 /nfs/dbraw/zinc/24/51/00/640245100.db2.gz DPGDIQPKRDNFFX-XDJHFCHBSA-N 1 2 283.371 3.461 20 30 CGEDLO Cc1ncc(CO[NH+]=C(N)Cc2ccccc2Cl)s1 ZINC000194616621 640545465 /nfs/dbraw/zinc/54/54/65/640545465.db2.gz JHZHDVMUXISKTH-UHFFFAOYSA-N 1 2 295.795 3.136 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016311394 640993749 /nfs/dbraw/zinc/99/37/49/640993749.db2.gz SKMGLLKVGJFBKS-GDBMZVCRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016311394 640993753 /nfs/dbraw/zinc/99/37/53/640993753.db2.gz SKMGLLKVGJFBKS-GDBMZVCRSA-N 1 2 296.842 3.066 20 30 CGEDLO Cc1cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)nc(C#N)n1 ZINC001155960684 805629781 /nfs/dbraw/zinc/62/97/81/805629781.db2.gz XGFDTUOLRLWEJN-UHFFFAOYSA-N 1 2 295.390 3.262 20 30 CGEDLO CN(CC/C=C/c1cccnc1)c1cc(CC#N)cc[nH+]1 ZINC001155977452 805635150 /nfs/dbraw/zinc/63/51/50/805635150.db2.gz WZKCSQHOPRJWAU-GORDUTHDSA-N 1 2 278.359 3.082 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H](c2cccnc2)C(F)(F)F)c1 ZINC001156158601 805660741 /nfs/dbraw/zinc/66/07/41/805660741.db2.gz FLZKCIKYMWCAIT-CYBMUJFWSA-N 1 2 292.264 3.258 20 30 CGEDLO Cc1ccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)c(C#N)c1 ZINC001251240186 805869642 /nfs/dbraw/zinc/86/96/42/805869642.db2.gz WAMBBXAHLIOQNR-UHFFFAOYSA-N 1 2 276.343 3.476 20 30 CGEDLO COC1CCC(Nc2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001157803730 805874549 /nfs/dbraw/zinc/87/45/49/805874549.db2.gz QGIQFGNWOKXCIE-UHFFFAOYSA-N 1 2 281.359 3.476 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2CCCc3cccnc32)c1 ZINC001157846499 805886408 /nfs/dbraw/zinc/88/64/08/805886408.db2.gz COYBGGMJRQRDTE-CQSZACIVSA-N 1 2 264.332 3.032 20 30 CGEDLO CSCc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001159376026 806090815 /nfs/dbraw/zinc/09/08/15/806090815.db2.gz SLFYMEBXLIKQPW-UHFFFAOYSA-N 1 2 268.385 3.408 20 30 CGEDLO C=CCC[C@H](O)C[NH2+][C@H](CCC(C)C)C(=O)OC(C)(C)C ZINC001252617763 806090879 /nfs/dbraw/zinc/09/08/79/806090879.db2.gz KCLQZXGFZOCYHH-LSDHHAIUSA-N 1 2 299.455 3.050 20 30 CGEDLO CCCCCCCCCC[C@H](O)CN1CC[NH+](C)CC1 ZINC001252978703 806144399 /nfs/dbraw/zinc/14/43/99/806144399.db2.gz DEPWMCKZNNMBMZ-KRWDZBQOSA-N 1 2 284.488 3.126 20 30 CGEDLO Cc1cnc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)c(C#N)c1 ZINC001160683377 806294116 /nfs/dbraw/zinc/29/41/16/806294116.db2.gz NPBFESFGTDVNBN-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO Cn1ccc2cc(CNc3[nH+]cccc3CC#N)ccc21 ZINC001162166453 806519676 /nfs/dbraw/zinc/51/96/76/806519676.db2.gz SFULCPPTNVPACW-UHFFFAOYSA-N 1 2 276.343 3.251 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001255157256 806558454 /nfs/dbraw/zinc/55/84/54/806558454.db2.gz ZICIWZUBJQSPBI-SECBINFHSA-N 1 2 258.699 3.400 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166215 806563380 /nfs/dbraw/zinc/56/33/80/806563380.db2.gz HPAHISLLJBMAET-KGLIPLIRSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166215 806563387 /nfs/dbraw/zinc/56/33/87/806563387.db2.gz HPAHISLLJBMAET-KGLIPLIRSA-N 1 2 295.427 3.010 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)C ZINC000702237321 799905742 /nfs/dbraw/zinc/90/57/42/799905742.db2.gz ZAGGGLHABOFLLW-LBPRGKRZSA-N 1 2 251.757 3.183 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1cccc(C#N)c1O ZINC000822658633 800463464 /nfs/dbraw/zinc/46/34/64/800463464.db2.gz FWGLPROXVSBOCD-SWLSCSKDSA-N 1 2 298.390 3.282 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000925971379 800636663 /nfs/dbraw/zinc/63/66/63/800636663.db2.gz XXTHRRFGDQXEKP-QWHCGFSZSA-N 1 2 282.428 3.271 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024305507 800723202 /nfs/dbraw/zinc/72/32/02/800723202.db2.gz SFLIUKNSADDDNX-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024305507 800723205 /nfs/dbraw/zinc/72/32/05/800723205.db2.gz SFLIUKNSADDDNX-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339586 800960954 /nfs/dbraw/zinc/96/09/54/800960954.db2.gz XPFNYPZKCCRONQ-UONOGXRCSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339586 800960959 /nfs/dbraw/zinc/96/09/59/800960959.db2.gz XPFNYPZKCCRONQ-UONOGXRCSA-N 1 2 298.858 3.098 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H](F)C(F)(F)C3)c12 ZINC001164063490 806884298 /nfs/dbraw/zinc/88/42/98/806884298.db2.gz MYRCGDGMLBZQKK-NSHDSACASA-N 1 2 294.280 3.008 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088540298 801798487 /nfs/dbraw/zinc/79/84/87/801798487.db2.gz RFUHWHRPHWISJK-HIFRSBDPSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088540298 801798494 /nfs/dbraw/zinc/79/84/94/801798494.db2.gz RFUHWHRPHWISJK-HIFRSBDPSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001088510774 801799029 /nfs/dbraw/zinc/79/90/29/801799029.db2.gz LYRXGEIXULUBNX-NEPJUHHUSA-N 1 2 298.858 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001088510774 801799038 /nfs/dbraw/zinc/79/90/38/801799038.db2.gz LYRXGEIXULUBNX-NEPJUHHUSA-N 1 2 298.858 3.000 20 30 CGEDLO CCNc1ccc(Nc2snc(Cl)c2C#N)c[nH+]1 ZINC001164394409 806944635 /nfs/dbraw/zinc/94/46/35/806944635.db2.gz OPPHUCKQCJGLQE-UHFFFAOYSA-N 1 2 279.756 3.239 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001113513601 802226125 /nfs/dbraw/zinc/22/61/25/802226125.db2.gz VJZXSEXGTXMHAV-INIZCTEOSA-N 1 2 280.456 3.169 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(F)cc1 ZINC001117392236 802464214 /nfs/dbraw/zinc/46/42/14/802464214.db2.gz PLTYKHQXZXEBHH-JXMROGBWSA-N 1 2 270.307 3.183 20 30 CGEDLO CC[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(C#N)c1O ZINC001119637394 802687689 /nfs/dbraw/zinc/68/76/89/802687689.db2.gz SSMIBVLQBSBXGR-GLWUULTISA-N 1 2 292.329 3.492 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC001119941571 802710872 /nfs/dbraw/zinc/71/08/72/802710872.db2.gz DRHAMEIMCNKUFE-ZDUSSCGKSA-N 1 2 284.338 3.044 20 30 CGEDLO N#C[C@H]1CC=C(c2cc[nH+]c(N3CCCC3)c2)CC1 ZINC001243798826 803016847 /nfs/dbraw/zinc/01/68/47/803016847.db2.gz QKKNYFBWPDKSAX-ZDUSSCGKSA-N 1 2 253.349 3.389 20 30 CGEDLO Cc1ccc2nc(C[N@@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001137216966 803699288 /nfs/dbraw/zinc/69/92/88/803699288.db2.gz DJKFZWCEEXHTNJ-CQSZACIVSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2nc(C[N@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001137216966 803699290 /nfs/dbraw/zinc/69/92/90/803699290.db2.gz DJKFZWCEEXHTNJ-CQSZACIVSA-N 1 2 265.360 3.279 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137342724 803719610 /nfs/dbraw/zinc/71/96/10/803719610.db2.gz KEFBAVGOGQMRTN-HNNXBMFYSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137342724 803719614 /nfs/dbraw/zinc/71/96/14/803719614.db2.gz KEFBAVGOGQMRTN-HNNXBMFYSA-N 1 2 257.312 3.043 20 30 CGEDLO N#CCC1CC[NH+](Cc2cc(F)cc(F)c2F)CC1 ZINC001137872259 803790064 /nfs/dbraw/zinc/79/00/64/803790064.db2.gz ISWATYHZGORBCG-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001138666307 804000204 /nfs/dbraw/zinc/00/02/04/804000204.db2.gz QADWAWDTEAYHQN-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001138666307 804000214 /nfs/dbraw/zinc/00/02/14/804000214.db2.gz QADWAWDTEAYHQN-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO CC(C)c1nc(C[N@@H+]2CCC[C@H](C#N)CC2)cs1 ZINC001138887597 804063307 /nfs/dbraw/zinc/06/33/07/804063307.db2.gz HKZPVXMAWOYGBR-LBPRGKRZSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1nc(C[N@H+]2CCC[C@H](C#N)CC2)cs1 ZINC001138887597 804063315 /nfs/dbraw/zinc/06/33/15/804063315.db2.gz HKZPVXMAWOYGBR-LBPRGKRZSA-N 1 2 263.410 3.392 20 30 CGEDLO CCCCOc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001138956780 804083975 /nfs/dbraw/zinc/08/39/75/804083975.db2.gz ROJWTLSMHQODEV-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCCOc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001138956780 804083984 /nfs/dbraw/zinc/08/39/84/804083984.db2.gz ROJWTLSMHQODEV-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001139687377 804255192 /nfs/dbraw/zinc/25/51/92/804255192.db2.gz PHEAKUVHGGJDLR-BLLLJJGKSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001139687377 804255201 /nfs/dbraw/zinc/25/52/01/804255201.db2.gz PHEAKUVHGGJDLR-BLLLJJGKSA-N 1 2 290.794 3.213 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(C#N)c1 ZINC001139875034 804306621 /nfs/dbraw/zinc/30/66/21/804306621.db2.gz RXDQHRMGHJBVOK-UHFFFAOYSA-N 1 2 259.328 3.213 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(C#N)c1 ZINC001139875034 804306629 /nfs/dbraw/zinc/30/66/29/804306629.db2.gz RXDQHRMGHJBVOK-UHFFFAOYSA-N 1 2 259.328 3.213 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC001140213044 804402537 /nfs/dbraw/zinc/40/25/37/804402537.db2.gz NVQJYWCVMKLZEH-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC001140213044 804402541 /nfs/dbraw/zinc/40/25/41/804402541.db2.gz NVQJYWCVMKLZEH-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(F)c(C#N)c(F)c2)CCC1(F)F ZINC001140751244 804504545 /nfs/dbraw/zinc/50/45/45/804504545.db2.gz OPYVDCRSCRNRTQ-VIFPVBQESA-N 1 2 286.272 3.314 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CCC1(F)F ZINC001140751244 804504548 /nfs/dbraw/zinc/50/45/48/804504548.db2.gz OPYVDCRSCRNRTQ-VIFPVBQESA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001141164057 804601142 /nfs/dbraw/zinc/60/11/42/804601142.db2.gz HRBUXZUKVYGQSB-CYBMUJFWSA-N 1 2 286.272 3.267 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001141164057 804601147 /nfs/dbraw/zinc/60/11/47/804601147.db2.gz HRBUXZUKVYGQSB-CYBMUJFWSA-N 1 2 286.272 3.267 20 30 CGEDLO C=CCCCNC(=S)Nc1ccccc1-n1cc[nH+]c1 ZINC001247689559 804796380 /nfs/dbraw/zinc/79/63/80/804796380.db2.gz AHGPJAFLHBIQEN-UHFFFAOYSA-N 1 2 286.404 3.125 20 30 CGEDLO COc1c(F)ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143321538 804836050 /nfs/dbraw/zinc/83/60/50/804836050.db2.gz KSTNWVZJBAPDIP-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1c(F)ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001143321538 804836056 /nfs/dbraw/zinc/83/60/56/804836056.db2.gz KSTNWVZJBAPDIP-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO CCCCCCCNC(=S)Nc1cc[nH+]cc1C ZINC001249625375 805191525 /nfs/dbraw/zinc/19/15/25/805191525.db2.gz LQHNWRPJQNVGRS-UHFFFAOYSA-N 1 2 265.426 3.069 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(Cl)c2F)cc[nH+]1 ZINC001250087539 805408507 /nfs/dbraw/zinc/40/85/07/805408507.db2.gz ZVJHBDUPHGEWTR-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)cn1 ZINC001250316839 805561652 /nfs/dbraw/zinc/56/16/52/805561652.db2.gz ATRCDQWYURLJKC-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)cn1 ZINC001250316839 805561658 /nfs/dbraw/zinc/56/16/58/805561658.db2.gz ATRCDQWYURLJKC-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC(c4ccccc4)C3)c12 ZINC001167064288 807140924 /nfs/dbraw/zinc/14/09/24/807140924.db2.gz HYRUABZULPDMDF-UHFFFAOYSA-N 1 2 274.327 3.038 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258412585 807444372 /nfs/dbraw/zinc/44/43/72/807444372.db2.gz QSZXOQKOENQNJF-KRWDZBQOSA-N 1 2 289.398 3.322 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(CCC)CC1)C(=O)OCC ZINC001258529596 807486332 /nfs/dbraw/zinc/48/63/32/807486332.db2.gz SLYNHAXUOBGUDL-BJDYSFLHSA-N 1 2 279.424 3.443 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CC[C@@H](C#N)C1)CC2 ZINC001171322104 808026769 /nfs/dbraw/zinc/02/67/69/808026769.db2.gz RZOZKXLXCJABAQ-NWDGAFQWSA-N 1 2 290.794 3.051 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@@H](C#N)C1)CC2 ZINC001171322104 808026777 /nfs/dbraw/zinc/02/67/77/808026777.db2.gz RZOZKXLXCJABAQ-NWDGAFQWSA-N 1 2 290.794 3.051 20 30 CGEDLO C#CC1CC[NH+](Cc2nccc(Cl)c2Cl)CC1 ZINC001171491043 808075685 /nfs/dbraw/zinc/07/56/85/808075685.db2.gz RTGPSNNEMQXHHP-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001171567903 808098487 /nfs/dbraw/zinc/09/84/87/808098487.db2.gz WPTSNHXPXMGFSL-NVXWUHKLSA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001171567903 808098495 /nfs/dbraw/zinc/09/84/95/808098495.db2.gz WPTSNHXPXMGFSL-NVXWUHKLSA-N 1 2 299.439 3.126 20 30 CGEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171914052 808153459 /nfs/dbraw/zinc/15/34/59/808153459.db2.gz KJVQSSQZVQNKIB-ZUEPYMLJSA-N 1 2 280.412 3.169 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C(CC)CC ZINC001265639375 808162644 /nfs/dbraw/zinc/16/26/44/808162644.db2.gz VIIOJKYKOCESRA-CQSZACIVSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(CC)CC ZINC001265639375 808162651 /nfs/dbraw/zinc/16/26/51/808162651.db2.gz VIIOJKYKOCESRA-CQSZACIVSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266345595 808246877 /nfs/dbraw/zinc/24/68/77/808246877.db2.gz XBAQPVVMZOLVON-KBPBESRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266345595 808246882 /nfs/dbraw/zinc/24/68/82/808246882.db2.gz XBAQPVVMZOLVON-KBPBESRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(C)cc1C ZINC001266434873 808264257 /nfs/dbraw/zinc/26/42/57/808264257.db2.gz RUXLEAGNEIDGKI-UHFFFAOYSA-N 1 2 294.826 3.108 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(C)cc1C ZINC001266434873 808264264 /nfs/dbraw/zinc/26/42/64/808264264.db2.gz RUXLEAGNEIDGKI-UHFFFAOYSA-N 1 2 294.826 3.108 20 30 CGEDLO CCCCCC[C@@H](CCCC)N1CC[NH2+]C[C@@H]1C#N ZINC001172511896 808367623 /nfs/dbraw/zinc/36/76/23/808367623.db2.gz ASAHBWVUGSLIRX-CVEARBPZSA-N 1 2 265.445 3.313 20 30 CGEDLO N#Cc1cc(F)c(Nc2cccc3[nH+]c[nH]c32)cc1F ZINC001213031561 815205153 /nfs/dbraw/zinc/20/51/53/815205153.db2.gz GHCUAIHJDMBOCL-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](CC)C2CCC(C)CC2)C1 ZINC001267649516 808464417 /nfs/dbraw/zinc/46/44/17/808464417.db2.gz YYYVUYIQGFPRBZ-VMBOVVBDSA-N 1 2 292.467 3.215 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172952277 808494479 /nfs/dbraw/zinc/49/44/79/808494479.db2.gz FVANVQUJMLJHQP-CJNGLKHVSA-N 1 2 297.443 3.160 20 30 CGEDLO Cc1nc(C#N)ccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087513 815229909 /nfs/dbraw/zinc/22/99/09/815229909.db2.gz QUGOVTDSMLUNPT-UHFFFAOYSA-N 1 2 275.315 3.395 20 30 CGEDLO CC(C)n1c[nH+]c2cc(Nc3oncc3C#N)ccc21 ZINC001174381668 808985121 /nfs/dbraw/zinc/98/51/21/808985121.db2.gz NNRYGXSQLFGGNY-UHFFFAOYSA-N 1 2 267.292 3.220 20 30 CGEDLO CC(C)(O)C#Cc1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174415912 809010288 /nfs/dbraw/zinc/01/02/88/809010288.db2.gz VNXPTRWOURGMGL-UHFFFAOYSA-N 1 2 291.354 3.381 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001278434277 809133818 /nfs/dbraw/zinc/13/38/18/809133818.db2.gz OYCCISWLYZCEIP-DZGCQCFKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001278434277 809133824 /nfs/dbraw/zinc/13/38/24/809133824.db2.gz OYCCISWLYZCEIP-DZGCQCFKSA-N 1 2 286.847 3.146 20 30 CGEDLO N#Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)c(Cl)c1 ZINC001176743438 809756215 /nfs/dbraw/zinc/75/62/15/809756215.db2.gz KPFAZHNAXHQBTD-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO N#Cc1cccc(C#N)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176751141 809758108 /nfs/dbraw/zinc/75/81/08/809758108.db2.gz WVPAARMJHYUNID-UHFFFAOYSA-N 1 2 289.342 3.169 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CCCCCCC)CC1 ZINC001181120810 810038817 /nfs/dbraw/zinc/03/88/17/810038817.db2.gz CGYANFASXNCLBA-INIZCTEOSA-N 1 2 280.456 3.313 20 30 CGEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284293 810101879 /nfs/dbraw/zinc/10/18/79/810101879.db2.gz GBHOBSNYYJKXDG-IUODEOHRSA-N 1 2 297.320 3.143 20 30 CGEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284293 810101882 /nfs/dbraw/zinc/10/18/82/810101882.db2.gz GBHOBSNYYJKXDG-IUODEOHRSA-N 1 2 297.320 3.143 20 30 CGEDLO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001182828965 810126468 /nfs/dbraw/zinc/12/64/68/810126468.db2.gz OSPZUQWIOSXAKJ-ZDUSSCGKSA-N 1 2 299.399 3.194 20 30 CGEDLO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001182828965 810126470 /nfs/dbraw/zinc/12/64/70/810126470.db2.gz OSPZUQWIOSXAKJ-ZDUSSCGKSA-N 1 2 299.399 3.194 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC001183916940 810169655 /nfs/dbraw/zinc/16/96/55/810169655.db2.gz QTESDWLHMJLYID-IXDOHACOSA-N 1 2 292.467 3.025 20 30 CGEDLO N#Cc1ccc(F)c(Nc2cccc3[nH+]ccn32)c1 ZINC001214590653 815428078 /nfs/dbraw/zinc/42/80/78/815428078.db2.gz QVBGASKTLRIVDC-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)ccc1N1CCCCC1 ZINC001201285904 811806753 /nfs/dbraw/zinc/80/67/53/811806753.db2.gz SDLLFAQDWBSHHM-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO N#Cc1ccc(C=CNc2cccc3[nH+]ccn32)cc1 ZINC001203299267 812301583 /nfs/dbraw/zinc/30/15/83/812301583.db2.gz JONUXHMMBJBHCX-CMDGGOBGSA-N 1 2 260.300 3.289 20 30 CGEDLO Cc1ccc(Nc2c(C#N)cnn2-c2ccccc2)c(C)[nH+]1 ZINC001203370643 812328227 /nfs/dbraw/zinc/32/82/27/812328227.db2.gz RFAAVDIQAGAUBJ-UHFFFAOYSA-N 1 2 289.342 3.499 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)cc1C ZINC001203759608 812456157 /nfs/dbraw/zinc/45/61/57/812456157.db2.gz FZLZKIKEGUGPSQ-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)cc1C ZINC001203759608 812456161 /nfs/dbraw/zinc/45/61/61/812456161.db2.gz FZLZKIKEGUGPSQ-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO N#CCCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001205649062 813040598 /nfs/dbraw/zinc/04/05/98/813040598.db2.gz QSBYZBOYZRBDHU-NSHDSACASA-N 1 2 299.827 3.081 20 30 CGEDLO N#CCCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001205649062 813040608 /nfs/dbraw/zinc/04/06/08/813040608.db2.gz QSBYZBOYZRBDHU-NSHDSACASA-N 1 2 299.827 3.081 20 30 CGEDLO C=CCC[C@@H]([NH2+]C[C@H](OC)C1CCCCC1)C(=O)OCC ZINC001205849530 813107371 /nfs/dbraw/zinc/10/73/71/813107371.db2.gz RIYJNYXYZRARBH-CVEARBPZSA-N 1 2 297.439 3.069 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001207037253 813470837 /nfs/dbraw/zinc/47/08/37/813470837.db2.gz TXQLUMRSMORXOX-UHFFFAOYSA-N 1 2 295.361 3.278 20 30 CGEDLO C=CCC1(O)C[NH+](C/C=C/c2c(C)cc(C)cc2C)C1 ZINC001207798192 813652462 /nfs/dbraw/zinc/65/24/62/813652462.db2.gz DEKLZWABNHQSBJ-VOTSOKGWSA-N 1 2 271.404 3.248 20 30 CGEDLO C#CC[NH+]1CCN(C/C=C/CCCCCCC)CC1 ZINC001208118945 813697851 /nfs/dbraw/zinc/69/78/51/813697851.db2.gz STDGRWNOICDGQV-ZHACJKMWSA-N 1 2 262.441 3.154 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3ccc(Cl)cc3)CCC2S1 ZINC001208740736 813830126 /nfs/dbraw/zinc/83/01/26/813830126.db2.gz TWICGIJEPJJPJT-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Cl)cc3)CCC2S1 ZINC001208740736 813830130 /nfs/dbraw/zinc/83/01/30/813830130.db2.gz TWICGIJEPJJPJT-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3ccc(Cl)cc3)CC[C@H]2S1 ZINC001208740736 813830136 /nfs/dbraw/zinc/83/01/36/813830136.db2.gz TWICGIJEPJJPJT-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@H]2S1 ZINC001208740736 813830142 /nfs/dbraw/zinc/83/01/42/813830142.db2.gz TWICGIJEPJJPJT-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3ccc(F)cc3)CC[C@H]2S1 ZINC001208765218 813834413 /nfs/dbraw/zinc/83/44/13/813834413.db2.gz LOVHGMBRZKUERL-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3ccc(F)cc3)CC[C@H]2S1 ZINC001208765218 813834424 /nfs/dbraw/zinc/83/44/24/813834424.db2.gz LOVHGMBRZKUERL-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(O)c(OC)c1 ZINC001209529534 814075289 /nfs/dbraw/zinc/07/52/89/814075289.db2.gz BNSPVKIBTRBSON-UHFFFAOYSA-N 1 2 280.343 3.056 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(O)c(OC)c1 ZINC001209529534 814075297 /nfs/dbraw/zinc/07/52/97/814075297.db2.gz BNSPVKIBTRBSON-UHFFFAOYSA-N 1 2 280.343 3.056 20 30 CGEDLO Cc1noc(Nc2ccc3c[nH+]ccc3c2)c1C#N ZINC001210043218 814261524 /nfs/dbraw/zinc/26/15/24/814261524.db2.gz AUKUQJCYSVSMDC-UHFFFAOYSA-N 1 2 250.261 3.147 20 30 CGEDLO C[C@@H]1CC(=O)C=C(Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001210769768 814616070 /nfs/dbraw/zinc/61/60/70/814616070.db2.gz FPEPTSYVNXDHQH-LBPRGKRZSA-N 1 2 267.332 3.167 20 30 CGEDLO C[C@@H]1CC(=O)C=C(Nc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001210774786 814620575 /nfs/dbraw/zinc/62/05/75/814620575.db2.gz DVHJNUQSNARHLA-ZDUSSCGKSA-N 1 2 281.359 3.226 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C#N)c(C)c1 ZINC001210807344 814637481 /nfs/dbraw/zinc/63/74/81/814637481.db2.gz BXJCZFZZITXMRI-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO Cc1ccc(Nc2ccc3c(c2)[nH+]cn3C)cc1C#N ZINC001216075591 815681286 /nfs/dbraw/zinc/68/12/86/815681286.db2.gz FXRXDKIMESNUDD-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO C#Cc1cc(Nc2cc(SC)cc(F)c2OC)cc[nH+]1 ZINC001216580804 815863106 /nfs/dbraw/zinc/86/31/06/815863106.db2.gz SZWJMFHATYXNRV-UHFFFAOYSA-N 1 2 288.347 3.098 20 30 CGEDLO CC(C)(C)c1cc(C#N)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218008515 816050282 /nfs/dbraw/zinc/05/02/82/816050282.db2.gz ZKJVXGMBIOPMDA-CQSZACIVSA-N 1 2 294.345 3.232 20 30 CGEDLO CCC[C@@H](C#Cc1ccccc1)OCc1c[nH+]cn1C ZINC001222599378 816474959 /nfs/dbraw/zinc/47/49/59/816474959.db2.gz AAMTWTMNEXPTCZ-KRWDZBQOSA-N 1 2 268.360 3.157 20 30 CGEDLO C=C[C@H](CC(=O)OC(C)(C)C)OCCCCC(=[NH2+])OCC ZINC001224963017 816918526 /nfs/dbraw/zinc/91/85/26/816918526.db2.gz FIZVLSVAGWMYMR-CYBMUJFWSA-N 1 2 299.411 3.473 20 30 CGEDLO C=CCOc1cccc(C[NH+]2CC(OCCCC)C2)c1 ZINC001231623517 818138081 /nfs/dbraw/zinc/13/80/81/818138081.db2.gz IDXXVTDLJOBFDA-UHFFFAOYSA-N 1 2 275.392 3.252 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231733752 818161336 /nfs/dbraw/zinc/16/13/36/818161336.db2.gz GDXXWDSMWHSPFJ-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231733752 818161339 /nfs/dbraw/zinc/16/13/39/818161339.db2.gz GDXXWDSMWHSPFJ-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241766 818290195 /nfs/dbraw/zinc/29/01/95/818290195.db2.gz UMXOAFLTJDERCU-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241766 818290201 /nfs/dbraw/zinc/29/02/01/818290201.db2.gz UMXOAFLTJDERCU-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001232355486 818328073 /nfs/dbraw/zinc/32/80/73/818328073.db2.gz OEBJQQDDSAWYSA-UHFFFAOYSA-N 1 2 293.370 3.006 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC001232679005 818417195 /nfs/dbraw/zinc/41/71/95/818417195.db2.gz YEYPVDSBEHCDBX-INIZCTEOSA-N 1 2 264.328 3.211 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001232679005 818417196 /nfs/dbraw/zinc/41/71/96/818417196.db2.gz YEYPVDSBEHCDBX-INIZCTEOSA-N 1 2 264.328 3.211 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCc3ccccc3C2)c1 ZINC001232679438 818417550 /nfs/dbraw/zinc/41/75/50/818417550.db2.gz KSRRMJGVSXIOEC-UHFFFAOYSA-N 1 2 278.355 3.212 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC001232679438 818417554 /nfs/dbraw/zinc/41/75/54/818417554.db2.gz KSRRMJGVSXIOEC-UHFFFAOYSA-N 1 2 278.355 3.212 20 30 CGEDLO Cc1c(Cl)nccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001232751791 818432459 /nfs/dbraw/zinc/43/24/59/818432459.db2.gz PTSRRQDVRDQHKY-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1c(Cl)nccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001232751791 818432464 /nfs/dbraw/zinc/43/24/64/818432464.db2.gz PTSRRQDVRDQHKY-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(O)c1F ZINC001232935308 818477512 /nfs/dbraw/zinc/47/75/12/818477512.db2.gz IWDJJOMOIGBAEC-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(O)c1F ZINC001232935308 818477516 /nfs/dbraw/zinc/47/75/16/818477516.db2.gz IWDJJOMOIGBAEC-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(C#N)c1 ZINC001232963546 818484068 /nfs/dbraw/zinc/48/40/68/818484068.db2.gz IZDIOPQYFYKRLO-UHFFFAOYSA-N 1 2 287.366 3.297 20 30 CGEDLO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(C#N)c1 ZINC001232963546 818484071 /nfs/dbraw/zinc/48/40/71/818484071.db2.gz IZDIOPQYFYKRLO-UHFFFAOYSA-N 1 2 287.366 3.297 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1Cl ZINC001232995599 818495594 /nfs/dbraw/zinc/49/55/94/818495594.db2.gz PDWLWDHXJSPXKQ-UHFFFAOYSA-N 1 2 277.673 3.304 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1Cl ZINC001232995599 818495599 /nfs/dbraw/zinc/49/55/99/818495599.db2.gz PDWLWDHXJSPXKQ-UHFFFAOYSA-N 1 2 277.673 3.304 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1[nH]ccc1C#N ZINC001233046040 818507856 /nfs/dbraw/zinc/50/78/56/818507856.db2.gz KHHSZJJZOOTTGN-LBPRGKRZSA-N 1 2 251.333 3.006 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233046040 818507859 /nfs/dbraw/zinc/50/78/59/818507859.db2.gz KHHSZJJZOOTTGN-LBPRGKRZSA-N 1 2 251.333 3.006 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc3cccnc3s2)C1 ZINC001233348416 818592139 /nfs/dbraw/zinc/59/21/39/818592139.db2.gz ANRUHWSZVVXFAI-LLVKDONJSA-N 1 2 257.362 3.032 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348416 818592143 /nfs/dbraw/zinc/59/21/43/818592143.db2.gz ANRUHWSZVVXFAI-LLVKDONJSA-N 1 2 257.362 3.032 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cn2cccc(Cl)c2n1 ZINC001233423023 818617007 /nfs/dbraw/zinc/61/70/07/818617007.db2.gz FCJDHBADZFCXHV-UHFFFAOYSA-N 1 2 261.756 3.162 20 30 CGEDLO C#C[C@@H](CC(C)C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234587643 818887385 /nfs/dbraw/zinc/88/73/85/818887385.db2.gz CKRBXLFDSBLEOB-AWEZNQCLSA-N 1 2 259.349 3.475 20 30 CGEDLO C#C[C@@H](Oc1ccc(C(=[NH2+])OCC)cc1)c1ccncc1 ZINC001234587931 818887891 /nfs/dbraw/zinc/88/78/91/818887891.db2.gz GBNSJYATNWGYBJ-MRXNPFEDSA-N 1 2 280.327 3.197 20 30 CGEDLO C=CCC[N@H+](Cc1ccccc1)Cc1ncc(F)cn1 ZINC001235006231 818976486 /nfs/dbraw/zinc/97/64/86/818976486.db2.gz UGKGNCPXKKNPFX-UHFFFAOYSA-N 1 2 271.339 3.194 20 30 CGEDLO C=CCC[N@@H+](Cc1ccccc1)Cc1ncc(F)cn1 ZINC001235006231 818976496 /nfs/dbraw/zinc/97/64/96/818976496.db2.gz UGKGNCPXKKNPFX-UHFFFAOYSA-N 1 2 271.339 3.194 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001235656281 819130285 /nfs/dbraw/zinc/13/02/85/819130285.db2.gz AXACBUSOAOQWKY-JTQLQIEISA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001235656281 819130289 /nfs/dbraw/zinc/13/02/89/819130289.db2.gz AXACBUSOAOQWKY-JTQLQIEISA-N 1 2 286.272 3.314 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(F)c(C#N)c1 ZINC001235895377 819205754 /nfs/dbraw/zinc/20/57/54/819205754.db2.gz IVBTUKZPSWUGBS-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO COc1ccc(C#N)cc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001236543748 819530004 /nfs/dbraw/zinc/53/00/04/819530004.db2.gz JQJSTNLRMBTBBR-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO N#CCc1cc(C(F)(F)F)ccc1-c1ccc[nH+]c1N ZINC001243472848 823414167 /nfs/dbraw/zinc/41/41/67/823414167.db2.gz BIAIMGLREHRXES-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO Cc1c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc(F)c1F ZINC001237158833 819684517 /nfs/dbraw/zinc/68/45/17/819684517.db2.gz OONBXTVLKUDXAV-CYBMUJFWSA-N 1 2 295.354 3.047 20 30 CGEDLO Cc1c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc(F)c1F ZINC001237158833 819684520 /nfs/dbraw/zinc/68/45/20/819684520.db2.gz OONBXTVLKUDXAV-CYBMUJFWSA-N 1 2 295.354 3.047 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(C#N)c1 ZINC001237752735 819838258 /nfs/dbraw/zinc/83/82/58/819838258.db2.gz YANFONDFWDNUDJ-UHFFFAOYSA-N 1 2 261.756 3.337 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(C#N)c1 ZINC001237752735 819838263 /nfs/dbraw/zinc/83/82/63/819838263.db2.gz YANFONDFWDNUDJ-UHFFFAOYSA-N 1 2 261.756 3.337 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(Cl)c1 ZINC001238085314 819927919 /nfs/dbraw/zinc/92/79/19/819927919.db2.gz AZVQMSLFCOUYAO-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(Cl)c1 ZINC001238085314 819927927 /nfs/dbraw/zinc/92/79/27/819927927.db2.gz AZVQMSLFCOUYAO-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO Cn1ccc2c[nH+]c(/C=C/c3ccc(C#N)cc3)nc21 ZINC001239277278 820249690 /nfs/dbraw/zinc/24/96/90/820249690.db2.gz QPXPECKQXIEARU-VOTSOKGWSA-N 1 2 260.300 3.010 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cn1 ZINC001240225243 820903599 /nfs/dbraw/zinc/90/35/99/820903599.db2.gz ZBNRYOYNYYLFPA-YBFXNURJSA-N 1 2 264.332 3.150 20 30 CGEDLO CN(C)C=[NH+]c1ccc(-c2cccc3n[nH]cc32)cc1C#N ZINC001240314237 820958437 /nfs/dbraw/zinc/95/84/37/820958437.db2.gz LWXHHNXZSPBIFS-YBFXNURJSA-N 1 2 289.342 3.323 20 30 CGEDLO COc1cc(-c2ccn3cc[nH+]c3c2)ccc1CC#N ZINC001240509389 821103376 /nfs/dbraw/zinc/10/33/76/821103376.db2.gz YHUFZQRDAHAKGT-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2ccnc(C#N)c2)c1 ZINC001241195552 821630431 /nfs/dbraw/zinc/63/04/31/821630431.db2.gz INGYMVMVJMTKMF-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO COc1cc(C#N)ccc1-c1ccc2[nH+]c(C)cn2c1 ZINC001241404320 821802107 /nfs/dbraw/zinc/80/21/07/821802107.db2.gz JOTIEFGMPGHFTN-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=C(C)CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001338947027 936340854 /nfs/dbraw/zinc/34/08/54/936340854.db2.gz CUFVEQXXORYOLM-UHFFFAOYSA-N 1 2 289.423 3.258 20 30 CGEDLO C=C(C)CCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC001346791409 936861826 /nfs/dbraw/zinc/86/18/26/936861826.db2.gz PVPAMKLNRFRDAK-UHFFFAOYSA-N 1 2 288.391 3.198 20 30 CGEDLO C=CC[C@H]1[N@H+](Cc2nnc(OC)s2)CCCC1(C)C ZINC001351412304 937016919 /nfs/dbraw/zinc/01/69/19/937016919.db2.gz UFGPAZSUBGOLOP-LLVKDONJSA-N 1 2 281.425 3.113 20 30 CGEDLO C=CC[C@H]1[N@@H+](Cc2nnc(OC)s2)CCCC1(C)C ZINC001351412304 937016922 /nfs/dbraw/zinc/01/69/22/937016922.db2.gz UFGPAZSUBGOLOP-LLVKDONJSA-N 1 2 281.425 3.113 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@](C)(CC)CCC ZINC001483402184 927498632 /nfs/dbraw/zinc/49/86/32/927498632.db2.gz UTLCRVBDZQTSLJ-UKRRQHHQSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@](C)(CC)CCC ZINC001483402184 927498644 /nfs/dbraw/zinc/49/86/44/927498644.db2.gz UTLCRVBDZQTSLJ-UKRRQHHQSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001483881664 927640587 /nfs/dbraw/zinc/64/05/87/927640587.db2.gz OGPKROPHGXTIRU-MRXNPFEDSA-N 1 2 292.467 3.312 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001486178197 927996362 /nfs/dbraw/zinc/99/63/62/927996362.db2.gz SITFRDORLRHRHS-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001486178197 927996368 /nfs/dbraw/zinc/99/63/68/927996368.db2.gz SITFRDORLRHRHS-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO Fc1ccc(/C=C/C=[NH+]n2cc(Br)cn2)cc1 ZINC000752744864 928827674 /nfs/dbraw/zinc/82/76/74/928827674.db2.gz FIYLWJWTZBIBOW-OGWJHXGDSA-N 1 2 294.127 3.332 20 30 CGEDLO CCc1cc(NCc2ccc(C#N)c(OC)c2)nc(CC)[nH+]1 ZINC001458370529 937460217 /nfs/dbraw/zinc/46/02/17/937460217.db2.gz KOZYUJXSJCMFIC-UHFFFAOYSA-N 1 2 296.374 3.094 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364822 937528799 /nfs/dbraw/zinc/52/87/99/937528799.db2.gz UHBZBCYWTHJKOP-BBRMVZONSA-N 1 2 291.366 3.328 20 30 CGEDLO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364822 937528800 /nfs/dbraw/zinc/52/88/00/937528800.db2.gz UHBZBCYWTHJKOP-BBRMVZONSA-N 1 2 291.366 3.328 20 30 CGEDLO C=C1O[C@H](CC)C(=O)C1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084198 932676129 /nfs/dbraw/zinc/67/61/29/932676129.db2.gz ZOYUHJGHZQUWGU-OAHLLOKOSA-N 1 2 298.342 3.075 20 30 CGEDLO C#CC[C@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084207 932676321 /nfs/dbraw/zinc/67/63/21/932676321.db2.gz ZUJSWCOCWZISBV-AWEZNQCLSA-N 1 2 254.333 3.268 20 30 CGEDLO C#C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001462274042 937629403 /nfs/dbraw/zinc/62/94/03/937629403.db2.gz BWGOEEAJTMYGOT-SFHVURJKSA-N 1 2 263.315 3.141 20 30 CGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2csc(C)c2)c1 ZINC001307422631 932950108 /nfs/dbraw/zinc/95/01/08/932950108.db2.gz WHGKWDXGKBSBHG-UHFFFAOYSA-N 1 2 298.411 3.108 20 30 CGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2csc(C)c2)c1 ZINC001307422631 932950115 /nfs/dbraw/zinc/95/01/15/932950115.db2.gz WHGKWDXGKBSBHG-UHFFFAOYSA-N 1 2 298.411 3.108 20 30 CGEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC001307637665 932979312 /nfs/dbraw/zinc/97/93/12/932979312.db2.gz DTJOSHGYJCSWQS-GFCCVEGCSA-N 1 2 281.315 3.317 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001307800383 933001223 /nfs/dbraw/zinc/00/12/23/933001223.db2.gz VNIRAHRRXDMSNY-AAEUAGOBSA-N 1 2 277.330 3.220 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001307800383 933001230 /nfs/dbraw/zinc/00/12/30/933001230.db2.gz VNIRAHRRXDMSNY-AAEUAGOBSA-N 1 2 277.330 3.220 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1ccc(F)cc1)C(=O)OC ZINC001308902558 933199623 /nfs/dbraw/zinc/19/96/23/933199623.db2.gz RCGARSSKUPOJMN-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccccc1F)C(=O)OCC ZINC001308918940 933204436 /nfs/dbraw/zinc/20/44/36/933204436.db2.gz RULFLBMVGWHWCJ-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001319324313 933855976 /nfs/dbraw/zinc/85/59/76/933855976.db2.gz JIWLTQLHFUYYFA-ZBFHGGJFSA-N 1 2 283.375 3.268 20 30 CGEDLO Cn1c(N[NH+]=Cc2ccc(N)c(Cl)c2)nc2ccccc21 ZINC001319432411 933875381 /nfs/dbraw/zinc/87/53/81/933875381.db2.gz MMJJRIICNSRIIG-UHFFFAOYSA-N 1 2 299.765 3.255 20 30 CGEDLO CC(=NOC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001319685698 933914473 /nfs/dbraw/zinc/91/44/73/933914473.db2.gz YIEMCHUJLGXTHS-INIZCTEOSA-N 1 2 290.407 3.078 20 30 CGEDLO CC(=NOC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001319685698 933914481 /nfs/dbraw/zinc/91/44/81/933914481.db2.gz YIEMCHUJLGXTHS-INIZCTEOSA-N 1 2 290.407 3.078 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(Cl)c1O ZINC001474744200 933973314 /nfs/dbraw/zinc/97/33/14/933973314.db2.gz CXKZQXPVXVWDRW-UHFFFAOYSA-N 1 2 290.725 3.346 20 30 CGEDLO C=CCn1cnn(C[NH+]2CCC(C(C)(C)C)CC2)c1=S ZINC001320636978 934077482 /nfs/dbraw/zinc/07/74/82/934077482.db2.gz OZEGRHGXJHXQBP-UHFFFAOYSA-N 1 2 294.468 3.316 20 30 CGEDLO CN(C)c1cccc(Cl)c1C=[NH+]NCCC(F)(F)F ZINC001321072174 934146662 /nfs/dbraw/zinc/14/66/62/934146662.db2.gz GVMRODGHNBSWRB-UHFFFAOYSA-N 1 2 293.720 3.282 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001324625271 934534263 /nfs/dbraw/zinc/53/42/63/934534263.db2.gz LNFSQVFYWMZJKM-SWLSCSKDSA-N 1 2 295.810 3.368 20 30 CGEDLO C=CCn1cnn(C[NH+]2CCC3(CCCC3)CC2)c1=S ZINC001325540067 934916513 /nfs/dbraw/zinc/91/65/13/934916513.db2.gz XCOSTBZCURTRLC-UHFFFAOYSA-N 1 2 292.452 3.214 20 30 CGEDLO C=C(C)CC[NH2+][C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001473685074 937816923 /nfs/dbraw/zinc/81/69/23/937816923.db2.gz HGBPTSNEGACBCP-MRXNPFEDSA-N 1 2 295.810 3.370 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC001336772317 936216284 /nfs/dbraw/zinc/21/62/84/936216284.db2.gz KJKCROFDHRRWTB-CRAIPNDOSA-N 1 2 290.370 3.204 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC001336796367 936218984 /nfs/dbraw/zinc/21/89/84/936218984.db2.gz DQJBOFAIODFZMF-HZPDHXFCSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC001336796367 936218988 /nfs/dbraw/zinc/21/89/88/936218988.db2.gz DQJBOFAIODFZMF-HZPDHXFCSA-N 1 2 256.349 3.013 20 30 CGEDLO C=C(C)CCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001337044182 936233400 /nfs/dbraw/zinc/23/34/00/936233400.db2.gz HZJCKFVDHVFSOA-UHFFFAOYSA-N 1 2 276.380 3.022 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001473904454 937829007 /nfs/dbraw/zinc/82/90/07/937829007.db2.gz YFTFNQPNPFPJRD-UHFFFAOYSA-N 1 2 264.319 3.263 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001473904454 937829009 /nfs/dbraw/zinc/82/90/09/937829009.db2.gz YFTFNQPNPFPJRD-UHFFFAOYSA-N 1 2 264.319 3.263 20 30 CGEDLO C=CC[C@@H](C)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001476659233 937889322 /nfs/dbraw/zinc/88/93/22/937889322.db2.gz SJNJDHYFYCHTSF-GFCCVEGCSA-N 1 2 298.390 3.387 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001494827865 937956504 /nfs/dbraw/zinc/95/65/04/937956504.db2.gz PCGZWEDVCAAOPG-ZDUSSCGKSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001494827865 937956505 /nfs/dbraw/zinc/95/65/05/937956505.db2.gz PCGZWEDVCAAOPG-ZDUSSCGKSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C/C(C)=C\CC(=O)N(CC[N@H+](C)CC(=C)Cl)C(C)C ZINC001507827479 937996860 /nfs/dbraw/zinc/99/68/60/937996860.db2.gz BGEVERANKDNITP-ZSOIEALJSA-N 1 2 298.858 3.430 20 30 CGEDLO C=C/C(C)=C\CC(=O)N(CC[N@@H+](C)CC(=C)Cl)C(C)C ZINC001507827479 937996861 /nfs/dbraw/zinc/99/68/61/937996861.db2.gz BGEVERANKDNITP-ZSOIEALJSA-N 1 2 298.858 3.430 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001508208953 937998652 /nfs/dbraw/zinc/99/86/52/937998652.db2.gz MZVYSHLBSUNAGH-CYBMUJFWSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001508208953 937998653 /nfs/dbraw/zinc/99/86/53/937998653.db2.gz MZVYSHLBSUNAGH-CYBMUJFWSA-N 1 2 298.858 3.169 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001520229381 938024064 /nfs/dbraw/zinc/02/40/64/938024064.db2.gz NSWQMBGDAVPATJ-AWEZNQCLSA-N 1 2 284.363 3.297 20 30 CGEDLO C=CCC1(C(=O)Nc2cc[nH+]c(C)c2)CCCCC1 ZINC001521201910 938030369 /nfs/dbraw/zinc/03/03/69/938030369.db2.gz AWZJTROZIKFHGD-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO Cc1cc(C)c(NC(=O)CC#Cc2ccccc2)c(C)[nH+]1 ZINC001528347247 938067006 /nfs/dbraw/zinc/06/70/06/938067006.db2.gz MLEXROCLFCLOHC-UHFFFAOYSA-N 1 2 278.355 3.387 20 30 CGEDLO C=C[C@H](C(=O)NCc1c[nH]c(C(C)C)[nH+]1)c1ccccc1 ZINC001558560987 938216370 /nfs/dbraw/zinc/21/63/70/938216370.db2.gz QJOAPIGJHLPZQU-HNNXBMFYSA-N 1 2 283.375 3.119 20 30 CGEDLO C=C[C@H](C(=O)NCc1c[nH+]c(C(C)C)[nH]1)c1ccccc1 ZINC001558560987 938216371 /nfs/dbraw/zinc/21/63/71/938216371.db2.gz QJOAPIGJHLPZQU-HNNXBMFYSA-N 1 2 283.375 3.119 20 30 CGEDLO CCC#C[C@@H](C)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC001559659124 938231976 /nfs/dbraw/zinc/23/19/76/938231976.db2.gz AXRAISLAZLEMGS-CYBMUJFWSA-N 1 2 294.801 3.403 20 30 CGEDLO C=CC[N@@H+](CCCF)[C@H](Cc1ccccc1)C(=O)OCC ZINC001559751913 938234653 /nfs/dbraw/zinc/23/46/53/938234653.db2.gz OFQMGQVVSAFPOQ-MRXNPFEDSA-N 1 2 293.382 3.008 20 30 CGEDLO C=CC[N@H+](CCCF)[C@H](Cc1ccccc1)C(=O)OCC ZINC001559751913 938234654 /nfs/dbraw/zinc/23/46/54/938234654.db2.gz OFQMGQVVSAFPOQ-MRXNPFEDSA-N 1 2 293.382 3.008 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001559973261 938240726 /nfs/dbraw/zinc/24/07/26/938240726.db2.gz HUCDLGVDRDZMNP-SJORKVTESA-N 1 2 275.367 3.067 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001559973261 938240727 /nfs/dbraw/zinc/24/07/27/938240727.db2.gz HUCDLGVDRDZMNP-SJORKVTESA-N 1 2 275.367 3.067 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001560206467 938247049 /nfs/dbraw/zinc/24/70/49/938247049.db2.gz YXRSVBHYTQTAFG-CYBMUJFWSA-N 1 2 279.767 3.399 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001560206467 938247050 /nfs/dbraw/zinc/24/70/50/938247050.db2.gz YXRSVBHYTQTAFG-CYBMUJFWSA-N 1 2 279.767 3.399 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001560208754 938247421 /nfs/dbraw/zinc/24/74/21/938247421.db2.gz GIEHXOGLOVEAEI-CYBMUJFWSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001560208754 938247422 /nfs/dbraw/zinc/24/74/22/938247422.db2.gz GIEHXOGLOVEAEI-CYBMUJFWSA-N 1 2 290.794 3.075 20 30 CGEDLO Cc1ccc2[nH+]c(NCc3cc(C#N)cs3)[nH]c2c1 ZINC001560569876 938263401 /nfs/dbraw/zinc/26/34/01/938263401.db2.gz MBSZFRZXDSUPPQ-UHFFFAOYSA-N 1 2 268.345 3.417 20 30 CGEDLO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H](C)CC#N ZINC001560574443 938263511 /nfs/dbraw/zinc/26/35/11/938263511.db2.gz CVCLSZYZZITYIF-ZDUSSCGKSA-N 1 2 282.391 3.189 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccc(F)cc1 ZINC001560852675 938279378 /nfs/dbraw/zinc/27/93/78/938279378.db2.gz LKMXCHOYFNNHMX-QGZVFWFLSA-N 1 2 287.309 3.438 20 30 CGEDLO Fc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000299809365 957709066 /nfs/dbraw/zinc/70/90/66/957709066.db2.gz NNQDPQFGGBVGRR-UHFFFAOYSA-N 1 2 265.291 3.242 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2ccc(C#N)cc2N)c1 ZINC001244091510 960417136 /nfs/dbraw/zinc/41/71/36/960417136.db2.gz YVHHIHMOPLZIQH-UHFFFAOYSA-N 1 2 274.327 3.208 20 30 CGEDLO N#Cc1ccc(-c2ccc(-c3[nH]cc[nH+]3)cc2)c(N)c1 ZINC001244091500 960418251 /nfs/dbraw/zinc/41/82/51/960418251.db2.gz YEHZDWLUSUAUBT-UHFFFAOYSA-N 1 2 260.300 3.198 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(CCC)CCC1 ZINC001570730079 962053058 /nfs/dbraw/zinc/05/30/58/962053058.db2.gz ISBICKDPZWRGCK-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(CCC)CCC1 ZINC001570730079 962053076 /nfs/dbraw/zinc/05/30/76/962053076.db2.gz ISBICKDPZWRGCK-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccc(C#N)cc1 ZINC000337558369 214155977 /nfs/dbraw/zinc/15/59/77/214155977.db2.gz SPZZPEFAHFZUIQ-LBPRGKRZSA-N 1 2 250.292 3.397 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)Cc1nccnc1C ZINC000621713762 349560748 /nfs/dbraw/zinc/56/07/48/349560748.db2.gz VWDVSXNEXSTEAA-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1nccnc1C ZINC000621713762 349560752 /nfs/dbraw/zinc/56/07/52/349560752.db2.gz VWDVSXNEXSTEAA-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO CC[N@H+](Cc1coc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604904 346855134 /nfs/dbraw/zinc/85/51/34/346855134.db2.gz RLXSWNSXKCSWSG-LBPRGKRZSA-N 1 2 269.348 3.438 20 30 CGEDLO CC[N@@H+](Cc1coc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604904 346855135 /nfs/dbraw/zinc/85/51/35/346855135.db2.gz RLXSWNSXKCSWSG-LBPRGKRZSA-N 1 2 269.348 3.438 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(N3CC[C@@](F)(C#N)C3)c2c1 ZINC000590698809 346864868 /nfs/dbraw/zinc/86/48/68/346864868.db2.gz ZBQWSQLPVLPSEV-QGZVFWFLSA-N 1 2 299.349 3.464 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000590711797 346866319 /nfs/dbraw/zinc/86/63/19/346866319.db2.gz NXVIIRZBMSZELR-JTQLQIEISA-N 1 2 250.292 3.309 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000590759682 346872239 /nfs/dbraw/zinc/87/22/39/346872239.db2.gz HFPYESBIDWQWOW-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000590759682 346872240 /nfs/dbraw/zinc/87/22/40/346872240.db2.gz HFPYESBIDWQWOW-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCc1cnccc1[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329139211 529678836 /nfs/dbraw/zinc/67/88/36/529678836.db2.gz FDIQKNFVCOGBNX-JSGCOSHPSA-N 1 2 298.390 3.121 20 30 CGEDLO COc1cc2cc[nH+]cc2cc1OC[C@@H](C#N)CCC#N ZINC000573395559 334935095 /nfs/dbraw/zinc/93/50/95/334935095.db2.gz RPEHPXJRLJUPJO-GFCCVEGCSA-N 1 2 281.315 3.066 20 30 CGEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152150 346967713 /nfs/dbraw/zinc/96/77/13/346967713.db2.gz UYTKVDBQYQEOKJ-QMTHXVAHSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152150 346967715 /nfs/dbraw/zinc/96/77/15/346967715.db2.gz UYTKVDBQYQEOKJ-QMTHXVAHSA-N 1 2 299.201 3.405 20 30 CGEDLO N#Cc1cnccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000592116858 346964073 /nfs/dbraw/zinc/96/40/73/346964073.db2.gz QXVZKTVCQXXFDF-UHFFFAOYSA-N 1 2 295.361 3.414 20 30 CGEDLO CC(C)Oc1cc[nH+]c(CN2CCCC(C)(C)[C@H]2C#N)c1 ZINC000593026812 347029371 /nfs/dbraw/zinc/02/93/71/347029371.db2.gz GIERATGKUVODOC-MRXNPFEDSA-N 1 2 287.407 3.383 20 30 CGEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000593047018 347032048 /nfs/dbraw/zinc/03/20/48/347032048.db2.gz VRDCCPNSECVOEP-RHSMWYFYSA-N 1 2 285.366 3.233 20 30 CGEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000593047018 347032049 /nfs/dbraw/zinc/03/20/49/347032049.db2.gz VRDCCPNSECVOEP-RHSMWYFYSA-N 1 2 285.366 3.233 20 30 CGEDLO C[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437434962 530013216 /nfs/dbraw/zinc/01/32/16/530013216.db2.gz SLWJUVSODDCGDN-UHFFFAOYSA-N 1 2 292.285 3.385 20 30 CGEDLO C[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437434962 530013217 /nfs/dbraw/zinc/01/32/17/530013217.db2.gz SLWJUVSODDCGDN-UHFFFAOYSA-N 1 2 292.285 3.385 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000593393391 347070320 /nfs/dbraw/zinc/07/03/20/347070320.db2.gz BSLWXIMPMMTINW-SNVBAGLBSA-N 1 2 284.363 3.349 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029533309 344918193 /nfs/dbraw/zinc/91/81/93/344918193.db2.gz GKLSHGUTSWOGNX-GOSISDBHSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000029533309 344918195 /nfs/dbraw/zinc/91/81/95/344918195.db2.gz GKLSHGUTSWOGNX-GOSISDBHSA-N 1 2 278.355 3.132 20 30 CGEDLO Cc1ccnc(NCCCc2[nH+]cccc2C)c1C#N ZINC000295093798 199341164 /nfs/dbraw/zinc/34/11/64/199341164.db2.gz ZQNKBGIRFBXRRS-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cccc2ccccc21 ZINC000064954254 345267319 /nfs/dbraw/zinc/26/73/19/345267319.db2.gz WZJNWWQYZDEVGB-AWEZNQCLSA-N 1 2 268.360 3.310 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cccc2ccccc21 ZINC000064954254 345267324 /nfs/dbraw/zinc/26/73/24/345267324.db2.gz WZJNWWQYZDEVGB-AWEZNQCLSA-N 1 2 268.360 3.310 20 30 CGEDLO C=CCOc1ccc(C[NH2+]Cc2cc(C)on2)cc1Cl ZINC000066989416 345311001 /nfs/dbraw/zinc/31/10/01/345311001.db2.gz UHOKGZYYUVRLTJ-UHFFFAOYSA-N 1 2 292.766 3.491 20 30 CGEDLO Cc1cccn2cc(CCNc3cccc(F)c3C#N)[nH+]c12 ZINC000080676006 345682796 /nfs/dbraw/zinc/68/27/96/345682796.db2.gz FCVRKWYZHGZZQJ-UHFFFAOYSA-N 1 2 294.333 3.308 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872266 345891665 /nfs/dbraw/zinc/89/16/65/345891665.db2.gz SBGIMZQMPZFVOW-ROUUACIJSA-N 1 2 291.354 3.423 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872266 345891666 /nfs/dbraw/zinc/89/16/66/345891666.db2.gz SBGIMZQMPZFVOW-ROUUACIJSA-N 1 2 291.354 3.423 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116281247 345977010 /nfs/dbraw/zinc/97/70/10/345977010.db2.gz AVGNBVZKUGILSH-UHFFFAOYSA-N 1 2 266.728 3.422 20 30 CGEDLO N#CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CCCC1 ZINC000229316547 346316987 /nfs/dbraw/zinc/31/69/87/346316987.db2.gz PYPYCEPNTHFCBM-HNNXBMFYSA-N 1 2 262.397 3.246 20 30 CGEDLO N#CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CCCC1 ZINC000229316547 346316989 /nfs/dbraw/zinc/31/69/89/346316989.db2.gz PYPYCEPNTHFCBM-HNNXBMFYSA-N 1 2 262.397 3.246 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](CC)CO1 ZINC000403861244 346598381 /nfs/dbraw/zinc/59/83/81/346598381.db2.gz ZJNRQRLUSYVCNV-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](CC)CO1 ZINC000403861244 346598382 /nfs/dbraw/zinc/59/83/82/346598382.db2.gz ZJNRQRLUSYVCNV-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+]2CCCC(F)(F)C2)c1 ZINC000404828610 346601918 /nfs/dbraw/zinc/60/19/18/346601918.db2.gz HIFSSAYOZLAHAH-UHFFFAOYSA-N 1 2 280.318 3.058 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC(F)(F)C2)c1 ZINC000404828610 346601920 /nfs/dbraw/zinc/60/19/20/346601920.db2.gz HIFSSAYOZLAHAH-UHFFFAOYSA-N 1 2 280.318 3.058 20 30 CGEDLO CC(C)(C)OC(=O)C[N@H+](CCC(C)(C)C#N)C1CCC1 ZINC000594056590 347146261 /nfs/dbraw/zinc/14/62/61/347146261.db2.gz XCANITTWWJEWEM-UHFFFAOYSA-N 1 2 280.412 3.122 20 30 CGEDLO CC(C)(C)OC(=O)C[N@@H+](CCC(C)(C)C#N)C1CCC1 ZINC000594056590 347146264 /nfs/dbraw/zinc/14/62/64/347146264.db2.gz XCANITTWWJEWEM-UHFFFAOYSA-N 1 2 280.412 3.122 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594734652 347214912 /nfs/dbraw/zinc/21/49/12/347214912.db2.gz CCLQRGAZZPTEKM-UHFFFAOYSA-N 1 2 288.354 3.315 20 30 CGEDLO COc1ccc[nH+]c1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594934005 347234306 /nfs/dbraw/zinc/23/43/06/347234306.db2.gz CHHXWVULQGVAOR-UHFFFAOYSA-N 1 2 279.343 3.257 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)nc(C)n1 ZINC000595296390 347288544 /nfs/dbraw/zinc/28/85/44/347288544.db2.gz CISDIAPIKRCGTN-UHFFFAOYSA-N 1 2 292.386 3.153 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)nc(C)n1 ZINC000595296390 347288547 /nfs/dbraw/zinc/28/85/47/347288547.db2.gz CISDIAPIKRCGTN-UHFFFAOYSA-N 1 2 292.386 3.153 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)CC2CC2)c1Cl ZINC000595332634 347293908 /nfs/dbraw/zinc/29/39/08/347293908.db2.gz LFEJLCXSIAYTBJ-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)CC2CC2)c1Cl ZINC000595332634 347293910 /nfs/dbraw/zinc/29/39/10/347293910.db2.gz LFEJLCXSIAYTBJ-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)[C@H](C)C#N ZINC000595813878 347358483 /nfs/dbraw/zinc/35/84/83/347358483.db2.gz XOJFACBSUZLDMK-OAHLLOKOSA-N 1 2 287.407 3.256 20 30 CGEDLO CC[N@@H+](CCCC(=O)Nc1c(C)cccc1C)[C@H](C)C#N ZINC000595813878 347358486 /nfs/dbraw/zinc/35/84/86/347358486.db2.gz XOJFACBSUZLDMK-OAHLLOKOSA-N 1 2 287.407 3.256 20 30 CGEDLO C[C@@H](C#N)[N@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000595708996 347344192 /nfs/dbraw/zinc/34/41/92/347344192.db2.gz BAJCIVACQCKWJT-KBPBESRZSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000595708996 347344193 /nfs/dbraw/zinc/34/41/93/347344193.db2.gz BAJCIVACQCKWJT-KBPBESRZSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@H](C#N)[N@H+](CC[C@H]1CCc2ccccc21)C1CC1 ZINC000595711356 347344999 /nfs/dbraw/zinc/34/49/99/347344999.db2.gz ZHBWYHJWSBVQAS-UKRRQHHQSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@H](C#N)[N@@H+](CC[C@H]1CCc2ccccc21)C1CC1 ZINC000595711356 347345002 /nfs/dbraw/zinc/34/50/02/347345002.db2.gz ZHBWYHJWSBVQAS-UKRRQHHQSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000595837478 347364578 /nfs/dbraw/zinc/36/45/78/347364578.db2.gz HQJWUFJFFSAWGO-CQSZACIVSA-N 1 2 266.747 3.257 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000595837478 347364580 /nfs/dbraw/zinc/36/45/80/347364580.db2.gz HQJWUFJFFSAWGO-CQSZACIVSA-N 1 2 266.747 3.257 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841039 347365730 /nfs/dbraw/zinc/36/57/30/347365730.db2.gz UPSKQGBIWYFUMV-MRXNPFEDSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841039 347365734 /nfs/dbraw/zinc/36/57/34/347365734.db2.gz UPSKQGBIWYFUMV-MRXNPFEDSA-N 1 2 258.365 3.209 20 30 CGEDLO N#CC[C@@H]1CCCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000596325320 347417705 /nfs/dbraw/zinc/41/77/05/347417705.db2.gz JMYAGJKKWUPQGI-AWEZNQCLSA-N 1 2 293.374 3.350 20 30 CGEDLO Cc1cc(N2CCC[C@@H]([C@H]3CCCCO3)C2)c(C#N)c[nH+]1 ZINC000596497717 347468948 /nfs/dbraw/zinc/46/89/48/347468948.db2.gz CDRJEFIXWXJVDW-RHSMWYFYSA-N 1 2 285.391 3.047 20 30 CGEDLO N#CCC1C[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000597202735 347553258 /nfs/dbraw/zinc/55/32/58/347553258.db2.gz BMGGLIXZHDJXRM-UHFFFAOYSA-N 1 2 266.747 3.257 20 30 CGEDLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597230852 347558336 /nfs/dbraw/zinc/55/83/36/347558336.db2.gz UIGRRRUEWNDVBO-AWEZNQCLSA-N 1 2 263.410 3.176 20 30 CGEDLO CC(C)(C)c1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597230852 347558338 /nfs/dbraw/zinc/55/83/38/347558338.db2.gz UIGRRRUEWNDVBO-AWEZNQCLSA-N 1 2 263.410 3.176 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597230930 347558610 /nfs/dbraw/zinc/55/86/10/347558610.db2.gz VALRTWDCGCTJAS-QGZVFWFLSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597230930 347558611 /nfs/dbraw/zinc/55/86/11/347558611.db2.gz VALRTWDCGCTJAS-QGZVFWFLSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000597230114 347559122 /nfs/dbraw/zinc/55/91/22/347559122.db2.gz PUIITDRGHHNNJI-OAHLLOKOSA-N 1 2 258.296 3.307 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000597230114 347559124 /nfs/dbraw/zinc/55/91/24/347559124.db2.gz PUIITDRGHHNNJI-OAHLLOKOSA-N 1 2 258.296 3.307 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000597232765 347559895 /nfs/dbraw/zinc/55/98/95/347559895.db2.gz WZZOUELXOHDGGD-CQSZACIVSA-N 1 2 284.281 3.163 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000597232765 347559898 /nfs/dbraw/zinc/55/98/98/347559898.db2.gz WZZOUELXOHDGGD-CQSZACIVSA-N 1 2 284.281 3.163 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000597231999 347560172 /nfs/dbraw/zinc/56/01/72/347560172.db2.gz QGQVUKDPIPSERR-OAHLLOKOSA-N 1 2 286.404 3.009 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000597231999 347560174 /nfs/dbraw/zinc/56/01/74/347560174.db2.gz QGQVUKDPIPSERR-OAHLLOKOSA-N 1 2 286.404 3.009 20 30 CGEDLO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000598595018 347668249 /nfs/dbraw/zinc/66/82/49/347668249.db2.gz LOJKCJFMZZDCEE-AWEZNQCLSA-N 1 2 296.361 3.054 20 30 CGEDLO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000598595018 347668253 /nfs/dbraw/zinc/66/82/53/347668253.db2.gz LOJKCJFMZZDCEE-AWEZNQCLSA-N 1 2 296.361 3.054 20 30 CGEDLO CC[N@@H+](Cc1ccc(F)c(F)c1N(C)C)C[C@@H](C)C#N ZINC000600111986 347780288 /nfs/dbraw/zinc/78/02/88/347780288.db2.gz IOCZATZETKLLJF-NSHDSACASA-N 1 2 281.350 3.012 20 30 CGEDLO CC[N@H+](Cc1ccc(F)c(F)c1N(C)C)C[C@@H](C)C#N ZINC000600111986 347780290 /nfs/dbraw/zinc/78/02/90/347780290.db2.gz IOCZATZETKLLJF-NSHDSACASA-N 1 2 281.350 3.012 20 30 CGEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1cccc(C#N)c1 ZINC000600115490 347780972 /nfs/dbraw/zinc/78/09/72/347780972.db2.gz RWNVAIRESXNFAA-UHFFFAOYSA-N 1 2 280.375 3.086 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000600602690 347813144 /nfs/dbraw/zinc/81/31/44/347813144.db2.gz WRFIJWRUWIWDFE-CQSZACIVSA-N 1 2 279.355 3.232 20 30 CGEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)ncc1Br ZINC000600169589 347788379 /nfs/dbraw/zinc/78/83/79/347788379.db2.gz NXBZXHMVZUYBOP-UHFFFAOYSA-N 1 2 296.212 3.134 20 30 CGEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)ncc1Br ZINC000600169589 347788381 /nfs/dbraw/zinc/78/83/81/347788381.db2.gz NXBZXHMVZUYBOP-UHFFFAOYSA-N 1 2 296.212 3.134 20 30 CGEDLO N#Cc1cc(F)ccc1-c1ccc(NC[C@H]2CCCO2)[nH+]c1 ZINC000600789568 347836396 /nfs/dbraw/zinc/83/63/96/347836396.db2.gz SIAKSVHBRGBKCD-OAHLLOKOSA-N 1 2 297.333 3.350 20 30 CGEDLO Cc1scc(CNc2cc(CC#N)cc[nH+]2)c1C ZINC000601066600 347862137 /nfs/dbraw/zinc/86/21/37/347862137.db2.gz MMXOZTXTUOXXCY-UHFFFAOYSA-N 1 2 257.362 3.438 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602436445 347957337 /nfs/dbraw/zinc/95/73/37/347957337.db2.gz OLUCHQYTBHBECU-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602436445 347957339 /nfs/dbraw/zinc/95/73/39/347957339.db2.gz OLUCHQYTBHBECU-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO COCC[N@H+](CCC#N)[C@H](C)c1cc(C)c(OC)cc1C ZINC000602464572 347961964 /nfs/dbraw/zinc/96/19/64/347961964.db2.gz FKVUKYROHCQZLE-OAHLLOKOSA-N 1 2 290.407 3.235 20 30 CGEDLO COCC[N@@H+](CCC#N)[C@H](C)c1cc(C)c(OC)cc1C ZINC000602464572 347961967 /nfs/dbraw/zinc/96/19/67/347961967.db2.gz FKVUKYROHCQZLE-OAHLLOKOSA-N 1 2 290.407 3.235 20 30 CGEDLO CC(C)CCN(CCC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602466067 347963040 /nfs/dbraw/zinc/96/30/40/347963040.db2.gz VZIHUDVWTGVEJU-OAHLLOKOSA-N 1 2 274.412 3.133 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)[C@@H](c1nccn1C)C1CC1 ZINC000602466067 347963041 /nfs/dbraw/zinc/96/30/41/347963041.db2.gz VZIHUDVWTGVEJU-OAHLLOKOSA-N 1 2 274.412 3.133 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)[C@@H](c1nccn1C)C1CC1 ZINC000602466067 347963042 /nfs/dbraw/zinc/96/30/42/347963042.db2.gz VZIHUDVWTGVEJU-OAHLLOKOSA-N 1 2 274.412 3.133 20 30 CGEDLO COCCc1ncc(C[N@H+](CCC#N)CCC(C)C)s1 ZINC000602466683 347963112 /nfs/dbraw/zinc/96/31/12/347963112.db2.gz ZJBXTUFWKQAJFC-UHFFFAOYSA-N 1 2 295.452 3.094 20 30 CGEDLO COCCc1ncc(C[N@@H+](CCC#N)CCC(C)C)s1 ZINC000602466683 347963113 /nfs/dbraw/zinc/96/31/13/347963113.db2.gz ZJBXTUFWKQAJFC-UHFFFAOYSA-N 1 2 295.452 3.094 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000602481561 347965645 /nfs/dbraw/zinc/96/56/45/347965645.db2.gz GHPKFAPOQHEZFJ-HOTGVXAUSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC000602481561 347965647 /nfs/dbraw/zinc/96/56/47/347965647.db2.gz GHPKFAPOQHEZFJ-HOTGVXAUSA-N 1 2 283.400 3.415 20 30 CGEDLO N#Cc1cccc(C[NH+]2CC(Cc3ccccc3Cl)C2)n1 ZINC000602665537 348004167 /nfs/dbraw/zinc/00/41/67/348004167.db2.gz KJZFUJUQSOWCCM-UHFFFAOYSA-N 1 2 297.789 3.281 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2ccccc2n1C ZINC000602671424 348005758 /nfs/dbraw/zinc/00/57/58/348005758.db2.gz KOEALJBXUIKZNH-UHFFFAOYSA-N 1 2 253.349 3.080 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2ccccc2n1C ZINC000602671424 348005761 /nfs/dbraw/zinc/00/57/61/348005761.db2.gz KOEALJBXUIKZNH-UHFFFAOYSA-N 1 2 253.349 3.080 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(F)F)nc1)C2 ZINC000602712963 348015762 /nfs/dbraw/zinc/01/57/62/348015762.db2.gz WYEVYXXCXFVQNU-UHFFFAOYSA-N 1 2 285.297 3.407 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(F)F)nc1)C2 ZINC000602712963 348015764 /nfs/dbraw/zinc/01/57/64/348015764.db2.gz WYEVYXXCXFVQNU-UHFFFAOYSA-N 1 2 285.297 3.407 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000602981563 348050971 /nfs/dbraw/zinc/05/09/71/348050971.db2.gz GEJLJSZBLYSMOZ-CHWSQXEVSA-N 1 2 261.369 3.060 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000602981563 348050974 /nfs/dbraw/zinc/05/09/74/348050974.db2.gz GEJLJSZBLYSMOZ-CHWSQXEVSA-N 1 2 261.369 3.060 20 30 CGEDLO COc1ccc(-c2cc(C[N@H+](C)[C@@H](C)CC#N)on2)cc1 ZINC000609449208 348344571 /nfs/dbraw/zinc/34/45/71/348344571.db2.gz GEIURCZAXNDWJW-LBPRGKRZSA-N 1 2 285.347 3.084 20 30 CGEDLO COc1ccc(-c2cc(C[N@@H+](C)[C@@H](C)CC#N)on2)cc1 ZINC000609449208 348344573 /nfs/dbraw/zinc/34/45/73/348344573.db2.gz GEIURCZAXNDWJW-LBPRGKRZSA-N 1 2 285.347 3.084 20 30 CGEDLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000610344010 348377087 /nfs/dbraw/zinc/37/70/87/348377087.db2.gz YJKDISRCIHQKQG-NWDGAFQWSA-N 1 2 284.363 3.476 20 30 CGEDLO C=CC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1F ZINC000610992013 348414964 /nfs/dbraw/zinc/41/49/64/348414964.db2.gz ZCQDOXDQVOXMRD-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1F ZINC000610992013 348414968 /nfs/dbraw/zinc/41/49/68/348414968.db2.gz ZCQDOXDQVOXMRD-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)CO1 ZINC000610719837 348398837 /nfs/dbraw/zinc/39/88/37/348398837.db2.gz QKFPCHQPGQOXQD-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)CO1 ZINC000610719837 348398840 /nfs/dbraw/zinc/39/88/40/348398840.db2.gz QKFPCHQPGQOXQD-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCc2cccc(F)c2F)C1 ZINC000612158223 348497636 /nfs/dbraw/zinc/49/76/36/348497636.db2.gz INFWUHVSUIWOMN-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000612158223 348497638 /nfs/dbraw/zinc/49/76/38/348497638.db2.gz INFWUHVSUIWOMN-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000612159509 348497748 /nfs/dbraw/zinc/49/77/48/348497748.db2.gz VRXSADXKPNCLTG-GOSISDBHSA-N 1 2 294.402 3.057 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000612159509 348497751 /nfs/dbraw/zinc/49/77/51/348497751.db2.gz VRXSADXKPNCLTG-GOSISDBHSA-N 1 2 294.402 3.057 20 30 CGEDLO C[C@@]1(C#N)CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000612167739 348499088 /nfs/dbraw/zinc/49/90/88/348499088.db2.gz WEXGGDIAVRGRSX-HNNXBMFYSA-N 1 2 288.782 3.113 20 30 CGEDLO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612165638 348499372 /nfs/dbraw/zinc/49/93/72/348499372.db2.gz ONELIIUBBPPASN-WBMJQRKESA-N 1 2 290.363 3.061 20 30 CGEDLO COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612165638 348499374 /nfs/dbraw/zinc/49/93/74/348499374.db2.gz ONELIIUBBPPASN-WBMJQRKESA-N 1 2 290.363 3.061 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000612406342 348517478 /nfs/dbraw/zinc/51/74/78/348517478.db2.gz KHUCZKVEDFYUGH-OUOZUETKSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000612406342 348517480 /nfs/dbraw/zinc/51/74/80/348517480.db2.gz KHUCZKVEDFYUGH-OUOZUETKSA-N 1 2 285.347 3.234 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000612407136 348518013 /nfs/dbraw/zinc/51/80/13/348518013.db2.gz ZIDJOZCZOJKTAY-OAHLLOKOSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000612407136 348518015 /nfs/dbraw/zinc/51/80/15/348518015.db2.gz ZIDJOZCZOJKTAY-OAHLLOKOSA-N 1 2 273.336 3.029 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000612890756 348552842 /nfs/dbraw/zinc/55/28/42/348552842.db2.gz MBIWUVVOKZDSFT-NSHDSACASA-N 1 2 296.773 3.480 20 30 CGEDLO Cc1cccc2c(NCC(C)(C)C#N)c(C)c[nH+]c12 ZINC000613183143 348572367 /nfs/dbraw/zinc/57/23/67/348572367.db2.gz UXSVYBPMYULUPE-UHFFFAOYSA-N 1 2 253.349 3.235 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000614402424 348673896 /nfs/dbraw/zinc/67/38/96/348673896.db2.gz XNNCWQFLZJMCTN-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000614402424 348673898 /nfs/dbraw/zinc/67/38/98/348673898.db2.gz XNNCWQFLZJMCTN-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000619428805 349248999 /nfs/dbraw/zinc/24/89/99/349248999.db2.gz SIZITIDWZNJJGQ-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000619428805 349249002 /nfs/dbraw/zinc/24/90/02/349249002.db2.gz SIZITIDWZNJJGQ-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO C=C[C@H]([NH2+][C@H](C)CCC1CCCCC1)C(=O)OC ZINC000619701393 349276384 /nfs/dbraw/zinc/27/63/84/349276384.db2.gz HFVKSBFJIPJXKC-OCCSQVGLSA-N 1 2 253.386 3.053 20 30 CGEDLO C=C[C@H]([NH2+]CCCc1ccc(C(C)C)cc1)C(=O)OC ZINC000619701217 349276452 /nfs/dbraw/zinc/27/64/52/349276452.db2.gz BDNLVZUDNBBIQH-INIZCTEOSA-N 1 2 275.392 3.060 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)no1 ZINC000619704961 349277110 /nfs/dbraw/zinc/27/71/10/349277110.db2.gz WMVCQWJMZZDUPN-NWDGAFQWSA-N 1 2 255.321 3.267 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000620863246 349430849 /nfs/dbraw/zinc/43/08/49/349430849.db2.gz LQVFODYSOSAKAV-UHFFFAOYSA-N 1 2 283.375 3.347 20 30 CGEDLO C=C1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625156598 350134406 /nfs/dbraw/zinc/13/44/06/350134406.db2.gz UNAGLTGYHDVPLO-UHFFFAOYSA-N 1 2 272.323 3.142 20 30 CGEDLO C=CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636140547 351724994 /nfs/dbraw/zinc/72/49/94/351724994.db2.gz XZLFXQGOPDRFEZ-OAHLLOKOSA-N 1 2 277.412 3.333 20 30 CGEDLO CCC[N@H+](Cc1cn[nH]c1C)Cc1ccc(C#N)cc1 ZINC000119278861 370661644 /nfs/dbraw/zinc/66/16/44/370661644.db2.gz HATPVVFNANGEAR-UHFFFAOYSA-N 1 2 268.364 3.002 20 30 CGEDLO CCC[N@@H+](Cc1cn[nH]c1C)Cc1ccc(C#N)cc1 ZINC000119278861 370661647 /nfs/dbraw/zinc/66/16/47/370661647.db2.gz HATPVVFNANGEAR-UHFFFAOYSA-N 1 2 268.364 3.002 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ncc(C#N)cc1F ZINC000413276673 235265423 /nfs/dbraw/zinc/26/54/23/235265423.db2.gz WMIZKTQUSWEVJX-CQSZACIVSA-N 1 2 299.353 3.040 20 30 CGEDLO Cc1cc(NC[C@H]2CCCC[C@H]2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425231010 236221153 /nfs/dbraw/zinc/22/11/53/236221153.db2.gz MLQNQTJLEJNZMC-DGCLKSJQSA-N 1 2 297.324 3.464 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(C(F)F)n1 ZINC000425364744 236237813 /nfs/dbraw/zinc/23/78/13/236237813.db2.gz HMDZQHGINYQRHX-LLVKDONJSA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C(F)F)n1 ZINC000425364744 236237815 /nfs/dbraw/zinc/23/78/15/236237815.db2.gz HMDZQHGINYQRHX-LLVKDONJSA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336229303 213058602 /nfs/dbraw/zinc/05/86/02/213058602.db2.gz ZDQIYNGZXBCGNN-DTWKUNHWSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000336229303 213058605 /nfs/dbraw/zinc/05/86/05/213058605.db2.gz ZDQIYNGZXBCGNN-DTWKUNHWSA-N 1 2 289.326 3.178 20 30 CGEDLO Cc1cc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1C#N ZINC000336208853 213031452 /nfs/dbraw/zinc/03/14/52/213031452.db2.gz RZQAGIGIRGDNPW-MRXNPFEDSA-N 1 2 294.402 3.183 20 30 CGEDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccccc2C#N)o1 ZINC000179093330 189168972 /nfs/dbraw/zinc/16/89/72/189168972.db2.gz XPIBBFKWXCTZIR-MRXNPFEDSA-N 1 2 284.359 3.191 20 30 CGEDLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000301461586 201018164 /nfs/dbraw/zinc/01/81/64/201018164.db2.gz UPSWPQUYDWPPAN-LLVKDONJSA-N 1 2 264.332 3.399 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)s1 ZINC000181926412 189310485 /nfs/dbraw/zinc/31/04/85/189310485.db2.gz YPWPHRVINBDLSU-OAHLLOKOSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)s1 ZINC000181926412 189310486 /nfs/dbraw/zinc/31/04/86/189310486.db2.gz YPWPHRVINBDLSU-OAHLLOKOSA-N 1 2 298.411 3.063 20 30 CGEDLO Cc1nsc(NCc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000342419814 216347541 /nfs/dbraw/zinc/34/75/41/216347541.db2.gz VQSJSLWEBISNLE-UHFFFAOYSA-N 1 2 295.371 3.121 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000451117850 240221283 /nfs/dbraw/zinc/22/12/83/240221283.db2.gz WMWHJNMIZQVRBA-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000451117850 240221285 /nfs/dbraw/zinc/22/12/85/240221285.db2.gz WMWHJNMIZQVRBA-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1nc2ccccc2o1 ZINC000331827101 299378230 /nfs/dbraw/zinc/37/82/30/299378230.db2.gz XLYVHECRNYFNCN-QJPTWQEYSA-N 1 2 255.321 3.171 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000121571628 370873986 /nfs/dbraw/zinc/87/39/86/370873986.db2.gz LLRYRVFTNHKBND-UHFFFAOYSA-N 1 2 290.388 3.142 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000121571628 370873993 /nfs/dbraw/zinc/87/39/93/370873993.db2.gz LLRYRVFTNHKBND-UHFFFAOYSA-N 1 2 290.388 3.142 20 30 CGEDLO C=CC[N@@H+](Cc1ccnn1CC)Cc1ccc(OC)cc1 ZINC000125400004 370937110 /nfs/dbraw/zinc/93/71/10/370937110.db2.gz NQDKZTNKVRRIBD-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO C=CC[N@H+](Cc1ccnn1CC)Cc1ccc(OC)cc1 ZINC000125400004 370937114 /nfs/dbraw/zinc/93/71/14/370937114.db2.gz NQDKZTNKVRRIBD-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO N#Cc1ccc(OCCSc2[nH+]cc3ccccn32)cc1 ZINC000029618060 368898141 /nfs/dbraw/zinc/89/81/41/368898141.db2.gz QHWWSVKZKTVFLZ-UHFFFAOYSA-N 1 2 295.367 3.377 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000054180963 369496969 /nfs/dbraw/zinc/49/69/69/369496969.db2.gz QPVGVTVCCUSSGH-QMMMGPOBSA-N 1 2 274.698 3.191 20 30 CGEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C#N)CC1 ZINC000057906801 369550501 /nfs/dbraw/zinc/55/05/01/369550501.db2.gz KMUOROQVDXMSCF-LBPRGKRZSA-N 1 2 282.347 3.033 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1cccc(Br)c1 ZINC000063088280 369637861 /nfs/dbraw/zinc/63/78/61/369637861.db2.gz HIFYXNIWFUJIJZ-LLVKDONJSA-N 1 2 297.196 3.062 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cccc(Br)c1 ZINC000063088280 369637864 /nfs/dbraw/zinc/63/78/64/369637864.db2.gz HIFYXNIWFUJIJZ-LLVKDONJSA-N 1 2 297.196 3.062 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)cc1C ZINC000072938867 369844887 /nfs/dbraw/zinc/84/48/87/369844887.db2.gz ZZUQSBJFEDZXEU-UHFFFAOYSA-N 1 2 278.783 3.261 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)ccc1F ZINC000091891472 370076956 /nfs/dbraw/zinc/07/69/56/370076956.db2.gz LTAIJNPGIWMLCN-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3cc(F)ccc3C2)ccc1F ZINC000091891472 370076962 /nfs/dbraw/zinc/07/69/62/370076962.db2.gz LTAIJNPGIWMLCN-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](CC)C[C@H](C)C#N ZINC000091983137 370086641 /nfs/dbraw/zinc/08/66/41/370086641.db2.gz IEHHQGTYJKQMJZ-CQSZACIVSA-N 1 2 258.365 3.233 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](CC)C[C@H](C)C#N ZINC000091983137 370086644 /nfs/dbraw/zinc/08/66/44/370086644.db2.gz IEHHQGTYJKQMJZ-CQSZACIVSA-N 1 2 258.365 3.233 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000092404613 370096663 /nfs/dbraw/zinc/09/66/63/370096663.db2.gz QYQCYWYLVSYXHS-UHFFFAOYSA-N 1 2 275.323 3.099 20 30 CGEDLO C=CC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000092404613 370096666 /nfs/dbraw/zinc/09/66/66/370096666.db2.gz QYQCYWYLVSYXHS-UHFFFAOYSA-N 1 2 275.323 3.099 20 30 CGEDLO N#CCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)CC1CC1 ZINC000093091598 370107805 /nfs/dbraw/zinc/10/78/05/370107805.db2.gz ZRGAOHQIDDLNNR-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)CC1CC1 ZINC000093091598 370107809 /nfs/dbraw/zinc/10/78/09/370107809.db2.gz ZRGAOHQIDDLNNR-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO Cc1cccn2c(CN(CCC#N)CCC(C)C)c[nH+]c12 ZINC000093100883 370109988 /nfs/dbraw/zinc/10/99/88/370109988.db2.gz JYWRCSBQGAKXCP-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccn2c(C[N@@H+](CCC#N)CCC(C)C)cnc12 ZINC000093100883 370109992 /nfs/dbraw/zinc/10/99/92/370109992.db2.gz JYWRCSBQGAKXCP-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccn2c(C[N@H+](CCC#N)CCC(C)C)cnc12 ZINC000093100883 370109999 /nfs/dbraw/zinc/10/99/99/370109999.db2.gz JYWRCSBQGAKXCP-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCc2ccccc2C1 ZINC000103138478 370320042 /nfs/dbraw/zinc/32/00/42/370320042.db2.gz LVJFAQZMPYNBGV-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCc2ccccc2C1 ZINC000103138478 370320048 /nfs/dbraw/zinc/32/00/48/370320048.db2.gz LVJFAQZMPYNBGV-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1F ZINC000109120335 370360723 /nfs/dbraw/zinc/36/07/23/370360723.db2.gz WDUIIPGQYQEDJF-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1F ZINC000109120335 370360730 /nfs/dbraw/zinc/36/07/30/370360730.db2.gz WDUIIPGQYQEDJF-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc2c1OCCO2 ZINC000109813201 370365669 /nfs/dbraw/zinc/36/56/69/370365669.db2.gz IBEIQJMEBPMWNX-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2c1OCCO2 ZINC000109813201 370365672 /nfs/dbraw/zinc/36/56/72/370365672.db2.gz IBEIQJMEBPMWNX-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103490791 370330477 /nfs/dbraw/zinc/33/04/77/370330477.db2.gz OHOHYXQOWDPOPQ-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103490791 370330486 /nfs/dbraw/zinc/33/04/86/370330486.db2.gz OHOHYXQOWDPOPQ-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000111617932 370401407 /nfs/dbraw/zinc/40/14/07/370401407.db2.gz IWQXXAWUYRNOPB-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000111617932 370401408 /nfs/dbraw/zinc/40/14/08/370401408.db2.gz IWQXXAWUYRNOPB-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000113357636 370472936 /nfs/dbraw/zinc/47/29/36/370472936.db2.gz GBBXCGKXQZFVLK-HNNXBMFYSA-N 1 2 296.374 3.306 20 30 CGEDLO CC(C)(C/[NH+]=C/c1ccc(O)c(O)c1O)c1cccs1 ZINC000114217641 370494412 /nfs/dbraw/zinc/49/44/12/370494412.db2.gz RFNATUSQNFAQKU-LZYBPNLTSA-N 1 2 291.372 3.262 20 30 CGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000130331921 371025541 /nfs/dbraw/zinc/02/55/41/371025541.db2.gz KRSNDYYXRYPYGD-NSHDSACASA-N 1 2 287.388 3.183 20 30 CGEDLO C=C[C@](C)(CC)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000288898322 371747008 /nfs/dbraw/zinc/74/70/08/371747008.db2.gz IEZREOIPWGKHIZ-OAHLLOKOSA-N 1 2 257.337 3.218 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)C(C)(C)C ZINC000290178998 371924357 /nfs/dbraw/zinc/92/43/57/371924357.db2.gz NPLFVZHQDYSKNG-MRVPVSSYSA-N 1 2 276.327 3.299 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158146193 372056626 /nfs/dbraw/zinc/05/66/26/372056626.db2.gz GQSKTFAVPYZLFD-UHFFFAOYSA-N 1 2 298.289 3.370 20 30 CGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(F)c1F ZINC000159439321 372144330 /nfs/dbraw/zinc/14/43/30/372144330.db2.gz ROFUKMIPDMGKDH-WDEREUQCSA-N 1 2 263.291 3.059 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000428418212 372195623 /nfs/dbraw/zinc/19/56/23/372195623.db2.gz KHLZTZHBONMRKF-GOEBONIOSA-N 1 2 275.392 3.462 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1Cl ZINC000428856460 372271173 /nfs/dbraw/zinc/27/11/73/372271173.db2.gz MSUHZSBWWWHCGR-UHFFFAOYSA-N 1 2 264.756 3.120 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1Cl ZINC000428856460 372271179 /nfs/dbraw/zinc/27/11/79/372271179.db2.gz MSUHZSBWWWHCGR-UHFFFAOYSA-N 1 2 264.756 3.120 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC000430089438 372382725 /nfs/dbraw/zinc/38/27/25/372382725.db2.gz NIOLQCRDSAEQGH-UHFFFAOYSA-N 1 2 258.365 3.214 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC000430089438 372382731 /nfs/dbraw/zinc/38/27/31/372382731.db2.gz NIOLQCRDSAEQGH-UHFFFAOYSA-N 1 2 258.365 3.214 20 30 CGEDLO N#Cc1ccsc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162856095 372429911 /nfs/dbraw/zinc/42/99/11/372429911.db2.gz ZTEALOXNKQTZSV-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433307374 372587797 /nfs/dbraw/zinc/58/77/97/372587797.db2.gz VHELAIFWBHTSCX-ZDUSSCGKSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433307374 372587802 /nfs/dbraw/zinc/58/78/02/372587802.db2.gz VHELAIFWBHTSCX-ZDUSSCGKSA-N 1 2 287.407 3.058 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccc(C#N)cc3F)cn2c1 ZINC000170639848 372645363 /nfs/dbraw/zinc/64/53/63/372645363.db2.gz ILEWKCKKPJPYSS-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439448038 372978425 /nfs/dbraw/zinc/97/84/25/372978425.db2.gz ZGNGBVUNSQOKKG-UKRRQHHQSA-N 1 2 270.380 3.229 20 30 CGEDLO CCCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442840590 373100676 /nfs/dbraw/zinc/10/06/76/373100676.db2.gz LYGABFWYXQLFQM-RDBSUJKOSA-N 1 2 280.412 3.169 20 30 CGEDLO C=C[C@@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000301604416 373789306 /nfs/dbraw/zinc/78/93/06/373789306.db2.gz LUNGWABQDNFCJP-LLVKDONJSA-N 1 2 254.337 3.087 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000180734007 374040224 /nfs/dbraw/zinc/04/02/24/374040224.db2.gz KOGMTEIHWDWDRT-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180734007 374040236 /nfs/dbraw/zinc/04/02/36/374040236.db2.gz KOGMTEIHWDWDRT-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000450663238 374169203 /nfs/dbraw/zinc/16/92/03/374169203.db2.gz RQFJCLPJFPHDMA-JTQLQIEISA-N 1 2 250.292 3.309 20 30 CGEDLO CC(C)(CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000328910754 374392726 /nfs/dbraw/zinc/39/27/26/374392726.db2.gz FWDFRMUFNNVJKN-NSHDSACASA-N 1 2 261.369 3.050 20 30 CGEDLO CC(C)(CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000328910754 374392732 /nfs/dbraw/zinc/39/27/32/374392732.db2.gz FWDFRMUFNNVJKN-NSHDSACASA-N 1 2 261.369 3.050 20 30 CGEDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1CCC(=O)CC1 ZINC000329865681 374435589 /nfs/dbraw/zinc/43/55/89/374435589.db2.gz ALVPSXSJFHFOPC-UHFFFAOYSA-N 1 2 283.331 3.220 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000330463048 374468102 /nfs/dbraw/zinc/46/81/02/374468102.db2.gz ZJLCOXYBZWAFLU-UTUOFQBUSA-N 1 2 294.424 3.008 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)n1 ZINC000330463048 374468104 /nfs/dbraw/zinc/46/81/04/374468104.db2.gz ZJLCOXYBZWAFLU-UTUOFQBUSA-N 1 2 294.424 3.008 20 30 CGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000334218776 206207540 /nfs/dbraw/zinc/20/75/40/206207540.db2.gz YNNQPRQERSEVCU-MRXNPFEDSA-N 1 2 298.365 3.374 20 30 CGEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000334218776 206207542 /nfs/dbraw/zinc/20/75/42/206207542.db2.gz YNNQPRQERSEVCU-MRXNPFEDSA-N 1 2 298.365 3.374 20 30 CGEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000334149996 374651165 /nfs/dbraw/zinc/65/11/65/374651165.db2.gz IJBSVKFLNCNUCA-VIFPVBQESA-N 1 2 289.326 3.178 20 30 CGEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000334149996 374651168 /nfs/dbraw/zinc/65/11/68/374651168.db2.gz IJBSVKFLNCNUCA-VIFPVBQESA-N 1 2 289.326 3.178 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387976 374706621 /nfs/dbraw/zinc/70/66/21/374706621.db2.gz QACMSBCLIVOFFB-STQMWFEESA-N 1 2 265.360 3.218 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387976 374706626 /nfs/dbraw/zinc/70/66/26/374706626.db2.gz QACMSBCLIVOFFB-STQMWFEESA-N 1 2 265.360 3.218 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185722614 374722574 /nfs/dbraw/zinc/72/25/74/374722574.db2.gz TVWBCTIAPTYFTI-CVEARBPZSA-N 1 2 299.418 3.326 20 30 CGEDLO Fc1cccc2c1C[N@H+](CC#Cc1ccccc1)CC2 ZINC000484062636 375184570 /nfs/dbraw/zinc/18/45/70/375184570.db2.gz CXKNSWXAGRRADA-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO Fc1cccc2c1C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000484062636 375184580 /nfs/dbraw/zinc/18/45/80/375184580.db2.gz CXKNSWXAGRRADA-UHFFFAOYSA-N 1 2 265.331 3.236 20 30 CGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188281093 375189580 /nfs/dbraw/zinc/18/95/80/375189580.db2.gz UQOZQBBYDGUKOV-KRWDZBQOSA-N 1 2 299.374 3.040 20 30 CGEDLO C=C[C@](C)(CCOC)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000188281120 375190595 /nfs/dbraw/zinc/19/05/95/375190595.db2.gz UQOZQBBYDGUKOV-QGZVFWFLSA-N 1 2 299.374 3.040 20 30 CGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352492213 296228512 /nfs/dbraw/zinc/22/85/12/296228512.db2.gz WUYBGNMJBADKKU-JTQLQIEISA-N 1 2 268.282 3.353 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000574628707 335034656 /nfs/dbraw/zinc/03/46/56/335034656.db2.gz WREGJDNNYPCROO-LSDHHAIUSA-N 1 2 296.374 3.066 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000195435521 376104201 /nfs/dbraw/zinc/10/42/01/376104201.db2.gz NQHLQAIBXJYJQC-KBPBESRZSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000195435521 376104210 /nfs/dbraw/zinc/10/42/10/376104210.db2.gz NQHLQAIBXJYJQC-KBPBESRZSA-N 1 2 287.407 3.058 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000223516415 376256012 /nfs/dbraw/zinc/25/60/12/376256012.db2.gz VSKJNOPBSJAYLU-GFCCVEGCSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000223516415 376256015 /nfs/dbraw/zinc/25/60/15/376256015.db2.gz VSKJNOPBSJAYLU-GFCCVEGCSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccc(C#N)cc1 ZINC000338352248 376344561 /nfs/dbraw/zinc/34/45/61/376344561.db2.gz IIIQOWXEOBMEGL-LLVKDONJSA-N 1 2 294.314 3.052 20 30 CGEDLO CSc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000545218967 376800310 /nfs/dbraw/zinc/80/03/10/376800310.db2.gz BHWZMVWZDLNZPZ-UHFFFAOYSA-N 1 2 269.373 3.482 20 30 CGEDLO CC1(C#N)C[NH+](CCCSCc2ccccc2)C1 ZINC000571742524 377542562 /nfs/dbraw/zinc/54/25/62/377542562.db2.gz DZCNGSKPKXVRTB-UHFFFAOYSA-N 1 2 260.406 3.155 20 30 CGEDLO C=C[C@@H](CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1)c1ccccc1 ZINC000570169340 377534663 /nfs/dbraw/zinc/53/46/63/377534663.db2.gz ZJPAOHGHNNDCML-AWEZNQCLSA-N 1 2 297.402 3.429 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000573695347 377564452 /nfs/dbraw/zinc/56/44/52/377564452.db2.gz LRNHODPPQFQNSR-ZFWWWQNUSA-N 1 2 295.386 3.449 20 30 CGEDLO N#Cc1csc(CNc2ccc(-c3cncnc3)c[nH+]2)c1 ZINC000341419947 377558499 /nfs/dbraw/zinc/55/84/99/377558499.db2.gz HDLHANBNFYNADQ-UHFFFAOYSA-N 1 2 293.355 3.084 20 30 CGEDLO Cc1c[nH+]c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000342794639 377798268 /nfs/dbraw/zinc/79/82/68/377798268.db2.gz UVGHDLURYCXNMU-DLBZAZTESA-N 1 2 294.402 3.000 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000343311077 377950805 /nfs/dbraw/zinc/95/08/05/377950805.db2.gz NLRUAXJCMGDYQN-GFCCVEGCSA-N 1 2 274.389 3.089 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000343311077 377950809 /nfs/dbraw/zinc/95/08/09/377950809.db2.gz NLRUAXJCMGDYQN-GFCCVEGCSA-N 1 2 274.389 3.089 20 30 CGEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1F ZINC000343578293 378026082 /nfs/dbraw/zinc/02/60/82/378026082.db2.gz FDWJFMKUXMWEHW-ZDUSSCGKSA-N 1 2 250.292 3.309 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(C)[nH+]c1C)OCC ZINC000270152266 378314610 /nfs/dbraw/zinc/31/46/10/378314610.db2.gz HYSVISHKNMTKNQ-CQSZACIVSA-N 1 2 262.353 3.008 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC(C)C ZINC000271127608 378458232 /nfs/dbraw/zinc/45/82/32/378458232.db2.gz LRTKXIREBJSXOA-ZDUSSCGKSA-N 1 2 276.380 3.074 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC(C)C ZINC000271127608 378458238 /nfs/dbraw/zinc/45/82/38/378458238.db2.gz LRTKXIREBJSXOA-ZDUSSCGKSA-N 1 2 276.380 3.074 20 30 CGEDLO C=C1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1 ZINC000271153770 378464819 /nfs/dbraw/zinc/46/48/19/378464819.db2.gz GFKPUUHFUVXQGM-UHFFFAOYSA-N 1 2 283.318 3.449 20 30 CGEDLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C#N)cc1F ZINC000346521229 378602390 /nfs/dbraw/zinc/60/23/90/378602390.db2.gz BTSMLQQZVMJDGM-NHYWBVRUSA-N 1 2 288.322 3.065 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@H]2Cc3ccccc32)CCC[C@@]12CCCCO2 ZINC000347067000 378707972 /nfs/dbraw/zinc/70/79/72/378707972.db2.gz AVBCWWJUGDBSIF-NEWSRXKRSA-N 1 2 296.414 3.254 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@H]2Cc3ccccc32)CCC[C@@]12CCCCO2 ZINC000347067000 378707978 /nfs/dbraw/zinc/70/79/78/378707978.db2.gz AVBCWWJUGDBSIF-NEWSRXKRSA-N 1 2 296.414 3.254 20 30 CGEDLO CC(C)c1nc(N[C@@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000346740823 218003488 /nfs/dbraw/zinc/00/34/88/218003488.db2.gz IDHZYJZAFVWQQX-LBPRGKRZSA-N 1 2 266.348 3.067 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000275108606 378937711 /nfs/dbraw/zinc/93/77/11/378937711.db2.gz GQKIEBZQFLCRIJ-WBVHZDCISA-N 1 2 297.402 3.138 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\c3ccncc3C#N)n2c1 ZINC000349106969 379161020 /nfs/dbraw/zinc/16/10/20/379161020.db2.gz IVYSXWNFRCOMGV-ARJAWSKDSA-N 1 2 260.300 3.080 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277666608 379213231 /nfs/dbraw/zinc/21/32/31/379213231.db2.gz VRAZYJKLWRFUMZ-KRWDZBQOSA-N 1 2 291.439 3.286 20 30 CGEDLO Cc1ccc(NC(=O)NCC(C)(C)CCC#N)c(C)[nH+]1 ZINC000349897464 379439859 /nfs/dbraw/zinc/43/98/59/379439859.db2.gz YQPFZAXRBAIPEW-UHFFFAOYSA-N 1 2 274.368 3.150 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccon1 ZINC000349843709 379419553 /nfs/dbraw/zinc/41/95/53/379419553.db2.gz XUMFDKYTAOYUAL-UWVGGRQHSA-N 1 2 259.284 3.097 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350022431 379480812 /nfs/dbraw/zinc/48/08/12/379480812.db2.gz XSBUAVMFHMTKEG-PGLGOXFNSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350022431 379480822 /nfs/dbraw/zinc/48/08/22/379480822.db2.gz XSBUAVMFHMTKEG-PGLGOXFNSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350022427 379481606 /nfs/dbraw/zinc/48/16/06/379481606.db2.gz XSBUAVMFHMTKEG-BYCRGOAPSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350022427 379481613 /nfs/dbraw/zinc/48/16/13/379481613.db2.gz XSBUAVMFHMTKEG-BYCRGOAPSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375345437 379493730 /nfs/dbraw/zinc/49/37/30/379493730.db2.gz ONGGJNITDFMATA-XJKSGUPXSA-N 1 2 296.374 3.038 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375345437 379493735 /nfs/dbraw/zinc/49/37/35/379493735.db2.gz ONGGJNITDFMATA-XJKSGUPXSA-N 1 2 296.374 3.038 20 30 CGEDLO CC[N@H+](Cc1ncnn1C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000279842929 379532074 /nfs/dbraw/zinc/53/20/74/379532074.db2.gz ALEJVQODBAIDGL-AWEZNQCLSA-N 1 2 297.406 3.314 20 30 CGEDLO CC[N@@H+](Cc1ncnn1C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000279842929 379532078 /nfs/dbraw/zinc/53/20/78/379532078.db2.gz ALEJVQODBAIDGL-AWEZNQCLSA-N 1 2 297.406 3.314 20 30 CGEDLO C=CCCO[C@@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279855140 379536040 /nfs/dbraw/zinc/53/60/40/379536040.db2.gz CDMXCZFCNUTCJX-ZDUSSCGKSA-N 1 2 299.374 3.305 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000351816245 379744283 /nfs/dbraw/zinc/74/42/83/379744283.db2.gz YQDMPQRBYRWJRZ-ZDUSSCGKSA-N 1 2 287.407 3.383 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000351816245 379744290 /nfs/dbraw/zinc/74/42/90/379744290.db2.gz YQDMPQRBYRWJRZ-ZDUSSCGKSA-N 1 2 287.407 3.383 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1cc(C#N)ccc1OC ZINC000352547279 379853197 /nfs/dbraw/zinc/85/31/97/379853197.db2.gz DECYBKMIADJPQG-UHFFFAOYSA-N 1 2 282.343 3.412 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000281222035 379824429 /nfs/dbraw/zinc/82/44/29/379824429.db2.gz BTDIBEIPVRJVGG-GOSISDBHSA-N 1 2 297.377 3.138 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000281222035 379824436 /nfs/dbraw/zinc/82/44/36/379824436.db2.gz BTDIBEIPVRJVGG-GOSISDBHSA-N 1 2 297.377 3.138 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000352467472 379827715 /nfs/dbraw/zinc/82/77/15/379827715.db2.gz KYRWPNQBPNKJQN-UHFFFAOYSA-N 1 2 275.352 3.124 20 30 CGEDLO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000352823853 379983839 /nfs/dbraw/zinc/98/38/39/379983839.db2.gz OTIKNFMLOLLLTB-AWEZNQCLSA-N 1 2 299.399 3.191 20 30 CGEDLO C[C@H](CCC#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000411390570 380141386 /nfs/dbraw/zinc/14/13/86/380141386.db2.gz AIOQJJZMFAZHSA-CABCVRRESA-N 1 2 289.398 3.197 20 30 CGEDLO N#Cc1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000286286220 380188922 /nfs/dbraw/zinc/18/89/22/380188922.db2.gz XMPXNWLAUQPDEL-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO CCc1ncc(C[N@@H+](CCC#N)CC(CC)CC)cn1 ZINC000414383207 380217627 /nfs/dbraw/zinc/21/76/27/380217627.db2.gz QNDCHULHIDTDOY-UHFFFAOYSA-N 1 2 274.412 3.191 20 30 CGEDLO CCc1ncc(C[N@H+](CCC#N)CC(CC)CC)cn1 ZINC000414383207 380217631 /nfs/dbraw/zinc/21/76/31/380217631.db2.gz QNDCHULHIDTDOY-UHFFFAOYSA-N 1 2 274.412 3.191 20 30 CGEDLO C[N@H+](Cc1cc2ccc(F)cc2[nH]1)CC(C)(C)C#N ZINC000354039585 380294062 /nfs/dbraw/zinc/29/40/62/380294062.db2.gz NLHGGMDFLCIHCZ-UHFFFAOYSA-N 1 2 259.328 3.289 20 30 CGEDLO C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)CC(C)(C)C#N ZINC000354039585 380294065 /nfs/dbraw/zinc/29/40/65/380294065.db2.gz NLHGGMDFLCIHCZ-UHFFFAOYSA-N 1 2 259.328 3.289 20 30 CGEDLO C=CCCC1(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000356417516 380800280 /nfs/dbraw/zinc/80/02/80/380800280.db2.gz JIXCBNCUNUHROF-HUUCEWRRSA-N 1 2 287.407 3.039 20 30 CGEDLO CC[N@@H+](Cc1cncc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000361291648 381679619 /nfs/dbraw/zinc/67/96/19/381679619.db2.gz ZODSOKBDAVEHIL-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1cncc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000361291648 381679623 /nfs/dbraw/zinc/67/96/23/381679623.db2.gz ZODSOKBDAVEHIL-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO C[N@H+](CCCC#N)Cc1ccc(F)cc1Br ZINC000362210004 381909685 /nfs/dbraw/zinc/90/96/85/381909685.db2.gz FSYCUWBAXJSFSV-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO C[N@@H+](CCCC#N)Cc1ccc(F)cc1Br ZINC000362210004 381909691 /nfs/dbraw/zinc/90/96/91/381909691.db2.gz FSYCUWBAXJSFSV-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO COc1ccc2oc(C[N@H+](C)[C@@H](C)CC#N)cc2c1 ZINC000093091183 392234255 /nfs/dbraw/zinc/23/42/55/392234255.db2.gz RWWCRPHSGROUCE-NSHDSACASA-N 1 2 258.321 3.175 20 30 CGEDLO COc1ccc2oc(C[N@@H+](C)[C@@H](C)CC#N)cc2c1 ZINC000093091183 392234257 /nfs/dbraw/zinc/23/42/57/392234257.db2.gz RWWCRPHSGROUCE-NSHDSACASA-N 1 2 258.321 3.175 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccccc1Br ZINC000093793087 392239016 /nfs/dbraw/zinc/23/90/16/392239016.db2.gz MDBSKBZWFQADHX-NSHDSACASA-N 1 2 297.196 3.062 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1Br ZINC000093793087 392239023 /nfs/dbraw/zinc/23/90/23/392239023.db2.gz MDBSKBZWFQADHX-NSHDSACASA-N 1 2 297.196 3.062 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1c(Cl)cccc1Cl ZINC000078637541 392219543 /nfs/dbraw/zinc/21/95/43/392219543.db2.gz SNJJQMNRWPBKEJ-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C[N@H+](CCC#N)CCOc1c(Cl)cccc1Cl ZINC000078637541 392219547 /nfs/dbraw/zinc/21/95/47/392219547.db2.gz SNJJQMNRWPBKEJ-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2cc(F)ccc2n1CC ZINC000114723961 392387484 /nfs/dbraw/zinc/38/74/84/392387484.db2.gz HHVQFEDVBBUMOE-UHFFFAOYSA-N 1 2 273.355 3.369 20 30 CGEDLO N#CCC[N@@H+](CCC(=O)c1ccc(F)cc1)CC1CC1 ZINC000122126653 392419569 /nfs/dbraw/zinc/41/95/69/392419569.db2.gz OYOTVQOAIBRVLX-UHFFFAOYSA-N 1 2 274.339 3.024 20 30 CGEDLO N#CCC[N@H+](CCC(=O)c1ccc(F)cc1)CC1CC1 ZINC000122126653 392419580 /nfs/dbraw/zinc/41/95/80/392419580.db2.gz OYOTVQOAIBRVLX-UHFFFAOYSA-N 1 2 274.339 3.024 20 30 CGEDLO CCOc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OCC ZINC000123682232 392429651 /nfs/dbraw/zinc/42/96/51/392429651.db2.gz SBYWKRDMBMZONB-CYBMUJFWSA-N 1 2 276.380 3.218 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OCC ZINC000123682232 392429657 /nfs/dbraw/zinc/42/96/57/392429657.db2.gz SBYWKRDMBMZONB-CYBMUJFWSA-N 1 2 276.380 3.218 20 30 CGEDLO C[C@H](C#N)CSc1ccccc1NCc1[nH+]ccn1C ZINC000124427837 392433541 /nfs/dbraw/zinc/43/35/41/392433541.db2.gz CABSZHKLSSSMQO-GFCCVEGCSA-N 1 2 286.404 3.284 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)no1 ZINC000366570750 392455169 /nfs/dbraw/zinc/45/51/69/392455169.db2.gz MWOAUMBMCURADQ-KRWDZBQOSA-N 1 2 284.334 3.311 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)no1 ZINC000366570750 392455176 /nfs/dbraw/zinc/45/51/76/392455176.db2.gz MWOAUMBMCURADQ-KRWDZBQOSA-N 1 2 284.334 3.311 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000181333611 392728355 /nfs/dbraw/zinc/72/83/55/392728355.db2.gz PAQHGYIKROTGKN-CYBMUJFWSA-N 1 2 271.364 3.229 20 30 CGEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000181333611 392728362 /nfs/dbraw/zinc/72/83/62/392728362.db2.gz PAQHGYIKROTGKN-CYBMUJFWSA-N 1 2 271.364 3.229 20 30 CGEDLO C=CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182596607 392748008 /nfs/dbraw/zinc/74/80/08/392748008.db2.gz XFTXNFOPKQAMHZ-ZDUSSCGKSA-N 1 2 271.282 3.265 20 30 CGEDLO C=CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182596607 392748011 /nfs/dbraw/zinc/74/80/11/392748011.db2.gz XFTXNFOPKQAMHZ-ZDUSSCGKSA-N 1 2 271.282 3.265 20 30 CGEDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(C#N)cc1 ZINC000520338307 392918761 /nfs/dbraw/zinc/91/87/61/392918761.db2.gz KNPXMXMULXZLTN-SNVBAGLBSA-N 1 2 284.388 3.138 20 30 CGEDLO Cc1cc(C[N@@H+]2CCOc3cccc(F)c3C2)ccc1C#N ZINC000338331714 392908551 /nfs/dbraw/zinc/90/85/51/392908551.db2.gz WVZUGRLOPKVZBC-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1cc(C[N@H+]2CCOc3cccc(F)c3C2)ccc1C#N ZINC000338331714 392908559 /nfs/dbraw/zinc/90/85/59/392908559.db2.gz WVZUGRLOPKVZBC-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO COc1cc(OCc2[nH+]cc(C)c(OC)c2C)ccc1C#N ZINC000194503765 392925270 /nfs/dbraw/zinc/92/52/70/392925270.db2.gz LTWIPGJZNJEIQE-UHFFFAOYSA-N 1 2 298.342 3.166 20 30 CGEDLO C=CCCSCc1[nH+]ccn1CC(F)(F)F ZINC000339092670 392947921 /nfs/dbraw/zinc/94/79/21/392947921.db2.gz ZAGHTPMUOQPTDD-UHFFFAOYSA-N 1 2 250.289 3.255 20 30 CGEDLO Cc1cc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(C#N)c[nH+]1 ZINC000528104990 392964294 /nfs/dbraw/zinc/96/42/94/392964294.db2.gz QCGDFZJWHZDWES-HYVNUMGLSA-N 1 2 295.773 3.087 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000411938528 392990671 /nfs/dbraw/zinc/99/06/71/392990671.db2.gz GUYVZCZKHYJXBU-UHFFFAOYSA-N 1 2 290.366 3.471 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000411938528 392990674 /nfs/dbraw/zinc/99/06/74/392990674.db2.gz GUYVZCZKHYJXBU-UHFFFAOYSA-N 1 2 290.366 3.471 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccon1 ZINC000349241373 393140594 /nfs/dbraw/zinc/14/05/94/393140594.db2.gz KPMJTRYYFHVAOJ-LLVKDONJSA-N 1 2 260.724 3.030 20 30 CGEDLO Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000419013536 393363555 /nfs/dbraw/zinc/36/35/55/393363555.db2.gz HWCZMSCCJQEOLN-OAHLLOKOSA-N 1 2 264.332 3.146 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)cc1OC ZINC000359230824 393540336 /nfs/dbraw/zinc/54/03/36/393540336.db2.gz SKBVZSWXMUZBKD-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)cc1OC ZINC000359230824 393540338 /nfs/dbraw/zinc/54/03/38/393540338.db2.gz SKBVZSWXMUZBKD-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cncc(C#N)n1 ZINC000420579096 393498013 /nfs/dbraw/zinc/49/80/13/393498013.db2.gz DMUZRARAIVAFNX-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO N#Cc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)s1 ZINC000420613666 393505864 /nfs/dbraw/zinc/50/58/64/393505864.db2.gz ZXTJCISRLHHXLF-UHFFFAOYSA-N 1 2 299.403 3.012 20 30 CGEDLO N#Cc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)s1 ZINC000420613666 393505869 /nfs/dbraw/zinc/50/58/69/393505869.db2.gz ZXTJCISRLHHXLF-UHFFFAOYSA-N 1 2 299.403 3.012 20 30 CGEDLO Cc1nsc(Sc2[nH+]cc3ccccn32)c1C#N ZINC000360842577 393596419 /nfs/dbraw/zinc/59/64/19/393596419.db2.gz OPYNXEAOFIDQSJ-UHFFFAOYSA-N 1 2 272.358 3.122 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(F)c1)CC1(C#N)CCC1 ZINC000450855774 394037020 /nfs/dbraw/zinc/03/70/20/394037020.db2.gz GUUSLPTWOLQUCL-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)CC1(C#N)CCC1 ZINC000450855774 394037026 /nfs/dbraw/zinc/03/70/26/394037026.db2.gz GUUSLPTWOLQUCL-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO Cc1cc(C#N)cc(NCc2ccc(C)[nH+]c2C)c1 ZINC000453153850 394189676 /nfs/dbraw/zinc/18/96/76/394189676.db2.gz ZACRRSVZIHSQPS-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO C=C(CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000672668607 543223893 /nfs/dbraw/zinc/22/38/93/543223893.db2.gz MBTWGHNXKDSHMP-UHFFFAOYSA-N 1 2 292.342 3.169 20 30 CGEDLO CCC#C[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000677477999 543450442 /nfs/dbraw/zinc/45/04/42/543450442.db2.gz IJLYOQPUKZGEPB-HCWHUNCVSA-N 1 2 282.431 3.119 20 30 CGEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000678050228 543479245 /nfs/dbraw/zinc/47/92/45/543479245.db2.gz WETAVGYQZRTGKZ-CYBMUJFWSA-N 1 2 274.191 3.362 20 30 CGEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000678050228 543479248 /nfs/dbraw/zinc/47/92/48/543479248.db2.gz WETAVGYQZRTGKZ-CYBMUJFWSA-N 1 2 274.191 3.362 20 30 CGEDLO Cc1ccc(NC(=O)CSc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000119180013 287166073 /nfs/dbraw/zinc/16/60/73/287166073.db2.gz ZQYDZPKWROUNJH-UHFFFAOYSA-N 1 2 297.383 3.301 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000127480899 287288944 /nfs/dbraw/zinc/28/89/44/287288944.db2.gz VTMCUWUBJOOIMR-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000127480899 287288945 /nfs/dbraw/zinc/28/89/45/287288945.db2.gz VTMCUWUBJOOIMR-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1F ZINC000679217934 543600578 /nfs/dbraw/zinc/60/05/78/543600578.db2.gz BNGCIVIANINNPS-WFASDCNBSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1F ZINC000679217934 543600582 /nfs/dbraw/zinc/60/05/82/543600582.db2.gz BNGCIVIANINNPS-WFASDCNBSA-N 1 2 265.759 3.371 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cc(C)cc(C)c2)nn1 ZINC000653643614 419065053 /nfs/dbraw/zinc/06/50/53/419065053.db2.gz YIJIRNBRSSKFNP-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2cc(C)cc(C)c2)nn1 ZINC000653643614 419065056 /nfs/dbraw/zinc/06/50/56/419065056.db2.gz YIJIRNBRSSKFNP-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1c[nH+]c(C)cc1C ZINC000661291534 419247929 /nfs/dbraw/zinc/24/79/29/419247929.db2.gz HWUIQGOQTINHSD-IYBDPMFKSA-N 1 2 285.391 3.091 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000661293587 419248360 /nfs/dbraw/zinc/24/83/60/419248360.db2.gz YASCQDCMZKKNJX-OAHLLOKOSA-N 1 2 287.407 3.196 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000661293586 419248751 /nfs/dbraw/zinc/24/87/51/419248751.db2.gz YASCQDCMZKKNJX-HNNXBMFYSA-N 1 2 287.407 3.196 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2nnc(C(F)(F)F)s2)C1 ZINC000661385868 419257143 /nfs/dbraw/zinc/25/71/43/419257143.db2.gz QKKJOZSVPPTTFB-VIFPVBQESA-N 1 2 291.342 3.345 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2nnc(C(F)(F)F)s2)C1 ZINC000661385868 419257144 /nfs/dbraw/zinc/25/71/44/419257144.db2.gz QKKJOZSVPPTTFB-VIFPVBQESA-N 1 2 291.342 3.345 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000353624328 228133990 /nfs/dbraw/zinc/13/39/90/228133990.db2.gz DJGLUQIEOVGOTK-DGCLKSJQSA-N 1 2 250.292 3.060 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000299462817 260186838 /nfs/dbraw/zinc/18/68/38/260186838.db2.gz XNZQRYOTBNAWRA-SNVBAGLBSA-N 1 2 293.754 3.148 20 30 CGEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)CC#N ZINC000057846684 260226131 /nfs/dbraw/zinc/22/61/31/260226131.db2.gz GFUTYCMCIRYLQF-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000057846684 260226132 /nfs/dbraw/zinc/22/61/32/260226132.db2.gz GFUTYCMCIRYLQF-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO N#CCC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000078666422 260301541 /nfs/dbraw/zinc/30/15/41/260301541.db2.gz PXGJSXKIWSQBND-UHFFFAOYSA-N 1 2 254.333 3.238 20 30 CGEDLO N#CCC[N@@H+](CCc1ccccc1)Cc1ccco1 ZINC000078666422 260301543 /nfs/dbraw/zinc/30/15/43/260301543.db2.gz PXGJSXKIWSQBND-UHFFFAOYSA-N 1 2 254.333 3.238 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)cc1 ZINC000491276255 261396919 /nfs/dbraw/zinc/39/69/19/261396919.db2.gz IGGNJBLOTWGVFJ-HNNXBMFYSA-N 1 2 283.302 3.019 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000184083239 262007173 /nfs/dbraw/zinc/00/71/73/262007173.db2.gz NHJSXRYPTNKHKB-QGZVFWFLSA-N 1 2 295.386 3.442 20 30 CGEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCCC#N ZINC000189484749 262172463 /nfs/dbraw/zinc/17/24/63/262172463.db2.gz HXDQWQHYMQKHEJ-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCCC#N ZINC000189484749 262172465 /nfs/dbraw/zinc/17/24/65/262172465.db2.gz HXDQWQHYMQKHEJ-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Br)o1)CC1CC1 ZINC000191324980 262191345 /nfs/dbraw/zinc/19/13/45/262191345.db2.gz UPMSGNDDKFWGCN-UHFFFAOYSA-N 1 2 283.169 3.168 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Br)o1)CC1CC1 ZINC000191324980 262191347 /nfs/dbraw/zinc/19/13/47/262191347.db2.gz UPMSGNDDKFWGCN-UHFFFAOYSA-N 1 2 283.169 3.168 20 30 CGEDLO C#CCC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000365092030 262278083 /nfs/dbraw/zinc/27/80/83/262278083.db2.gz WLTPOSNRZRUEAY-HNNXBMFYSA-N 1 2 299.418 3.090 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000277417352 263041051 /nfs/dbraw/zinc/04/10/51/263041051.db2.gz OYTFIOFMGJCIRP-MTMUGNLHSA-N 1 2 277.364 3.025 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H](OC)c1ccc(Cl)cc1 ZINC000283121215 263081234 /nfs/dbraw/zinc/08/12/34/263081234.db2.gz MXFMMHLVMWBDLA-AWEZNQCLSA-N 1 2 266.772 3.263 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H](OC)c1ccc(Cl)cc1 ZINC000283121215 263081235 /nfs/dbraw/zinc/08/12/35/263081235.db2.gz MXFMMHLVMWBDLA-AWEZNQCLSA-N 1 2 266.772 3.263 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000284988670 263089018 /nfs/dbraw/zinc/08/90/18/263089018.db2.gz FEFJMVJZZWRNAP-KRWDZBQOSA-N 1 2 296.374 3.179 20 30 CGEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ncc[nH]1 ZINC000353628670 263279516 /nfs/dbraw/zinc/27/95/16/263279516.db2.gz BOUOVAKJJAUNQL-JSGCOSHPSA-N 1 2 254.337 3.105 20 30 CGEDLO C=CC[C@H](CO)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000340887764 263311875 /nfs/dbraw/zinc/31/18/75/263311875.db2.gz QYNASOCMOUOHQF-LBPRGKRZSA-N 1 2 274.339 3.279 20 30 CGEDLO C=CCOc1ccccc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341489871 263339429 /nfs/dbraw/zinc/33/94/29/263339429.db2.gz BYBMNOLTTSNPFX-UHFFFAOYSA-N 1 2 295.386 3.261 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000341639344 263344947 /nfs/dbraw/zinc/34/49/47/263344947.db2.gz WDAUDPFNMTYFDW-SNVBAGLBSA-N 1 2 257.337 3.412 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2CC)CC1 ZINC000341983867 263371246 /nfs/dbraw/zinc/37/12/46/263371246.db2.gz NFVDYWWOXFWUPA-AWEZNQCLSA-N 1 2 272.392 3.228 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000128752113 264299752 /nfs/dbraw/zinc/29/97/52/264299752.db2.gz FLRLFCFTWKMJBW-UHFFFAOYSA-N 1 2 298.390 3.086 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(C)c1 ZINC000189810771 264327408 /nfs/dbraw/zinc/32/74/08/264327408.db2.gz WYARJYIMUGFOST-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(C)c1 ZINC000189810771 264327409 /nfs/dbraw/zinc/32/74/09/264327409.db2.gz WYARJYIMUGFOST-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=C(Br)C[N@@H+]1CCc2ccsc2C1 ZINC000132618961 264398247 /nfs/dbraw/zinc/39/82/47/264398247.db2.gz FIWNKBHTZNTESV-UHFFFAOYSA-N 1 2 258.184 3.015 20 30 CGEDLO C=C(Br)C[N@H+]1CCc2ccsc2C1 ZINC000132618961 264398248 /nfs/dbraw/zinc/39/82/48/264398248.db2.gz FIWNKBHTZNTESV-UHFFFAOYSA-N 1 2 258.184 3.015 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)c3cccc(C#N)c3)ccc2n1C ZINC000074985656 270042154 /nfs/dbraw/zinc/04/21/54/270042154.db2.gz YCTWLEYLUALUBO-UHFFFAOYSA-N 1 2 290.326 3.006 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000356451446 266116923 /nfs/dbraw/zinc/11/69/23/266116923.db2.gz GUYAQVQZLSMACV-CQSZACIVSA-N 1 2 299.418 3.202 20 30 CGEDLO C=CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC1 ZINC000357552443 266322232 /nfs/dbraw/zinc/32/22/32/266322232.db2.gz MLXIQOHFZWSGTR-UHFFFAOYSA-N 1 2 295.342 3.232 20 30 CGEDLO C=CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC1 ZINC000357552443 266322234 /nfs/dbraw/zinc/32/22/34/266322234.db2.gz MLXIQOHFZWSGTR-UHFFFAOYSA-N 1 2 295.342 3.232 20 30 CGEDLO C=CCCCC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000359584922 266602744 /nfs/dbraw/zinc/60/27/44/266602744.db2.gz TULYHJNSTSYFIX-UHFFFAOYSA-N 1 2 297.402 3.246 20 30 CGEDLO Cc1cc(NCC(C)(C)c2cccs2)c(C#N)c[nH+]1 ZINC000399432342 267299449 /nfs/dbraw/zinc/29/94/49/267299449.db2.gz JESDZWQKFHYKEX-UHFFFAOYSA-N 1 2 271.389 3.135 20 30 CGEDLO COc1cccc(C[NH2+]CC2(C#N)CCC2)c1OC(F)F ZINC000418144998 267366000 /nfs/dbraw/zinc/36/60/00/267366000.db2.gz WHJTUPJMGVUZPQ-UHFFFAOYSA-N 1 2 296.317 3.080 20 30 CGEDLO Cc1ccc(C2CCN(c3ccc(C#N)cn3)CC2)c[nH+]1 ZINC000371734987 267409163 /nfs/dbraw/zinc/40/91/63/267409163.db2.gz QFAMMEIWRXSSLT-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO C=C1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000353305068 277813933 /nfs/dbraw/zinc/81/39/33/277813933.db2.gz ASLCQOUUTUWRMO-UHFFFAOYSA-N 1 2 290.436 3.375 20 30 CGEDLO C[C@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC000334644968 300250537 /nfs/dbraw/zinc/25/05/37/300250537.db2.gz ACCVGEFGORFXPU-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC000334644968 300250540 /nfs/dbraw/zinc/25/05/40/300250540.db2.gz ACCVGEFGORFXPU-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000183817471 327766033 /nfs/dbraw/zinc/76/60/33/327766033.db2.gz AKFGJXQKDPYOFI-MRVPVSSYSA-N 1 2 287.588 3.352 20 30 CGEDLO COc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000185721856 327843143 /nfs/dbraw/zinc/84/31/43/327843143.db2.gz IIHSWLDVYHQXDW-RYUDHWBXSA-N 1 2 260.337 3.198 20 30 CGEDLO COc1nc2ccccc2cc1C[N@H+](CCC#N)C(C)C ZINC000534342219 328049791 /nfs/dbraw/zinc/04/97/91/328049791.db2.gz VBMLKPOYXMYHDC-UHFFFAOYSA-N 1 2 283.375 3.367 20 30 CGEDLO COc1nc2ccccc2cc1C[N@@H+](CCC#N)C(C)C ZINC000534342219 328049792 /nfs/dbraw/zinc/04/97/92/328049792.db2.gz VBMLKPOYXMYHDC-UHFFFAOYSA-N 1 2 283.375 3.367 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268245788 328183495 /nfs/dbraw/zinc/18/34/95/328183495.db2.gz AWYYMLZDWPSNCB-INIZCTEOSA-N 1 2 286.400 3.197 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268245788 328183496 /nfs/dbraw/zinc/18/34/96/328183496.db2.gz AWYYMLZDWPSNCB-INIZCTEOSA-N 1 2 286.400 3.197 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)CC1CC(F)(F)C1 ZINC000295044553 328284253 /nfs/dbraw/zinc/28/42/53/328284253.db2.gz ODACEQLYHUVFSB-UHFFFAOYSA-N 1 2 254.280 3.041 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)CC1CC(F)(F)C1 ZINC000295044553 328284255 /nfs/dbraw/zinc/28/42/55/328284255.db2.gz ODACEQLYHUVFSB-UHFFFAOYSA-N 1 2 254.280 3.041 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000064993410 327106959 /nfs/dbraw/zinc/10/69/59/327106959.db2.gz UOLPMLFBDKPKMT-JTQLQIEISA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000064993410 327106960 /nfs/dbraw/zinc/10/69/60/327106960.db2.gz UOLPMLFBDKPKMT-JTQLQIEISA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000560714446 327338490 /nfs/dbraw/zinc/33/84/90/327338490.db2.gz KYFMLZQNKZOYPJ-XHDPSFHLSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000560714446 327338492 /nfs/dbraw/zinc/33/84/92/327338492.db2.gz KYFMLZQNKZOYPJ-XHDPSFHLSA-N 1 2 280.318 3.030 20 30 CGEDLO CC(C)c1cc(N[C@@H]2CC[C@H](C#N)C2)nc(C(C)C)[nH+]1 ZINC000425271792 329653633 /nfs/dbraw/zinc/65/36/33/329653633.db2.gz JLAUQYAKQQFAII-QWHCGFSZSA-N 1 2 272.396 3.249 20 30 CGEDLO CCCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442840587 330786277 /nfs/dbraw/zinc/78/62/77/330786277.db2.gz LYGABFWYXQLFQM-IHRRRGAJSA-N 1 2 280.412 3.169 20 30 CGEDLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)CC1(C#N)CC1 ZINC000451971904 331049067 /nfs/dbraw/zinc/04/90/67/331049067.db2.gz DVKBIPVAUZWTIK-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)CC1(C#N)CC1 ZINC000451971904 331049068 /nfs/dbraw/zinc/04/90/68/331049068.db2.gz DVKBIPVAUZWTIK-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C(#Cc1ccccc1)CSc1[nH+]cc2ccccn21 ZINC000478525380 331707792 /nfs/dbraw/zinc/70/77/92/331707792.db2.gz AQFFJLQSXRTGHD-UHFFFAOYSA-N 1 2 264.353 3.478 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccc(OC)cc2)n1 ZINC000489441481 332052651 /nfs/dbraw/zinc/05/26/51/332052651.db2.gz DWZVSDCVQGDFST-CQSZACIVSA-N 1 2 299.374 3.286 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccc(OC)cc2)n1 ZINC000489441481 332052652 /nfs/dbraw/zinc/05/26/52/332052652.db2.gz DWZVSDCVQGDFST-CQSZACIVSA-N 1 2 299.374 3.286 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000489477202 332055057 /nfs/dbraw/zinc/05/50/57/332055057.db2.gz LUQPOODWQLHNOA-LBPRGKRZSA-N 1 2 278.783 3.319 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC000489477202 332055059 /nfs/dbraw/zinc/05/50/59/332055059.db2.gz LUQPOODWQLHNOA-LBPRGKRZSA-N 1 2 278.783 3.319 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc([C@H](C)SCC)no1 ZINC000489487024 332055631 /nfs/dbraw/zinc/05/56/31/332055631.db2.gz ZUBVGDGONISOSY-NWDGAFQWSA-N 1 2 281.425 3.424 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc([C@H](C)SCC)no1 ZINC000489487024 332055632 /nfs/dbraw/zinc/05/56/32/332055632.db2.gz ZUBVGDGONISOSY-NWDGAFQWSA-N 1 2 281.425 3.424 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ncc(-c2ccccc2C)o1 ZINC000490874740 332123615 /nfs/dbraw/zinc/12/36/15/332123615.db2.gz NXIMSHDZPVASNR-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C#CC[N@H+](CC)Cc1ncc(-c2ccccc2C)o1 ZINC000490874740 332123616 /nfs/dbraw/zinc/12/36/16/332123616.db2.gz NXIMSHDZPVASNR-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C#C[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000491278455 332180071 /nfs/dbraw/zinc/18/00/71/332180071.db2.gz TYYMIUKNCBREMU-OAHLLOKOSA-N 1 2 297.333 3.334 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(F)cc1 ZINC000491316401 332189053 /nfs/dbraw/zinc/18/90/53/332189053.db2.gz VFCRXAZJSCXLDF-QGZVFWFLSA-N 1 2 285.366 3.376 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000491420377 332208491 /nfs/dbraw/zinc/20/84/91/332208491.db2.gz XNIVQQRPKUXKRH-OAHLLOKOSA-N 1 2 292.382 3.246 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000491420377 332208492 /nfs/dbraw/zinc/20/84/92/332208492.db2.gz XNIVQQRPKUXKRH-OAHLLOKOSA-N 1 2 292.382 3.246 20 30 CGEDLO C#C[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000491623061 332247855 /nfs/dbraw/zinc/24/78/55/332247855.db2.gz HRRJFBWPYOHPCQ-DOMZBBRYSA-N 1 2 254.308 3.246 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1nc(C)cs1)c1ccc(F)cc1 ZINC000491697911 332293041 /nfs/dbraw/zinc/29/30/41/332293041.db2.gz AVMVGZHQCIJIDD-CYBMUJFWSA-N 1 2 260.337 3.055 20 30 CGEDLO C#CC[N@@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000491699005 332293765 /nfs/dbraw/zinc/29/37/65/332293765.db2.gz BWHBFTFUBYRKQA-UHFFFAOYSA-N 1 2 296.157 3.108 20 30 CGEDLO C#CC[N@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000491699005 332293767 /nfs/dbraw/zinc/29/37/67/332293767.db2.gz BWHBFTFUBYRKQA-UHFFFAOYSA-N 1 2 296.157 3.108 20 30 CGEDLO C#C[C@H](CCC)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000491814521 332366040 /nfs/dbraw/zinc/36/60/40/332366040.db2.gz RSIMHDQBGHYHDJ-CQSZACIVSA-N 1 2 294.354 3.406 20 30 CGEDLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185864280 333150441 /nfs/dbraw/zinc/15/04/41/333150441.db2.gz PNAJMIIJLDGCEJ-MCIONIFRSA-N 1 2 280.412 3.025 20 30 CGEDLO C=CCCCCC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000234546675 333360854 /nfs/dbraw/zinc/36/08/54/333360854.db2.gz ZDSDVPPHPPGCHF-HNNXBMFYSA-N 1 2 261.365 3.237 20 30 CGEDLO CCO[C@@H](C)c1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541023136 333759748 /nfs/dbraw/zinc/75/97/48/333759748.db2.gz SCNLGXTZGDKYRN-LBPRGKRZSA-N 1 2 293.436 3.366 20 30 CGEDLO C[C@H](C#N)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000176456879 335281760 /nfs/dbraw/zinc/28/17/60/335281760.db2.gz TYLVDJWLWZJDBS-GFCCVEGCSA-N 1 2 296.330 3.155 20 30 CGEDLO Cc1cccc(CCNc2ccc(C#N)cc2F)[nH+]1 ZINC000359850371 534696469 /nfs/dbraw/zinc/69/64/69/534696469.db2.gz UOSCGJLOLADYMC-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO C=CCN(CCc1ccco1)c1cc[nH+]c(C2CC2)n1 ZINC000352081235 526328305 /nfs/dbraw/zinc/32/83/05/526328305.db2.gz CZKVZORCYSJDTE-UHFFFAOYSA-N 1 2 269.348 3.182 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000329266195 526683225 /nfs/dbraw/zinc/68/32/25/526683225.db2.gz FNSJQBIPSYYTPW-SWLSCSKDSA-N 1 2 293.411 3.140 20 30 CGEDLO CCOC(=O)c1coc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000353628417 528323820 /nfs/dbraw/zinc/32/38/20/528323820.db2.gz TZMBQTJFXRKUOB-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCOC(=O)c1coc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000353628417 528323826 /nfs/dbraw/zinc/32/38/26/528323826.db2.gz TZMBQTJFXRKUOB-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCCn1c(C)nnc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538593 528811959 /nfs/dbraw/zinc/81/19/59/528811959.db2.gz SIJJGQHXMJJBKG-CYBMUJFWSA-N 1 2 297.406 3.061 20 30 CGEDLO CCCn1c(C)nnc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538593 528811965 /nfs/dbraw/zinc/81/19/65/528811965.db2.gz SIJJGQHXMJJBKG-CYBMUJFWSA-N 1 2 297.406 3.061 20 30 CGEDLO CCC(CC)[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425250077 528833686 /nfs/dbraw/zinc/83/36/86/528833686.db2.gz VIWFAXOCOXWXMI-RDJZCZTQSA-N 1 2 287.407 3.079 20 30 CGEDLO CC(C)[N@H+](Cc1cccs1)Cc1nc(C#N)cs1 ZINC000356095080 528963902 /nfs/dbraw/zinc/96/39/02/528963902.db2.gz XBBKNWPAIZTRIK-UHFFFAOYSA-N 1 2 277.418 3.487 20 30 CGEDLO CC(C)[N@@H+](Cc1cccs1)Cc1nc(C#N)cs1 ZINC000356095080 528963907 /nfs/dbraw/zinc/96/39/07/528963907.db2.gz XBBKNWPAIZTRIK-UHFFFAOYSA-N 1 2 277.418 3.487 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439453689 529296874 /nfs/dbraw/zinc/29/68/74/529296874.db2.gz QKMVHYJXTVDHDS-FZMZJTMJSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439453689 529296875 /nfs/dbraw/zinc/29/68/75/529296875.db2.gz QKMVHYJXTVDHDS-FZMZJTMJSA-N 1 2 278.783 3.211 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc3c(c2)CCCN3C)nc1 ZINC000727259827 571736194 /nfs/dbraw/zinc/73/61/94/571736194.db2.gz NBLTZKFXNGAMDV-UHFFFAOYSA-N 1 2 280.375 3.218 20 30 CGEDLO C#Cc1cccc(N(C(=O)CCCn2cc[nH+]c2)C(C)C)c1 ZINC000728246066 571798228 /nfs/dbraw/zinc/79/82/28/571798228.db2.gz MHWGFYCOVFONPJ-UHFFFAOYSA-N 1 2 295.386 3.086 20 30 CGEDLO CC[N@H+](CCC(F)(F)F)Cc1ccc(F)cc1C#N ZINC000728570143 571811144 /nfs/dbraw/zinc/81/11/44/571811144.db2.gz XFLPPKWOSOUVQG-UHFFFAOYSA-N 1 2 274.261 3.472 20 30 CGEDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc(F)cc1C#N ZINC000728570143 571811147 /nfs/dbraw/zinc/81/11/47/571811147.db2.gz XFLPPKWOSOUVQG-UHFFFAOYSA-N 1 2 274.261 3.472 20 30 CGEDLO C=C(Br)C[N@@H+](C)CCc1ccccc1OC ZINC000729543053 571924107 /nfs/dbraw/zinc/92/41/07/571924107.db2.gz DOIIQVBXFYJVPK-UHFFFAOYSA-N 1 2 284.197 3.078 20 30 CGEDLO C=C(Br)C[N@H+](C)CCc1ccccc1OC ZINC000729543053 571924109 /nfs/dbraw/zinc/92/41/09/571924109.db2.gz DOIIQVBXFYJVPK-UHFFFAOYSA-N 1 2 284.197 3.078 20 30 CGEDLO CC(C)(C)n1cc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000730147406 571950938 /nfs/dbraw/zinc/95/09/38/571950938.db2.gz DMONPGJZFRJALL-UHFFFAOYSA-N 1 2 293.374 3.054 20 30 CGEDLO Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1[nH]cc[nH+]1 ZINC000731156603 572398280 /nfs/dbraw/zinc/39/82/80/572398280.db2.gz IFVZIQMZKVVNIR-BQYQJAHWSA-N 1 2 278.315 3.004 20 30 CGEDLO Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1[nH]cc[nH+]1 ZINC000731156603 572398281 /nfs/dbraw/zinc/39/82/81/572398281.db2.gz IFVZIQMZKVVNIR-BQYQJAHWSA-N 1 2 278.315 3.004 20 30 CGEDLO COc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)ccc1SC ZINC000731159820 572398691 /nfs/dbraw/zinc/39/86/91/572398691.db2.gz WSRQPVWLGLDZBT-GQCTYLIASA-N 1 2 274.345 3.036 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C/c2cccc(O)c2O)c1 ZINC000732925927 572492472 /nfs/dbraw/zinc/49/24/72/572492472.db2.gz IFTCFTAEXZFHEM-HWQJWEFDSA-N 1 2 285.343 3.157 20 30 CGEDLO O=C1c2ccccc2O/C1=C/c1[nH+]ccn1CC(F)(F)F ZINC000742438118 572583380 /nfs/dbraw/zinc/58/33/80/572583380.db2.gz YSLUPGWDLKREHG-YRNVUSSQSA-N 1 2 294.232 3.062 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/[C@@H]1CCSC1 ZINC000743043806 572635473 /nfs/dbraw/zinc/63/54/73/572635473.db2.gz AMRMQAVPZXAIFT-GFQQVXNGSA-N 1 2 257.358 3.470 20 30 CGEDLO Oc1ccc(/C=[NH+]\C[C@H]2CCc3ccccc3C2)c(O)c1O ZINC000735228746 572707068 /nfs/dbraw/zinc/70/70/68/572707068.db2.gz GWMXGYLHOJLNLG-XHEYCZLTSA-N 1 2 297.354 3.027 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000746456801 572871567 /nfs/dbraw/zinc/87/15/67/572871567.db2.gz KBEDJQPNBJLMCP-UHFFFAOYSA-N 1 2 282.174 3.096 20 30 CGEDLO C#CC[N@H+](CC)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000746456801 572871568 /nfs/dbraw/zinc/87/15/68/572871568.db2.gz KBEDJQPNBJLMCP-UHFFFAOYSA-N 1 2 282.174 3.096 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccccc2F)n1 ZINC000746457760 572871675 /nfs/dbraw/zinc/87/16/75/572871675.db2.gz POLBZFIDUNYLSM-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccccc2F)n1 ZINC000746457760 572871677 /nfs/dbraw/zinc/87/16/77/572871677.db2.gz POLBZFIDUNYLSM-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO CCC(CC)[C@@H](CC/[NH+]=C/c1cccc(O)c1O)OC ZINC000746523853 572876324 /nfs/dbraw/zinc/87/63/24/572876324.db2.gz ZDUZZKDAPBRHFW-QAEAHILHSA-N 1 2 279.380 3.358 20 30 CGEDLO CCO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000748797252 572984403 /nfs/dbraw/zinc/98/44/03/572984403.db2.gz QKIZZBZXSYKESJ-UHFFFAOYSA-N 1 2 288.322 3.062 20 30 CGEDLO CC(=[NH+]OCC(C)C)c1c(F)cccc1N1CCOCC1 ZINC000749626398 573024289 /nfs/dbraw/zinc/02/42/89/573024289.db2.gz RFSITIXPYIHHIB-UHFFFAOYSA-N 1 2 294.370 3.059 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@H](C)c2ccncc2)c1O ZINC000749844456 573045578 /nfs/dbraw/zinc/04/55/78/573045578.db2.gz JUNAPWIXQHRDJU-QXGSTRBFSA-N 1 2 284.359 3.409 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC000957322180 613295923 /nfs/dbraw/zinc/29/59/23/613295923.db2.gz KNWKXROBWZOLQB-UHFFFAOYSA-N 1 2 286.419 3.026 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2csc(Cl)c2)C1 ZINC000952400987 613297327 /nfs/dbraw/zinc/29/73/27/613297327.db2.gz ZBLSLTSTYBKRDN-UHFFFAOYSA-N 1 2 298.839 3.124 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000981757684 613373266 /nfs/dbraw/zinc/37/32/66/613373266.db2.gz ZMZPOKMPUIYXIU-HNNXBMFYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000981757684 613373267 /nfs/dbraw/zinc/37/32/67/613373267.db2.gz ZMZPOKMPUIYXIU-HNNXBMFYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964775496 613377565 /nfs/dbraw/zinc/37/75/65/613377565.db2.gz SIRVWWRYEQAVDA-WFASDCNBSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964775496 613377566 /nfs/dbraw/zinc/37/75/66/613377566.db2.gz SIRVWWRYEQAVDA-WFASDCNBSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000951781212 613709047 /nfs/dbraw/zinc/70/90/47/613709047.db2.gz OIXIIGHBEOMZKY-CVEARBPZSA-N 1 2 292.467 3.169 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(C#N)c3)c[nH+]c12 ZINC000255049742 617798226 /nfs/dbraw/zinc/79/82/26/617798226.db2.gz QLRYZPHTIWIODT-FPLPWBNLSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)CN1CCSC1=S ZINC000068320112 618049302 /nfs/dbraw/zinc/04/93/02/618049302.db2.gz RSOGXZHLQDOSNX-UHFFFAOYSA-N 1 2 292.473 3.008 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)CN1CCSC1=S ZINC000068320112 618049308 /nfs/dbraw/zinc/04/93/08/618049308.db2.gz RSOGXZHLQDOSNX-UHFFFAOYSA-N 1 2 292.473 3.008 20 30 CGEDLO CC[N@@H+](Cc1cc(C)nc2c1CCCC2)C[C@H](C)C#N ZINC000891716063 618256906 /nfs/dbraw/zinc/25/69/06/618256906.db2.gz KPEFLEVYHGHLOZ-CYBMUJFWSA-N 1 2 271.408 3.250 20 30 CGEDLO CC[N@H+](Cc1cc(C)nc2c1CCCC2)C[C@H](C)C#N ZINC000891716063 618256913 /nfs/dbraw/zinc/25/69/13/618256913.db2.gz KPEFLEVYHGHLOZ-CYBMUJFWSA-N 1 2 271.408 3.250 20 30 CGEDLO Cc1cc(C)c(CO[NH+]=C(N)Cc2cccnc2)c(C)c1 ZINC000092915121 618389225 /nfs/dbraw/zinc/38/92/25/618389225.db2.gz IMLGKXVYVILBTF-UHFFFAOYSA-N 1 2 283.375 3.038 20 30 CGEDLO N#Cc1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000255477802 618565907 /nfs/dbraw/zinc/56/59/07/618565907.db2.gz YUCWQPGLQJITEH-FPLPWBNLSA-N 1 2 273.295 3.102 20 30 CGEDLO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1O ZINC000926531118 618726759 /nfs/dbraw/zinc/72/67/59/618726759.db2.gz GDRLDDGFTVPUJO-UGFHNGPFSA-N 1 2 296.374 3.207 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(C#N)c1O ZINC000926568279 618747896 /nfs/dbraw/zinc/74/78/96/618747896.db2.gz LFQGMIFUTUCICK-AWEZNQCLSA-N 1 2 271.364 3.244 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(C#N)c1O ZINC000926667244 618812033 /nfs/dbraw/zinc/81/20/33/618812033.db2.gz HBWLTLIPGAKCMC-GUYCJALGSA-N 1 2 295.386 3.331 20 30 CGEDLO CC(=[NH+]OC/C=C\Cl)c1ccc(N)cc1Cl ZINC000309281719 619013199 /nfs/dbraw/zinc/01/31/99/619013199.db2.gz NJXYEEDLWVOUSM-QHFDXLHDSA-N 1 2 259.136 3.415 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(O)cc(Cl)c2)CC1 ZINC000893471670 619186557 /nfs/dbraw/zinc/18/65/57/619186557.db2.gz SVEIKTLAXXPSJR-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO Cc1cccc(C[NH2+]C[C@@H](C)C#N)c1Br ZINC000893543691 619215180 /nfs/dbraw/zinc/21/51/80/619215180.db2.gz FSHBTXKSUJWOES-VIFPVBQESA-N 1 2 267.170 3.007 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773923 619287431 /nfs/dbraw/zinc/28/74/31/619287431.db2.gz PCOXJISWVYROGC-UHFFFAOYSA-N 1 2 279.315 3.106 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773923 619287434 /nfs/dbraw/zinc/28/74/34/619287434.db2.gz PCOXJISWVYROGC-UHFFFAOYSA-N 1 2 279.315 3.106 20 30 CGEDLO CSc1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000894003815 619350437 /nfs/dbraw/zinc/35/04/37/619350437.db2.gz SHTZKBORMXBIEF-UHFFFAOYSA-N 1 2 250.367 3.127 20 30 CGEDLO CSc1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000894003815 619350439 /nfs/dbraw/zinc/35/04/39/619350439.db2.gz SHTZKBORMXBIEF-UHFFFAOYSA-N 1 2 250.367 3.127 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C/c1cccc(F)c1)C1CC1 ZINC000894085147 619366099 /nfs/dbraw/zinc/36/60/99/619366099.db2.gz PGIOFFSTZCFCMD-LQPUYASZSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C/c1cccc(F)c1)C1CC1 ZINC000894085147 619366103 /nfs/dbraw/zinc/36/61/03/619366103.db2.gz PGIOFFSTZCFCMD-LQPUYASZSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cn2c(n1)CCCC2 ZINC000924978406 619472671 /nfs/dbraw/zinc/47/26/71/619472671.db2.gz GTUAFPSRXWJAFT-LBPRGKRZSA-N 1 2 298.365 3.081 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1csc(C#N)c1)C2 ZINC000895389492 619819738 /nfs/dbraw/zinc/81/97/38/619819738.db2.gz UZKMCOOTMMFGEB-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1csc(C#N)c1)C2 ZINC000895389492 619819740 /nfs/dbraw/zinc/81/97/40/619819740.db2.gz UZKMCOOTMMFGEB-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO CC1(C)C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000895825165 619891281 /nfs/dbraw/zinc/89/12/81/619891281.db2.gz FDRCTUUROPMAPZ-UHFFFAOYSA-N 1 2 279.181 3.163 20 30 CGEDLO CO[C@@H]1COCC[C@@H]1C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000840706864 620085804 /nfs/dbraw/zinc/08/58/04/620085804.db2.gz LTGBGOQYFIGLAP-WLNRYVJDSA-N 1 2 299.370 3.016 20 30 CGEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000896983010 620117146 /nfs/dbraw/zinc/11/71/46/620117146.db2.gz XFUAZIYHBJUMKP-GDBMZVCRSA-N 1 2 287.407 3.039 20 30 CGEDLO CC(C)Cn1nccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624509 620411753 /nfs/dbraw/zinc/41/17/53/620411753.db2.gz MQNIHBYMWZPMAO-UHFFFAOYSA-N 1 2 288.420 3.104 20 30 CGEDLO CC(C)Cn1nccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624509 620411762 /nfs/dbraw/zinc/41/17/62/620411762.db2.gz MQNIHBYMWZPMAO-UHFFFAOYSA-N 1 2 288.420 3.104 20 30 CGEDLO C=CC[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1 ZINC000898905647 620608166 /nfs/dbraw/zinc/60/81/66/620608166.db2.gz CSZSILZUUDGXSO-INIZCTEOSA-N 1 2 297.402 3.094 20 30 CGEDLO Cc1[nH]c(/C=C2\CCc3ccccc3C2=O)[nH+]c1C ZINC000901416232 620880695 /nfs/dbraw/zinc/88/06/95/620880695.db2.gz FBNVCYLHSVYODU-UKTHLTGXSA-N 1 2 252.317 3.239 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2ccc(OC)cc2C1=O ZINC000901479054 620891678 /nfs/dbraw/zinc/89/16/78/620891678.db2.gz ZRFMAOOHFNNVAC-MDWZMJQESA-N 1 2 282.343 3.124 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(OC)cc1C ZINC000901520004 620926069 /nfs/dbraw/zinc/92/60/69/620926069.db2.gz SWLHJLVMXZHWJR-VMPITWQZSA-N 1 2 270.332 3.116 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(CSC)oc1=S ZINC000902669632 621396410 /nfs/dbraw/zinc/39/64/10/621396410.db2.gz OMZXKJTVASWMEB-UHFFFAOYSA-N 1 2 287.454 3.314 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(CSC)oc1=S ZINC000902669632 621396411 /nfs/dbraw/zinc/39/64/11/621396411.db2.gz OMZXKJTVASWMEB-UHFFFAOYSA-N 1 2 287.454 3.314 20 30 CGEDLO Cc1csc([C@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)n1 ZINC000902789235 621447229 /nfs/dbraw/zinc/44/72/29/621447229.db2.gz IFYQAHPFGVAXNG-MNOVXSKESA-N 1 2 272.377 3.130 20 30 CGEDLO C#CC[C@@H]([NH2+][C@@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000902888619 621485833 /nfs/dbraw/zinc/48/58/33/621485833.db2.gz UPWNPKQUAFPJPF-GOEBONIOSA-N 1 2 282.391 3.103 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@]1(F)c1ccccc1)c1cc(C#N)ccn1 ZINC000903027060 621543768 /nfs/dbraw/zinc/54/37/68/621543768.db2.gz ZMKOLKWLZGDTLV-VUCTXSBTSA-N 1 2 281.334 3.241 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1cccc(C#N)c1O ZINC000903356919 621713767 /nfs/dbraw/zinc/71/37/67/621713767.db2.gz VJYQPCSKNJOSPI-OCCSQVGLSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@H]([NH2+]CCOC1CCCC1)c1cccc(C#N)c1O ZINC000924841453 622541185 /nfs/dbraw/zinc/54/11/85/622541185.db2.gz JGIJBGXHWKRYQX-INIZCTEOSA-N 1 2 288.391 3.264 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(C#N)cc3)n2c1 ZINC000151375148 622777265 /nfs/dbraw/zinc/77/72/65/622777265.db2.gz OTMCDNVETINOJT-BQYQJAHWSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CCCCC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913710123 623565266 /nfs/dbraw/zinc/56/52/66/623565266.db2.gz CEUFPOAODOWOTM-UHFFFAOYSA-N 1 2 283.375 3.023 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000916269057 624133405 /nfs/dbraw/zinc/13/34/05/624133405.db2.gz OTFAWHHIFULTGC-UHFFFAOYSA-N 1 2 284.319 3.107 20 30 CGEDLO COC(=O)CCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000920991212 624558552 /nfs/dbraw/zinc/55/85/52/624558552.db2.gz QLDOSLPMWOIZSG-PDGQHHTCSA-N 1 2 285.343 3.308 20 30 CGEDLO C#CC[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000835200894 634393181 /nfs/dbraw/zinc/39/31/81/634393181.db2.gz QDGDAFBIHIQCFV-KRWDZBQOSA-N 1 2 296.370 3.136 20 30 CGEDLO C#CC[N@H+](Cc1cnn2ccccc12)Cc1ccc(F)cc1 ZINC000179650327 624673972 /nfs/dbraw/zinc/67/39/72/624673972.db2.gz NURYDSIAEFLYJF-UHFFFAOYSA-N 1 2 293.345 3.109 20 30 CGEDLO C#CC[N@@H+](Cc1cnn2ccccc12)Cc1ccc(F)cc1 ZINC000179650327 624673975 /nfs/dbraw/zinc/67/39/75/624673975.db2.gz NURYDSIAEFLYJF-UHFFFAOYSA-N 1 2 293.345 3.109 20 30 CGEDLO CCCc1ccc(CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000179927414 624699575 /nfs/dbraw/zinc/69/95/75/624699575.db2.gz WPIACEZLWKMHRN-UHFFFAOYSA-N 1 2 283.375 3.066 20 30 CGEDLO CC(C)c1cc(C[NH2+]Cc2csc(C#N)c2)on1 ZINC000921740340 625858673 /nfs/dbraw/zinc/85/86/73/625858673.db2.gz IJILLUYMJPBMJC-UHFFFAOYSA-N 1 2 261.350 3.021 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000839052588 626301935 /nfs/dbraw/zinc/30/19/35/626301935.db2.gz HHZWGMODROTRBX-CZUORRHYSA-N 1 2 295.342 3.111 20 30 CGEDLO CCOCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753585841 626457115 /nfs/dbraw/zinc/45/71/15/626457115.db2.gz BCSPTOGUDIJGLF-QGZVFWFLSA-N 1 2 288.391 3.185 20 30 CGEDLO CCOCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753585841 626457116 /nfs/dbraw/zinc/45/71/16/626457116.db2.gz BCSPTOGUDIJGLF-QGZVFWFLSA-N 1 2 288.391 3.185 20 30 CGEDLO C=CCCOC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754954310 626593804 /nfs/dbraw/zinc/59/38/04/626593804.db2.gz VUOQXRAIXUFWNK-UHFFFAOYSA-N 1 2 297.358 3.130 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000756014799 626669981 /nfs/dbraw/zinc/66/99/81/626669981.db2.gz SYVGSZMXVBHYCX-HIFRSBDPSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000756014799 626669984 /nfs/dbraw/zinc/66/99/84/626669984.db2.gz SYVGSZMXVBHYCX-HIFRSBDPSA-N 1 2 261.365 3.187 20 30 CGEDLO C[C@H](CC1CCCCC1)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000757755811 626806326 /nfs/dbraw/zinc/80/63/26/626806326.db2.gz ZCHJTIKANNCFRL-QAPCUYQASA-N 1 2 289.467 3.265 20 30 CGEDLO C[C@H](CC1CCCCC1)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000757755811 626806329 /nfs/dbraw/zinc/80/63/29/626806329.db2.gz ZCHJTIKANNCFRL-QAPCUYQASA-N 1 2 289.467 3.265 20 30 CGEDLO O=C1c2cc(Cl)ccc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000761205186 627025422 /nfs/dbraw/zinc/02/54/22/627025422.db2.gz HHRVQJXGRVSBHH-JXMROGBWSA-N 1 2 258.708 3.276 20 30 CGEDLO CC(C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000761849402 627066728 /nfs/dbraw/zinc/06/67/28/627066728.db2.gz MVTUHAQRMOEZLX-UHFFFAOYSA-N 1 2 284.359 3.311 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000765500177 627254569 /nfs/dbraw/zinc/25/45/69/627254569.db2.gz OTYXNFDJHZUUTL-LLVKDONJSA-N 1 2 280.755 3.482 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000765500177 627254571 /nfs/dbraw/zinc/25/45/71/627254571.db2.gz OTYXNFDJHZUUTL-LLVKDONJSA-N 1 2 280.755 3.482 20 30 CGEDLO C#CC[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000767950689 627446166 /nfs/dbraw/zinc/44/61/66/627446166.db2.gz PNOMHHKQGZFROP-INIZCTEOSA-N 1 2 293.370 3.006 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc2c(c1)COC2 ZINC000769610390 627569491 /nfs/dbraw/zinc/56/94/91/627569491.db2.gz PNMBXUAMRKYUFD-SREVYHEPSA-N 1 2 290.322 3.261 20 30 CGEDLO C#CCC[N@@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000772300119 627783054 /nfs/dbraw/zinc/78/30/54/627783054.db2.gz UELAMDLZMNCJDI-OAHLLOKOSA-N 1 2 293.794 3.289 20 30 CGEDLO C#CCC[N@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000772300119 627783058 /nfs/dbraw/zinc/78/30/58/627783058.db2.gz UELAMDLZMNCJDI-OAHLLOKOSA-N 1 2 293.794 3.289 20 30 CGEDLO Clc1cnccc1N[NH+]=C1CCCNc2ccccc21 ZINC000774388157 627985162 /nfs/dbraw/zinc/98/51/62/627985162.db2.gz NLAXOTKGFJKWSJ-UHFFFAOYSA-N 1 2 286.766 3.179 20 30 CGEDLO Cc1cc(Br)cc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000774839349 628036630 /nfs/dbraw/zinc/03/66/30/628036630.db2.gz FAKPWGPYUAGYSB-LLVKDONJSA-N 1 2 281.197 3.349 20 30 CGEDLO Cc1cc(Br)cc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000774839349 628036635 /nfs/dbraw/zinc/03/66/35/628036635.db2.gz FAKPWGPYUAGYSB-LLVKDONJSA-N 1 2 281.197 3.349 20 30 CGEDLO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000774878657 628046605 /nfs/dbraw/zinc/04/66/05/628046605.db2.gz VTFBOJFZJVKUSA-NSHDSACASA-N 1 2 281.197 3.492 20 30 CGEDLO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000774878657 628046607 /nfs/dbraw/zinc/04/66/07/628046607.db2.gz VTFBOJFZJVKUSA-NSHDSACASA-N 1 2 281.197 3.492 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000775342356 628084597 /nfs/dbraw/zinc/08/45/97/628084597.db2.gz QOUQFVUDYOWOTR-GJZGRUSLSA-N 1 2 298.411 3.081 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000776189448 628178148 /nfs/dbraw/zinc/17/81/48/628178148.db2.gz GJAOXPMCHXKNDQ-SREVYHEPSA-N 1 2 277.327 3.188 20 30 CGEDLO C=CCN(Cc1cccs1)C(=O)c1cccc2[nH+]ccn21 ZINC000776750227 628230082 /nfs/dbraw/zinc/23/00/82/628230082.db2.gz ODNWAGCJDGYGJY-UHFFFAOYSA-N 1 2 297.383 3.224 20 30 CGEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc(C#N)cc1C ZINC000776746721 628230204 /nfs/dbraw/zinc/23/02/04/628230204.db2.gz XEKDTJUPFOJJNL-UHFFFAOYSA-N 1 2 293.370 3.416 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000780474594 628491980 /nfs/dbraw/zinc/49/19/80/628491980.db2.gz YGLPODUOEMXGNF-CABCVRRESA-N 1 2 261.365 3.187 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000780474594 628491984 /nfs/dbraw/zinc/49/19/84/628491984.db2.gz YGLPODUOEMXGNF-CABCVRRESA-N 1 2 261.365 3.187 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2F)nc1 ZINC000780553511 628498726 /nfs/dbraw/zinc/49/87/26/628498726.db2.gz BXIKXWUDXLMTIQ-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccnc(F)c2)cc1 ZINC000781134008 628540220 /nfs/dbraw/zinc/54/02/20/628540220.db2.gz OFQMJGOSPLBSOC-UHFFFAOYSA-N 1 2 297.337 3.017 20 30 CGEDLO C=CC[N@@H+](Cc1ccnc(N(C)C)c1)Cc1ccccc1F ZINC000782173606 628619845 /nfs/dbraw/zinc/61/98/45/628619845.db2.gz DLXVYEUOKIVGCV-UHFFFAOYSA-N 1 2 299.393 3.475 20 30 CGEDLO C=CC[N@H+](Cc1ccnc(N(C)C)c1)Cc1ccccc1F ZINC000782173606 628619847 /nfs/dbraw/zinc/61/98/47/628619847.db2.gz DLXVYEUOKIVGCV-UHFFFAOYSA-N 1 2 299.393 3.475 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(C#N)c(C)c2)ccc1F ZINC000783029642 628673612 /nfs/dbraw/zinc/67/36/12/628673612.db2.gz URJBLDNVWUEQAO-UHFFFAOYSA-N 1 2 297.333 3.151 20 30 CGEDLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000783292123 628699686 /nfs/dbraw/zinc/69/96/86/628699686.db2.gz XCZZDZLEUBCDJL-ZYHUDNBSSA-N 1 2 284.338 3.208 20 30 CGEDLO CCCCCCCCC[S@@](=O)Cc1c[nH+]cn1C ZINC000790139212 629185993 /nfs/dbraw/zinc/18/59/93/629185993.db2.gz JSFYDIXHYNTPIV-GOSISDBHSA-N 1 2 270.442 3.419 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791582741 629291243 /nfs/dbraw/zinc/29/12/43/629291243.db2.gz CMBZTUKIUJFRRB-YUMQZZPRSA-N 1 2 272.108 3.168 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791582741 629291247 /nfs/dbraw/zinc/29/12/47/629291247.db2.gz CMBZTUKIUJFRRB-YUMQZZPRSA-N 1 2 272.108 3.168 20 30 CGEDLO C#Cc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000792634046 629372189 /nfs/dbraw/zinc/37/21/89/629372189.db2.gz ZDYMKSDNVWXNOB-UHFFFAOYSA-N 1 2 271.323 3.084 20 30 CGEDLO C[C@@H](O[NH+]=C(N)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000794727019 629573277 /nfs/dbraw/zinc/57/32/77/629573277.db2.gz RIVFNGVLGYHOLC-GFCCVEGCSA-N 1 2 297.333 3.500 20 30 CGEDLO C#CCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000119551496 629616660 /nfs/dbraw/zinc/61/66/60/629616660.db2.gz RTGPNSWHAGLKPL-UHFFFAOYSA-N 1 2 267.332 3.004 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1ncn(-c2ccccc2)c1=S ZINC000119736589 629705608 /nfs/dbraw/zinc/70/56/08/629705608.db2.gz VGXAXHHNMAXFDU-UHFFFAOYSA-N 1 2 288.420 3.259 20 30 CGEDLO C=CCCC[N@H+](C)Cn1ncn(-c2ccccc2)c1=S ZINC000119736589 629705624 /nfs/dbraw/zinc/70/56/24/629705624.db2.gz VGXAXHHNMAXFDU-UHFFFAOYSA-N 1 2 288.420 3.259 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC(C)(C)OC)c1 ZINC000864346886 629814951 /nfs/dbraw/zinc/81/49/51/629814951.db2.gz GETOHTHDGHFIAW-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO C#CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000809717428 630789450 /nfs/dbraw/zinc/78/94/50/630789450.db2.gz ICBISUBYTCQAMH-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO C#CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1ccccc1 ZINC000809717428 630789454 /nfs/dbraw/zinc/78/94/54/630789454.db2.gz ICBISUBYTCQAMH-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4ccc(C#N)cc4C3=O)n2c1 ZINC000811696991 631111683 /nfs/dbraw/zinc/11/16/83/631111683.db2.gz XJRAJCAMOAPLSR-OVCLIPMQSA-N 1 2 299.333 3.337 20 30 CGEDLO C#C[C@@H](Nc1cc(C)[nH+]c(CC)n1)c1ccc(F)cc1 ZINC000812486538 631267828 /nfs/dbraw/zinc/26/78/28/631267828.db2.gz UYJVOYZWWCRLEG-CQSZACIVSA-N 1 2 269.323 3.273 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000813854781 631470281 /nfs/dbraw/zinc/47/02/81/631470281.db2.gz FDLOFTNDKCRWKC-INIZCTEOSA-N 1 2 295.390 3.088 20 30 CGEDLO CC(C)(C)C(C)(C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000814183451 631541615 /nfs/dbraw/zinc/54/16/15/631541615.db2.gz IWXBPLRJQTYMBK-LZYBPNLTSA-N 1 2 265.353 3.295 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332240 632752693 /nfs/dbraw/zinc/75/26/93/632752693.db2.gz MHGASNKLISGRFO-LBPRGKRZSA-N 1 2 281.197 3.170 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821332240 632752696 /nfs/dbraw/zinc/75/26/96/632752696.db2.gz MHGASNKLISGRFO-LBPRGKRZSA-N 1 2 281.197 3.170 20 30 CGEDLO COCc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866234544 633038018 /nfs/dbraw/zinc/03/80/18/633038018.db2.gz NJCQOVKWQWKJSR-CYBMUJFWSA-N 1 2 296.370 3.261 20 30 CGEDLO C[C@H]([NH2+]CC1CCSCC1)c1cccc(C#N)c1O ZINC000866264839 633051399 /nfs/dbraw/zinc/05/13/99/633051399.db2.gz FDEVIJIBOSXMJO-NSHDSACASA-N 1 2 276.405 3.058 20 30 CGEDLO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866272626 633057731 /nfs/dbraw/zinc/05/77/31/633057731.db2.gz XXMHJPKCYFXKKD-GUYCJALGSA-N 1 2 290.407 3.102 20 30 CGEDLO CCO[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866278413 633062560 /nfs/dbraw/zinc/06/25/60/633062560.db2.gz ZDRBYZQBTHEEOG-XJKSGUPXSA-N 1 2 290.407 3.366 20 30 CGEDLO C[C@H]([NH2+]CCCc1nccs1)c1cccc(C#N)c1O ZINC000866299702 633069745 /nfs/dbraw/zinc/06/97/45/633069745.db2.gz OMNLACKFFUYJKK-NSHDSACASA-N 1 2 287.388 3.004 20 30 CGEDLO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccc(C#N)c1O ZINC000866339022 633087624 /nfs/dbraw/zinc/08/76/24/633087624.db2.gz BMEVVSXVKJZXEO-GFCCVEGCSA-N 1 2 278.355 3.082 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@H](C)CC#N)c2)[nH+]c1C ZINC000823353528 633092530 /nfs/dbraw/zinc/09/25/30/633092530.db2.gz QEVZJUNTAWVYSD-SNVBAGLBSA-N 1 2 282.347 3.182 20 30 CGEDLO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C#N)c1O ZINC000866352462 633094448 /nfs/dbraw/zinc/09/44/48/633094448.db2.gz JVAYBVFXUKMCBF-HSBZDZAISA-N 1 2 283.375 3.244 20 30 CGEDLO COCC(C)(C)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866356164 633096758 /nfs/dbraw/zinc/09/67/58/633096758.db2.gz JMUPGZUPGUZNMF-CYBMUJFWSA-N 1 2 290.407 3.367 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1O ZINC000866373719 633109317 /nfs/dbraw/zinc/10/93/17/633109317.db2.gz QRCWRRWKOTVQJL-HKCMKHECSA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cscn1 ZINC000866389556 633116949 /nfs/dbraw/zinc/11/69/49/633116949.db2.gz VLIMVDZGGWCRMX-UWVGGRQHSA-N 1 2 273.361 3.132 20 30 CGEDLO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000866402900 633124167 /nfs/dbraw/zinc/12/41/67/633124167.db2.gz MVGDZVMBQATCRJ-VXGBXAGGSA-N 1 2 276.405 3.058 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCC1 ZINC000826704220 633426880 /nfs/dbraw/zinc/42/68/80/633426880.db2.gz QEVXNIWTANYHKR-MRXNPFEDSA-N 1 2 284.403 3.036 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCC1 ZINC000826704220 633426881 /nfs/dbraw/zinc/42/68/81/633426881.db2.gz QEVXNIWTANYHKR-MRXNPFEDSA-N 1 2 284.403 3.036 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1Cl ZINC000827650363 633507685 /nfs/dbraw/zinc/50/76/85/633507685.db2.gz PSRPIKYIFJEREX-AWEZNQCLSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)cc1Cl ZINC000827650363 633507690 /nfs/dbraw/zinc/50/76/90/633507690.db2.gz PSRPIKYIFJEREX-AWEZNQCLSA-N 1 2 264.756 3.090 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000828216564 633585706 /nfs/dbraw/zinc/58/57/06/633585706.db2.gz RJGUQEALYKQVPE-HNNXBMFYSA-N 1 2 297.402 3.269 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486110 633619016 /nfs/dbraw/zinc/61/90/16/633619016.db2.gz CANGYKGTZIEUHR-MWLCHTKSSA-N 1 2 261.196 3.194 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486110 633619020 /nfs/dbraw/zinc/61/90/20/633619020.db2.gz CANGYKGTZIEUHR-MWLCHTKSSA-N 1 2 261.196 3.194 20 30 CGEDLO COCc1cc[nH+]c(NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000846118430 636147481 /nfs/dbraw/zinc/14/74/81/636147481.db2.gz XUIIERXYFNGCKZ-ZDUSSCGKSA-N 1 2 297.358 3.131 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OCC ZINC000877671849 635140969 /nfs/dbraw/zinc/14/09/69/635140969.db2.gz QEPKRIMWCHXHRM-CHWSQXEVSA-N 1 2 271.788 3.149 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000841899143 635250789 /nfs/dbraw/zinc/25/07/89/635250789.db2.gz SRDSSRIOCCFZFE-UHFFFAOYSA-N 1 2 279.727 3.032 20 30 CGEDLO NC(=[NH+]OC[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 ZINC000842019230 635256382 /nfs/dbraw/zinc/25/63/82/635256382.db2.gz JLDZZLWVEDWFBE-VIFPVBQESA-N 1 2 288.725 3.412 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034175 635331471 /nfs/dbraw/zinc/33/14/71/635331471.db2.gz ANMMYBXVGMCWKB-RNCFNFMXSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034175 635331480 /nfs/dbraw/zinc/33/14/80/635331480.db2.gz ANMMYBXVGMCWKB-RNCFNFMXSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@H]([NH2+]CCC#N)c1ccc(-c2ccccc2)cn1 ZINC000845964589 636124791 /nfs/dbraw/zinc/12/47/91/636124791.db2.gz ISNXVRAPKOYLFE-ZDUSSCGKSA-N 1 2 251.333 3.313 20 30 CGEDLO Cc1cc(C#N)ccc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000846753753 636228903 /nfs/dbraw/zinc/22/89/03/636228903.db2.gz VFUUOVBGMHPFCW-CXAGYDPISA-N 1 2 280.375 3.151 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000846994325 636303978 /nfs/dbraw/zinc/30/39/78/636303978.db2.gz PYZFGSLXCIRNAE-LBPRGKRZSA-N 1 2 280.755 3.030 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022940 636314261 /nfs/dbraw/zinc/31/42/61/636314261.db2.gz KDQFHPSWVQVHMZ-CHWSQXEVSA-N 1 2 290.794 3.012 20 30 CGEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022940 636314262 /nfs/dbraw/zinc/31/42/62/636314262.db2.gz KDQFHPSWVQVHMZ-CHWSQXEVSA-N 1 2 290.794 3.012 20 30 CGEDLO c1cn(CCCNN=C2CCCCC23CCCC3)c[nH+]1 ZINC000848416738 636571882 /nfs/dbraw/zinc/57/18/82/636571882.db2.gz WBBLRSPBLFYHHS-UHFFFAOYSA-N 1 2 274.412 3.353 20 30 CGEDLO C[C@H]1C(=NNCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000848417550 636573096 /nfs/dbraw/zinc/57/30/96/636573096.db2.gz AZDDHMHZEIAALL-GDBMZVCRSA-N 1 2 282.391 3.042 20 30 CGEDLO CC(=[NH+]Nc1ccc(C)cn1)c1c(C)cc(N)cc1C ZINC000884425885 637024623 /nfs/dbraw/zinc/02/46/23/637024623.db2.gz VPIJAPSBDIGWIS-UHFFFAOYSA-N 1 2 268.364 3.425 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(CC)cc2)no1 ZINC000852097844 637590456 /nfs/dbraw/zinc/59/04/56/637590456.db2.gz XXPZGLYGLPZKKN-QGZVFWFLSA-N 1 2 283.375 3.191 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852319365 637633725 /nfs/dbraw/zinc/63/37/25/637633725.db2.gz LALSATLIQSQZHU-HNNXBMFYSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852319365 637633731 /nfs/dbraw/zinc/63/37/31/637633731.db2.gz LALSATLIQSQZHU-HNNXBMFYSA-N 1 2 299.418 3.374 20 30 CGEDLO CCCCCCCC[C@H](C)C(=O)NCc1c[nH+]cn1C ZINC000854498713 638061042 /nfs/dbraw/zinc/06/10/42/638061042.db2.gz KOXMRIIRNILTGP-AWEZNQCLSA-N 1 2 279.428 3.423 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)SC)c1cccc(C#N)c1O ZINC000925192715 638472444 /nfs/dbraw/zinc/47/24/44/638472444.db2.gz WPEWYLGQIBQRQI-ZDUSSCGKSA-N 1 2 278.421 3.446 20 30 CGEDLO C=CCSc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981465 638612776 /nfs/dbraw/zinc/61/27/76/638612776.db2.gz FHUOGTZRTOTEEL-ZDUSSCGKSA-N 1 2 299.399 3.036 20 30 CGEDLO CCCCCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000858110582 638630269 /nfs/dbraw/zinc/63/02/69/638630269.db2.gz DHDAEAPXEIBGIQ-UHFFFAOYSA-N 1 2 292.427 3.269 20 30 CGEDLO C=C1CCC(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000926925082 638826476 /nfs/dbraw/zinc/82/64/76/638826476.db2.gz HKJIZKRQNSYUHU-CQSZACIVSA-N 1 2 288.420 3.292 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H](C2CC2)O1 ZINC000930268901 638987355 /nfs/dbraw/zinc/98/73/55/638987355.db2.gz FCKGFFXZFVRSAW-BDJLRTHQSA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H](C2CC2)O1 ZINC000930268901 638987358 /nfs/dbraw/zinc/98/73/58/638987358.db2.gz FCKGFFXZFVRSAW-BDJLRTHQSA-N 1 2 290.794 3.211 20 30 CGEDLO CCCCCCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000858650178 639005971 /nfs/dbraw/zinc/00/59/71/639005971.db2.gz NWYDTEGJSJPSAJ-UHFFFAOYSA-N 1 2 264.369 3.179 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000930820388 639072962 /nfs/dbraw/zinc/07/29/62/639072962.db2.gz NZUDBZJVYZRVBX-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000930820388 639072966 /nfs/dbraw/zinc/07/29/66/639072966.db2.gz NZUDBZJVYZRVBX-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859155915 639092721 /nfs/dbraw/zinc/09/27/21/639092721.db2.gz WJOANVRNJMNOQF-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859155915 639092723 /nfs/dbraw/zinc/09/27/23/639092723.db2.gz WJOANVRNJMNOQF-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO C#CC[N@H+](Cc1nc(CCc2ccccc2)no1)C(C)(C)C ZINC000932462660 639337420 /nfs/dbraw/zinc/33/74/20/639337420.db2.gz CBSOJQVVMCNRAS-UHFFFAOYSA-N 1 2 297.402 3.089 20 30 CGEDLO C#CC[N@@H+](Cc1nc(CCc2ccccc2)no1)C(C)(C)C ZINC000932462660 639337427 /nfs/dbraw/zinc/33/74/27/639337427.db2.gz CBSOJQVVMCNRAS-UHFFFAOYSA-N 1 2 297.402 3.089 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934511334 639623277 /nfs/dbraw/zinc/62/32/77/639623277.db2.gz SGEJZDDCCZWWNT-CQSZACIVSA-N 1 2 281.359 3.033 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934511334 639623283 /nfs/dbraw/zinc/62/32/83/639623283.db2.gz SGEJZDDCCZWWNT-CQSZACIVSA-N 1 2 281.359 3.033 20 30 CGEDLO C#CCCCCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194997176 640562967 /nfs/dbraw/zinc/56/29/67/640562967.db2.gz ZRJJBSGMDSHARZ-MRXNPFEDSA-N 1 2 273.376 3.026 20 30 CGEDLO CSc1cc[nH+]c(NCc2ccccc2C#N)c1 ZINC001156787163 805735924 /nfs/dbraw/zinc/73/59/24/805735924.db2.gz ZPAWKQVNWFXOLZ-UHFFFAOYSA-N 1 2 255.346 3.287 20 30 CGEDLO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)nc(C2CC2)[nH+]1 ZINC001157055585 805770187 /nfs/dbraw/zinc/77/01/87/805770187.db2.gz ZZLFELLQPDOXNG-AULYBMBSSA-N 1 2 256.353 3.157 20 30 CGEDLO CCCCCCCC[C@@H](O)CN1CC[N@H+](C)C(C)(C)C1 ZINC001252129901 806016334 /nfs/dbraw/zinc/01/63/34/806016334.db2.gz GQDOZTBVEMBWMP-MRXNPFEDSA-N 1 2 284.488 3.124 20 30 CGEDLO CCCCCCCC[C@@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC001252129901 806016344 /nfs/dbraw/zinc/01/63/44/806016344.db2.gz GQDOZTBVEMBWMP-MRXNPFEDSA-N 1 2 284.488 3.124 20 30 CGEDLO C=CCCCNc1[nH+]cc(C)cc1C(OC)OC ZINC001159262249 806069309 /nfs/dbraw/zinc/06/93/09/806069309.db2.gz KDVHHXCSFMWIEC-UHFFFAOYSA-N 1 2 250.342 3.060 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1[nH+]cccc1OC ZINC001253231965 806185473 /nfs/dbraw/zinc/18/54/73/806185473.db2.gz FBPZDKBJZSQDNY-CQSZACIVSA-N 1 2 278.396 3.390 20 30 CGEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc(N)cc(Cl)[nH+]1 ZINC001159914969 806198193 /nfs/dbraw/zinc/19/81/93/806198193.db2.gz ZLZCYUWMIHHVKK-CYBMUJFWSA-N 1 2 284.750 3.288 20 30 CGEDLO Cc1c[nH+]c(NCC2(c3ccccc3)CC2)c(/C=N/O)c1 ZINC001160262498 806245173 /nfs/dbraw/zinc/24/51/73/806245173.db2.gz LESIFZVHGOUWRR-RGVLZGJSSA-N 1 2 281.359 3.342 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3ccc(C#N)c(C)n3)c[nH+]c12 ZINC001160686508 806296676 /nfs/dbraw/zinc/29/66/76/806296676.db2.gz JVJLIPXSAKWOBA-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165230 806563837 /nfs/dbraw/zinc/56/38/37/806563837.db2.gz VXHIUYQBVULXSK-BBRMVZONSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165230 806563840 /nfs/dbraw/zinc/56/38/40/806563840.db2.gz VXHIUYQBVULXSK-BBRMVZONSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001255173318 806566441 /nfs/dbraw/zinc/56/64/41/806566441.db2.gz KHYGQYWDIMYQFL-MGPQQGTHSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001255173318 806566449 /nfs/dbraw/zinc/56/64/49/806566449.db2.gz KHYGQYWDIMYQFL-MGPQQGTHSA-N 1 2 295.427 3.056 20 30 CGEDLO CCOC(=O)C1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001255251552 806584071 /nfs/dbraw/zinc/58/40/71/806584071.db2.gz QPVKFUIMIIRWRB-UHFFFAOYSA-N 1 2 292.423 3.314 20 30 CGEDLO CC1(C)CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001255303860 806601654 /nfs/dbraw/zinc/60/16/54/806601654.db2.gz BZHPFIAPPYUJPA-ZDUSSCGKSA-N 1 2 265.422 3.229 20 30 CGEDLO CC1(C)CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001255303860 806601660 /nfs/dbraw/zinc/60/16/60/806601660.db2.gz BZHPFIAPPYUJPA-ZDUSSCGKSA-N 1 2 265.422 3.229 20 30 CGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001255298574 806599520 /nfs/dbraw/zinc/59/95/20/806599520.db2.gz DPGRIMATOXJACD-BLLLJJGKSA-N 1 2 265.397 3.053 20 30 CGEDLO CCOC(=O)CCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000126764529 799009361 /nfs/dbraw/zinc/00/93/61/799009361.db2.gz ULANNIUBJCZJNB-LDADJPATSA-N 1 2 285.343 3.308 20 30 CGEDLO C[C@H]1CCC[C@H](C)N1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163546831 806781434 /nfs/dbraw/zinc/78/14/34/806781434.db2.gz SMDANKXXOFKWAH-QWRGUYRKSA-N 1 2 254.337 3.202 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000703849083 799931695 /nfs/dbraw/zinc/93/16/95/799931695.db2.gz MWCFTBZNKHOOMZ-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000703849083 799931700 /nfs/dbraw/zinc/93/17/00/799931700.db2.gz MWCFTBZNKHOOMZ-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC(=O)C=C(C)Nc1c[nH+]c2cccc(Br)n12 ZINC001163739789 806814256 /nfs/dbraw/zinc/81/42/56/806814256.db2.gz ZEKWBBPYHTUGBG-VURMDHGXSA-N 1 2 294.152 3.002 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1cccc(C#N)c1O ZINC000822658632 800463558 /nfs/dbraw/zinc/46/35/58/800463558.db2.gz FWGLPROXVSBOCD-IUODEOHRSA-N 1 2 298.390 3.282 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(OC)ncc1Br ZINC000934459831 800678435 /nfs/dbraw/zinc/67/84/35/800678435.db2.gz MEDINLLJSLXJRE-LLVKDONJSA-N 1 2 297.196 3.003 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(OC)ncc1Br ZINC000934459831 800678438 /nfs/dbraw/zinc/67/84/38/800678438.db2.gz MEDINLLJSLXJRE-LLVKDONJSA-N 1 2 297.196 3.003 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001030687989 800893593 /nfs/dbraw/zinc/89/35/93/800893593.db2.gz LGECWEFMYLWCKI-UHFFFAOYSA-N 1 2 298.430 3.334 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753317 800981922 /nfs/dbraw/zinc/98/19/22/800981922.db2.gz PHIKTLUQTQNUJG-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753317 800981926 /nfs/dbraw/zinc/98/19/26/800981926.db2.gz PHIKTLUQTQNUJG-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001044244216 801231870 /nfs/dbraw/zinc/23/18/70/801231870.db2.gz VGWGLJUFTMQWRH-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc3ccccc32)C1 ZINC001044255361 801235483 /nfs/dbraw/zinc/23/54/83/801235483.db2.gz FWFKIDHSVFJVGN-UHFFFAOYSA-N 1 2 294.398 3.172 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815259 801657548 /nfs/dbraw/zinc/65/75/48/801657548.db2.gz JJXUDCXUBZNQIX-QHSBEEBCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815259 801657555 /nfs/dbraw/zinc/65/75/55/801657555.db2.gz JJXUDCXUBZNQIX-QHSBEEBCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C\Cl)CC1 ZINC001085802141 801705497 /nfs/dbraw/zinc/70/54/97/801705497.db2.gz MBPRGTMDHYVLIC-YHTRPRNISA-N 1 2 296.842 3.018 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C\Cl)CC1 ZINC001085802141 801705503 /nfs/dbraw/zinc/70/55/03/801705503.db2.gz MBPRGTMDHYVLIC-YHTRPRNISA-N 1 2 296.842 3.018 20 30 CGEDLO CCCCCCCCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093599531 801867974 /nfs/dbraw/zinc/86/79/74/801867974.db2.gz LCGLVXVZBGVCJI-UHFFFAOYSA-N 1 2 292.427 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCC)C2 ZINC001109222355 802111618 /nfs/dbraw/zinc/11/16/18/802111618.db2.gz PAIOBFYXSLMWFP-RZFFKMDDSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCC)C2 ZINC001109222355 802111620 /nfs/dbraw/zinc/11/16/20/802111620.db2.gz PAIOBFYXSLMWFP-RZFFKMDDSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109923456 802127016 /nfs/dbraw/zinc/12/70/16/802127016.db2.gz HVUSWUYNJBDNNK-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109923456 802127023 /nfs/dbraw/zinc/12/70/23/802127023.db2.gz HVUSWUYNJBDNNK-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC001113524017 802229475 /nfs/dbraw/zinc/22/94/75/802229475.db2.gz XYMJGODPFYSRNS-INIZCTEOSA-N 1 2 280.456 3.313 20 30 CGEDLO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172359787 808254441 /nfs/dbraw/zinc/25/44/41/808254441.db2.gz DBVKHXZISGRJDQ-RDBSUJKOSA-N 1 2 253.386 3.125 20 30 CGEDLO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172359787 808254444 /nfs/dbraw/zinc/25/44/44/808254444.db2.gz DBVKHXZISGRJDQ-RDBSUJKOSA-N 1 2 253.386 3.125 20 30 CGEDLO C=CC[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(=O)OCC ZINC001116775231 802409080 /nfs/dbraw/zinc/40/90/80/802409080.db2.gz MKZULZAHTTVNOY-AVVWSFFYSA-N 1 2 291.366 3.169 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccsc1 ZINC001117351514 802463326 /nfs/dbraw/zinc/46/33/26/802463326.db2.gz SVMHSCQBGLBJCW-WAYWQWQTSA-N 1 2 258.346 3.105 20 30 CGEDLO C=CCO[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC001118123216 802526706 /nfs/dbraw/zinc/52/67/06/802526706.db2.gz HAMJKPFDVVEBBN-CQSZACIVSA-N 1 2 272.323 3.155 20 30 CGEDLO Cc1nnn([NH+]=C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC001119298195 802644620 /nfs/dbraw/zinc/64/46/20/802644620.db2.gz ABHYFZALSATNJH-WDEREUQCSA-N 1 2 274.290 3.098 20 30 CGEDLO C=CC1(CC(=O)OCCCc2c[nH+]cn2C)CCCCC1 ZINC001122974074 802896796 /nfs/dbraw/zinc/89/67/96/802896796.db2.gz RJSJZOMQJRVZQP-UHFFFAOYSA-N 1 2 290.407 3.423 20 30 CGEDLO C=C[C@@H](CC(=O)OCCCc1c[nH+]cn1C)c1ccccc1 ZINC001123066094 802908324 /nfs/dbraw/zinc/90/83/24/802908324.db2.gz NRHSWKSAPHJUIL-HNNXBMFYSA-N 1 2 298.386 3.256 20 30 CGEDLO Cc1ccc(-c2cc[nH+]c(N3CCOCC3)c2)c(C)c1C#N ZINC001243902423 803068015 /nfs/dbraw/zinc/06/80/15/803068015.db2.gz CERWTGSCSYSAEY-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO Cc1cc(-c2cc(C#N)ccc2F)c2[nH+]ccn2c1 ZINC001244555570 803436428 /nfs/dbraw/zinc/43/64/28/803436428.db2.gz SHDMYAGDXMSGOG-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cc1cc(CO)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001244581828 803452688 /nfs/dbraw/zinc/45/26/88/803452688.db2.gz BWYASYCEDCYRDQ-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO Cc1cc(N2CCOCC2)[nH+]cc1-c1cccc(C#N)c1C ZINC001244814796 803534069 /nfs/dbraw/zinc/53/40/69/803534069.db2.gz HVNJANFQBXFQJB-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(N2CCCC2)o1 ZINC001137068049 803679599 /nfs/dbraw/zinc/67/95/99/803679599.db2.gz SYMGOPXCFUFMNG-UHFFFAOYSA-N 1 2 261.369 3.005 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(N2CCCC2)o1 ZINC001137068049 803679603 /nfs/dbraw/zinc/67/96/03/803679603.db2.gz SYMGOPXCFUFMNG-UHFFFAOYSA-N 1 2 261.369 3.005 20 30 CGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001137596775 803742402 /nfs/dbraw/zinc/74/24/02/803742402.db2.gz BAIOFZCCNKPDLK-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001137596775 803742405 /nfs/dbraw/zinc/74/24/05/803742405.db2.gz BAIOFZCCNKPDLK-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(C#N)cc2)cc1C#N ZINC001245497114 803768599 /nfs/dbraw/zinc/76/85/99/803768599.db2.gz QLSKNUQPRLGUGK-UDWIEESQSA-N 1 2 274.327 3.318 20 30 CGEDLO Cc1cc(-c2ccc3nc(C#N)ccc3c2)c[nH+]c1N ZINC001245540035 803798317 /nfs/dbraw/zinc/79/83/17/803798317.db2.gz LUDQKXRLYYPPKT-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO CCOc1ccc(C)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001139607134 804224498 /nfs/dbraw/zinc/22/44/98/804224498.db2.gz HGTONFKXFGRSNX-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(C)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001139607134 804224505 /nfs/dbraw/zinc/22/45/05/804224505.db2.gz HGTONFKXFGRSNX-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO N#Cc1ccc(Br)cc1C[NH+]1CC2CC(C2)C1 ZINC001141905136 804679011 /nfs/dbraw/zinc/67/90/11/804679011.db2.gz SEGFBURUZVMPNB-UHFFFAOYSA-N 1 2 291.192 3.163 20 30 CGEDLO C[C@H]1COCC[N@@H+]1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972309 804683621 /nfs/dbraw/zinc/68/36/21/804683621.db2.gz GLAJEIFKLJNVTF-HNNXBMFYSA-N 1 2 297.423 3.369 20 30 CGEDLO C[C@H]1COCC[N@H+]1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972309 804683625 /nfs/dbraw/zinc/68/36/25/804683625.db2.gz GLAJEIFKLJNVTF-HNNXBMFYSA-N 1 2 297.423 3.369 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001143495475 804858436 /nfs/dbraw/zinc/85/84/36/804858436.db2.gz LHNGXIDQJNESRZ-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143495475 804858443 /nfs/dbraw/zinc/85/84/43/804858443.db2.gz LHNGXIDQJNESRZ-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO C=CCCCCCCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC001144797595 805055745 /nfs/dbraw/zinc/05/57/45/805055745.db2.gz FCNUEULHWAQNCX-UHFFFAOYSA-N 1 2 291.439 3.386 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cccc(Cl)c1C(=O)OC ZINC001249646534 805200761 /nfs/dbraw/zinc/20/07/61/805200761.db2.gz APLPLJXGWFUSKJ-UHFFFAOYSA-N 1 2 279.767 3.301 20 30 CGEDLO C[N@H+](Cc1cccc2c1OCO2)Cc1cccc(C#N)c1F ZINC001249693378 805214313 /nfs/dbraw/zinc/21/43/13/805214313.db2.gz LIZCYHLWBXZHHH-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1cccc(C#N)c1F ZINC001249693378 805214319 /nfs/dbraw/zinc/21/43/19/805214319.db2.gz LIZCYHLWBXZHHH-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C#N)cc2)c[nH+]1 ZINC001249706264 805219991 /nfs/dbraw/zinc/21/99/91/805219991.db2.gz FSOAFXDZHKFYAS-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)cn1 ZINC001250316840 805562469 /nfs/dbraw/zinc/56/24/69/805562469.db2.gz ATRCDQWYURLJKC-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)cn1 ZINC001250316840 805562470 /nfs/dbraw/zinc/56/24/70/805562470.db2.gz ATRCDQWYURLJKC-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CC[C@@H](C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257825458 807222280 /nfs/dbraw/zinc/22/22/80/807222280.db2.gz AGICLACBUZZJHI-GTPINHCMSA-N 1 2 272.392 3.406 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258028656 807268844 /nfs/dbraw/zinc/26/88/44/807268844.db2.gz NUIBKRQHGWGDCL-XUJLQICISA-N 1 2 280.412 3.170 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CC(C)(C)SC)C(=O)OCC ZINC001258326381 807410819 /nfs/dbraw/zinc/41/08/19/807410819.db2.gz IHHKHLOFGHKIPK-JMSVASOKSA-N 1 2 285.453 3.004 20 30 CGEDLO C#C[C@@](C)(CC)Nc1ccc2c(cccc2OC)[nH+]1 ZINC001169694046 807689751 /nfs/dbraw/zinc/68/97/51/807689751.db2.gz ZZSRBZXKQJQDLI-INIZCTEOSA-N 1 2 254.333 3.457 20 30 CGEDLO CC(C)(S)CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001170305211 807823683 /nfs/dbraw/zinc/82/36/83/807823683.db2.gz QXLMDVFOAMXBFN-UHFFFAOYSA-N 1 2 273.405 3.188 20 30 CGEDLO COC(=O)c1cccc([C@@H](C)Nc2[nH+]cccc2CC#N)c1 ZINC001171102218 807984101 /nfs/dbraw/zinc/98/41/01/807984101.db2.gz KSQDGFZXLBLGIP-GFCCVEGCSA-N 1 2 295.342 3.107 20 30 CGEDLO C=Cc1ncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cn1 ZINC001171186215 808003235 /nfs/dbraw/zinc/00/32/35/808003235.db2.gz OXHFISNBUYHZLZ-UHFFFAOYSA-N 1 2 290.326 3.015 20 30 CGEDLO N#CC1(c2cc[nH+]c(N[C@@H]3COCc4ccccc43)c2)CC1 ZINC001171292050 808019457 /nfs/dbraw/zinc/01/94/57/808019457.db2.gz LTTYZTWDRZDZCV-MRXNPFEDSA-N 1 2 291.354 3.320 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCCOc1ccc(C#N)cc1 ZINC001171484522 808074162 /nfs/dbraw/zinc/07/41/62/808074162.db2.gz LXPUDRDXJUQYHN-UHFFFAOYSA-N 1 2 297.358 3.231 20 30 CGEDLO Cc1c[nH+]cc(NCCOc2ccc(C#N)cc2)c1C ZINC001171484729 808074299 /nfs/dbraw/zinc/07/42/99/808074299.db2.gz WPGTUGWNMPWDOM-UHFFFAOYSA-N 1 2 267.332 3.061 20 30 CGEDLO COc1cccc(Nc2cccc3[nH+]c[nH]c32)c1C#N ZINC001213032560 815206769 /nfs/dbraw/zinc/20/67/69/815206769.db2.gz LVEBZVNBSIZOSR-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1C#N ZINC001213032800 815207080 /nfs/dbraw/zinc/20/70/80/815207080.db2.gz YJJOPCZWZCPPBR-UHFFFAOYSA-N 1 2 259.272 3.050 20 30 CGEDLO COc1cc(C#N)cc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213034260 815208540 /nfs/dbraw/zinc/20/85/40/815208540.db2.gz AASMWUGRFBEZPP-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO CO[C@H]1CCC[C@@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001172917192 808478966 /nfs/dbraw/zinc/47/89/66/808478966.db2.gz BHXOGODMOWVEGL-KGLIPLIRSA-N 1 2 250.386 3.150 20 30 CGEDLO CCCOC1CCC([NH2+][C@H](C#N)CC(C)C)CC1 ZINC001173094937 808506901 /nfs/dbraw/zinc/50/69/01/808506901.db2.gz WNHOGKQCTQGXCR-SLTAFYQDSA-N 1 2 252.402 3.252 20 30 CGEDLO CCCOC1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001173100917 808510093 /nfs/dbraw/zinc/51/00/93/808510093.db2.gz YWDDEDSZZJMSTQ-SLTAFYQDSA-N 1 2 250.386 3.102 20 30 CGEDLO CCCOC1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001173100917 808510095 /nfs/dbraw/zinc/51/00/95/808510095.db2.gz YWDDEDSZZJMSTQ-SLTAFYQDSA-N 1 2 250.386 3.102 20 30 CGEDLO CC[C@H](C#N)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173198776 808534898 /nfs/dbraw/zinc/53/48/98/808534898.db2.gz GIVUVFBXRLYBIZ-VQCLRJIVSA-N 1 2 258.365 3.268 20 30 CGEDLO COC(=O)CCCC[C@@H](C)[NH2+][C@](C)(C#N)CC(C)C ZINC001173445418 808637059 /nfs/dbraw/zinc/63/70/59/808637059.db2.gz YYZVGKMGMHXOAS-HIFRSBDPSA-N 1 2 268.401 3.026 20 30 CGEDLO C#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1F ZINC001174412676 809007044 /nfs/dbraw/zinc/00/70/44/809007044.db2.gz XKQYOLLQEFWQOQ-UHFFFAOYSA-N 1 2 251.264 3.379 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C[C@@H](C)CCC)cc2C1 ZINC001281293740 809208735 /nfs/dbraw/zinc/20/87/35/809208735.db2.gz VOFKBDKKICXWKA-HNNXBMFYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H](C)CCC)cc2C1 ZINC001281293740 809208738 /nfs/dbraw/zinc/20/87/38/809208738.db2.gz VOFKBDKKICXWKA-HNNXBMFYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#Cc1cc(Nc2cc(C(F)(F)F)ccc2F)cc[nH+]1 ZINC001175075617 809260265 /nfs/dbraw/zinc/26/02/65/809260265.db2.gz WROBILAAUJTOFF-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO CN(C)c1ccc(Nc2ccc3nc(C#N)sc3c2)c[nH+]1 ZINC001175344858 809369937 /nfs/dbraw/zinc/36/99/37/809369937.db2.gz KDIXADVDTDEFDJ-UHFFFAOYSA-N 1 2 295.371 3.373 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(O)c1 ZINC001175350925 809372103 /nfs/dbraw/zinc/37/21/03/809372103.db2.gz JLKVCDYCRQLAIG-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO N#Cc1cc(O)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351460 809374886 /nfs/dbraw/zinc/37/48/86/809374886.db2.gz MMGGUMJJUWLGQP-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO Cc1cc(C)c(Nc2cnc(C#N)c(Cl)c2)c[nH+]1 ZINC001213511038 815294853 /nfs/dbraw/zinc/29/48/53/815294853.db2.gz SDSYSUCXTFUYJO-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO N#CCc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175713580 809517610 /nfs/dbraw/zinc/51/76/10/809517610.db2.gz FKVXEWSUEGUEJA-UHFFFAOYSA-N 1 2 292.264 3.492 20 30 CGEDLO N#Cc1ccc(F)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717917 809519087 /nfs/dbraw/zinc/51/90/87/809519087.db2.gz XJOMZCBLQVCQOL-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(C#N)c(Cl)c1 ZINC001176121459 809627369 /nfs/dbraw/zinc/62/73/69/809627369.db2.gz IXCCLPOUERPANI-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO C#CCC1([NH2+]CC(=O)OCc2ccccc2)CCCCC1 ZINC001176433324 809696113 /nfs/dbraw/zinc/69/61/13/809696113.db2.gz UJBZPMVWTKOLMG-UHFFFAOYSA-N 1 2 285.387 3.046 20 30 CGEDLO Cc1ccnc(C#N)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176748869 809756146 /nfs/dbraw/zinc/75/61/46/809756146.db2.gz GGFQOEBWGHDKGR-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO COc1cc2ccccc2cc1C[NH2+][C@@H](C)CC#N ZINC001179478807 809923912 /nfs/dbraw/zinc/92/39/12/809923912.db2.gz FPTDRPJRKXEYKQ-LBPRGKRZSA-N 1 2 254.333 3.240 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC001179479710 809923972 /nfs/dbraw/zinc/92/39/72/809923972.db2.gz RJQHWKHSKYDFCV-SECBINFHSA-N 1 2 263.391 3.263 20 30 CGEDLO C=C1CC[NH+](Cc2sc(N(C)C)nc2Cl)CC1 ZINC001180007359 809967884 /nfs/dbraw/zinc/96/78/84/809967884.db2.gz VYWNGUBDRPUTGD-UHFFFAOYSA-N 1 2 271.817 3.015 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC001184115412 810177884 /nfs/dbraw/zinc/17/78/84/810177884.db2.gz GRYMZFGMUVOQSP-UHFFFAOYSA-N 1 2 258.148 3.067 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC001184115412 810177886 /nfs/dbraw/zinc/17/78/86/810177886.db2.gz GRYMZFGMUVOQSP-UHFFFAOYSA-N 1 2 258.148 3.067 20 30 CGEDLO C#CC[N@H+](Cc1cccc(F)c1Br)C(C)C ZINC001184116419 810177934 /nfs/dbraw/zinc/17/79/34/810177934.db2.gz XXKIORMNUVHPLB-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO C#CC[N@@H+](Cc1cccc(F)c1Br)C(C)C ZINC001184116419 810177938 /nfs/dbraw/zinc/17/79/38/810177938.db2.gz XXKIORMNUVHPLB-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO N#Cc1cnccc1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC001214002630 815355762 /nfs/dbraw/zinc/35/57/62/815355762.db2.gz YQAFMSDPBOCSJZ-UHFFFAOYSA-N 1 2 280.718 3.320 20 30 CGEDLO CCCCCCCCNC(=O)NCCOc1cc[nH+]cc1 ZINC001191081384 810672245 /nfs/dbraw/zinc/67/22/45/810672245.db2.gz NQVRDQVKDYCTLO-UHFFFAOYSA-N 1 2 293.411 3.120 20 30 CGEDLO CCCCCCCNC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001191086532 810674448 /nfs/dbraw/zinc/67/44/48/810674448.db2.gz HRFONZBVBSAHTL-UHFFFAOYSA-N 1 2 275.396 3.084 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)N[C@@H](C)CCCCCCC)CC1 ZINC001192927762 810830544 /nfs/dbraw/zinc/83/05/44/810830544.db2.gz XYKRUHFXBPYEHW-INIZCTEOSA-N 1 2 295.471 3.249 20 30 CGEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1CCF ZINC001194019991 811003389 /nfs/dbraw/zinc/00/33/89/811003389.db2.gz KHIFBBITCKJJQI-UHFFFAOYSA-N 1 2 285.363 3.049 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H](C)CC(C)(C)C ZINC001195877316 811298167 /nfs/dbraw/zinc/29/81/67/811298167.db2.gz UZXBQNHJTZNVBS-CQSZACIVSA-N 1 2 281.440 3.336 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](C)CC(C)(C)C ZINC001195877316 811298173 /nfs/dbraw/zinc/29/81/73/811298173.db2.gz UZXBQNHJTZNVBS-CQSZACIVSA-N 1 2 281.440 3.336 20 30 CGEDLO C[C@@]1(C2CC2)COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001198498488 811508072 /nfs/dbraw/zinc/50/80/72/811508072.db2.gz HUUAKSGEPRTOEW-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@@]1(C2CC2)COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001198498488 811508077 /nfs/dbraw/zinc/50/80/77/811508077.db2.gz HUUAKSGEPRTOEW-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001198525450 811511786 /nfs/dbraw/zinc/51/17/86/811511786.db2.gz LQUVMXDRRBQYSS-CQSZACIVSA-N 1 2 291.778 3.236 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001198525450 811511790 /nfs/dbraw/zinc/51/17/90/811511790.db2.gz LQUVMXDRRBQYSS-CQSZACIVSA-N 1 2 291.778 3.236 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001198525449 811511893 /nfs/dbraw/zinc/51/18/93/811511893.db2.gz LQUVMXDRRBQYSS-AWEZNQCLSA-N 1 2 291.778 3.236 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001198525449 811511896 /nfs/dbraw/zinc/51/18/96/811511896.db2.gz LQUVMXDRRBQYSS-AWEZNQCLSA-N 1 2 291.778 3.236 20 30 CGEDLO C#Cc1cc(Nc2c(F)c(F)ccc2OC(C)C)cc[nH+]1 ZINC001215072153 815480858 /nfs/dbraw/zinc/48/08/58/815480858.db2.gz NVPLPXIBHSRHBR-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC001201567061 811906889 /nfs/dbraw/zinc/90/68/89/811906889.db2.gz VVOYPKGZHBMKDH-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C=CCNC(=O)Nc1ccc(Oc2cc[nH+]c(C)c2)cc1 ZINC001202571366 812125505 /nfs/dbraw/zinc/12/55/05/812125505.db2.gz IOPGLVQRYKBXEA-UHFFFAOYSA-N 1 2 283.331 3.490 20 30 CGEDLO CNc1ccc(Nc2nc(Cl)cc(C)c2C#N)c[nH+]1 ZINC001203455463 812364651 /nfs/dbraw/zinc/36/46/51/812364651.db2.gz TWHKNQVDXNJUJJ-UHFFFAOYSA-N 1 2 273.727 3.095 20 30 CGEDLO CNc1ccc(Nc2c(F)cc(F)cc2C#N)c[nH+]1 ZINC001203459757 812367953 /nfs/dbraw/zinc/36/79/53/812367953.db2.gz QVXXHMNOSWBGTO-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO COc1cc(C#N)cc(Nc2cc(C)c[nH+]c2C)c1 ZINC001203666742 812422504 /nfs/dbraw/zinc/42/25/04/812422504.db2.gz DUDRCXLXGBCZKG-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)c(C)c1 ZINC001203744492 812449935 /nfs/dbraw/zinc/44/99/35/812449935.db2.gz FZCUHRWHRFDWHS-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[NH+]1CC(OCC(C)C)C1 ZINC001204999494 812817695 /nfs/dbraw/zinc/81/76/95/812817695.db2.gz CRIPJBZJKHPZAT-UHFFFAOYSA-N 1 2 272.392 3.032 20 30 CGEDLO C=CCC[C@@H]([NH2+]C[C@@H](OC)C1CCCCC1)C(=O)OCC ZINC001205849532 813107490 /nfs/dbraw/zinc/10/74/90/813107490.db2.gz RIYJNYXYZRARBH-HZPDHXFCSA-N 1 2 297.439 3.069 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]CCCCC(C)C)C(=O)OCC ZINC001207129238 813492908 /nfs/dbraw/zinc/49/29/08/813492908.db2.gz LSAYMEXGEOUYGH-ZDUSSCGKSA-N 1 2 275.820 3.477 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC001207334831 813543532 /nfs/dbraw/zinc/54/35/32/813543532.db2.gz VJIYVDNJCBHKPJ-ULQDDVLXSA-N 1 2 287.403 3.278 20 30 CGEDLO C[C@@H](C[N@@H+]1CC[C@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903667 813667770 /nfs/dbraw/zinc/66/77/70/813667770.db2.gz PPNVLAHCRKJWIN-SWLSCSKDSA-N 1 2 273.401 3.064 20 30 CGEDLO C[C@@H](C[N@H+]1CC[C@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903667 813667773 /nfs/dbraw/zinc/66/77/73/813667773.db2.gz PPNVLAHCRKJWIN-SWLSCSKDSA-N 1 2 273.401 3.064 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCC3CCCC3)CC[C@@H]2S1 ZINC001208088878 813691548 /nfs/dbraw/zinc/69/15/48/813691548.db2.gz UILODIOTXFEXMG-AWEZNQCLSA-N 1 2 265.422 3.231 20 30 CGEDLO O=C1C=C2C[N@H+](CCCC3CCCC3)CC[C@@H]2S1 ZINC001208088878 813691552 /nfs/dbraw/zinc/69/15/52/813691552.db2.gz UILODIOTXFEXMG-AWEZNQCLSA-N 1 2 265.422 3.231 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(C#N)c(Cl)c2)cc1N ZINC001210288668 814385819 /nfs/dbraw/zinc/38/58/19/814385819.db2.gz RONPMVRNIQOTJS-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO COc1cc(Nc2ncc(C#N)cc2Cl)cc(C)[nH+]1 ZINC001210776640 814621644 /nfs/dbraw/zinc/62/16/44/814621644.db2.gz RJQOTLCQUXVLSS-UHFFFAOYSA-N 1 2 274.711 3.062 20 30 CGEDLO COc1cc(Nc2ccc(CC#N)cc2)cc(C)[nH+]1 ZINC001210780646 814626426 /nfs/dbraw/zinc/62/64/26/814626426.db2.gz YKNTXMSFNOOOJT-UHFFFAOYSA-N 1 2 253.305 3.208 20 30 CGEDLO COc1cc(Nc2cccc(C#N)c2C)cc(C)[nH+]1 ZINC001216174638 815720066 /nfs/dbraw/zinc/72/00/66/815720066.db2.gz QOKQPRKBRDLZQT-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)CC1 ZINC001231964466 818217876 /nfs/dbraw/zinc/21/78/76/818217876.db2.gz VREKXDCKGMAOHS-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)CC1 ZINC001231964466 818217882 /nfs/dbraw/zinc/21/78/82/818217882.db2.gz VREKXDCKGMAOHS-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)cc(F)cc2Cl)C1 ZINC001232102730 818256304 /nfs/dbraw/zinc/25/63/04/818256304.db2.gz WEJOJTMUBAPXCW-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)cc(F)cc2Cl)C1 ZINC001232102730 818256311 /nfs/dbraw/zinc/25/63/11/818256311.db2.gz WEJOJTMUBAPXCW-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)c(F)cc1F ZINC001232779979 818435520 /nfs/dbraw/zinc/43/55/20/818435520.db2.gz IVGPRVOQBNDXCU-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232792800 818443235 /nfs/dbraw/zinc/44/32/35/818443235.db2.gz MVMABBDETBQVGW-UHFFFAOYSA-N 1 2 264.678 3.372 20 30 CGEDLO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232792800 818443239 /nfs/dbraw/zinc/44/32/39/818443239.db2.gz MVMABBDETBQVGW-UHFFFAOYSA-N 1 2 264.678 3.372 20 30 CGEDLO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233045113 818507749 /nfs/dbraw/zinc/50/77/49/818507749.db2.gz PIYZYVJIZXYKTR-INIZCTEOSA-N 1 2 295.386 3.238 20 30 CGEDLO Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233045113 818507757 /nfs/dbraw/zinc/50/77/57/818507757.db2.gz PIYZYVJIZXYKTR-INIZCTEOSA-N 1 2 295.386 3.238 20 30 CGEDLO Cc1cnc(F)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001235333140 819069762 /nfs/dbraw/zinc/06/97/62/819069762.db2.gz AJISMENQJQHEQH-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cnc(F)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001235333140 819069769 /nfs/dbraw/zinc/06/97/69/819069769.db2.gz AJISMENQJQHEQH-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#CCc1ccc(-c2ccc(N)[nH+]c2)cc1C(F)(F)F ZINC001236313657 819420776 /nfs/dbraw/zinc/42/07/76/819420776.db2.gz UGCMOCYLLSDHRM-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO CC[N@H+](Cc1cccnc1)Cc1cc(C#N)c(F)cc1F ZINC001237534221 819773929 /nfs/dbraw/zinc/77/39/29/819773929.db2.gz OCWMHCUHYZBRJJ-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1cccnc1)Cc1cc(C#N)c(F)cc1F ZINC001237534221 819773930 /nfs/dbraw/zinc/77/39/30/819773930.db2.gz OCWMHCUHYZBRJJ-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO C=CCN1CC[NH+](Cc2cc(C)cc(C)c2Cl)CC1 ZINC001237703664 819812592 /nfs/dbraw/zinc/81/25/92/819812592.db2.gz DQHLEPUPVJRANL-UHFFFAOYSA-N 1 2 278.827 3.260 20 30 CGEDLO CCc1cc(Br)ccc1C[N@H+](C)CCC#N ZINC001237738403 819828821 /nfs/dbraw/zinc/82/88/21/819828821.db2.gz DHOMIDCRCWMQES-UHFFFAOYSA-N 1 2 281.197 3.357 20 30 CGEDLO CCc1cc(Br)ccc1C[N@@H+](C)CCC#N ZINC001237738403 819828831 /nfs/dbraw/zinc/82/88/31/819828831.db2.gz DHOMIDCRCWMQES-UHFFFAOYSA-N 1 2 281.197 3.357 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237800074 819846028 /nfs/dbraw/zinc/84/60/28/819846028.db2.gz WOCDZKWVNKBZOX-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO C#CC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC001237951940 819891939 /nfs/dbraw/zinc/89/19/39/819891939.db2.gz KKYMZXJEKSIURO-UHFFFAOYSA-N 1 2 274.311 3.007 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc1Cl ZINC001238194391 819952228 /nfs/dbraw/zinc/95/22/28/819952228.db2.gz MKSCOINNUWJQHX-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1Cl ZINC001238194391 819952232 /nfs/dbraw/zinc/95/22/32/819952232.db2.gz MKSCOINNUWJQHX-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO COc1ccc(CC#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001240217689 820889548 /nfs/dbraw/zinc/88/95/48/820889548.db2.gz LYJPRMSAKGBTNY-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO N#Cc1c(F)ccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001240218911 820892408 /nfs/dbraw/zinc/89/24/08/820892408.db2.gz PDIISFQYRODGBY-UHFFFAOYSA-N 1 2 255.227 3.151 20 30 CGEDLO CN(C)/C=N/c1ccc(-c2ccn3cc[nH+]c3c2)cc1C#N ZINC001240512698 821108767 /nfs/dbraw/zinc/10/87/67/821108767.db2.gz XQLTUDVJWFKYHE-UDWIEESQSA-N 1 2 289.342 3.094 20 30 CGEDLO CCOC(=O)c1cc(-c2cc(C)[nH+]c(C)c2)ccc1C#N ZINC001241993249 822262354 /nfs/dbraw/zinc/26/23/54/822262354.db2.gz JDFONATWLWKCQX-UHFFFAOYSA-N 1 2 280.327 3.414 20 30 CGEDLO COc1ccsc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001342252271 936463377 /nfs/dbraw/zinc/46/33/77/936463377.db2.gz BFTBVARKSSMSIV-SREVYHEPSA-N 1 2 288.372 3.114 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001483420875 927503178 /nfs/dbraw/zinc/50/31/78/927503178.db2.gz ONJOBCSSQLXKPH-ZBFHGGJFSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001483420875 927503186 /nfs/dbraw/zinc/50/31/86/927503186.db2.gz ONJOBCSSQLXKPH-ZBFHGGJFSA-N 1 2 298.858 3.312 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001486178196 927997365 /nfs/dbraw/zinc/99/73/65/927997365.db2.gz SITFRDORLRHRHS-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001486178196 927997376 /nfs/dbraw/zinc/99/73/76/927997376.db2.gz SITFRDORLRHRHS-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494911506 928276306 /nfs/dbraw/zinc/27/63/06/928276306.db2.gz VGHJFRVTZRIJIQ-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494911506 928276317 /nfs/dbraw/zinc/27/63/17/928276317.db2.gz VGHJFRVTZRIJIQ-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO CCCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001437902213 937299466 /nfs/dbraw/zinc/29/94/66/937299466.db2.gz BVDBSHZOCYOJBE-UHFFFAOYSA-N 1 2 259.353 3.035 20 30 CGEDLO COc1ccc(/C=N/c2ccc(OC3C[NH+](C)C3)cc2)cc1 ZINC001229345058 932137591 /nfs/dbraw/zinc/13/75/91/932137591.db2.gz SKLYRQZNTLEVOT-YBFXNURJSA-N 1 2 296.370 3.139 20 30 CGEDLO C#C[C@H](CC(C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954175 932510099 /nfs/dbraw/zinc/51/00/99/932510099.db2.gz KNVUNKYPZDBFPV-OAHLLOKOSA-N 1 2 254.333 3.299 20 30 CGEDLO Cc1c[nH+]c(CCNc2cc(F)ccc2C#N)c(C)c1 ZINC001307153647 932921885 /nfs/dbraw/zinc/92/18/85/932921885.db2.gz LFFZXQOXWZIJLG-UHFFFAOYSA-N 1 2 269.323 3.364 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001339280615 932942618 /nfs/dbraw/zinc/94/26/18/932942618.db2.gz SMXGGWMZSAWISL-JKSUJKDBSA-N 1 2 289.423 3.428 20 30 CGEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC001307637666 932978539 /nfs/dbraw/zinc/97/85/39/932978539.db2.gz DTJOSHGYJCSWQS-LBPRGKRZSA-N 1 2 281.315 3.317 20 30 CGEDLO C#CCOc1ccc(F)cc1NCc1cc(C)[nH+]c(C)c1 ZINC001308293086 933089212 /nfs/dbraw/zinc/08/92/12/933089212.db2.gz JGYUYWMEIMTSCS-UHFFFAOYSA-N 1 2 284.334 3.462 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC2(C)CCCCC2)C1 ZINC001318134895 933688398 /nfs/dbraw/zinc/68/83/98/933688398.db2.gz AOLFOQGNTZPKBQ-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO COc1cc(C)ccc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001322820040 934338560 /nfs/dbraw/zinc/33/85/60/934338560.db2.gz NBDVSRHQKDAOHW-NTMALXAHSA-N 1 2 296.370 3.361 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(F)c(F)c1 ZINC001323545180 934406460 /nfs/dbraw/zinc/40/64/60/934406460.db2.gz NBUQWGQUMBLASW-VURMDHGXSA-N 1 2 288.297 3.322 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001323993125 934446292 /nfs/dbraw/zinc/44/62/92/934446292.db2.gz OVPLGQRQYDGOPS-INIZCTEOSA-N 1 2 292.467 3.312 20 30 CGEDLO C#CC[C@H](CCOC)Nc1cc(C)c2ccccc2[nH+]1 ZINC001328818599 935171254 /nfs/dbraw/zinc/17/12/54/935171254.db2.gz HMBWVLAIBYOKPF-CQSZACIVSA-N 1 2 268.360 3.384 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487486 935539875 /nfs/dbraw/zinc/53/98/75/935539875.db2.gz IANOSOHEIKPEOZ-LSDHHAIUSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487486 935539879 /nfs/dbraw/zinc/53/98/79/935539879.db2.gz IANOSOHEIKPEOZ-LSDHHAIUSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487486 935539881 /nfs/dbraw/zinc/53/98/81/935539881.db2.gz IANOSOHEIKPEOZ-LSDHHAIUSA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487486 935539883 /nfs/dbraw/zinc/53/98/83/935539883.db2.gz IANOSOHEIKPEOZ-LSDHHAIUSA-N 1 2 299.422 3.156 20 30 CGEDLO N#CCC[N@@H+](CCCC(F)(F)F)Cc1ccccn1 ZINC001334872095 936120056 /nfs/dbraw/zinc/12/00/56/936120056.db2.gz GXBYXDUPKFANJE-UHFFFAOYSA-N 1 2 271.286 3.140 20 30 CGEDLO N#CCC[N@H+](CCCC(F)(F)F)Cc1ccccn1 ZINC001334872095 936120059 /nfs/dbraw/zinc/12/00/59/936120059.db2.gz GXBYXDUPKFANJE-UHFFFAOYSA-N 1 2 271.286 3.140 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001335697883 936156845 /nfs/dbraw/zinc/15/68/45/936156845.db2.gz RZAUNMXSYZEHBQ-GFCCVEGCSA-N 1 2 267.804 3.465 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001335697883 936156848 /nfs/dbraw/zinc/15/68/48/936156848.db2.gz RZAUNMXSYZEHBQ-GFCCVEGCSA-N 1 2 267.804 3.465 20 30 CGEDLO Cc1cccc2c(NCC3(C#N)CCOCC3)c(C)c[nH+]c12 ZINC001336780463 936217000 /nfs/dbraw/zinc/21/70/00/936217000.db2.gz LXXUDBQQDDDGPA-UHFFFAOYSA-N 1 2 295.386 3.006 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001474528112 937864980 /nfs/dbraw/zinc/86/49/80/937864980.db2.gz HSWBFKGITDRXQN-DOTOQJQBSA-N 1 2 289.419 3.414 20 30 CGEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCCCCC ZINC001480102729 937932165 /nfs/dbraw/zinc/93/21/65/937932165.db2.gz NTPOIZACOMADRU-CALCHBBNSA-N 1 2 290.451 3.045 20 30 CGEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCCCCC ZINC001480102729 937932167 /nfs/dbraw/zinc/93/21/67/937932167.db2.gz NTPOIZACOMADRU-CALCHBBNSA-N 1 2 290.451 3.045 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001494288588 937953888 /nfs/dbraw/zinc/95/38/88/937953888.db2.gz VOLVQIXMOFMHME-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001494288588 937953889 /nfs/dbraw/zinc/95/38/89/937953889.db2.gz VOLVQIXMOFMHME-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@](C)(CC)CCCCC)C1 ZINC001499799094 937974699 /nfs/dbraw/zinc/97/46/99/937974699.db2.gz ZOGSYQUVYUJZFI-SFHVURJKSA-N 1 2 292.467 3.149 20 30 CGEDLO C#Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001543553719 938140269 /nfs/dbraw/zinc/14/02/69/938140269.db2.gz RYQXFKYVLGJTAK-UHFFFAOYSA-N 1 2 287.322 3.106 20 30 CGEDLO C=C[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001557078766 938207647 /nfs/dbraw/zinc/20/76/47/938207647.db2.gz JCWSOQUEESXEAU-KRWDZBQOSA-N 1 2 280.371 3.284 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1ccc(F)cc1 ZINC001560852673 938279638 /nfs/dbraw/zinc/27/96/38/938279638.db2.gz LKMXCHOYFNNHMX-KRWDZBQOSA-N 1 2 287.309 3.438 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001567296050 961257309 /nfs/dbraw/zinc/25/73/09/961257309.db2.gz ZSEOOTISEXFGFV-HUUCEWRRSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001567296050 961257327 /nfs/dbraw/zinc/25/73/27/961257327.db2.gz ZSEOOTISEXFGFV-HUUCEWRRSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC(C)=C(C)C)CC1 ZINC001571692226 962216331 /nfs/dbraw/zinc/21/63/31/962216331.db2.gz KQBSQBNBATXQOU-UHFFFAOYSA-N 1 2 296.842 3.234 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC(C)=C(C)C)CC1 ZINC001571692226 962216342 /nfs/dbraw/zinc/21/63/42/962216342.db2.gz KQBSQBNBATXQOU-UHFFFAOYSA-N 1 2 296.842 3.234 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CC1(C#N)CC1 ZINC000590357452 346843968 /nfs/dbraw/zinc/84/39/68/346843968.db2.gz NNVKCWIIPIDCDV-UHFFFAOYSA-N 1 2 280.331 3.018 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)OCC ZINC000590661566 346861818 /nfs/dbraw/zinc/86/18/18/346861818.db2.gz WSGIAUIIGZUAAW-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO Cc1ccc2c(c1)[C@@H](Nc1cc(C)[nH+]cc1C#N)CC2 ZINC000591820480 346939227 /nfs/dbraw/zinc/93/92/27/346939227.db2.gz XJPHKXFMPRGWRN-INIZCTEOSA-N 1 2 263.344 3.091 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)cc1F ZINC000295002151 199293490 /nfs/dbraw/zinc/29/34/90/199293490.db2.gz OGDDQTYDRSRKPS-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000426325131 529725383 /nfs/dbraw/zinc/72/53/83/529725383.db2.gz UDONMZGFCGPRHH-JTQLQIEISA-N 1 2 287.338 3.407 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC000592058067 346958225 /nfs/dbraw/zinc/95/82/25/346958225.db2.gz PSKBLKFRJIMCLX-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000592058067 346958228 /nfs/dbraw/zinc/95/82/28/346958228.db2.gz PSKBLKFRJIMCLX-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)CC[C@H]1C(F)(F)F ZINC000592112381 346964381 /nfs/dbraw/zinc/96/43/81/346964381.db2.gz LVWOWJYHPVOIDE-CYBMUJFWSA-N 1 2 297.324 3.364 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)CC[C@H]1C(F)(F)F ZINC000592112381 346964383 /nfs/dbraw/zinc/96/43/83/346964383.db2.gz LVWOWJYHPVOIDE-CYBMUJFWSA-N 1 2 297.324 3.364 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2ccncc2C#N)cc1C ZINC000592124753 346965000 /nfs/dbraw/zinc/96/50/00/346965000.db2.gz GQVZOFZIIVWIDU-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2ccncc2C#N)cc1C ZINC000592124753 346965004 /nfs/dbraw/zinc/96/50/04/346965004.db2.gz GQVZOFZIIVWIDU-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3ccccc3Cl)CC2)n1 ZINC000592138543 346965810 /nfs/dbraw/zinc/96/58/10/346965810.db2.gz ZWPWFCWIIYGHSN-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1F ZINC000593060603 347034512 /nfs/dbraw/zinc/03/45/12/347034512.db2.gz DVFLEUIPLAUWSQ-ZDUSSCGKSA-N 1 2 275.352 3.395 20 30 CGEDLO N#Cc1ccc(NCCNc2ccc3ccccc3[nH+]2)nc1 ZINC000042098434 344977678 /nfs/dbraw/zinc/97/76/78/344977678.db2.gz VKSSOUMKHPBOTF-UHFFFAOYSA-N 1 2 289.342 3.025 20 30 CGEDLO N#CC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000060893233 345224252 /nfs/dbraw/zinc/22/42/52/345224252.db2.gz IPKCJUGNVHHSLE-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO CC[N@H+](CCCNc1ccc(C#N)cn1)c1ccccc1 ZINC000058489060 345196260 /nfs/dbraw/zinc/19/62/60/345196260.db2.gz FCHZJNKUNZXNIL-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[N@@H+](CCCNc1ccc(C#N)cn1)c1ccccc1 ZINC000058489060 345196263 /nfs/dbraw/zinc/19/62/63/345196263.db2.gz FCHZJNKUNZXNIL-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO Cc1ccn2cc(CNc3ccc(Cl)c(C#N)n3)[nH+]c2c1 ZINC000067369126 345320157 /nfs/dbraw/zinc/32/01/57/345320157.db2.gz IQYMEYGDISLAPK-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C[C@H](C)C#N)c1C ZINC000066470053 345296906 /nfs/dbraw/zinc/29/69/06/345296906.db2.gz YJAUGXKCGHQGMC-LLVKDONJSA-N 1 2 272.392 3.406 20 30 CGEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@H](C)C#N)c1C ZINC000066470053 345296910 /nfs/dbraw/zinc/29/69/10/345296910.db2.gz YJAUGXKCGHQGMC-LLVKDONJSA-N 1 2 272.392 3.406 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091069996 345802517 /nfs/dbraw/zinc/80/25/17/345802517.db2.gz COUIGWANOWXXDY-UHFFFAOYSA-N 1 2 294.402 3.450 20 30 CGEDLO C=CCCC[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091069996 345802519 /nfs/dbraw/zinc/80/25/19/345802519.db2.gz COUIGWANOWXXDY-UHFFFAOYSA-N 1 2 294.402 3.450 20 30 CGEDLO C[C@H]1CCCC[C@@H]1OCC[N@H+](CC#N)C1CCCC1 ZINC000156619020 346159611 /nfs/dbraw/zinc/15/96/11/346159611.db2.gz SZWIRKHCRKRKON-HOCLYGCPSA-N 1 2 264.413 3.350 20 30 CGEDLO C[C@H]1CCCC[C@@H]1OCC[N@@H+](CC#N)C1CCCC1 ZINC000156619020 346159612 /nfs/dbraw/zinc/15/96/12/346159612.db2.gz SZWIRKHCRKRKON-HOCLYGCPSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCCC[C@H]1C ZINC000174876207 346245826 /nfs/dbraw/zinc/24/58/26/346245826.db2.gz HCSFAOBRCVGJHY-OAHLLOKOSA-N 1 2 293.455 3.039 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCCC[C@H]1C ZINC000174876207 346245830 /nfs/dbraw/zinc/24/58/30/346245830.db2.gz HCSFAOBRCVGJHY-OAHLLOKOSA-N 1 2 293.455 3.039 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000397601225 346583304 /nfs/dbraw/zinc/58/33/04/346583304.db2.gz NAFXHUAZOMHMGI-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000397601225 346583308 /nfs/dbraw/zinc/58/33/08/346583308.db2.gz NAFXHUAZOMHMGI-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cn1 ZINC000578417436 346672296 /nfs/dbraw/zinc/67/22/96/346672296.db2.gz BALKRAKKAWKATK-UHFFFAOYSA-N 1 2 288.354 3.013 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cn1 ZINC000578417436 346672298 /nfs/dbraw/zinc/67/22/98/346672298.db2.gz BALKRAKKAWKATK-UHFFFAOYSA-N 1 2 288.354 3.013 20 30 CGEDLO O=C1CC[N@@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)C1 ZINC000584847601 346718804 /nfs/dbraw/zinc/71/88/04/346718804.db2.gz SIPBIGWIGIPJAU-UHFFFAOYSA-N 1 2 287.790 3.279 20 30 CGEDLO O=C1CC[N@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)C1 ZINC000584847601 346718806 /nfs/dbraw/zinc/71/88/06/346718806.db2.gz SIPBIGWIGIPJAU-UHFFFAOYSA-N 1 2 287.790 3.279 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2C)n1 ZINC000586788032 346735314 /nfs/dbraw/zinc/73/53/14/346735314.db2.gz VVNFJQJDPGFNPH-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2C)n1 ZINC000586788032 346735316 /nfs/dbraw/zinc/73/53/16/346735316.db2.gz VVNFJQJDPGFNPH-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1cc(N2CC[C@@H](CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335588785 212301795 /nfs/dbraw/zinc/30/17/95/212301795.db2.gz GZIOJOWTDUNSFV-JTQLQIEISA-N 1 2 269.270 3.040 20 30 CGEDLO CN(C(=O)CCCCC#N)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000594365172 347171801 /nfs/dbraw/zinc/17/18/01/347171801.db2.gz WOGUTUHNGNPTJJ-INIZCTEOSA-N 1 2 296.374 3.041 20 30 CGEDLO C[C@@H]1CCN([C@@H](C#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000595392651 347298605 /nfs/dbraw/zinc/29/86/05/347298605.db2.gz OOZDOQIQKQOYCP-PVAVHDDUSA-N 1 2 280.375 3.031 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000595610490 347326224 /nfs/dbraw/zinc/32/62/24/347326224.db2.gz ZRXZVYCOUXNRCG-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000595610490 347326225 /nfs/dbraw/zinc/32/62/25/347326225.db2.gz ZRXZVYCOUXNRCG-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ccc([C@@H](C)C[N@H+]([C@@H](C)C#N)C2CC2)cc1 ZINC000595710107 347344304 /nfs/dbraw/zinc/34/43/04/347344304.db2.gz LIWZIAMHURHCHZ-STQMWFEESA-N 1 2 258.365 3.175 20 30 CGEDLO COc1ccc([C@@H](C)C[N@@H+]([C@@H](C)C#N)C2CC2)cc1 ZINC000595710107 347344307 /nfs/dbraw/zinc/34/43/07/347344307.db2.gz LIWZIAMHURHCHZ-STQMWFEESA-N 1 2 258.365 3.175 20 30 CGEDLO N#CCCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595714407 347345728 /nfs/dbraw/zinc/34/57/28/347345728.db2.gz UUZQGIUTPFTZOD-LLVKDONJSA-N 1 2 298.312 3.326 20 30 CGEDLO N#CCCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595714407 347345729 /nfs/dbraw/zinc/34/57/29/347345729.db2.gz UUZQGIUTPFTZOD-LLVKDONJSA-N 1 2 298.312 3.326 20 30 CGEDLO COCC[C@H]1CCCC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595442410 347304509 /nfs/dbraw/zinc/30/45/09/347304509.db2.gz QYLAXKUZWJWDCL-NVXWUHKLSA-N 1 2 272.392 3.390 20 30 CGEDLO COCC[C@H]1CCCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595442410 347304511 /nfs/dbraw/zinc/30/45/11/347304511.db2.gz QYLAXKUZWJWDCL-NVXWUHKLSA-N 1 2 272.392 3.390 20 30 CGEDLO COc1cccc(C[N@H+](C)CC(C)(C)C#N)c1Cl ZINC000595500512 347312472 /nfs/dbraw/zinc/31/24/72/347312472.db2.gz JWVDVMGVUMTIOW-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO COc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1Cl ZINC000595500512 347312477 /nfs/dbraw/zinc/31/24/77/347312477.db2.gz JWVDVMGVUMTIOW-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO C[C@@H]1CC2(C[N@@H+]1[C@H](C#N)c1ccccc1)CCOCC2 ZINC000595557568 347319119 /nfs/dbraw/zinc/31/91/19/347319119.db2.gz KPAYAQCHTQKUKH-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1CC2(C[N@H+]1[C@H](C#N)c1ccccc1)CCOCC2 ZINC000595557568 347319120 /nfs/dbraw/zinc/31/91/20/347319120.db2.gz KPAYAQCHTQKUKH-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO CC[N@H+](CC#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866313 347368913 /nfs/dbraw/zinc/36/89/13/347368913.db2.gz JYJDRRBQABCHPW-NSHDSACASA-N 1 2 270.298 3.482 20 30 CGEDLO CC[N@@H+](CC#N)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595866313 347368917 /nfs/dbraw/zinc/36/89/17/347368917.db2.gz JYJDRRBQABCHPW-NSHDSACASA-N 1 2 270.298 3.482 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000595911042 347371853 /nfs/dbraw/zinc/37/18/53/347371853.db2.gz ZPTGAIGLTCPZRV-UHFFFAOYSA-N 1 2 281.384 3.136 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC3CC2(c2ccccc2)C3)n1 ZINC000595911042 347371855 /nfs/dbraw/zinc/37/18/55/347371855.db2.gz ZPTGAIGLTCPZRV-UHFFFAOYSA-N 1 2 281.384 3.136 20 30 CGEDLO Cc1cc(N2CCC[C@@H]2C)c(C#N)c(N2CCC[C@@H]2C)[nH+]1 ZINC000596145881 347389478 /nfs/dbraw/zinc/38/94/78/347389478.db2.gz ZEICQKOPCKQOGM-KBPBESRZSA-N 1 2 284.407 3.239 20 30 CGEDLO CSCc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597178239 347545495 /nfs/dbraw/zinc/54/54/95/347545495.db2.gz WLTKFXTYGLXJEF-NSHDSACASA-N 1 2 281.450 3.132 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000597083220 347534734 /nfs/dbraw/zinc/53/47/34/347534734.db2.gz QFFBRSMKOMUKJV-LBPRGKRZSA-N 1 2 285.322 3.262 20 30 CGEDLO CSCc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597178239 347545498 /nfs/dbraw/zinc/54/54/98/347545498.db2.gz WLTKFXTYGLXJEF-NSHDSACASA-N 1 2 281.450 3.132 20 30 CGEDLO Cc1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC000597178150 347545512 /nfs/dbraw/zinc/54/55/12/347545512.db2.gz VZNSLRIZYHUQLH-GFCCVEGCSA-N 1 2 264.319 3.399 20 30 CGEDLO Cc1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC000597178150 347545514 /nfs/dbraw/zinc/54/55/14/347545514.db2.gz VZNSLRIZYHUQLH-GFCCVEGCSA-N 1 2 264.319 3.399 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000597176945 347545575 /nfs/dbraw/zinc/54/55/75/347545575.db2.gz JUMKNLLPXJZNTC-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000597176945 347545579 /nfs/dbraw/zinc/54/55/79/347545579.db2.gz JUMKNLLPXJZNTC-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000597231998 347560149 /nfs/dbraw/zinc/56/01/49/347560149.db2.gz QGQVUKDPIPSERR-HNNXBMFYSA-N 1 2 286.404 3.009 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000597231998 347560151 /nfs/dbraw/zinc/56/01/51/347560151.db2.gz QGQVUKDPIPSERR-HNNXBMFYSA-N 1 2 286.404 3.009 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000597190831 347547992 /nfs/dbraw/zinc/54/79/92/347547992.db2.gz BWHKEGLRCXCTFF-UHFFFAOYSA-N 1 2 255.148 3.339 20 30 CGEDLO Cc1nccnc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000598672055 347676786 /nfs/dbraw/zinc/67/67/86/347676786.db2.gz GTLHTUIOXJMXBQ-SJLPKXTDSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1nccnc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000598672055 347676788 /nfs/dbraw/zinc/67/67/88/347676788.db2.gz GTLHTUIOXJMXBQ-SJLPKXTDSA-N 1 2 292.386 3.057 20 30 CGEDLO N#CC[C@H]1CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599098968 347716775 /nfs/dbraw/zinc/71/67/75/347716775.db2.gz PLLOHMAQRCCIPP-CYBMUJFWSA-N 1 2 291.358 3.013 20 30 CGEDLO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC#N ZINC000599651244 347762260 /nfs/dbraw/zinc/76/22/60/347762260.db2.gz FAFAJVPUPSHVPU-PWSUYJOCSA-N 1 2 279.181 3.150 20 30 CGEDLO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC#N ZINC000599651244 347762263 /nfs/dbraw/zinc/76/22/63/347762263.db2.gz FAFAJVPUPSHVPU-PWSUYJOCSA-N 1 2 279.181 3.150 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000600120672 347781921 /nfs/dbraw/zinc/78/19/21/347781921.db2.gz LUJYKDLORCFOKH-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000600120672 347781922 /nfs/dbraw/zinc/78/19/22/347781922.db2.gz LUJYKDLORCFOKH-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000600601111 347813062 /nfs/dbraw/zinc/81/30/62/347813062.db2.gz AIVORFQLPZFWAN-AWEZNQCLSA-N 1 2 261.365 3.093 20 30 CGEDLO N#CC1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC2(CC2)C1 ZINC000601036125 347854665 /nfs/dbraw/zinc/85/46/65/347854665.db2.gz RCFARZRWKAZGHW-UHFFFAOYSA-N 1 2 292.342 3.099 20 30 CGEDLO N#Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000600775812 347833658 /nfs/dbraw/zinc/83/36/58/347833658.db2.gz NCBPOUGHFJUHJS-UHFFFAOYSA-N 1 2 284.384 3.119 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602487139 347967773 /nfs/dbraw/zinc/96/77/73/347967773.db2.gz UJTGLWRUMOODHC-NSHDSACASA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602487139 347967774 /nfs/dbraw/zinc/96/77/74/347967774.db2.gz UJTGLWRUMOODHC-NSHDSACASA-N 1 2 299.324 3.351 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000602679576 348007474 /nfs/dbraw/zinc/00/74/74/348007474.db2.gz HPLCINYCZSYIBG-MRXNPFEDSA-N 1 2 279.343 3.273 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)n1 ZINC000602679576 348007475 /nfs/dbraw/zinc/00/74/75/348007475.db2.gz HPLCINYCZSYIBG-MRXNPFEDSA-N 1 2 279.343 3.273 20 30 CGEDLO Cc1ncc([C@@H](C)[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)n1 ZINC000602706182 348013367 /nfs/dbraw/zinc/01/33/67/348013367.db2.gz BLEJKEMZUJGQIG-GFCCVEGCSA-N 1 2 278.359 3.042 20 30 CGEDLO Cc1ncc([C@@H](C)[N@H+]2Cc3ccc(C#N)cc3C2)c(C)n1 ZINC000602706182 348013369 /nfs/dbraw/zinc/01/33/69/348013369.db2.gz BLEJKEMZUJGQIG-GFCCVEGCSA-N 1 2 278.359 3.042 20 30 CGEDLO N#CC1CCC([NH2+][C@@H](C[C@@H]2CCCO2)C(F)(F)F)CC1 ZINC000602706142 348013558 /nfs/dbraw/zinc/01/35/58/348013558.db2.gz AWKXZECPZWHEPK-TYUFSLCMSA-N 1 2 290.329 3.158 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC000602870630 348039346 /nfs/dbraw/zinc/03/93/46/348039346.db2.gz NZZDSLAPVYVTNA-AWEZNQCLSA-N 1 2 281.359 3.052 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602974020 348047812 /nfs/dbraw/zinc/04/78/12/348047812.db2.gz IVSVHBLMEPQBFG-RHSMWYFYSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[C@@H]1C#N ZINC000602974020 348047814 /nfs/dbraw/zinc/04/78/14/348047814.db2.gz IVSVHBLMEPQBFG-RHSMWYFYSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977862 348049334 /nfs/dbraw/zinc/04/93/34/348049334.db2.gz ICQOZEPUGMNHLB-GDBMZVCRSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977862 348049337 /nfs/dbraw/zinc/04/93/37/348049337.db2.gz ICQOZEPUGMNHLB-GDBMZVCRSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602980620 348050368 /nfs/dbraw/zinc/05/03/68/348050368.db2.gz SJBOPUOHIYAKGH-HOCLYGCPSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000602980620 348050370 /nfs/dbraw/zinc/05/03/70/348050370.db2.gz SJBOPUOHIYAKGH-HOCLYGCPSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000603428277 348082739 /nfs/dbraw/zinc/08/27/39/348082739.db2.gz GKWBYEQTBWHUGD-TVQRCGJNSA-N 1 2 250.292 3.179 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603786132 348095992 /nfs/dbraw/zinc/09/59/92/348095992.db2.gz QBZQGVWXYVBCAJ-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO Cc1[nH+]cc(CN2CCC[C@](C)(C#N)C2)n1-c1ccccc1 ZINC000612405635 348516638 /nfs/dbraw/zinc/51/66/38/348516638.db2.gz BPVJDFOWAFZRIV-GOSISDBHSA-N 1 2 294.402 3.306 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000612406764 348517628 /nfs/dbraw/zinc/51/76/28/348517628.db2.gz SRZBFVXMNJYOKU-OUMXJLHTSA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000612406764 348517629 /nfs/dbraw/zinc/51/76/29/348517629.db2.gz SRZBFVXMNJYOKU-OUMXJLHTSA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000612586582 348531351 /nfs/dbraw/zinc/53/13/51/348531351.db2.gz RUWPBAKSJSVQTK-QMMMGPOBSA-N 1 2 274.698 3.191 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000612588244 348531740 /nfs/dbraw/zinc/53/17/40/348531740.db2.gz UGMAZBVPKPBBNN-UHFFFAOYSA-N 1 2 271.389 3.449 20 30 CGEDLO CCn1nc(C[N@@H+]2CCC[C@](C)(C#N)C2)c2ccccc21 ZINC000613746424 348630333 /nfs/dbraw/zinc/63/03/33/348630333.db2.gz JWSKFWOVCUTFCM-QGZVFWFLSA-N 1 2 282.391 3.182 20 30 CGEDLO CCn1nc(C[N@H+]2CCC[C@](C)(C#N)C2)c2ccccc21 ZINC000613746424 348630335 /nfs/dbraw/zinc/63/03/35/348630335.db2.gz JWSKFWOVCUTFCM-QGZVFWFLSA-N 1 2 282.391 3.182 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000616773437 348877409 /nfs/dbraw/zinc/87/74/09/348877409.db2.gz RDSDHVMHYVEIMG-HNNXBMFYSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000616773437 348877411 /nfs/dbraw/zinc/87/74/11/348877411.db2.gz RDSDHVMHYVEIMG-HNNXBMFYSA-N 1 2 296.773 3.484 20 30 CGEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000617039681 348903831 /nfs/dbraw/zinc/90/38/31/348903831.db2.gz KDAGPJPFPJUZPO-ZFWWWQNUSA-N 1 2 283.375 3.199 20 30 CGEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccc(OC)cc1 ZINC000628150572 350412809 /nfs/dbraw/zinc/41/28/09/350412809.db2.gz YIVRSYVEZJSNOE-UHFFFAOYSA-N 1 2 285.391 3.223 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000630762279 350884378 /nfs/dbraw/zinc/88/43/78/350884378.db2.gz YKSNTOQGMTZAMS-UHFFFAOYSA-N 1 2 267.332 3.167 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635770130 351690922 /nfs/dbraw/zinc/69/09/22/351690922.db2.gz KHIHETRITZUXOD-CABCVRRESA-N 1 2 277.412 3.331 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)no1 ZINC000122874229 187056856 /nfs/dbraw/zinc/05/68/56/187056856.db2.gz SRUQXHCPKZWAON-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)no1 ZINC000122874229 187056857 /nfs/dbraw/zinc/05/68/57/187056857.db2.gz SRUQXHCPKZWAON-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO CCc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000123394452 187089706 /nfs/dbraw/zinc/08/97/06/187089706.db2.gz JOYAEBUUBZLRBL-UHFFFAOYSA-N 1 2 276.343 3.380 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1F ZINC000336339169 213187180 /nfs/dbraw/zinc/18/71/80/213187180.db2.gz MHLORSXPXRAPJN-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1F ZINC000336339169 213187183 /nfs/dbraw/zinc/18/71/83/213187183.db2.gz MHLORSXPXRAPJN-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425248027 236223180 /nfs/dbraw/zinc/22/31/80/236223180.db2.gz QBPFSCXGWVKMGB-SJKOYZFVSA-N 1 2 299.349 3.011 20 30 CGEDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336229305 213059717 /nfs/dbraw/zinc/05/97/17/213059717.db2.gz ZDQIYNGZXBCGNN-RKDXNWHRSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000336229305 213059721 /nfs/dbraw/zinc/05/97/21/213059721.db2.gz ZDQIYNGZXBCGNN-RKDXNWHRSA-N 1 2 289.326 3.178 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000177743731 189066745 /nfs/dbraw/zinc/06/67/45/189066745.db2.gz YJWCQCKYCCYJGG-OAHLLOKOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000177743731 189066746 /nfs/dbraw/zinc/06/67/46/189066746.db2.gz YJWCQCKYCCYJGG-OAHLLOKOSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1ncc(C[N@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000178917927 189154598 /nfs/dbraw/zinc/15/45/98/189154598.db2.gz MVLKQTUBZXDZQF-UHFFFAOYSA-N 1 2 274.364 3.074 20 30 CGEDLO Cc1ncc(C[N@@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000178917927 189154599 /nfs/dbraw/zinc/15/45/99/189154599.db2.gz MVLKQTUBZXDZQF-UHFFFAOYSA-N 1 2 274.364 3.074 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccco2)c(Cl)c1 ZINC000439437887 238256184 /nfs/dbraw/zinc/25/61/84/238256184.db2.gz KWHNITQZPFRZGS-CQSZACIVSA-N 1 2 290.750 3.018 20 30 CGEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439458633 238258768 /nfs/dbraw/zinc/25/87/68/238258768.db2.gz TWIBAWBXZBCLLL-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439458633 238258776 /nfs/dbraw/zinc/25/87/76/238258776.db2.gz TWIBAWBXZBCLLL-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO CCc1noc(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000119416413 370674869 /nfs/dbraw/zinc/67/48/69/370674869.db2.gz BZUOOWHEMSTITC-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO CCc1noc(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000119416413 370674875 /nfs/dbraw/zinc/67/48/75/370674875.db2.gz BZUOOWHEMSTITC-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000119980973 370729515 /nfs/dbraw/zinc/72/95/15/370729515.db2.gz FKXLPHRWEHJZQG-GFCCVEGCSA-N 1 2 264.394 3.061 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000119980973 370729519 /nfs/dbraw/zinc/72/95/19/370729519.db2.gz FKXLPHRWEHJZQG-GFCCVEGCSA-N 1 2 264.394 3.061 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000121359495 370854477 /nfs/dbraw/zinc/85/44/77/370854477.db2.gz ZVTLDBVEXNFFDG-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO C=CCSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000028894406 368890135 /nfs/dbraw/zinc/89/01/35/368890135.db2.gz BFZJIJHLVIDJBA-UHFFFAOYSA-N 1 2 282.372 3.153 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccc(Br)cc1 ZINC000044413361 369261178 /nfs/dbraw/zinc/26/11/78/369261178.db2.gz TVRDTYLEMMRUNY-UHFFFAOYSA-N 1 2 297.196 3.063 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccc(Br)cc1 ZINC000044413361 369261180 /nfs/dbraw/zinc/26/11/80/369261180.db2.gz TVRDTYLEMMRUNY-UHFFFAOYSA-N 1 2 297.196 3.063 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000276102757 193215182 /nfs/dbraw/zinc/21/51/82/193215182.db2.gz JGHRAOBDPRWLIX-SFHVURJKSA-N 1 2 297.402 3.150 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000127662321 370955859 /nfs/dbraw/zinc/95/58/59/370955859.db2.gz LVBXJZAULVIUDU-UHFFFAOYSA-N 1 2 274.336 3.471 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(CSC(F)F)o1 ZINC000127662321 370955861 /nfs/dbraw/zinc/95/58/61/370955861.db2.gz LVBXJZAULVIUDU-UHFFFAOYSA-N 1 2 274.336 3.471 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000127666490 370956814 /nfs/dbraw/zinc/95/68/14/370956814.db2.gz WQDZPAJGJBJSLD-UHFFFAOYSA-N 1 2 272.270 3.321 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000127666490 370956820 /nfs/dbraw/zinc/95/68/20/370956820.db2.gz WQDZPAJGJBJSLD-UHFFFAOYSA-N 1 2 272.270 3.321 20 30 CGEDLO C=CC[N@H+](CC(=O)N1CCCCCC1)Cc1cccs1 ZINC000078395439 369951796 /nfs/dbraw/zinc/95/17/96/369951796.db2.gz FOJJGBATUZPIFB-UHFFFAOYSA-N 1 2 292.448 3.139 20 30 CGEDLO C=CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccs1 ZINC000078395439 369951801 /nfs/dbraw/zinc/95/18/01/369951801.db2.gz FOJJGBATUZPIFB-UHFFFAOYSA-N 1 2 292.448 3.139 20 30 CGEDLO Cc1nn(C)c2ncc(C[N@H+](CCC#N)CC(C)(C)C)cc12 ZINC000111250891 370395052 /nfs/dbraw/zinc/39/50/52/370395052.db2.gz PHUIOLUHADDXMD-UHFFFAOYSA-N 1 2 299.422 3.039 20 30 CGEDLO Cc1nn(C)c2ncc(C[N@@H+](CCC#N)CC(C)(C)C)cc12 ZINC000111250891 370395055 /nfs/dbraw/zinc/39/50/55/370395055.db2.gz PHUIOLUHADDXMD-UHFFFAOYSA-N 1 2 299.422 3.039 20 30 CGEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000130637304 371048561 /nfs/dbraw/zinc/04/85/61/371048561.db2.gz TWRXDQVNIWLKLJ-DYVFJYSZSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000130637304 371048566 /nfs/dbraw/zinc/04/85/66/371048566.db2.gz TWRXDQVNIWLKLJ-DYVFJYSZSA-N 1 2 282.343 3.113 20 30 CGEDLO C=CCSCC[NH2+]Cc1cccc(Cl)c1O ZINC000133134645 371230508 /nfs/dbraw/zinc/23/05/08/371230508.db2.gz BPDRUWYPMPLGBE-UHFFFAOYSA-N 1 2 257.786 3.054 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000287274704 371633874 /nfs/dbraw/zinc/63/38/74/371633874.db2.gz HWASCQIPBNUUDR-LLVKDONJSA-N 1 2 280.803 3.065 20 30 CGEDLO C=C(Cl)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000287274704 371633879 /nfs/dbraw/zinc/63/38/79/371633879.db2.gz HWASCQIPBNUUDR-LLVKDONJSA-N 1 2 280.803 3.065 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cn1 ZINC000156388686 371976960 /nfs/dbraw/zinc/97/69/60/371976960.db2.gz YIPOKEGWINBTBO-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cn1 ZINC000156388686 371976961 /nfs/dbraw/zinc/97/69/61/371976961.db2.gz YIPOKEGWINBTBO-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000157664628 372031375 /nfs/dbraw/zinc/03/13/75/372031375.db2.gz UCELMVCHOASMNA-WFASDCNBSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000157664628 372031381 /nfs/dbraw/zinc/03/13/81/372031381.db2.gz UCELMVCHOASMNA-WFASDCNBSA-N 1 2 287.407 3.112 20 30 CGEDLO COc1cc[nH+]cc1CSc1ccc(C#N)cc1F ZINC000344170464 217082864 /nfs/dbraw/zinc/08/28/64/217082864.db2.gz MVHYFXTUGTZLEI-UHFFFAOYSA-N 1 2 274.320 3.393 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1C#N ZINC000157933681 372044029 /nfs/dbraw/zinc/04/40/29/372044029.db2.gz MUJXAMXWXNCGGV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1C#N ZINC000157933681 372044031 /nfs/dbraw/zinc/04/40/31/372044031.db2.gz MUJXAMXWXNCGGV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C[C@@H]1CCC[N@H+](CC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425510796 372129630 /nfs/dbraw/zinc/12/96/30/372129630.db2.gz KRLKUYBBVUVVJS-KGLIPLIRSA-N 1 2 292.423 3.122 20 30 CGEDLO C[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425510796 372129632 /nfs/dbraw/zinc/12/96/32/372129632.db2.gz KRLKUYBBVUVVJS-KGLIPLIRSA-N 1 2 292.423 3.122 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428467529 372215097 /nfs/dbraw/zinc/21/50/97/372215097.db2.gz YZIFUQSQZXGILF-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428467529 372215102 /nfs/dbraw/zinc/21/51/02/372215102.db2.gz YZIFUQSQZXGILF-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000428830158 372265789 /nfs/dbraw/zinc/26/57/89/372265789.db2.gz AWIOCPLFGAFXBN-UHFFFAOYSA-N 1 2 297.171 3.490 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000428830158 372265790 /nfs/dbraw/zinc/26/57/90/372265790.db2.gz AWIOCPLFGAFXBN-UHFFFAOYSA-N 1 2 297.171 3.490 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCOc1cc(C)cc(C)c1 ZINC000428838231 372267442 /nfs/dbraw/zinc/26/74/42/372267442.db2.gz GWURMKSWCJOGSZ-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCOc1cc(C)cc(C)c1 ZINC000428838231 372267448 /nfs/dbraw/zinc/26/74/48/372267448.db2.gz GWURMKSWCJOGSZ-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCc1c(F)cccc1Cl ZINC000428857733 372270533 /nfs/dbraw/zinc/27/05/33/372270533.db2.gz ADTWJKZVBHPBTH-UHFFFAOYSA-N 1 2 266.747 3.423 20 30 CGEDLO C=CC[N@H+](CCC#N)CCc1c(F)cccc1Cl ZINC000428857733 372270541 /nfs/dbraw/zinc/27/05/41/372270541.db2.gz ADTWJKZVBHPBTH-UHFFFAOYSA-N 1 2 266.747 3.423 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933163 372283321 /nfs/dbraw/zinc/28/33/21/372283321.db2.gz KTKDJFZOMWHWTO-IUODEOHRSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933163 372283329 /nfs/dbraw/zinc/28/33/29/372283329.db2.gz KTKDJFZOMWHWTO-IUODEOHRSA-N 1 2 297.320 3.491 20 30 CGEDLO C=CC[N@@H+](CCC#N)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430097338 372384461 /nfs/dbraw/zinc/38/44/61/372384461.db2.gz QFMFXGPVBWYPHP-SDNWHVSQSA-N 1 2 285.347 3.400 20 30 CGEDLO C=CC[N@H+](CCC#N)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430097338 372384463 /nfs/dbraw/zinc/38/44/63/372384463.db2.gz QFMFXGPVBWYPHP-SDNWHVSQSA-N 1 2 285.347 3.400 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000052869187 541877298 /nfs/dbraw/zinc/87/72/98/541877298.db2.gz DAIXVVLKMFYKOS-UHFFFAOYSA-N 1 2 269.348 3.219 20 30 CGEDLO Cc1ccc(CCCNc2cccc(C#N)c2)c[nH+]1 ZINC000353377826 220051876 /nfs/dbraw/zinc/05/18/76/220051876.db2.gz FPMQDNKIMPHWKP-UHFFFAOYSA-N 1 2 251.333 3.306 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295934011 372964036 /nfs/dbraw/zinc/96/40/36/372964036.db2.gz KKPWPPKJHURLGM-OAHLLOKOSA-N 1 2 253.349 3.032 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295934011 372964043 /nfs/dbraw/zinc/96/40/43/372964043.db2.gz KKPWPPKJHURLGM-OAHLLOKOSA-N 1 2 253.349 3.032 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295934011 372964051 /nfs/dbraw/zinc/96/40/51/372964051.db2.gz KKPWPPKJHURLGM-OAHLLOKOSA-N 1 2 253.349 3.032 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295934011 372964054 /nfs/dbraw/zinc/96/40/54/372964054.db2.gz KKPWPPKJHURLGM-OAHLLOKOSA-N 1 2 253.349 3.032 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439448036 372976520 /nfs/dbraw/zinc/97/65/20/372976520.db2.gz ZGNGBVUNSQOKKG-DZGCQCFKSA-N 1 2 270.380 3.229 20 30 CGEDLO CC[C@]1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000442887556 373120097 /nfs/dbraw/zinc/12/00/97/373120097.db2.gz XJWARSXHGKKSSG-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[C@]1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000442887556 373120105 /nfs/dbraw/zinc/12/01/05/373120105.db2.gz XJWARSXHGKKSSG-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO C#CC[N@H+](Cc1cscn1)[C@@H]1CCc2ccccc21 ZINC000175120120 373412886 /nfs/dbraw/zinc/41/28/86/373412886.db2.gz HRDZCJXLZHNIID-MRXNPFEDSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1cscn1)[C@@H]1CCc2ccccc21 ZINC000175120120 373412889 /nfs/dbraw/zinc/41/28/89/373412889.db2.gz HRDZCJXLZHNIID-MRXNPFEDSA-N 1 2 268.385 3.266 20 30 CGEDLO Cc1csc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000176335789 373583451 /nfs/dbraw/zinc/58/34/51/373583451.db2.gz GYTNTBFNRGUFLZ-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO Cc1csc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000176335789 373583461 /nfs/dbraw/zinc/58/34/61/373583461.db2.gz GYTNTBFNRGUFLZ-UHFFFAOYSA-N 1 2 283.400 3.488 20 30 CGEDLO C=C(Cl)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000176053010 373550984 /nfs/dbraw/zinc/55/09/84/373550984.db2.gz NHHWTWJHTIBYLS-UHFFFAOYSA-N 1 2 269.772 3.197 20 30 CGEDLO C=C(Cl)C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000176053010 373550989 /nfs/dbraw/zinc/55/09/89/373550989.db2.gz NHHWTWJHTIBYLS-UHFFFAOYSA-N 1 2 269.772 3.197 20 30 CGEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000177074108 373654384 /nfs/dbraw/zinc/65/43/84/373654384.db2.gz VRYVFYOKYHJSPU-YCPHGPKFSA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000177074108 373654390 /nfs/dbraw/zinc/65/43/90/373654390.db2.gz VRYVFYOKYHJSPU-YCPHGPKFSA-N 1 2 253.349 3.123 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@@H](CC)C(F)F)c1 ZINC000449360989 373685052 /nfs/dbraw/zinc/68/50/52/373685052.db2.gz KGFKLURPMKYZTO-ZDUSSCGKSA-N 1 2 255.308 3.385 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc(C)s1)C(=O)OCC ZINC000449658514 373838894 /nfs/dbraw/zinc/83/88/94/373838894.db2.gz SXVSLFNWHWJTHY-CYBMUJFWSA-N 1 2 267.394 3.044 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2C)c(C)[nH+]1 ZINC000178666936 373802294 /nfs/dbraw/zinc/80/22/94/373802294.db2.gz REXUIVCYUCFYCZ-UHFFFAOYSA-N 1 2 279.343 3.439 20 30 CGEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]c2ccccc2n1C ZINC000179282013 373854361 /nfs/dbraw/zinc/85/43/61/373854361.db2.gz KXXPNTMSNOQYMK-UHFFFAOYSA-N 1 2 276.343 3.081 20 30 CGEDLO COc1cccc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000179734311 373909792 /nfs/dbraw/zinc/90/97/92/373909792.db2.gz GDZPSZLUUGFHIE-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)O1 ZINC000328638066 374374092 /nfs/dbraw/zinc/37/40/92/374374092.db2.gz BFUGYNJTMOFNIL-ZOWXZIJZSA-N 1 2 299.374 3.347 20 30 CGEDLO O=C(Nc1scnc1C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328909943 374393541 /nfs/dbraw/zinc/39/35/41/374393541.db2.gz FDRRDABKRPCWGV-JTQLQIEISA-N 1 2 288.376 3.068 20 30 CGEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329267248 374400453 /nfs/dbraw/zinc/40/04/53/374400453.db2.gz GATFIWGMPRJAKM-RWMBFGLXSA-N 1 2 261.369 3.268 20 30 CGEDLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(C#N)c(F)c1 ZINC000453273959 374383690 /nfs/dbraw/zinc/38/36/90/374383690.db2.gz AJJBTIVMFLYMQK-RKDXNWHRSA-N 1 2 256.271 3.392 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000330463047 374467034 /nfs/dbraw/zinc/46/70/34/374467034.db2.gz ZJLCOXYBZWAFLU-IJLUTSLNSA-N 1 2 294.424 3.008 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000330463047 374467039 /nfs/dbraw/zinc/46/70/39/374467039.db2.gz ZJLCOXYBZWAFLU-IJLUTSLNSA-N 1 2 294.424 3.008 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)C3(C#N)CCCCC3)ccc2n1C ZINC000334396274 374712843 /nfs/dbraw/zinc/71/28/43/374712843.db2.gz WHTUXVLYPRTGJC-UHFFFAOYSA-N 1 2 296.374 3.294 20 30 CGEDLO COc1cc(OC)c(OC)cc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185749948 374729550 /nfs/dbraw/zinc/72/95/50/374729550.db2.gz RQYBONALEMYBAN-NWDGAFQWSA-N 1 2 290.363 3.207 20 30 CGEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1CC1(C#N)CCC1)CCCC2 ZINC000334620350 374912392 /nfs/dbraw/zinc/91/23/92/374912392.db2.gz PTQWZQASABBBGZ-INIZCTEOSA-N 1 2 298.434 3.130 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000187560487 375040580 /nfs/dbraw/zinc/04/05/80/375040580.db2.gz YZNVSDNNLFSFBK-CQSZACIVSA-N 1 2 290.750 3.018 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccco1 ZINC000187486254 375028943 /nfs/dbraw/zinc/02/89/43/375028943.db2.gz NQGXYQALRYSZAY-AWEZNQCLSA-N 1 2 290.750 3.282 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000483713806 375183265 /nfs/dbraw/zinc/18/32/65/375183265.db2.gz SRQDWYZZSWRBSJ-IBGZPJMESA-N 1 2 283.415 3.319 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000483713806 375183271 /nfs/dbraw/zinc/18/32/71/375183271.db2.gz SRQDWYZZSWRBSJ-IBGZPJMESA-N 1 2 283.415 3.319 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000481513992 375165225 /nfs/dbraw/zinc/16/52/25/375165225.db2.gz HRVJVBPCHBTCDX-INIZCTEOSA-N 1 2 277.795 3.048 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000481513992 375165226 /nfs/dbraw/zinc/16/52/26/375165226.db2.gz HRVJVBPCHBTCDX-INIZCTEOSA-N 1 2 277.795 3.048 20 30 CGEDLO Cc1cc(N2CC(c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000335090895 375123443 /nfs/dbraw/zinc/12/34/43/375123443.db2.gz MVWLWOJBPRKJAB-UHFFFAOYSA-N 1 2 267.307 3.005 20 30 CGEDLO C=CCOc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1 ZINC000485957107 375194604 /nfs/dbraw/zinc/19/46/04/375194604.db2.gz YLBYJSZCDHPJDC-UHFFFAOYSA-N 1 2 297.333 3.301 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)no1 ZINC000189090991 375323243 /nfs/dbraw/zinc/32/32/43/375323243.db2.gz JNLVVVXXNBFWIA-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)no1 ZINC000189090991 375323248 /nfs/dbraw/zinc/32/32/48/375323248.db2.gz JNLVVVXXNBFWIA-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000335308236 375259849 /nfs/dbraw/zinc/25/98/49/375259849.db2.gz LIWOOUMIHCGZFV-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738227 375389457 /nfs/dbraw/zinc/38/94/57/375389457.db2.gz OEATYASARKZIGA-HIFRSBDPSA-N 1 2 265.360 3.149 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738227 375389462 /nfs/dbraw/zinc/38/94/62/375389462.db2.gz OEATYASARKZIGA-HIFRSBDPSA-N 1 2 265.360 3.149 20 30 CGEDLO C=CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492890311 375455123 /nfs/dbraw/zinc/45/51/23/375455123.db2.gz BHWSNCQNTXPMRL-SIFUEBAJSA-N 1 2 281.359 3.247 20 30 CGEDLO C=CC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494393605 375488819 /nfs/dbraw/zinc/48/88/19/375488819.db2.gz PHHYOFCNHRHOHK-UHFFFAOYSA-N 1 2 266.182 3.302 20 30 CGEDLO C=CC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494393605 375488825 /nfs/dbraw/zinc/48/88/25/375488825.db2.gz PHHYOFCNHRHOHK-UHFFFAOYSA-N 1 2 266.182 3.302 20 30 CGEDLO C=CC[N@@H+](CCOC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000191109074 375577290 /nfs/dbraw/zinc/57/72/90/375577290.db2.gz OADJQKKMVBMWKB-GFCCVEGCSA-N 1 2 266.385 3.168 20 30 CGEDLO C=CC[N@H+](CCOC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000191109074 375577296 /nfs/dbraw/zinc/57/72/96/375577296.db2.gz OADJQKKMVBMWKB-GFCCVEGCSA-N 1 2 266.385 3.168 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(C2CCCC2)n1 ZINC000191145515 375583876 /nfs/dbraw/zinc/58/38/76/375583876.db2.gz ORPWBWSLIPHIFU-UHFFFAOYSA-N 1 2 280.437 3.435 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(C2CCCC2)n1 ZINC000191145515 375583884 /nfs/dbraw/zinc/58/38/84/375583884.db2.gz ORPWBWSLIPHIFU-UHFFFAOYSA-N 1 2 280.437 3.435 20 30 CGEDLO C[C@@]1(F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000501415428 375639917 /nfs/dbraw/zinc/63/99/17/375639917.db2.gz DJOAFHVLFJPHOF-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000501415428 375639923 /nfs/dbraw/zinc/63/99/23/375639923.db2.gz DJOAFHVLFJPHOF-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000192227095 375713530 /nfs/dbraw/zinc/71/35/30/375713530.db2.gz VIXINJSJZIHCOE-UONOGXRCSA-N 1 2 272.392 3.092 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000192227095 375713535 /nfs/dbraw/zinc/71/35/35/375713535.db2.gz VIXINJSJZIHCOE-UONOGXRCSA-N 1 2 272.392 3.092 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000520604246 375866049 /nfs/dbraw/zinc/86/60/49/375866049.db2.gz PRFZDGFLRHPHST-ZDUSSCGKSA-N 1 2 273.311 3.263 20 30 CGEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718684 375952506 /nfs/dbraw/zinc/95/25/06/375952506.db2.gz YEXGILNTYAIFBI-INIZCTEOSA-N 1 2 267.376 3.124 20 30 CGEDLO CC#CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718684 375952507 /nfs/dbraw/zinc/95/25/07/375952507.db2.gz YEXGILNTYAIFBI-INIZCTEOSA-N 1 2 267.376 3.124 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C[C@H](C)C#N ZINC000535787359 376060091 /nfs/dbraw/zinc/06/00/91/376060091.db2.gz XYVNIIXUPPRCOZ-OLZOCXBDSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C[C@H](C)C#N ZINC000535787359 376060097 /nfs/dbraw/zinc/06/00/97/376060097.db2.gz XYVNIIXUPPRCOZ-OLZOCXBDSA-N 1 2 288.391 3.000 20 30 CGEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000337080822 376073606 /nfs/dbraw/zinc/07/36/06/376073606.db2.gz XQFUEGJZJQXAGJ-OLZOCXBDSA-N 1 2 289.423 3.109 20 30 CGEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000337080822 376073613 /nfs/dbraw/zinc/07/36/13/376073613.db2.gz XQFUEGJZJQXAGJ-OLZOCXBDSA-N 1 2 289.423 3.109 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000220949950 376211000 /nfs/dbraw/zinc/21/10/00/376211000.db2.gz NNSRZGFHJBHPRP-VXGBXAGGSA-N 1 2 255.321 3.267 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000223538521 376257327 /nfs/dbraw/zinc/25/73/27/376257327.db2.gz VERFYYSPVBCWPZ-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000223538521 376257331 /nfs/dbraw/zinc/25/73/31/376257331.db2.gz VERFYYSPVBCWPZ-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccncc1F ZINC000338338197 376339041 /nfs/dbraw/zinc/33/90/41/376339041.db2.gz BPKCCMGWXUOYJN-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccncc1F ZINC000338364659 376350851 /nfs/dbraw/zinc/35/08/51/376350851.db2.gz DQRPDCHZZKHYLJ-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(C#N)cc1 ZINC000338374535 376354955 /nfs/dbraw/zinc/35/49/55/376354955.db2.gz UPXFRJDSIHRPGE-LLVKDONJSA-N 1 2 294.314 3.052 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000264489788 190113779 /nfs/dbraw/zinc/11/37/79/190113779.db2.gz SEMQRSVNBGSZBF-OAHLLOKOSA-N 1 2 272.392 3.282 20 30 CGEDLO Cc1ccc(CNc2cc(CC#N)cc[nH+]2)c(C)c1 ZINC000545220104 376800753 /nfs/dbraw/zinc/80/07/53/376800753.db2.gz QPCLQKINKPZGEW-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000339813261 376855910 /nfs/dbraw/zinc/85/59/10/376855910.db2.gz NLSHLVHYEYSKPQ-MRXNPFEDSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000339813261 376855915 /nfs/dbraw/zinc/85/59/15/376855915.db2.gz NLSHLVHYEYSKPQ-MRXNPFEDSA-N 1 2 292.810 3.459 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1F ZINC000341122277 377408011 /nfs/dbraw/zinc/40/80/11/377408011.db2.gz JXNVKULTVDARIN-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3cc(F)ccc3C2)c1F ZINC000341122277 377408018 /nfs/dbraw/zinc/40/80/18/377408018.db2.gz JXNVKULTVDARIN-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1ccn2cc(CNc3cccc(F)c3C#N)[nH+]c2c1 ZINC000341263790 377474896 /nfs/dbraw/zinc/47/48/96/377474896.db2.gz UMPGTNJOVMRYEQ-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000566049697 377491727 /nfs/dbraw/zinc/49/17/27/377491727.db2.gz JQMQSWNKJMKDJG-VIFPVBQESA-N 1 2 293.342 3.338 20 30 CGEDLO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](CC)CC#N)cc1 ZINC000568879750 377524070 /nfs/dbraw/zinc/52/40/70/377524070.db2.gz LFFRBTUCYRPIFS-HIFRSBDPSA-N 1 2 287.407 3.420 20 30 CGEDLO Cc1cc(N2CCC(CCC#N)CC2)nc(C2CC2)[nH+]1 ZINC000570206704 377534581 /nfs/dbraw/zinc/53/45/81/377534581.db2.gz VMLULKKDFAUPOZ-UHFFFAOYSA-N 1 2 270.380 3.183 20 30 CGEDLO Cc1[nH+]c2ccccn2c1COc1ccc(C#N)c(C)c1 ZINC000434656993 249135172 /nfs/dbraw/zinc/13/51/72/249135172.db2.gz ZSEOSJNYAHNJGV-UHFFFAOYSA-N 1 2 277.327 3.402 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631928 378047699 /nfs/dbraw/zinc/04/76/99/378047699.db2.gz XXBYIOAKLBLPEC-NEPJUHHUSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631928 378047707 /nfs/dbraw/zinc/04/77/07/378047707.db2.gz XXBYIOAKLBLPEC-NEPJUHHUSA-N 1 2 261.325 3.137 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)s1 ZINC000343891629 378126552 /nfs/dbraw/zinc/12/65/52/378126552.db2.gz NSDLEEFMJGWWTP-UHFFFAOYSA-N 1 2 294.383 3.095 20 30 CGEDLO C=C(C)CCNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000345325673 378256590 /nfs/dbraw/zinc/25/65/90/378256590.db2.gz SUMBMZQGFBPJSW-UHFFFAOYSA-N 1 2 287.407 3.154 20 30 CGEDLO CCOc1ccc([C@@H]2C[C@H]2Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000582237480 378296142 /nfs/dbraw/zinc/29/61/42/378296142.db2.gz NUVYHMIHQZSNIW-FUHWJXTLSA-N 1 2 293.370 3.050 20 30 CGEDLO CCOc1cccc(C[N@H+](C)C[C@H](C)C#N)c1OC(F)F ZINC000271111501 378454163 /nfs/dbraw/zinc/45/41/63/378454163.db2.gz BSJZUKYQRTVTGZ-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CCOc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1OC(F)F ZINC000271111501 378454171 /nfs/dbraw/zinc/45/41/71/378454171.db2.gz BSJZUKYQRTVTGZ-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000266130965 190233133 /nfs/dbraw/zinc/23/31/33/190233133.db2.gz CWXURQAOMXRRIJ-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C2CC2)O1 ZINC000348206529 378839766 /nfs/dbraw/zinc/83/97/66/378839766.db2.gz PZBXEYNOIOSZFK-BDJLRTHQSA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C2CC2)O1 ZINC000348206529 378839769 /nfs/dbraw/zinc/83/97/69/378839769.db2.gz PZBXEYNOIOSZFK-BDJLRTHQSA-N 1 2 290.794 3.211 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278496336 194011926 /nfs/dbraw/zinc/01/19/26/194011926.db2.gz KHNBPXXSYDPJSK-UHFFFAOYSA-N 1 2 289.354 3.198 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278496336 194011928 /nfs/dbraw/zinc/01/19/28/194011928.db2.gz KHNBPXXSYDPJSK-UHFFFAOYSA-N 1 2 289.354 3.198 20 30 CGEDLO C=CC[N@H+]([C@@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000639057104 378990005 /nfs/dbraw/zinc/99/00/05/378990005.db2.gz CRJFEKPRIJROBW-CQSZACIVSA-N 1 2 260.385 3.077 20 30 CGEDLO C=CC[N@@H+]([C@@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000639057104 378990014 /nfs/dbraw/zinc/99/00/14/378990014.db2.gz CRJFEKPRIJROBW-CQSZACIVSA-N 1 2 260.385 3.077 20 30 CGEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347394387 218219949 /nfs/dbraw/zinc/21/99/49/218219949.db2.gz RMACQBKONIHDEZ-AWEZNQCLSA-N 1 2 284.281 3.094 20 30 CGEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347394387 218219951 /nfs/dbraw/zinc/21/99/51/218219951.db2.gz RMACQBKONIHDEZ-AWEZNQCLSA-N 1 2 284.281 3.094 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/c3ccncc3C#N)n2c1 ZINC000349106970 379161175 /nfs/dbraw/zinc/16/11/75/379161175.db2.gz IVYSXWNFRCOMGV-ONEGZZNKSA-N 1 2 260.300 3.080 20 30 CGEDLO COC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C)o1 ZINC000347634858 218299621 /nfs/dbraw/zinc/29/96/21/218299621.db2.gz KIBVWRALYPSPJP-AWEZNQCLSA-N 1 2 288.322 3.076 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000349979455 379471763 /nfs/dbraw/zinc/47/17/63/379471763.db2.gz XASFORYQDORCHG-NSHDSACASA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000349979455 379471767 /nfs/dbraw/zinc/47/17/67/379471767.db2.gz XASFORYQDORCHG-NSHDSACASA-N 1 2 273.336 3.027 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000279975663 379568400 /nfs/dbraw/zinc/56/84/00/379568400.db2.gz JIUGVESTCQXECR-UHFFFAOYSA-N 1 2 250.390 3.037 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1ncnn1C(C)C ZINC000279975663 379568412 /nfs/dbraw/zinc/56/84/12/379568412.db2.gz JIUGVESTCQXECR-UHFFFAOYSA-N 1 2 250.390 3.037 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000639842465 379605850 /nfs/dbraw/zinc/60/58/50/379605850.db2.gz FKUVMHYIBUWXPW-INIZCTEOSA-N 1 2 297.789 3.319 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000639842465 379605859 /nfs/dbraw/zinc/60/58/59/379605859.db2.gz FKUVMHYIBUWXPW-INIZCTEOSA-N 1 2 297.789 3.319 20 30 CGEDLO C=CCCO[C@H](C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000351135701 379658618 /nfs/dbraw/zinc/65/86/18/379658618.db2.gz ZUVCXGABEPPEQK-CYBMUJFWSA-N 1 2 287.363 3.212 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352420827 379807479 /nfs/dbraw/zinc/80/74/79/379807479.db2.gz HJGHKBLUAVRIQJ-JTQLQIEISA-N 1 2 282.290 3.414 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352420827 379807488 /nfs/dbraw/zinc/80/74/88/379807488.db2.gz HJGHKBLUAVRIQJ-JTQLQIEISA-N 1 2 282.290 3.414 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1nccc(C)c1C#N ZINC000281954698 379848505 /nfs/dbraw/zinc/84/85/05/379848505.db2.gz KCJYGIYLJTWLIH-OAHLLOKOSA-N 1 2 295.390 3.210 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000352819276 379980682 /nfs/dbraw/zinc/98/06/82/379980682.db2.gz AJKQQHCEGLRCAR-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000352823914 379983801 /nfs/dbraw/zinc/98/38/01/379983801.db2.gz PCXPHLXUCIKFLL-GDBMZVCRSA-N 1 2 299.399 3.025 20 30 CGEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352844838 380000784 /nfs/dbraw/zinc/00/07/84/380000784.db2.gz HAZNYBZDXRZGOO-NSHDSACASA-N 1 2 287.388 3.183 20 30 CGEDLO Cc1cnc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)s1 ZINC000352849615 380003838 /nfs/dbraw/zinc/00/38/38/380003838.db2.gz XHVSVFPRIFUMRN-GFCCVEGCSA-N 1 2 290.417 3.021 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccc(Cl)cc2F)n1 ZINC000352852889 380005498 /nfs/dbraw/zinc/00/54/98/380005498.db2.gz LJVXMCOWSOUQJA-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](C#N)CCC#N ZINC000352900302 380027531 /nfs/dbraw/zinc/02/75/31/380027531.db2.gz GQHAQZTXFBBRTJ-MRXNPFEDSA-N 1 2 299.422 3.286 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](C#N)CCC#N ZINC000352900302 380027532 /nfs/dbraw/zinc/02/75/32/380027532.db2.gz GQHAQZTXFBBRTJ-MRXNPFEDSA-N 1 2 299.422 3.286 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1nc(CC)no1 ZINC000411141865 380132424 /nfs/dbraw/zinc/13/24/24/380132424.db2.gz VRMLPAQNBLHLEL-LLVKDONJSA-N 1 2 277.393 3.443 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1nc(CC)no1 ZINC000411141865 380132429 /nfs/dbraw/zinc/13/24/29/380132429.db2.gz VRMLPAQNBLHLEL-LLVKDONJSA-N 1 2 277.393 3.443 20 30 CGEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1nnc(C)[nH]1)c1ccc(F)c(F)c1 ZINC000411551635 380151717 /nfs/dbraw/zinc/15/17/17/380151717.db2.gz FEMZJFQWTQNKIJ-YMTOWFKASA-N 1 2 292.333 3.359 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnc(-c2ccncc2)s1)C1CC1 ZINC000354044152 380298440 /nfs/dbraw/zinc/29/84/40/380298440.db2.gz GFBQJRWUOYZMPD-LBPRGKRZSA-N 1 2 298.415 3.329 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CC1 ZINC000354044152 380298445 /nfs/dbraw/zinc/29/84/45/380298445.db2.gz GFBQJRWUOYZMPD-LBPRGKRZSA-N 1 2 298.415 3.329 20 30 CGEDLO Cc1ccn2cc(CNc3c(F)cc(C#N)cc3F)[nH+]c2c1 ZINC000354689906 380527330 /nfs/dbraw/zinc/52/73/30/380527330.db2.gz GMQFUGMBCCFVFL-UHFFFAOYSA-N 1 2 298.296 3.405 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)nn1C)Cc1ccccc1F ZINC000417728533 380672612 /nfs/dbraw/zinc/67/26/12/380672612.db2.gz ASULIQONZGGTLB-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)nn1C)Cc1ccccc1F ZINC000417728533 380672616 /nfs/dbraw/zinc/67/26/16/380672616.db2.gz ASULIQONZGGTLB-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1n[nH]cc1C ZINC000356330987 380798116 /nfs/dbraw/zinc/79/81/16/380798116.db2.gz DFAULBLNCMQIFT-UHFFFAOYSA-N 1 2 287.411 3.074 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1n[nH]cc1C ZINC000356330987 380798120 /nfs/dbraw/zinc/79/81/20/380798120.db2.gz DFAULBLNCMQIFT-UHFFFAOYSA-N 1 2 287.411 3.074 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000358495162 381312014 /nfs/dbraw/zinc/31/20/14/381312014.db2.gz HJTIIDSVZALFHQ-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000358495162 381312019 /nfs/dbraw/zinc/31/20/19/381312019.db2.gz HJTIIDSVZALFHQ-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000359879724 381378709 /nfs/dbraw/zinc/37/87/09/381378709.db2.gz UCZHDNQWWCSHJN-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(F)cc1C#N ZINC000359879724 381378713 /nfs/dbraw/zinc/37/87/13/381378713.db2.gz UCZHDNQWWCSHJN-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO Cc1cc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)[nH]n1 ZINC000334900722 207264303 /nfs/dbraw/zinc/26/43/03/207264303.db2.gz WYQBLIZTGZRRGG-UHFFFAOYSA-N 1 2 298.365 3.109 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000192222944 533111148 /nfs/dbraw/zinc/11/11/48/533111148.db2.gz AMWMXVGRPAEVBF-JTQLQIEISA-N 1 2 275.739 3.016 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000192222944 533111151 /nfs/dbraw/zinc/11/11/51/533111151.db2.gz AMWMXVGRPAEVBF-JTQLQIEISA-N 1 2 275.739 3.016 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)CCC(C)C)c1OC ZINC000093100871 392234541 /nfs/dbraw/zinc/23/45/41/392234541.db2.gz NNYKMUFWBXNDNJ-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1OC ZINC000093100871 392234544 /nfs/dbraw/zinc/23/45/44/392234544.db2.gz NNYKMUFWBXNDNJ-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)cc(Cl)c1OC ZINC000093090398 392235008 /nfs/dbraw/zinc/23/50/08/392235008.db2.gz JVMMKUACUKRSEW-LLVKDONJSA-N 1 2 296.798 3.481 20 30 CGEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(Cl)c1OC ZINC000093090398 392235011 /nfs/dbraw/zinc/23/50/11/392235011.db2.gz JVMMKUACUKRSEW-LLVKDONJSA-N 1 2 296.798 3.481 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@@H+]2CC#Cc2ccc(F)cc2)n1 ZINC000285767361 392330755 /nfs/dbraw/zinc/33/07/55/392330755.db2.gz SQOMRPRMALWLOT-MRXNPFEDSA-N 1 2 299.349 3.096 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)n1 ZINC000285767361 392330762 /nfs/dbraw/zinc/33/07/62/392330762.db2.gz SQOMRPRMALWLOT-MRXNPFEDSA-N 1 2 299.349 3.096 20 30 CGEDLO Cc1nc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC000291643813 392476255 /nfs/dbraw/zinc/47/62/55/392476255.db2.gz MXSVOWOXRYPFJN-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C=CCO[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000302119341 392610374 /nfs/dbraw/zinc/61/03/74/392610374.db2.gz CZXIUEUJIJRDBU-HNNXBMFYSA-N 1 2 268.360 3.325 20 30 CGEDLO CC[C@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329630096 392688277 /nfs/dbraw/zinc/68/82/77/392688277.db2.gz VIICPLIXBLHHLL-AVGNSLFASA-N 1 2 275.396 3.440 20 30 CGEDLO CC[C@H]1CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329630096 392688285 /nfs/dbraw/zinc/68/82/85/392688285.db2.gz VIICPLIXBLHHLL-AVGNSLFASA-N 1 2 275.396 3.440 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377499510 392885770 /nfs/dbraw/zinc/88/57/70/392885770.db2.gz CCNMWEISYXQFHC-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377499510 392885779 /nfs/dbraw/zinc/88/57/79/392885779.db2.gz CCNMWEISYXQFHC-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000339006408 392939660 /nfs/dbraw/zinc/93/96/60/392939660.db2.gz JEJXPPMIGFFXEK-MBNYWOFBSA-N 1 2 293.436 3.365 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC000339006408 392939666 /nfs/dbraw/zinc/93/96/66/392939666.db2.gz JEJXPPMIGFFXEK-MBNYWOFBSA-N 1 2 293.436 3.365 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000339086997 392947540 /nfs/dbraw/zinc/94/75/40/392947540.db2.gz RRBIKNYGSWIJTA-OUCADQQQSA-N 1 2 282.347 3.079 20 30 CGEDLO CCC[N@H+](Cc1nccn1CC)Cc1ccc(C#N)cc1 ZINC000195514721 392969824 /nfs/dbraw/zinc/96/98/24/392969824.db2.gz YOAJCBDPQYHONK-UHFFFAOYSA-N 1 2 282.391 3.187 20 30 CGEDLO CCC[N@@H+](Cc1nccn1CC)Cc1ccc(C#N)cc1 ZINC000195514721 392969828 /nfs/dbraw/zinc/96/98/28/392969828.db2.gz YOAJCBDPQYHONK-UHFFFAOYSA-N 1 2 282.391 3.187 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000342856091 393010904 /nfs/dbraw/zinc/01/09/04/393010904.db2.gz BYYWTXLGUSLNBY-HUUCEWRRSA-N 1 2 284.403 3.027 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342966975 393014301 /nfs/dbraw/zinc/01/43/01/393014301.db2.gz ALNWGUYOHVNJQX-CYBMUJFWSA-N 1 2 290.411 3.044 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000348813475 393132503 /nfs/dbraw/zinc/13/25/03/393132503.db2.gz HIUKQJPLPAJKKE-OAHLLOKOSA-N 1 2 299.374 3.280 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000348813475 393132508 /nfs/dbraw/zinc/13/25/08/393132508.db2.gz HIUKQJPLPAJKKE-OAHLLOKOSA-N 1 2 299.374 3.280 20 30 CGEDLO C=C(C)CC[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000351753273 393195176 /nfs/dbraw/zinc/19/51/76/393195176.db2.gz VVTFWXQYZOUGFM-CYBMUJFWSA-N 1 2 299.823 3.066 20 30 CGEDLO C=C(C)CC[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000351753273 393195178 /nfs/dbraw/zinc/19/51/78/393195178.db2.gz VVTFWXQYZOUGFM-CYBMUJFWSA-N 1 2 299.823 3.066 20 30 CGEDLO CC[C@@H](Nc1ncc(Cl)c(C)c1C#N)c1[nH]cc[nH+]1 ZINC000357695853 393514942 /nfs/dbraw/zinc/51/49/42/393514942.db2.gz IVWNYTIKNMVDKX-LLVKDONJSA-N 1 2 275.743 3.201 20 30 CGEDLO C=CCOCCCSCc1cn2c(cccc2C)[nH+]1 ZINC000359128316 393538043 /nfs/dbraw/zinc/53/80/43/393538043.db2.gz PWGSYEWXCRQJAO-UHFFFAOYSA-N 1 2 276.405 3.469 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667957123 542949494 /nfs/dbraw/zinc/94/94/94/542949494.db2.gz ZWVKLDKHTQSWBL-GFCCVEGCSA-N 1 2 272.352 3.119 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)c1 ZINC000668824322 543067610 /nfs/dbraw/zinc/06/76/10/543067610.db2.gz OZUVQUNFTBTDMR-INIZCTEOSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCO[C@](C)(C(F)F)C2)c1 ZINC000668824322 543067614 /nfs/dbraw/zinc/06/76/14/543067614.db2.gz OZUVQUNFTBTDMR-INIZCTEOSA-N 1 2 297.345 3.107 20 30 CGEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000188033274 397662639 /nfs/dbraw/zinc/66/26/39/397662639.db2.gz BOVSZSFFIGTMQL-CYBMUJFWSA-N 1 2 299.349 3.001 20 30 CGEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000188033274 397662641 /nfs/dbraw/zinc/66/26/41/397662641.db2.gz BOVSZSFFIGTMQL-CYBMUJFWSA-N 1 2 299.349 3.001 20 30 CGEDLO C=CC[N@@H+](CC#CCOC)Cc1ccc(Cl)s1 ZINC000677817593 543466994 /nfs/dbraw/zinc/46/69/94/543466994.db2.gz QXEYWIBNRPUEAS-UHFFFAOYSA-N 1 2 269.797 3.039 20 30 CGEDLO C=CC[N@H+](CC#CCOC)Cc1ccc(Cl)s1 ZINC000677817593 543466997 /nfs/dbraw/zinc/46/69/97/543466997.db2.gz QXEYWIBNRPUEAS-UHFFFAOYSA-N 1 2 269.797 3.039 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000354725361 227083757 /nfs/dbraw/zinc/08/37/57/227083757.db2.gz KFRHNGWVKBTUEN-AWEZNQCLSA-N 1 2 281.359 3.465 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000354725361 227083762 /nfs/dbraw/zinc/08/37/62/227083762.db2.gz KFRHNGWVKBTUEN-AWEZNQCLSA-N 1 2 281.359 3.465 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912140 419112081 /nfs/dbraw/zinc/11/20/81/419112081.db2.gz ONEYDMREYLBRNS-HOCLYGCPSA-N 1 2 268.360 3.350 20 30 CGEDLO Cc1nc2ccccn2c1C[N@H+](CCC#N)CC(C)(C)C ZINC000353417661 228099348 /nfs/dbraw/zinc/09/93/48/228099348.db2.gz WBPYGBHOEVQGPR-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1nc2ccccn2c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000353417661 228099349 /nfs/dbraw/zinc/09/93/49/228099349.db2.gz WBPYGBHOEVQGPR-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO N#CCC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367149965 228073239 /nfs/dbraw/zinc/07/32/39/228073239.db2.gz AMECEFWZVMTGKW-OAHLLOKOSA-N 1 2 264.319 3.462 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)co2)cc1 ZINC000332191496 228151721 /nfs/dbraw/zinc/15/17/21/228151721.db2.gz PPWFIESFNJMCAK-ZBFHGGJFSA-N 1 2 281.359 3.432 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCCC#N ZINC000336050247 228182590 /nfs/dbraw/zinc/18/25/90/228182590.db2.gz TUIADSNGQPUJOM-JTQLQIEISA-N 1 2 250.292 3.188 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCCC#N ZINC000336050247 228182591 /nfs/dbraw/zinc/18/25/91/228182591.db2.gz TUIADSNGQPUJOM-JTQLQIEISA-N 1 2 250.292 3.188 20 30 CGEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000662168547 419350738 /nfs/dbraw/zinc/35/07/38/419350738.db2.gz KOZIZFSLVFEUGK-GXFFZTMASA-N 1 2 292.766 3.193 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000058575385 260227103 /nfs/dbraw/zinc/22/71/03/260227103.db2.gz LGQLOXQNTVSARM-NSHDSACASA-N 1 2 297.196 3.062 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000058575385 260227105 /nfs/dbraw/zinc/22/71/05/260227105.db2.gz LGQLOXQNTVSARM-NSHDSACASA-N 1 2 297.196 3.062 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000129790005 260390641 /nfs/dbraw/zinc/39/06/41/260390641.db2.gz GFBDXAPDPKTEBC-ZCFIWIBFSA-N 1 2 281.606 3.309 20 30 CGEDLO CCC(CC)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448273732 261079721 /nfs/dbraw/zinc/07/97/21/261079721.db2.gz SSNKIAPHMSFGEE-CVEARBPZSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC(CC)C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448273732 261079723 /nfs/dbraw/zinc/07/97/23/261079723.db2.gz SSNKIAPHMSFGEE-CVEARBPZSA-N 1 2 264.413 3.350 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1ccsc1 ZINC000162262799 261274402 /nfs/dbraw/zinc/27/44/02/261274402.db2.gz PSYUYYVOJXABBE-UHFFFAOYSA-N 1 2 273.361 3.438 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184091977 262008110 /nfs/dbraw/zinc/00/81/10/262008110.db2.gz ZDARHOTUYUILSG-SNVBAGLBSA-N 1 2 267.716 3.030 20 30 CGEDLO COc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)c(OC)c1OC ZINC000185731906 262068534 /nfs/dbraw/zinc/06/85/34/262068534.db2.gz UNRLZHOEECXVBV-NWDGAFQWSA-N 1 2 290.363 3.207 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000364000431 262087397 /nfs/dbraw/zinc/08/73/97/262087397.db2.gz GAKJWKGYUGDDQG-RDJZCZTQSA-N 1 2 289.423 3.244 20 30 CGEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000364000431 262087399 /nfs/dbraw/zinc/08/73/99/262087399.db2.gz GAKJWKGYUGDDQG-RDJZCZTQSA-N 1 2 289.423 3.244 20 30 CGEDLO Cc1cc(F)c(C[NH+]2CCC(C#N)CC2)c(F)c1 ZINC000335148152 262366104 /nfs/dbraw/zinc/36/61/04/262366104.db2.gz SWZFKVLHUDFKLV-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO CS[C@@H]1CCC[C@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265286567 262905838 /nfs/dbraw/zinc/90/58/38/262905838.db2.gz GTHNVDBWBZSXTI-FIZWVAMCSA-N 1 2 265.378 3.191 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000272512813 263005701 /nfs/dbraw/zinc/00/57/01/263005701.db2.gz JLBHMBIUZBOBTR-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272644191 263007793 /nfs/dbraw/zinc/00/77/93/263007793.db2.gz YCRWXNCQOLZWPC-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncc(F)c1 ZINC000275113508 263032625 /nfs/dbraw/zinc/03/26/25/263032625.db2.gz HAOTXTDVEXSHLR-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncc(F)c1 ZINC000275113508 263032626 /nfs/dbraw/zinc/03/26/26/263032626.db2.gz HAOTXTDVEXSHLR-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000277417353 263041153 /nfs/dbraw/zinc/04/11/53/263041153.db2.gz OYTFIOFMGJCIRP-OSMMRYEZSA-N 1 2 277.364 3.025 20 30 CGEDLO CC[N@@H+](CC#N)CCCc1c(F)cccc1Cl ZINC000278153646 263045625 /nfs/dbraw/zinc/04/56/25/263045625.db2.gz CNUUTHILEMDVRC-UHFFFAOYSA-N 1 2 254.736 3.257 20 30 CGEDLO CC[N@H+](CC#N)CCCc1c(F)cccc1Cl ZINC000278153646 263045626 /nfs/dbraw/zinc/04/56/26/263045626.db2.gz CNUUTHILEMDVRC-UHFFFAOYSA-N 1 2 254.736 3.257 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCSC(C)C)c1 ZINC000286441871 263098564 /nfs/dbraw/zinc/09/85/64/263098564.db2.gz ITASOVZDTGPPKM-XNTDXEJSSA-N 1 2 267.394 3.351 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N(CCC#N)CCC(C)C ZINC000287420748 263101946 /nfs/dbraw/zinc/10/19/46/263101946.db2.gz FUJYQESMQDNYMK-UHFFFAOYSA-N 1 2 288.395 3.492 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000292137721 263128840 /nfs/dbraw/zinc/12/88/40/263128840.db2.gz JFUKKYRPYDYVTF-GFCCVEGCSA-N 1 2 259.309 3.057 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000292137721 263128841 /nfs/dbraw/zinc/12/88/41/263128841.db2.gz JFUKKYRPYDYVTF-GFCCVEGCSA-N 1 2 259.309 3.057 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000292636743 263133300 /nfs/dbraw/zinc/13/33/00/263133300.db2.gz ZFDSCGVLDVFIKE-MRXNPFEDSA-N 1 2 260.381 3.388 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000292636743 263133301 /nfs/dbraw/zinc/13/33/01/263133301.db2.gz ZFDSCGVLDVFIKE-MRXNPFEDSA-N 1 2 260.381 3.388 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1cc(F)ncc1F)c1ccccc1 ZINC000295871522 263183081 /nfs/dbraw/zinc/18/30/81/263183081.db2.gz XJRGFZWWCWTUEM-OAHLLOKOSA-N 1 2 287.313 3.494 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000299357345 263240675 /nfs/dbraw/zinc/24/06/75/263240675.db2.gz TYKYGRBVGCLKPN-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000299357345 263240676 /nfs/dbraw/zinc/24/06/76/263240676.db2.gz TYKYGRBVGCLKPN-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990668 263382217 /nfs/dbraw/zinc/38/22/17/263382217.db2.gz NSOOMBHHJYMZRH-HOTGVXAUSA-N 1 2 299.336 3.162 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990668 263382219 /nfs/dbraw/zinc/38/22/19/263382219.db2.gz NSOOMBHHJYMZRH-HOTGVXAUSA-N 1 2 299.336 3.162 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000334178553 263498657 /nfs/dbraw/zinc/49/86/57/263498657.db2.gz DDSMYAZJAGTPJZ-ZDUSSCGKSA-N 1 2 279.181 3.004 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000334178553 263498658 /nfs/dbraw/zinc/49/86/58/263498658.db2.gz DDSMYAZJAGTPJZ-ZDUSSCGKSA-N 1 2 279.181 3.004 20 30 CGEDLO CS[C@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331348509 264205652 /nfs/dbraw/zinc/20/56/52/264205652.db2.gz XGWUEMNIDXOCQV-SNVBAGLBSA-N 1 2 267.398 3.084 20 30 CGEDLO C=CC[N@@H+](CC(=O)c1c(C)[nH]c2ccccc21)C1CC1 ZINC000357554192 266324143 /nfs/dbraw/zinc/32/41/43/266324143.db2.gz NUDLLKABARAHKK-UHFFFAOYSA-N 1 2 268.360 3.309 20 30 CGEDLO C=CC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)C1CC1 ZINC000357554192 266324146 /nfs/dbraw/zinc/32/41/46/266324146.db2.gz NUDLLKABARAHKK-UHFFFAOYSA-N 1 2 268.360 3.309 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000278947427 275387448 /nfs/dbraw/zinc/38/74/48/275387448.db2.gz MQVIUMGZUDAPJO-INIZCTEOSA-N 1 2 265.360 3.118 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000278947427 275387451 /nfs/dbraw/zinc/38/74/51/275387451.db2.gz MQVIUMGZUDAPJO-INIZCTEOSA-N 1 2 265.360 3.118 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000336420179 275750533 /nfs/dbraw/zinc/75/05/33/275750533.db2.gz YUVMDPZDCAOLFO-CQSZACIVSA-N 1 2 284.363 3.215 20 30 CGEDLO Cc1cc(N2CC[C@@](C)(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425238957 280571696 /nfs/dbraw/zinc/57/16/96/280571696.db2.gz NIZIALZJVXVLFN-GOSISDBHSA-N 1 2 277.371 3.430 20 30 CGEDLO Cc1cccc2c1N(Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000342782152 281281355 /nfs/dbraw/zinc/28/13/55/281281355.db2.gz RVCLHCJVHSMISK-UHFFFAOYSA-N 1 2 288.354 3.077 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000281370888 303088979 /nfs/dbraw/zinc/08/89/79/303088979.db2.gz VMMNBCVFHBWOFS-QGZVFWFLSA-N 1 2 280.375 3.019 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000281370888 303088981 /nfs/dbraw/zinc/08/89/81/303088981.db2.gz VMMNBCVFHBWOFS-QGZVFWFLSA-N 1 2 280.375 3.019 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000565168672 328071941 /nfs/dbraw/zinc/07/19/41/328071941.db2.gz FDUOTCKKMVJRSU-JTQLQIEISA-N 1 2 297.189 3.423 20 30 CGEDLO C=CCCCCCNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000571462853 328123467 /nfs/dbraw/zinc/12/34/67/328123467.db2.gz WVLQJAFMCOXUDW-CYBMUJFWSA-N 1 2 278.400 3.010 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1c(F)cccc1F ZINC000264894999 328162644 /nfs/dbraw/zinc/16/26/44/328162644.db2.gz UMPJPFSUVOCJGY-GHMZBOCLSA-N 1 2 263.291 3.059 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000269049701 328189258 /nfs/dbraw/zinc/18/92/58/328189258.db2.gz UYXLAKHFZXOXJP-CRRKTRLDSA-N 1 2 289.375 3.399 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCOCC12CCCC2 ZINC000534969619 328372298 /nfs/dbraw/zinc/37/22/98/328372298.db2.gz RPEXBGTUGCRWAZ-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCOCC12CCCC2 ZINC000534969619 328372300 /nfs/dbraw/zinc/37/23/00/328372300.db2.gz RPEXBGTUGCRWAZ-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO C=CCc1ccc(OCc2c[nH+]ccc2OC)c(OC)c1 ZINC000341356749 328408563 /nfs/dbraw/zinc/40/85/63/328408563.db2.gz MKNJTLAQCDKKMD-UHFFFAOYSA-N 1 2 285.343 3.406 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528381576 328591600 /nfs/dbraw/zinc/59/16/00/328591600.db2.gz NXCMGCTZOSRLBE-UHFFFAOYSA-N 1 2 282.746 3.070 20 30 CGEDLO CCCCCCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374342886 327101634 /nfs/dbraw/zinc/10/16/34/327101634.db2.gz VXBMSLLXWRRRSO-OAHLLOKOSA-N 1 2 291.439 3.487 20 30 CGEDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](C#N)CCC#N ZINC000078316111 327134894 /nfs/dbraw/zinc/13/48/94/327134894.db2.gz PDRBSFSYJOMPKM-ZDUSSCGKSA-N 1 2 293.317 3.163 20 30 CGEDLO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](C#N)CCC#N ZINC000078316111 327134895 /nfs/dbraw/zinc/13/48/95/327134895.db2.gz PDRBSFSYJOMPKM-ZDUSSCGKSA-N 1 2 293.317 3.163 20 30 CGEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OCC2CC2)c1 ZINC000559973802 327274479 /nfs/dbraw/zinc/27/44/79/327274479.db2.gz VWTVMNPQNHYUMY-MRXNPFEDSA-N 1 2 297.402 3.317 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000578520273 327342608 /nfs/dbraw/zinc/34/26/08/327342608.db2.gz UPQYJUFDRIRMRJ-ZDUSSCGKSA-N 1 2 273.311 3.263 20 30 CGEDLO CC[C@H]1CCCCN1C(=O)C[N@H+](CCC#N)CCC(C)C ZINC000173548220 329148803 /nfs/dbraw/zinc/14/88/03/329148803.db2.gz YALUTJLYXCTIEC-INIZCTEOSA-N 1 2 293.455 3.039 20 30 CGEDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](CCC#N)CCC(C)C ZINC000173548220 329148804 /nfs/dbraw/zinc/14/88/04/329148804.db2.gz YALUTJLYXCTIEC-INIZCTEOSA-N 1 2 293.455 3.039 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1c(C)cc[nH+]c1C)OCC ZINC000425598406 329174621 /nfs/dbraw/zinc/17/46/21/329174621.db2.gz WLAXFULDPOXDQQ-CYBMUJFWSA-N 1 2 262.353 3.008 20 30 CGEDLO CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C[C@H](C)C#N ZINC000183576113 329248641 /nfs/dbraw/zinc/24/86/41/329248641.db2.gz BUKPUKZBKZMETI-MRVPVSSYSA-N 1 2 291.342 3.452 20 30 CGEDLO CC[N@H+](Cc1sc(C)nc1C(F)(F)F)C[C@H](C)C#N ZINC000183576113 329248642 /nfs/dbraw/zinc/24/86/42/329248642.db2.gz BUKPUKZBKZMETI-MRVPVSSYSA-N 1 2 291.342 3.452 20 30 CGEDLO CC(C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000193695950 329683379 /nfs/dbraw/zinc/68/33/79/329683379.db2.gz MVIGKCLERKMCCU-UHFFFAOYSA-N 1 2 296.374 3.251 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000419220861 329712142 /nfs/dbraw/zinc/71/21/42/329712142.db2.gz ABTSCZBNXUHGMR-AWEZNQCLSA-N 1 2 295.810 3.226 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000527716478 330276855 /nfs/dbraw/zinc/27/68/55/330276855.db2.gz MYZGJHMYBJEGLA-UHFFFAOYSA-N 1 2 282.347 3.345 20 30 CGEDLO C=CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH+]cn1C(C)C ZINC000424577100 330386658 /nfs/dbraw/zinc/38/66/58/330386658.db2.gz OCEUXZWORLIFSU-INIZCTEOSA-N 1 2 296.374 3.217 20 30 CGEDLO C=CCC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000449837584 330951657 /nfs/dbraw/zinc/95/16/57/330951657.db2.gz XMKSFVVPMZIPKV-AWEZNQCLSA-N 1 2 287.407 3.252 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450858266 331003165 /nfs/dbraw/zinc/00/31/65/331003165.db2.gz LFMXIQNXLMRBSL-HYVNUMGLSA-N 1 2 286.419 3.165 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450858266 331003166 /nfs/dbraw/zinc/00/31/66/331003166.db2.gz LFMXIQNXLMRBSL-HYVNUMGLSA-N 1 2 286.419 3.165 20 30 CGEDLO C=CC[C@H](C(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456366861 331191201 /nfs/dbraw/zinc/19/12/01/331191201.db2.gz WNFWWJVSDUECTA-HOCLYGCPSA-N 1 2 297.402 3.440 20 30 CGEDLO C=C[C@H](CC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456372531 331191476 /nfs/dbraw/zinc/19/14/76/331191476.db2.gz ZIAAIILRLRZICL-LSDHHAIUSA-N 1 2 297.402 3.440 20 30 CGEDLO CC1(C#N)C[NH+](CCCCCOc2ccccc2)C1 ZINC000459595806 331289843 /nfs/dbraw/zinc/28/98/43/331289843.db2.gz RBOWWEBTBXNVDT-UHFFFAOYSA-N 1 2 258.365 3.081 20 30 CGEDLO Fc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000489240642 332044134 /nfs/dbraw/zinc/04/41/34/332044134.db2.gz SLRJKLLRALYJRC-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO Fc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000489240642 332044136 /nfs/dbraw/zinc/04/41/36/332044136.db2.gz SLRJKLLRALYJRC-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc([C@H](C)SCC)no1 ZINC000489487026 332055807 /nfs/dbraw/zinc/05/58/07/332055807.db2.gz ZUBVGDGONISOSY-RYUDHWBXSA-N 1 2 281.425 3.424 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc([C@H](C)SCC)no1 ZINC000489487026 332055808 /nfs/dbraw/zinc/05/58/08/332055808.db2.gz ZUBVGDGONISOSY-RYUDHWBXSA-N 1 2 281.425 3.424 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1cnc(C)cn1 ZINC000491618301 332244860 /nfs/dbraw/zinc/24/48/60/332244860.db2.gz DPNYNBOSRRSHIW-CQSZACIVSA-N 1 2 283.350 3.121 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1cnc(C)cn1 ZINC000491618301 332244861 /nfs/dbraw/zinc/24/48/61/332244861.db2.gz DPNYNBOSRRSHIW-CQSZACIVSA-N 1 2 283.350 3.121 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000491635501 332256296 /nfs/dbraw/zinc/25/62/96/332256296.db2.gz KNUVIZFXRLIDNW-QGZVFWFLSA-N 1 2 282.293 3.301 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000491786129 332348909 /nfs/dbraw/zinc/34/89/09/332348909.db2.gz TVZLXBXUJIFTIS-JTQLQIEISA-N 1 2 295.308 3.046 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000491786129 332348910 /nfs/dbraw/zinc/34/89/10/332348910.db2.gz TVZLXBXUJIFTIS-JTQLQIEISA-N 1 2 295.308 3.046 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1F ZINC000491802694 332356533 /nfs/dbraw/zinc/35/65/33/332356533.db2.gz HAERGDKVTOWYAJ-OAHLLOKOSA-N 1 2 274.726 3.338 20 30 CGEDLO N#CCCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000172405584 335104613 /nfs/dbraw/zinc/10/46/13/335104613.db2.gz MSGYZZVZRSELLI-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO N#CCCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000172405584 335104614 /nfs/dbraw/zinc/10/46/14/335104614.db2.gz MSGYZZVZRSELLI-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO C=C(C)CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000505570599 332744702 /nfs/dbraw/zinc/74/47/02/332744702.db2.gz MSEYIKPCVOYBPC-UHFFFAOYSA-N 1 2 255.243 3.416 20 30 CGEDLO C=CCC[C@@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1 ZINC000178846046 333078020 /nfs/dbraw/zinc/07/80/20/333078020.db2.gz ATHKNJRSCUUSIH-OAHLLOKOSA-N 1 2 293.374 3.483 20 30 CGEDLO COc1cccc(C[NH2+]CCC#N)c1OC1CCCC1 ZINC000517557079 333102576 /nfs/dbraw/zinc/10/25/76/333102576.db2.gz WOZYTXBKIYKWDB-UHFFFAOYSA-N 1 2 274.364 3.020 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185599061 333144554 /nfs/dbraw/zinc/14/45/54/333144554.db2.gz GMPSQBJJRRNVII-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185599061 333144555 /nfs/dbraw/zinc/14/45/55/333144555.db2.gz GMPSQBJJRRNVII-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185864247 333150559 /nfs/dbraw/zinc/15/05/59/333150559.db2.gz PNAJMIIJLDGCEJ-MJBXVCDLSA-N 1 2 280.412 3.025 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000528700301 333452904 /nfs/dbraw/zinc/45/29/04/333452904.db2.gz JLMKTKQOHNFWJH-UHFFFAOYSA-N 1 2 284.363 3.150 20 30 CGEDLO Cc1cccc(CNc2cc(CC#N)cc[nH+]2)c1C ZINC000546633987 334042318 /nfs/dbraw/zinc/04/23/18/334042318.db2.gz HKTHHCNAWUAKRK-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(F)c3cccnc23)c1 ZINC000547340025 334081145 /nfs/dbraw/zinc/08/11/45/334081145.db2.gz NADNEUKICXGMPF-UHFFFAOYSA-N 1 2 292.317 3.447 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2ccccc2C)o1 ZINC000577161300 335312625 /nfs/dbraw/zinc/31/26/25/335312625.db2.gz DGSINGBNTAQKQO-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2ccccc2C)o1 ZINC000577161300 335312627 /nfs/dbraw/zinc/31/26/27/335312627.db2.gz DGSINGBNTAQKQO-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO CC[C@@](C)(NC(=O)c1c[nH+]c(C)[nH]1)c1nc(C)cs1 ZINC000330451432 500728644 /nfs/dbraw/zinc/72/86/44/500728644.db2.gz KFOLNTBVPTZFBL-CYBMUJFWSA-N 1 2 278.381 3.113 20 30 CGEDLO C[C@H](CCC1CC1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329950406 533814776 /nfs/dbraw/zinc/81/47/76/533814776.db2.gz LWHFFPIPDASAMN-OCCSQVGLSA-N 1 2 290.411 3.429 20 30 CGEDLO CSCc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425254606 533843093 /nfs/dbraw/zinc/84/30/93/533843093.db2.gz NVXVMNZEWOQXRY-UHFFFAOYSA-N 1 2 283.400 3.159 20 30 CGEDLO Cc1cc(NCc2ccc(C#N)o2)ccc1[NH+](C)C ZINC000120157118 533997439 /nfs/dbraw/zinc/99/74/39/533997439.db2.gz MNXGYUZSKRSDPM-UHFFFAOYSA-N 1 2 255.321 3.138 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)sc2C1 ZINC000350467021 534269989 /nfs/dbraw/zinc/26/99/89/534269989.db2.gz ZEHWLMFTWSVELF-IJLUTSLNSA-N 1 2 275.421 3.050 20 30 CGEDLO Cc1nc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000367710820 534589246 /nfs/dbraw/zinc/58/92/46/534589246.db2.gz WEGJBPNRWSERFD-LBPRGKRZSA-N 1 2 294.358 3.100 20 30 CGEDLO Cc1nc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000367710820 534589250 /nfs/dbraw/zinc/58/92/50/534589250.db2.gz WEGJBPNRWSERFD-LBPRGKRZSA-N 1 2 294.358 3.100 20 30 CGEDLO COC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000184552114 522346205 /nfs/dbraw/zinc/34/62/05/522346205.db2.gz JFDHPVFQYSXRBM-OAHLLOKOSA-N 1 2 289.762 3.262 20 30 CGEDLO COC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000184561241 522348136 /nfs/dbraw/zinc/34/81/36/522348136.db2.gz MZXBPVGEKOZOHT-OAHLLOKOSA-N 1 2 289.762 3.262 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnccc1C ZINC000353458883 526350287 /nfs/dbraw/zinc/35/02/87/526350287.db2.gz LTOKOVVQIRCFND-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnccc1C ZINC000353458883 526350293 /nfs/dbraw/zinc/35/02/93/526350293.db2.gz LTOKOVVQIRCFND-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=C(C)COCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354893257 526657493 /nfs/dbraw/zinc/65/74/93/526657493.db2.gz YBFYFYGJABNDCB-UHFFFAOYSA-N 1 2 260.312 3.379 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cocn1)c1ccc(F)c(F)c1 ZINC000192345175 526820460 /nfs/dbraw/zinc/82/04/60/526820460.db2.gz HVPLDHVTBQRLAT-AWEZNQCLSA-N 1 2 264.275 3.360 20 30 CGEDLO C=C1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000350737607 526907821 /nfs/dbraw/zinc/90/78/21/526907821.db2.gz QMGSOUZYPVKVDY-UHFFFAOYSA-N 1 2 266.348 3.003 20 30 CGEDLO Cc1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000727263049 571736662 /nfs/dbraw/zinc/73/66/62/571736662.db2.gz KMFPYTIRAOGLOE-UHFFFAOYSA-N 1 2 277.331 3.022 20 30 CGEDLO COc1ccc(O)c(C=Nc2ccc3c(c2)[nH+]c(C)n3C)c1 ZINC000743045804 572392880 /nfs/dbraw/zinc/39/28/80/572392880.db2.gz ZQBSHBGUGYPSNV-UHFFFAOYSA-N 1 2 295.342 3.347 20 30 CGEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(C(C)C)C1CCCC1 ZINC000739915396 572426887 /nfs/dbraw/zinc/42/68/87/572426887.db2.gz ZMNGPUTXYFSRII-UHFFFAOYSA-N 1 2 293.455 3.038 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(C(C)C)C1CCCC1 ZINC000739915396 572426889 /nfs/dbraw/zinc/42/68/89/572426889.db2.gz ZMNGPUTXYFSRII-UHFFFAOYSA-N 1 2 293.455 3.038 20 30 CGEDLO O=C1c2cccc(F)c2C/C1=C\c1c[nH+]c2ccccn12 ZINC000740764769 572455414 /nfs/dbraw/zinc/45/54/14/572455414.db2.gz FDNLTYNQSMUDIY-DHZHZOJOSA-N 1 2 278.286 3.296 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C\c2cccc(O)c2O)c1 ZINC000732925934 572492539 /nfs/dbraw/zinc/49/25/39/572492539.db2.gz IFTCFTAEXZFHEM-SJWFJVLYSA-N 1 2 285.343 3.157 20 30 CGEDLO COc1cccc(/C=[NH+]\[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC000741465916 572501098 /nfs/dbraw/zinc/50/10/98/572501098.db2.gz ZJJAZWYYVNHZBS-PYNDNQFYSA-N 1 2 281.355 3.451 20 30 CGEDLO C[C@@H]1CCC[C@@H](CC/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000734366584 572649759 /nfs/dbraw/zinc/64/97/59/572649759.db2.gz YEPGRNSETUVRTD-VGZAMENASA-N 1 2 277.364 3.439 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1cccc(C#N)c1 ZINC000743497403 572666926 /nfs/dbraw/zinc/66/69/26/572666926.db2.gz YKJKNNBFSDFXGJ-LLVKDONJSA-N 1 2 297.314 3.023 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)C#N ZINC000735308307 572714179 /nfs/dbraw/zinc/71/41/79/572714179.db2.gz GODPBUVORRSXLR-LBPRGKRZSA-N 1 2 291.782 3.224 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)C#N ZINC000735308307 572714181 /nfs/dbraw/zinc/71/41/81/572714181.db2.gz GODPBUVORRSXLR-LBPRGKRZSA-N 1 2 291.782 3.224 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\[C@@H](C)CCc1cccn1C ZINC000741845838 572720174 /nfs/dbraw/zinc/72/01/74/572720174.db2.gz WZUOMIGEQLWQOK-CYUIRQCWSA-N 1 2 286.375 3.180 20 30 CGEDLO Clc1nc(N2CCCC2)sc1C=[NH+]NC1CCCC1 ZINC000735971607 572755275 /nfs/dbraw/zinc/75/52/75/572755275.db2.gz NNGIKJVXOXQFJE-UHFFFAOYSA-N 1 2 298.843 3.263 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2(CC)CCOCC2)c1O ZINC000745977261 572845784 /nfs/dbraw/zinc/84/57/84/572845784.db2.gz TXTRJHLRNDFKEF-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(CC)CCOCC2)c1 ZINC000745976197 572846126 /nfs/dbraw/zinc/84/61/26/572846126.db2.gz HBYDYIJVHJCEEM-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO CC[C@H](/[NH+]=C\c1cccc(OC)c1O)C1CCOCC1 ZINC000746392619 572868406 /nfs/dbraw/zinc/86/84/06/572868406.db2.gz FCPRLCHFSFXXDR-FMNVXAMXSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc2ccccc2nc1Cl ZINC000746457831 572872882 /nfs/dbraw/zinc/87/28/82/572872882.db2.gz RJYFAMJDZDXOGS-UHFFFAOYSA-N 1 2 258.752 3.343 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc2ccccc2nc1Cl ZINC000746457831 572872886 /nfs/dbraw/zinc/87/28/86/572872886.db2.gz RJYFAMJDZDXOGS-UHFFFAOYSA-N 1 2 258.752 3.343 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000746457629 572872921 /nfs/dbraw/zinc/87/29/21/572872921.db2.gz NRCPNSDLAPRWAN-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C#CC[N@H+](CC)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000746457629 572872925 /nfs/dbraw/zinc/87/29/25/572872925.db2.gz NRCPNSDLAPRWAN-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H](C)Cc2ccncc2)c(O)c1 ZINC000749844588 573045489 /nfs/dbraw/zinc/04/54/89/573045489.db2.gz KVFFGBAHUHOFQC-QXGSTRBFSA-N 1 2 284.359 3.236 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922287 613375383 /nfs/dbraw/zinc/37/53/83/613375383.db2.gz UROINZQZWWFZMA-RISCZKNCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922287 613375384 /nfs/dbraw/zinc/37/53/84/613375384.db2.gz UROINZQZWWFZMA-RISCZKNCSA-N 1 2 298.858 3.002 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccnc3cc(Cl)ccc32)cn1 ZINC000807943553 617970864 /nfs/dbraw/zinc/97/08/64/617970864.db2.gz WTMQVBASEJMORN-UHFFFAOYSA-N 1 2 297.749 3.311 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000892022025 618492301 /nfs/dbraw/zinc/49/23/01/618492301.db2.gz RJODQJKGVPAZSY-QGZVFWFLSA-N 1 2 298.411 3.367 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000892022025 618492308 /nfs/dbraw/zinc/49/23/08/618492308.db2.gz RJODQJKGVPAZSY-QGZVFWFLSA-N 1 2 298.411 3.367 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051400911 618565944 /nfs/dbraw/zinc/56/59/44/618565944.db2.gz FGYYDVJGKGHBJZ-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051400911 618565951 /nfs/dbraw/zinc/56/59/51/618565951.db2.gz FGYYDVJGKGHBJZ-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472809 618628223 /nfs/dbraw/zinc/62/82/23/618628223.db2.gz VGRCOAVEKMXJMQ-CMPLNLGQSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472809 618628224 /nfs/dbraw/zinc/62/82/24/618628224.db2.gz VGRCOAVEKMXJMQ-CMPLNLGQSA-N 1 2 296.773 3.457 20 30 CGEDLO C#CCSCCNc1[nH+]c2ccccc2cc1C ZINC000225357726 618709957 /nfs/dbraw/zinc/70/99/57/618709957.db2.gz ZKWIBMQJZAXADS-UHFFFAOYSA-N 1 2 256.374 3.322 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Cl)nc1 ZINC000179414686 618783347 /nfs/dbraw/zinc/78/33/47/618783347.db2.gz IXWCDTDWFXSPAI-AATRIKPKSA-N 1 2 283.718 3.279 20 30 CGEDLO CC(C)n1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)cn1 ZINC000255778039 618792061 /nfs/dbraw/zinc/79/20/61/618792061.db2.gz WLDVLFSHEQFYCD-SREVYHEPSA-N 1 2 280.331 3.008 20 30 CGEDLO CCOC(=O)CCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255849434 618804658 /nfs/dbraw/zinc/80/46/58/618804658.db2.gz ULANNIUBJCZJNB-PDGQHHTCSA-N 1 2 285.343 3.308 20 30 CGEDLO C=C1CCC(C(=O)OCc2cccc3[nH+]ccn32)CC1 ZINC000892868338 618945876 /nfs/dbraw/zinc/94/58/76/618945876.db2.gz OFKQVURBYYEQJI-UHFFFAOYSA-N 1 2 270.332 3.124 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000892912517 618952267 /nfs/dbraw/zinc/95/22/67/618952267.db2.gz VASUGJLXCDYCKN-CXAGYDPISA-N 1 2 298.365 3.290 20 30 CGEDLO C=C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775682359 619091406 /nfs/dbraw/zinc/09/14/06/619091406.db2.gz WKPOOUDRDUPXLZ-UHFFFAOYSA-N 1 2 255.720 3.337 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894007896 619349074 /nfs/dbraw/zinc/34/90/74/619349074.db2.gz IPJSOQNJJUXNCL-ZIAGYGMSSA-N 1 2 282.391 3.021 20 30 CGEDLO CC[C@H]([NH2+]CC1CCSCC1)c1cccc(C#N)c1O ZINC000925050974 619511084 /nfs/dbraw/zinc/51/10/84/619511084.db2.gz HBYQDXSOTKVPLD-HNNXBMFYSA-N 1 2 290.432 3.448 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ocnc1C ZINC000894748253 619620026 /nfs/dbraw/zinc/62/00/26/619620026.db2.gz KXJMZVLWTBLIFS-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ocnc1C ZINC000894748253 619620027 /nfs/dbraw/zinc/62/00/27/619620027.db2.gz KXJMZVLWTBLIFS-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO CCNc1cc(CNc2nc(Cl)c(C#N)s2)cc[nH+]1 ZINC000894872887 619661344 /nfs/dbraw/zinc/66/13/44/619661344.db2.gz LLPDWTPNHLNVGP-UHFFFAOYSA-N 1 2 293.783 3.107 20 30 CGEDLO CC[C@H]([NH2+]CCCCSC)c1cccc(C#N)c1O ZINC000925100741 619680831 /nfs/dbraw/zinc/68/08/31/619680831.db2.gz WFSTYOREAJBDRH-AWEZNQCLSA-N 1 2 278.421 3.448 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000895835780 619895216 /nfs/dbraw/zinc/89/52/16/619895216.db2.gz ORGJVFNBYPTEPH-UHFFFAOYSA-N 1 2 285.309 3.007 20 30 CGEDLO CC1(C)CCc2onc(C[NH2+]CC#Cc3ccccc3)c2C1 ZINC000895935957 619911676 /nfs/dbraw/zinc/91/16/76/619911676.db2.gz MIOKVAJDDLLRTR-UHFFFAOYSA-N 1 2 294.398 3.331 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c2c(n1)CCCC2 ZINC000896500288 620017479 /nfs/dbraw/zinc/01/74/79/620017479.db2.gz CHJZHMCRBAMKSV-AWEZNQCLSA-N 1 2 269.392 3.004 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c2c(n1)CCCC2 ZINC000896500288 620017482 /nfs/dbraw/zinc/01/74/82/620017482.db2.gz CHJZHMCRBAMKSV-AWEZNQCLSA-N 1 2 269.392 3.004 20 30 CGEDLO Cc1nc(N2CCC(c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000896865011 620080119 /nfs/dbraw/zinc/08/01/19/620080119.db2.gz QICSTBKKHHRELS-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1F ZINC000026256644 620337876 /nfs/dbraw/zinc/33/78/76/620337876.db2.gz MUEYVSCFFBVYSX-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1F ZINC000026256644 620337877 /nfs/dbraw/zinc/33/78/77/620337877.db2.gz MUEYVSCFFBVYSX-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cc1coc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000897596239 620405975 /nfs/dbraw/zinc/40/59/75/620405975.db2.gz OEPARJQEJVHXCM-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1coc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000897596239 620405976 /nfs/dbraw/zinc/40/59/76/620405976.db2.gz OEPARJQEJVHXCM-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000899193036 620624349 /nfs/dbraw/zinc/62/43/49/620624349.db2.gz OLVLYXNZZQFJMR-UHFFFAOYSA-N 1 2 277.412 3.035 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2c(O)cccc2C1=O ZINC000901476732 620891883 /nfs/dbraw/zinc/89/18/83/620891883.db2.gz HHTGPRKNBGXQMG-XYOKQWHBSA-N 1 2 282.343 3.382 20 30 CGEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C)CO2 ZINC000901464601 620895203 /nfs/dbraw/zinc/89/52/03/620895203.db2.gz KVSCNTBFMHRLCZ-MLPAPPSSSA-N 1 2 282.343 3.202 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2sccc2C1=O ZINC000901467423 620896029 /nfs/dbraw/zinc/89/60/29/620896029.db2.gz HLZAOZKYZZSWJN-YFHOEESVSA-N 1 2 258.346 3.177 20 30 CGEDLO Cc1[nH]c(/C=C2/CCc3ccc(F)cc3C2=O)[nH+]c1C ZINC000901488408 620898155 /nfs/dbraw/zinc/89/81/55/620898155.db2.gz FMHKQBLPYCXNKL-GHXNOFRVSA-N 1 2 270.307 3.378 20 30 CGEDLO C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cccc(C#N)c1O ZINC000903429833 621742606 /nfs/dbraw/zinc/74/26/06/621742606.db2.gz SSCHMVIRCSVYTD-PXAZEXFGSA-N 1 2 293.370 3.461 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCOC(C)C)c1 ZINC000060803474 623072641 /nfs/dbraw/zinc/07/26/41/623072641.db2.gz PXRFZQVIMGFWOG-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO C#CC[N@@H+](Cc1noc(-c2ccccc2C)n1)C1CCCC1 ZINC000152333453 623643419 /nfs/dbraw/zinc/64/34/19/623643419.db2.gz FUKFTERCMQAVFK-UHFFFAOYSA-N 1 2 295.386 3.423 20 30 CGEDLO C#CC[N@H+](Cc1noc(-c2ccccc2C)n1)C1CCCC1 ZINC000152333453 623643423 /nfs/dbraw/zinc/64/34/23/623643423.db2.gz FUKFTERCMQAVFK-UHFFFAOYSA-N 1 2 295.386 3.423 20 30 CGEDLO CC(=[NH+]Nc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000915915417 624075387 /nfs/dbraw/zinc/07/53/87/624075387.db2.gz GYDZVTQLIPMZJT-UHFFFAOYSA-N 1 2 293.374 3.465 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1cccc(Br)n1 ZINC000925438356 624266828 /nfs/dbraw/zinc/26/68/28/624266828.db2.gz XPCIOMKVKAONLV-MRVPVSSYSA-N 1 2 275.577 3.247 20 30 CGEDLO CC[N@@H+](Cc1cc(C)nc(Cl)c1)C[C@@H](C)C#N ZINC000320856036 625977095 /nfs/dbraw/zinc/97/70/95/625977095.db2.gz KCJVJMJANFUNNB-JTQLQIEISA-N 1 2 251.761 3.025 20 30 CGEDLO CC[N@H+](Cc1cc(C)nc(Cl)c1)C[C@@H](C)C#N ZINC000320856036 625977098 /nfs/dbraw/zinc/97/70/98/625977098.db2.gz KCJVJMJANFUNNB-JTQLQIEISA-N 1 2 251.761 3.025 20 30 CGEDLO CC(Cc1ccccc1C)=[NH+]n1cc(Br)cn1 ZINC000752743352 626437044 /nfs/dbraw/zinc/43/70/44/626437044.db2.gz RSWMJNMLEOPTHP-UHFFFAOYSA-N 1 2 292.180 3.421 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Cl)cc2)s1 ZINC000755462100 626624260 /nfs/dbraw/zinc/62/42/60/626624260.db2.gz NHDWNJFUPMPTAV-UHFFFAOYSA-N 1 2 280.784 3.309 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2cccc(Cl)c2)s1 ZINC000755471425 626624898 /nfs/dbraw/zinc/62/48/98/626624898.db2.gz ILKSFGLYWAZIMR-UHFFFAOYSA-N 1 2 280.784 3.309 20 30 CGEDLO CC(=[NH+]O[C@H]1CCCCO1)c1ccc(F)cc1N(C)C ZINC000755824910 626651911 /nfs/dbraw/zinc/65/19/11/626651911.db2.gz ZZVLWIQFYABICE-HNNXBMFYSA-N 1 2 280.343 3.159 20 30 CGEDLO Cc1ccnc(N=NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000755901320 626657419 /nfs/dbraw/zinc/65/74/19/626657419.db2.gz DVZFXKXPEPVDQI-UHFFFAOYSA-N 1 2 277.331 3.022 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055839 627011238 /nfs/dbraw/zinc/01/12/38/627011238.db2.gz NIHWTFOGEBYOAW-NSHDSACASA-N 1 2 272.245 3.082 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761055839 627011239 /nfs/dbraw/zinc/01/12/39/627011239.db2.gz NIHWTFOGEBYOAW-NSHDSACASA-N 1 2 272.245 3.082 20 30 CGEDLO Cc1ccc(OC(F)F)c(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000762606157 627117574 /nfs/dbraw/zinc/11/75/74/627117574.db2.gz WJQVUIXYVNLWLH-HWKANZROSA-N 1 2 278.258 3.216 20 30 CGEDLO NC(=[NH+]OC/C(Cl)=C\Cl)c1ccc(Cl)cc1 ZINC000763171777 627143645 /nfs/dbraw/zinc/14/36/45/627143645.db2.gz OYPIAOXCVOBVSE-WEVVVXLNSA-N 1 2 279.554 3.296 20 30 CGEDLO COc1ccsc1C=NNc1cc[nH+]c2ccccc12 ZINC000764687546 627218606 /nfs/dbraw/zinc/21/86/06/627218606.db2.gz RZAMZZXUFWFINH-UHFFFAOYSA-N 1 2 283.356 3.173 20 30 CGEDLO C#CCCN(Cc1c[nH+]c2c(C)cccn12)CC(F)(F)F ZINC000768533075 627484732 /nfs/dbraw/zinc/48/47/32/627484732.db2.gz AXSDTAUBCQSXJZ-UHFFFAOYSA-N 1 2 295.308 3.030 20 30 CGEDLO CC[N@@H+](Cc1cnc(Cl)c(C)c1)C[C@@H](C)C#N ZINC000768880123 627505883 /nfs/dbraw/zinc/50/58/83/627505883.db2.gz BYYPAIVAONSKIU-JTQLQIEISA-N 1 2 251.761 3.025 20 30 CGEDLO CC[N@H+](Cc1cnc(Cl)c(C)c1)C[C@@H](C)C#N ZINC000768880123 627505887 /nfs/dbraw/zinc/50/58/87/627505887.db2.gz BYYPAIVAONSKIU-JTQLQIEISA-N 1 2 251.761 3.025 20 30 CGEDLO CCc1nc2ccccc2n1N=Cc1cccc2[nH+]ccn21 ZINC000771099648 627683263 /nfs/dbraw/zinc/68/32/63/627683263.db2.gz YAMYDOIPNVXQSB-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000775341373 628083774 /nfs/dbraw/zinc/08/37/74/628083774.db2.gz MAMHQOGWTVWOLL-CVEARBPZSA-N 1 2 298.411 3.081 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2([C@H](O)C(C)C)CC2)c(O)c1 ZINC000775632283 628117068 /nfs/dbraw/zinc/11/70/68/628117068.db2.gz XLDDBIGNPIHSQL-VHWUNXFSSA-N 1 2 291.391 3.007 20 30 CGEDLO C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1F ZINC000777965530 628316525 /nfs/dbraw/zinc/31/65/25/628316525.db2.gz ACMVDZSFBJNYSE-CZUORRHYSA-N 1 2 298.365 3.059 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1F ZINC000777965530 628316530 /nfs/dbraw/zinc/31/65/30/628316530.db2.gz ACMVDZSFBJNYSE-CZUORRHYSA-N 1 2 298.365 3.059 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1nc(C2CCC2)n(C)c1=S ZINC000781563190 628572408 /nfs/dbraw/zinc/57/24/08/628572408.db2.gz FDEPOXHXYRSAPA-UHFFFAOYSA-N 1 2 280.441 3.074 20 30 CGEDLO C=CCCC[N@H+](C)Cn1nc(C2CCC2)n(C)c1=S ZINC000781563190 628572412 /nfs/dbraw/zinc/57/24/12/628572412.db2.gz FDEPOXHXYRSAPA-UHFFFAOYSA-N 1 2 280.441 3.074 20 30 CGEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccc(N)cc1Cl ZINC000782906670 628666951 /nfs/dbraw/zinc/66/69/51/628666951.db2.gz NWDZHLPINRSADY-UHFFFAOYSA-N 1 2 295.173 3.229 20 30 CGEDLO CC(C)(C#N)CCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783150696 628681575 /nfs/dbraw/zinc/68/15/75/628681575.db2.gz DYORHUGYWHEIOR-UHFFFAOYSA-N 1 2 277.343 3.197 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000783683891 628739866 /nfs/dbraw/zinc/73/98/66/628739866.db2.gz BKDQAUWWVMIYCU-XNMUIVTDSA-N 1 2 291.391 3.415 20 30 CGEDLO C(=Nn1cnc2ccccc21)c1cc(-n2cc[nH+]c2)cs1 ZINC000783822238 628749380 /nfs/dbraw/zinc/74/93/80/628749380.db2.gz SWQRSTZRRIXNJC-UHFFFAOYSA-N 1 2 293.355 3.166 20 30 CGEDLO N#Cc1ccc(CO[NH+]=C(N)c2ccccc2)c(Cl)c1 ZINC000783984593 628762834 /nfs/dbraw/zinc/76/28/34/628762834.db2.gz NLWMAVUAIZHVTQ-UHFFFAOYSA-N 1 2 285.734 3.258 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C)CC(C)(C)C2)c1=S ZINC000784009098 628764511 /nfs/dbraw/zinc/76/45/11/628764511.db2.gz PZLOFHSXNCAJRC-LBPRGKRZSA-N 1 2 294.468 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1=S ZINC000784009098 628764513 /nfs/dbraw/zinc/76/45/13/628764513.db2.gz PZLOFHSXNCAJRC-LBPRGKRZSA-N 1 2 294.468 3.234 20 30 CGEDLO COCC(=NNc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000790161247 629187895 /nfs/dbraw/zinc/18/78/95/629187895.db2.gz DDQANSSKDLSWMG-UHFFFAOYSA-N 1 2 291.354 3.119 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c(F)c1 ZINC000119115193 629439549 /nfs/dbraw/zinc/43/95/49/629439549.db2.gz FJEGMLDQUQQGNZ-VMPITWQZSA-N 1 2 296.301 3.378 20 30 CGEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000794714143 629570377 /nfs/dbraw/zinc/57/03/77/629570377.db2.gz BMAGGMFNVYBHCI-NSHDSACASA-N 1 2 283.306 3.095 20 30 CGEDLO N#Cc1cc(Cl)cc(-c2c[nH+]c3n2CCCC3)c1 ZINC000863979623 629718601 /nfs/dbraw/zinc/71/86/01/629718601.db2.gz LCHOBSRXHBOQJS-UHFFFAOYSA-N 1 2 257.724 3.411 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)nc1 ZINC000796948051 629863959 /nfs/dbraw/zinc/86/39/59/629863959.db2.gz MEELAXGZJQLBKR-MRXNPFEDSA-N 1 2 295.390 3.088 20 30 CGEDLO Cc1ccc2c(N[NH2+][C@H]3CCOC(C)(C)C3)csc2c1 ZINC000797786188 629982444 /nfs/dbraw/zinc/98/24/44/629982444.db2.gz KGGWXVSQHTWLMV-LBPRGKRZSA-N 1 2 290.432 3.352 20 30 CGEDLO C#CCC[C@H](O)CNc1cc[nH+]c2c(OCCC)cccc12 ZINC000798418935 630055397 /nfs/dbraw/zinc/05/53/97/630055397.db2.gz TYJZZZBKIKYSOW-AWEZNQCLSA-N 1 2 298.386 3.210 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCSCC)c1 ZINC000800721412 630295497 /nfs/dbraw/zinc/29/54/97/630295497.db2.gz MLERXRWRWQALGI-RVDMUPIBSA-N 1 2 267.394 3.353 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1c(Cl)ncnc1N(C)C ZINC000801517213 630340431 /nfs/dbraw/zinc/34/04/31/630340431.db2.gz BPEPILIFQYNBAH-UHFFFAOYSA-N 1 2 296.846 3.374 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1c(Cl)ncnc1N(C)C ZINC000801517213 630340432 /nfs/dbraw/zinc/34/04/32/630340432.db2.gz BPEPILIFQYNBAH-UHFFFAOYSA-N 1 2 296.846 3.374 20 30 CGEDLO C#CC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589531 630345798 /nfs/dbraw/zinc/34/57/98/630345798.db2.gz RFMFLZSDAIETDC-CYBMUJFWSA-N 1 2 271.257 3.209 20 30 CGEDLO C#CC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589531 630345801 /nfs/dbraw/zinc/34/58/01/630345801.db2.gz RFMFLZSDAIETDC-CYBMUJFWSA-N 1 2 271.257 3.209 20 30 CGEDLO C#CCCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806141500 630547908 /nfs/dbraw/zinc/54/79/08/630547908.db2.gz KEBCQBLRRPHTPM-CYBMUJFWSA-N 1 2 251.757 3.500 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccc(Cl)cc2Cl)cn1 ZINC000807952694 630608215 /nfs/dbraw/zinc/60/82/15/630608215.db2.gz JKNCWGNRHBXHIT-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989759 630825506 /nfs/dbraw/zinc/82/55/06/630825506.db2.gz FXKFPNOACCWLEX-MRVPVSSYSA-N 1 2 287.146 3.355 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989759 630825509 /nfs/dbraw/zinc/82/55/09/630825509.db2.gz FXKFPNOACCWLEX-MRVPVSSYSA-N 1 2 287.146 3.355 20 30 CGEDLO C=CCCCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811009995 631001460 /nfs/dbraw/zinc/00/14/60/631001460.db2.gz FIZCMOGITASKDE-UHFFFAOYSA-N 1 2 298.386 3.373 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)cc1)c1csc(N)n1 ZINC000812370952 631241506 /nfs/dbraw/zinc/24/15/06/631241506.db2.gz XVTMESBCBWMXSE-UHFFFAOYSA-N 1 2 266.757 3.215 20 30 CGEDLO C=C(Br)C[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848673 631325028 /nfs/dbraw/zinc/32/50/28/631325028.db2.gz KYKZPWSIANHHFE-GXTWGEPZSA-N 1 2 298.224 3.339 20 30 CGEDLO C=C(Br)C[N@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848673 631325031 /nfs/dbraw/zinc/32/50/31/631325031.db2.gz KYKZPWSIANHHFE-GXTWGEPZSA-N 1 2 298.224 3.339 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000814670452 631619262 /nfs/dbraw/zinc/61/92/62/631619262.db2.gz STRROHOWSHSJPF-UHFFFAOYSA-N 1 2 281.743 3.230 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000814670452 631619265 /nfs/dbraw/zinc/61/92/65/631619265.db2.gz STRROHOWSHSJPF-UHFFFAOYSA-N 1 2 281.743 3.230 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1N[NH2+]C=CC(F)(F)F ZINC000817328938 632122450 /nfs/dbraw/zinc/12/24/50/632122450.db2.gz POFWLRUBBWQAKS-UHFFFAOYSA-N 1 2 261.203 3.253 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(C#N)c1O ZINC000866258796 633048207 /nfs/dbraw/zinc/04/82/07/633048207.db2.gz AZUCQHPVROBWTJ-QWHCGFSZSA-N 1 2 296.370 3.251 20 30 CGEDLO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866274793 633058600 /nfs/dbraw/zinc/05/86/00/633058600.db2.gz TZHPLDMOMAQSNI-KGYLQXTDSA-N 1 2 276.405 3.199 20 30 CGEDLO COC1CCC(C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866281042 633063567 /nfs/dbraw/zinc/06/35/67/633063567.db2.gz DPACPFDAKBUXPA-DNOWBOINSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866288839 633067035 /nfs/dbraw/zinc/06/70/35/633067035.db2.gz PHXAYBXOFMYUJI-QWHCGFSZSA-N 1 2 281.359 3.379 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1O ZINC000866338153 633085962 /nfs/dbraw/zinc/08/59/62/633085962.db2.gz YAXSXAJONRUAJE-RISCZKNCSA-N 1 2 288.391 3.261 20 30 CGEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1nccs1 ZINC000866337990 633086258 /nfs/dbraw/zinc/08/62/58/633086258.db2.gz NHLZBSATYKINOF-MNOVXSKESA-N 1 2 287.388 3.175 20 30 CGEDLO CCSCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866352329 633094129 /nfs/dbraw/zinc/09/41/29/633094129.db2.gz IOPJHNDWYQAOJL-NSHDSACASA-N 1 2 264.394 3.058 20 30 CGEDLO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866370539 633106809 /nfs/dbraw/zinc/10/68/09/633106809.db2.gz XSIGFUQVEJWAFT-DAXOMENPSA-N 1 2 288.391 3.262 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826862107 633438824 /nfs/dbraw/zinc/43/88/24/633438824.db2.gz UZSLRDZHLLMTDV-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826862107 633438825 /nfs/dbraw/zinc/43/88/25/633438825.db2.gz UZSLRDZHLLMTDV-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO Fc1ccc(N[NH2+]C=C2CC2(F)F)c(F)c1F ZINC000834983353 634303575 /nfs/dbraw/zinc/30/35/75/634303575.db2.gz WQJPVPMKFUYIKJ-RXMQYKEDSA-N 1 2 250.170 3.157 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@H]2CCOC(C)(C)C2)c1O ZINC000840710352 635038611 /nfs/dbraw/zinc/03/86/11/635038611.db2.gz QGWPEVLHFIZDSH-UEMWTREESA-N 1 2 277.364 3.025 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC(C)(C)C(C)(C)O)c1 ZINC000840711656 635040006 /nfs/dbraw/zinc/04/00/06/635040006.db2.gz YIXDGSQUEANLIX-YVLHZVERSA-N 1 2 279.380 3.007 20 30 CGEDLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877536555 635077452 /nfs/dbraw/zinc/07/74/52/635077452.db2.gz URNFTVQLTQMLQF-BONVTDFDSA-N 1 2 299.761 3.218 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000877549316 635084581 /nfs/dbraw/zinc/08/45/81/635084581.db2.gz BUMPBGJJSYGPIU-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000877549316 635084588 /nfs/dbraw/zinc/08/45/88/635084588.db2.gz BUMPBGJJSYGPIU-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877605711 635108456 /nfs/dbraw/zinc/10/84/56/635108456.db2.gz WMCQPHVNGOXLSG-JTQLQIEISA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877605711 635108461 /nfs/dbraw/zinc/10/84/61/635108461.db2.gz WMCQPHVNGOXLSG-JTQLQIEISA-N 1 2 254.786 3.032 20 30 CGEDLO C[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(C#N)cc1 ZINC000878355719 635472971 /nfs/dbraw/zinc/47/29/71/635472971.db2.gz MBIUDELPFVYQMZ-LBPRGKRZSA-N 1 2 281.359 3.276 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878389620 635484910 /nfs/dbraw/zinc/48/49/10/635484910.db2.gz OJCMHMGLPRGTTP-UHFFFAOYSA-N 1 2 272.270 3.424 20 30 CGEDLO C=CC[C@@H](C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000878656983 635593410 /nfs/dbraw/zinc/59/34/10/635593410.db2.gz DERARPDERIVLGI-CYBMUJFWSA-N 1 2 253.349 3.153 20 30 CGEDLO C=CC[C@@H](C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000878656983 635593414 /nfs/dbraw/zinc/59/34/14/635593414.db2.gz DERARPDERIVLGI-CYBMUJFWSA-N 1 2 253.349 3.153 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843424418 635668681 /nfs/dbraw/zinc/66/86/81/635668681.db2.gz UBHJEJFMPCRSAR-NSHDSACASA-N 1 2 281.758 3.420 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843424418 635668684 /nfs/dbraw/zinc/66/86/84/635668684.db2.gz UBHJEJFMPCRSAR-NSHDSACASA-N 1 2 281.758 3.420 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CCCn1cnc2ccccc21 ZINC000005261799 635888539 /nfs/dbraw/zinc/88/85/39/635888539.db2.gz IECZOBLSARYNCD-LDADJPATSA-N 1 2 279.343 3.251 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1C ZINC000844761328 635959673 /nfs/dbraw/zinc/95/96/73/635959673.db2.gz HNENRKDLODNHLY-UHFFFAOYSA-N 1 2 278.355 3.397 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2Cc3cccc(C#N)c3C2)cc1C ZINC000844761328 635959675 /nfs/dbraw/zinc/95/96/75/635959675.db2.gz HNENRKDLODNHLY-UHFFFAOYSA-N 1 2 278.355 3.397 20 30 CGEDLO COCC1(C/[NH+]=C/c2c(O)ccc3ccccc32)CC1 ZINC000846757363 636231361 /nfs/dbraw/zinc/23/13/61/636231361.db2.gz YADUTTVBNKPTOM-VCHYOVAHSA-N 1 2 269.344 3.391 20 30 CGEDLO CC1(C)CCC(C=NNCCCn2cc[nH+]c2)CC1 ZINC000848417651 636572485 /nfs/dbraw/zinc/57/24/85/636572485.db2.gz CKPSUEXVHOTINZ-UHFFFAOYSA-N 1 2 262.401 3.065 20 30 CGEDLO Cc1cc(N[C@H](C)c2cccc(C#N)c2O)c[nH+]c1C ZINC000883342842 636690652 /nfs/dbraw/zinc/69/06/52/636690652.db2.gz NWXOGBCEESLPMH-GFCCVEGCSA-N 1 2 267.332 3.449 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131661123 636715731 /nfs/dbraw/zinc/71/57/31/636715731.db2.gz PNVUQMXVBKDKGU-UHFFFAOYSA-N 1 2 261.108 3.090 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(F)n1 ZINC000851797660 637506986 /nfs/dbraw/zinc/50/69/86/637506986.db2.gz MAOXAUISGYJEDP-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(F)n1 ZINC000851797660 637506992 /nfs/dbraw/zinc/50/69/92/637506992.db2.gz MAOXAUISGYJEDP-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)cc1F ZINC000851925238 637546957 /nfs/dbraw/zinc/54/69/57/637546957.db2.gz VLTONYHWTFMQGA-JTQLQIEISA-N 1 2 285.322 3.414 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C)nc1Cl)[C@H](C)COC ZINC000852356382 637642638 /nfs/dbraw/zinc/64/26/38/637642638.db2.gz CQVCDPIAQADUIV-GFCCVEGCSA-N 1 2 268.788 3.066 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C)nc1Cl)[C@H](C)COC ZINC000852356382 637642641 /nfs/dbraw/zinc/64/26/41/637642641.db2.gz CQVCDPIAQADUIV-GFCCVEGCSA-N 1 2 268.788 3.066 20 30 CGEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000852573512 637682080 /nfs/dbraw/zinc/68/20/80/637682080.db2.gz MNWMCPLBVOLCMW-DOMZBBRYSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000852573512 637682085 /nfs/dbraw/zinc/68/20/85/637682085.db2.gz MNWMCPLBVOLCMW-DOMZBBRYSA-N 1 2 263.768 3.125 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCOC2(C)C)c1O ZINC000852997878 637726917 /nfs/dbraw/zinc/72/69/17/637726917.db2.gz DHDWLRDTUVMKCC-VGSSETLESA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1[nH+]cc(C=NNc2ccc(C(C)C)cc2)n1C ZINC000853355853 637823363 /nfs/dbraw/zinc/82/33/63/637823363.db2.gz LBQNSIAYYPHMSW-UHFFFAOYSA-N 1 2 256.353 3.298 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC(F)(F)F ZINC000853394709 637834060 /nfs/dbraw/zinc/83/40/60/637834060.db2.gz XDJOLXDUWLYEFM-UHFFFAOYSA-N 1 2 272.270 3.238 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc3ccccn3c2=S)C1 ZINC000853536242 637864161 /nfs/dbraw/zinc/86/41/61/637864161.db2.gz QMLJLAUFHWKPLR-ZDUSSCGKSA-N 1 2 288.420 3.111 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc3ccccn3c2=S)C1 ZINC000853536242 637864166 /nfs/dbraw/zinc/86/41/66/637864166.db2.gz QMLJLAUFHWKPLR-ZDUSSCGKSA-N 1 2 288.420 3.111 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCOC1(C)C ZINC000853966279 637966025 /nfs/dbraw/zinc/96/60/25/637966025.db2.gz RVMRSPCMIYDLAB-CQSZACIVSA-N 1 2 288.391 3.101 20 30 CGEDLO CC[C@H]([NH2+]CCc1c(C)noc1C)c1cccc(C#N)c1O ZINC000925004133 638436868 /nfs/dbraw/zinc/43/68/68/638436868.db2.gz QOGIWOAZXHFTOD-INIZCTEOSA-N 1 2 299.374 3.152 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCSC1)c1cccc(C#N)c1O ZINC000926322156 638763136 /nfs/dbraw/zinc/76/31/36/638763136.db2.gz DKVFQWSPQRWTMQ-RISCZKNCSA-N 1 2 276.405 3.058 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccc(C)cn1)c1cccc(C#N)c1O ZINC000926563619 638785528 /nfs/dbraw/zinc/78/55/28/638785528.db2.gz HNACGZFJLSIFQO-KRWDZBQOSA-N 1 2 295.386 3.251 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cccc(C#N)c1O ZINC000926603873 638790722 /nfs/dbraw/zinc/79/07/22/638790722.db2.gz KIRPTROOMLFHFL-FMKPAKJESA-N 1 2 288.391 3.262 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)o1)[C@H]1CCC[C@H]1C#N ZINC000931474287 639157741 /nfs/dbraw/zinc/15/77/41/639157741.db2.gz DTVMKQGTFUCZDA-HOCLYGCPSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@H]1CCC[C@H]1C#N ZINC000931474287 639157744 /nfs/dbraw/zinc/15/77/44/639157744.db2.gz DTVMKQGTFUCZDA-HOCLYGCPSA-N 1 2 281.359 3.466 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000932151569 639277103 /nfs/dbraw/zinc/27/71/03/639277103.db2.gz ZKLPQLGEKWEQEE-USXIJHARSA-N 1 2 270.376 3.142 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000932151569 639277106 /nfs/dbraw/zinc/27/71/06/639277106.db2.gz ZKLPQLGEKWEQEE-USXIJHARSA-N 1 2 270.376 3.142 20 30 CGEDLO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000195315673 640579062 /nfs/dbraw/zinc/57/90/62/640579062.db2.gz AXAPMWYERQJBJM-AWEZNQCLSA-N 1 2 299.418 3.374 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007398448 640942694 /nfs/dbraw/zinc/94/26/94/640942694.db2.gz COCFGNDVHWTBJL-ZBFHGGJFSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007398448 640942698 /nfs/dbraw/zinc/94/26/98/640942698.db2.gz COCFGNDVHWTBJL-ZBFHGGJFSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009268823 640957196 /nfs/dbraw/zinc/95/71/96/640957196.db2.gz KZIWKKJATOTYBJ-QEJZJMRPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009268823 640957198 /nfs/dbraw/zinc/95/71/98/640957198.db2.gz KZIWKKJATOTYBJ-QEJZJMRPSA-N 1 2 298.858 3.146 20 30 CGEDLO CCOc1nccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001250383289 805595940 /nfs/dbraw/zinc/59/59/40/805595940.db2.gz UGQQMWNFMVHUJN-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1nccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001250383289 805595944 /nfs/dbraw/zinc/59/59/44/805595944.db2.gz UGQQMWNFMVHUJN-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccccc3N)c2c1 ZINC001155982878 805636348 /nfs/dbraw/zinc/63/63/48/805636348.db2.gz IMILZTUFZUPRGI-UHFFFAOYSA-N 1 2 274.327 3.301 20 30 CGEDLO Cn1c(CNc2cc(CC#N)cc[nH+]2)cc2ccccc21 ZINC001156015622 805640717 /nfs/dbraw/zinc/64/07/17/805640717.db2.gz AJUNZLXYPRYLAC-UHFFFAOYSA-N 1 2 276.343 3.251 20 30 CGEDLO N#Cc1cc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)ccn1 ZINC001251604107 805911686 /nfs/dbraw/zinc/91/16/86/805911686.db2.gz CKPMKGAOKMFVNS-UHFFFAOYSA-N 1 2 289.342 3.097 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+]C1(C(=O)OC)CCCC1 ZINC001252136329 806021485 /nfs/dbraw/zinc/02/14/85/806021485.db2.gz OAJBNCPJYOQARQ-OAHLLOKOSA-N 1 2 299.455 3.173 20 30 CGEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558331 806064826 /nfs/dbraw/zinc/06/48/26/806064826.db2.gz TWQJDOJTUVATHI-HZPDHXFCSA-N 1 2 295.373 3.123 20 30 CGEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558331 806064837 /nfs/dbraw/zinc/06/48/37/806064837.db2.gz TWQJDOJTUVATHI-HZPDHXFCSA-N 1 2 295.373 3.123 20 30 CGEDLO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ncon1 ZINC001252979916 806145326 /nfs/dbraw/zinc/14/53/26/806145326.db2.gz PHZREEJYQTYGPT-AWEZNQCLSA-N 1 2 283.416 3.051 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1c[nH+]ccc1OC ZINC001253233085 806187186 /nfs/dbraw/zinc/18/71/86/806187186.db2.gz ZKASJZMSZKPVTF-CQSZACIVSA-N 1 2 278.396 3.390 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001253242202 806192764 /nfs/dbraw/zinc/19/27/64/806192764.db2.gz ILKJZMTXWSDEAF-OAHLLOKOSA-N 1 2 292.423 3.229 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001253242202 806192769 /nfs/dbraw/zinc/19/27/69/806192769.db2.gz ILKJZMTXWSDEAF-OAHLLOKOSA-N 1 2 292.423 3.229 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+][C@H](CCCC)C(=O)OC ZINC001253251701 806196421 /nfs/dbraw/zinc/19/64/21/806196421.db2.gz NEYXYGUDRQZGSZ-JKSUJKDBSA-N 1 2 299.455 3.195 20 30 CGEDLO CSc1nc(N[C@@H]2CCc3c2cccc3C#N)cc(C)[nH+]1 ZINC001159912365 806196523 /nfs/dbraw/zinc/19/65/23/806196523.db2.gz SASTWYOLNZHCSM-CQSZACIVSA-N 1 2 296.399 3.478 20 30 CGEDLO C=Cc1ccc(NCCOc2ccc(C#N)cc2)[nH+]c1 ZINC001160283439 806249257 /nfs/dbraw/zinc/24/92/57/806249257.db2.gz RHXDLFLBQKKTDJ-UHFFFAOYSA-N 1 2 265.316 3.087 20 30 CGEDLO C=C(C)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160350678 806259274 /nfs/dbraw/zinc/25/92/74/806259274.db2.gz OQGZWILIYRTUEN-CYBMUJFWSA-N 1 2 268.307 3.008 20 30 CGEDLO C[C@@H](Nc1cc(CC#N)cc[nH+]1)c1ccc2c(c1)OCO2 ZINC001161516001 806386935 /nfs/dbraw/zinc/38/69/35/806386935.db2.gz JVUHKIAMLIQELE-LLVKDONJSA-N 1 2 281.315 3.049 20 30 CGEDLO CC(C)(C)[NH+]1CC(Nc2nc(C#N)c(Cl)cc2Cl)C1 ZINC001162225705 806534128 /nfs/dbraw/zinc/53/41/28/806534128.db2.gz QEEGFJBQJXKBMN-UHFFFAOYSA-N 1 2 299.205 3.155 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cc(C)c(Br)cn1 ZINC001255164815 806563781 /nfs/dbraw/zinc/56/37/81/806563781.db2.gz QXDZVCXTGGMUIP-QWRGUYRKSA-N 1 2 296.212 3.495 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001255174216 806568417 /nfs/dbraw/zinc/56/84/17/806568417.db2.gz UHTOKBSGZVENDH-HOCLYGCPSA-N 1 2 290.432 3.477 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001255174216 806568425 /nfs/dbraw/zinc/56/84/25/806568425.db2.gz UHTOKBSGZVENDH-HOCLYGCPSA-N 1 2 290.432 3.477 20 30 CGEDLO N#CCc1cc[nH+]c(NC[C@@H](O)c2cc3ccccc3o2)c1 ZINC001162701822 806647783 /nfs/dbraw/zinc/64/77/83/806647783.db2.gz ZZXXUCCYTGTDRR-CQSZACIVSA-N 1 2 293.326 3.039 20 30 CGEDLO C#Cc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000037185149 798862944 /nfs/dbraw/zinc/86/29/44/798862944.db2.gz KMPCHAGOZHPSIO-UHFFFAOYSA-N 1 2 273.339 3.466 20 30 CGEDLO C[C@H](CSc1ccc(F)cc1)[N@H+](C)CCC#N ZINC001255741972 806730127 /nfs/dbraw/zinc/73/01/27/806730127.db2.gz VRVNRLQQKVVIPL-LLVKDONJSA-N 1 2 252.358 3.152 20 30 CGEDLO C[C@H](CSc1ccc(F)cc1)[N@@H+](C)CCC#N ZINC001255741972 806730129 /nfs/dbraw/zinc/73/01/29/806730129.db2.gz VRVNRLQQKVVIPL-LLVKDONJSA-N 1 2 252.358 3.152 20 30 CGEDLO O=C1C=C(Nc2ccc(F)c(-n3cc[nH+]c3)c2)CCC1 ZINC001163468842 806767367 /nfs/dbraw/zinc/76/73/67/806767367.db2.gz ZUPPDCHVZLOSAW-UHFFFAOYSA-N 1 2 271.295 3.060 20 30 CGEDLO C[C@@H]1CCC[C@@H](C)N1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163546829 806781858 /nfs/dbraw/zinc/78/18/58/806781858.db2.gz SMDANKXXOFKWAH-GHMZBOCLSA-N 1 2 254.337 3.202 20 30 CGEDLO COc1ccccc1[C@@H]1CCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001163807706 806832073 /nfs/dbraw/zinc/83/20/73/806832073.db2.gz WWBJWHNGPXRPLU-OAHLLOKOSA-N 1 2 293.370 3.150 20 30 CGEDLO C=CCC[NH+]1CC(NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001031423539 800910884 /nfs/dbraw/zinc/91/08/84/800910884.db2.gz NDLZTIHCKYOQJF-UHFFFAOYSA-N 1 2 292.448 3.036 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033185909 800955786 /nfs/dbraw/zinc/95/57/86/800955786.db2.gz WILTWDCNRSNQBI-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033185909 800955792 /nfs/dbraw/zinc/95/57/92/800955792.db2.gz WILTWDCNRSNQBI-CABCVRRESA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339584 800960436 /nfs/dbraw/zinc/96/04/36/800960436.db2.gz XPFNYPZKCCRONQ-KBPBESRZSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339584 800960438 /nfs/dbraw/zinc/96/04/38/800960438.db2.gz XPFNYPZKCCRONQ-KBPBESRZSA-N 1 2 298.858 3.098 20 30 CGEDLO C[C@]1(F)CCN(c2[nH+]ccc3ccc(C#N)cc32)C[C@H]1F ZINC001164334458 806934738 /nfs/dbraw/zinc/93/47/38/806934738.db2.gz SHDNPNVTFVNUCI-ZBFHGGJFSA-N 1 2 287.313 3.383 20 30 CGEDLO CCCC[N@H+](CC#N)[C@H]1CCc2c(cccc2OC)C1 ZINC001256653690 806941780 /nfs/dbraw/zinc/94/17/80/806941780.db2.gz FUCCFGWVFYIZMK-HNNXBMFYSA-N 1 2 272.392 3.178 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2c(cccc2OC)C1 ZINC001256653690 806941785 /nfs/dbraw/zinc/94/17/85/806941785.db2.gz FUCCFGWVFYIZMK-HNNXBMFYSA-N 1 2 272.392 3.178 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCC)C2 ZINC001110970196 802151869 /nfs/dbraw/zinc/15/18/69/802151869.db2.gz NQHRVPMDWFEZNA-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCC)C2 ZINC001110970196 802151873 /nfs/dbraw/zinc/15/18/73/802151873.db2.gz NQHRVPMDWFEZNA-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001113536507 802228078 /nfs/dbraw/zinc/22/80/78/802228078.db2.gz SVUHFSUPBLRTRL-OAHLLOKOSA-N 1 2 284.419 3.015 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001116576348 802380289 /nfs/dbraw/zinc/38/02/89/802380289.db2.gz WIECWUMIQJFFIK-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2ccc(F)cc2F)C1 ZINC001116576348 802380300 /nfs/dbraw/zinc/38/03/00/802380300.db2.gz WIECWUMIQJFFIK-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C=C(C)CCC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001120684532 802761343 /nfs/dbraw/zinc/76/13/43/802761343.db2.gz PONJQLVDPBYHAT-UHFFFAOYSA-N 1 2 283.375 3.023 20 30 CGEDLO CCn1c[nH+]cc1COC(=O)C[C@H](CC#N)c1ccccc1 ZINC001123376108 802938511 /nfs/dbraw/zinc/93/85/11/802938511.db2.gz BPRVRTXRKJRIOV-HNNXBMFYSA-N 1 2 297.358 3.034 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2ccncc2C#N)c1 ZINC001244335539 803311623 /nfs/dbraw/zinc/31/16/23/803311623.db2.gz FPDASYNEAPYXRI-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO CCCCCCc1ccc(CN2CC[NH2+]C[C@@H]2C#N)s1 ZINC001210195918 814332818 /nfs/dbraw/zinc/33/28/18/814332818.db2.gz LMVXMVKVEVRQLO-AWEZNQCLSA-N 1 2 291.464 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132225498 803382409 /nfs/dbraw/zinc/38/24/09/803382409.db2.gz XWPSHKAZZUOIJR-LSDHHAIUSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132225498 803382415 /nfs/dbraw/zinc/38/24/15/803382415.db2.gz XWPSHKAZZUOIJR-LSDHHAIUSA-N 1 2 298.858 3.454 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001137938976 803802365 /nfs/dbraw/zinc/80/23/65/803802365.db2.gz CGEKMEFFJVDGLB-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001137938976 803802371 /nfs/dbraw/zinc/80/23/71/803802371.db2.gz CGEKMEFFJVDGLB-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001137991264 803815897 /nfs/dbraw/zinc/81/58/97/803815897.db2.gz BSOPXTWTOJQOCV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001137991264 803815907 /nfs/dbraw/zinc/81/59/07/803815907.db2.gz BSOPXTWTOJQOCV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(F)c(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001137995160 803817523 /nfs/dbraw/zinc/81/75/23/803817523.db2.gz URIPIGUZCCBYMB-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO COc1ccc(F)c(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001137995160 803817533 /nfs/dbraw/zinc/81/75/33/803817533.db2.gz URIPIGUZCCBYMB-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138005367 803820262 /nfs/dbraw/zinc/82/02/62/803820262.db2.gz ZFDKYQMTNQDIGP-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138005367 803820271 /nfs/dbraw/zinc/82/02/71/803820271.db2.gz ZFDKYQMTNQDIGP-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO Cc1ccc(C#N)c(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001245601148 803845849 /nfs/dbraw/zinc/84/58/49/803845849.db2.gz JRDOLCWDNALDRC-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1ccc(NC(=S)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001245888065 804015238 /nfs/dbraw/zinc/01/52/38/804015238.db2.gz OWAAIMNNUQNBDA-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(F)cc2OC(C)C)cc[nH+]1 ZINC001212220278 814992792 /nfs/dbraw/zinc/99/27/92/814992792.db2.gz JOCWZPNTKLLOKJ-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO C[N@H+](CCF)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139429111 804189137 /nfs/dbraw/zinc/18/91/37/804189137.db2.gz PILAIBILLZSCTN-UHFFFAOYSA-N 1 2 285.322 3.147 20 30 CGEDLO C[N@@H+](CCF)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139429111 804189141 /nfs/dbraw/zinc/18/91/41/804189141.db2.gz PILAIBILLZSCTN-UHFFFAOYSA-N 1 2 285.322 3.147 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1C#N ZINC001139722794 804267851 /nfs/dbraw/zinc/26/78/51/804267851.db2.gz GLIDKYRSVHNXQX-CABCVRRESA-N 1 2 264.319 3.139 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cc1C#N ZINC001139722794 804267858 /nfs/dbraw/zinc/26/78/58/804267858.db2.gz GLIDKYRSVHNXQX-CABCVRRESA-N 1 2 264.319 3.139 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC001139875473 804306213 /nfs/dbraw/zinc/30/62/13/804306213.db2.gz PWSHUXKGWNVLIJ-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC001139875473 804306221 /nfs/dbraw/zinc/30/62/21/804306221.db2.gz PWSHUXKGWNVLIJ-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891814 804317363 /nfs/dbraw/zinc/31/73/63/804317363.db2.gz GMCCYPVDTIIHCA-GFCCVEGCSA-N 1 2 254.308 3.324 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891814 804317372 /nfs/dbraw/zinc/31/73/72/804317372.db2.gz GMCCYPVDTIIHCA-GFCCVEGCSA-N 1 2 254.308 3.324 20 30 CGEDLO N#Cc1ccc(Cl)c(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC001140599946 804471778 /nfs/dbraw/zinc/47/17/78/804471778.db2.gz XKOWYYFGBVFTCC-UHFFFAOYSA-N 1 2 282.721 3.443 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2F)C1 ZINC001140702242 804491351 /nfs/dbraw/zinc/49/13/51/804491351.db2.gz KOOFUDACOVIIBK-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2F)C1 ZINC001140702242 804491355 /nfs/dbraw/zinc/49/13/55/804491355.db2.gz KOOFUDACOVIIBK-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001141611634 804657713 /nfs/dbraw/zinc/65/77/13/804657713.db2.gz GFNUGXJBAUHQAI-CQSZACIVSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001141611634 804657716 /nfs/dbraw/zinc/65/77/16/804657716.db2.gz GFNUGXJBAUHQAI-CQSZACIVSA-N 1 2 298.308 3.450 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1F ZINC001143276875 804830948 /nfs/dbraw/zinc/83/09/48/804830948.db2.gz WYIRINVCLONYFL-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1F ZINC001143276875 804830955 /nfs/dbraw/zinc/83/09/55/804830955.db2.gz WYIRINVCLONYFL-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1C(F)(F)F ZINC001143352418 804836658 /nfs/dbraw/zinc/83/66/58/804836658.db2.gz TZTVTYAPJVMLMR-AWEZNQCLSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1C(F)(F)F ZINC001143352418 804836665 /nfs/dbraw/zinc/83/66/65/804836665.db2.gz TZTVTYAPJVMLMR-AWEZNQCLSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1c(F)cccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001143521959 804861021 /nfs/dbraw/zinc/86/10/21/804861021.db2.gz MTYXXSDYOWWHSC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1c(F)cccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001143521959 804861029 /nfs/dbraw/zinc/86/10/29/804861029.db2.gz MTYXXSDYOWWHSC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001144031010 804929790 /nfs/dbraw/zinc/92/97/90/804929790.db2.gz WOUSVUQXLHRWGG-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1c(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001144031010 804929797 /nfs/dbraw/zinc/92/97/97/804929797.db2.gz WOUSVUQXLHRWGG-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cccc(-c2ccc(Cl)cc2)n1 ZINC001248520206 804940637 /nfs/dbraw/zinc/94/06/37/804940637.db2.gz LVUHIBNYUAYSNN-UHFFFAOYSA-N 1 2 294.785 3.470 20 30 CGEDLO N#CCC[N@@H+](Cc1[nH]nc2ccc(F)cc21)C1CCCC1 ZINC001144196515 804953579 /nfs/dbraw/zinc/95/35/79/804953579.db2.gz JYDGLZAWRCHQOQ-UHFFFAOYSA-N 1 2 286.354 3.360 20 30 CGEDLO N#CCC[N@H+](Cc1[nH]nc2ccc(F)cc21)C1CCCC1 ZINC001144196515 804953582 /nfs/dbraw/zinc/95/35/82/804953582.db2.gz JYDGLZAWRCHQOQ-UHFFFAOYSA-N 1 2 286.354 3.360 20 30 CGEDLO COc1ccc2c(OC)ccc(C[N@@H+]3CC[C@@H](C#N)C3)c2c1 ZINC001248828195 805009308 /nfs/dbraw/zinc/00/93/08/805009308.db2.gz FRSXOIRZXQGMSL-ZDUSSCGKSA-N 1 2 296.370 3.202 20 30 CGEDLO COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@H](C#N)C3)c2c1 ZINC001248828195 805009319 /nfs/dbraw/zinc/00/93/19/805009319.db2.gz FRSXOIRZXQGMSL-ZDUSSCGKSA-N 1 2 296.370 3.202 20 30 CGEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)ccc1Cl ZINC001248876797 805027277 /nfs/dbraw/zinc/02/72/77/805027277.db2.gz SZDCQBOVEGKOGJ-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249292942 805127448 /nfs/dbraw/zinc/12/74/48/805127448.db2.gz UCMOPQHSJQZBEL-CYBMUJFWSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249292942 805127452 /nfs/dbraw/zinc/12/74/52/805127452.db2.gz UCMOPQHSJQZBEL-CYBMUJFWSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@@]1(O)CC[C@@H](Nc2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001154951570 805513020 /nfs/dbraw/zinc/51/30/20/805513020.db2.gz LCJMTPGAVAEULX-CZIWCDLHSA-N 1 2 281.359 3.212 20 30 CGEDLO Cn1cccc1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155212910 805559738 /nfs/dbraw/zinc/55/97/38/805559738.db2.gz ZWGRVOQTCQVNFU-UHFFFAOYSA-N 1 2 262.316 3.057 20 30 CGEDLO C#CC[C@H]([NH2+]C1CCC(CCCCC)CC1)C(=O)OC ZINC001257374641 807131010 /nfs/dbraw/zinc/13/10/10/807131010.db2.gz GJEMDILPDJXUOL-GPANFISMSA-N 1 2 279.424 3.280 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCCSC1 ZINC001257664538 807207289 /nfs/dbraw/zinc/20/72/89/807207289.db2.gz QATBZIMKDQDIBT-CQSZACIVSA-N 1 2 287.469 3.375 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC3(c4ccccn4)CC3)c2)CC1 ZINC001168148899 807324449 /nfs/dbraw/zinc/32/44/49/807324449.db2.gz IDIKGRFMNBXSQK-UHFFFAOYSA-N 1 2 276.343 3.133 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168309627 807378216 /nfs/dbraw/zinc/37/82/16/807378216.db2.gz NMTFCZWTXGAMEE-OLZOCXBDSA-N 1 2 282.721 3.299 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168309627 807378225 /nfs/dbraw/zinc/37/82/25/807378225.db2.gz NMTFCZWTXGAMEE-OLZOCXBDSA-N 1 2 282.721 3.299 20 30 CGEDLO CCOc1cccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)c1 ZINC001258513161 807482635 /nfs/dbraw/zinc/48/26/35/807482635.db2.gz SFWWUTRZZSXTPA-ZHACJKMWSA-N 1 2 296.370 3.442 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169290577 807624775 /nfs/dbraw/zinc/62/47/75/807624775.db2.gz HMAJDXJMWQSBRM-CGZBRXJRSA-N 1 2 298.386 3.143 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169290577 807624780 /nfs/dbraw/zinc/62/47/80/807624780.db2.gz HMAJDXJMWQSBRM-CGZBRXJRSA-N 1 2 298.386 3.143 20 30 CGEDLO CC(C)CC(CC(C)C)[NH2+]C1(C#N)CCOCC1 ZINC001258832732 807648016 /nfs/dbraw/zinc/64/80/16/807648016.db2.gz KYBFITQQAHAARV-UHFFFAOYSA-N 1 2 252.402 3.110 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](CC)Cc1ccccc1)C(=O)OCC ZINC001258839753 807652618 /nfs/dbraw/zinc/65/26/18/807652618.db2.gz JIBIUBIAPNDITR-JFIYKMOQSA-N 1 2 287.403 3.105 20 30 CGEDLO CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258846331 807655926 /nfs/dbraw/zinc/65/59/26/807655926.db2.gz OZVSGIVECMMDIB-HOTGVXAUSA-N 1 2 287.428 3.282 20 30 CGEDLO CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258846331 807655931 /nfs/dbraw/zinc/65/59/31/807655931.db2.gz OZVSGIVECMMDIB-HOTGVXAUSA-N 1 2 287.428 3.282 20 30 CGEDLO CC1(C)CC(Nc2[nH+]cccc2CC#N)CC(C)(C)O1 ZINC001170358748 807829462 /nfs/dbraw/zinc/82/94/62/807829462.db2.gz REVMEMJFICANSA-UHFFFAOYSA-N 1 2 273.380 3.296 20 30 CGEDLO Cc1[nH+]c(C(C)(C)C)nc(NCCCS)c1C ZINC001171001261 807956635 /nfs/dbraw/zinc/95/66/35/807956635.db2.gz VNCYOFQBUVPLBJ-UHFFFAOYSA-N 1 2 253.415 3.123 20 30 CGEDLO C#C[C@H]1COCC[N@H+]1CCCSc1ccccc1Cl ZINC001171026924 807963734 /nfs/dbraw/zinc/96/37/34/807963734.db2.gz WFKGOCYKJYBABW-ZDUSSCGKSA-N 1 2 295.835 3.156 20 30 CGEDLO C#C[C@H]1COCC[N@@H+]1CCCSc1ccccc1Cl ZINC001171026924 807963736 /nfs/dbraw/zinc/96/37/36/807963736.db2.gz WFKGOCYKJYBABW-ZDUSSCGKSA-N 1 2 295.835 3.156 20 30 CGEDLO N#C[C@@H]1CC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049648 807972023 /nfs/dbraw/zinc/97/20/23/807972023.db2.gz KVOFDWYHBKVXFG-AAEUAGOBSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@@H]1CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049648 807972028 /nfs/dbraw/zinc/97/20/28/807972028.db2.gz KVOFDWYHBKVXFG-AAEUAGOBSA-N 1 2 260.768 3.043 20 30 CGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172308859 808223350 /nfs/dbraw/zinc/22/33/50/808223350.db2.gz AFFPUNLNJYNFKN-STQMWFEESA-N 1 2 278.346 3.466 20 30 CGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172308859 808223356 /nfs/dbraw/zinc/22/33/56/808223356.db2.gz AFFPUNLNJYNFKN-STQMWFEESA-N 1 2 278.346 3.466 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)c(F)c1F ZINC001213032513 815205672 /nfs/dbraw/zinc/20/56/72/815205672.db2.gz JPWKFYMWGBGVBV-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO CC(=O)c1ccc(Nc2cccc3[nH+]c[nH]c32)c(C#N)c1 ZINC001213033585 815207328 /nfs/dbraw/zinc/20/73/28/815207328.db2.gz NVGONZDJBGJCBC-UHFFFAOYSA-N 1 2 276.299 3.381 20 30 CGEDLO C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CC(CC#N)C1 ZINC001172849048 808462004 /nfs/dbraw/zinc/46/20/04/808462004.db2.gz IYIKPDNHOZUOAL-JTQLQIEISA-N 1 2 266.747 3.256 20 30 CGEDLO C[C@H](Cc1c(F)cccc1Cl)[NH+]1CC(CC#N)C1 ZINC001172849049 808462120 /nfs/dbraw/zinc/46/21/20/808462120.db2.gz IYIKPDNHOZUOAL-SNVBAGLBSA-N 1 2 266.747 3.256 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001268228608 808562796 /nfs/dbraw/zinc/56/27/96/808562796.db2.gz GMOPXEWLIGQTBG-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001268228608 808562799 /nfs/dbraw/zinc/56/27/99/808562799.db2.gz GMOPXEWLIGQTBG-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(C(F)(F)F)c1 ZINC001173825366 808691439 /nfs/dbraw/zinc/69/14/39/808691439.db2.gz NNWBMHKBNGJJHP-UHFFFAOYSA-N 1 2 295.264 3.345 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1C ZINC001275986053 808982189 /nfs/dbraw/zinc/98/21/89/808982189.db2.gz HNESLUAEKBAFGJ-CYBMUJFWSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1C ZINC001275986053 808982190 /nfs/dbraw/zinc/98/21/90/808982190.db2.gz HNESLUAEKBAFGJ-CYBMUJFWSA-N 1 2 294.826 3.106 20 30 CGEDLO C#Cc1cc(Nc2c(OC)cccc2C(F)(F)F)cc[nH+]1 ZINC001213339770 815266610 /nfs/dbraw/zinc/26/66/10/815266610.db2.gz ZNQURHLYBWYXLV-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO CCCCCCCCOCC(=O)Nc1c(C)c[nH+]cc1C ZINC001288772343 809368373 /nfs/dbraw/zinc/36/83/73/809368373.db2.gz WKLQTOBKNRTWPV-UHFFFAOYSA-N 1 2 292.423 3.436 20 30 CGEDLO COC(=O)c1ccc(Nc2c[nH+]c(C)cc2C)c(C#N)c1 ZINC001213520491 815296351 /nfs/dbraw/zinc/29/63/51/815296351.db2.gz BXWSQOXTZJFAFU-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO C=C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001301268169 809580623 /nfs/dbraw/zinc/58/06/23/809580623.db2.gz IWYVMLZZRAHYQG-OAHLLOKOSA-N 1 2 277.327 3.243 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC001178758761 809885823 /nfs/dbraw/zinc/88/58/23/809885823.db2.gz HKVZNVRVUMMJRT-UHFFFAOYSA-N 1 2 262.765 3.068 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(F)cc1C)c1ccc(F)cc1 ZINC001182019976 810090385 /nfs/dbraw/zinc/09/03/85/810090385.db2.gz FEDQPWYCDZALAI-HNNXBMFYSA-N 1 2 272.298 3.132 20 30 CGEDLO CCN(CC)c1ccc(Nc2cc(C)c(C#N)cn2)c[nH+]1 ZINC001184865846 810221927 /nfs/dbraw/zinc/22/19/27/810221927.db2.gz YHHYJBMYGXENRM-UHFFFAOYSA-N 1 2 281.363 3.247 20 30 CGEDLO C#CC[N@@H+](CCCC1CCCC1)CC(=O)OC(C)(C)C ZINC001195876353 811297585 /nfs/dbraw/zinc/29/75/85/811297585.db2.gz ILHZCZPLFRCUOF-UHFFFAOYSA-N 1 2 279.424 3.234 20 30 CGEDLO C#CC[N@H+](CCCC1CCCC1)CC(=O)OC(C)(C)C ZINC001195876353 811297592 /nfs/dbraw/zinc/29/75/92/811297592.db2.gz ILHZCZPLFRCUOF-UHFFFAOYSA-N 1 2 279.424 3.234 20 30 CGEDLO N#Cc1ccc2ccccc2c1Nc1ccc(N)[nH+]c1 ZINC001201283726 811806108 /nfs/dbraw/zinc/80/61/08/811806108.db2.gz FOIVSRVNECHLBN-UHFFFAOYSA-N 1 2 260.300 3.432 20 30 CGEDLO C#CCOc1ccc(Nc2ccc(C)[nH+]c2C)cc1 ZINC001203376469 812331585 /nfs/dbraw/zinc/33/15/85/812331585.db2.gz MJCBSLRASPUNPQ-UHFFFAOYSA-N 1 2 252.317 3.454 20 30 CGEDLO CCCCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001203970834 812505097 /nfs/dbraw/zinc/50/50/97/812505097.db2.gz SWQGGMJMZDDKFA-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001203970834 812505102 /nfs/dbraw/zinc/50/51/02/812505102.db2.gz SWQGGMJMZDDKFA-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203970832 812505583 /nfs/dbraw/zinc/50/55/83/812505583.db2.gz SWQGGMJMZDDKFA-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203970832 812505588 /nfs/dbraw/zinc/50/55/88/812505588.db2.gz SWQGGMJMZDDKFA-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO C=CCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001205417679 812979143 /nfs/dbraw/zinc/97/91/43/812979143.db2.gz JKASRMIIEYJMSP-UHFFFAOYSA-N 1 2 288.160 3.302 20 30 CGEDLO C=CCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001205417679 812979149 /nfs/dbraw/zinc/97/91/49/812979149.db2.gz JKASRMIIEYJMSP-UHFFFAOYSA-N 1 2 288.160 3.302 20 30 CGEDLO C=CCC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)C(=O)OCC ZINC001205848341 813106987 /nfs/dbraw/zinc/10/69/87/813106987.db2.gz CSBHKXKVYWMPHZ-QGZVFWFLSA-N 1 2 289.419 3.333 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(F)cc1 ZINC001205980052 813150419 /nfs/dbraw/zinc/15/04/19/813150419.db2.gz CBEMDTXGJKISMJ-HNNXBMFYSA-N 1 2 270.332 3.223 20 30 CGEDLO CC#CC[N@H+](C)Cc1cccc(Br)c1F ZINC001207715930 813640254 /nfs/dbraw/zinc/64/02/54/813640254.db2.gz RPPQSZXOBIPFBY-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cccc(Br)c1F ZINC001207715930 813640259 /nfs/dbraw/zinc/64/02/59/813640259.db2.gz RPPQSZXOBIPFBY-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC001208176171 813727526 /nfs/dbraw/zinc/72/75/26/813727526.db2.gz CGMGPBASIBZMPX-OAHLLOKOSA-N 1 2 298.434 3.274 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC001208176171 813727529 /nfs/dbraw/zinc/72/75/29/813727529.db2.gz CGMGPBASIBZMPX-OAHLLOKOSA-N 1 2 298.434 3.274 20 30 CGEDLO C[C@@H]1CC[N@H+](CCCc2ccc(C#N)cc2)CC1(F)F ZINC001208855711 813870182 /nfs/dbraw/zinc/87/01/82/813870182.db2.gz GAMULFYPBWKUTR-CYBMUJFWSA-N 1 2 278.346 3.468 20 30 CGEDLO C[C@@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)CC1(F)F ZINC001208855711 813870196 /nfs/dbraw/zinc/87/01/96/813870196.db2.gz GAMULFYPBWKUTR-CYBMUJFWSA-N 1 2 278.346 3.468 20 30 CGEDLO CCOC(=O)CC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209037401 813920607 /nfs/dbraw/zinc/92/06/07/813920607.db2.gz MVSXUAUPBYDNBY-UHFFFAOYSA-N 1 2 294.782 3.009 20 30 CGEDLO CCOC(=O)CC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209037401 813920610 /nfs/dbraw/zinc/92/06/10/813920610.db2.gz MVSXUAUPBYDNBY-UHFFFAOYSA-N 1 2 294.782 3.009 20 30 CGEDLO COCCC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209054215 813924421 /nfs/dbraw/zinc/92/44/21/813924421.db2.gz ZIPVVTORWRHNNT-UHFFFAOYSA-N 1 2 266.772 3.092 20 30 CGEDLO COCCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209054215 813924426 /nfs/dbraw/zinc/92/44/26/813924426.db2.gz ZIPVVTORWRHNNT-UHFFFAOYSA-N 1 2 266.772 3.092 20 30 CGEDLO C#CCCC[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001209270280 813989459 /nfs/dbraw/zinc/98/94/59/813989459.db2.gz XYRRQYMKCJVNID-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001209270280 813989466 /nfs/dbraw/zinc/98/94/66/813989466.db2.gz XYRRQYMKCJVNID-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C=CCCCCC[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001209433354 814035267 /nfs/dbraw/zinc/03/52/67/814035267.db2.gz UBNKMXCIZWNJFQ-UHFFFAOYSA-N 1 2 289.423 3.297 20 30 CGEDLO C=CCCCCC[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001209433354 814035272 /nfs/dbraw/zinc/03/52/72/814035272.db2.gz UBNKMXCIZWNJFQ-UHFFFAOYSA-N 1 2 289.423 3.297 20 30 CGEDLO CC(C)=CCCC1=CC[C@H](CN2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001210123117 814299435 /nfs/dbraw/zinc/29/94/35/814299435.db2.gz YVVWCGYIVWVPBC-ROUUACIJSA-N 1 2 287.451 3.257 20 30 CGEDLO COc1cc(Nc2ccc(C#N)c(F)c2F)cc(C)[nH+]1 ZINC001210780978 814627546 /nfs/dbraw/zinc/62/75/46/814627546.db2.gz UTUNDMMPLAJNGI-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO Cc1cc(Nc2ccc3c(c2)[nH+]cn3C)ccc1C#N ZINC001210807942 814637736 /nfs/dbraw/zinc/63/77/36/814637736.db2.gz PXNRDJSHRANBBA-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO C#Cc1cc(Nc2cccc(OC(F)(F)F)c2F)cc[nH+]1 ZINC001216521681 815849268 /nfs/dbraw/zinc/84/92/68/815849268.db2.gz XQUYRVUMYBHDNK-UHFFFAOYSA-N 1 2 296.223 3.266 20 30 CGEDLO CCCCCCCC[C@@H](CC)OC[C@@H]([NH3+])C(=O)OC ZINC001217898813 815996426 /nfs/dbraw/zinc/99/64/26/815996426.db2.gz XXRWGMIBAKBRJT-ZIAGYGMSSA-N 1 2 273.417 3.033 20 30 CGEDLO Cc1cc(C#N)cc(C)c1OC1C[NH+](Cc2ccccc2)C1 ZINC001226521870 817385983 /nfs/dbraw/zinc/38/59/83/817385983.db2.gz MRDACJLJTVEGFD-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO N#Cc1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1Cl ZINC001227203973 817589396 /nfs/dbraw/zinc/58/93/96/817589396.db2.gz DTVDONQVPYVTON-UHFFFAOYSA-N 1 2 298.773 3.475 20 30 CGEDLO CCCc1cc(C)nc(OC2C[NH+](C(C)(C)C)C2)c1C#N ZINC001228599854 817950286 /nfs/dbraw/zinc/95/02/86/817950286.db2.gz QELJMMGYHBTUOC-UHFFFAOYSA-N 1 2 287.407 3.076 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)cc1Cl ZINC001232113369 818258589 /nfs/dbraw/zinc/25/85/89/818258589.db2.gz SVIUGCLCDAISJN-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1Cl ZINC001232113369 818258595 /nfs/dbraw/zinc/25/85/95/818258595.db2.gz SVIUGCLCDAISJN-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232239966 818290973 /nfs/dbraw/zinc/29/09/73/818290973.db2.gz DDIYCGMBBCYFNT-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(Br)cc1C ZINC001232320426 818312507 /nfs/dbraw/zinc/31/25/07/818312507.db2.gz VQJKRDKZERCPIM-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(Br)cc1C ZINC001232320426 818312512 /nfs/dbraw/zinc/31/25/12/818312512.db2.gz VQJKRDKZERCPIM-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232609568 818394941 /nfs/dbraw/zinc/39/49/41/818394941.db2.gz KBDFFVRMPKRAIM-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232609568 818394946 /nfs/dbraw/zinc/39/49/46/818394946.db2.gz KBDFFVRMPKRAIM-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CC1(C)C[N@H+](Cc2[nH]ccc2C#N)Cc2ccccc21 ZINC001233047788 818509894 /nfs/dbraw/zinc/50/98/94/818509894.db2.gz KUTNGNKCPDIUPC-UHFFFAOYSA-N 1 2 265.360 3.180 20 30 CGEDLO CC1(C)C[N@@H+](Cc2[nH]ccc2C#N)Cc2ccccc21 ZINC001233047788 818509897 /nfs/dbraw/zinc/50/98/97/818509897.db2.gz KUTNGNKCPDIUPC-UHFFFAOYSA-N 1 2 265.360 3.180 20 30 CGEDLO C=CCC[N@H+](Cc1nc2ccccn2n1)Cc1ccccc1 ZINC001233070786 818516862 /nfs/dbraw/zinc/51/68/62/818516862.db2.gz TYSYSALZMRELRL-UHFFFAOYSA-N 1 2 292.386 3.308 20 30 CGEDLO C=CCC[N@@H+](Cc1nc2ccccn2n1)Cc1ccccc1 ZINC001233070786 818516869 /nfs/dbraw/zinc/51/68/69/818516869.db2.gz TYSYSALZMRELRL-UHFFFAOYSA-N 1 2 292.386 3.308 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359341 818598269 /nfs/dbraw/zinc/59/82/69/818598269.db2.gz SAFKAJXNZGWGBK-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO C[N@H+](CCC#N)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235037419 818986462 /nfs/dbraw/zinc/98/64/62/818986462.db2.gz XBPKRKBPUCURNY-UHFFFAOYSA-N 1 2 257.312 3.166 20 30 CGEDLO C[N@@H+](CCC#N)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235037419 818986467 /nfs/dbraw/zinc/98/64/67/818986467.db2.gz XBPKRKBPUCURNY-UHFFFAOYSA-N 1 2 257.312 3.166 20 30 CGEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(F)c1F ZINC001235450199 819101038 /nfs/dbraw/zinc/10/10/38/819101038.db2.gz DRZPHFWQEXBRSA-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO N#Cc1cc(F)c(C[NH+]2CCC(C(F)F)CC2)c(F)c1 ZINC001235658404 819130276 /nfs/dbraw/zinc/13/02/76/819130276.db2.gz LLJFBIMCRRTUEY-UHFFFAOYSA-N 1 2 286.272 3.314 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1nc2ccc(F)cc2[nH]1 ZINC001235695566 819145425 /nfs/dbraw/zinc/14/54/25/819145425.db2.gz PRULUIZSRQAKBE-UHFFFAOYSA-N 1 2 261.344 3.490 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1nc2ccc(F)cc2[nH]1 ZINC001235695566 819145431 /nfs/dbraw/zinc/14/54/31/819145431.db2.gz PRULUIZSRQAKBE-UHFFFAOYSA-N 1 2 261.344 3.490 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(Br)c(C)c1 ZINC001235822935 819175504 /nfs/dbraw/zinc/17/55/04/819175504.db2.gz HSFBLXYEWWILSX-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(Br)c(C)c1 ZINC001235822935 819175511 /nfs/dbraw/zinc/17/55/11/819175511.db2.gz HSFBLXYEWWILSX-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(O)c1 ZINC001236706015 819577463 /nfs/dbraw/zinc/57/74/63/819577463.db2.gz QYRULFRUTPRLRS-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(O)c1 ZINC001236706015 819577466 /nfs/dbraw/zinc/57/74/66/819577466.db2.gz QYRULFRUTPRLRS-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236987566 819641251 /nfs/dbraw/zinc/64/12/51/819641251.db2.gz CMCAOBRSYJQCKX-UHFFFAOYSA-N 1 2 288.394 3.434 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC001237278764 819716324 /nfs/dbraw/zinc/71/63/24/819716324.db2.gz KQSWSXSUNSDIQY-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC001237278764 819716328 /nfs/dbraw/zinc/71/63/28/819716328.db2.gz KQSWSXSUNSDIQY-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237293547 819719018 /nfs/dbraw/zinc/71/90/18/819719018.db2.gz XMELJSYEUGGVDL-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237293547 819719023 /nfs/dbraw/zinc/71/90/23/819719023.db2.gz XMELJSYEUGGVDL-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO CC[N@H+](Cc1ccnc(C#N)c1)Cc1cccc(F)c1F ZINC001237468444 819758919 /nfs/dbraw/zinc/75/89/19/819758919.db2.gz GXJBSAULTINEKR-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1cccc(F)c1F ZINC001237468444 819758923 /nfs/dbraw/zinc/75/89/23/819758923.db2.gz GXJBSAULTINEKR-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001237752500 819838474 /nfs/dbraw/zinc/83/84/74/819838474.db2.gz WHNOWYROLQHINP-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001237752500 819838481 /nfs/dbraw/zinc/83/84/81/819838481.db2.gz WHNOWYROLQHINP-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccnc(Br)c1Cl ZINC001238386277 819984797 /nfs/dbraw/zinc/98/47/97/819984797.db2.gz YISZQUJSLBBSSK-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C=CC[N@H+](C)Cc1ccnc(Br)c1Cl ZINC001238386277 819984800 /nfs/dbraw/zinc/98/48/00/819984800.db2.gz YISZQUJSLBBSSK-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO CCc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1C#N ZINC001238778437 820116157 /nfs/dbraw/zinc/11/61/57/820116157.db2.gz NBQXHTHGCKQKBB-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO CCc1cc(C[N@H+]2CCc3ncsc3C2)ccc1C#N ZINC001238778437 820116163 /nfs/dbraw/zinc/11/61/63/820116163.db2.gz NBQXHTHGCKQKBB-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO Cc1cnc(-c2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001243658415 823477544 /nfs/dbraw/zinc/47/75/44/823477544.db2.gz YBMQXPACHDQSAW-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#CCc1ccc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240217579 820889267 /nfs/dbraw/zinc/88/92/67/820889267.db2.gz JCIBWAFKUOKCNV-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#CCOc1cc(F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001240217536 820890161 /nfs/dbraw/zinc/89/01/61/820890161.db2.gz HRJVGQMXVMMBFF-UHFFFAOYSA-N 1 2 267.263 3.043 20 30 CGEDLO COc1ccc(-c2ccc3[nH+]ccn3c2)c(CC#N)c1 ZINC001240218377 820893136 /nfs/dbraw/zinc/89/31/36/820893136.db2.gz LTZSWHVOEJTXNJ-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO COc1cccc(-c2ccc3[nH+]c(C)cn3c2)c1C#N ZINC001242298945 822943776 /nfs/dbraw/zinc/94/37/76/822943776.db2.gz WNLXOIORXGKBHJ-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)NCc1c[nH+]c(C)cc1C ZINC001341690765 936447822 /nfs/dbraw/zinc/44/78/22/936447822.db2.gz XLALMFJBJGSNNA-INIZCTEOSA-N 1 2 287.407 3.339 20 30 CGEDLO C#CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)CC1CC1 ZINC001342671564 936474619 /nfs/dbraw/zinc/47/46/19/936474619.db2.gz FNFJAYFYSVSMHR-UHFFFAOYSA-N 1 2 299.805 3.371 20 30 CGEDLO C#CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)CC1CC1 ZINC001342671564 936474622 /nfs/dbraw/zinc/47/46/22/936474622.db2.gz FNFJAYFYSVSMHR-UHFFFAOYSA-N 1 2 299.805 3.371 20 30 CGEDLO C=C[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001348782808 936933876 /nfs/dbraw/zinc/93/38/76/936933876.db2.gz CETGRYHBCKZHBM-IRXDYDNUSA-N 1 2 295.386 3.016 20 30 CGEDLO C=CCCCN(CC)C(=O)NCc1cc[nH+]c(NCC)c1 ZINC001349112272 936943057 /nfs/dbraw/zinc/94/30/57/936943057.db2.gz NTSYZJVVIGVGQL-UHFFFAOYSA-N 1 2 290.411 3.011 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001473271878 937171921 /nfs/dbraw/zinc/17/19/21/937171921.db2.gz CWFYVKLAXHRSGG-XBFCOCLRSA-N 1 2 264.319 3.269 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001473271878 937171923 /nfs/dbraw/zinc/17/19/23/937171923.db2.gz CWFYVKLAXHRSGG-XBFCOCLRSA-N 1 2 264.319 3.269 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001486182010 927996870 /nfs/dbraw/zinc/99/68/70/927996870.db2.gz WJQOSEUBOJFAJD-OFCDUSSDSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001486182010 927996876 /nfs/dbraw/zinc/99/68/76/927996876.db2.gz WJQOSEUBOJFAJD-OFCDUSSDSA-N 1 2 296.842 3.230 20 30 CGEDLO COc1ccc(C#N)c(Nc2ccc(C)[nH+]c2C)c1 ZINC000150060032 937220339 /nfs/dbraw/zinc/22/03/39/937220339.db2.gz XWQCMLQBTYPKTI-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2ccncc2C#N)cc1 ZINC001244335666 928139416 /nfs/dbraw/zinc/13/94/16/928139416.db2.gz INDHZDRCQWYBBT-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OC ZINC001462502790 928793329 /nfs/dbraw/zinc/79/33/29/928793329.db2.gz IDQBQQTXQASBJG-HOCLYGCPSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CCC1(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)CCCC1 ZINC001456239499 937428509 /nfs/dbraw/zinc/42/85/09/937428509.db2.gz MVEHMAMQMDGOSN-UHFFFAOYSA-N 1 2 287.407 3.041 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407194 931952428 /nfs/dbraw/zinc/95/24/28/931952428.db2.gz ULOQOGLJBZZAHP-UHFFFAOYSA-N 1 2 290.370 3.356 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407194 931952437 /nfs/dbraw/zinc/95/24/37/931952437.db2.gz ULOQOGLJBZZAHP-UHFFFAOYSA-N 1 2 290.370 3.356 20 30 CGEDLO C[C@@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)C ZINC001462029604 937613536 /nfs/dbraw/zinc/61/35/36/937613536.db2.gz QUOLYDCRIFZYCV-FUHWJXTLSA-N 1 2 299.462 3.379 20 30 CGEDLO C[C@@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)C ZINC001462029604 937613537 /nfs/dbraw/zinc/61/35/37/937613537.db2.gz QUOLYDCRIFZYCV-FUHWJXTLSA-N 1 2 299.462 3.379 20 30 CGEDLO C[N@H+](Cc1csc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC001308587102 933137769 /nfs/dbraw/zinc/13/77/69/933137769.db2.gz AQNCDCCHKPHTDN-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC001308587102 933137773 /nfs/dbraw/zinc/13/77/73/933137773.db2.gz AQNCDCCHKPHTDN-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO C=CCCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001312634419 933377638 /nfs/dbraw/zinc/37/76/38/933377638.db2.gz YCTVARZADACOFA-AWEZNQCLSA-N 1 2 298.390 3.199 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001317467145 933600775 /nfs/dbraw/zinc/60/07/75/933600775.db2.gz PDQVIXVYGLRHEA-LBPRGKRZSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001317467145 933600778 /nfs/dbraw/zinc/60/07/78/933600778.db2.gz PDQVIXVYGLRHEA-LBPRGKRZSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1(CC)CCCC1 ZINC001317489192 933602266 /nfs/dbraw/zinc/60/22/66/933602266.db2.gz WGPQQRFVEFNEGR-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1(CC)CCCC1 ZINC001317489192 933602270 /nfs/dbraw/zinc/60/22/70/933602270.db2.gz WGPQQRFVEFNEGR-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1C=CCCC1)C1CC1 ZINC001317552021 933617861 /nfs/dbraw/zinc/61/78/61/933617861.db2.gz OENBSHYJRCFWGC-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1C=CCCC1)C1CC1 ZINC001317552021 933617866 /nfs/dbraw/zinc/61/78/66/933617866.db2.gz OENBSHYJRCFWGC-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001317754645 933645316 /nfs/dbraw/zinc/64/53/16/933645316.db2.gz PHOXDEFRCJNPBA-CYIWUNGXSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001317754645 933645320 /nfs/dbraw/zinc/64/53/20/933645320.db2.gz PHOXDEFRCJNPBA-CYIWUNGXSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(CCC)CCC)C1 ZINC001318149409 933689308 /nfs/dbraw/zinc/68/93/08/933689308.db2.gz RGSLYPZHTQEIGA-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001321150518 934156524 /nfs/dbraw/zinc/15/65/24/934156524.db2.gz VBKKCGFPWIEFRB-ZACQAIPSSA-N 1 2 287.403 3.420 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1cccc(C)c1)C(=O)OCC ZINC001321147042 934156860 /nfs/dbraw/zinc/15/68/60/934156860.db2.gz ACJIZFXOJQKQTB-WBVHZDCISA-N 1 2 289.419 3.414 20 30 CGEDLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C#N)c1 ZINC001326005681 934943631 /nfs/dbraw/zinc/94/36/31/934943631.db2.gz KFFGGTNKZLHJTM-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)c1 ZINC001326005681 934943632 /nfs/dbraw/zinc/94/36/32/934943632.db2.gz KFFGGTNKZLHJTM-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO C#C[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC001329239367 935198008 /nfs/dbraw/zinc/19/80/08/935198008.db2.gz JGVRBGPHFNBOAA-HNNXBMFYSA-N 1 2 263.344 3.449 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccc(C#N)c1O ZINC001329747920 935243522 /nfs/dbraw/zinc/24/35/22/935243522.db2.gz DOLMDRDGVIQOFG-WCFLWFBJSA-N 1 2 262.328 3.195 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OCC ZINC001331669121 935402524 /nfs/dbraw/zinc/40/25/24/935402524.db2.gz CEDUSDLVKOPFFY-ZBFHGGJFSA-N 1 2 275.392 3.196 20 30 CGEDLO Fc1ccc(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001333397994 935533824 /nfs/dbraw/zinc/53/38/24/935533824.db2.gz MFEAOIDQCBYLCH-UHFFFAOYSA-N 1 2 294.333 3.135 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC001333889166 936074064 /nfs/dbraw/zinc/07/40/64/936074064.db2.gz GLMQVCAYMKVMCA-UHFFFAOYSA-N 1 2 284.384 3.454 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC001333889166 936074068 /nfs/dbraw/zinc/07/40/68/936074068.db2.gz GLMQVCAYMKVMCA-UHFFFAOYSA-N 1 2 284.384 3.454 20 30 CGEDLO C=C(C)CCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC001335919587 936167298 /nfs/dbraw/zinc/16/72/98/936167298.db2.gz IIXUNFNFWINYLX-UHFFFAOYSA-N 1 2 281.425 3.280 20 30 CGEDLO C#CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)C(C)C ZINC001474734194 937877904 /nfs/dbraw/zinc/87/79/04/937877904.db2.gz KXWOKIHJGGPRDR-GFCCVEGCSA-N 1 2 262.422 3.112 20 30 CGEDLO C#CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C(C)C ZINC001474734194 937877905 /nfs/dbraw/zinc/87/79/05/937877905.db2.gz KXWOKIHJGGPRDR-GFCCVEGCSA-N 1 2 262.422 3.112 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001494292291 937954034 /nfs/dbraw/zinc/95/40/34/937954034.db2.gz SPQIHINSKZRMRV-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001494292291 937954035 /nfs/dbraw/zinc/95/40/35/937954035.db2.gz SPQIHINSKZRMRV-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001527585087 938062360 /nfs/dbraw/zinc/06/23/60/938062360.db2.gz HOSSVWJFXHDBDK-UHFFFAOYSA-N 1 2 291.354 3.086 20 30 CGEDLO C[C@@H]1COCC[N@@H+]1CCSc1ccc(Cl)cc1C#N ZINC001559379058 938225779 /nfs/dbraw/zinc/22/57/79/938225779.db2.gz BGLSAVIXSXCKMA-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1COCC[N@H+]1CCSc1ccc(Cl)cc1C#N ZINC001559379058 938225780 /nfs/dbraw/zinc/22/57/80/938225780.db2.gz BGLSAVIXSXCKMA-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Br)nc1 ZINC001560718041 938271973 /nfs/dbraw/zinc/27/19/73/938271973.db2.gz GTWDGSZQQISPMJ-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)nc1 ZINC001560718041 938271974 /nfs/dbraw/zinc/27/19/74/938271974.db2.gz GTWDGSZQQISPMJ-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO C=CCNC(=O)c1ccc(NCc2cc(C)[nH+]c(C)c2)cc1 ZINC001560909910 938283355 /nfs/dbraw/zinc/28/33/55/938283355.db2.gz JXSIWGFEEGRXNV-UHFFFAOYSA-N 1 2 295.386 3.226 20 30 CGEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(CC)CCCCC ZINC001565836050 960837608 /nfs/dbraw/zinc/83/76/08/960837608.db2.gz ZXKLGWAIRSEXMF-AEFFLSMTSA-N 1 2 292.467 3.149 20 30 CGEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(CC)CCCCC ZINC001565836050 960837627 /nfs/dbraw/zinc/83/76/27/960837627.db2.gz ZXKLGWAIRSEXMF-AEFFLSMTSA-N 1 2 292.467 3.149 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)CCC)C1CC1 ZINC001567448119 961350124 /nfs/dbraw/zinc/35/01/24/961350124.db2.gz DSFFDOIAMDKCGM-UHFFFAOYSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)CCC)C1CC1 ZINC001567448119 961350142 /nfs/dbraw/zinc/35/01/42/961350142.db2.gz DSFFDOIAMDKCGM-UHFFFAOYSA-N 1 2 286.847 3.146 20 30 CGEDLO N#CC1(CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC1 ZINC000590198579 346836686 /nfs/dbraw/zinc/83/66/86/346836686.db2.gz WFTMMYPWVUIYNI-UHFFFAOYSA-N 1 2 294.358 3.463 20 30 CGEDLO CC(F)(F)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590260834 346838946 /nfs/dbraw/zinc/83/89/46/346838946.db2.gz LESBRDDZFIJJKU-CYBMUJFWSA-N 1 2 250.292 3.180 20 30 CGEDLO CCn1nc(C)c(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000294972471 199277809 /nfs/dbraw/zinc/27/78/09/199277809.db2.gz WVMSENOWUPFWPW-CQSZACIVSA-N 1 2 297.406 3.061 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000294972471 199277811 /nfs/dbraw/zinc/27/78/11/199277811.db2.gz WVMSENOWUPFWPW-CQSZACIVSA-N 1 2 297.406 3.061 20 30 CGEDLO CC[C@H](F)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000440524920 529437273 /nfs/dbraw/zinc/43/72/73/529437273.db2.gz LHGZMKVSIJKSFY-ZDUSSCGKSA-N 1 2 295.789 3.082 20 30 CGEDLO C[C@H](C#N)C[N@H+](CCc1c(F)cccc1F)C1CC1 ZINC000592086578 346962121 /nfs/dbraw/zinc/96/21/21/346962121.db2.gz LQLDUWDBRFBHME-LLVKDONJSA-N 1 2 264.319 3.131 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CCc1c(F)cccc1F)C1CC1 ZINC000592086578 346962123 /nfs/dbraw/zinc/96/21/23/346962123.db2.gz LQLDUWDBRFBHME-LLVKDONJSA-N 1 2 264.319 3.131 20 30 CGEDLO CC[N@H+](Cc1ccc(C)cc1)Cc1ccncc1C#N ZINC000592066219 346959153 /nfs/dbraw/zinc/95/91/53/346959153.db2.gz PLPUVUVUERRRMX-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccncc1C#N ZINC000592066219 346959159 /nfs/dbraw/zinc/95/91/59/346959159.db2.gz PLPUVUVUERRRMX-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147664 346966756 /nfs/dbraw/zinc/96/67/56/346966756.db2.gz REBKSBWUNTUROS-IINYFYTJSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147664 346966759 /nfs/dbraw/zinc/96/67/59/346966759.db2.gz REBKSBWUNTUROS-IINYFYTJSA-N 1 2 299.201 3.405 20 30 CGEDLO Cc1nnsc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000593013433 347027110 /nfs/dbraw/zinc/02/71/10/347027110.db2.gz MOJRFYOWTGMNOX-GJZGRUSLSA-N 1 2 298.415 3.118 20 30 CGEDLO Cc1nnsc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000593013433 347027112 /nfs/dbraw/zinc/02/71/12/347027112.db2.gz MOJRFYOWTGMNOX-GJZGRUSLSA-N 1 2 298.415 3.118 20 30 CGEDLO CCOc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593123776 347043016 /nfs/dbraw/zinc/04/30/16/347043016.db2.gz VXIBSENQZOXISH-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO CCOc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593123776 347043017 /nfs/dbraw/zinc/04/30/17/347043017.db2.gz VXIBSENQZOXISH-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000356090621 530021782 /nfs/dbraw/zinc/02/17/82/530021782.db2.gz RTVLTXFMZUXARC-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1cccc(Cl)c1 ZINC000356090621 530021783 /nfs/dbraw/zinc/02/17/83/530021783.db2.gz RTVLTXFMZUXARC-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO N#CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248216 345101524 /nfs/dbraw/zinc/10/15/24/345101524.db2.gz FCANFWCBSSMIKA-AWEZNQCLSA-N 1 2 264.756 3.017 20 30 CGEDLO N#CCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000052248216 345101526 /nfs/dbraw/zinc/10/15/26/345101526.db2.gz FCANFWCBSSMIKA-AWEZNQCLSA-N 1 2 264.756 3.017 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC[S@](=O)c1ccccc1 ZINC000072692086 345416309 /nfs/dbraw/zinc/41/63/09/345416309.db2.gz OWXQUHDQYGRUQV-HXUWFJFHSA-N 1 2 292.448 3.056 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC[S@](=O)c1ccccc1 ZINC000072692086 345416312 /nfs/dbraw/zinc/41/63/12/345416312.db2.gz OWXQUHDQYGRUQV-HXUWFJFHSA-N 1 2 292.448 3.056 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000113793900 345961936 /nfs/dbraw/zinc/96/19/36/345961936.db2.gz BDDACYQSILNIGQ-GOSISDBHSA-N 1 2 280.371 3.136 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000113793900 345961938 /nfs/dbraw/zinc/96/19/38/345961938.db2.gz BDDACYQSILNIGQ-GOSISDBHSA-N 1 2 280.371 3.136 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000138290582 346096028 /nfs/dbraw/zinc/09/60/28/346096028.db2.gz LNLIRDVGRGEPON-UHFFFAOYSA-N 1 2 269.348 3.135 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000138290582 346096030 /nfs/dbraw/zinc/09/60/30/346096030.db2.gz LNLIRDVGRGEPON-UHFFFAOYSA-N 1 2 269.348 3.135 20 30 CGEDLO CSc1ccc(NCc2ccc(C#N)cc2)[nH+]c1 ZINC000150886645 346134653 /nfs/dbraw/zinc/13/46/53/346134653.db2.gz PEEWVRGEIXLGGP-UHFFFAOYSA-N 1 2 255.346 3.287 20 30 CGEDLO C[C@@H](CC#N)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000160314520 346170789 /nfs/dbraw/zinc/17/07/89/346170789.db2.gz NCHOQNZQIIYOES-LBPRGKRZSA-N 1 2 296.330 3.298 20 30 CGEDLO Cc1cc(N2Cc3cccc(C#N)c3C2)nc(C2CC2)[nH+]1 ZINC000593521294 347090522 /nfs/dbraw/zinc/09/05/22/347090522.db2.gz WNMQHZRDTUTEDT-UHFFFAOYSA-N 1 2 276.343 3.054 20 30 CGEDLO Cc1nc(NCCCCn2cc[nH+]c2)c(Cl)cc1C#N ZINC000313014040 346479146 /nfs/dbraw/zinc/47/91/46/346479146.db2.gz CHIUNRLXDLRMAM-UHFFFAOYSA-N 1 2 289.770 3.004 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000403805934 346598364 /nfs/dbraw/zinc/59/83/64/346598364.db2.gz GGFVAJSDVLEKFF-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000403805934 346598365 /nfs/dbraw/zinc/59/83/65/346598365.db2.gz GGFVAJSDVLEKFF-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594038358 347141778 /nfs/dbraw/zinc/14/17/78/347141778.db2.gz PFWYSAQLENMLAJ-GFCCVEGCSA-N 1 2 298.390 3.372 20 30 CGEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594038358 347141780 /nfs/dbraw/zinc/14/17/80/347141780.db2.gz PFWYSAQLENMLAJ-GFCCVEGCSA-N 1 2 298.390 3.372 20 30 CGEDLO COc1cc[nH+]cc1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594734634 347215082 /nfs/dbraw/zinc/21/50/82/347215082.db2.gz BMCWEASEJVVFSK-UHFFFAOYSA-N 1 2 279.343 3.257 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC)c1 ZINC000594970304 347245357 /nfs/dbraw/zinc/24/53/57/347245357.db2.gz XTGRZYGQCVJGGU-GOSISDBHSA-N 1 2 296.370 3.044 20 30 CGEDLO COc1ccc(F)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981759 347248353 /nfs/dbraw/zinc/24/83/53/347248353.db2.gz UWLRMAJMTZTMMM-UHFFFAOYSA-N 1 2 276.355 3.398 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc3c(s2)CCC3)CCCCC1 ZINC000594982132 347248464 /nfs/dbraw/zinc/24/84/64/347248464.db2.gz ZTQICGAQYNEIEB-UHFFFAOYSA-N 1 2 275.421 3.195 20 30 CGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616088 347327940 /nfs/dbraw/zinc/32/79/40/347327940.db2.gz OYYIXARPBFUQPU-QWHCGFSZSA-N 1 2 296.374 3.022 20 30 CGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616088 347327941 /nfs/dbraw/zinc/32/79/41/347327941.db2.gz OYYIXARPBFUQPU-QWHCGFSZSA-N 1 2 296.374 3.022 20 30 CGEDLO CC(C)c1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595642697 347332588 /nfs/dbraw/zinc/33/25/88/347332588.db2.gz QUKQEUDKVHWHMI-UHFFFAOYSA-N 1 2 284.363 3.090 20 30 CGEDLO C[C@H]1CC2(C[N@@H+]1[C@@H](C#N)c1ccccc1)CCOCC2 ZINC000595557571 347319162 /nfs/dbraw/zinc/31/91/62/347319162.db2.gz KPAYAQCHTQKUKH-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1CC2(C[N@H+]1[C@@H](C#N)c1ccccc1)CCOCC2 ZINC000595557571 347319164 /nfs/dbraw/zinc/31/91/64/347319164.db2.gz KPAYAQCHTQKUKH-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841038 347365267 /nfs/dbraw/zinc/36/52/67/347365267.db2.gz UPSKQGBIWYFUMV-INIZCTEOSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841038 347365270 /nfs/dbraw/zinc/36/52/70/347365270.db2.gz UPSKQGBIWYFUMV-INIZCTEOSA-N 1 2 258.365 3.209 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000596599477 347485798 /nfs/dbraw/zinc/48/57/98/347485798.db2.gz VLCFYFNSDGRPCX-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000596599477 347485803 /nfs/dbraw/zinc/48/58/03/347485803.db2.gz VLCFYFNSDGRPCX-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO Cc1cc[nH+]cc1Cc1noc(CC2(C#N)CCCCC2)n1 ZINC000596617906 347490764 /nfs/dbraw/zinc/49/07/64/347490764.db2.gz XHGKNMGEBIVXBP-UHFFFAOYSA-N 1 2 296.374 3.380 20 30 CGEDLO CSCc1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597178219 347545185 /nfs/dbraw/zinc/54/51/85/347545185.db2.gz WLTKFXTYGLXJEF-LLVKDONJSA-N 1 2 281.450 3.132 20 30 CGEDLO CSCc1cnc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597178219 347545188 /nfs/dbraw/zinc/54/51/88/347545188.db2.gz WLTKFXTYGLXJEF-LLVKDONJSA-N 1 2 281.450 3.132 20 30 CGEDLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597230853 347558654 /nfs/dbraw/zinc/55/86/54/347558654.db2.gz UIGRRRUEWNDVBO-CQSZACIVSA-N 1 2 263.410 3.176 20 30 CGEDLO CC(C)(C)c1ncc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597230853 347558658 /nfs/dbraw/zinc/55/86/58/347558658.db2.gz UIGRRRUEWNDVBO-CQSZACIVSA-N 1 2 263.410 3.176 20 30 CGEDLO C=CCCOCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599060438 347712767 /nfs/dbraw/zinc/71/27/67/347712767.db2.gz TXZQSSVLIOJZDU-UHFFFAOYSA-N 1 2 287.319 3.148 20 30 CGEDLO CCc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599686058 347766008 /nfs/dbraw/zinc/76/60/08/347766008.db2.gz MGYYDPYCZCDWCH-UHFFFAOYSA-N 1 2 297.427 3.330 20 30 CGEDLO CCc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599686058 347766010 /nfs/dbraw/zinc/76/60/10/347766010.db2.gz MGYYDPYCZCDWCH-UHFFFAOYSA-N 1 2 297.427 3.330 20 30 CGEDLO C[C@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H](C)C1(F)F ZINC000599514232 347748909 /nfs/dbraw/zinc/74/89/09/347748909.db2.gz VUVOORIXVZZQBG-QWRGUYRKSA-N 1 2 282.309 3.420 20 30 CGEDLO Cc1[nH]c(CN(C)[C@@H](C)c2cccc(C#N)c2)[nH+]c1C ZINC000600167485 347787899 /nfs/dbraw/zinc/78/78/99/347787899.db2.gz WAVSKEGXBJMOKA-ZDUSSCGKSA-N 1 2 268.364 3.091 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000600167485 347787902 /nfs/dbraw/zinc/78/79/02/347787902.db2.gz WAVSKEGXBJMOKA-ZDUSSCGKSA-N 1 2 268.364 3.091 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000600167485 347787904 /nfs/dbraw/zinc/78/79/04/347787904.db2.gz WAVSKEGXBJMOKA-ZDUSSCGKSA-N 1 2 268.364 3.091 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC2(CC2)C1 ZINC000601026964 347853167 /nfs/dbraw/zinc/85/31/67/347853167.db2.gz TXEDEAWMBZKQFL-UHFFFAOYSA-N 1 2 292.342 3.099 20 30 CGEDLO COc1ccc(-c2ccc(NC(C)C)[nH+]c2)cc1C#N ZINC000600788315 347835835 /nfs/dbraw/zinc/83/58/35/347835835.db2.gz JHOOAXDATDXUKQ-UHFFFAOYSA-N 1 2 267.332 3.449 20 30 CGEDLO CN(c1nc2ccccc2n2c[nH+]cc12)[C@@H]1CCC[C@H]1C#N ZINC000601233565 347883566 /nfs/dbraw/zinc/88/35/66/347883566.db2.gz MUVXRHONXGCGIA-GXTWGEPZSA-N 1 2 291.358 3.011 20 30 CGEDLO C=CCN(Cc1[nH+]ccn1C(C)C)CC(F)(F)F ZINC000602246744 347943263 /nfs/dbraw/zinc/94/32/63/347943263.db2.gz CBOUIRLKDTZJPR-UHFFFAOYSA-N 1 2 261.291 3.014 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C2CCC2)no1)c1ccc(C#N)cc1 ZINC000602796509 348030050 /nfs/dbraw/zinc/03/00/50/348030050.db2.gz BDBYHCHWMLYUOK-NSHDSACASA-N 1 2 282.347 3.060 20 30 CGEDLO Cc1cc(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)c(C)n1 ZINC000602805305 348031646 /nfs/dbraw/zinc/03/16/46/348031646.db2.gz OOSKHOZTTTZGLN-MRXNPFEDSA-N 1 2 257.381 3.133 20 30 CGEDLO Cc1cc(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)c(C)n1 ZINC000602805305 348031649 /nfs/dbraw/zinc/03/16/49/348031649.db2.gz OOSKHOZTTTZGLN-MRXNPFEDSA-N 1 2 257.381 3.133 20 30 CGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602863125 348038070 /nfs/dbraw/zinc/03/80/70/348038070.db2.gz NYGJJYYDOSUBRO-STQMWFEESA-N 1 2 287.407 3.030 20 30 CGEDLO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602865082 348038097 /nfs/dbraw/zinc/03/80/97/348038097.db2.gz WDIAXEUGTYHWIA-OLZOCXBDSA-N 1 2 273.380 3.030 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2F)nc1 ZINC000602871488 348038974 /nfs/dbraw/zinc/03/89/74/348038974.db2.gz SDHLSBWHZPTDBG-CYBMUJFWSA-N 1 2 299.349 3.191 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccco1 ZINC000602926470 348045241 /nfs/dbraw/zinc/04/52/41/348045241.db2.gz OCNZFEPWKLZCIO-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccco1 ZINC000602926470 348045242 /nfs/dbraw/zinc/04/52/42/348045242.db2.gz OCNZFEPWKLZCIO-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602979592 348050373 /nfs/dbraw/zinc/05/03/73/348050373.db2.gz GGSATPDRXFFUNN-IUODEOHRSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602979592 348050374 /nfs/dbraw/zinc/05/03/74/348050374.db2.gz GGSATPDRXFFUNN-IUODEOHRSA-N 1 2 273.767 3.336 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@H](C)C#N ZINC000604410537 348119597 /nfs/dbraw/zinc/11/95/97/348119597.db2.gz URNJDBPCVMXTER-CYBMUJFWSA-N 1 2 299.374 3.332 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@H](C)C#N ZINC000604410537 348119598 /nfs/dbraw/zinc/11/95/98/348119598.db2.gz URNJDBPCVMXTER-CYBMUJFWSA-N 1 2 299.374 3.332 20 30 CGEDLO CC#CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000607734843 348260408 /nfs/dbraw/zinc/26/04/08/348260408.db2.gz DZGDEDGSBOTVKR-CQSZACIVSA-N 1 2 265.809 3.453 20 30 CGEDLO CC#CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000607734843 348260411 /nfs/dbraw/zinc/26/04/11/348260411.db2.gz DZGDEDGSBOTVKR-CQSZACIVSA-N 1 2 265.809 3.453 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1F ZINC000611501999 348456648 /nfs/dbraw/zinc/45/66/48/348456648.db2.gz LMILJSXQZYCDPZ-ZWNOBZJWSA-N 1 2 298.308 3.340 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1F ZINC000611501999 348456652 /nfs/dbraw/zinc/45/66/52/348456652.db2.gz LMILJSXQZYCDPZ-ZWNOBZJWSA-N 1 2 298.308 3.340 20 30 CGEDLO COc1ccccc1/C=C\C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406333 348517670 /nfs/dbraw/zinc/51/76/70/348517670.db2.gz KFVUNWVNTXORRT-CTEOGUNLSA-N 1 2 270.376 3.334 20 30 CGEDLO COc1ccccc1/C=C\C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406333 348517672 /nfs/dbraw/zinc/51/76/72/348517672.db2.gz KFVUNWVNTXORRT-CTEOGUNLSA-N 1 2 270.376 3.334 20 30 CGEDLO CC(C)(C)c1nc(N[C@H]2CCc3cc(C#N)ccc32)cc[nH+]1 ZINC000618693389 349145112 /nfs/dbraw/zinc/14/51/12/349145112.db2.gz GNBJNWRWBDSDON-HNNXBMFYSA-N 1 2 292.386 3.167 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619015803 349193785 /nfs/dbraw/zinc/19/37/85/349193785.db2.gz MPZIJCJFLPXZFE-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000619718846 349277789 /nfs/dbraw/zinc/27/77/89/349277789.db2.gz CIWVVNUBDRMRGM-RHSMWYFYSA-N 1 2 298.386 3.075 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000619718846 349277790 /nfs/dbraw/zinc/27/77/90/349277790.db2.gz CIWVVNUBDRMRGM-RHSMWYFYSA-N 1 2 298.386 3.075 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755906 349282481 /nfs/dbraw/zinc/28/24/81/349282481.db2.gz YEJIYSSIRYSLNQ-VIFPVBQESA-N 1 2 274.755 3.094 20 30 CGEDLO C=CCCC(C)(C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000620857786 349429708 /nfs/dbraw/zinc/42/97/08/349429708.db2.gz JHMQVGIHHQFTHM-UHFFFAOYSA-N 1 2 299.418 3.460 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000620864876 349432599 /nfs/dbraw/zinc/43/25/99/349432599.db2.gz SJMUSSIIDMSHKK-UHFFFAOYSA-N 1 2 271.364 3.117 20 30 CGEDLO C=CCC[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000627370607 350357843 /nfs/dbraw/zinc/35/78/43/350357843.db2.gz GCLVCIUNNOBWIX-OAHLLOKOSA-N 1 2 295.386 3.044 20 30 CGEDLO C=CCC[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000627370607 350357846 /nfs/dbraw/zinc/35/78/46/350357846.db2.gz GCLVCIUNNOBWIX-OAHLLOKOSA-N 1 2 295.386 3.044 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000271423244 191129895 /nfs/dbraw/zinc/12/98/95/191129895.db2.gz CDNJJRGQJPMQPV-LBPRGKRZSA-N 1 2 286.400 3.314 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1csc(C)n1 ZINC000271423241 191129996 /nfs/dbraw/zinc/12/99/96/191129996.db2.gz CDNJJRGQJPMQPV-GFCCVEGCSA-N 1 2 286.400 3.314 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633526363 351317076 /nfs/dbraw/zinc/31/70/76/351317076.db2.gz ZGULFFKPDXVDRI-UHFFFAOYSA-N 1 2 283.375 3.295 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000633672107 351344263 /nfs/dbraw/zinc/34/42/63/351344263.db2.gz LCEXVVFYDWVCLK-ZDUSSCGKSA-N 1 2 281.359 3.115 20 30 CGEDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413309895 235267559 /nfs/dbraw/zinc/26/75/59/235267559.db2.gz BZEPBEBONSWPII-NSHDSACASA-N 1 2 299.334 3.164 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)o1 ZINC000128370059 283141722 /nfs/dbraw/zinc/14/17/22/283141722.db2.gz IGOBGXIFHJURAO-INIZCTEOSA-N 1 2 284.384 3.441 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)o1 ZINC000128370059 283141726 /nfs/dbraw/zinc/14/17/26/283141726.db2.gz IGOBGXIFHJURAO-INIZCTEOSA-N 1 2 284.384 3.441 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1nc2c(s1)CCCC2 ZINC000093336019 138345540 /nfs/dbraw/zinc/34/55/40/138345540.db2.gz VPHVEGONFIALDS-UHFFFAOYSA-N 1 2 287.388 3.119 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1nc2c(s1)CCCC2 ZINC000093336019 138345542 /nfs/dbraw/zinc/34/55/42/138345542.db2.gz VPHVEGONFIALDS-UHFFFAOYSA-N 1 2 287.388 3.119 20 30 CGEDLO Cc1cccc(OCCN(C)c2cc(C)[nH+]cc2C#N)c1 ZINC000425210963 236220380 /nfs/dbraw/zinc/22/03/80/236220380.db2.gz SHSGOTYNJYOTKD-UHFFFAOYSA-N 1 2 281.359 3.085 20 30 CGEDLO Cc1cc(NCc2ccccc2N(C)C(C)C)c(C#N)c[nH+]1 ZINC000425252905 236223151 /nfs/dbraw/zinc/22/31/51/236223151.db2.gz IEEDJYAWEBVAAN-UHFFFAOYSA-N 1 2 294.402 3.140 20 30 CGEDLO Cc1cc(NCc2ccc(C(C)(F)F)cc2)c(C#N)c[nH+]1 ZINC000425268573 236225959 /nfs/dbraw/zinc/22/59/59/236225959.db2.gz PCUTYXOONMYPSV-UHFFFAOYSA-N 1 2 287.313 3.407 20 30 CGEDLO Cc1cc(NCc2ccc(C3CC3)cc2F)c(C#N)c[nH+]1 ZINC000425269680 236226183 /nfs/dbraw/zinc/22/61/83/236226183.db2.gz RIOAGNURNQXDEZ-UHFFFAOYSA-N 1 2 281.334 3.312 20 30 CGEDLO CCc1nc([C@H](C)[NH2+]Cc2ccccc2C#N)cs1 ZINC000179087228 189168233 /nfs/dbraw/zinc/16/82/33/189168233.db2.gz CQQXCCAQPFZJTQ-NSHDSACASA-N 1 2 271.389 3.428 20 30 CGEDLO Cc1ccc(CCNc2c(C#N)cnc3ccccc32)c[nH+]1 ZINC000301564194 201070478 /nfs/dbraw/zinc/07/04/78/201070478.db2.gz JZYYYBLDRFXGSX-UHFFFAOYSA-N 1 2 288.354 3.465 20 30 CGEDLO N#Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000301978645 201285738 /nfs/dbraw/zinc/28/57/38/201285738.db2.gz FJDXSABLKNBKMP-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO C#CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275681112 193103740 /nfs/dbraw/zinc/10/37/40/193103740.db2.gz ZZYXSLWWRYCUPE-SWLSCSKDSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275681112 193103741 /nfs/dbraw/zinc/10/37/41/193103741.db2.gz ZZYXSLWWRYCUPE-SWLSCSKDSA-N 1 2 263.768 3.125 20 30 CGEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1nc2c(s1)CCC2 ZINC000459638382 242157554 /nfs/dbraw/zinc/15/75/54/242157554.db2.gz ZTFVYGWPIIBUDY-NSHDSACASA-N 1 2 283.400 3.354 20 30 CGEDLO N#Cc1cccc(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000121842788 370901110 /nfs/dbraw/zinc/90/11/10/370901110.db2.gz AGIJTALBVDVIRT-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000028922365 368890311 /nfs/dbraw/zinc/89/03/11/368890311.db2.gz IGJFAFCGRVANKB-GFCCVEGCSA-N 1 2 291.782 3.224 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000028922365 368890315 /nfs/dbraw/zinc/89/03/15/368890315.db2.gz IGJFAFCGRVANKB-GFCCVEGCSA-N 1 2 291.782 3.224 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000042324745 369213278 /nfs/dbraw/zinc/21/32/78/369213278.db2.gz KCBXNNKAKONTCD-SNVBAGLBSA-N 1 2 256.271 3.297 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000042324745 369213282 /nfs/dbraw/zinc/21/32/82/369213282.db2.gz KCBXNNKAKONTCD-SNVBAGLBSA-N 1 2 256.271 3.297 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)cc1 ZINC000042451104 369223003 /nfs/dbraw/zinc/22/30/03/369223003.db2.gz NDKROGXXSIHKEM-UHFFFAOYSA-N 1 2 267.170 3.185 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)cc1 ZINC000042451104 369223006 /nfs/dbraw/zinc/22/30/06/369223006.db2.gz NDKROGXXSIHKEM-UHFFFAOYSA-N 1 2 267.170 3.185 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000127879299 370957761 /nfs/dbraw/zinc/95/77/61/370957761.db2.gz SFDQPSKWHGHXKS-LBPRGKRZSA-N 1 2 275.421 3.115 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000127879299 370957768 /nfs/dbraw/zinc/95/77/68/370957768.db2.gz SFDQPSKWHGHXKS-LBPRGKRZSA-N 1 2 275.421 3.115 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057907292 369549792 /nfs/dbraw/zinc/54/97/92/369549792.db2.gz JODLHUZBMOMEFL-UHFFFAOYSA-N 1 2 299.418 3.293 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)C(C)(C)C#N)cc2[nH+]1 ZINC000065903962 369686697 /nfs/dbraw/zinc/68/66/97/369686697.db2.gz QCZYVLDHTFYMRQ-UHFFFAOYSA-N 1 2 284.363 3.394 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nccs1 ZINC000080268423 369985460 /nfs/dbraw/zinc/98/54/60/369985460.db2.gz LCLHWTGGYOFLED-LBPRGKRZSA-N 1 2 272.373 3.006 20 30 CGEDLO Cc1cc(C)n2c(C[N@H+](CCC#N)CC(C)(C)C)cnc2n1 ZINC000093101191 370109802 /nfs/dbraw/zinc/10/98/02/370109802.db2.gz NEDLMQLKXGFMMF-UHFFFAOYSA-N 1 2 299.422 3.108 20 30 CGEDLO Cc1cc(C)n2c(C[N@@H+](CCC#N)CC(C)(C)C)cnc2n1 ZINC000093101191 370109809 /nfs/dbraw/zinc/10/98/09/370109809.db2.gz NEDLMQLKXGFMMF-UHFFFAOYSA-N 1 2 299.422 3.108 20 30 CGEDLO CC[N@@H+](Cc1csc(Br)c1)C[C@H](C)C#N ZINC000098134142 370266348 /nfs/dbraw/zinc/26/63/48/370266348.db2.gz FFMLTRIMKPAVSY-SECBINFHSA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@H+](Cc1csc(Br)c1)C[C@H](C)C#N ZINC000098134142 370266351 /nfs/dbraw/zinc/26/63/51/370266351.db2.gz FFMLTRIMKPAVSY-SECBINFHSA-N 1 2 287.226 3.492 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000104359681 370343544 /nfs/dbraw/zinc/34/35/44/370343544.db2.gz CMWZQMKBJKBEHL-NSHDSACASA-N 1 2 282.771 3.139 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135113125 371391462 /nfs/dbraw/zinc/39/14/62/371391462.db2.gz SOYNRCCUKLNZDU-HUUCEWRRSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nccs1 ZINC000135113125 371391465 /nfs/dbraw/zinc/39/14/65/371391465.db2.gz SOYNRCCUKLNZDU-HUUCEWRRSA-N 1 2 283.400 3.415 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCC1(F)F ZINC000289904589 371850336 /nfs/dbraw/zinc/85/03/36/371850336.db2.gz SPCHFQLVZVRCFT-SNVBAGLBSA-N 1 2 268.282 3.174 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCC1(F)F ZINC000289904589 371850338 /nfs/dbraw/zinc/85/03/38/371850338.db2.gz SPCHFQLVZVRCFT-SNVBAGLBSA-N 1 2 268.282 3.174 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CC2)s1 ZINC000290471146 371996786 /nfs/dbraw/zinc/99/67/86/371996786.db2.gz NMWDJYSBLOYJPE-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)s1 ZINC000290471146 371996793 /nfs/dbraw/zinc/99/67/93/371996793.db2.gz NMWDJYSBLOYJPE-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000158626159 372075705 /nfs/dbraw/zinc/07/57/05/372075705.db2.gz JFGYHINYMPMKKN-OAHLLOKOSA-N 1 2 291.439 3.312 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000428855364 372271403 /nfs/dbraw/zinc/27/14/03/372271403.db2.gz HYTOUYKTEGMPJM-OAHLLOKOSA-N 1 2 262.397 3.270 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000428855364 372271410 /nfs/dbraw/zinc/27/14/10/372271410.db2.gz HYTOUYKTEGMPJM-OAHLLOKOSA-N 1 2 262.397 3.270 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000293014608 372278714 /nfs/dbraw/zinc/27/87/14/372278714.db2.gz DXIMJULKNLYMSO-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000293014608 372278720 /nfs/dbraw/zinc/27/87/20/372278720.db2.gz DXIMJULKNLYMSO-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681074 372375920 /nfs/dbraw/zinc/37/59/20/372375920.db2.gz JSCLETWVTVOKFL-FFSVYQOJSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681074 372375925 /nfs/dbraw/zinc/37/59/25/372375925.db2.gz JSCLETWVTVOKFL-FFSVYQOJSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1C[N@H+](C/C=C/c2ccncc2)C[C@H]1c1ccccc1 ZINC000430127540 372384723 /nfs/dbraw/zinc/38/47/23/372384723.db2.gz RQTCBWAASPBKKU-HKVCONOFSA-N 1 2 289.382 3.334 20 30 CGEDLO N#C[C@@H]1C[N@@H+](C/C=C/c2ccncc2)C[C@H]1c1ccccc1 ZINC000430127540 372384730 /nfs/dbraw/zinc/38/47/30/372384730.db2.gz RQTCBWAASPBKKU-HKVCONOFSA-N 1 2 289.382 3.334 20 30 CGEDLO C=CCOCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000293459200 372388618 /nfs/dbraw/zinc/38/86/18/372388618.db2.gz LBELPBVDVNIVOG-UHFFFAOYSA-N 1 2 261.321 3.077 20 30 CGEDLO CC(C)c1nnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000171146355 372721319 /nfs/dbraw/zinc/72/13/19/372721319.db2.gz BRAGZYWDDBHGSO-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000171146355 372721325 /nfs/dbraw/zinc/72/13/25/372721325.db2.gz BRAGZYWDDBHGSO-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000295462851 372791538 /nfs/dbraw/zinc/79/15/38/372791538.db2.gz QGEVVNIKCKMORO-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000295462851 372791544 /nfs/dbraw/zinc/79/15/44/372791544.db2.gz QGEVVNIKCKMORO-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000435603578 372784848 /nfs/dbraw/zinc/78/48/48/372784848.db2.gz KBNOBMFGVMEDLX-RHSMWYFYSA-N 1 2 268.360 3.050 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000438299421 372922240 /nfs/dbraw/zinc/92/22/40/372922240.db2.gz LZYZRROSFJQRNR-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO COc1cc(C[N@H+](CC(F)F)CC2CCC2)ccc1C#N ZINC000442874091 373114153 /nfs/dbraw/zinc/11/41/53/373114153.db2.gz ATZXJGCLGXGNDQ-UHFFFAOYSA-N 1 2 294.345 3.434 20 30 CGEDLO COc1cc(C[N@@H+](CC(F)F)CC2CCC2)ccc1C#N ZINC000442874091 373114161 /nfs/dbraw/zinc/11/41/61/373114161.db2.gz ATZXJGCLGXGNDQ-UHFFFAOYSA-N 1 2 294.345 3.434 20 30 CGEDLO C=CC[N@H+](CC(=C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444668599 373227734 /nfs/dbraw/zinc/22/77/34/373227734.db2.gz CMSDUQOKQVWCLR-QGZVFWFLSA-N 1 2 287.403 3.225 20 30 CGEDLO C=CC[N@@H+](CC(=C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444668599 373227743 /nfs/dbraw/zinc/22/77/43/373227743.db2.gz CMSDUQOKQVWCLR-QGZVFWFLSA-N 1 2 287.403 3.225 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccnc2)o1 ZINC000174345697 373297047 /nfs/dbraw/zinc/29/70/47/373297047.db2.gz IYXGNBYLTXZNQZ-GOSISDBHSA-N 1 2 289.338 3.425 20 30 CGEDLO C=C(Cl)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000298683504 373382380 /nfs/dbraw/zinc/38/23/80/373382380.db2.gz ZBGMZXSQVLEOME-GFCCVEGCSA-N 1 2 253.777 3.183 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000447046309 373396453 /nfs/dbraw/zinc/39/64/53/373396453.db2.gz ZCWWDWPOJYYJNL-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000447046309 373396456 /nfs/dbraw/zinc/39/64/56/373396456.db2.gz ZCWWDWPOJYYJNL-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCCCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000175364645 373457597 /nfs/dbraw/zinc/45/75/97/373457597.db2.gz WKSJHEQOMZEZMP-UHFFFAOYSA-N 1 2 269.348 3.382 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175372809 373459306 /nfs/dbraw/zinc/45/93/06/373459306.db2.gz VRHUQLMJKNTKRG-GTNSWQLSSA-N 1 2 271.813 3.169 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175372809 373459315 /nfs/dbraw/zinc/45/93/15/373459315.db2.gz VRHUQLMJKNTKRG-GTNSWQLSSA-N 1 2 271.813 3.169 20 30 CGEDLO Cc1ccn2c(CNc3cccc(C#N)c3)c[nH+]c2c1 ZINC000179550922 373886420 /nfs/dbraw/zinc/88/64/20/373886420.db2.gz RXFYICUKEZHHPQ-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C#CCSCCNc1cc[nH+]c2c(OC)cccc12 ZINC000302569124 373898055 /nfs/dbraw/zinc/89/80/55/373898055.db2.gz YDJRDJULHWBOCG-UHFFFAOYSA-N 1 2 272.373 3.022 20 30 CGEDLO CCN(CC)c1ccc(Nc2c(C#N)cccc2C#N)c[nH+]1 ZINC000302488360 373877370 /nfs/dbraw/zinc/87/73/70/373877370.db2.gz YIJDCZOQWNXQRM-UHFFFAOYSA-N 1 2 291.358 3.415 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)ccc1F ZINC000179775146 373915204 /nfs/dbraw/zinc/91/52/04/373915204.db2.gz ISIRPRWNMNJARU-ABAIWWIYSA-N 1 2 277.318 3.449 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179789435 373917879 /nfs/dbraw/zinc/91/78/79/373917879.db2.gz ODSQMTBDEGCGIF-AWEZNQCLSA-N 1 2 283.375 3.347 20 30 CGEDLO C=CCC[C@H](CCC)[NH2+]Cc1[nH]ncc1Br ZINC000309938925 374204217 /nfs/dbraw/zinc/20/42/17/374204217.db2.gz ATIYOSOCLAZYGR-JTQLQIEISA-N 1 2 286.217 3.397 20 30 CGEDLO C=CCC[C@@H](CCC)[NH2+]Cc1[nH]ncc1Br ZINC000309938926 374204471 /nfs/dbraw/zinc/20/44/71/374204471.db2.gz ATIYOSOCLAZYGR-SNVBAGLBSA-N 1 2 286.217 3.397 20 30 CGEDLO COc1cc(C#N)ccc1OCc1ccc(C)[nH+]c1C ZINC000185273457 374625451 /nfs/dbraw/zinc/62/54/51/374625451.db2.gz CCKPJLXHWUTCGK-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO C#CCC(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000186102899 374798369 /nfs/dbraw/zinc/79/83/69/374798369.db2.gz ZZHZFLCXFYDVDZ-UHFFFAOYSA-N 1 2 295.386 3.439 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000481351799 375163921 /nfs/dbraw/zinc/16/39/21/375163921.db2.gz RZLSNJYGXHPLQH-INIZCTEOSA-N 1 2 277.795 3.048 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000481351799 375163924 /nfs/dbraw/zinc/16/39/24/375163924.db2.gz RZLSNJYGXHPLQH-INIZCTEOSA-N 1 2 277.795 3.048 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)OC ZINC000489477486 375317915 /nfs/dbraw/zinc/31/79/15/375317915.db2.gz OPUYPYWDRNGSSY-AWEZNQCLSA-N 1 2 277.339 3.153 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(=O)OC ZINC000489477486 375317922 /nfs/dbraw/zinc/31/79/22/375317922.db2.gz OPUYPYWDRNGSSY-AWEZNQCLSA-N 1 2 277.339 3.153 20 30 CGEDLO Cc1ccc(NC(=O)/C=C/c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000492084716 375413745 /nfs/dbraw/zinc/41/37/45/375413745.db2.gz BHXGTFQUEGUCIE-CSKARUKUSA-N 1 2 277.327 3.222 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773398 375452267 /nfs/dbraw/zinc/45/22/67/375452267.db2.gz VINIGFUDMJAZMN-HJWRWDBZSA-N 1 2 281.359 3.028 20 30 CGEDLO C=CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492890310 375455954 /nfs/dbraw/zinc/45/59/54/375455954.db2.gz BHWSNCQNTXPMRL-OFAQMXQXSA-N 1 2 281.359 3.247 20 30 CGEDLO C[N@H+](Cc1ccc(Br)c(F)c1)CC1(C#N)CC1 ZINC000494240907 375486230 /nfs/dbraw/zinc/48/62/30/375486230.db2.gz HWBYRIZMCGAEJJ-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)CC1(C#N)CC1 ZINC000494240907 375486240 /nfs/dbraw/zinc/48/62/40/375486240.db2.gz HWBYRIZMCGAEJJ-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2Cl)cc1C#N ZINC000191345280 375613032 /nfs/dbraw/zinc/61/30/32/375613032.db2.gz NDWUIXJETZSNHH-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2Cl)cc1C#N ZINC000191345280 375613037 /nfs/dbraw/zinc/61/30/37/375613037.db2.gz NDWUIXJETZSNHH-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO COc1ccc(C[NH2+]CCC#N)c(OC2CCCC2)c1 ZINC000516453317 375820927 /nfs/dbraw/zinc/82/09/27/375820927.db2.gz GEDYRQXIZOKBMT-UHFFFAOYSA-N 1 2 274.364 3.020 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000514796372 375806342 /nfs/dbraw/zinc/80/63/42/375806342.db2.gz OZMXHMKIXOBBGQ-ZDUSSCGKSA-N 1 2 291.351 3.164 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000336605330 375869162 /nfs/dbraw/zinc/86/91/62/375869162.db2.gz BETXDOVKIUKLJQ-UHFFFAOYSA-N 1 2 294.358 3.234 20 30 CGEDLO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000337522374 376227207 /nfs/dbraw/zinc/22/72/07/376227207.db2.gz PYOPFBLSEVYEIH-CQSZACIVSA-N 1 2 264.319 3.372 20 30 CGEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000337522374 376227213 /nfs/dbraw/zinc/22/72/13/376227213.db2.gz PYOPFBLSEVYEIH-CQSZACIVSA-N 1 2 264.319 3.372 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000264487258 190113603 /nfs/dbraw/zinc/11/36/03/190113603.db2.gz RQVZUCOVLVXACG-CQSZACIVSA-N 1 2 288.391 3.064 20 30 CGEDLO C=C(CC)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339807124 376853827 /nfs/dbraw/zinc/85/38/27/376853827.db2.gz BTRKDEWLYAMFBB-UHFFFAOYSA-N 1 2 253.349 3.154 20 30 CGEDLO C=C(CC)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000339807124 376853836 /nfs/dbraw/zinc/85/38/36/376853836.db2.gz BTRKDEWLYAMFBB-UHFFFAOYSA-N 1 2 253.349 3.154 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000556620065 376865799 /nfs/dbraw/zinc/86/57/99/376865799.db2.gz STZVDUNFEJVUMV-OAHLLOKOSA-N 1 2 284.403 3.028 20 30 CGEDLO C=CCCOCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000161519565 542158862 /nfs/dbraw/zinc/15/88/62/542158862.db2.gz FCDYWAMIKZZZNK-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](C#N)CCC#N)o1 ZINC000248636246 377371253 /nfs/dbraw/zinc/37/12/53/377371253.db2.gz VTFBNHNYBQAGIZ-HIFRSBDPSA-N 1 2 287.363 3.006 20 30 CGEDLO COCc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C#N)CCC#N)o1 ZINC000248636246 377371261 /nfs/dbraw/zinc/37/12/61/377371261.db2.gz VTFBNHNYBQAGIZ-HIFRSBDPSA-N 1 2 287.363 3.006 20 30 CGEDLO CC1(C#N)C[NH+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000564054280 377474051 /nfs/dbraw/zinc/47/40/51/377474051.db2.gz CKCOJMNRFWBNAT-UHFFFAOYSA-N 1 2 260.303 3.201 20 30 CGEDLO CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cn1 ZINC000519059353 249291855 /nfs/dbraw/zinc/29/18/55/249291855.db2.gz FUBKAEWYQXVTFW-LBPRGKRZSA-N 1 2 286.354 3.326 20 30 CGEDLO Cc1cn2cc(NC(=O)C3(C#N)CCCCC3)ccc2[nH+]1 ZINC000263886396 377952365 /nfs/dbraw/zinc/95/23/65/377952365.db2.gz YIYKWEAGABTZQW-UHFFFAOYSA-N 1 2 282.347 3.055 20 30 CGEDLO N#CCC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000264189615 377962602 /nfs/dbraw/zinc/96/26/02/377962602.db2.gz FASJLRRCZJKUSL-UHFFFAOYSA-N 1 2 269.323 3.310 20 30 CGEDLO N#CCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000264189615 377962604 /nfs/dbraw/zinc/96/26/04/377962604.db2.gz FASJLRRCZJKUSL-UHFFFAOYSA-N 1 2 269.323 3.310 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000264430831 377985109 /nfs/dbraw/zinc/98/51/09/377985109.db2.gz CISXBOGPBHKHAP-UHFFFAOYSA-N 1 2 273.311 3.028 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000264712410 377991381 /nfs/dbraw/zinc/99/13/81/377991381.db2.gz LHAIDKNGGXRIRZ-OAHLLOKOSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000264712410 377991386 /nfs/dbraw/zinc/99/13/86/377991386.db2.gz LHAIDKNGGXRIRZ-OAHLLOKOSA-N 1 2 296.361 3.260 20 30 CGEDLO C[N@H+](CCOc1ccccc1Cl)C[C@@H](C#N)CCC#N ZINC000267455220 378038742 /nfs/dbraw/zinc/03/87/42/378038742.db2.gz OMTGPOTUJKSPNC-CYBMUJFWSA-N 1 2 291.782 3.094 20 30 CGEDLO C[N@@H+](CCOc1ccccc1Cl)C[C@@H](C#N)CCC#N ZINC000267455220 378038748 /nfs/dbraw/zinc/03/87/48/378038748.db2.gz OMTGPOTUJKSPNC-CYBMUJFWSA-N 1 2 291.782 3.094 20 30 CGEDLO COCCC1(C/[NH+]=C/c2cccc(O)c2O)CCCC1 ZINC000268429672 378058519 /nfs/dbraw/zinc/05/85/19/378058519.db2.gz IAMYVEGUIJOUMF-GZTJUZNOSA-N 1 2 277.364 3.114 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000268564458 378074921 /nfs/dbraw/zinc/07/49/21/378074921.db2.gz PTLLCPXECSXLGO-CJNGLKHVSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000268564458 378074923 /nfs/dbraw/zinc/07/49/23/378074923.db2.gz PTLLCPXECSXLGO-CJNGLKHVSA-N 1 2 295.810 3.040 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)s1 ZINC000344432943 378171138 /nfs/dbraw/zinc/17/11/38/378171138.db2.gz MDSLMNLROQLBTN-UHFFFAOYSA-N 1 2 275.402 3.243 20 30 CGEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000269835985 378271490 /nfs/dbraw/zinc/27/14/90/378271490.db2.gz ARTWRUAYNDERLP-CQSZACIVSA-N 1 2 298.777 3.297 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1ccc(C)[nH+]c1C)OCC ZINC000270152265 378314804 /nfs/dbraw/zinc/31/48/04/378314804.db2.gz HYSVISHKNMTKNQ-AWEZNQCLSA-N 1 2 262.353 3.008 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000271082725 378451140 /nfs/dbraw/zinc/45/11/40/378451140.db2.gz YSNOFVLUOUUEDJ-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000271082725 378451146 /nfs/dbraw/zinc/45/11/46/378451146.db2.gz YSNOFVLUOUUEDJ-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO C=C1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000271146242 378463301 /nfs/dbraw/zinc/46/33/01/378463301.db2.gz AMJFIBOWTKAEGC-CYBMUJFWSA-N 1 2 264.394 3.147 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2([C@@H](O)C(C)C)CC2)c1O ZINC000271787375 378504728 /nfs/dbraw/zinc/50/47/28/378504728.db2.gz IGBORNCLQOHKIN-HKJBKDEOSA-N 1 2 291.391 3.007 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccns1 ZINC000637872444 378609331 /nfs/dbraw/zinc/60/93/31/378609331.db2.gz ZITQZIMSDBINMY-UHFFFAOYSA-N 1 2 250.392 3.393 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccns1 ZINC000637872444 378609333 /nfs/dbraw/zinc/60/93/33/378609333.db2.gz ZITQZIMSDBINMY-UHFFFAOYSA-N 1 2 250.392 3.393 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000638616363 378852964 /nfs/dbraw/zinc/85/29/64/378852964.db2.gz LPRCUWSZCMVTHN-UHFFFAOYSA-N 1 2 284.359 3.407 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111902 379036676 /nfs/dbraw/zinc/03/66/76/379036676.db2.gz KQIINMAMSNSBQY-LSDHHAIUSA-N 1 2 274.412 3.467 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111902 379036678 /nfs/dbraw/zinc/03/66/78/379036678.db2.gz KQIINMAMSNSBQY-LSDHHAIUSA-N 1 2 274.412 3.467 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000279372088 379418971 /nfs/dbraw/zinc/41/89/71/379418971.db2.gz XFGVEAWDPLVDDF-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000279372088 379418983 /nfs/dbraw/zinc/41/89/83/379418983.db2.gz XFGVEAWDPLVDDF-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000639846459 379609380 /nfs/dbraw/zinc/60/93/80/379609380.db2.gz SSWKDQYAGRLCBP-INIZCTEOSA-N 1 2 297.789 3.319 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000639846459 379609388 /nfs/dbraw/zinc/60/93/88/379609388.db2.gz SSWKDQYAGRLCBP-INIZCTEOSA-N 1 2 297.789 3.319 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000352463253 379825550 /nfs/dbraw/zinc/82/55/50/379825550.db2.gz IQBKZLPVQRHHGA-UHFFFAOYSA-N 1 2 284.281 3.116 20 30 CGEDLO C=CCCCCn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000640938512 379878877 /nfs/dbraw/zinc/87/88/77/379878877.db2.gz BLLFKJCCEPPOKR-UHFFFAOYSA-N 1 2 295.390 3.341 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1nc(C#N)cs1)c1nc(C)cs1 ZINC000352808709 379973803 /nfs/dbraw/zinc/97/38/03/379973803.db2.gz DAZHNTHEXKOSOC-CYBMUJFWSA-N 1 2 292.433 3.195 20 30 CGEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(C(C)C)cc2)nn1 ZINC000641131920 379949817 /nfs/dbraw/zinc/94/98/17/379949817.db2.gz YEVRNKJRRNMYGB-OAHLLOKOSA-N 1 2 296.418 3.124 20 30 CGEDLO C=CCN(Cc1cn2cc(C)ccc2[nH+]1)CC(F)(F)F ZINC000267604082 190341050 /nfs/dbraw/zinc/34/10/50/190341050.db2.gz FXAMLZGSKBOKFO-UHFFFAOYSA-N 1 2 283.297 3.193 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1F ZINC000352824915 379985121 /nfs/dbraw/zinc/98/51/21/379985121.db2.gz RLZAAGCJTIBORF-QMMMGPOBSA-N 1 2 279.315 3.144 20 30 CGEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1 ZINC000352837136 379992353 /nfs/dbraw/zinc/99/23/53/379992353.db2.gz NXGDHEUOULDGKX-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@H+](C)[C@@H](C)CCC#N)cs1 ZINC000411287109 380139927 /nfs/dbraw/zinc/13/99/27/380139927.db2.gz AITXHOORKQUGCO-RYUDHWBXSA-N 1 2 281.425 3.365 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)[C@@H](C)CCC#N)cs1 ZINC000411287109 380139935 /nfs/dbraw/zinc/13/99/35/380139935.db2.gz AITXHOORKQUGCO-RYUDHWBXSA-N 1 2 281.425 3.365 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1nnc(CC)o1 ZINC000411143355 380132182 /nfs/dbraw/zinc/13/21/82/380132182.db2.gz YSDGWOKJXHGERA-LLVKDONJSA-N 1 2 277.393 3.443 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1nnc(CC)o1 ZINC000411143355 380132184 /nfs/dbraw/zinc/13/21/84/380132184.db2.gz YSDGWOKJXHGERA-LLVKDONJSA-N 1 2 277.393 3.443 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2C(F)F)ccc1C#N ZINC000353194117 380161681 /nfs/dbraw/zinc/16/16/81/380161681.db2.gz OAWJSGPEHONDGS-ZDUSSCGKSA-N 1 2 250.292 3.096 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2C(F)F)ccc1C#N ZINC000353194117 380161684 /nfs/dbraw/zinc/16/16/84/380161684.db2.gz OAWJSGPEHONDGS-ZDUSSCGKSA-N 1 2 250.292 3.096 20 30 CGEDLO CCC1(c2ccccc2)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000414135766 380192006 /nfs/dbraw/zinc/19/20/06/380192006.db2.gz DTZVLSFKJWDISH-OAHLLOKOSA-N 1 2 267.376 3.094 20 30 CGEDLO Cc1[nH]ncc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353911787 380229210 /nfs/dbraw/zinc/22/92/10/380229210.db2.gz CQHMSPSNZZUYIG-INIZCTEOSA-N 1 2 268.364 3.243 20 30 CGEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OC ZINC000354034325 380290598 /nfs/dbraw/zinc/29/05/98/380290598.db2.gz QJAPWSRAWFNOKD-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OC ZINC000354034325 380290604 /nfs/dbraw/zinc/29/06/04/380290604.db2.gz QJAPWSRAWFNOKD-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1CC1 ZINC000355700381 380754578 /nfs/dbraw/zinc/75/45/78/380754578.db2.gz COXULIHPUAWEAU-SNVBAGLBSA-N 1 2 298.839 3.057 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1CC1 ZINC000355700381 380754581 /nfs/dbraw/zinc/75/45/81/380754581.db2.gz COXULIHPUAWEAU-SNVBAGLBSA-N 1 2 298.839 3.057 20 30 CGEDLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1C ZINC000421336466 380878917 /nfs/dbraw/zinc/87/89/17/380878917.db2.gz WOHJIQBHZXWYMY-JTQLQIEISA-N 1 2 288.782 3.104 20 30 CGEDLO C=C(CC)C[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000358494544 381311750 /nfs/dbraw/zinc/31/17/50/381311750.db2.gz CWKAISGLSCHUAU-CYBMUJFWSA-N 1 2 281.400 3.201 20 30 CGEDLO C=C(CC)C[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000358494544 381311756 /nfs/dbraw/zinc/31/17/56/381311756.db2.gz CWKAISGLSCHUAU-CYBMUJFWSA-N 1 2 281.400 3.201 20 30 CGEDLO C=CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000204349086 542283594 /nfs/dbraw/zinc/28/35/94/542283594.db2.gz NFGOGMZEPCZQJW-UHFFFAOYSA-N 1 2 258.184 3.055 20 30 CGEDLO C=CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000204349086 542283597 /nfs/dbraw/zinc/28/35/97/542283597.db2.gz NFGOGMZEPCZQJW-UHFFFAOYSA-N 1 2 258.184 3.055 20 30 CGEDLO C=CCCCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000740873060 572463719 /nfs/dbraw/zinc/46/37/19/572463719.db2.gz ZXGCVYNKQBPZOZ-UHFFFAOYSA-N 1 2 298.770 3.170 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)o1 ZINC000367125342 382334158 /nfs/dbraw/zinc/33/41/58/382334158.db2.gz DXMJKMATKLKNQP-INIZCTEOSA-N 1 2 288.297 3.361 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)o1 ZINC000367125342 382334162 /nfs/dbraw/zinc/33/41/62/382334162.db2.gz DXMJKMATKLKNQP-INIZCTEOSA-N 1 2 288.297 3.361 20 30 CGEDLO C=Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000365792296 382295212 /nfs/dbraw/zinc/29/52/12/382295212.db2.gz BOJBKIQZONBNEE-ZWKOTPCHSA-N 1 2 292.386 3.255 20 30 CGEDLO C=Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000365792296 382295215 /nfs/dbraw/zinc/29/52/15/382295215.db2.gz BOJBKIQZONBNEE-ZWKOTPCHSA-N 1 2 292.386 3.255 20 30 CGEDLO Cc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c(C)[nH+]1 ZINC000335308887 208159240 /nfs/dbraw/zinc/15/92/40/208159240.db2.gz IJXYFCSTVCXSRP-UHFFFAOYSA-N 1 2 285.734 3.476 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)s1 ZINC000350557478 219036522 /nfs/dbraw/zinc/03/65/22/219036522.db2.gz MPZFCSVALVFIKZ-OAHLLOKOSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)s1 ZINC000350557478 219036525 /nfs/dbraw/zinc/03/65/25/219036525.db2.gz MPZFCSVALVFIKZ-OAHLLOKOSA-N 1 2 298.411 3.063 20 30 CGEDLO CC(=O)Nc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101266 392235755 /nfs/dbraw/zinc/23/57/55/392235755.db2.gz BZOCFRLSCWWCMA-UHFFFAOYSA-N 1 2 287.407 3.407 20 30 CGEDLO CC(=O)Nc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101266 392235758 /nfs/dbraw/zinc/23/57/58/392235758.db2.gz BZOCFRLSCWWCMA-UHFFFAOYSA-N 1 2 287.407 3.407 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)c(F)c1 ZINC000361861273 392347462 /nfs/dbraw/zinc/34/74/62/392347462.db2.gz YKJDPUNNIRQRMA-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)c(F)c1 ZINC000361861273 392347465 /nfs/dbraw/zinc/34/74/65/392347465.db2.gz YKJDPUNNIRQRMA-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000289152999 392415227 /nfs/dbraw/zinc/41/52/27/392415227.db2.gz ZIRDJTQEEOEVDF-INIZCTEOSA-N 1 2 282.347 3.162 20 30 CGEDLO CC(C)CCN(CCC#N)Cc1[nH+]ccn1C(C)C ZINC000173539156 392626779 /nfs/dbraw/zinc/62/67/79/392626779.db2.gz MRPOVULFBYVMPP-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373002162 392655390 /nfs/dbraw/zinc/65/53/90/392655390.db2.gz ZPMJMTWCYWEIEB-AWEZNQCLSA-N 1 2 294.402 3.284 20 30 CGEDLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](CC)CC#N ZINC000519619026 392875096 /nfs/dbraw/zinc/87/50/96/392875096.db2.gz YBTNWVMIROJHIY-OAHLLOKOSA-N 1 2 287.407 3.032 20 30 CGEDLO CCc1nc(C(C)(C)[NH2+]CCC2(C#N)CCCCC2)no1 ZINC000411697471 392984185 /nfs/dbraw/zinc/98/41/85/392984185.db2.gz SLQONQSKOJJAQX-UHFFFAOYSA-N 1 2 290.411 3.321 20 30 CGEDLO N#CC1(CC[N@H+]2CCOC[C@@H]2CC(F)F)CCCCC1 ZINC000411720840 392986574 /nfs/dbraw/zinc/98/65/74/392986574.db2.gz HDUOPTNLWUWUIF-ZDUSSCGKSA-N 1 2 286.366 3.207 20 30 CGEDLO N#CC1(CC[N@@H+]2CCOC[C@@H]2CC(F)F)CCCCC1 ZINC000411720840 392986577 /nfs/dbraw/zinc/98/65/77/392986577.db2.gz HDUOPTNLWUWUIF-ZDUSSCGKSA-N 1 2 286.366 3.207 20 30 CGEDLO N#CCCSCc1c[nH+]cn1Cc1ccccc1 ZINC000413010752 393016463 /nfs/dbraw/zinc/01/64/63/393016463.db2.gz HJQXWCGIUCTRLU-UHFFFAOYSA-N 1 2 257.362 3.078 20 30 CGEDLO COc1cc(C#N)ccc1NCc1ccc(C)[nH+]c1C ZINC000548139753 393180339 /nfs/dbraw/zinc/18/03/39/393180339.db2.gz VFUMFBHKLOPBKF-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C=CCC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCCC1 ZINC000648884399 393281690 /nfs/dbraw/zinc/28/16/90/393281690.db2.gz XNJDALOPKKGSCB-UHFFFAOYSA-N 1 2 298.430 3.255 20 30 CGEDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nc(C#N)cs1)CC2 ZINC000356444317 393446338 /nfs/dbraw/zinc/44/63/38/393446338.db2.gz YEQVEAJPJICORV-UHFFFAOYSA-N 1 2 283.400 3.190 20 30 CGEDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nc(C#N)cs1)CC2 ZINC000356444317 393446345 /nfs/dbraw/zinc/44/63/45/393446345.db2.gz YEQVEAJPJICORV-UHFFFAOYSA-N 1 2 283.400 3.190 20 30 CGEDLO C=C(C)C[N@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649595749 393507648 /nfs/dbraw/zinc/50/76/48/393507648.db2.gz XYQGGVFXKOYXNM-UHFFFAOYSA-N 1 2 281.403 3.408 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649595749 393507651 /nfs/dbraw/zinc/50/76/51/393507651.db2.gz XYQGGVFXKOYXNM-UHFFFAOYSA-N 1 2 281.403 3.408 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000359876717 393557042 /nfs/dbraw/zinc/55/70/42/393557042.db2.gz OZTNIWMKPUETQC-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1F ZINC000359876717 393557044 /nfs/dbraw/zinc/55/70/44/393557044.db2.gz OZTNIWMKPUETQC-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc(C#N)c1F ZINC000359876932 393557078 /nfs/dbraw/zinc/55/70/78/393557078.db2.gz PVVVBDZQEUMJEO-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(C#N)c1F ZINC000359876932 393557080 /nfs/dbraw/zinc/55/70/80/393557080.db2.gz PVVVBDZQEUMJEO-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO CC[C@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@H](CC)O1 ZINC000420966353 393561744 /nfs/dbraw/zinc/56/17/44/393561744.db2.gz ZLZINLQWZPWKTK-HOTGVXAUSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)cc(C#N)n1 ZINC000361073292 393666031 /nfs/dbraw/zinc/66/60/31/393666031.db2.gz JVCBHXFNJHULJH-UHFFFAOYSA-N 1 2 289.342 3.264 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000442679659 393738370 /nfs/dbraw/zinc/73/83/70/393738370.db2.gz OIQMNHWBESFLLJ-QGZVFWFLSA-N 1 2 283.375 3.295 20 30 CGEDLO CC(C)([NH2+]Cc1ccccc1C#N)c1ccccc1[N+](=O)[O-] ZINC000492193044 393701856 /nfs/dbraw/zinc/70/18/56/393701856.db2.gz LTVVUUJNFIMPHM-UHFFFAOYSA-N 1 2 295.342 3.491 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000453250739 394221061 /nfs/dbraw/zinc/22/10/61/394221061.db2.gz SOKIDLUMOWLVFY-STQMWFEESA-N 1 2 250.292 3.179 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668824605 543067150 /nfs/dbraw/zinc/06/71/50/543067150.db2.gz RFRWUHAUDCTSCU-MRXNPFEDSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000668824605 543067151 /nfs/dbraw/zinc/06/71/51/543067151.db2.gz RFRWUHAUDCTSCU-MRXNPFEDSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000676437286 543397606 /nfs/dbraw/zinc/39/76/06/543397606.db2.gz AFOASIOOBVONCU-QGZVFWFLSA-N 1 2 297.402 3.487 20 30 CGEDLO CCC#C[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000677478000 543450376 /nfs/dbraw/zinc/45/03/76/543450376.db2.gz IJLYOQPUKZGEPB-QCSXQHJISA-N 1 2 282.431 3.119 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c(F)c1 ZINC000285515310 196310353 /nfs/dbraw/zinc/31/03/53/196310353.db2.gz YPTHJWIUXPTSRK-MRXNPFEDSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c(F)c1 ZINC000285515310 196310354 /nfs/dbraw/zinc/31/03/54/196310354.db2.gz YPTHJWIUXPTSRK-MRXNPFEDSA-N 1 2 284.338 3.148 20 30 CGEDLO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1F ZINC000679217930 543600112 /nfs/dbraw/zinc/60/01/12/543600112.db2.gz BNGCIVIANINNPS-DOMZBBRYSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1F ZINC000679217930 543600113 /nfs/dbraw/zinc/60/01/13/543600113.db2.gz BNGCIVIANINNPS-DOMZBBRYSA-N 1 2 265.759 3.371 20 30 CGEDLO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000130434166 287355545 /nfs/dbraw/zinc/35/55/45/287355545.db2.gz HPKPQQPBVAKPFJ-UHFFFAOYSA-N 1 2 270.332 3.182 20 30 CGEDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000130434166 287355547 /nfs/dbraw/zinc/35/55/47/287355547.db2.gz HPKPQQPBVAKPFJ-UHFFFAOYSA-N 1 2 270.332 3.182 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329024069 227261426 /nfs/dbraw/zinc/26/14/26/227261426.db2.gz USZISTGLQRCXTG-RRFJBIMHSA-N 1 2 287.407 3.497 20 30 CGEDLO C=CCCO[C@@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980402 419033991 /nfs/dbraw/zinc/03/39/91/419033991.db2.gz CUZAKYWDQUJUPB-LBPRGKRZSA-N 1 2 273.336 3.018 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCc3c(C)cc(C)cc3C2)nn1 ZINC000653623306 419061747 /nfs/dbraw/zinc/06/17/47/419061747.db2.gz AMKDZBXFTUFPON-UHFFFAOYSA-N 1 2 296.418 3.029 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCc3c(C)cc(C)cc3C2)nn1 ZINC000653623306 419061751 /nfs/dbraw/zinc/06/17/51/419061751.db2.gz AMKDZBXFTUFPON-UHFFFAOYSA-N 1 2 296.418 3.029 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000661380977 419255610 /nfs/dbraw/zinc/25/56/10/419255610.db2.gz SDIDVMNVTOTWJU-GFCCVEGCSA-N 1 2 287.329 3.234 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000661380977 419255615 /nfs/dbraw/zinc/25/56/15/419255615.db2.gz SDIDVMNVTOTWJU-GFCCVEGCSA-N 1 2 287.329 3.234 20 30 CGEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1C1CC1 ZINC000661150580 419235360 /nfs/dbraw/zinc/23/53/60/419235360.db2.gz ORGZUVTWRNAENY-HNNXBMFYSA-N 1 2 299.418 3.248 20 30 CGEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1C1CC1 ZINC000661150580 419235363 /nfs/dbraw/zinc/23/53/63/419235363.db2.gz ORGZUVTWRNAENY-HNNXBMFYSA-N 1 2 299.418 3.248 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nc(C)c[nH]1)c1ccc(F)c(F)c1 ZINC000657437772 419278260 /nfs/dbraw/zinc/27/82/60/419278260.db2.gz VDVXEUICRJMSMY-HNNXBMFYSA-N 1 2 277.318 3.403 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C(F)(F)F)s1)C(C)(C)C ZINC000661759043 419295819 /nfs/dbraw/zinc/29/58/19/419295819.db2.gz YEEWWOBQDYVCGB-UHFFFAOYSA-N 1 2 279.331 3.343 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C(F)(F)F)s1)C(C)(C)C ZINC000661759043 419295820 /nfs/dbraw/zinc/29/58/20/419295820.db2.gz YEEWWOBQDYVCGB-UHFFFAOYSA-N 1 2 279.331 3.343 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356090366 228115729 /nfs/dbraw/zinc/11/57/29/228115729.db2.gz QUAUBSBRIWXYFR-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356090366 228115730 /nfs/dbraw/zinc/11/57/30/228115730.db2.gz QUAUBSBRIWXYFR-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO N#CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000356010529 228084935 /nfs/dbraw/zinc/08/49/35/228084935.db2.gz ZNQPKQFNZQVTNK-UHFFFAOYSA-N 1 2 287.706 3.379 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccn1CC(F)(F)F ZINC000662084957 419334949 /nfs/dbraw/zinc/33/49/49/419334949.db2.gz YPTXYTUDOFJDBS-TXEJJXNPSA-N 1 2 285.313 3.128 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1CC(F)(F)F ZINC000662084957 419334951 /nfs/dbraw/zinc/33/49/51/419334951.db2.gz YPTXYTUDOFJDBS-TXEJJXNPSA-N 1 2 285.313 3.128 20 30 CGEDLO C=C(C)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662199902 419359225 /nfs/dbraw/zinc/35/92/25/419359225.db2.gz FBMVTKFFLSBFFQ-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=C(C)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662199902 419359230 /nfs/dbraw/zinc/35/92/30/419359230.db2.gz FBMVTKFFLSBFFQ-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCC#N)c1C ZINC000078646906 260301377 /nfs/dbraw/zinc/30/13/77/260301377.db2.gz XOLCLQRFJIJQCC-UHFFFAOYSA-N 1 2 258.365 3.160 20 30 CGEDLO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCC#N)c1C ZINC000078646906 260301379 /nfs/dbraw/zinc/30/13/79/260301379.db2.gz XOLCLQRFJIJQCC-UHFFFAOYSA-N 1 2 258.365 3.160 20 30 CGEDLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C)(C#N)CC1 ZINC000408158381 260316438 /nfs/dbraw/zinc/31/64/38/260316438.db2.gz KHLNPGLITKKNON-LLVKDONJSA-N 1 2 276.384 3.054 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(C)C)c1 ZINC000518394531 260397879 /nfs/dbraw/zinc/39/78/79/260397879.db2.gz UZEVYMPHOQAJJK-CQSZACIVSA-N 1 2 273.380 3.030 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H](C#N)CCC#N)C2 ZINC000153214215 261075173 /nfs/dbraw/zinc/07/51/73/261075173.db2.gz AAVLVYBKIKFICZ-OAHLLOKOSA-N 1 2 297.402 3.277 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC000153214215 261075174 /nfs/dbraw/zinc/07/51/74/261075174.db2.gz AAVLVYBKIKFICZ-OAHLLOKOSA-N 1 2 297.402 3.277 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000161910569 261263142 /nfs/dbraw/zinc/26/31/42/261263142.db2.gz XWQYXAYGDPFHTP-NSHDSACASA-N 1 2 286.297 3.318 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000161910569 261263145 /nfs/dbraw/zinc/26/31/45/261263145.db2.gz XWQYXAYGDPFHTP-NSHDSACASA-N 1 2 286.297 3.318 20 30 CGEDLO CCn1cc(C(=O)/C=C/c2ccc(N(C)C(C)C)[nH+]c2)cn1 ZINC000191280308 262190751 /nfs/dbraw/zinc/19/07/51/262190751.db2.gz RRNQBOXQIKHRNQ-SOFGYWHQSA-N 1 2 298.390 3.039 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000191324952 262191253 /nfs/dbraw/zinc/19/12/53/262191253.db2.gz XILMMLAAGBVCAO-UHFFFAOYSA-N 1 2 286.423 3.052 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000191324952 262191255 /nfs/dbraw/zinc/19/12/55/262191255.db2.gz XILMMLAAGBVCAO-UHFFFAOYSA-N 1 2 286.423 3.052 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC2(SC)CCC2)c1 ZINC000193256625 262218795 /nfs/dbraw/zinc/21/87/95/262218795.db2.gz AQWKQBIIULEVMH-OQLLNIDSSA-N 1 2 265.378 3.105 20 30 CGEDLO COc1ccc(OC)c(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000111250326 262258119 /nfs/dbraw/zinc/25/81/19/262258119.db2.gz DEDPVMWOMHBPET-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COc1ccc(OC)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000111250326 262258120 /nfs/dbraw/zinc/25/81/20/262258120.db2.gz DEDPVMWOMHBPET-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1scnc1C1CC1)C1CC1 ZINC000494958442 262273396 /nfs/dbraw/zinc/27/33/96/262273396.db2.gz WACIRCASUHYOMC-JTQLQIEISA-N 1 2 261.394 3.145 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1scnc1C1CC1)C1CC1 ZINC000494958442 262273397 /nfs/dbraw/zinc/27/33/97/262273397.db2.gz WACIRCASUHYOMC-JTQLQIEISA-N 1 2 261.394 3.145 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCSC2)c(O)c1 ZINC000266337441 262915946 /nfs/dbraw/zinc/91/59/46/262915946.db2.gz LRBHVNJCFOSNIN-DGGAMASNSA-N 1 2 265.378 3.105 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271117980 262993038 /nfs/dbraw/zinc/99/30/38/262993038.db2.gz GBOYSLWWXTVVLE-GFCCVEGCSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271117980 262993039 /nfs/dbraw/zinc/99/30/39/262993039.db2.gz GBOYSLWWXTVVLE-GFCCVEGCSA-N 1 2 299.330 3.446 20 30 CGEDLO CC(C)(C#N)CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000272124658 263002478 /nfs/dbraw/zinc/00/24/78/263002478.db2.gz RDFISVASJLNEPU-UHFFFAOYSA-N 1 2 255.321 3.191 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/Cc2cnn(CC)c2)c(O)c1 ZINC000285683216 263094864 /nfs/dbraw/zinc/09/48/64/263094864.db2.gz ZDGJGHVXVXTVRB-GZTJUZNOSA-N 1 2 287.363 3.017 20 30 CGEDLO CCOCC(C)(C)C[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000290004450 263113912 /nfs/dbraw/zinc/11/39/12/263113912.db2.gz VLQIEHGFCXPZQD-VCHYOVAHSA-N 1 2 286.375 3.422 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000292041362 263127528 /nfs/dbraw/zinc/12/75/28/263127528.db2.gz AONDYXGVCDUYGP-UHFFFAOYSA-N 1 2 266.291 3.190 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000292041362 263127529 /nfs/dbraw/zinc/12/75/29/263127529.db2.gz AONDYXGVCDUYGP-UHFFFAOYSA-N 1 2 266.291 3.190 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC000292754619 263134633 /nfs/dbraw/zinc/13/46/33/263134633.db2.gz ITCYPOHPMWARKY-UHFFFAOYSA-N 1 2 288.391 3.384 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC(C)C)c(OC)c1 ZINC000292754619 263134634 /nfs/dbraw/zinc/13/46/34/263134634.db2.gz ITCYPOHPMWARKY-UHFFFAOYSA-N 1 2 288.391 3.384 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OCCC)c1 ZINC000292821441 263135357 /nfs/dbraw/zinc/13/53/57/263135357.db2.gz PYVSMKNMSDVUBU-UHFFFAOYSA-N 1 2 258.365 3.377 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(OCCC)c1 ZINC000292821441 263135358 /nfs/dbraw/zinc/13/53/58/263135358.db2.gz PYVSMKNMSDVUBU-UHFFFAOYSA-N 1 2 258.365 3.377 20 30 CGEDLO Cc1nc(N[C@H]2CC[C@@H](CC#N)C2)c2c([nH+]1)CCCC2 ZINC000294905435 263169033 /nfs/dbraw/zinc/16/90/33/263169033.db2.gz FFTQQGWVMGMHMO-STQMWFEESA-N 1 2 270.380 3.158 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000294962283 263170287 /nfs/dbraw/zinc/17/02/87/263170287.db2.gz LBMJGILFCWRIOK-UHFFFAOYSA-N 1 2 256.349 3.015 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000294962283 263170288 /nfs/dbraw/zinc/17/02/88/263170288.db2.gz LBMJGILFCWRIOK-UHFFFAOYSA-N 1 2 256.349 3.015 20 30 CGEDLO Cc1cnc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000295773815 263182086 /nfs/dbraw/zinc/18/20/86/263182086.db2.gz ALDFKXZZSBEIKF-UHFFFAOYSA-N 1 2 288.376 3.141 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccccc1F ZINC000299158245 263232421 /nfs/dbraw/zinc/23/24/21/263232421.db2.gz JJSFUZUZXXBSBH-LLVKDONJSA-N 1 2 252.358 3.009 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccccc1F ZINC000299158245 263232423 /nfs/dbraw/zinc/23/24/23/263232423.db2.gz JJSFUZUZXXBSBH-LLVKDONJSA-N 1 2 252.358 3.009 20 30 CGEDLO Cc1cc(N[C@@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000164316232 263280504 /nfs/dbraw/zinc/28/05/04/263280504.db2.gz KAJQOLDSJWEKSP-AWEZNQCLSA-N 1 2 252.321 3.242 20 30 CGEDLO C#CCCCCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000120319564 263283008 /nfs/dbraw/zinc/28/30/08/263283008.db2.gz ITHXYCRHIDYBTG-UHFFFAOYSA-N 1 2 274.364 3.391 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000341906230 263364713 /nfs/dbraw/zinc/36/47/13/263364713.db2.gz HUXRLPFYHDOCGK-SNVBAGLBSA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000341906230 263364715 /nfs/dbraw/zinc/36/47/15/263364715.db2.gz HUXRLPFYHDOCGK-SNVBAGLBSA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000328865533 263883143 /nfs/dbraw/zinc/88/31/43/263883143.db2.gz WLIKZLRJMDJDGH-SCRDCRAPSA-N 1 2 288.395 3.460 20 30 CGEDLO C=CCC[C@H](CC)[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280296812 264442144 /nfs/dbraw/zinc/44/21/44/264442144.db2.gz OQNDCCAPIFEFRC-AWEZNQCLSA-N 1 2 290.407 3.277 20 30 CGEDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC1(C#N)CC1 ZINC000343316908 264758045 /nfs/dbraw/zinc/75/80/45/264758045.db2.gz UEJXCSRXCOUMNF-UHFFFAOYSA-N 1 2 284.281 3.321 20 30 CGEDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC1(C#N)CC1 ZINC000343316908 264758048 /nfs/dbraw/zinc/75/80/48/264758048.db2.gz UEJXCSRXCOUMNF-UHFFFAOYSA-N 1 2 284.281 3.321 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@@H](CC)O1 ZINC000398553300 266379984 /nfs/dbraw/zinc/37/99/84/266379984.db2.gz YLSGEGGFQDJQDA-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO C=C[C@@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000362611423 267021396 /nfs/dbraw/zinc/02/13/96/267021396.db2.gz CDBYIQPAOCATJU-CYBMUJFWSA-N 1 2 282.343 3.487 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)C#N ZINC000437400141 267069897 /nfs/dbraw/zinc/06/98/97/267069897.db2.gz IADBOCFICJTXPV-LLVKDONJSA-N 1 2 293.317 3.141 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)C#N ZINC000437400141 267069898 /nfs/dbraw/zinc/06/98/98/267069898.db2.gz IADBOCFICJTXPV-LLVKDONJSA-N 1 2 293.317 3.141 20 30 CGEDLO Cc1cc(N[C@@H](C)CCOCc2ccccc2)c(C#N)c[nH+]1 ZINC000399420336 267301774 /nfs/dbraw/zinc/30/17/74/267301774.db2.gz ZDORDYJMPMXUIL-AWEZNQCLSA-N 1 2 295.386 3.091 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1ccc(F)cc1C#N ZINC000531139910 267318763 /nfs/dbraw/zinc/31/87/63/267318763.db2.gz CSAFDJYIYDYHRQ-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(F)cc1C#N ZINC000531139910 267318767 /nfs/dbraw/zinc/31/87/67/267318767.db2.gz CSAFDJYIYDYHRQ-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336417355 275436321 /nfs/dbraw/zinc/43/63/21/275436321.db2.gz QCJZKTANXXHWTH-OAHLLOKOSA-N 1 2 281.359 3.053 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@@H]2CCC[C@H]2O1 ZINC000428982850 278337082 /nfs/dbraw/zinc/33/70/82/278337082.db2.gz OMDIZUXKZBBYHZ-HZPDHXFCSA-N 1 2 288.366 3.229 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]2CCC[C@H]2O1 ZINC000428982850 278337083 /nfs/dbraw/zinc/33/70/83/278337083.db2.gz OMDIZUXKZBBYHZ-HZPDHXFCSA-N 1 2 288.366 3.229 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000296125309 289182268 /nfs/dbraw/zinc/18/22/68/289182268.db2.gz UBCNMYWQCCCCPP-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000296125309 289182272 /nfs/dbraw/zinc/18/22/72/289182272.db2.gz UBCNMYWQCCCCPP-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO COc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000185721834 327843068 /nfs/dbraw/zinc/84/30/68/327843068.db2.gz IIHSWLDVYHQXDW-NWDGAFQWSA-N 1 2 260.337 3.198 20 30 CGEDLO COc1cc2c(cc1C[N@H+](CCC#N)C(C)C)O[C@@H](C)C2 ZINC000534342140 328049924 /nfs/dbraw/zinc/04/99/24/328049924.db2.gz LECOSDQZVZUDBS-ZDUSSCGKSA-N 1 2 288.391 3.143 20 30 CGEDLO COc1cc2c(cc1C[N@@H+](CCC#N)C(C)C)O[C@@H](C)C2 ZINC000534342140 328049925 /nfs/dbraw/zinc/04/99/25/328049925.db2.gz LECOSDQZVZUDBS-ZDUSSCGKSA-N 1 2 288.391 3.143 20 30 CGEDLO CC(C)n1cnnc1C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411760566 328098897 /nfs/dbraw/zinc/09/88/97/328098897.db2.gz SHFYSOUJHOPRJG-UHFFFAOYSA-N 1 2 289.427 3.155 20 30 CGEDLO CC(C)n1cnnc1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411760566 328098898 /nfs/dbraw/zinc/09/88/98/328098898.db2.gz SHFYSOUJHOPRJG-UHFFFAOYSA-N 1 2 289.427 3.155 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000411765387 328099297 /nfs/dbraw/zinc/09/92/97/328099297.db2.gz BSOULFHBEAESHA-PWSUYJOCSA-N 1 2 278.318 3.110 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000411765387 328099299 /nfs/dbraw/zinc/09/92/99/328099299.db2.gz BSOULFHBEAESHA-PWSUYJOCSA-N 1 2 278.318 3.110 20 30 CGEDLO Cc1cc(Nc2ccc(NC3CCCC3)[nH+]c2)c(C#N)cn1 ZINC000563883813 322014230 /nfs/dbraw/zinc/01/42/30/322014230.db2.gz SLVKTNHMPMHLQE-UHFFFAOYSA-N 1 2 293.374 3.177 20 30 CGEDLO CCOc1ccc(Oc2cc(C[NH2+]CCC#N)ccn2)cc1 ZINC000569351012 327156613 /nfs/dbraw/zinc/15/66/13/327156613.db2.gz INWPDDZIYGSHKD-UHFFFAOYSA-N 1 2 297.358 3.276 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc(-c2ccsc2)oc1C ZINC000578761966 327350271 /nfs/dbraw/zinc/35/02/71/327350271.db2.gz VPRCGQDGGWYZES-GFCCVEGCSA-N 1 2 275.377 3.493 20 30 CGEDLO C=CCOc1ccccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000150903576 327397034 /nfs/dbraw/zinc/39/70/34/327397034.db2.gz LPDRVYRSGQBHBO-UHFFFAOYSA-N 1 2 283.375 3.325 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2noc(CC)n2)cc1 ZINC000377623107 329021304 /nfs/dbraw/zinc/02/13/04/329021304.db2.gz ZMUMFQCAPSKXQS-MRXNPFEDSA-N 1 2 295.386 3.341 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2noc(CC)n2)cc1 ZINC000377623107 329021305 /nfs/dbraw/zinc/02/13/05/329021305.db2.gz ZMUMFQCAPSKXQS-MRXNPFEDSA-N 1 2 295.386 3.341 20 30 CGEDLO C=CCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000175399317 329165388 /nfs/dbraw/zinc/16/53/88/329165388.db2.gz RSVWXVQLZQGLFI-UHFFFAOYSA-N 1 2 255.321 3.167 20 30 CGEDLO C[N@H+](CCC#N)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000177189367 329181723 /nfs/dbraw/zinc/18/17/23/329181723.db2.gz NCQCMCOAUOWJKJ-UHFFFAOYSA-N 1 2 293.370 3.284 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000177189367 329181724 /nfs/dbraw/zinc/18/17/24/329181724.db2.gz NCQCMCOAUOWJKJ-UHFFFAOYSA-N 1 2 293.370 3.284 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185327651 329272889 /nfs/dbraw/zinc/27/28/89/329272889.db2.gz JPOGTRRIIMEWIL-QWHCGFSZSA-N 1 2 289.329 3.198 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185327651 329272891 /nfs/dbraw/zinc/27/28/91/329272891.db2.gz JPOGTRRIIMEWIL-QWHCGFSZSA-N 1 2 289.329 3.198 20 30 CGEDLO Cn1cc[nH+]c1CNc1ccccc1C#Cc1ccccc1 ZINC000124733353 329573234 /nfs/dbraw/zinc/57/32/34/329573234.db2.gz NGZHHDYKYDNLNV-UHFFFAOYSA-N 1 2 287.366 3.432 20 30 CGEDLO C=C(C)CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421227756 329809811 /nfs/dbraw/zinc/80/98/11/329809811.db2.gz QNMIWIYACKZOHE-UHFFFAOYSA-N 1 2 277.433 3.328 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000527623553 330266108 /nfs/dbraw/zinc/26/61/08/330266108.db2.gz VLKLSWQTOIWDRQ-UHFFFAOYSA-N 1 2 291.398 3.010 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000527623553 330266109 /nfs/dbraw/zinc/26/61/09/330266109.db2.gz VLKLSWQTOIWDRQ-UHFFFAOYSA-N 1 2 291.398 3.010 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000533138783 330350370 /nfs/dbraw/zinc/35/03/70/330350370.db2.gz UZGWGAVFFHRMNJ-JTQLQIEISA-N 1 2 292.766 3.193 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000533138783 330350371 /nfs/dbraw/zinc/35/03/71/330350371.db2.gz UZGWGAVFFHRMNJ-JTQLQIEISA-N 1 2 292.766 3.193 20 30 CGEDLO C=C1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000533280909 330356412 /nfs/dbraw/zinc/35/64/12/330356412.db2.gz YYDOHWRJRRNZQY-UHFFFAOYSA-N 1 2 253.349 3.090 20 30 CGEDLO C=C(C)C[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000085771092 330366874 /nfs/dbraw/zinc/36/68/74/330366874.db2.gz QGVLWWOEEVCUBK-UHFFFAOYSA-N 1 2 290.407 3.169 20 30 CGEDLO C=C(C)C[N@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1CC ZINC000085771092 330366875 /nfs/dbraw/zinc/36/68/75/330366875.db2.gz QGVLWWOEEVCUBK-UHFFFAOYSA-N 1 2 290.407 3.169 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000057907893 330381018 /nfs/dbraw/zinc/38/10/18/330381018.db2.gz WKIZSYVQQONYSK-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO N#CCCCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450315343 330972217 /nfs/dbraw/zinc/97/22/17/330972217.db2.gz PCKPJTYGGMQMOT-UHFFFAOYSA-N 1 2 265.320 3.217 20 30 CGEDLO COc1cc(F)c([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450673006 330992553 /nfs/dbraw/zinc/99/25/53/330992553.db2.gz MYKUDEHHCYZUHU-LLVKDONJSA-N 1 2 292.354 3.187 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000194748648 331039297 /nfs/dbraw/zinc/03/92/97/331039297.db2.gz VOCWBZIFOUEXBI-UKRRQHHQSA-N 1 2 261.365 3.235 20 30 CGEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452348932 331062892 /nfs/dbraw/zinc/06/28/92/331062892.db2.gz ANDOMUQDMYMRRQ-QGZVFWFLSA-N 1 2 296.374 3.179 20 30 CGEDLO C=CCCCCCN(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000455482736 331170661 /nfs/dbraw/zinc/17/06/61/331170661.db2.gz YJVGJOVPDAYUBF-CQSZACIVSA-N 1 2 292.427 3.352 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000489447327 332053232 /nfs/dbraw/zinc/05/32/32/332053232.db2.gz KADUWOWMCZEZBL-CYBMUJFWSA-N 1 2 277.437 3.282 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000489447327 332053234 /nfs/dbraw/zinc/05/32/34/332053234.db2.gz KADUWOWMCZEZBL-CYBMUJFWSA-N 1 2 277.437 3.282 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CCC(C)C)no1 ZINC000489497751 332056691 /nfs/dbraw/zinc/05/66/91/332056691.db2.gz PEBDOHQUHYSSNW-ZDUSSCGKSA-N 1 2 263.385 3.199 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CCC(C)C)no1 ZINC000489497751 332056692 /nfs/dbraw/zinc/05/66/92/332056692.db2.gz PEBDOHQUHYSSNW-ZDUSSCGKSA-N 1 2 263.385 3.199 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(CC)o1)[C@H]1CCc2ccccc21 ZINC000490740338 332110778 /nfs/dbraw/zinc/11/07/78/332110778.db2.gz JZOFFAWOIQKSMU-KRWDZBQOSA-N 1 2 280.371 3.360 20 30 CGEDLO C#CC[N@H+](Cc1ncc(CC)o1)[C@H]1CCc2ccccc21 ZINC000490740338 332110780 /nfs/dbraw/zinc/11/07/80/332110780.db2.gz JZOFFAWOIQKSMU-KRWDZBQOSA-N 1 2 280.371 3.360 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000491316897 332189280 /nfs/dbraw/zinc/18/92/80/332189280.db2.gz YLRUEVROAWBYJX-INIZCTEOSA-N 1 2 284.290 3.198 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ncc(CC)s1)c1ccc(F)cc1 ZINC000491495752 332222928 /nfs/dbraw/zinc/22/29/28/332222928.db2.gz LQOBJOIHBYUURR-CQSZACIVSA-N 1 2 274.364 3.309 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000491525721 332230352 /nfs/dbraw/zinc/23/03/52/332230352.db2.gz UTZINRVJWHEJQG-NSHDSACASA-N 1 2 290.798 3.119 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000491525721 332230353 /nfs/dbraw/zinc/23/03/53/332230353.db2.gz UTZINRVJWHEJQG-NSHDSACASA-N 1 2 290.798 3.119 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000491544110 332234284 /nfs/dbraw/zinc/23/42/84/332234284.db2.gz KGWJRKBNWHLZBS-NSHDSACASA-N 1 2 266.410 3.084 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000491544110 332234286 /nfs/dbraw/zinc/23/42/86/332234286.db2.gz KGWJRKBNWHLZBS-NSHDSACASA-N 1 2 266.410 3.084 20 30 CGEDLO COc1ccc(Cl)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000191973355 333227695 /nfs/dbraw/zinc/22/76/95/333227695.db2.gz IPPJQKLMCREYJC-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO C=CCCCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000193570864 333253445 /nfs/dbraw/zinc/25/34/45/333253445.db2.gz HTESAAYWCXJXGT-HNNXBMFYSA-N 1 2 291.391 3.300 20 30 CGEDLO C=CCCCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000193570864 333253446 /nfs/dbraw/zinc/25/34/46/333253446.db2.gz HTESAAYWCXJXGT-HNNXBMFYSA-N 1 2 291.391 3.300 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000523437005 333326903 /nfs/dbraw/zinc/32/69/03/333326903.db2.gz PEMZGIPAHCHFFE-AWEZNQCLSA-N 1 2 275.392 3.405 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000523437005 333326904 /nfs/dbraw/zinc/32/69/04/333326904.db2.gz PEMZGIPAHCHFFE-AWEZNQCLSA-N 1 2 275.392 3.405 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525964762 333349435 /nfs/dbraw/zinc/34/94/35/333349435.db2.gz LFHRQLXNVYRQCX-INIZCTEOSA-N 1 2 271.364 3.423 20 30 CGEDLO C=CCOCCCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132616503 333990337 /nfs/dbraw/zinc/99/03/37/333990337.db2.gz HIJNDZKYRDGTDV-UHFFFAOYSA-N 1 2 292.379 3.180 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000550489641 334223340 /nfs/dbraw/zinc/22/33/40/334223340.db2.gz PESDPQLBEGQOAD-ZDUSSCGKSA-N 1 2 254.333 3.358 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000550489641 334223341 /nfs/dbraw/zinc/22/33/41/334223341.db2.gz PESDPQLBEGQOAD-ZDUSSCGKSA-N 1 2 254.333 3.358 20 30 CGEDLO N#C[C@@H]1CC[C@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000567250671 334697763 /nfs/dbraw/zinc/69/77/63/334697763.db2.gz RPIPYTFLAQDNTA-MFKMUULPSA-N 1 2 268.282 3.199 20 30 CGEDLO Cc1cccc(N(C)Cc2c[nH+]c3ccc(C#N)cn23)c1C ZINC000576452184 335205028 /nfs/dbraw/zinc/20/50/28/335205028.db2.gz ZVVJYFNDGYTJMJ-UHFFFAOYSA-N 1 2 290.370 3.459 20 30 CGEDLO C=CCc1cc(C[N@@H+]2CCC[C@@H](F)C2)cc(OC)c1O ZINC000576524766 335214845 /nfs/dbraw/zinc/21/48/45/335214845.db2.gz UIRPAYRDMYBXRR-CQSZACIVSA-N 1 2 279.355 3.063 20 30 CGEDLO C=CCc1cc(C[N@H+]2CCC[C@@H](F)C2)cc(OC)c1O ZINC000576524766 335214846 /nfs/dbraw/zinc/21/48/46/335214846.db2.gz UIRPAYRDMYBXRR-CQSZACIVSA-N 1 2 279.355 3.063 20 30 CGEDLO C=CCc1cc(C[N@@H+]2CCC[C@H](F)C2)cc(OC)c1O ZINC000576524765 335214852 /nfs/dbraw/zinc/21/48/52/335214852.db2.gz UIRPAYRDMYBXRR-AWEZNQCLSA-N 1 2 279.355 3.063 20 30 CGEDLO C=CCc1cc(C[N@H+]2CCC[C@H](F)C2)cc(OC)c1O ZINC000576524765 335214853 /nfs/dbraw/zinc/21/48/53/335214853.db2.gz UIRPAYRDMYBXRR-AWEZNQCLSA-N 1 2 279.355 3.063 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000576693553 335235329 /nfs/dbraw/zinc/23/53/29/335235329.db2.gz RHTZMZHTCGAIGH-UHFFFAOYSA-N 1 2 266.348 3.194 20 30 CGEDLO C=CCn1c(C)nnc1SCCc1[nH+]cc(C)cc1C ZINC000578069055 335477865 /nfs/dbraw/zinc/47/78/65/335477865.db2.gz KJLVYEBALAHAQB-UHFFFAOYSA-N 1 2 288.420 3.119 20 30 CGEDLO C=CCCCN(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000349466225 500574162 /nfs/dbraw/zinc/57/41/62/500574162.db2.gz WNNWSOFCQFWFNH-UHFFFAOYSA-N 1 2 272.352 3.073 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CO[C@H](C)C1 ZINC000330066906 534218903 /nfs/dbraw/zinc/21/89/03/534218903.db2.gz TZZSEWYHTGJTJH-DGCLKSJQSA-N 1 2 285.347 3.398 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000332190114 534528418 /nfs/dbraw/zinc/52/84/18/534528418.db2.gz PHDKGUMGAXUNDQ-HUUCEWRRSA-N 1 2 281.359 3.432 20 30 CGEDLO N#CCCCOc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000351987932 534615582 /nfs/dbraw/zinc/61/55/82/534615582.db2.gz BUBAMKHEHSITFV-UHFFFAOYSA-N 1 2 274.339 3.428 20 30 CGEDLO N#CCCCOc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000351987932 534615589 /nfs/dbraw/zinc/61/55/89/534615589.db2.gz BUBAMKHEHSITFV-UHFFFAOYSA-N 1 2 274.339 3.428 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000330033113 534719499 /nfs/dbraw/zinc/71/94/99/534719499.db2.gz ACCQSAAVTQACGK-KRWDZBQOSA-N 1 2 283.375 3.370 20 30 CGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1C#N ZINC000049237431 524964332 /nfs/dbraw/zinc/96/43/32/524964332.db2.gz ABRQHYJCFWFJDN-JTQLQIEISA-N 1 2 294.280 3.274 20 30 CGEDLO C=C1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000347984105 526907632 /nfs/dbraw/zinc/90/76/32/526907632.db2.gz WFCJUNAAQUIILL-HNNXBMFYSA-N 1 2 290.794 3.097 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnc(C)o1 ZINC000411170506 528135733 /nfs/dbraw/zinc/13/57/33/528135733.db2.gz XJNUVJAIDINOHY-LBPRGKRZSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnc(C)o1 ZINC000411170506 528135741 /nfs/dbraw/zinc/13/57/41/528135741.db2.gz XJNUVJAIDINOHY-LBPRGKRZSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC(CC)[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425250073 528866361 /nfs/dbraw/zinc/86/63/61/528866361.db2.gz VIWFAXOCOXWXMI-DOTOQJQBSA-N 1 2 287.407 3.079 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000356059769 528881853 /nfs/dbraw/zinc/88/18/53/528881853.db2.gz RDDBFKLMZMKTOS-LBPRGKRZSA-N 1 2 296.399 3.470 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000356059769 528881858 /nfs/dbraw/zinc/88/18/58/528881858.db2.gz RDDBFKLMZMKTOS-LBPRGKRZSA-N 1 2 296.399 3.470 20 30 CGEDLO CCC1(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330337098 528979369 /nfs/dbraw/zinc/97/93/69/528979369.db2.gz SYNYCSGFXLYJHR-TZMCWYRMSA-N 1 2 291.395 3.177 20 30 CGEDLO CCC1(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330337097 528979695 /nfs/dbraw/zinc/97/96/95/528979695.db2.gz SYNYCSGFXLYJHR-OCCSQVGLSA-N 1 2 291.395 3.177 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(F)cccc1Br ZINC000192730888 529300443 /nfs/dbraw/zinc/30/04/43/529300443.db2.gz HWWRSFVMUGJCIP-SECBINFHSA-N 1 2 285.160 3.370 20 30 CGEDLO CC[C@@H](Cc1ccccc1)/[NH+]=C\c1ccc(O)c(O)c1O ZINC000727781087 571768671 /nfs/dbraw/zinc/76/86/71/571768671.db2.gz DGAAKURYKLEVLP-DZBQEORWSA-N 1 2 285.343 3.244 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cccc(O)c1 ZINC000730147943 571950976 /nfs/dbraw/zinc/95/09/76/571950976.db2.gz LCKBFEJAASQLPK-UHFFFAOYSA-N 1 2 277.327 3.198 20 30 CGEDLO COc1ccc(C)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000730148490 571951674 /nfs/dbraw/zinc/95/16/74/571951674.db2.gz VBNDCAKXDGYHHW-UHFFFAOYSA-N 1 2 291.354 3.420 20 30 CGEDLO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccn[nH]3)c2)s1 ZINC000740014235 572428851 /nfs/dbraw/zinc/42/88/51/572428851.db2.gz ONXVDAKMPHQQTA-UHFFFAOYSA-N 1 2 294.383 3.300 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C\c2ccccc2O)c1 ZINC000732926394 572493769 /nfs/dbraw/zinc/49/37/69/572493769.db2.gz OJCCCDGWGROZHI-CYUIRQCWSA-N 1 2 269.344 3.451 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C/c2ccccc2O)c1 ZINC000732926396 572493933 /nfs/dbraw/zinc/49/39/33/572493933.db2.gz OJCCCDGWGROZHI-HTMJNSLASA-N 1 2 269.344 3.451 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)OCCCC ZINC000741773209 572525050 /nfs/dbraw/zinc/52/50/50/572525050.db2.gz IZTIDJMTFHQEEB-ZDUSSCGKSA-N 1 2 281.421 3.468 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)OCCCC ZINC000741773209 572525053 /nfs/dbraw/zinc/52/50/53/572525053.db2.gz IZTIDJMTFHQEEB-ZDUSSCGKSA-N 1 2 281.421 3.468 20 30 CGEDLO Cc1cc(C)cc(C[C@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)c1 ZINC000741844929 572534704 /nfs/dbraw/zinc/53/47/04/572534704.db2.gz REDALTYNRJODKJ-UZPSYVQNSA-N 1 2 299.370 3.470 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000743852748 572690934 /nfs/dbraw/zinc/69/09/34/572690934.db2.gz FGELOXZGPLGOPA-UHFFFAOYSA-N 1 2 278.355 3.109 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000743852748 572690938 /nfs/dbraw/zinc/69/09/38/572690938.db2.gz FGELOXZGPLGOPA-UHFFFAOYSA-N 1 2 278.355 3.109 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC2Cc3ccccc3C2)c1 ZINC000735229227 572707113 /nfs/dbraw/zinc/70/71/13/572707113.db2.gz WBZNTZJAMDZZSK-XDHOZWIPSA-N 1 2 281.355 3.235 20 30 CGEDLO CC(=[NH+]OCc1cccnc1)c1ccc(F)cc1N(C)C ZINC000746585305 572882929 /nfs/dbraw/zinc/88/29/29/572882929.db2.gz ARVJCIOQIKANEG-UHFFFAOYSA-N 1 2 287.338 3.228 20 30 CGEDLO N#Cc1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000748788023 572983700 /nfs/dbraw/zinc/98/37/00/572983700.db2.gz KMRSUHQCPPUTNW-UHFFFAOYSA-N 1 2 278.340 3.036 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2cccc(OC)c2)n1 ZINC000749155072 572990115 /nfs/dbraw/zinc/99/01/15/572990115.db2.gz LPSOUDZZSFLIRH-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2cccc(OC)c2)n1 ZINC000749155072 572990116 /nfs/dbraw/zinc/99/01/16/572990116.db2.gz LPSOUDZZSFLIRH-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000981845283 613373814 /nfs/dbraw/zinc/37/38/14/613373814.db2.gz OIHOCQXTLRFULD-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000981845283 613373815 /nfs/dbraw/zinc/37/38/15/613373815.db2.gz OIHOCQXTLRFULD-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964688968 613377778 /nfs/dbraw/zinc/37/77/78/613377778.db2.gz ZIFKXTGBAFKVBY-SWLSCSKDSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964688968 613377779 /nfs/dbraw/zinc/37/77/79/613377779.db2.gz ZIFKXTGBAFKVBY-SWLSCSKDSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974546029 613379624 /nfs/dbraw/zinc/37/96/24/613379624.db2.gz JTXITVNVPQOMNG-CYBMUJFWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974546029 613379625 /nfs/dbraw/zinc/37/96/25/613379625.db2.gz JTXITVNVPQOMNG-CYBMUJFWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000950465748 613657511 /nfs/dbraw/zinc/65/75/11/613657511.db2.gz GDGQFLKKAXYTTO-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=CC(C)(C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000891267926 618069938 /nfs/dbraw/zinc/06/99/38/618069938.db2.gz FWDLWLGDMZDACM-AWEZNQCLSA-N 1 2 283.375 3.013 20 30 CGEDLO CC[N@@H+](Cc1cc(O)cc(Cl)c1)C[C@H](C)C#N ZINC000891716655 618255237 /nfs/dbraw/zinc/25/52/37/618255237.db2.gz VOCWCTDKNGICBR-SNVBAGLBSA-N 1 2 252.745 3.027 20 30 CGEDLO CC[N@H+](Cc1cc(O)cc(Cl)c1)C[C@H](C)C#N ZINC000891716655 618255243 /nfs/dbraw/zinc/25/52/43/618255243.db2.gz VOCWCTDKNGICBR-SNVBAGLBSA-N 1 2 252.745 3.027 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472812 618628755 /nfs/dbraw/zinc/62/87/55/618628755.db2.gz VGRCOAVEKMXJMQ-ZYHUDNBSSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472812 618628757 /nfs/dbraw/zinc/62/87/57/618628757.db2.gz VGRCOAVEKMXJMQ-ZYHUDNBSSA-N 1 2 296.773 3.457 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1F ZINC000255548368 618666402 /nfs/dbraw/zinc/66/64/02/618666402.db2.gz MXJRVOOQWNJLJZ-SREVYHEPSA-N 1 2 296.301 3.378 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc(C#N)c1O ZINC000926431207 618670133 /nfs/dbraw/zinc/67/01/33/618670133.db2.gz LWOSPHRJXBFZOJ-IUODEOHRSA-N 1 2 290.432 3.448 20 30 CGEDLO CC[C@H](Nc1cc(COC)cc[nH+]1)c1cccc(C#N)c1O ZINC000926664440 618810465 /nfs/dbraw/zinc/81/04/65/618810465.db2.gz ZMIWXMQQFNGQIT-HNNXBMFYSA-N 1 2 297.358 3.368 20 30 CGEDLO CC[C@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1O ZINC000926698719 618828273 /nfs/dbraw/zinc/82/82/73/618828273.db2.gz CZWHSTMQGYBFGK-ZDUSSCGKSA-N 1 2 264.344 3.443 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000926735541 618853459 /nfs/dbraw/zinc/85/34/59/618853459.db2.gz GBSGWKGKVNPHLP-WCQYABFASA-N 1 2 280.318 3.350 20 30 CGEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000892961513 618965002 /nfs/dbraw/zinc/96/50/02/618965002.db2.gz DSNPSIKMIHYWSR-ZDUSSCGKSA-N 1 2 298.777 3.297 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000930866922 619085229 /nfs/dbraw/zinc/08/52/29/619085229.db2.gz NGUUUDQGRPOSRV-UVGIYENGSA-N 1 2 274.314 3.165 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000930866922 619085231 /nfs/dbraw/zinc/08/52/31/619085231.db2.gz NGUUUDQGRPOSRV-UVGIYENGSA-N 1 2 274.314 3.165 20 30 CGEDLO C#CC[C@@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925637453 619100175 /nfs/dbraw/zinc/10/01/75/619100175.db2.gz LLZXWMVGJSTBMI-XJKSGUPXSA-N 1 2 282.391 3.022 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000093582331 619204588 /nfs/dbraw/zinc/20/45/88/619204588.db2.gz IQRKEGOFYUGZIU-GFCCVEGCSA-N 1 2 287.388 3.066 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000093582331 619204591 /nfs/dbraw/zinc/20/45/91/619204591.db2.gz IQRKEGOFYUGZIU-GFCCVEGCSA-N 1 2 287.388 3.066 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(C#N)C2)c(Cl)c1 ZINC000840938676 619227889 /nfs/dbraw/zinc/22/78/89/619227889.db2.gz FEZADDGSLQNJJW-OAHLLOKOSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(C#N)C2)c(Cl)c1 ZINC000840938676 619227890 /nfs/dbraw/zinc/22/78/90/619227890.db2.gz FEZADDGSLQNJJW-OAHLLOKOSA-N 1 2 278.783 3.480 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000932152505 619304342 /nfs/dbraw/zinc/30/43/42/619304342.db2.gz PVKRKCMWIYRKOF-GFCCVEGCSA-N 1 2 264.369 3.153 20 30 CGEDLO N#C[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000932152505 619304343 /nfs/dbraw/zinc/30/43/43/619304343.db2.gz PVKRKCMWIYRKOF-GFCCVEGCSA-N 1 2 264.369 3.153 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932157591 619305863 /nfs/dbraw/zinc/30/58/63/619305863.db2.gz LGYCVGNZTGLYJF-CQSZACIVSA-N 1 2 267.376 3.223 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000932157591 619305865 /nfs/dbraw/zinc/30/58/65/619305865.db2.gz LGYCVGNZTGLYJF-CQSZACIVSA-N 1 2 267.376 3.223 20 30 CGEDLO C=CC[N@@H+](Cc1ocnc1C)Cc1cccc(C#N)c1 ZINC000893975858 619343049 /nfs/dbraw/zinc/34/30/49/619343049.db2.gz IQYAVCAMQCRKKB-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1ocnc1C)Cc1cccc(C#N)c1 ZINC000893975858 619343050 /nfs/dbraw/zinc/34/30/50/619343050.db2.gz IQYAVCAMQCRKKB-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO Cc1n[nH]c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000894085573 619365860 /nfs/dbraw/zinc/36/58/60/619365860.db2.gz POYGYRWKSXKICH-FUHWJXTLSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1n[nH]c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000894085573 619365865 /nfs/dbraw/zinc/36/58/65/619365865.db2.gz POYGYRWKSXKICH-FUHWJXTLSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1cc(NCC(C)(C)CC#N)nc(C2CCC2)[nH+]1 ZINC000894158065 619395821 /nfs/dbraw/zinc/39/58/21/619395821.db2.gz BGLNYDFOEBBACV-UHFFFAOYSA-N 1 2 258.369 3.404 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(Cl)cc1 ZINC000894554215 619574511 /nfs/dbraw/zinc/57/45/11/619574511.db2.gz ZXRSTMAYJFGDFS-MRXNPFEDSA-N 1 2 299.805 3.415 20 30 CGEDLO C=CCOc1cccc(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000894898607 619674384 /nfs/dbraw/zinc/67/43/84/619674384.db2.gz ZKZXKSIIYHIKJF-UHFFFAOYSA-N 1 2 271.282 3.246 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2cccc(F)c2)ccc1F ZINC000049066033 619679124 /nfs/dbraw/zinc/67/91/24/619679124.db2.gz KENSEBDZBSAVQG-UHFFFAOYSA-N 1 2 276.286 3.110 20 30 CGEDLO CC(C)=CCC[C@H](C)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000795887648 620075083 /nfs/dbraw/zinc/07/50/83/620075083.db2.gz SAESFPBHWAEJSY-WMZOPIPTSA-N 1 2 289.467 3.431 20 30 CGEDLO CC(C)=CCC[C@H](C)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000795887648 620075085 /nfs/dbraw/zinc/07/50/85/620075085.db2.gz SAESFPBHWAEJSY-WMZOPIPTSA-N 1 2 289.467 3.431 20 30 CGEDLO CC(C)(CC/[NH+]=C/c1ccc(O)c(O)c1O)C1CC1 ZINC000840707501 620090138 /nfs/dbraw/zinc/09/01/38/620090138.db2.gz VWKKRWSCSFLOTO-CXUHLZMHSA-N 1 2 263.337 3.049 20 30 CGEDLO C=CC[C@@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000896911182 620096871 /nfs/dbraw/zinc/09/68/71/620096871.db2.gz MCCNKBNNXDZILX-OAHLLOKOSA-N 1 2 283.375 3.003 20 30 CGEDLO Cc1cc(N(C)Cc2cc(C#N)cs2)nc(C2CC2)[nH+]1 ZINC000896923093 620101989 /nfs/dbraw/zinc/10/19/89/620101989.db2.gz FYUNZSPIBRSMRM-UHFFFAOYSA-N 1 2 284.388 3.232 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000840709815 620106548 /nfs/dbraw/zinc/10/65/48/620106548.db2.gz ODLRXRRQRMTYMB-XVKBUMFYSA-N 1 2 291.391 3.271 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC[C@@H]2CCOC2)c(O)c1 ZINC000840710096 620107704 /nfs/dbraw/zinc/10/77/04/620107704.db2.gz OWJLVJLYRFAKJH-GPLLRDDGSA-N 1 2 277.364 3.027 20 30 CGEDLO Oc1cccc(/C=[NH+]/CC[C@H]2CCC3(CCC3)O2)c1O ZINC000899228050 620627501 /nfs/dbraw/zinc/62/75/01/620627501.db2.gz XKBNTXBGUJJSPD-VVBXCHJUSA-N 1 2 275.348 3.009 20 30 CGEDLO CC(C)COc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901436257 620887802 /nfs/dbraw/zinc/88/78/02/620887802.db2.gz PUAMZFCWAFEELT-TWGQIWQCSA-N 1 2 284.359 3.351 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)ccc1OC ZINC000901442784 620888920 /nfs/dbraw/zinc/88/89/20/620888920.db2.gz KVZSWWMCZXMOPU-SREVYHEPSA-N 1 2 270.332 3.116 20 30 CGEDLO COc1ccc(O)c(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901481300 620892372 /nfs/dbraw/zinc/89/23/72/620892372.db2.gz ADXGBSITZHSIFU-XQRVVYSFSA-N 1 2 286.331 3.074 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)CO2 ZINC000901455179 620893575 /nfs/dbraw/zinc/89/35/75/620893575.db2.gz ZQUXOVNXUUONBI-SDQBBNPISA-N 1 2 298.342 3.131 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(cccc2F)C1=O ZINC000901467413 620895784 /nfs/dbraw/zinc/89/57/84/620895784.db2.gz IGZPXBVRJPTFHX-WDZFZDKYSA-N 1 2 270.307 3.426 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1c(C)nn(C(C)C)c1C ZINC000901468921 620896683 /nfs/dbraw/zinc/89/66/83/620896683.db2.gz PQKZJHKXVCMWGO-BQYQJAHWSA-N 1 2 286.379 3.193 20 30 CGEDLO CC(C)c1cccc2c1OC/C(=C/c1c[nH+]cn1C)C2=O ZINC000901486505 620911075 /nfs/dbraw/zinc/91/10/75/620911075.db2.gz KCGLIBZHXRKWBF-GHXNOFRVSA-N 1 2 282.343 3.202 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc(F)cc(F)c1O ZINC000903109565 621582262 /nfs/dbraw/zinc/58/22/62/621582262.db2.gz RLBZFQOVPYJCPC-SNVBAGLBSA-N 1 2 280.318 3.405 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccncc1Cl ZINC000903109488 621582584 /nfs/dbraw/zinc/58/25/84/621582584.db2.gz PXAJYIUQTXCIJZ-LLVKDONJSA-N 1 2 263.772 3.470 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Cl)cn1 ZINC000903108811 621583125 /nfs/dbraw/zinc/58/31/25/621583125.db2.gz HKNSHKXQFJQBDP-LLVKDONJSA-N 1 2 263.772 3.470 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000043416393 622284518 /nfs/dbraw/zinc/28/45/18/622284518.db2.gz XXWOFXKTTPZHKC-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000043416393 622284526 /nfs/dbraw/zinc/28/45/26/622284526.db2.gz XXWOFXKTTPZHKC-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000753585439 623435823 /nfs/dbraw/zinc/43/58/23/623435823.db2.gz AGXCNKKHOJSBHT-CQSZACIVSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000753585439 623435828 /nfs/dbraw/zinc/43/58/28/623435828.db2.gz AGXCNKKHOJSBHT-CQSZACIVSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@@H](C/[NH+]=C/c1ccccc1O)N1CCc2ccccc21 ZINC000914701514 623847396 /nfs/dbraw/zinc/84/73/96/623847396.db2.gz JOYFQFMLNWHBRF-ITRAFESCSA-N 1 2 280.371 3.262 20 30 CGEDLO Cc1cc(C)cc(CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000072001860 625216305 /nfs/dbraw/zinc/21/63/05/625216305.db2.gz YHRHUDVINNDRJM-UHFFFAOYSA-N 1 2 268.360 3.335 20 30 CGEDLO CCc1nc([C@H](C)[NH2+]Cc2csc(C#N)c2)cs1 ZINC000921726417 625855129 /nfs/dbraw/zinc/85/51/29/625855129.db2.gz SQGMTAQWDVRTPD-VIFPVBQESA-N 1 2 277.418 3.489 20 30 CGEDLO Brc1cnn([NH+]=C/C=C/c2ccccc2)c1 ZINC000752746158 626437077 /nfs/dbraw/zinc/43/70/77/626437077.db2.gz GSVAWORHJYXJCV-SSSAHOFISA-N 1 2 276.137 3.193 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(Cl)nc2)cn1 ZINC000790168783 626440879 /nfs/dbraw/zinc/44/08/79/626440879.db2.gz ZQSQIDWNYCMIBF-UHFFFAOYSA-N 1 2 289.770 3.032 20 30 CGEDLO CC(=[NH+]Nc1nc2ccccc2n1C)c1ccc(N)cc1C ZINC000758107402 626827722 /nfs/dbraw/zinc/82/77/22/626827722.db2.gz NSJFHXRMLMSKSP-UHFFFAOYSA-N 1 2 293.374 3.300 20 30 CGEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N(C)C)s2)c1 ZINC000759212937 626882023 /nfs/dbraw/zinc/88/20/23/626882023.db2.gz QDRUKXUQGUPSRC-UHFFFAOYSA-N 1 2 293.367 3.408 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851943 626926242 /nfs/dbraw/zinc/92/62/42/626926242.db2.gz WZBKCDCPKLJGCV-BMIGLBTASA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851943 626926247 /nfs/dbraw/zinc/92/62/47/626926247.db2.gz WZBKCDCPKLJGCV-BMIGLBTASA-N 1 2 296.773 3.137 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000764677000 627217675 /nfs/dbraw/zinc/21/76/75/627217675.db2.gz PYGPCQPZVFQWEZ-UHFFFAOYSA-N 1 2 271.257 3.442 20 30 CGEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000764677000 627217678 /nfs/dbraw/zinc/21/76/78/627217678.db2.gz PYGPCQPZVFQWEZ-UHFFFAOYSA-N 1 2 271.257 3.442 20 30 CGEDLO Cc1cc(O)c(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC000767292628 627397190 /nfs/dbraw/zinc/39/71/90/627397190.db2.gz WMFNVSVTEXDURE-UHFFFAOYSA-N 1 2 267.332 3.082 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000770568801 627626734 /nfs/dbraw/zinc/62/67/34/627626734.db2.gz OAYHGWDHENXNAV-FSUYJDLYSA-N 1 2 277.364 3.025 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cccc(Cl)c1O ZINC000775654584 628119925 /nfs/dbraw/zinc/11/99/25/628119925.db2.gz LXZGKUFDIIJHLU-UHFFFAOYSA-N 1 2 252.745 3.170 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cccc(Cl)c1O ZINC000775654584 628119927 /nfs/dbraw/zinc/11/99/27/628119927.db2.gz LXZGKUFDIIJHLU-UHFFFAOYSA-N 1 2 252.745 3.170 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000775732237 628130601 /nfs/dbraw/zinc/13/06/01/628130601.db2.gz MNEHJPWCDRRNIT-JTQLQIEISA-N 1 2 264.756 3.170 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000775732237 628130604 /nfs/dbraw/zinc/13/06/04/628130604.db2.gz MNEHJPWCDRRNIT-JTQLQIEISA-N 1 2 264.756 3.170 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC[C@H]2CCCCO2)c(O)c1 ZINC000779707686 628421570 /nfs/dbraw/zinc/42/15/70/628421570.db2.gz PVJSMJCLLOTZNY-MTOJCTJASA-N 1 2 277.364 3.169 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC[C@@H]1CCOC1 ZINC000783686377 628739507 /nfs/dbraw/zinc/73/95/07/628739507.db2.gz ZSIRIAWAQGDPQB-VBEHJTROSA-N 1 2 269.344 3.391 20 30 CGEDLO C(=NNC1CCCCC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000786042342 628910635 /nfs/dbraw/zinc/91/06/35/628910635.db2.gz RUJXYBNLBGDYHS-UHFFFAOYSA-N 1 2 274.393 3.190 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c(O)ccc(Cl)c2F)c1 ZINC000790245022 629196450 /nfs/dbraw/zinc/19/64/50/629196450.db2.gz FJKNOJJMUWGBND-UHFFFAOYSA-N 1 2 291.713 3.258 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791582738 629291423 /nfs/dbraw/zinc/29/14/23/629291423.db2.gz CMBZTUKIUJFRRB-HTQZYQBOSA-N 1 2 272.108 3.168 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791582738 629291425 /nfs/dbraw/zinc/29/14/25/629291425.db2.gz CMBZTUKIUJFRRB-HTQZYQBOSA-N 1 2 272.108 3.168 20 30 CGEDLO CCn1nc(C)c(C(=O)/C=C/c2c[nH+]c3ccccn23)c1C ZINC000119134520 629446232 /nfs/dbraw/zinc/44/62/32/629446232.db2.gz FKNJXAMTDYCABA-CMDGGOBGSA-N 1 2 294.358 3.064 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(F)c2)s1 ZINC000794692987 629567867 /nfs/dbraw/zinc/56/78/67/629567867.db2.gz ZFJBBHHWNZAWOH-SREVYHEPSA-N 1 2 290.363 3.240 20 30 CGEDLO Cc1cccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000794697292 629568011 /nfs/dbraw/zinc/56/80/11/629568011.db2.gz YFJGNYSNPMBMAU-FPLPWBNLSA-N 1 2 286.400 3.409 20 30 CGEDLO O=C1c2cc(O)ccc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000794959467 629607119 /nfs/dbraw/zinc/60/71/19/629607119.db2.gz AOJUCFZZHDTKMZ-UKTHLTGXSA-N 1 2 290.322 3.252 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1 ZINC000796633285 629808094 /nfs/dbraw/zinc/80/80/94/629808094.db2.gz RAQFVMSDEDOGGH-UHFFFAOYSA-N 1 2 297.354 3.010 20 30 CGEDLO C#CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccccc1 ZINC000796633285 629808098 /nfs/dbraw/zinc/80/80/98/629808098.db2.gz RAQFVMSDEDOGGH-UHFFFAOYSA-N 1 2 297.354 3.010 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@H]2CCCS2)c1O ZINC000864347293 629815929 /nfs/dbraw/zinc/81/59/29/629815929.db2.gz OJSPQUZJHKXHIZ-DYTQJMLRSA-N 1 2 265.378 3.105 20 30 CGEDLO CCOc1cc(F)cc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000865291897 630055882 /nfs/dbraw/zinc/05/58/82/630055882.db2.gz SPKKTMMJTCWABY-UHFFFAOYSA-N 1 2 285.322 3.298 20 30 CGEDLO CCc1cccc(C)c1N[NH+]=C(C)c1csc(N)n1 ZINC000799495574 630190520 /nfs/dbraw/zinc/19/05/20/630190520.db2.gz UDVSFDMJEGACDA-UHFFFAOYSA-N 1 2 274.393 3.432 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2c(F)cccc2Cl)cn1C ZINC000800815929 630301711 /nfs/dbraw/zinc/30/17/11/630301711.db2.gz UKQJALJQOQNTFV-UHFFFAOYSA-N 1 2 280.734 3.357 20 30 CGEDLO CC(=[NH+]OC/C=C/Cl)c1ccc(N2CCCC2)cc1O ZINC000811670115 631108383 /nfs/dbraw/zinc/10/83/83/631108383.db2.gz YEOXRVSFWLLMDH-RCYQAAHFSA-N 1 2 294.782 3.486 20 30 CGEDLO Fc1cc(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)ccn1 ZINC000814902109 631671414 /nfs/dbraw/zinc/67/14/14/631671414.db2.gz FEHQVXVPKYWZRG-SNVBAGLBSA-N 1 2 282.322 3.340 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2ccccc2c1O ZINC000816617112 632024851 /nfs/dbraw/zinc/02/48/51/632024851.db2.gz PARXGBXNXCIZGP-UHFFFAOYSA-N 1 2 266.344 3.447 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2ccccc2c1O ZINC000816617112 632024860 /nfs/dbraw/zinc/02/48/60/632024860.db2.gz PARXGBXNXCIZGP-UHFFFAOYSA-N 1 2 266.344 3.447 20 30 CGEDLO CC(C)n1c[nH+]cc1CN=Nc1ncccc1C(F)(F)F ZINC000819806284 632518815 /nfs/dbraw/zinc/51/88/15/632518815.db2.gz ONFRUAZATBTWRC-UHFFFAOYSA-N 1 2 297.284 3.324 20 30 CGEDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(C#N)c1O ZINC000866271281 633056420 /nfs/dbraw/zinc/05/64/20/633056420.db2.gz HGVWKCZELUHRMF-CXAGYDPISA-N 1 2 296.370 3.038 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C#N)c1O ZINC000866356137 633097673 /nfs/dbraw/zinc/09/76/73/633097673.db2.gz IYJWIJZNADABCZ-LBPRGKRZSA-N 1 2 271.364 3.244 20 30 CGEDLO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc(C)n1 ZINC000866376853 633111954 /nfs/dbraw/zinc/11/19/54/633111954.db2.gz RWDCFFHVQZTPKZ-ZDUSSCGKSA-N 1 2 281.359 3.127 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccc(C#N)c1O ZINC000866411583 633127670 /nfs/dbraw/zinc/12/76/70/633127670.db2.gz QEMLGBQOGLOFEG-RISCZKNCSA-N 1 2 256.349 3.247 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1 ZINC000828687436 633642156 /nfs/dbraw/zinc/64/21/56/633642156.db2.gz KQRCIVVSCOXPBX-AWEZNQCLSA-N 1 2 283.400 3.270 20 30 CGEDLO O=[N+]([O-])c1ccc(Cl)cc1N[NH2+]C=C1CC1(F)F ZINC000835009767 634314691 /nfs/dbraw/zinc/31/46/91/634314691.db2.gz ZMTDWXANWYNKIY-ZCFIWIBFSA-N 1 2 275.642 3.301 20 30 CGEDLO N#CC1CCC([NH2+]c2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876822243 634906945 /nfs/dbraw/zinc/90/69/45/634906945.db2.gz WQURPJFQHJKVOU-UHFFFAOYSA-N 1 2 299.418 3.142 20 30 CGEDLO N#CC1CCC(Nc2ccc([NH+]3CCC(O)CC3)cc2)CC1 ZINC000876822243 634906949 /nfs/dbraw/zinc/90/69/49/634906949.db2.gz WQURPJFQHJKVOU-UHFFFAOYSA-N 1 2 299.418 3.142 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC[C@H]2CCOC2)c1 ZINC000840711649 635039715 /nfs/dbraw/zinc/03/97/15/635039715.db2.gz YILLXILVAJFQDL-MFVBVHDHSA-N 1 2 277.364 3.027 20 30 CGEDLO C[C@@H]1C[NH+](Cc2cc(C#N)cnc2Cl)C[C@@H](C)C1(F)F ZINC000877650689 635131784 /nfs/dbraw/zinc/13/17/84/635131784.db2.gz UASLQUDRRZBNMS-NXEZZACHSA-N 1 2 299.752 3.330 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878886203 635650069 /nfs/dbraw/zinc/65/00/69/635650069.db2.gz CMPKEKQNJINZAN-JTQLQIEISA-N 1 2 272.270 3.424 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878886203 635650076 /nfs/dbraw/zinc/65/00/76/635650076.db2.gz CMPKEKQNJINZAN-JTQLQIEISA-N 1 2 272.270 3.424 20 30 CGEDLO C#Cc1cccc(N(C(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)c1 ZINC000844381646 635885826 /nfs/dbraw/zinc/88/58/26/635885826.db2.gz PCBAXYHAMXZWSV-HNNXBMFYSA-N 1 2 295.386 3.257 20 30 CGEDLO C=CCCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283605 636020294 /nfs/dbraw/zinc/02/02/94/636020294.db2.gz FCDWHFWSINNWSW-ZDUSSCGKSA-N 1 2 250.342 3.124 20 30 CGEDLO C=CCCC[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000882233635 636294426 /nfs/dbraw/zinc/29/44/26/636294426.db2.gz AQDARCYHPWPIMA-KRWDZBQOSA-N 1 2 297.402 3.487 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871071 636440377 /nfs/dbraw/zinc/44/03/77/636440377.db2.gz XVGLJQIKQXFZAP-INIZCTEOSA-N 1 2 297.402 3.343 20 30 CGEDLO C#Cc1cccc(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000130488910 636463950 /nfs/dbraw/zinc/46/39/50/636463950.db2.gz FOPVOVQTLARUHN-UHFFFAOYSA-N 1 2 261.328 3.236 20 30 CGEDLO C#CCCC[C@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000847866157 636477526 /nfs/dbraw/zinc/47/75/26/636477526.db2.gz AEDIIZRGVBLHRH-HNNXBMFYSA-N 1 2 296.370 3.280 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1cc2ccc(C)cc2o1 ZINC000848417041 636571282 /nfs/dbraw/zinc/57/12/82/636571282.db2.gz ISEFPPPNHYVPDN-UHFFFAOYSA-N 1 2 296.374 3.342 20 30 CGEDLO CC[C@@H]1C[C@H](C)CCC1N=NCCCn1cc[nH+]c1 ZINC000848419195 636572771 /nfs/dbraw/zinc/57/27/71/636572771.db2.gz VSJFPDXTDGUCGR-ZIAGYGMSSA-N 1 2 262.401 3.065 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1F ZINC000133176743 636880452 /nfs/dbraw/zinc/88/04/52/636880452.db2.gz OGVAJXDGJVPITO-VOTSOKGWSA-N 1 2 296.301 3.378 20 30 CGEDLO C[N@H+](CC=C(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000851714988 637472862 /nfs/dbraw/zinc/47/28/62/637472862.db2.gz MQDRFNVPZHUVDQ-UHFFFAOYSA-N 1 2 255.148 3.309 20 30 CGEDLO C[N@@H+](CC=C(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000851714988 637472865 /nfs/dbraw/zinc/47/28/65/637472865.db2.gz MQDRFNVPZHUVDQ-UHFFFAOYSA-N 1 2 255.148 3.309 20 30 CGEDLO CC(C)SCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333398 637636596 /nfs/dbraw/zinc/63/65/96/637636596.db2.gz LIJCVPNCJNPREX-MRXNPFEDSA-N 1 2 289.448 3.080 20 30 CGEDLO CC(C)SCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333398 637636603 /nfs/dbraw/zinc/63/66/03/637636603.db2.gz LIJCVPNCJNPREX-MRXNPFEDSA-N 1 2 289.448 3.080 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2SCCS2)c(O)c1 ZINC000852997927 637727914 /nfs/dbraw/zinc/72/79/14/637727914.db2.gz FCWKBZGPGSLDJW-XNTDXEJSSA-N 1 2 297.445 3.406 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CC1(Cl)Cl ZINC000853090671 637753976 /nfs/dbraw/zinc/75/39/76/637753976.db2.gz AUPVDOYKMRWWTA-LLVKDONJSA-N 1 2 299.201 3.480 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@H]1OC ZINC000853468937 637850281 /nfs/dbraw/zinc/85/02/81/637850281.db2.gz AWGRKMIKAPMHIE-HUUCEWRRSA-N 1 2 288.391 3.101 20 30 CGEDLO C=CC[N@H+](Cn1ccn(C(C)C)c1=S)[C@@H](C)COC ZINC000853533215 637862902 /nfs/dbraw/zinc/86/29/02/637862902.db2.gz YCYUYTLFWLXYBQ-ZDUSSCGKSA-N 1 2 283.441 3.080 20 30 CGEDLO C=CC[N@@H+](Cn1ccn(C(C)C)c1=S)[C@@H](C)COC ZINC000853533215 637862910 /nfs/dbraw/zinc/86/29/10/637862910.db2.gz YCYUYTLFWLXYBQ-ZDUSSCGKSA-N 1 2 283.441 3.080 20 30 CGEDLO C=CC[N@H+](Cn1cc(C(C)C)n(C)c1=S)[C@@H](C)COC ZINC000853535428 637863900 /nfs/dbraw/zinc/86/39/00/637863900.db2.gz VCWIWAXLSINPQR-ZDUSSCGKSA-N 1 2 297.468 3.160 20 30 CGEDLO C=CC[N@@H+](Cn1cc(C(C)C)n(C)c1=S)[C@@H](C)COC ZINC000853535428 637863906 /nfs/dbraw/zinc/86/39/06/637863906.db2.gz VCWIWAXLSINPQR-ZDUSSCGKSA-N 1 2 297.468 3.160 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C)n(CC=C)c2=S)C1 ZINC000853536087 637864520 /nfs/dbraw/zinc/86/45/20/637864520.db2.gz LEDLRVFYJGQDPO-AWEZNQCLSA-N 1 2 292.452 3.154 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C)n(CC=C)c2=S)C1 ZINC000853536087 637864524 /nfs/dbraw/zinc/86/45/24/637864524.db2.gz LEDLRVFYJGQDPO-AWEZNQCLSA-N 1 2 292.452 3.154 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC(C)(F)F ZINC000853650848 637882831 /nfs/dbraw/zinc/88/28/31/637882831.db2.gz LMADQMFIMMXVIV-UHFFFAOYSA-N 1 2 268.307 3.331 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CS[C@@H](C)C1 ZINC000853690607 637893276 /nfs/dbraw/zinc/89/32/76/637893276.db2.gz SUVHGWYVTLCHAO-QWHCGFSZSA-N 1 2 276.405 3.180 20 30 CGEDLO C=CC[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000853802129 637928699 /nfs/dbraw/zinc/92/86/99/637928699.db2.gz SCCNSVQVDVOASO-CYBMUJFWSA-N 1 2 299.422 3.374 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC[C@H](C)O1 ZINC000853849366 637941204 /nfs/dbraw/zinc/94/12/04/637941204.db2.gz KLBYWNUFOOAMDJ-GJZGRUSLSA-N 1 2 288.391 3.243 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H]1CC1(F)F ZINC000856778103 638387055 /nfs/dbraw/zinc/38/70/55/638387055.db2.gz HPBLOVDIVNWXPW-GFCCVEGCSA-N 1 2 280.318 3.331 20 30 CGEDLO C=CCSCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925349665 638495483 /nfs/dbraw/zinc/49/54/83/638495483.db2.gz DYTNVCWJNIKXLV-CQSZACIVSA-N 1 2 276.405 3.224 20 30 CGEDLO N#CCC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857101 638579403 /nfs/dbraw/zinc/57/94/03/638579403.db2.gz AAKAZNHXDKYNOG-CVEARBPZSA-N 1 2 280.375 3.422 20 30 CGEDLO CC[C@H]([NH2+]CCOCC1CCC1)c1cccc(C#N)c1O ZINC000926175759 638729102 /nfs/dbraw/zinc/72/91/02/638729102.db2.gz BMNFXYJOYMYTIO-INIZCTEOSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@@H]1C[C@H](C[N@H+](CCC#N)Cc2ccco2)C[C@H](C)O1 ZINC000929773733 638949194 /nfs/dbraw/zinc/94/91/94/638949194.db2.gz BFPOTGOBQIJKOG-FICVDOATSA-N 1 2 276.380 3.199 20 30 CGEDLO C[C@@H]1C[C@H](C[N@@H+](CCC#N)Cc2ccco2)C[C@H](C)O1 ZINC000929773733 638949196 /nfs/dbraw/zinc/94/91/96/638949196.db2.gz BFPOTGOBQIJKOG-FICVDOATSA-N 1 2 276.380 3.199 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)noc1CC)Cc1ccccc1 ZINC000930476261 639006951 /nfs/dbraw/zinc/00/69/51/639006951.db2.gz OGJGVOPXMQSYEX-UHFFFAOYSA-N 1 2 268.360 3.181 20 30 CGEDLO C#CC[N@H+](Cc1c(C)noc1CC)Cc1ccccc1 ZINC000930476261 639006954 /nfs/dbraw/zinc/00/69/54/639006954.db2.gz OGJGVOPXMQSYEX-UHFFFAOYSA-N 1 2 268.360 3.181 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859152775 639091957 /nfs/dbraw/zinc/09/19/57/639091957.db2.gz VWFFYJRBEUHURC-IAGOWNOFSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859152775 639091960 /nfs/dbraw/zinc/09/19/60/639091960.db2.gz VWFFYJRBEUHURC-IAGOWNOFSA-N 1 2 295.361 3.492 20 30 CGEDLO C=C(CC)C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931390207 639144260 /nfs/dbraw/zinc/14/42/60/639144260.db2.gz UXEGUCKMAKUGLO-QGZVFWFLSA-N 1 2 285.366 3.463 20 30 CGEDLO C=C(CC)C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931390207 639144262 /nfs/dbraw/zinc/14/42/62/639144262.db2.gz UXEGUCKMAKUGLO-QGZVFWFLSA-N 1 2 285.366 3.463 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631121 639472521 /nfs/dbraw/zinc/47/25/21/639472521.db2.gz VQFDFIYQQCOGCU-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631121 639472525 /nfs/dbraw/zinc/47/25/25/639472525.db2.gz VQFDFIYQQCOGCU-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C=C(Br)C[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000076016163 640166885 /nfs/dbraw/zinc/16/68/85/640166885.db2.gz OBCQEFWBPPARCD-CQSZACIVSA-N 1 2 298.224 3.259 20 30 CGEDLO C=C(Br)C[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000076016163 640166890 /nfs/dbraw/zinc/16/68/90/640166890.db2.gz OBCQEFWBPPARCD-CQSZACIVSA-N 1 2 298.224 3.259 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006936941 640938492 /nfs/dbraw/zinc/93/84/92/640938492.db2.gz FSIJPQPFLSLJDP-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006936941 640938498 /nfs/dbraw/zinc/93/84/98/640938498.db2.gz FSIJPQPFLSLJDP-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(C)C(=O)NCCCNc1cc(C)c2cccc(C)c2[nH+]1 ZINC001156821244 805738203 /nfs/dbraw/zinc/73/82/03/805738203.db2.gz SVXAIPRICBAZSO-UHFFFAOYSA-N 1 2 297.402 3.346 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(C#N)ccc1F ZINC001250632877 805739294 /nfs/dbraw/zinc/73/92/94/805739294.db2.gz OVQILVZQVCTKTG-UHFFFAOYSA-N 1 2 255.296 3.134 20 30 CGEDLO CCCCCCCC[C@H](O)CNc1[nH+]cccc1O ZINC001252122090 806009565 /nfs/dbraw/zinc/00/95/65/806009565.db2.gz QAIONFUSEVLFTR-ZDUSSCGKSA-N 1 2 266.385 3.311 20 30 CGEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001252557374 806063269 /nfs/dbraw/zinc/06/32/69/806063269.db2.gz LRKQBIUBPQQACX-GJZGRUSLSA-N 1 2 281.346 3.048 20 30 CGEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001252557374 806063278 /nfs/dbraw/zinc/06/32/78/806063278.db2.gz LRKQBIUBPQQACX-GJZGRUSLSA-N 1 2 281.346 3.048 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001252602796 806082464 /nfs/dbraw/zinc/08/24/64/806082464.db2.gz WXJLWTGKSVSTGM-CZUORRHYSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001252602796 806082473 /nfs/dbraw/zinc/08/24/73/806082473.db2.gz WXJLWTGKSVSTGM-CZUORRHYSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001253227305 806183806 /nfs/dbraw/zinc/18/38/06/806183806.db2.gz GGOMSJJWPBHAPK-AWEZNQCLSA-N 1 2 263.385 3.084 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001253247192 806193802 /nfs/dbraw/zinc/19/38/02/806193802.db2.gz GWRVIZUZJHNNPL-AWEZNQCLSA-N 1 2 295.427 3.170 20 30 CGEDLO C#CC[C@H]([NH2+]C1CCC(C(C)(C)CC)CC1)C(=O)OC ZINC001257403921 807139391 /nfs/dbraw/zinc/13/93/91/807139391.db2.gz CRLCHXZHSJTFFR-NRXISQOPSA-N 1 2 279.424 3.136 20 30 CGEDLO O=C1C=C2C[N@H+](C3CCc4ccccc4CC3)CC[C@@H]2S1 ZINC001254458261 806409252 /nfs/dbraw/zinc/40/92/52/806409252.db2.gz NWCJPSBLYRWWTD-KRWDZBQOSA-N 1 2 299.439 3.208 20 30 CGEDLO O=C1C=C2C[N@@H+](C3CCc4ccccc4CC3)CC[C@@H]2S1 ZINC001254458261 806409256 /nfs/dbraw/zinc/40/92/56/806409256.db2.gz NWCJPSBLYRWWTD-KRWDZBQOSA-N 1 2 299.439 3.208 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001255164578 806563134 /nfs/dbraw/zinc/56/31/34/806563134.db2.gz OLAQKMPDHBOMHY-RNCFNFMXSA-N 1 2 250.292 3.234 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC001255171956 806565194 /nfs/dbraw/zinc/56/51/94/806565194.db2.gz FYQNZVHQBSSTJM-GJZGRUSLSA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC001255171956 806565197 /nfs/dbraw/zinc/56/51/97/806565197.db2.gz FYQNZVHQBSSTJM-GJZGRUSLSA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCC(C(=O)c2ccccc2F)CC1 ZINC001255176897 806570755 /nfs/dbraw/zinc/57/07/55/806570755.db2.gz HTSYLHNQARBMFB-CQSZACIVSA-N 1 2 288.366 3.413 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1c(C)cc(C)[nH]c1=O ZINC001162599013 806627202 /nfs/dbraw/zinc/62/72/02/806627202.db2.gz BJPFUJNYSKNCMH-UHFFFAOYSA-N 1 2 283.375 3.448 20 30 CGEDLO CCCOc1c(Cl)cc(C[NH2+]CCC#N)cc1OC ZINC000345290412 799295518 /nfs/dbraw/zinc/29/55/18/799295518.db2.gz BCNQIMFTHDJKQD-UHFFFAOYSA-N 1 2 282.771 3.141 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C(=O)OCC ZINC001255854923 806770456 /nfs/dbraw/zinc/77/04/56/806770456.db2.gz XLHDSSKXLJMJBA-NWDGAFQWSA-N 1 2 273.442 3.004 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000822658623 800463799 /nfs/dbraw/zinc/46/37/99/800463799.db2.gz DCMZINHYRORMKI-DZGCQCFKSA-N 1 2 288.391 3.262 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081569 800829456 /nfs/dbraw/zinc/82/94/56/800829456.db2.gz UKWYIJIISDHNAY-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081569 800829460 /nfs/dbraw/zinc/82/94/60/800829460.db2.gz UKWYIJIISDHNAY-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001256363106 806867948 /nfs/dbraw/zinc/86/79/48/806867948.db2.gz GPIYGPZAZUFGOC-DGCLKSJQSA-N 1 2 253.411 3.085 20 30 CGEDLO CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001256363106 806867956 /nfs/dbraw/zinc/86/79/56/806867956.db2.gz GPIYGPZAZUFGOC-DGCLKSJQSA-N 1 2 253.411 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574012 800967611 /nfs/dbraw/zinc/96/76/11/800967611.db2.gz LFFRXGDDQTXNDJ-ZFWWWQNUSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574012 800967614 /nfs/dbraw/zinc/96/76/14/800967614.db2.gz LFFRXGDDQTXNDJ-ZFWWWQNUSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001038922581 801136342 /nfs/dbraw/zinc/13/63/42/801136342.db2.gz XRRMOOLFJOEVJT-OAHLLOKOSA-N 1 2 298.386 3.040 20 30 CGEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC001038922581 801136348 /nfs/dbraw/zinc/13/63/48/801136348.db2.gz XRRMOOLFJOEVJT-OAHLLOKOSA-N 1 2 298.386 3.040 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831147 801328169 /nfs/dbraw/zinc/32/81/69/801328169.db2.gz GNKCQGAKIRFLLW-INIZCTEOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046831147 801328178 /nfs/dbraw/zinc/32/81/78/801328178.db2.gz GNKCQGAKIRFLLW-INIZCTEOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071332533 801528010 /nfs/dbraw/zinc/52/80/10/801528010.db2.gz SEKBTKBSFNWQNM-YPMHNXCESA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071332533 801528012 /nfs/dbraw/zinc/52/80/12/801528012.db2.gz SEKBTKBSFNWQNM-YPMHNXCESA-N 1 2 298.839 3.083 20 30 CGEDLO CC#CC[NH+]1CCN(C(=O)CCCCCCCCC)CC1 ZINC001113578789 802229877 /nfs/dbraw/zinc/22/98/77/802229877.db2.gz TYJIZAINLFNGEX-UHFFFAOYSA-N 1 2 292.467 3.295 20 30 CGEDLO Cc1c(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cnn1C(C)C ZINC001117351399 802462760 /nfs/dbraw/zinc/46/27/60/802462760.db2.gz QIRDZSILYMIEAN-CMDGGOBGSA-N 1 2 298.390 3.130 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nn(C)cc1C)c1ccc(F)c(F)c1 ZINC001119742305 802696436 /nfs/dbraw/zinc/69/64/36/802696436.db2.gz IBLUYPUZMCOZNK-MRXNPFEDSA-N 1 2 291.345 3.414 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(F)c1Cl ZINC001201291665 811808371 /nfs/dbraw/zinc/80/83/71/811808371.db2.gz LZBMTYZERCXCML-UHFFFAOYSA-N 1 2 262.675 3.072 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cscc2C#N)c(C)[nH+]1 ZINC001125473588 803063326 /nfs/dbraw/zinc/06/33/26/803063326.db2.gz JUBBXLGJABVYLW-UHFFFAOYSA-N 1 2 271.345 3.192 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)C)cc2C)cc[nH+]1 ZINC001211810779 814944267 /nfs/dbraw/zinc/94/42/67/814944267.db2.gz ZHIKEEYLZSBUDO-UHFFFAOYSA-N 1 2 266.344 3.324 20 30 CGEDLO CCc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1C#N ZINC001244951878 803589363 /nfs/dbraw/zinc/58/93/63/803589363.db2.gz FGLPTFQFKKXGJY-UHFFFAOYSA-N 1 2 251.333 3.249 20 30 CGEDLO CCc1cc(-c2ccn3cc(N)[nH+]c3c2)ccc1C#N ZINC001244953422 803590079 /nfs/dbraw/zinc/59/00/79/803590079.db2.gz WIOAJTSBIXBIEY-UHFFFAOYSA-N 1 2 262.316 3.018 20 30 CGEDLO CN(C)C=[NH+]c1ccc(-c2cc3cccnc3[nH]2)cc1C#N ZINC001245405780 803730965 /nfs/dbraw/zinc/73/09/65/803730965.db2.gz YQKMKXACOQFDTL-RGVLZGJSSA-N 1 2 289.342 3.323 20 30 CGEDLO Cc1cc(-c2ccnc3ccc(C#N)cc32)c[nH+]c1N ZINC001245538144 803796746 /nfs/dbraw/zinc/79/67/46/803796746.db2.gz XDSJKKNQGBCVIH-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO Cc1ccc(C#N)c(-c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC001245601580 803845871 /nfs/dbraw/zinc/84/58/71/803845871.db2.gz UABDZFYPMXMCHP-UHFFFAOYSA-N 1 2 260.300 3.114 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138481132 803947107 /nfs/dbraw/zinc/94/71/07/803947107.db2.gz GKTPDIVGIWOKJB-UHFFFAOYSA-N 1 2 282.170 3.070 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCCC(=O)CC1 ZINC001138662466 803997916 /nfs/dbraw/zinc/99/79/16/803997916.db2.gz YYNFAZOCLIOARY-UHFFFAOYSA-N 1 2 273.376 3.197 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCCC(=O)CC1 ZINC001138662466 803997925 /nfs/dbraw/zinc/99/79/25/803997925.db2.gz YYNFAZOCLIOARY-UHFFFAOYSA-N 1 2 273.376 3.197 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cnc2Cl)C1 ZINC001139359678 804183869 /nfs/dbraw/zinc/18/38/69/804183869.db2.gz WLQXCRAVLMTUCK-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cnc2Cl)C1 ZINC001139359678 804183871 /nfs/dbraw/zinc/18/38/71/804183871.db2.gz WLQXCRAVLMTUCK-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO CC(C)O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692594 804256953 /nfs/dbraw/zinc/25/69/53/804256953.db2.gz DDXLVKPDIRHSOZ-CYBMUJFWSA-N 1 2 278.783 3.211 20 30 CGEDLO CC(C)O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692594 804256960 /nfs/dbraw/zinc/25/69/60/804256960.db2.gz DDXLVKPDIRHSOZ-CYBMUJFWSA-N 1 2 278.783 3.211 20 30 CGEDLO C=CCn1cc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)cn1 ZINC001139772734 804280184 /nfs/dbraw/zinc/28/01/84/804280184.db2.gz QCJNONKICKHCDE-UHFFFAOYSA-N 1 2 297.402 3.162 20 30 CGEDLO C=CCn1cc(C[N@H+](CC(=O)c2ccccc2)C(C)C)cn1 ZINC001139772734 804280192 /nfs/dbraw/zinc/28/01/92/804280192.db2.gz QCJNONKICKHCDE-UHFFFAOYSA-N 1 2 297.402 3.162 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(F)c(Cl)cc2F)CC1 ZINC001140702824 804493437 /nfs/dbraw/zinc/49/34/37/804493437.db2.gz YFOZUULDRDHZTB-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnccc1C(F)(F)F ZINC001140917850 804547501 /nfs/dbraw/zinc/54/75/01/804547501.db2.gz BOAIXWRIJFBNAF-UOJUARBOSA-N 1 2 295.308 3.367 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnccc1C(F)(F)F ZINC001140917850 804547504 /nfs/dbraw/zinc/54/75/04/804547504.db2.gz BOAIXWRIJFBNAF-UOJUARBOSA-N 1 2 295.308 3.367 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(O)c(F)c1 ZINC001140991869 804563591 /nfs/dbraw/zinc/56/35/91/804563591.db2.gz CRTXATKYESMCAR-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(O)c(F)c1 ZINC001140991869 804563596 /nfs/dbraw/zinc/56/35/96/804563596.db2.gz CRTXATKYESMCAR-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141230809 804617193 /nfs/dbraw/zinc/61/71/93/804617193.db2.gz MWOFBYQMDPNLMS-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141230809 804617196 /nfs/dbraw/zinc/61/71/96/804617196.db2.gz MWOFBYQMDPNLMS-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO N#Cc1ccc2c(C[N@@H+]3CCC(F)(F)[C@H](F)C3)c[nH]c2c1 ZINC001142911827 804781821 /nfs/dbraw/zinc/78/18/21/804781821.db2.gz KZYGONPXUHFUNT-CQSZACIVSA-N 1 2 293.292 3.219 20 30 CGEDLO N#Cc1ccc2c(C[N@H+]3CCC(F)(F)[C@H](F)C3)c[nH]c2c1 ZINC001142911827 804781825 /nfs/dbraw/zinc/78/18/25/804781825.db2.gz KZYGONPXUHFUNT-CQSZACIVSA-N 1 2 293.292 3.219 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(OC)cc(C)cc1OC ZINC001143143798 804808556 /nfs/dbraw/zinc/80/85/56/804808556.db2.gz XHGHROXHKGBKNS-UHFFFAOYSA-N 1 2 261.365 3.186 20 30 CGEDLO COc1c(F)ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143321399 804835113 /nfs/dbraw/zinc/83/51/13/804835113.db2.gz FVRMWAQNRUUIPE-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143321399 804835118 /nfs/dbraw/zinc/83/51/18/804835118.db2.gz FVRMWAQNRUUIPE-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143897216 804903307 /nfs/dbraw/zinc/90/33/07/804903307.db2.gz AJCJXQHBUSMLQQ-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143897216 804903310 /nfs/dbraw/zinc/90/33/10/804903310.db2.gz AJCJXQHBUSMLQQ-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO CC1(C#N)C[NH+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257017727 807029106 /nfs/dbraw/zinc/02/91/06/807029106.db2.gz YXHXRZHAPRYUQA-UHFFFAOYSA-N 1 2 279.387 3.430 20 30 CGEDLO COc1cc(OC)c(C[N@@H+]2CC[C@H](C#N)C2)c2ccccc12 ZINC001249445865 805152053 /nfs/dbraw/zinc/15/20/53/805152053.db2.gz UHTDQQWRIRBSDL-CYBMUJFWSA-N 1 2 296.370 3.202 20 30 CGEDLO COc1cc(OC)c(C[N@H+]2CC[C@H](C#N)C2)c2ccccc12 ZINC001249445865 805152056 /nfs/dbraw/zinc/15/20/56/805152056.db2.gz UHTDQQWRIRBSDL-CYBMUJFWSA-N 1 2 296.370 3.202 20 30 CGEDLO C#Cc1cc(Nc2ccc(Cl)c(C)c2C)cc[nH+]1 ZINC001250044815 805384921 /nfs/dbraw/zinc/38/49/21/805384921.db2.gz WOADFRRZYGNBDP-UHFFFAOYSA-N 1 2 256.736 3.499 20 30 CGEDLO N#Cc1cccc(Cc2ccc[nH+]c2N2CCCC2)c1 ZINC001250048658 805387866 /nfs/dbraw/zinc/38/78/66/805387866.db2.gz GRFGWGCQEQYGLA-UHFFFAOYSA-N 1 2 263.344 3.144 20 30 CGEDLO CC[C@@H](C#N)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013217 807028446 /nfs/dbraw/zinc/02/84/46/807028446.db2.gz DGGNGDYVZHGHLF-CGZBRXJRSA-N 1 2 267.376 3.476 20 30 CGEDLO Cc1cc(N2CCC[C@H](CC#N)C2)nc(C(C)C)[nH+]1 ZINC001166741687 807089654 /nfs/dbraw/zinc/08/96/54/807089654.db2.gz ROWMDRXXFLOSNQ-CYBMUJFWSA-N 1 2 258.369 3.039 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCc1ccccc1C#N ZINC001167637010 807222424 /nfs/dbraw/zinc/22/24/24/807222424.db2.gz BQMWIFMOEWILPH-UHFFFAOYSA-N 1 2 267.332 3.353 20 30 CGEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257874484 807233262 /nfs/dbraw/zinc/23/32/62/807233262.db2.gz ADLKLYMWDFAIMC-SLTAFYQDSA-N 1 2 252.402 3.250 20 30 CGEDLO C#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001212695358 815105208 /nfs/dbraw/zinc/10/52/08/815105208.db2.gz BNAQHTQJUOYGBX-UHFFFAOYSA-N 1 2 274.327 3.051 20 30 CGEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@](C)(C#N)CC(C)C ZINC001258115042 807313221 /nfs/dbraw/zinc/31/32/21/807313221.db2.gz DKZQRYPIHJDSLO-ZFWWWQNUSA-N 1 2 268.401 3.026 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001168482299 807433142 /nfs/dbraw/zinc/43/31/42/807433142.db2.gz WAMUSQJVDQKAKP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001168482299 807433146 /nfs/dbraw/zinc/43/31/46/807433146.db2.gz WAMUSQJVDQKAKP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001168482299 807433150 /nfs/dbraw/zinc/43/31/50/807433150.db2.gz WAMUSQJVDQKAKP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001168482299 807433153 /nfs/dbraw/zinc/43/31/53/807433153.db2.gz WAMUSQJVDQKAKP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258504388 807481240 /nfs/dbraw/zinc/48/12/40/807481240.db2.gz HSFNYYMIMMNJBY-KRWDZBQOSA-N 1 2 271.408 3.183 20 30 CGEDLO CC1(C)COC2(CCC([N@@H+]3CCCC[C@H]3C#N)CC2)OC1 ZINC001258526566 807484720 /nfs/dbraw/zinc/48/47/20/807484720.db2.gz OMIYYJFWLXTAJO-HNNXBMFYSA-N 1 2 292.423 3.076 20 30 CGEDLO CC1(C)COC2(CCC([N@H+]3CCCC[C@H]3C#N)CC2)OC1 ZINC001258526566 807484726 /nfs/dbraw/zinc/48/47/26/807484726.db2.gz OMIYYJFWLXTAJO-HNNXBMFYSA-N 1 2 292.423 3.076 20 30 CGEDLO C/C(=N\O)c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169008835 807552077 /nfs/dbraw/zinc/55/20/77/807552077.db2.gz IIQVWCBDBMXAGN-DEDYPNTBSA-N 1 2 294.358 3.187 20 30 CGEDLO CC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258846333 807655984 /nfs/dbraw/zinc/65/59/84/807655984.db2.gz OZVSGIVECMMDIB-JKSUJKDBSA-N 1 2 287.428 3.282 20 30 CGEDLO CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258846333 807655990 /nfs/dbraw/zinc/65/59/90/807655990.db2.gz OZVSGIVECMMDIB-JKSUJKDBSA-N 1 2 287.428 3.282 20 30 CGEDLO CN(C)c1cccc(Cl)c1C[NH2+]CC1(C#N)CCC1 ZINC001261375923 807740459 /nfs/dbraw/zinc/74/04/59/807740459.db2.gz CSQZZBVHRZZKJE-UHFFFAOYSA-N 1 2 277.799 3.189 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C)C1 ZINC001170104219 807759897 /nfs/dbraw/zinc/75/98/97/807759897.db2.gz KCRZETCSKQUTJT-XIRDDKMYSA-N 1 2 287.403 3.105 20 30 CGEDLO CC[C@H]1C[C@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001170169807 807785229 /nfs/dbraw/zinc/78/52/29/807785229.db2.gz GEVIHQJJFKJTNO-KGLIPLIRSA-N 1 2 250.386 3.150 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1ccccc1Cl)C(=O)OC ZINC001170265169 807808511 /nfs/dbraw/zinc/80/85/11/807808511.db2.gz FCNFYBHKYDATKP-MLGOLLRUSA-N 1 2 295.810 3.368 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)n[nH]1 ZINC001262020531 807809193 /nfs/dbraw/zinc/80/91/93/807809193.db2.gz DJRNBAGUVJWIMZ-CYBMUJFWSA-N 1 2 272.396 3.016 20 30 CGEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n[nH]1 ZINC001262020531 807809194 /nfs/dbraw/zinc/80/91/94/807809194.db2.gz DJRNBAGUVJWIMZ-CYBMUJFWSA-N 1 2 272.396 3.016 20 30 CGEDLO CC[C@@H](C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170371947 807830526 /nfs/dbraw/zinc/83/05/26/807830526.db2.gz PSBYFXGCUGKYSB-GTPINHCMSA-N 1 2 267.376 3.282 20 30 CGEDLO Cn1c2ccccc2[nH+]c1NC1=CC[C@H](C#N)CC1 ZINC001212855063 815159172 /nfs/dbraw/zinc/15/91/72/815159172.db2.gz RDMCBEAHXMEBOU-NSHDSACASA-N 1 2 252.321 3.193 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933647 807938420 /nfs/dbraw/zinc/93/84/20/807938420.db2.gz JDNJKODVIDZFLS-TZMCWYRMSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933647 807938425 /nfs/dbraw/zinc/93/84/25/807938425.db2.gz JDNJKODVIDZFLS-TZMCWYRMSA-N 1 2 274.795 3.433 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]cc1F ZINC001171373228 808038258 /nfs/dbraw/zinc/03/82/58/808038258.db2.gz QNJURPOXSLOXAR-LBPRGKRZSA-N 1 2 272.323 3.381 20 30 CGEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2c(C)cccc2C1 ZINC001171574756 808101872 /nfs/dbraw/zinc/10/18/72/808101872.db2.gz OYNUPARITGSFPZ-MRXNPFEDSA-N 1 2 256.393 3.478 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2c(C)cccc2C1 ZINC001171574756 808101876 /nfs/dbraw/zinc/10/18/76/808101876.db2.gz OYNUPARITGSFPZ-MRXNPFEDSA-N 1 2 256.393 3.478 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C)cc1Cl)C1CSC1 ZINC001171867860 808150460 /nfs/dbraw/zinc/15/04/60/808150460.db2.gz PVXQXMAPVYVDIN-UHFFFAOYSA-N 1 2 265.809 3.199 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C)cc1Cl)C1CSC1 ZINC001171867860 808150465 /nfs/dbraw/zinc/15/04/65/808150465.db2.gz PVXQXMAPVYVDIN-UHFFFAOYSA-N 1 2 265.809 3.199 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001171943929 808157861 /nfs/dbraw/zinc/15/78/61/808157861.db2.gz GFXKKMNAUWTORQ-NPCAHTBFSA-N 1 2 280.412 3.026 20 30 CGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172308854 808222947 /nfs/dbraw/zinc/22/29/47/808222947.db2.gz AFFPUNLNJYNFKN-OLZOCXBDSA-N 1 2 278.346 3.466 20 30 CGEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172308854 808222950 /nfs/dbraw/zinc/22/29/50/808222950.db2.gz AFFPUNLNJYNFKN-OLZOCXBDSA-N 1 2 278.346 3.466 20 30 CGEDLO CC[NH+](CC)c1ccc(Nc2oc(C)nc2C#N)cc1 ZINC001212968992 815191389 /nfs/dbraw/zinc/19/13/89/815191389.db2.gz FXQOLYFBNZRMMV-UHFFFAOYSA-N 1 2 270.336 3.445 20 30 CGEDLO CCCCCC[C@@H](CCCC)N1CC[NH2+]C[C@H]1C#N ZINC001172511901 808368136 /nfs/dbraw/zinc/36/81/36/808368136.db2.gz ASAHBWVUGSLIRX-HZPDHXFCSA-N 1 2 265.445 3.313 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172654309 808409383 /nfs/dbraw/zinc/40/93/83/808409383.db2.gz AWRVQEHURWPUJP-UHFFFAOYSA-N 1 2 252.402 3.395 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039767 808497482 /nfs/dbraw/zinc/49/74/82/808497482.db2.gz FXEWIDINZAVADI-HNNXBMFYSA-N 1 2 264.413 3.254 20 30 CGEDLO C=CCOC1CCC([NH2+][C@H](C#N)CC(C)C)CC1 ZINC001173318480 808610175 /nfs/dbraw/zinc/61/01/75/808610175.db2.gz WPRDJJRAJXBNHY-SLTAFYQDSA-N 1 2 250.386 3.028 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001268734849 808617380 /nfs/dbraw/zinc/61/73/80/808617380.db2.gz BFXJEZZFYTXEHW-CHWSQXEVSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001268734849 808617384 /nfs/dbraw/zinc/61/73/84/808617384.db2.gz BFXJEZZFYTXEHW-CHWSQXEVSA-N 1 2 288.863 3.248 20 30 CGEDLO N#Cc1cc2c(ccn2-c2ccc(-c3[nH]cc[nH+]3)cc2)c(N)c1 ZINC001213089905 815231219 /nfs/dbraw/zinc/23/12/19/815231219.db2.gz KNCNOCYADQZMRI-UHFFFAOYSA-N 1 2 299.337 3.474 20 30 CGEDLO COc1ccc(C(C)C)cc1[NH+]=C(NO)c1ccccc1N ZINC001173915252 808758066 /nfs/dbraw/zinc/75/80/66/808758066.db2.gz KKTRBACYIHOTJP-UHFFFAOYSA-N 1 2 299.374 3.458 20 30 CGEDLO N#Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(N)c1 ZINC001213351725 815268879 /nfs/dbraw/zinc/26/88/79/815268879.db2.gz XVDIRLSYARLVED-UHFFFAOYSA-N 1 2 283.722 3.185 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001282824038 809265126 /nfs/dbraw/zinc/26/51/26/809265126.db2.gz RMYODOBIVKQQKR-YRBHFNIASA-N 1 2 296.842 3.088 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001282824038 809265128 /nfs/dbraw/zinc/26/51/28/809265128.db2.gz RMYODOBIVKQQKR-YRBHFNIASA-N 1 2 296.842 3.088 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccns1 ZINC001175113275 809277586 /nfs/dbraw/zinc/27/75/86/809277586.db2.gz ZOWCIZOKQAQPPR-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO N#Cc1cc(Nc2cccc(C3CC3)[nH+]2)ccc1N ZINC001213433576 815281098 /nfs/dbraw/zinc/28/10/98/815281098.db2.gz GJVAYYACUFPSPU-UHFFFAOYSA-N 1 2 250.305 3.156 20 30 CGEDLO N#CCc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352551 809373964 /nfs/dbraw/zinc/37/39/64/809373964.db2.gz VVTMRNNJNHOUNW-UHFFFAOYSA-N 1 2 278.359 3.491 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714611 809517671 /nfs/dbraw/zinc/51/76/71/809517671.db2.gz SLIWTNYILNRKPV-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2C(C)(C)C)c1C ZINC001213523124 815297230 /nfs/dbraw/zinc/29/72/30/815297230.db2.gz LPORDDSOMYJUMW-UHFFFAOYSA-N 1 2 269.352 3.265 20 30 CGEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1c[nH+]c(C)cc1C ZINC001213521169 815297395 /nfs/dbraw/zinc/29/73/95/815297395.db2.gz XLGOWOLNHIXPTD-UHFFFAOYSA-N 1 2 295.342 3.409 20 30 CGEDLO COc1cc(C#N)c(Nc2c[nH+]cc(C)c2C)cc1OC ZINC001213531074 815299573 /nfs/dbraw/zinc/29/95/73/815299573.db2.gz UTKQPKLFKISXNN-UHFFFAOYSA-N 1 2 283.331 3.331 20 30 CGEDLO COc1cc[nH+]cc1Nc1c(C)cc(C#N)cc1C ZINC001176120770 809627407 /nfs/dbraw/zinc/62/74/07/809627407.db2.gz KPOPFYUCAIHGBI-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(F)c(F)c(C#N)c1F ZINC001176124231 809630455 /nfs/dbraw/zinc/63/04/55/809630455.db2.gz JYLCKEGRMSYXTB-UHFFFAOYSA-N 1 2 279.221 3.123 20 30 CGEDLO CCCCCCC[C@@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001181135377 810040829 /nfs/dbraw/zinc/04/08/29/810040829.db2.gz VLAGXEKGVILRBE-CQSZACIVSA-N 1 2 279.428 3.075 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001198526835 811511032 /nfs/dbraw/zinc/51/10/32/811511032.db2.gz VJIUYEGRLQFIFC-ZDUSSCGKSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001198526835 811511036 /nfs/dbraw/zinc/51/10/36/811511036.db2.gz VJIUYEGRLQFIFC-ZDUSSCGKSA-N 1 2 251.732 3.467 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001202475066 812102867 /nfs/dbraw/zinc/10/28/67/812102867.db2.gz OGOZDTPIBUHTSA-UHFFFAOYSA-N 1 2 289.737 3.456 20 30 CGEDLO N#Cc1ncc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1F ZINC001203049349 812230249 /nfs/dbraw/zinc/23/02/49/812230249.db2.gz OFJBIBUXUMUDFT-UHFFFAOYSA-N 1 2 287.685 3.137 20 30 CGEDLO Cc1ccc(Nc2cc(Cl)cnc2C#N)c(C)[nH+]1 ZINC001203369232 812326713 /nfs/dbraw/zinc/32/67/13/812326713.db2.gz LOCFSCUZAYAWLL-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO CNc1ccc(Nc2ccc(C#N)c(Cl)c2)c[nH+]1 ZINC001203455128 812365255 /nfs/dbraw/zinc/36/52/55/812365255.db2.gz PYVZRFSDEYCFFP-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO CNc1ccc(Nc2ccc(Cl)cc2C#N)c[nH+]1 ZINC001203458533 812366928 /nfs/dbraw/zinc/36/69/28/812366928.db2.gz NVKCNDAKSRTYRE-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO N#Cc1ccc(Nc2cccn3cc[nH+]c23)cc1F ZINC001204036959 812529081 /nfs/dbraw/zinc/52/90/81/812529081.db2.gz PMLRFRZZBNJVNZ-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO N#Cc1ccccc1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001204372697 812622426 /nfs/dbraw/zinc/62/24/26/812622426.db2.gz GIDLQHFQQWJLCD-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncc(OCC)c1)c1ccc(F)cc1 ZINC001205981287 813151819 /nfs/dbraw/zinc/15/18/19/813151819.db2.gz YMZMIVZSMXTTER-KRWDZBQOSA-N 1 2 284.334 3.084 20 30 CGEDLO C=C/C(=[NH+]\COC)c1cc(F)cc(N2CCCC2)c1 ZINC001206099564 813200524 /nfs/dbraw/zinc/20/05/24/813200524.db2.gz JGDYAOGTRBFNSR-BMRADRMJSA-N 1 2 262.328 3.005 20 30 CGEDLO C#CC[N@@H+](Cc1ncccc1OC)[C@@H]1CCc2ccccc21 ZINC001206644077 813385193 /nfs/dbraw/zinc/38/51/93/813385193.db2.gz HVVCSKFYNKDZOJ-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO C#CC[N@H+](Cc1ncccc1OC)[C@@H]1CCc2ccccc21 ZINC001206644077 813385203 /nfs/dbraw/zinc/38/52/03/813385203.db2.gz HVVCSKFYNKDZOJ-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OC ZINC001207128988 813492691 /nfs/dbraw/zinc/49/26/91/813492691.db2.gz IXSALRBEZYSUOP-GDBMZVCRSA-N 1 2 275.392 3.278 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@H]2S1 ZINC001207128563 813492815 /nfs/dbraw/zinc/49/28/15/813492815.db2.gz QBLAINILVZJEMK-CYBMUJFWSA-N 1 2 295.354 3.398 20 30 CGEDLO O=C1C=C2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@H]2S1 ZINC001207128563 813492818 /nfs/dbraw/zinc/49/28/18/813492818.db2.gz QBLAINILVZJEMK-CYBMUJFWSA-N 1 2 295.354 3.398 20 30 CGEDLO C=CCC1(O)C[NH+](C/C=C\c2c(C)cc(C)cc2C)C1 ZINC001207798191 813652245 /nfs/dbraw/zinc/65/22/45/813652245.db2.gz DEKLZWABNHQSBJ-SREVYHEPSA-N 1 2 271.404 3.248 20 30 CGEDLO CC1(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CCCCC1 ZINC001208896597 813886735 /nfs/dbraw/zinc/88/67/35/813886735.db2.gz NAXWBYTXALYJDF-ZDUSSCGKSA-N 1 2 265.422 3.231 20 30 CGEDLO CC1(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CCCCC1 ZINC001208896597 813886742 /nfs/dbraw/zinc/88/67/42/813886742.db2.gz NAXWBYTXALYJDF-ZDUSSCGKSA-N 1 2 265.422 3.231 20 30 CGEDLO C=CCCCN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001209164985 813955018 /nfs/dbraw/zinc/95/50/18/813955018.db2.gz MDDDRTGVRWRQRH-CQSZACIVSA-N 1 2 272.383 3.148 20 30 CGEDLO CC(C)Cn1c[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001210150869 814313733 /nfs/dbraw/zinc/31/37/33/814313733.db2.gz PYZLZFRKFVEPCX-UHFFFAOYSA-N 1 2 261.369 3.224 20 30 CGEDLO Cc1[nH+]cc(Nc2nc(C(F)(F)F)ccc2C#N)cc1N ZINC001210287263 814380318 /nfs/dbraw/zinc/38/03/18/814380318.db2.gz OKKBXRSTDVJHJS-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO COc1cc(Nc2cccc(C)c2C#N)cc(C)[nH+]1 ZINC001210780010 814624665 /nfs/dbraw/zinc/62/46/65/814624665.db2.gz BLTWNCWGURLDBK-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc(Nc2cc(C)ccc2C#N)cc(C)[nH+]1 ZINC001210780036 814624842 /nfs/dbraw/zinc/62/48/42/814624842.db2.gz CSEHEBBFHDWIPR-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc(Nc2cc(C#N)ccc2F)cc(C)[nH+]1 ZINC001210781084 814627043 /nfs/dbraw/zinc/62/70/43/814627043.db2.gz MIUVXPYETYHPKH-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO C#Cc1cc(Nc2cc(C)[nH+]c(OC)c2)ccc1F ZINC001210780877 814627711 /nfs/dbraw/zinc/62/77/11/814627711.db2.gz JXXWRLQAMJNAMX-UHFFFAOYSA-N 1 2 256.280 3.263 20 30 CGEDLO C#Cc1cc(Nc2ccc(C)cc2OC(C)C)cc[nH+]1 ZINC001215877038 815621068 /nfs/dbraw/zinc/62/10/68/815621068.db2.gz GCEOIKOGPVVDMQ-UHFFFAOYSA-N 1 2 266.344 3.324 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(C#Cc2ccccc2)cc1 ZINC001243069983 823235212 /nfs/dbraw/zinc/23/52/12/823235212.db2.gz CXFFEMYNTZBAKA-UHFFFAOYSA-N 1 2 258.324 3.487 20 30 CGEDLO Cc1nc(OC2C[NH+](C(C)(C)C)C2)c(C#N)c(C)c1Cl ZINC001227829060 817728879 /nfs/dbraw/zinc/72/88/79/817728879.db2.gz ZZXKXOPBQUKYMZ-UHFFFAOYSA-N 1 2 293.798 3.085 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)cc1C(C)C ZINC001231626064 818141041 /nfs/dbraw/zinc/14/10/41/818141041.db2.gz IGDPEUZYUMCFBC-AWEZNQCLSA-N 1 2 272.392 3.473 20 30 CGEDLO COc1cc(C)c(C[N@H+]2CC[C@@H](C#N)C2)cc1C(C)C ZINC001231626064 818141043 /nfs/dbraw/zinc/14/10/43/818141043.db2.gz IGDPEUZYUMCFBC-AWEZNQCLSA-N 1 2 272.392 3.473 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(O)c1 ZINC001231734327 818163235 /nfs/dbraw/zinc/16/32/35/818163235.db2.gz VTXIOVWJHPBENF-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(O)c1 ZINC001231734327 818163230 /nfs/dbraw/zinc/16/32/30/818163230.db2.gz VTXIOVWJHPBENF-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccnc(C(F)F)c1)CC2 ZINC001231887882 818203641 /nfs/dbraw/zinc/20/36/41/818203641.db2.gz ZJTPULFFRPVPGP-UHFFFAOYSA-N 1 2 299.324 3.449 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccnc(C(F)F)c1)CC2 ZINC001231887882 818203646 /nfs/dbraw/zinc/20/36/46/818203646.db2.gz ZJTPULFFRPVPGP-UHFFFAOYSA-N 1 2 299.324 3.449 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071887 818247601 /nfs/dbraw/zinc/24/76/01/818247601.db2.gz RYROEPKPFJOYNG-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071887 818247606 /nfs/dbraw/zinc/24/76/06/818247606.db2.gz RYROEPKPFJOYNG-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(OCC)nc1C ZINC001232312661 818313505 /nfs/dbraw/zinc/31/35/05/818313505.db2.gz WLIKKPCHNRRIIH-UHFFFAOYSA-N 1 2 275.396 3.305 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OCC)nc1C ZINC001232312661 818313532 /nfs/dbraw/zinc/31/35/32/818313532.db2.gz WLIKKPCHNRRIIH-UHFFFAOYSA-N 1 2 275.396 3.305 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001232606314 818394238 /nfs/dbraw/zinc/39/42/38/818394238.db2.gz NXNGSOYXGRMLKV-WBMJQRKESA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001232606314 818394243 /nfs/dbraw/zinc/39/42/43/818394243.db2.gz NXNGSOYXGRMLKV-WBMJQRKESA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232678229 818416964 /nfs/dbraw/zinc/41/69/64/818416964.db2.gz RDMACUKSNOHKDX-CYBMUJFWSA-N 1 2 278.355 3.211 20 30 CGEDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232678229 818416967 /nfs/dbraw/zinc/41/69/67/818416967.db2.gz RDMACUKSNOHKDX-CYBMUJFWSA-N 1 2 278.355 3.211 20 30 CGEDLO Cc1cccc(CC[N@@H+](C)Cc2cc(C#N)ccc2O)c1 ZINC001232679156 818418065 /nfs/dbraw/zinc/41/80/65/818418065.db2.gz FHOQAMDHAUQJCE-UHFFFAOYSA-N 1 2 280.371 3.247 20 30 CGEDLO Cc1cccc(CC[N@H+](C)Cc2cc(C#N)ccc2O)c1 ZINC001232679156 818418068 /nfs/dbraw/zinc/41/80/68/818418068.db2.gz FHOQAMDHAUQJCE-UHFFFAOYSA-N 1 2 280.371 3.247 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001232678875 818418112 /nfs/dbraw/zinc/41/81/12/818418112.db2.gz SIQXOXKVQFTOHB-DZGCQCFKSA-N 1 2 256.349 3.028 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001232678875 818418116 /nfs/dbraw/zinc/41/81/16/818418116.db2.gz SIQXOXKVQFTOHB-DZGCQCFKSA-N 1 2 256.349 3.028 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1Cl ZINC001232925104 818475189 /nfs/dbraw/zinc/47/51/89/818475189.db2.gz MBTGQWLYNKKEOZ-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1Cl ZINC001232925104 818475190 /nfs/dbraw/zinc/47/51/90/818475190.db2.gz MBTGQWLYNKKEOZ-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO Cc1ccc(Cl)cc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001233248620 818551846 /nfs/dbraw/zinc/55/18/46/818551846.db2.gz RYANYXKORAFCJO-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(Cl)cc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001233248620 818551853 /nfs/dbraw/zinc/55/18/53/818551853.db2.gz RYANYXKORAFCJO-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO COc1c(O)cccc1C[N@H+](CCC#N)C1CCCC1 ZINC001233256723 818556528 /nfs/dbraw/zinc/55/65/28/818556528.db2.gz RPGCMALYLJBGNK-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO COc1c(O)cccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001233256723 818556532 /nfs/dbraw/zinc/55/65/32/818556532.db2.gz RPGCMALYLJBGNK-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233391713 818608797 /nfs/dbraw/zinc/60/87/97/818608797.db2.gz SXMWPPOPQNMJCR-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233391713 818608800 /nfs/dbraw/zinc/60/88/00/818608800.db2.gz SXMWPPOPQNMJCR-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ccc(C#N)cc1-c1cc(C)c2[nH+]ccn2c1 ZINC001236543924 819531043 /nfs/dbraw/zinc/53/10/43/819531043.db2.gz RRXNQSSCVAATGC-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001236675041 819566867 /nfs/dbraw/zinc/56/68/67/819566867.db2.gz DBBOWONYQLPPMN-ZDUSSCGKSA-N 1 2 266.344 3.194 20 30 CGEDLO COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001236675041 819566875 /nfs/dbraw/zinc/56/68/75/819566875.db2.gz DBBOWONYQLPPMN-ZDUSSCGKSA-N 1 2 266.344 3.194 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236793663 819598228 /nfs/dbraw/zinc/59/82/28/819598228.db2.gz NFXOPKLHPFRYDP-UHFFFAOYSA-N 1 2 285.174 3.435 20 30 CGEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)cc1F ZINC001236834524 819613809 /nfs/dbraw/zinc/61/38/09/819613809.db2.gz NFJDWQGBFNLVGE-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)cc1F ZINC001236834524 819613811 /nfs/dbraw/zinc/61/38/11/819613811.db2.gz NFJDWQGBFNLVGE-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546525 819777315 /nfs/dbraw/zinc/77/73/15/819777315.db2.gz LRYYGMDCEMSVFO-CQSZACIVSA-N 1 2 263.344 3.094 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546525 819777319 /nfs/dbraw/zinc/77/73/19/819777319.db2.gz LRYYGMDCEMSVFO-CQSZACIVSA-N 1 2 263.344 3.094 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237622020 819789310 /nfs/dbraw/zinc/78/93/10/819789310.db2.gz LVJMMOKXZQMJNY-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237622020 819789313 /nfs/dbraw/zinc/78/93/13/819789313.db2.gz LVJMMOKXZQMJNY-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC(S)CC1 ZINC001237799148 819844478 /nfs/dbraw/zinc/84/44/78/819844478.db2.gz OGUHTDMWJTVOMC-UHFFFAOYSA-N 1 2 275.776 3.079 20 30 CGEDLO CSc1cc(C)cc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001238685243 820084368 /nfs/dbraw/zinc/08/43/68/820084368.db2.gz LMZAYRPTWDGGOG-ZDUSSCGKSA-N 1 2 260.406 3.453 20 30 CGEDLO CSc1cc(C)cc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001238685243 820084377 /nfs/dbraw/zinc/08/43/77/820084377.db2.gz LMZAYRPTWDGGOG-ZDUSSCGKSA-N 1 2 260.406 3.453 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001238768425 820112461 /nfs/dbraw/zinc/11/24/61/820112461.db2.gz WDQJSTKYAOWYPW-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001238768425 820112467 /nfs/dbraw/zinc/11/24/67/820112467.db2.gz WDQJSTKYAOWYPW-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO N#Cc1ccc2c(c1)nccc2-c1ccc2[nH+]ccn2c1 ZINC001240217694 820888893 /nfs/dbraw/zinc/88/88/93/820888893.db2.gz MCGLKZBUHVBUHS-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1cc(C(F)(F)F)cc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240495943 821091634 /nfs/dbraw/zinc/09/16/34/821091634.db2.gz AXQMGCZPVVKRCB-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO CO/N=C/c1cc(-c2cc(C)[nH+]c(C)c2)ccc1F ZINC001241996434 822264891 /nfs/dbraw/zinc/26/48/91/822264891.db2.gz QJZSROVDJYVLCD-RQZCQDPDSA-N 1 2 258.296 3.485 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2cncc(C#N)c2)cc1 ZINC001242275190 822933957 /nfs/dbraw/zinc/93/39/57/822933957.db2.gz USDUOTKBNVIVAE-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO COc1cccc(-c2[nH+]c(C)cc3[nH]ccc32)c1C#N ZINC001242297549 822942957 /nfs/dbraw/zinc/94/29/57/822942957.db2.gz KFZZAUVQWYETQP-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO CN(C)c1cc(-c2cc(Cl)cc(C#N)c2)cc[nH+]1 ZINC001242566972 823036923 /nfs/dbraw/zinc/03/69/23/823036923.db2.gz HPPUDQQKCYCVNO-UHFFFAOYSA-N 1 2 257.724 3.340 20 30 CGEDLO Cc1cn2cc(-c3ccc(F)cc3C#N)ccc2[nH+]1 ZINC001242581743 823042770 /nfs/dbraw/zinc/04/27/70/823042770.db2.gz KFARTOAQGHVTCG-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#Cc1ccc(NC(=O)CCCn2cc[nH+]c2)c(C2CC2)c1 ZINC001338335514 936318096 /nfs/dbraw/zinc/31/80/96/936318096.db2.gz LILPZEYUHLFIQD-UHFFFAOYSA-N 1 2 294.358 3.051 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001346488759 936850659 /nfs/dbraw/zinc/85/06/59/936850659.db2.gz HTUONCSKWSQGLH-CQSZACIVSA-N 1 2 284.363 3.297 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CCCCC(C)C)C1 ZINC001481650990 927047361 /nfs/dbraw/zinc/04/73/61/927047361.db2.gz YCXKPFWGZMVBQG-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C[NH+](C)c1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000058946911 927538767 /nfs/dbraw/zinc/53/87/67/927538767.db2.gz MHFLZKMTXOJEJC-UHFFFAOYSA-N 1 2 251.333 3.236 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001483885066 927638403 /nfs/dbraw/zinc/63/84/03/927638403.db2.gz IJMAFIJSTUXNQY-CQSZACIVSA-N 1 2 280.456 3.168 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C(=O)OCC ZINC001560987076 937238989 /nfs/dbraw/zinc/23/89/89/937238989.db2.gz PUCQMKDRUUGXLN-OAHLLOKOSA-N 1 2 295.810 3.370 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCC1CCCCC1 ZINC001492840551 937241487 /nfs/dbraw/zinc/24/14/87/937241487.db2.gz RRZWJQMSUKZIKQ-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCC1CCCCC1 ZINC001492840551 937241489 /nfs/dbraw/zinc/24/14/89/937241489.db2.gz RRZWJQMSUKZIKQ-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=CCCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001449217440 937378818 /nfs/dbraw/zinc/37/88/18/937378818.db2.gz VKCPGBBVZOJDEL-UHFFFAOYSA-N 1 2 271.364 3.429 20 30 CGEDLO C=C(Br)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001458144325 937452562 /nfs/dbraw/zinc/45/25/62/937452562.db2.gz ZDKDPNFSFYXKNC-UHFFFAOYSA-N 1 2 282.185 3.373 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001460032112 937512216 /nfs/dbraw/zinc/51/22/16/937512216.db2.gz WKVNTXSUTJBFPM-JTQLQIEISA-N 1 2 250.411 3.203 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001460032112 937512218 /nfs/dbraw/zinc/51/22/18/937512218.db2.gz WKVNTXSUTJBFPM-JTQLQIEISA-N 1 2 250.411 3.203 20 30 CGEDLO C#CCCCNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001162445818 931988538 /nfs/dbraw/zinc/98/85/38/931988538.db2.gz OWBFDFWFVSMSPD-UHFFFAOYSA-N 1 2 266.344 3.486 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC001461757675 937595432 /nfs/dbraw/zinc/59/54/32/937595432.db2.gz UNXLALXRAVWFQF-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO C#C[C@@H](CCCC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954318 932510007 /nfs/dbraw/zinc/51/00/07/932510007.db2.gz NIYYDGWDFFEORJ-HNNXBMFYSA-N 1 2 254.333 3.443 20 30 CGEDLO CCC1=C(Oc2ccc(-c3c[nH+]cn3C)cc2)C(=O)[C@H](C)O1 ZINC001231078296 932674380 /nfs/dbraw/zinc/67/43/80/932674380.db2.gz AOEQLBVJNYENIY-NSHDSACASA-N 1 2 298.342 3.075 20 30 CGEDLO C#C[C@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccncc1 ZINC001231084002 932676192 /nfs/dbraw/zinc/67/61/92/932676192.db2.gz SEICUMYKDPPGIS-SFHVURJKSA-N 1 2 289.338 3.235 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC001308506113 933121660 /nfs/dbraw/zinc/12/16/60/933121660.db2.gz RONGXMLPKRQGMB-JTQLQIEISA-N 1 2 275.352 3.341 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001308636253 933148025 /nfs/dbraw/zinc/14/80/25/933148025.db2.gz ZHZJGRVZVNOLMD-HNNXBMFYSA-N 1 2 271.389 3.422 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001308636253 933148027 /nfs/dbraw/zinc/14/80/27/933148027.db2.gz ZHZJGRVZVNOLMD-HNNXBMFYSA-N 1 2 271.389 3.422 20 30 CGEDLO C#CC[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001466163616 937706859 /nfs/dbraw/zinc/70/68/59/937706859.db2.gz UJPGKDKDWIFRGW-HNNXBMFYSA-N 1 2 289.338 3.057 20 30 CGEDLO C=CC1CC[NH+](Cn2nc(NC(C)C)sc2=S)CC1 ZINC001318495831 933735098 /nfs/dbraw/zinc/73/50/98/933735098.db2.gz PRVKVHOKGWSAJR-UHFFFAOYSA-N 1 2 298.481 3.350 20 30 CGEDLO C=C(C)c1cccc(NC(=O)NCc2cc[nH+]c(NC)c2)c1 ZINC001467477726 937718421 /nfs/dbraw/zinc/71/84/21/937718421.db2.gz JZLSPNPGOWRNCH-UHFFFAOYSA-N 1 2 296.374 3.478 20 30 CGEDLO C#CC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CC1 ZINC001320067336 933993098 /nfs/dbraw/zinc/99/30/98/933993098.db2.gz MQYRGQBXYZAOHR-UHFFFAOYSA-N 1 2 267.731 3.030 20 30 CGEDLO C#CC[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CC1 ZINC001320067336 933993109 /nfs/dbraw/zinc/99/31/09/933993109.db2.gz MQYRGQBXYZAOHR-UHFFFAOYSA-N 1 2 267.731 3.030 20 30 CGEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC001320303907 934028396 /nfs/dbraw/zinc/02/83/96/934028396.db2.gz TYGSNUQUGXUDMC-QWRGUYRKSA-N 1 2 254.399 3.118 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC1(C)CCCC1 ZINC001322144977 934252081 /nfs/dbraw/zinc/25/20/81/934252081.db2.gz AIASZCGEXIJXOK-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC1(C)CCCC1 ZINC001322144977 934252087 /nfs/dbraw/zinc/25/20/87/934252087.db2.gz AIASZCGEXIJXOK-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@](C)(CCC)C2)c1=S ZINC001322140774 934252368 /nfs/dbraw/zinc/25/23/68/934252368.db2.gz KQOTVYHBOMLLKN-HNNXBMFYSA-N 1 2 294.468 3.460 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@](C)(CCC)C2)c1=S ZINC001322140774 934252374 /nfs/dbraw/zinc/25/23/74/934252374.db2.gz KQOTVYHBOMLLKN-HNNXBMFYSA-N 1 2 294.468 3.460 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C2CCC2)CCC1 ZINC001322210072 934258693 /nfs/dbraw/zinc/25/86/93/934258693.db2.gz MTGCACYFBOIIRJ-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(C2CCC2)CCC1 ZINC001322210072 934258697 /nfs/dbraw/zinc/25/86/97/934258697.db2.gz MTGCACYFBOIIRJ-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1ccc[nH+]c1N(C)C ZINC001322818261 934337561 /nfs/dbraw/zinc/33/75/61/934337561.db2.gz CMXUBXTWPZMPKK-FPLPWBNLSA-N 1 2 281.359 3.001 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccccc1Cl)C(=O)OCC ZINC001326380792 934976311 /nfs/dbraw/zinc/97/63/11/934976311.db2.gz KZPIUVGKBDRADY-IUODEOHRSA-N 1 2 295.810 3.368 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001331669105 935402539 /nfs/dbraw/zinc/40/25/39/935402539.db2.gz BWAPIANJRAATDZ-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OCC ZINC001331728551 935405857 /nfs/dbraw/zinc/40/58/57/935405857.db2.gz OMTGXFPWFIIAMG-FQUUOJAGSA-N 1 2 293.432 3.338 20 30 CGEDLO COc1nc(C[N@H+](CCC#N)CCC(C)C)ccc1C ZINC001474339988 937852385 /nfs/dbraw/zinc/85/23/85/937852385.db2.gz SXNVDYUZSCKDKU-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO COc1nc(C[N@@H+](CCC#N)CCC(C)C)ccc1C ZINC001474339988 937852386 /nfs/dbraw/zinc/85/23/86/937852386.db2.gz SXNVDYUZSCKDKU-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001474528115 937864965 /nfs/dbraw/zinc/86/49/65/937864965.db2.gz HSWBFKGITDRXQN-WBVHZDCISA-N 1 2 289.419 3.414 20 30 CGEDLO Cc1cc(C[N@@H+]2Cc3ccc(O)cc3C2)ccc1C#N ZINC001474636388 937872110 /nfs/dbraw/zinc/87/21/10/937872110.db2.gz NSLOAQASAMPYNI-UHFFFAOYSA-N 1 2 264.328 3.088 20 30 CGEDLO Cc1cc(C[N@H+]2Cc3ccc(O)cc3C2)ccc1C#N ZINC001474636388 937872111 /nfs/dbraw/zinc/87/21/11/937872111.db2.gz NSLOAQASAMPYNI-UHFFFAOYSA-N 1 2 264.328 3.088 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001534975130 938098347 /nfs/dbraw/zinc/09/83/47/938098347.db2.gz OJZRBUJDBNCIOL-UHFFFAOYSA-N 1 2 271.364 3.057 20 30 CGEDLO CCNc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC001559304608 938225127 /nfs/dbraw/zinc/22/51/27/938225127.db2.gz BGSHVZSQBXCSBW-UHFFFAOYSA-N 1 2 297.318 3.345 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001560206468 938247103 /nfs/dbraw/zinc/24/71/03/938247103.db2.gz YXRSVBHYTQTAFG-ZDUSSCGKSA-N 1 2 279.767 3.399 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001560206468 938247104 /nfs/dbraw/zinc/24/71/04/938247104.db2.gz YXRSVBHYTQTAFG-ZDUSSCGKSA-N 1 2 279.767 3.399 20 30 CGEDLO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H](C)CC#N ZINC001560574982 938263530 /nfs/dbraw/zinc/26/35/30/938263530.db2.gz UTQXMJGNYTUBQW-NSHDSACASA-N 1 2 288.782 3.226 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)OC ZINC001560879590 938281338 /nfs/dbraw/zinc/28/13/38/938281338.db2.gz FQZUBTJDTCPPNR-ILXRZTDVSA-N 1 2 279.424 3.136 20 30 CGEDLO CSCc1ccc(NCCc2ccc(C#N)cc2)[nH+]c1 ZINC001156836716 958827337 /nfs/dbraw/zinc/82/73/37/958827337.db2.gz BALFBUMVVZHZJA-UHFFFAOYSA-N 1 2 283.400 3.471 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238191583 960411910 /nfs/dbraw/zinc/41/19/10/960411910.db2.gz NWFULKOYRMJHBZ-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001566925947 961061044 /nfs/dbraw/zinc/06/10/44/961061044.db2.gz SQFPRKIABCDRMT-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001566925947 961061063 /nfs/dbraw/zinc/06/10/63/961061063.db2.gz SQFPRKIABCDRMT-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@](C)(CC)CCC ZINC001567312233 961273677 /nfs/dbraw/zinc/27/36/77/961273677.db2.gz UZNOFVFZBNKIRQ-CQSZACIVSA-N 1 2 274.836 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@](C)(CC)CCC ZINC001567312233 961273695 /nfs/dbraw/zinc/27/36/95/961273695.db2.gz UZNOFVFZBNKIRQ-CQSZACIVSA-N 1 2 274.836 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726538 962065410 /nfs/dbraw/zinc/06/54/10/962065410.db2.gz UFUHVLLOMXMDEL-ZQDZILKHSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726538 962065433 /nfs/dbraw/zinc/06/54/33/962065433.db2.gz UFUHVLLOMXMDEL-ZQDZILKHSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[N@@H+](Cc1cc(OC)ncc1Br)C1CC1 ZINC000621272343 349486429 /nfs/dbraw/zinc/48/64/29/349486429.db2.gz NFEHAUKJWYRCDZ-UHFFFAOYSA-N 1 2 297.196 3.003 20 30 CGEDLO C=CC[N@H+](Cc1cc(OC)ncc1Br)C1CC1 ZINC000621272343 349486431 /nfs/dbraw/zinc/48/64/31/349486431.db2.gz NFEHAUKJWYRCDZ-UHFFFAOYSA-N 1 2 297.196 3.003 20 30 CGEDLO CCn1cc[nH+]c1CNc1nc(C(C)(C)C)ccc1C#N ZINC000590712753 346867381 /nfs/dbraw/zinc/86/73/81/346867381.db2.gz LTBMZNPRKVTNNY-UHFFFAOYSA-N 1 2 283.379 3.079 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1csnn1 ZINC000591053955 346897603 /nfs/dbraw/zinc/89/76/03/346897603.db2.gz CDFNJDHMJQULEO-NSHDSACASA-N 1 2 286.404 3.190 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1C#N ZINC000592060379 346958554 /nfs/dbraw/zinc/95/85/54/346958554.db2.gz LFXDWGHDJHNCPA-UHFFFAOYSA-N 1 2 290.370 3.237 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1C#N ZINC000592060379 346958557 /nfs/dbraw/zinc/95/85/57/346958557.db2.gz LFXDWGHDJHNCPA-UHFFFAOYSA-N 1 2 290.370 3.237 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000592107061 346963449 /nfs/dbraw/zinc/96/34/49/346963449.db2.gz FMBYIXKJSYNIDV-UHFFFAOYSA-N 1 2 275.355 3.001 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000592107061 346963453 /nfs/dbraw/zinc/96/34/53/346963453.db2.gz FMBYIXKJSYNIDV-UHFFFAOYSA-N 1 2 275.355 3.001 20 30 CGEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147666 346966921 /nfs/dbraw/zinc/96/69/21/346966921.db2.gz REBKSBWUNTUROS-YGRLFVJLSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147666 346966922 /nfs/dbraw/zinc/96/69/22/346966922.db2.gz REBKSBWUNTUROS-YGRLFVJLSA-N 1 2 299.201 3.405 20 30 CGEDLO CN(C)c1ccccc1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119614 347041939 /nfs/dbraw/zinc/04/19/39/347041939.db2.gz CODGVCIGTCAJJB-UHFFFAOYSA-N 1 2 277.371 3.140 20 30 CGEDLO CN(C)c1ccccc1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119614 347041942 /nfs/dbraw/zinc/04/19/42/347041942.db2.gz CODGVCIGTCAJJB-UHFFFAOYSA-N 1 2 277.371 3.140 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000076118871 345534679 /nfs/dbraw/zinc/53/46/79/345534679.db2.gz HJGGILDSPJXTPU-GOSISDBHSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000076118871 345534681 /nfs/dbraw/zinc/53/46/81/345534681.db2.gz HJGGILDSPJXTPU-GOSISDBHSA-N 1 2 278.355 3.132 20 30 CGEDLO C=CCOc1ccccc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080981722 345694208 /nfs/dbraw/zinc/69/42/08/345694208.db2.gz ATEKALFCSAOWFX-UHFFFAOYSA-N 1 2 294.358 3.443 20 30 CGEDLO CCOc1ccc(C[N@H+](CCC#N)CC(C)(C)C)nc1 ZINC000088512246 345762583 /nfs/dbraw/zinc/76/25/83/345762583.db2.gz QQYDSDVWIFVQHT-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCOc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)nc1 ZINC000088512246 345762585 /nfs/dbraw/zinc/76/25/85/345762585.db2.gz QQYDSDVWIFVQHT-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000093872343 345891672 /nfs/dbraw/zinc/89/16/72/345891672.db2.gz ALVHNTZZJIXTOK-MSOLQXFVSA-N 1 2 296.370 3.044 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000093872343 345891674 /nfs/dbraw/zinc/89/16/74/345891674.db2.gz ALVHNTZZJIXTOK-MSOLQXFVSA-N 1 2 296.370 3.044 20 30 CGEDLO Cc1ccc(C[NH2+]C[C@@H](C)C#N)c(Br)c1 ZINC000129623166 346051030 /nfs/dbraw/zinc/05/10/30/346051030.db2.gz IONFTUQMYNJPJC-JTQLQIEISA-N 1 2 267.170 3.007 20 30 CGEDLO C=CC[C@@H]1CC[C@H](Nc2cc(CSCCO)cc[nH+]2)C1 ZINC000593611249 347094569 /nfs/dbraw/zinc/09/45/69/347094569.db2.gz MGLONYPGFWFDCE-HIFRSBDPSA-N 1 2 292.448 3.464 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000593661971 347101950 /nfs/dbraw/zinc/10/19/50/347101950.db2.gz VSHKWIIVWFGDMY-NEPJUHHUSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)s1 ZINC000593661971 347101955 /nfs/dbraw/zinc/10/19/55/347101955.db2.gz VSHKWIIVWFGDMY-NEPJUHHUSA-N 1 2 264.394 3.009 20 30 CGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC1(F)F)CC2 ZINC000589344205 346794204 /nfs/dbraw/zinc/79/42/04/346794204.db2.gz LQFJZRKRPLQMAK-KGLIPLIRSA-N 1 2 262.303 3.323 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000594956766 347240120 /nfs/dbraw/zinc/24/01/20/347240120.db2.gz MUPDFKHYOMTFKT-QGZVFWFLSA-N 1 2 295.390 3.138 20 30 CGEDLO N#CC1(C[NH2+]Cc2ncc(Cl)s2)CCCCC1 ZINC000594981168 347247951 /nfs/dbraw/zinc/24/79/51/347247951.db2.gz IRYWSJKXKJTUFS-UHFFFAOYSA-N 1 2 269.801 3.360 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnc(CC)[nH]1 ZINC000595289073 347287364 /nfs/dbraw/zinc/28/73/64/347287364.db2.gz DHCBMGHFTMLHGE-CYBMUJFWSA-N 1 2 297.406 3.212 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nnc(CC)[nH]1 ZINC000595289073 347287367 /nfs/dbraw/zinc/28/73/67/347287367.db2.gz DHCBMGHFTMLHGE-CYBMUJFWSA-N 1 2 297.406 3.212 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@@H+]2CCc2ccc(C#N)cc2)no1 ZINC000595293577 347287778 /nfs/dbraw/zinc/28/77/78/347287778.db2.gz ORTJOUNXOLNKFI-MRXNPFEDSA-N 1 2 296.374 3.019 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)no1 ZINC000595293577 347287781 /nfs/dbraw/zinc/28/77/81/347287781.db2.gz ORTJOUNXOLNKFI-MRXNPFEDSA-N 1 2 296.374 3.019 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc2n(n1)CCCC2 ZINC000595090201 347280211 /nfs/dbraw/zinc/28/02/11/347280211.db2.gz FQMDQGVOAFYVCV-AWEZNQCLSA-N 1 2 286.423 3.344 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000595611304 347326220 /nfs/dbraw/zinc/32/62/20/347326220.db2.gz IZYGSWLFQREWMK-ZDUSSCGKSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000595611304 347326221 /nfs/dbraw/zinc/32/62/21/347326221.db2.gz IZYGSWLFQREWMK-ZDUSSCGKSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611867 347326597 /nfs/dbraw/zinc/32/65/97/347326597.db2.gz ODAINCGERIBFAB-NEPJUHHUSA-N 1 2 276.384 3.054 20 30 CGEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611867 347326600 /nfs/dbraw/zinc/32/66/00/347326600.db2.gz ODAINCGERIBFAB-NEPJUHHUSA-N 1 2 276.384 3.054 20 30 CGEDLO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H](C)C#N ZINC000595813509 347358889 /nfs/dbraw/zinc/35/88/89/347358889.db2.gz UTJNSYXZGRHFJI-JTQLQIEISA-N 1 2 297.761 3.042 20 30 CGEDLO CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@@H](C)C#N ZINC000595813509 347358890 /nfs/dbraw/zinc/35/88/90/347358890.db2.gz UTJNSYXZGRHFJI-JTQLQIEISA-N 1 2 297.761 3.042 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)ccn1 ZINC000595699746 347341299 /nfs/dbraw/zinc/34/12/99/347341299.db2.gz ACRKBZSILAYTET-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)ccn1 ZINC000595699746 347341301 /nfs/dbraw/zinc/34/13/01/347341301.db2.gz ACRKBZSILAYTET-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO COc1ccc([C@@H](C)C[N@H+]([C@H](C)C#N)C2CC2)cc1 ZINC000595710106 347344523 /nfs/dbraw/zinc/34/45/23/347344523.db2.gz LIWZIAMHURHCHZ-QWHCGFSZSA-N 1 2 258.365 3.175 20 30 CGEDLO COc1ccc([C@@H](C)C[N@@H+]([C@H](C)C#N)C2CC2)cc1 ZINC000595710106 347344525 /nfs/dbraw/zinc/34/45/25/347344525.db2.gz LIWZIAMHURHCHZ-QWHCGFSZSA-N 1 2 258.365 3.175 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000595815846 347359409 /nfs/dbraw/zinc/35/94/09/347359409.db2.gz UJMWPVQWXBQXPS-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000595815846 347359414 /nfs/dbraw/zinc/35/94/14/347359414.db2.gz UJMWPVQWXBQXPS-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000595784815 347356033 /nfs/dbraw/zinc/35/60/33/347356033.db2.gz HHRIGKWLXZICSA-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000595784815 347356036 /nfs/dbraw/zinc/35/60/36/347356036.db2.gz HHRIGKWLXZICSA-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840016 347365600 /nfs/dbraw/zinc/36/56/00/347365600.db2.gz NQEALWOQKDARQD-INIZCTEOSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840016 347365602 /nfs/dbraw/zinc/36/56/02/347365602.db2.gz NQEALWOQKDARQD-INIZCTEOSA-N 1 2 258.365 3.209 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595918118 347372890 /nfs/dbraw/zinc/37/28/90/347372890.db2.gz OSMLEMPDXDRMEU-BFQNTYOBSA-N 1 2 294.345 3.364 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595918118 347372891 /nfs/dbraw/zinc/37/28/91/347372891.db2.gz OSMLEMPDXDRMEU-BFQNTYOBSA-N 1 2 294.345 3.364 20 30 CGEDLO C=CCCSCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000596913355 347519644 /nfs/dbraw/zinc/51/96/44/347519644.db2.gz VWGBNJSJBCRMFU-UHFFFAOYSA-N 1 2 293.436 3.438 20 30 CGEDLO N#CC1(c2ccc(C[NH2+]CC(F)(F)C(F)F)cc2)CC1 ZINC000597114156 347536500 /nfs/dbraw/zinc/53/65/00/347536500.db2.gz USVQRGHWPUXKRV-UHFFFAOYSA-N 1 2 286.272 3.232 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000597231467 347558626 /nfs/dbraw/zinc/55/86/26/347558626.db2.gz XSFCWYZRWBLGCT-KRWDZBQOSA-N 1 2 270.376 3.211 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000597231467 347558630 /nfs/dbraw/zinc/55/86/30/347558630.db2.gz XSFCWYZRWBLGCT-KRWDZBQOSA-N 1 2 270.376 3.211 20 30 CGEDLO CCCCOc1ccc(C[NH+]2CC(CC#N)C2)cc1OC ZINC000597192328 347547695 /nfs/dbraw/zinc/54/76/95/347547695.db2.gz LNSNMSHNQDRYLI-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO N#Cc1cc(C[NH2+][C@H](C(F)F)C2CCCCC2)ccn1 ZINC000598650421 347675747 /nfs/dbraw/zinc/67/57/47/347675747.db2.gz QOQVGNKQQFAEDG-AWEZNQCLSA-N 1 2 279.334 3.257 20 30 CGEDLO C[N@H+](Cc1ccnn1CCc1ccccc1)CC(C)(C)C#N ZINC000598676352 347677741 /nfs/dbraw/zinc/67/77/41/347677741.db2.gz OPXHKQGFTHBOMN-UHFFFAOYSA-N 1 2 296.418 3.107 20 30 CGEDLO C[N@@H+](Cc1ccnn1CCc1ccccc1)CC(C)(C)C#N ZINC000598676352 347677744 /nfs/dbraw/zinc/67/77/44/347677744.db2.gz OPXHKQGFTHBOMN-UHFFFAOYSA-N 1 2 296.418 3.107 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccncc1Cl)C2 ZINC000599678161 347764879 /nfs/dbraw/zinc/76/48/79/347764879.db2.gz GIIOZQAZLHJWIE-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccncc1Cl)C2 ZINC000599678161 347764881 /nfs/dbraw/zinc/76/48/81/347764881.db2.gz GIIOZQAZLHJWIE-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO C[C@]1(C[N@H+](CCC#N)Cc2ccccn2)CCCS1 ZINC000600117235 347782263 /nfs/dbraw/zinc/78/22/63/347782263.db2.gz IQYJORQRNOGEGX-OAHLLOKOSA-N 1 2 275.421 3.083 20 30 CGEDLO C[C@]1(C[N@@H+](CCC#N)Cc2ccccn2)CCCS1 ZINC000600117235 347782266 /nfs/dbraw/zinc/78/22/66/347782266.db2.gz IQYJORQRNOGEGX-OAHLLOKOSA-N 1 2 275.421 3.083 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000600146443 347784532 /nfs/dbraw/zinc/78/45/32/347784532.db2.gz WKTZKIHKBAFHDL-SECBINFHSA-N 1 2 290.260 3.016 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000600154177 347785187 /nfs/dbraw/zinc/78/51/87/347785187.db2.gz YMUIRINCVFELSL-UHFFFAOYSA-N 1 2 256.683 3.012 20 30 CGEDLO N#CC[C@H]1CCCN(c2cc3ccccc3c[nH+]2)C1 ZINC000601191836 347878929 /nfs/dbraw/zinc/87/89/29/347878929.db2.gz QTRPFMHXFLFZEP-CYBMUJFWSA-N 1 2 251.333 3.365 20 30 CGEDLO CC[N@@H+](Cc1cc2ccccc2n1C)C[C@H](C)C#N ZINC000602446690 347958822 /nfs/dbraw/zinc/95/88/22/347958822.db2.gz HTNQITZESLMPPP-CYBMUJFWSA-N 1 2 255.365 3.160 20 30 CGEDLO CC[N@H+](Cc1cc2ccccc2n1C)C[C@H](C)C#N ZINC000602446690 347958825 /nfs/dbraw/zinc/95/88/25/347958825.db2.gz HTNQITZESLMPPP-CYBMUJFWSA-N 1 2 255.365 3.160 20 30 CGEDLO COCC[N@H+](CCC#N)[C@@H](C)c1cc(C)c(OC)cc1C ZINC000602464571 347962140 /nfs/dbraw/zinc/96/21/40/347962140.db2.gz FKVUKYROHCQZLE-HNNXBMFYSA-N 1 2 290.407 3.235 20 30 CGEDLO COCC[N@@H+](CCC#N)[C@@H](C)c1cc(C)c(OC)cc1C ZINC000602464571 347962142 /nfs/dbraw/zinc/96/21/42/347962142.db2.gz FKVUKYROHCQZLE-HNNXBMFYSA-N 1 2 290.407 3.235 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(F)c1N ZINC000602466022 347962711 /nfs/dbraw/zinc/96/27/11/347962711.db2.gz UETYUEHMVLJVSH-UHFFFAOYSA-N 1 2 263.360 3.170 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(F)c1N ZINC000602466022 347962715 /nfs/dbraw/zinc/96/27/15/347962715.db2.gz UETYUEHMVLJVSH-UHFFFAOYSA-N 1 2 263.360 3.170 20 30 CGEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)c1cc(C)cc(C)c1 ZINC000602624588 347995970 /nfs/dbraw/zinc/99/59/70/347995970.db2.gz LBBYAZGWLWZIKC-WBMJQRKESA-N 1 2 288.391 3.047 20 30 CGEDLO N#CC1(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC000602698336 348011933 /nfs/dbraw/zinc/01/19/33/348011933.db2.gz HHCYGDLSZDCMKH-AWEZNQCLSA-N 1 2 287.411 3.100 20 30 CGEDLO COc1cc(F)cc(OC)c1C[NH2+]CC1(C#N)CCCC1 ZINC000602699165 348012017 /nfs/dbraw/zinc/01/20/17/348012017.db2.gz JYQKJAZDIHCOMS-UHFFFAOYSA-N 1 2 292.354 3.016 20 30 CGEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c(Cl)c1 ZINC000602860637 348037678 /nfs/dbraw/zinc/03/76/78/348037678.db2.gz DYFXECRGNXBDTB-NWDGAFQWSA-N 1 2 293.798 3.176 20 30 CGEDLO C[N@H+](Cc1ccccc1OC1CC1)[C@H]1CCC[C@H]1C#N ZINC000602982311 348052490 /nfs/dbraw/zinc/05/24/90/348052490.db2.gz QNNJMTPBDPQHHI-BBRMVZONSA-N 1 2 270.376 3.352 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC1CC1)[C@H]1CCC[C@H]1C#N ZINC000602982311 348052492 /nfs/dbraw/zinc/05/24/92/348052492.db2.gz QNNJMTPBDPQHHI-BBRMVZONSA-N 1 2 270.376 3.352 20 30 CGEDLO CCc1noc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000604315996 348115144 /nfs/dbraw/zinc/11/51/44/348115144.db2.gz URNXOTYTRYFOII-GFCCVEGCSA-N 1 2 284.363 3.087 20 30 CGEDLO CCc1noc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000604315996 348115148 /nfs/dbraw/zinc/11/51/48/348115148.db2.gz URNXOTYTRYFOII-GFCCVEGCSA-N 1 2 284.363 3.087 20 30 CGEDLO N#Cc1cc(Cl)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276370 348370426 /nfs/dbraw/zinc/37/04/26/348370426.db2.gz QYJYDGYXUHQJSR-AWEZNQCLSA-N 1 2 286.766 3.250 20 30 CGEDLO N#Cc1ccc(Cl)cc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276406 348370923 /nfs/dbraw/zinc/37/09/23/348370923.db2.gz UEISLZZFJBGEEL-AWEZNQCLSA-N 1 2 286.766 3.250 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000610343406 348376814 /nfs/dbraw/zinc/37/68/14/348376814.db2.gz FZABNVGTHDRHOO-WDEREUQCSA-N 1 2 282.347 3.230 20 30 CGEDLO CC[N@H+](Cc1ccnc(C#N)c1)Cc1c(F)cccc1F ZINC000610992361 348415044 /nfs/dbraw/zinc/41/50/44/348415044.db2.gz XOFKIYPJZKDETH-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1c(F)cccc1F ZINC000610992361 348415046 /nfs/dbraw/zinc/41/50/46/348415046.db2.gz XOFKIYPJZKDETH-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cscn1 ZINC000611336524 348438938 /nfs/dbraw/zinc/43/89/38/348438938.db2.gz URPZHHSMSMWHNQ-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO C[C@]1(C#N)CCCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000612406786 348517637 /nfs/dbraw/zinc/51/76/37/348517637.db2.gz TXFWSCPPZODBBP-OAHLLOKOSA-N 1 2 288.782 3.113 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccc(C)cc2)n1 ZINC000613043455 348561972 /nfs/dbraw/zinc/56/19/72/348561972.db2.gz SVRMHCRPHPVXBS-CQSZACIVSA-N 1 2 269.348 3.432 20 30 CGEDLO N#Cc1cccc(CNc2[nH+]c3ccccc3n2C2CC2)c1 ZINC000613104225 348564900 /nfs/dbraw/zinc/56/49/00/348564900.db2.gz GAMGDWGZHQVMCG-UHFFFAOYSA-N 1 2 288.354 3.277 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000614402329 348673926 /nfs/dbraw/zinc/67/39/26/348673926.db2.gz UEKPWDXMQQMBQX-RISCZKNCSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000614402329 348673929 /nfs/dbraw/zinc/67/39/29/348673929.db2.gz UEKPWDXMQQMBQX-RISCZKNCSA-N 1 2 298.308 3.018 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000617777560 349008034 /nfs/dbraw/zinc/00/80/34/349008034.db2.gz RICLIUQAEAPBLI-AWEZNQCLSA-N 1 2 283.375 3.071 20 30 CGEDLO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000618283274 349066493 /nfs/dbraw/zinc/06/64/93/349066493.db2.gz DHQFUPMLDGATIP-NWDGAFQWSA-N 1 2 292.345 3.358 20 30 CGEDLO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000618283274 349066495 /nfs/dbraw/zinc/06/64/95/349066495.db2.gz DHQFUPMLDGATIP-NWDGAFQWSA-N 1 2 292.345 3.358 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000618819957 349158315 /nfs/dbraw/zinc/15/83/15/349158315.db2.gz VMTBXBWDKBHPCX-MRXNPFEDSA-N 1 2 276.355 3.350 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000618819957 349158317 /nfs/dbraw/zinc/15/83/17/349158317.db2.gz VMTBXBWDKBHPCX-MRXNPFEDSA-N 1 2 276.355 3.350 20 30 CGEDLO CC(C)(C)c1cnc(C[NH2+]CC(C)(C)C#N)s1 ZINC000619219660 349224042 /nfs/dbraw/zinc/22/40/42/349224042.db2.gz GBXYRTFDWHZMGF-UHFFFAOYSA-N 1 2 251.399 3.080 20 30 CGEDLO N#Cc1cccc(Cl)c1NCc1cn2ccccc2[nH+]1 ZINC000359097034 233260282 /nfs/dbraw/zinc/26/02/82/233260282.db2.gz LSYVEJXLQYAYCL-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Cn2c(CC)[nH+]c3ccccc32)C1 ZINC000628484055 350553067 /nfs/dbraw/zinc/55/30/67/350553067.db2.gz CVRQHHGLAWALEB-AWEZNQCLSA-N 1 2 297.402 3.023 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000636172215 351728103 /nfs/dbraw/zinc/72/81/03/351728103.db2.gz WBMHUIMSYLOTTF-CVEARBPZSA-N 1 2 289.423 3.285 20 30 CGEDLO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1nccs1 ZINC000122113695 187015708 /nfs/dbraw/zinc/01/57/08/187015708.db2.gz OHENIUIPGGIAKC-UHFFFAOYSA-N 1 2 274.364 3.159 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000336491964 213365251 /nfs/dbraw/zinc/36/52/51/213365251.db2.gz CIRLTLAWWJGYNO-IAQYHMDHSA-N 1 2 269.373 3.208 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000336491964 213365248 /nfs/dbraw/zinc/36/52/48/213365248.db2.gz CIRLTLAWWJGYNO-IAQYHMDHSA-N 1 2 269.373 3.208 20 30 CGEDLO CC(C)c1nnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]1 ZINC000292243864 198215252 /nfs/dbraw/zinc/21/52/52/198215252.db2.gz TVCAIJTTZFYBIO-UHFFFAOYSA-N 1 2 297.406 3.210 20 30 CGEDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]1 ZINC000292243864 198215254 /nfs/dbraw/zinc/21/52/54/198215254.db2.gz TVCAIJTTZFYBIO-UHFFFAOYSA-N 1 2 297.406 3.210 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000368274767 234295431 /nfs/dbraw/zinc/29/54/31/234295431.db2.gz XLUBSGWZZDOIMK-AWEZNQCLSA-N 1 2 286.281 3.060 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413193828 235259069 /nfs/dbraw/zinc/25/90/69/235259069.db2.gz AIPUNWBGHCMZES-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000336313859 213157270 /nfs/dbraw/zinc/15/72/70/213157270.db2.gz GGSNEAAIKJDJEM-UHFFFAOYSA-N 1 2 293.345 3.382 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000336313859 213157271 /nfs/dbraw/zinc/15/72/71/213157271.db2.gz GGSNEAAIKJDJEM-UHFFFAOYSA-N 1 2 293.345 3.382 20 30 CGEDLO N#Cc1cnc(Nc2cccc([NH+]3CCCCCC3)c2)cn1 ZINC000125341688 138381182 /nfs/dbraw/zinc/38/11/82/138381182.db2.gz XZDZLTGPWIYGMR-UHFFFAOYSA-N 1 2 293.374 3.472 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000425364756 236237638 /nfs/dbraw/zinc/23/76/38/236237638.db2.gz HQERRWSMBTXUKY-LLVKDONJSA-N 1 2 282.372 3.079 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000425364756 236237640 /nfs/dbraw/zinc/23/76/40/236237640.db2.gz HQERRWSMBTXUKY-LLVKDONJSA-N 1 2 282.372 3.079 20 30 CGEDLO N#Cc1cccc(C#N)c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000436405597 237096838 /nfs/dbraw/zinc/09/68/38/237096838.db2.gz CDTLLPULCQHCJZ-UHFFFAOYSA-N 1 2 299.337 3.432 20 30 CGEDLO C[N@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341583082 216021234 /nfs/dbraw/zinc/02/12/34/216021234.db2.gz JZACAPWIDLUZME-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341583082 216021236 /nfs/dbraw/zinc/02/12/36/216021236.db2.gz JZACAPWIDLUZME-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO CCN(CC)c1ccc(CNc2cc(C)nc(C#N)c2)c[nH+]1 ZINC000341724040 216078616 /nfs/dbraw/zinc/07/86/16/216078616.db2.gz UZODCJPPWFAPIM-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341800334 216110550 /nfs/dbraw/zinc/11/05/50/216110550.db2.gz RJFXCLIGNGCZAE-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341800334 216110553 /nfs/dbraw/zinc/11/05/53/216110553.db2.gz RJFXCLIGNGCZAE-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C=CC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000119349164 370669022 /nfs/dbraw/zinc/66/90/22/370669022.db2.gz WCOZVBAKGQUYQZ-UHFFFAOYSA-N 1 2 275.352 3.084 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccco1 ZINC000439447459 238256770 /nfs/dbraw/zinc/25/67/70/238256770.db2.gz YOALTYOAKMODDE-AWEZNQCLSA-N 1 2 290.750 3.282 20 30 CGEDLO Cc1ccc(C[N@@H+](CCO)Cc2cc(F)ccc2C#N)cc1 ZINC000181961293 189310930 /nfs/dbraw/zinc/31/09/30/189310930.db2.gz RPMDVQPAOLHVLI-UHFFFAOYSA-N 1 2 298.361 3.000 20 30 CGEDLO Cc1ccc(C[N@H+](CCO)Cc2cc(F)ccc2C#N)cc1 ZINC000181961293 189310929 /nfs/dbraw/zinc/31/09/29/189310929.db2.gz RPMDVQPAOLHVLI-UHFFFAOYSA-N 1 2 298.361 3.000 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNc1snc(Cl)c1C#N ZINC000301755851 201177992 /nfs/dbraw/zinc/17/79/92/201177992.db2.gz KTRWGDZKUFQLSG-UHFFFAOYSA-N 1 2 295.799 3.133 20 30 CGEDLO C=CCCCN(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000119926848 370723262 /nfs/dbraw/zinc/72/32/62/370723262.db2.gz GIUBTOVZSOIFLK-UHFFFAOYSA-N 1 2 268.364 3.249 20 30 CGEDLO C#CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275681114 193104027 /nfs/dbraw/zinc/10/40/27/193104027.db2.gz ZZYXSLWWRYCUPE-WFASDCNBSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000275681114 193104029 /nfs/dbraw/zinc/10/40/29/193104029.db2.gz ZZYXSLWWRYCUPE-WFASDCNBSA-N 1 2 263.768 3.125 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000121247035 370844287 /nfs/dbraw/zinc/84/42/87/370844287.db2.gz MQFSQTPSINPSOB-UHFFFAOYSA-N 1 2 250.392 3.489 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000121247035 370844295 /nfs/dbraw/zinc/84/42/95/370844295.db2.gz MQFSQTPSINPSOB-UHFFFAOYSA-N 1 2 250.392 3.489 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000353245239 219983822 /nfs/dbraw/zinc/98/38/22/219983822.db2.gz WWARFNRGTZQLRV-CQSZACIVSA-N 1 2 298.415 3.310 20 30 CGEDLO CCC1(c2ccccc2)C[NH+](Cc2nc(C#N)cs2)C1 ZINC000459741623 242205170 /nfs/dbraw/zinc/20/51/70/242205170.db2.gz DHDMKPIXPKBZEJ-UHFFFAOYSA-N 1 2 283.400 3.178 20 30 CGEDLO C#CC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000122998679 370908638 /nfs/dbraw/zinc/90/86/38/370908638.db2.gz OTSSOWORELUTPL-MRXNPFEDSA-N 1 2 289.338 3.049 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)Cc2cc(C)on2)c1 ZINC000122905863 370908664 /nfs/dbraw/zinc/90/86/64/370908664.db2.gz STPCVRCVLLLDRJ-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)Cc2cc(C)on2)c1 ZINC000122905863 370908665 /nfs/dbraw/zinc/90/86/65/370908665.db2.gz STPCVRCVLLLDRJ-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCSc1ccc(F)cc1 ZINC000123737672 370914267 /nfs/dbraw/zinc/91/42/67/370914267.db2.gz CFZAICWXZHBRJH-LLVKDONJSA-N 1 2 252.358 3.152 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCSc1ccc(F)cc1 ZINC000123737672 370914275 /nfs/dbraw/zinc/91/42/75/370914275.db2.gz CFZAICWXZHBRJH-LLVKDONJSA-N 1 2 252.358 3.152 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[N@@H+]2CCCC[C@H]2C)s1 ZINC000025791080 368852439 /nfs/dbraw/zinc/85/24/39/368852439.db2.gz NRYXZKRWVSFRTE-SNVBAGLBSA-N 1 2 282.413 3.124 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[N@H+]2CCCC[C@H]2C)s1 ZINC000025791080 368852445 /nfs/dbraw/zinc/85/24/45/368852445.db2.gz NRYXZKRWVSFRTE-SNVBAGLBSA-N 1 2 282.413 3.124 20 30 CGEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cc[nH+]cc1C ZINC000127507451 370953011 /nfs/dbraw/zinc/95/30/11/370953011.db2.gz REJQEXKLZAGOLI-UHFFFAOYSA-N 1 2 298.342 3.216 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000127647576 370954435 /nfs/dbraw/zinc/95/44/35/370954435.db2.gz KYYGTKIHBXXREV-UHFFFAOYSA-N 1 2 288.782 3.466 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000127647576 370954439 /nfs/dbraw/zinc/95/44/39/370954439.db2.gz KYYGTKIHBXXREV-UHFFFAOYSA-N 1 2 288.782 3.466 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C(C)C)no1 ZINC000065959571 369686934 /nfs/dbraw/zinc/68/69/34/369686934.db2.gz LSUWDOBPCGFKLS-UHFFFAOYSA-N 1 2 285.391 3.424 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C(C)C)no1 ZINC000065959571 369686939 /nfs/dbraw/zinc/68/69/39/369686939.db2.gz LSUWDOBPCGFKLS-UHFFFAOYSA-N 1 2 285.391 3.424 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000103490789 370330935 /nfs/dbraw/zinc/33/09/35/370330935.db2.gz OHOHYXQOWDPOPQ-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000103490789 370330936 /nfs/dbraw/zinc/33/09/36/370330936.db2.gz OHOHYXQOWDPOPQ-AWEZNQCLSA-N 1 2 251.757 3.289 20 30 CGEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000113357638 370473079 /nfs/dbraw/zinc/47/30/79/370473079.db2.gz GBBXCGKXQZFVLK-OAHLLOKOSA-N 1 2 296.374 3.306 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c(OC(F)F)c1 ZINC000344016829 217011320 /nfs/dbraw/zinc/01/13/20/217011320.db2.gz NKUHUHUTMMXVRF-CYBMUJFWSA-N 1 2 292.329 3.392 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c(OC(F)F)c1 ZINC000344016829 217011323 /nfs/dbraw/zinc/01/13/23/217011323.db2.gz NKUHUHUTMMXVRF-CYBMUJFWSA-N 1 2 292.329 3.392 20 30 CGEDLO COc1c(C)c[nH+]c(COc2cccc(F)c2C#N)c1C ZINC000133651645 371268759 /nfs/dbraw/zinc/26/87/59/371268759.db2.gz CSPGJUWDLMXXEV-UHFFFAOYSA-N 1 2 286.306 3.297 20 30 CGEDLO Cc1cccc([C@@H](O)C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC000135496338 371432510 /nfs/dbraw/zinc/43/25/10/371432510.db2.gz FIIFTQBNCWYCLC-IBGZPJMESA-N 1 2 294.398 3.444 20 30 CGEDLO Cc1cccc([C@@H](O)C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC000135496338 371432513 /nfs/dbraw/zinc/43/25/13/371432513.db2.gz FIIFTQBNCWYCLC-IBGZPJMESA-N 1 2 294.398 3.444 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cscc1Br ZINC000289675146 371789664 /nfs/dbraw/zinc/78/96/64/371789664.db2.gz MNRVFGLRRJKKMP-SECBINFHSA-N 1 2 273.199 3.292 20 30 CGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1C(F)(F)F ZINC000290520740 372006999 /nfs/dbraw/zinc/00/69/99/372006999.db2.gz MUELTFXAHWPWQF-JTQLQIEISA-N 1 2 294.280 3.274 20 30 CGEDLO COc1cccc2c(N[C@@H]3CC[C@H](C#N)C3)cc[nH+]c12 ZINC000425275680 372119857 /nfs/dbraw/zinc/11/98/57/372119857.db2.gz UEXNABXIZNQBCT-NWDGAFQWSA-N 1 2 267.332 3.348 20 30 CGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367569 372153083 /nfs/dbraw/zinc/15/30/83/372153083.db2.gz XRDXAYKPBMEFNH-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367569 372153088 /nfs/dbraw/zinc/15/30/88/372153088.db2.gz XRDXAYKPBMEFNH-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO CC(C)(C)OC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428389235 372187047 /nfs/dbraw/zinc/18/70/47/372187047.db2.gz PQKIUDCQZCPCPX-UHFFFAOYSA-N 1 2 290.382 3.477 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000428869010 372275652 /nfs/dbraw/zinc/27/56/52/372275652.db2.gz BMHASUFMLYKRAL-UHFFFAOYSA-N 1 2 298.308 3.486 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000428869010 372275654 /nfs/dbraw/zinc/27/56/54/372275654.db2.gz BMHASUFMLYKRAL-UHFFFAOYSA-N 1 2 298.308 3.486 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000428881749 372279609 /nfs/dbraw/zinc/27/96/09/372279609.db2.gz PQLAVCHWQPXYQO-UHFFFAOYSA-N 1 2 298.308 3.486 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000428881749 372279612 /nfs/dbraw/zinc/27/96/12/372279612.db2.gz PQLAVCHWQPXYQO-UHFFFAOYSA-N 1 2 298.308 3.486 20 30 CGEDLO C=CCCCCCCNC(=O)NCc1c[nH+]ccc1OC ZINC000293287399 372346400 /nfs/dbraw/zinc/34/64/00/372346400.db2.gz HJIFJBSVVXIAAD-UHFFFAOYSA-N 1 2 291.395 3.026 20 30 CGEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162238145 372383598 /nfs/dbraw/zinc/38/35/98/372383598.db2.gz HTQGNJIJJDQPFO-UHFFFAOYSA-N 1 2 297.358 3.385 20 30 CGEDLO CC1(C[N@@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CCC1 ZINC000433207077 372584341 /nfs/dbraw/zinc/58/43/41/372584341.db2.gz JSCPMEPBIUESFM-ZBFHGGJFSA-N 1 2 262.397 3.104 20 30 CGEDLO CC1(C[N@H+]2CCC[C@@]3(CCCCO3)[C@H]2C#N)CCC1 ZINC000433207077 372584343 /nfs/dbraw/zinc/58/43/43/372584343.db2.gz JSCPMEPBIUESFM-ZBFHGGJFSA-N 1 2 262.397 3.104 20 30 CGEDLO C=CCOCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000294647662 372664266 /nfs/dbraw/zinc/66/42/66/372664266.db2.gz QJADOGPNPYYHRG-HNNXBMFYSA-N 1 2 299.773 3.055 20 30 CGEDLO C=CCOCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000294647662 372664273 /nfs/dbraw/zinc/66/42/73/372664273.db2.gz QJADOGPNPYYHRG-HNNXBMFYSA-N 1 2 299.773 3.055 20 30 CGEDLO Cc1cccn2cc(CNc3cc(C#N)ccc3C)[nH+]c12 ZINC000170844653 372669670 /nfs/dbraw/zinc/66/96/70/372669670.db2.gz AVWHSPHCLXUGLV-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000295260937 372721751 /nfs/dbraw/zinc/72/17/51/372721751.db2.gz BQWXDTAEUSJGIE-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000295260937 372721759 /nfs/dbraw/zinc/72/17/59/372721759.db2.gz BQWXDTAEUSJGIE-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OC ZINC000438299414 372922215 /nfs/dbraw/zinc/92/22/15/372922215.db2.gz LZYZRROSFJQRNR-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CCCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000438306535 372922752 /nfs/dbraw/zinc/92/27/52/372922752.db2.gz SHXMKJVPMPJXEK-HNNXBMFYSA-N 1 2 295.810 3.370 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438350172 372934158 /nfs/dbraw/zinc/93/41/58/372934158.db2.gz DZCKQIZQUGPIIQ-UHFFFAOYSA-N 1 2 286.400 3.266 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCc2ncsc2C1 ZINC000438350172 372934166 /nfs/dbraw/zinc/93/41/66/372934166.db2.gz DZCKQIZQUGPIIQ-UHFFFAOYSA-N 1 2 286.400 3.266 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)c(C)c2)n1 ZINC000353547295 220152044 /nfs/dbraw/zinc/15/20/44/220152044.db2.gz YAWWYWYWABPCGH-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)c(C)c2)n1 ZINC000353547295 220152046 /nfs/dbraw/zinc/15/20/46/220152046.db2.gz YAWWYWYWABPCGH-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nccn1CC)c1ccco1 ZINC000296548190 373172428 /nfs/dbraw/zinc/17/24/28/373172428.db2.gz RJUWZIKHRJLQQH-ZDUSSCGKSA-N 1 2 259.353 3.293 20 30 CGEDLO Cc1cc(C[N@H+](C)C[C@H](C#N)CCC#N)ccc1F ZINC000444732905 373253140 /nfs/dbraw/zinc/25/31/40/373253140.db2.gz KPGZMDQNSSLGEJ-AWEZNQCLSA-N 1 2 259.328 3.009 20 30 CGEDLO Cc1cc(C[N@@H+](C)C[C@H](C#N)CCC#N)ccc1F ZINC000444732905 373253146 /nfs/dbraw/zinc/25/31/46/373253146.db2.gz KPGZMDQNSSLGEJ-AWEZNQCLSA-N 1 2 259.328 3.009 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000447046312 373396329 /nfs/dbraw/zinc/39/63/29/373396329.db2.gz ZCWWDWPOJYYJNL-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000447046312 373396333 /nfs/dbraw/zinc/39/63/33/373396333.db2.gz ZCWWDWPOJYYJNL-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000574469758 335022507 /nfs/dbraw/zinc/02/25/07/335022507.db2.gz YUDZKLSIMPHCNU-UHFFFAOYSA-N 1 2 286.709 3.335 20 30 CGEDLO CC[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@H](C)C#N ZINC000179772566 373915294 /nfs/dbraw/zinc/91/52/94/373915294.db2.gz YHHMQHXNZFJNCL-LLVKDONJSA-N 1 2 288.420 3.255 20 30 CGEDLO CC[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@H](C)C#N ZINC000179772566 373915299 /nfs/dbraw/zinc/91/52/99/373915299.db2.gz YHHMQHXNZFJNCL-LLVKDONJSA-N 1 2 288.420 3.255 20 30 CGEDLO N#Cc1cc(F)ccc1NCCCNc1cccc[nH+]1 ZINC000180410824 373999201 /nfs/dbraw/zinc/99/92/01/373999201.db2.gz IWXVUCATWJLAQJ-UHFFFAOYSA-N 1 2 270.311 3.006 20 30 CGEDLO COc1c(C)c[nH+]c(COc2cc(F)cc(C#N)c2)c1C ZINC000313868532 374308898 /nfs/dbraw/zinc/30/88/98/374308898.db2.gz YIBFIZUTXADWIK-UHFFFAOYSA-N 1 2 286.306 3.297 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@H](O)C3CCCCC3)ccc2[nH+]1 ZINC000328621721 374370537 /nfs/dbraw/zinc/37/05/37/374370537.db2.gz XTZFCBXGUYAEBX-OAHLLOKOSA-N 1 2 287.363 3.172 20 30 CGEDLO CC(C)[C@@H](NC(=O)c1ccc2c(c1)N(C)CC2)c1[nH]cc[nH+]1 ZINC000328772433 374380366 /nfs/dbraw/zinc/38/03/66/374380366.db2.gz RLVCUMPQGIEMSD-OAHLLOKOSA-N 1 2 298.390 3.104 20 30 CGEDLO Cc1csc(C2([NH2+]CC(=O)NCC3CCC3)CCC2)n1 ZINC000329605210 374413664 /nfs/dbraw/zinc/41/36/64/374413664.db2.gz MAKWXANWLMJQGE-UHFFFAOYSA-N 1 2 293.436 3.177 20 30 CGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000187631619 375060786 /nfs/dbraw/zinc/06/07/86/375060786.db2.gz SUPXTOPGRUZECF-KRWDZBQOSA-N 1 2 299.374 3.244 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1)Cc1nc2ccccc2o1 ZINC000484075587 375186584 /nfs/dbraw/zinc/18/65/84/375186584.db2.gz KTLIBBDIJLONRK-UHFFFAOYSA-N 1 2 276.339 3.311 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1)Cc1nc2ccccc2o1 ZINC000484075587 375186592 /nfs/dbraw/zinc/18/65/92/375186592.db2.gz KTLIBBDIJLONRK-UHFFFAOYSA-N 1 2 276.339 3.311 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1OC ZINC000519421042 375837428 /nfs/dbraw/zinc/83/74/28/375837428.db2.gz ZDGDRQOGEDRONG-LBPRGKRZSA-N 1 2 252.745 3.130 20 30 CGEDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000194031679 375950332 /nfs/dbraw/zinc/95/03/32/375950332.db2.gz RFGMRTLPVCUFAR-UHFFFAOYSA-N 1 2 288.391 3.112 20 30 CGEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000194031679 375950341 /nfs/dbraw/zinc/95/03/41/375950341.db2.gz RFGMRTLPVCUFAR-UHFFFAOYSA-N 1 2 288.391 3.112 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245647 376030803 /nfs/dbraw/zinc/03/08/03/376030803.db2.gz GXDXRCNANWSVSZ-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245647 376030809 /nfs/dbraw/zinc/03/08/09/376030809.db2.gz GXDXRCNANWSVSZ-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc(C#N)cc1 ZINC000338355311 376347243 /nfs/dbraw/zinc/34/72/43/376347243.db2.gz INCFVWQTDSXQQK-LBPRGKRZSA-N 1 2 296.374 3.450 20 30 CGEDLO C[C@H](Cc1ccsc1)[N@H+](CCC#N)Cc1ccccn1 ZINC000542154187 376511386 /nfs/dbraw/zinc/51/13/86/376511386.db2.gz RMPZZSBBFUCWLM-CQSZACIVSA-N 1 2 285.416 3.490 20 30 CGEDLO C[C@H](Cc1ccsc1)[N@@H+](CCC#N)Cc1ccccn1 ZINC000542154187 376511397 /nfs/dbraw/zinc/51/13/97/376511397.db2.gz RMPZZSBBFUCWLM-CQSZACIVSA-N 1 2 285.416 3.490 20 30 CGEDLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC#N)CC1 ZINC000561607423 377234329 /nfs/dbraw/zinc/23/43/29/377234329.db2.gz NKWXEVVVGFKPQJ-LLVKDONJSA-N 1 2 276.384 3.054 20 30 CGEDLO C=CCOCCSCCc1[nH+]cc(C)cc1C ZINC000563147015 377407167 /nfs/dbraw/zinc/40/71/67/377407167.db2.gz LQRBGPHBRLUVGY-UHFFFAOYSA-N 1 2 251.395 3.177 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3ccsc3C2)c1F ZINC000341141285 377415255 /nfs/dbraw/zinc/41/52/55/377415255.db2.gz WAWDNFJQGDJBSO-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3ccsc3C2)c1F ZINC000341141285 377415265 /nfs/dbraw/zinc/41/52/65/377415265.db2.gz WAWDNFJQGDJBSO-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO COc1cncc(/C=C\CC[N@H+](CC#N)C2CCCC2)c1 ZINC000568260419 377518282 /nfs/dbraw/zinc/51/82/82/377518282.db2.gz XHSYVECWCXENAB-XQRVVYSFSA-N 1 2 285.391 3.262 20 30 CGEDLO COc1cncc(/C=C\CC[N@@H+](CC#N)C2CCCC2)c1 ZINC000568260419 377518290 /nfs/dbraw/zinc/51/82/90/377518290.db2.gz XHSYVECWCXENAB-XQRVVYSFSA-N 1 2 285.391 3.262 20 30 CGEDLO COc1ccc([C@@H]([NH2+]CCC#N)c2ccccc2OC)cc1 ZINC000568621173 377521282 /nfs/dbraw/zinc/52/12/82/377521282.db2.gz UCUCZQYFYWJPNC-GOSISDBHSA-N 1 2 296.370 3.296 20 30 CGEDLO COC1(c2ccccc2)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000421357838 249126251 /nfs/dbraw/zinc/12/62/51/249126251.db2.gz RCCCFJJJBCOMBQ-UHFFFAOYSA-N 1 2 296.345 3.055 20 30 CGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)s1)CC2 ZINC000516854517 249246339 /nfs/dbraw/zinc/24/63/39/249246339.db2.gz TUWAMTQSEWIFAY-CQSZACIVSA-N 1 2 296.399 3.064 20 30 CGEDLO C=CCCCCCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000265729120 190202369 /nfs/dbraw/zinc/20/23/69/190202369.db2.gz QVXXMBXJYPUIBU-UHFFFAOYSA-N 1 2 285.391 3.082 20 30 CGEDLO Cc1cccn2cc(CSc3ccc(C#N)cn3)[nH+]c12 ZINC000342828144 377824010 /nfs/dbraw/zinc/82/40/10/377824010.db2.gz YUBQHOJKKMNCRW-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C#N)o2)[nH+]1 ZINC000343120066 377907954 /nfs/dbraw/zinc/90/79/54/377907954.db2.gz BZHLHIXZZSJQJU-UHFFFAOYSA-N 1 2 292.298 3.102 20 30 CGEDLO C=CCC[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000269417752 378219534 /nfs/dbraw/zinc/21/95/34/378219534.db2.gz QSJGJTSEXLJQGL-INIZCTEOSA-N 1 2 283.375 3.097 20 30 CGEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000269835981 378271622 /nfs/dbraw/zinc/27/16/22/378271622.db2.gz ARTWRUAYNDERLP-AWEZNQCLSA-N 1 2 298.777 3.297 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000269541294 378234457 /nfs/dbraw/zinc/23/44/57/378234457.db2.gz AYRXITSZEYKEDF-ZDUSSCGKSA-N 1 2 288.391 3.233 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000269541294 378234461 /nfs/dbraw/zinc/23/44/61/378234461.db2.gz AYRXITSZEYKEDF-ZDUSSCGKSA-N 1 2 288.391 3.233 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)OCC ZINC000270023101 378296122 /nfs/dbraw/zinc/29/61/22/378296122.db2.gz JJQRAASCOZXUNO-MRXNPFEDSA-N 1 2 299.374 3.182 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270243330 378325305 /nfs/dbraw/zinc/32/53/05/378325305.db2.gz IABBERRQHOXUNJ-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270243330 378325311 /nfs/dbraw/zinc/32/53/11/378325311.db2.gz IABBERRQHOXUNJ-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270357091 378340156 /nfs/dbraw/zinc/34/01/56/378340156.db2.gz XECOLAPIACYEMD-RNCFNFMXSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270357091 378340159 /nfs/dbraw/zinc/34/01/59/378340159.db2.gz XECOLAPIACYEMD-RNCFNFMXSA-N 1 2 287.190 3.118 20 30 CGEDLO C=C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000270665374 378384407 /nfs/dbraw/zinc/38/44/07/378384407.db2.gz WKIRKFYPPTWCOR-UHFFFAOYSA-N 1 2 299.330 3.402 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000351755869 379741448 /nfs/dbraw/zinc/74/14/48/379741448.db2.gz JSINLCILFYYCLB-SNVBAGLBSA-N 1 2 294.301 3.132 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000351755869 379741453 /nfs/dbraw/zinc/74/14/53/379741453.db2.gz JSINLCILFYYCLB-SNVBAGLBSA-N 1 2 294.301 3.132 20 30 CGEDLO C=C(CC)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000352276997 379757857 /nfs/dbraw/zinc/75/78/57/379757857.db2.gz XTTNAGNENPMBKV-NSHDSACASA-N 1 2 254.424 3.199 20 30 CGEDLO C=C(CC)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000352276997 379757862 /nfs/dbraw/zinc/75/78/62/379757862.db2.gz XTTNAGNENPMBKV-NSHDSACASA-N 1 2 254.424 3.199 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352490216 379836227 /nfs/dbraw/zinc/83/62/27/379836227.db2.gz HFQWTZMAVFAAKQ-SNVBAGLBSA-N 1 2 268.282 3.353 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000352464274 379825346 /nfs/dbraw/zinc/82/53/46/379825346.db2.gz RFFSCINAEGONFO-UHFFFAOYSA-N 1 2 285.322 3.169 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccccc2Br)CC1 ZINC000352463292 379826184 /nfs/dbraw/zinc/82/61/84/379826184.db2.gz IXQMKWBEIWYZPT-UHFFFAOYSA-N 1 2 297.171 3.277 20 30 CGEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1Cl ZINC000352464446 379828101 /nfs/dbraw/zinc/82/81/01/379828101.db2.gz TYKONOMKFATACJ-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1F ZINC000352810122 379972777 /nfs/dbraw/zinc/97/27/77/379972777.db2.gz LPEJGBAGDZXMDH-MRVPVSSYSA-N 1 2 279.315 3.144 20 30 CGEDLO Cc1c(C[NH2+]Cc2nc(C#N)cs2)oc2ccccc12 ZINC000352848366 380002308 /nfs/dbraw/zinc/00/23/08/380002308.db2.gz VSAGDTOBXMCMTL-UHFFFAOYSA-N 1 2 283.356 3.359 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411520614 380148494 /nfs/dbraw/zinc/14/84/94/380148494.db2.gz QSWNOZHWGPSBIP-KBPBESRZSA-N 1 2 280.412 3.028 20 30 CGEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1cscn1 ZINC000411181638 380133369 /nfs/dbraw/zinc/13/33/69/380133369.db2.gz FTPAZIFEZAXBKE-UHFFFAOYSA-N 1 2 263.410 3.439 20 30 CGEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cscn1 ZINC000411181638 380133378 /nfs/dbraw/zinc/13/33/78/380133378.db2.gz FTPAZIFEZAXBKE-UHFFFAOYSA-N 1 2 263.410 3.439 20 30 CGEDLO C[N@H+](Cc1cccc2c1OC(C)(C)C2)CC(C)(C)C#N ZINC000354039133 380295174 /nfs/dbraw/zinc/29/51/74/380295174.db2.gz MWARLJXUIFALOE-UHFFFAOYSA-N 1 2 272.392 3.382 20 30 CGEDLO C[N@@H+](Cc1cccc2c1OC(C)(C)C2)CC(C)(C)C#N ZINC000354039133 380295184 /nfs/dbraw/zinc/29/51/84/380295184.db2.gz MWARLJXUIFALOE-UHFFFAOYSA-N 1 2 272.392 3.382 20 30 CGEDLO CCn1cncc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000417789301 380679401 /nfs/dbraw/zinc/67/94/01/380679401.db2.gz VAFPVEHCSFBWGO-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cncc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000417789301 380679408 /nfs/dbraw/zinc/67/94/08/380679408.db2.gz VAFPVEHCSFBWGO-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1c[nH+]cc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000417789301 380679411 /nfs/dbraw/zinc/67/94/11/380679411.db2.gz VAFPVEHCSFBWGO-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO C=C(C)CSCc1[nH+]ccn1CC(F)(F)F ZINC000357044804 381009042 /nfs/dbraw/zinc/00/90/42/381009042.db2.gz VWDYZNHJNOCRFS-UHFFFAOYSA-N 1 2 250.289 3.255 20 30 CGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)C#N)c1 ZINC000358421688 381309604 /nfs/dbraw/zinc/30/96/04/381309604.db2.gz GMNOFKXZNASNTI-CYBMUJFWSA-N 1 2 296.374 3.448 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC(F)F ZINC000364278073 382267391 /nfs/dbraw/zinc/26/73/91/382267391.db2.gz BMALLGQZOSLVPK-CABCVRRESA-N 1 2 294.345 3.040 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC(F)F ZINC000364278073 382267396 /nfs/dbraw/zinc/26/73/96/382267396.db2.gz BMALLGQZOSLVPK-CABCVRRESA-N 1 2 294.345 3.040 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000369020609 382385045 /nfs/dbraw/zinc/38/50/45/382385045.db2.gz ZKHQOWKXKWWBRG-CABCVRRESA-N 1 2 270.380 3.229 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000334970567 207388861 /nfs/dbraw/zinc/38/88/61/207388861.db2.gz ZUIUHEDPNRHSHS-HNNXBMFYSA-N 1 2 290.794 3.091 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000334970567 207388864 /nfs/dbraw/zinc/38/88/64/207388864.db2.gz ZUIUHEDPNRHSHS-HNNXBMFYSA-N 1 2 290.794 3.091 20 30 CGEDLO CC/C=C/CC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000363996025 262083531 /nfs/dbraw/zinc/08/35/31/262083531.db2.gz RNNTXSODFDFXFU-OBMMGQTPSA-N 1 2 262.397 3.270 20 30 CGEDLO CC/C=C/CC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000363996025 262083534 /nfs/dbraw/zinc/08/35/34/262083534.db2.gz RNNTXSODFDFXFU-OBMMGQTPSA-N 1 2 262.397 3.270 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1F ZINC000179607490 260058933 /nfs/dbraw/zinc/05/89/33/260058933.db2.gz GFZLDALGNOQYBX-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1F ZINC000179607490 260058936 /nfs/dbraw/zinc/05/89/36/260058936.db2.gz GFZLDALGNOQYBX-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1Cl ZINC000194075813 533409242 /nfs/dbraw/zinc/40/92/42/533409242.db2.gz GSLDWOSFUBRLHI-VXGBXAGGSA-N 1 2 261.756 3.434 20 30 CGEDLO C[C@@H](CCC1CC1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329971887 533520968 /nfs/dbraw/zinc/52/09/68/533520968.db2.gz XWIGOFYRDDAGEB-LBPRGKRZSA-N 1 2 290.411 3.082 20 30 CGEDLO C[C@@H](CCC1CC1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329971887 533520972 /nfs/dbraw/zinc/52/09/72/533520972.db2.gz XWIGOFYRDDAGEB-LBPRGKRZSA-N 1 2 290.411 3.082 20 30 CGEDLO C=CCC1(C(=O)NCCCCNc2cccc[nH+]2)CCC1 ZINC000191278284 130214697 /nfs/dbraw/zinc/21/46/97/130214697.db2.gz CPCSEUVXCCRBDB-UHFFFAOYSA-N 1 2 287.407 3.136 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000093091158 392234702 /nfs/dbraw/zinc/23/47/02/392234702.db2.gz LMWCZWFEIBAOPF-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000093091158 392234706 /nfs/dbraw/zinc/23/47/06/392234706.db2.gz LMWCZWFEIBAOPF-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC(F)F ZINC000097078782 392259064 /nfs/dbraw/zinc/25/90/64/392259064.db2.gz VXHUEINZKAZZLG-SNVBAGLBSA-N 1 2 284.306 3.031 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC(F)F ZINC000097078782 392259066 /nfs/dbraw/zinc/25/90/66/392259066.db2.gz VXHUEINZKAZZLG-SNVBAGLBSA-N 1 2 284.306 3.031 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncnn1C(C)(C)C ZINC000283430284 392305755 /nfs/dbraw/zinc/30/57/55/392305755.db2.gz GGLUROSUQZYUMO-UHFFFAOYSA-N 1 2 298.434 3.264 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncnn1C(C)(C)C ZINC000283430284 392305760 /nfs/dbraw/zinc/30/57/60/392305760.db2.gz GGLUROSUQZYUMO-UHFFFAOYSA-N 1 2 298.434 3.264 20 30 CGEDLO C=C(C)CN(CC)C(=O)Cn1c2ccccc2[nH+]c1CC ZINC000255927136 131144529 /nfs/dbraw/zinc/14/45/29/131144529.db2.gz HBRRKTQUNQJECY-UHFFFAOYSA-N 1 2 285.391 3.023 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(COC)o1)Cc1ccccc1 ZINC000289762035 392431881 /nfs/dbraw/zinc/43/18/81/392431881.db2.gz QZZWZASAOVMBSO-UHFFFAOYSA-N 1 2 269.344 3.061 20 30 CGEDLO C#CC[N@H+](Cc1ccc(COC)o1)Cc1ccccc1 ZINC000289762035 392431886 /nfs/dbraw/zinc/43/18/86/392431886.db2.gz QZZWZASAOVMBSO-UHFFFAOYSA-N 1 2 269.344 3.061 20 30 CGEDLO C=C[C@@H](CO)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000289813297 392433322 /nfs/dbraw/zinc/43/33/22/392433322.db2.gz OPGJNXKUQJRXFT-CABZTGNLSA-N 1 2 290.190 3.287 20 30 CGEDLO C=CCCC[N@@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000372155421 392589004 /nfs/dbraw/zinc/58/90/04/392589004.db2.gz FVSBCDOSIWVJFA-CYBMUJFWSA-N 1 2 299.823 3.066 20 30 CGEDLO C=CCCC[N@H+](C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000372155421 392589012 /nfs/dbraw/zinc/58/90/12/392589012.db2.gz FVSBCDOSIWVJFA-CYBMUJFWSA-N 1 2 299.823 3.066 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(CC)nc1)c1ccc(Cl)cc1 ZINC000491440414 542717390 /nfs/dbraw/zinc/71/73/90/542717390.db2.gz PEFJONHKVUHWFK-HNNXBMFYSA-N 1 2 285.778 3.157 20 30 CGEDLO CCc1nc(C[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000404103270 392962923 /nfs/dbraw/zinc/96/29/23/392962923.db2.gz GMOSSFZVUPGMMY-UHFFFAOYSA-N 1 2 275.352 3.006 20 30 CGEDLO CCn1ccnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000195515388 392970025 /nfs/dbraw/zinc/97/00/25/392970025.db2.gz LKXSQPBFHIXFSK-UHFFFAOYSA-N 1 2 282.391 3.185 20 30 CGEDLO CCn1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000195515388 392970029 /nfs/dbraw/zinc/97/00/29/392970029.db2.gz LKXSQPBFHIXFSK-UHFFFAOYSA-N 1 2 282.391 3.185 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(C)(C)C#N)n1 ZINC000345717950 393065528 /nfs/dbraw/zinc/06/55/28/393065528.db2.gz VAYDPNRFLGYXRF-NSHDSACASA-N 1 2 296.440 3.255 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000345717950 393065532 /nfs/dbraw/zinc/06/55/32/393065532.db2.gz VAYDPNRFLGYXRF-NSHDSACASA-N 1 2 296.440 3.255 20 30 CGEDLO Cc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)cc(C)[nH+]1 ZINC000420652831 393515510 /nfs/dbraw/zinc/51/55/10/393515510.db2.gz NFLGBMUKUSVARV-UHFFFAOYSA-N 1 2 296.330 3.399 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccsc1 ZINC000430094604 393521599 /nfs/dbraw/zinc/52/15/99/393521599.db2.gz MUAXKJIGZSTQAL-UHFFFAOYSA-N 1 2 272.377 3.040 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccsc1 ZINC000430094604 393521602 /nfs/dbraw/zinc/52/16/02/393521602.db2.gz MUAXKJIGZSTQAL-UHFFFAOYSA-N 1 2 272.377 3.040 20 30 CGEDLO C=CCn1c(C)nnc1SCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000358859407 393528494 /nfs/dbraw/zinc/52/84/94/393528494.db2.gz ITGZVDNLPZPRTH-UHFFFAOYSA-N 1 2 299.403 3.250 20 30 CGEDLO C=CCn1c(C)nnc1SCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000358859407 393528500 /nfs/dbraw/zinc/52/85/00/393528500.db2.gz ITGZVDNLPZPRTH-UHFFFAOYSA-N 1 2 299.403 3.250 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000359869910 393556885 /nfs/dbraw/zinc/55/68/85/393556885.db2.gz FQTBEPDGEPCAJD-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(F)ccc1C#N ZINC000359869910 393556889 /nfs/dbraw/zinc/55/68/89/393556889.db2.gz FQTBEPDGEPCAJD-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO Cc1nsc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1C#N ZINC000361056764 393658829 /nfs/dbraw/zinc/65/88/29/393658829.db2.gz IMACBZXWMHOQDA-UHFFFAOYSA-N 1 2 295.371 3.325 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000491669914 393697988 /nfs/dbraw/zinc/69/79/88/393697988.db2.gz QFTIGMFXRMHUPI-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000491669914 393697991 /nfs/dbraw/zinc/69/79/91/393697991.db2.gz QFTIGMFXRMHUPI-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO Cc1cc(C#N)cc(NCc2[nH+]ccn2C(C)C)c1 ZINC000453151506 394188762 /nfs/dbraw/zinc/18/87/62/394188762.db2.gz VFVHMQZRCKKNKI-UHFFFAOYSA-N 1 2 254.337 3.256 20 30 CGEDLO C=C(CNc1nc(N(C)C)nc(C(C)C)[nH+]1)c1ccccc1 ZINC000673461545 543241683 /nfs/dbraw/zinc/24/16/83/543241683.db2.gz JUWKWSSMEPFFJW-UHFFFAOYSA-N 1 2 297.406 3.186 20 30 CGEDLO C=C(CNc1nc(C(C)C)[nH+]c(N(C)C)n1)c1ccccc1 ZINC000673461545 543241685 /nfs/dbraw/zinc/24/16/85/543241685.db2.gz JUWKWSSMEPFFJW-UHFFFAOYSA-N 1 2 297.406 3.186 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C#N)n1 ZINC000080313218 165154500 /nfs/dbraw/zinc/15/45/00/165154500.db2.gz KFCYPICAEYNQGI-LLVKDONJSA-N 1 2 257.362 3.174 20 30 CGEDLO COc1ccc(C)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092142758 165283367 /nfs/dbraw/zinc/28/33/67/165283367.db2.gz LVQYQMASCWWXAB-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO CC[N@@H+](Cc1cc(Br)cs1)C[C@H](C)C#N ZINC000043687112 175094646 /nfs/dbraw/zinc/09/46/46/175094646.db2.gz ZXNDHHSEBNYWLL-SECBINFHSA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@H+](Cc1cc(Br)cs1)C[C@H](C)C#N ZINC000043687112 175094647 /nfs/dbraw/zinc/09/46/47/175094647.db2.gz ZXNDHHSEBNYWLL-SECBINFHSA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC000044471084 175177547 /nfs/dbraw/zinc/17/75/47/175177547.db2.gz BOSWUMPSCONGSG-UHFFFAOYSA-N 1 2 273.199 3.246 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC000044471084 175177548 /nfs/dbraw/zinc/17/75/48/175177548.db2.gz BOSWUMPSCONGSG-UHFFFAOYSA-N 1 2 273.199 3.246 20 30 CGEDLO C[N@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000130877877 287365543 /nfs/dbraw/zinc/36/55/43/287365543.db2.gz DBYKMJSKFLIJAS-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1ccc(C#N)cc1 ZINC000130877877 287365545 /nfs/dbraw/zinc/36/55/45/287365545.db2.gz DBYKMJSKFLIJAS-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO C=CCOCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000664388886 418947873 /nfs/dbraw/zinc/94/78/73/418947873.db2.gz VDPPKRKUGHGLMG-UHFFFAOYSA-N 1 2 260.312 3.379 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@H](c2ncccc2C)C(C)C)nn1 ZINC000653580460 419052959 /nfs/dbraw/zinc/05/29/59/419052959.db2.gz QVWSMNHYEVFTIB-INIZCTEOSA-N 1 2 299.422 3.045 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000666493322 419222690 /nfs/dbraw/zinc/22/26/90/419222690.db2.gz XLJMXPLICZUDAL-HIFRSBDPSA-N 1 2 273.380 3.068 20 30 CGEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661543161 419271131 /nfs/dbraw/zinc/27/11/31/419271131.db2.gz UTOSHRHHGCFHFL-JTQLQIEISA-N 1 2 271.286 3.208 20 30 CGEDLO C=C(C)C[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661543161 419271134 /nfs/dbraw/zinc/27/11/34/419271134.db2.gz UTOSHRHHGCFHFL-JTQLQIEISA-N 1 2 271.286 3.208 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000356053628 228102072 /nfs/dbraw/zinc/10/20/72/228102072.db2.gz AMUUGNAGNUOOKW-HNNXBMFYSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000356053628 228102074 /nfs/dbraw/zinc/10/20/74/228102074.db2.gz AMUUGNAGNUOOKW-HNNXBMFYSA-N 1 2 299.399 3.360 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(c3ccc(O)cc3)CC2)n1 ZINC000356069950 228109312 /nfs/dbraw/zinc/10/93/12/228109312.db2.gz XIOQTFFZTKIWIX-UHFFFAOYSA-N 1 2 299.399 3.100 20 30 CGEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356095082 228118562 /nfs/dbraw/zinc/11/85/62/228118562.db2.gz XBQKBQGXIXOABC-MNOVXSKESA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356095082 228118564 /nfs/dbraw/zinc/11/85/64/228118564.db2.gz XBQKBQGXIXOABC-MNOVXSKESA-N 1 2 298.308 3.186 20 30 CGEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000352090889 228181179 /nfs/dbraw/zinc/18/11/79/228181179.db2.gz DZDIKGXIKHXWMF-CQSZACIVSA-N 1 2 296.418 3.140 20 30 CGEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000352090889 228181180 /nfs/dbraw/zinc/18/11/80/228181180.db2.gz DZDIKGXIKHXWMF-CQSZACIVSA-N 1 2 296.418 3.140 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000297824215 260135796 /nfs/dbraw/zinc/13/57/96/260135796.db2.gz JJTZSQPWDKECNC-AWEZNQCLSA-N 1 2 283.375 3.240 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000297824215 260135798 /nfs/dbraw/zinc/13/57/98/260135798.db2.gz JJTZSQPWDKECNC-AWEZNQCLSA-N 1 2 283.375 3.240 20 30 CGEDLO CCCCCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863274 260604313 /nfs/dbraw/zinc/60/43/13/260604313.db2.gz OKALMUNJZNDQJS-UHFFFAOYSA-N 1 2 277.412 3.407 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCOC2(CCCC2)C1 ZINC000128487677 260817688 /nfs/dbraw/zinc/81/76/88/260817688.db2.gz ILLNFMGTXNTYSN-RFRKOGIWSA-N 1 2 259.349 3.303 20 30 CGEDLO NC(=[NH+]OCCCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000154282012 261090319 /nfs/dbraw/zinc/09/03/19/261090319.db2.gz CNYZOAYESNRATO-UHFFFAOYSA-N 1 2 296.239 3.334 20 30 CGEDLO CCOc1cccc(C[NH2+][C@H](CC)CC#N)c1OC(F)F ZINC000184090151 262008165 /nfs/dbraw/zinc/00/81/65/262008165.db2.gz FGHBWVMWYLZWOA-GFCCVEGCSA-N 1 2 298.333 3.469 20 30 CGEDLO N#CCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186198602 262084011 /nfs/dbraw/zinc/08/40/11/262084011.db2.gz CXRHVLDMZAWVGQ-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO N#CCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186198602 262084014 /nfs/dbraw/zinc/08/40/14/262084014.db2.gz CXRHVLDMZAWVGQ-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO CCCn1c2ccccc2nc1C[NH2+][C@H](CC)CC#N ZINC000054183968 262259648 /nfs/dbraw/zinc/25/96/48/262259648.db2.gz BDOOKPKNEZJMBB-CYBMUJFWSA-N 1 2 270.380 3.228 20 30 CGEDLO C#CCC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000365092032 262278068 /nfs/dbraw/zinc/27/80/68/262278068.db2.gz WLTPOSNRZRUEAY-OAHLLOKOSA-N 1 2 299.418 3.090 20 30 CGEDLO N#CCC[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC000411468904 262695035 /nfs/dbraw/zinc/69/50/35/262695035.db2.gz JWPWDUWHTVWMKW-GOSISDBHSA-N 1 2 280.371 3.448 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000274814282 263030513 /nfs/dbraw/zinc/03/05/13/263030513.db2.gz IKYUNJQPGWSRKM-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO C[C@@H](CCC#N)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276312901 263036063 /nfs/dbraw/zinc/03/60/63/263036063.db2.gz MSDIPQGOKBPVBU-JTQLQIEISA-N 1 2 281.743 3.372 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276312901 263036064 /nfs/dbraw/zinc/03/60/64/263036064.db2.gz MSDIPQGOKBPVBU-JTQLQIEISA-N 1 2 281.743 3.372 20 30 CGEDLO COc1cc(Cl)ccc1C[NH+]1CCC(C#N)CC1 ZINC000280402028 263061336 /nfs/dbraw/zinc/06/13/36/263061336.db2.gz HGJQKMVQNMULBB-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Cl)cc1OC ZINC000280521665 263062493 /nfs/dbraw/zinc/06/24/93/263062493.db2.gz RDKAJSVAOFZYCX-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Cl)cc1OC ZINC000280521665 263062494 /nfs/dbraw/zinc/06/24/94/263062494.db2.gz RDKAJSVAOFZYCX-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC(C)C[C@@H](C)C[N@H+](CCC#N)Cc1cccnc1 ZINC000281948763 263073349 /nfs/dbraw/zinc/07/33/49/263073349.db2.gz JJSWYTVGDKIZKI-OAHLLOKOSA-N 1 2 259.397 3.479 20 30 CGEDLO CC(C)C[C@@H](C)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000281948763 263073350 /nfs/dbraw/zinc/07/33/50/263073350.db2.gz JJSWYTVGDKIZKI-OAHLLOKOSA-N 1 2 259.397 3.479 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C)cs1)Cc1ccccc1 ZINC000285722411 263095285 /nfs/dbraw/zinc/09/52/85/263095285.db2.gz PKOAPORJIUTKQF-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO C#CC[N@H+](Cc1nc(C)cs1)Cc1ccccc1 ZINC000285722411 263095286 /nfs/dbraw/zinc/09/52/86/263095286.db2.gz PKOAPORJIUTKQF-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1C(F)(F)F ZINC000292210559 263129742 /nfs/dbraw/zinc/12/97/42/263129742.db2.gz OJKOWTLZXCAOAP-AWEZNQCLSA-N 1 2 298.308 3.140 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccccc1C(F)(F)F ZINC000292210559 263129743 /nfs/dbraw/zinc/12/97/43/263129743.db2.gz OJKOWTLZXCAOAP-AWEZNQCLSA-N 1 2 298.308 3.140 20 30 CGEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C(C)(C)C#N ZINC000293442912 263140575 /nfs/dbraw/zinc/14/05/75/263140575.db2.gz OTQPNYYLBDJTAS-UHFFFAOYSA-N 1 2 260.337 3.106 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000341986852 263381252 /nfs/dbraw/zinc/38/12/52/263381252.db2.gz WBZOCECFTQWGPW-HNNXBMFYSA-N 1 2 272.392 3.282 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330871442 264059469 /nfs/dbraw/zinc/05/94/69/264059469.db2.gz ZUVJUPZKTCWOSG-OFQRWUPVSA-N 1 2 299.418 3.419 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125974900 264122572 /nfs/dbraw/zinc/12/25/72/264122572.db2.gz PVLBEFGDFUZBKA-ZBFHGGJFSA-N 1 2 287.407 3.061 20 30 CGEDLO CCOC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000331302938 264200468 /nfs/dbraw/zinc/20/04/68/264200468.db2.gz FHKCGAPLCJLPEQ-AWEZNQCLSA-N 1 2 293.411 3.394 20 30 CGEDLO CCC(CC)[C@@H](O)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331347646 264205817 /nfs/dbraw/zinc/20/58/17/264205817.db2.gz WTKMGFLOWIFSOJ-AWEZNQCLSA-N 1 2 293.411 3.130 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2c(F)cc(C)cc2F)CC1 ZINC000425376412 264215808 /nfs/dbraw/zinc/21/58/08/264215808.db2.gz FAPNJCBEEXQUAZ-UHFFFAOYSA-N 1 2 294.345 3.025 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000293409755 264939313 /nfs/dbraw/zinc/93/93/13/264939313.db2.gz HJBMGMVLPMUFNI-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO Cn1c2ccccc2[nH+]c1N1CCC(CCC#N)CC1 ZINC000335380408 265153790 /nfs/dbraw/zinc/15/37/90/265153790.db2.gz PTTVDWDKCDUQTI-UHFFFAOYSA-N 1 2 268.364 3.093 20 30 CGEDLO C=CCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000355982026 266053989 /nfs/dbraw/zinc/05/39/89/266053989.db2.gz IJRIRWDYPGZPDT-UHFFFAOYSA-N 1 2 294.358 3.490 20 30 CGEDLO CCO[C@@H](C)c1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000356454019 266116790 /nfs/dbraw/zinc/11/67/90/266116790.db2.gz KJHXBFXATUWMMB-LBPRGKRZSA-N 1 2 293.436 3.366 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2F)CCC1 ZINC000418137426 267372288 /nfs/dbraw/zinc/37/22/88/267372288.db2.gz DUBINHNMBUBNSI-UHFFFAOYSA-N 1 2 252.720 3.263 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cncc4ccccc43)n2c1 ZINC000556597694 289399925 /nfs/dbraw/zinc/39/99/25/289399925.db2.gz XPXIUZUPLYEGFK-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451648533 303175913 /nfs/dbraw/zinc/17/59/13/303175913.db2.gz LIDMGJLYPKJXHP-HNNXBMFYSA-N 1 2 276.380 3.025 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451648533 303175914 /nfs/dbraw/zinc/17/59/14/303175914.db2.gz LIDMGJLYPKJXHP-HNNXBMFYSA-N 1 2 276.380 3.025 20 30 CGEDLO N#Cc1ccnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c1Cl ZINC000429219142 303209830 /nfs/dbraw/zinc/20/98/30/303209830.db2.gz XLYSRLMXIBVWKI-NSHDSACASA-N 1 2 287.754 3.061 20 30 CGEDLO CCOc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)cc1CO ZINC000185740996 327843753 /nfs/dbraw/zinc/84/37/53/327843753.db2.gz URMPXPRXPBOHNT-GXTWGEPZSA-N 1 2 274.364 3.072 20 30 CGEDLO COc1cc2c(cc1C[N@H+](CCC#N)C(C)C)O[C@H](C)C2 ZINC000534342139 328049788 /nfs/dbraw/zinc/04/97/88/328049788.db2.gz LECOSDQZVZUDBS-CYBMUJFWSA-N 1 2 288.391 3.143 20 30 CGEDLO COc1cc2c(cc1C[N@@H+](CCC#N)C(C)C)O[C@H](C)C2 ZINC000534342139 328049789 /nfs/dbraw/zinc/04/97/89/328049789.db2.gz LECOSDQZVZUDBS-CYBMUJFWSA-N 1 2 288.391 3.143 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCOC3(CCC3)C2)c1O ZINC000269022429 328188905 /nfs/dbraw/zinc/18/89/05/328188905.db2.gz IZSRZXOTBMHZQY-CRRKTRLDSA-N 1 2 289.375 3.312 20 30 CGEDLO Cc1ccc(C#N)c(NCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000160830076 321857740 /nfs/dbraw/zinc/85/77/40/321857740.db2.gz YRPNRCNQYHCWSE-UHFFFAOYSA-N 1 2 291.358 3.183 20 30 CGEDLO CCn1cc[nH+]c1CNc1cccc(C(F)F)c1C#N ZINC000566748785 322137154 /nfs/dbraw/zinc/13/71/54/322137154.db2.gz TZLNMNJWIZMKPZ-UHFFFAOYSA-N 1 2 276.290 3.324 20 30 CGEDLO N#Cc1ccc(COc2ccccc2-n2cc[nH+]c2)cc1 ZINC000572790727 322355389 /nfs/dbraw/zinc/35/53/89/322355389.db2.gz LFLAMKDWRWUBLQ-UHFFFAOYSA-N 1 2 275.311 3.323 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000559467178 327246835 /nfs/dbraw/zinc/24/68/35/327246835.db2.gz LWURNDSOXYONQD-CQSZACIVSA-N 1 2 280.371 3.122 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000559467178 327246837 /nfs/dbraw/zinc/24/68/37/327246837.db2.gz LWURNDSOXYONQD-CQSZACIVSA-N 1 2 280.371 3.122 20 30 CGEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000181285477 329229394 /nfs/dbraw/zinc/22/93/94/329229394.db2.gz TTYXGVAKDHJCAI-CQSZACIVSA-N 1 2 292.423 3.003 20 30 CGEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000181285477 329229396 /nfs/dbraw/zinc/22/93/96/329229396.db2.gz TTYXGVAKDHJCAI-CQSZACIVSA-N 1 2 292.423 3.003 20 30 CGEDLO Cc1ccc(C[S@@](=O)CCCC(C)(C)C#N)c(C)[nH+]1 ZINC000187228887 329355703 /nfs/dbraw/zinc/35/57/03/329355703.db2.gz WRUFQDHUOGJDRU-IBGZPJMESA-N 1 2 278.421 3.277 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)ccc1OC(F)F ZINC000583296111 329439599 /nfs/dbraw/zinc/43/95/99/329439599.db2.gz PUFNNWWTBIWWDL-LBPRGKRZSA-N 1 2 268.307 3.378 20 30 CGEDLO C=CC1CC[NH+]([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532965513 330323387 /nfs/dbraw/zinc/32/33/87/330323387.db2.gz JHIPCAIOWHSFPR-HNNXBMFYSA-N 1 2 293.794 3.452 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000060893045 330426964 /nfs/dbraw/zinc/42/69/64/330426964.db2.gz TYGIHEAKHGTXHV-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441312486 330765483 /nfs/dbraw/zinc/76/54/83/330765483.db2.gz QKBAWZOKTPTOLY-UHFFFAOYSA-N 1 2 271.339 3.163 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442833684 330786045 /nfs/dbraw/zinc/78/60/45/330786045.db2.gz HZUJAEHOWCKOPN-MJBXVCDLSA-N 1 2 280.412 3.026 20 30 CGEDLO C=CCC1(C[NH2+][C@H](c2nnc[nH]2)c2cccnc2)CCCC1 ZINC000453390495 331127239 /nfs/dbraw/zinc/12/72/39/331127239.db2.gz XZZCIDXASOJOJL-HNNXBMFYSA-N 1 2 297.406 3.015 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000455335259 331166701 /nfs/dbraw/zinc/16/67/01/331166701.db2.gz YZULMGHPKMSYAR-UHFFFAOYSA-N 1 2 272.352 3.058 20 30 CGEDLO C=C[C@H](CC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456372530 331191494 /nfs/dbraw/zinc/19/14/94/331191494.db2.gz ZIAAIILRLRZICL-HUUCEWRRSA-N 1 2 297.402 3.440 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000488369838 332002493 /nfs/dbraw/zinc/00/24/93/332002493.db2.gz SFEOVCGIXMKYAZ-UHFFFAOYSA-N 1 2 292.342 3.112 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000489491060 332056104 /nfs/dbraw/zinc/05/61/04/332056104.db2.gz BQEIQYHBAZJRHN-LBPRGKRZSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000489491060 332056105 /nfs/dbraw/zinc/05/61/05/332056105.db2.gz BQEIQYHBAZJRHN-LBPRGKRZSA-N 1 2 296.773 3.458 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000491525720 332230345 /nfs/dbraw/zinc/23/03/45/332230345.db2.gz UTZINRVJWHEJQG-LLVKDONJSA-N 1 2 290.798 3.119 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000491525720 332230346 /nfs/dbraw/zinc/23/03/46/332230346.db2.gz UTZINRVJWHEJQG-LLVKDONJSA-N 1 2 290.798 3.119 20 30 CGEDLO C#C[C@@H](CC)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491738937 332318436 /nfs/dbraw/zinc/31/84/36/332318436.db2.gz XAMBZFMFGRBUFU-HNNXBMFYSA-N 1 2 294.354 3.324 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000189525734 333194222 /nfs/dbraw/zinc/19/42/22/333194222.db2.gz TWJJNYMKXBBXNY-UHFFFAOYSA-N 1 2 287.588 3.448 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(Br)c(Cl)c1 ZINC000189525734 333194223 /nfs/dbraw/zinc/19/42/23/333194223.db2.gz TWJJNYMKXBBXNY-UHFFFAOYSA-N 1 2 287.588 3.448 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000227986322 333292107 /nfs/dbraw/zinc/29/21/07/333292107.db2.gz JZPYTSDJNVDLGT-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000523437006 333326783 /nfs/dbraw/zinc/32/67/83/333326783.db2.gz PEMZGIPAHCHFFE-CQSZACIVSA-N 1 2 275.392 3.405 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000523437006 333326785 /nfs/dbraw/zinc/32/67/85/333326785.db2.gz PEMZGIPAHCHFFE-CQSZACIVSA-N 1 2 275.392 3.405 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000542810446 333842228 /nfs/dbraw/zinc/84/22/28/333842228.db2.gz IXXPRHODVXVRMD-UHFFFAOYSA-N 1 2 292.766 3.194 20 30 CGEDLO CCCCc1nc(C[NH2+][C@@H](CC)CC#N)cs1 ZINC000576237716 335175601 /nfs/dbraw/zinc/17/56/01/335175601.db2.gz HESQYIUPHLQVSX-NSHDSACASA-N 1 2 251.399 3.268 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000552015564 334275247 /nfs/dbraw/zinc/27/52/47/334275247.db2.gz AFEWBTYBMHZPLZ-NSHDSACASA-N 1 2 273.361 3.075 20 30 CGEDLO C=C(C)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091980960 334388760 /nfs/dbraw/zinc/38/87/60/334388760.db2.gz PBXKHZGETBJPKI-CQSZACIVSA-N 1 2 262.372 3.080 20 30 CGEDLO N#C[C@H]1CC[C@@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000567250670 334697910 /nfs/dbraw/zinc/69/79/10/334697910.db2.gz RPIPYTFLAQDNTA-GXFFZTMASA-N 1 2 268.282 3.199 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3cccc(C#N)c3C)cn2c1 ZINC000179050856 335471270 /nfs/dbraw/zinc/47/12/70/335471270.db2.gz ORRKUTGSDMRSHD-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1nc2ccccc2o1 ZINC000331827109 533985886 /nfs/dbraw/zinc/98/58/86/533985886.db2.gz XLYVHECRNYFNCN-SDDRHHMPSA-N 1 2 255.321 3.171 20 30 CGEDLO C[C@H]1COCC[N@@H+]1CCSc1cccc(Cl)c1C#N ZINC000413004855 534029228 /nfs/dbraw/zinc/02/92/28/534029228.db2.gz YBEYIVIJKJJPSB-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@H]1COCC[N@H+]1CCSc1cccc(Cl)c1C#N ZINC000413004855 534029233 /nfs/dbraw/zinc/02/92/33/534029233.db2.gz YBEYIVIJKJJPSB-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184391298 518583992 /nfs/dbraw/zinc/58/39/92/518583992.db2.gz ZUHQTCPWLFOMFL-VIFPVBQESA-N 1 2 275.215 3.401 20 30 CGEDLO CC(C)[C@@H](NC(=O)c1scnc1C1CC1)c1[nH]cc[nH+]1 ZINC000329934031 528335978 /nfs/dbraw/zinc/33/59/78/528335978.db2.gz QJEQZEKHCJHDGM-SNVBAGLBSA-N 1 2 290.392 3.446 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@H](C)C#N ZINC000353286553 528762871 /nfs/dbraw/zinc/76/28/71/528762871.db2.gz OCXGIZQHLGZPOB-CYBMUJFWSA-N 1 2 269.348 3.323 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccccc2)no1)C[C@H](C)C#N ZINC000353286553 528762872 /nfs/dbraw/zinc/76/28/72/528762872.db2.gz OCXGIZQHLGZPOB-CYBMUJFWSA-N 1 2 269.348 3.323 20 30 CGEDLO CC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000356091563 528765856 /nfs/dbraw/zinc/76/58/56/528765856.db2.gz SNQYSZRNKALDFT-JTQLQIEISA-N 1 2 286.297 3.393 20 30 CGEDLO CC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000356091563 528765864 /nfs/dbraw/zinc/76/58/64/528765864.db2.gz SNQYSZRNKALDFT-JTQLQIEISA-N 1 2 286.297 3.393 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000336432738 528841236 /nfs/dbraw/zinc/84/12/36/528841236.db2.gz TWIUTZYNIXQOPC-UHFFFAOYSA-N 1 2 289.326 3.288 20 30 CGEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1nc(C)cs1 ZINC000352835292 529189856 /nfs/dbraw/zinc/18/98/56/529189856.db2.gz OOFZFUNEWWBGPL-SNVBAGLBSA-N 1 2 278.406 3.021 20 30 CGEDLO CCS[C@H]1CCC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224578 529230606 /nfs/dbraw/zinc/23/06/06/529230606.db2.gz DXNGCZHQTJQYKO-KBPBESRZSA-N 1 2 275.421 3.160 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000728685943 571815136 /nfs/dbraw/zinc/81/51/36/571815136.db2.gz JDCSVLVMQCROIT-UHFFFAOYSA-N 1 2 284.197 3.344 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000728685943 571815137 /nfs/dbraw/zinc/81/51/37/571815137.db2.gz JDCSVLVMQCROIT-UHFFFAOYSA-N 1 2 284.197 3.344 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000728746346 571817303 /nfs/dbraw/zinc/81/73/03/571817303.db2.gz BYTHPPOYEGAZNJ-CQSZACIVSA-N 1 2 294.443 3.216 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000731156667 572398172 /nfs/dbraw/zinc/39/81/72/572398172.db2.gz JHQGGLAKHWASLO-AATRIKPKSA-N 1 2 282.221 3.204 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(-c2ccncc2)c1 ZINC000741473235 572501769 /nfs/dbraw/zinc/50/17/69/572501769.db2.gz OSKBWMFRDLFDAK-SNAWJCMRSA-N 1 2 275.311 3.368 20 30 CGEDLO CO[C@@H](C)CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000726428477 572576625 /nfs/dbraw/zinc/57/66/25/572576625.db2.gz BKOMIGNHNJOTDO-UEMWTREESA-N 1 2 257.333 3.389 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733614011 572591696 /nfs/dbraw/zinc/59/16/96/572591696.db2.gz UNACVIVNYPPXIV-TXEJJXNPSA-N 1 2 288.819 3.069 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000733614011 572591700 /nfs/dbraw/zinc/59/17/00/572591700.db2.gz UNACVIVNYPPXIV-TXEJJXNPSA-N 1 2 288.819 3.069 20 30 CGEDLO C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000738337264 572625019 /nfs/dbraw/zinc/62/50/19/572625019.db2.gz AQBRAXKJQZCKCP-NSHDSACASA-N 1 2 296.823 3.180 20 30 CGEDLO C[C@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000738337264 572625022 /nfs/dbraw/zinc/62/50/22/572625022.db2.gz AQBRAXKJQZCKCP-NSHDSACASA-N 1 2 296.823 3.180 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CC[C@@H](SC)C2)c1 ZINC000743042329 572636168 /nfs/dbraw/zinc/63/61/68/572636168.db2.gz IYRNNKYUPNVRFX-RLYUOEPHSA-N 1 2 265.378 3.104 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)C(C)(C)CO1 ZINC000734485457 572658587 /nfs/dbraw/zinc/65/85/87/572658587.db2.gz JBZJVHIXGBFZDU-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)C(C)(C)CO1 ZINC000734485457 572658592 /nfs/dbraw/zinc/65/85/92/572658592.db2.gz JBZJVHIXGBFZDU-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/[C@H](C)CCc1cccn1C ZINC000741845841 572720224 /nfs/dbraw/zinc/72/02/24/572720224.db2.gz WZUOMIGEQLWQOK-RNEAKCBISA-N 1 2 286.375 3.180 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@H]1C/[NH+]=C\c1cccc(O)c1O ZINC000735620157 572735573 /nfs/dbraw/zinc/73/55/73/572735573.db2.gz VNQKHJXVZXDMTM-GCTBXOEYSA-N 1 2 291.391 3.358 20 30 CGEDLO C#CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000746114164 572854576 /nfs/dbraw/zinc/85/45/76/572854576.db2.gz DRMOOPNTEFZKCQ-UHFFFAOYSA-N 1 2 282.156 3.186 20 30 CGEDLO C#CC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000746114164 572854578 /nfs/dbraw/zinc/85/45/78/572854578.db2.gz DRMOOPNTEFZKCQ-UHFFFAOYSA-N 1 2 282.156 3.186 20 30 CGEDLO Clc1ccc(C=NNc2cc[nH+]c3ccccc23)cn1 ZINC000748788043 572984101 /nfs/dbraw/zinc/98/41/01/572984101.db2.gz LAPOCXAPOFPYRC-UHFFFAOYSA-N 1 2 282.734 3.151 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cccc(C#N)c3)n21 ZINC000748998295 572987847 /nfs/dbraw/zinc/98/78/47/572987847.db2.gz PMZMZZNTAAJURN-CMDGGOBGSA-N 1 2 287.322 3.411 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2CCC(OC)CC2)c(O)c1 ZINC000749932157 573062130 /nfs/dbraw/zinc/06/21/30/573062130.db2.gz ZWNUIHMCTIWLRO-PDGQHHTCSA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000957302500 613294563 /nfs/dbraw/zinc/29/45/63/613294563.db2.gz RNJFVULHARHPNY-WKILWMFISA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2occc2C(C)C)C1 ZINC000951365170 613297865 /nfs/dbraw/zinc/29/78/65/613297865.db2.gz IBSYYXXSLMOWQH-UHFFFAOYSA-N 1 2 290.407 3.125 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970768197 613372197 /nfs/dbraw/zinc/37/21/97/613372197.db2.gz COCZWEHQKDBYGQ-UBHSHLNASA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000981107995 613373059 /nfs/dbraw/zinc/37/30/59/613373059.db2.gz FPBSKMKOQYRCJQ-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000981107995 613373060 /nfs/dbraw/zinc/37/30/60/613373060.db2.gz FPBSKMKOQYRCJQ-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC000948692681 613710806 /nfs/dbraw/zinc/71/08/06/613710806.db2.gz BJDKICQULMWRJF-JCYILVPMSA-N 1 2 292.467 3.169 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)F)c(F)c1 ZINC000891578972 618239742 /nfs/dbraw/zinc/23/97/42/618239742.db2.gz RIFCELQTMJYRAG-UHFFFAOYSA-N 1 2 256.271 3.499 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)F)c(F)c1 ZINC000891578972 618239743 /nfs/dbraw/zinc/23/97/43/618239743.db2.gz RIFCELQTMJYRAG-UHFFFAOYSA-N 1 2 256.271 3.499 20 30 CGEDLO CC[N@@H+](Cc1c(C)nn(C(C)C)c1C)C[C@@H](C)C#N ZINC000891716294 618256493 /nfs/dbraw/zinc/25/64/93/618256493.db2.gz NOTBAWBJAXTUPQ-LBPRGKRZSA-N 1 2 262.401 3.062 20 30 CGEDLO CC[N@H+](Cc1c(C)nn(C(C)C)c1C)C[C@@H](C)C#N ZINC000891716294 618256495 /nfs/dbraw/zinc/25/64/95/618256495.db2.gz NOTBAWBJAXTUPQ-LBPRGKRZSA-N 1 2 262.401 3.062 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1csc(C#N)c1 ZINC000892224256 618604450 /nfs/dbraw/zinc/60/44/50/618604450.db2.gz RWWARYNMGSZAHI-UHFFFAOYSA-N 1 2 279.796 3.244 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1csc(C#N)c1 ZINC000892224256 618604451 /nfs/dbraw/zinc/60/44/51/618604451.db2.gz RWWARYNMGSZAHI-UHFFFAOYSA-N 1 2 279.796 3.244 20 30 CGEDLO CC[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc(C#N)c1O ZINC000926777499 618883879 /nfs/dbraw/zinc/88/38/79/618883879.db2.gz CZHWJDRNECEBHN-WFASDCNBSA-N 1 2 290.432 3.448 20 30 CGEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000775616490 619081281 /nfs/dbraw/zinc/08/12/81/619081281.db2.gz DUIPOYQIWFSDMA-VIFPVBQESA-N 1 2 273.311 3.153 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cccc(C#N)c1O ZINC000925690382 619139456 /nfs/dbraw/zinc/13/94/56/619139456.db2.gz JJQLIACHJFVENU-BPUTZDHNSA-N 1 2 288.391 3.120 20 30 CGEDLO N#Cc1ccccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000194584686 619141160 /nfs/dbraw/zinc/14/11/60/619141160.db2.gz KTRRVIWGKXTLPM-CMDGGOBGSA-N 1 2 273.295 3.102 20 30 CGEDLO C=C(CC)C[NH2+]Cc1cccc(Br)c1O ZINC000313496812 619175350 /nfs/dbraw/zinc/17/53/50/619175350.db2.gz JFSWSXMVSHNJOW-UHFFFAOYSA-N 1 2 270.170 3.211 20 30 CGEDLO COc1ccc2ccc(NCC3(CC#N)CC3)[nH+]c2c1 ZINC000893649358 619269235 /nfs/dbraw/zinc/26/92/35/619269235.db2.gz RYZVDZDVHNOAJS-UHFFFAOYSA-N 1 2 267.332 3.349 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2csc(C#N)c2)cn1 ZINC000894248261 619440910 /nfs/dbraw/zinc/44/09/10/619440910.db2.gz JYWFHDCQOMEBBJ-UHFFFAOYSA-N 1 2 286.404 3.165 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2csc(C#N)c2)cn1 ZINC000894248261 619440912 /nfs/dbraw/zinc/44/09/12/619440912.db2.gz JYWFHDCQOMEBBJ-UHFFFAOYSA-N 1 2 286.404 3.165 20 30 CGEDLO C#C[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(Cl)cc1 ZINC000894552745 619574509 /nfs/dbraw/zinc/57/45/09/619574509.db2.gz KAJWPTBUQOAAHN-HNNXBMFYSA-N 1 2 299.805 3.026 20 30 CGEDLO CO[C@@H]1COCC[C@@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000840706862 620086033 /nfs/dbraw/zinc/08/60/33/620086033.db2.gz LTGBGOQYFIGLAP-FFNNOTQGSA-N 1 2 299.370 3.016 20 30 CGEDLO N#Cc1ccccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000179092835 620194577 /nfs/dbraw/zinc/19/45/77/620194577.db2.gz GLIKCHCJGODOOC-UHFFFAOYSA-N 1 2 266.319 3.476 20 30 CGEDLO CC(C)(C)c1ncc(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000897632137 620414307 /nfs/dbraw/zinc/41/43/07/620414307.db2.gz HTRDRCZRNXNUGE-UHFFFAOYSA-N 1 2 292.433 3.059 20 30 CGEDLO CC1(C)C[C@@H](C/[NH+]=C/c2cccc(O)c2O)C(C)(C)O1 ZINC000899228046 620627321 /nfs/dbraw/zinc/62/73/21/620627321.db2.gz XJAKLYQSKVYSED-UWONZBIMSA-N 1 2 277.364 3.110 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccccc2C1(C)C ZINC000901465600 620895711 /nfs/dbraw/zinc/89/57/11/620895711.db2.gz UZITYMDWFWFZKW-OQLLNIDSSA-N 1 2 266.344 3.461 20 30 CGEDLO Cc1[nH]c(/C=C2\CCc3ccc(F)cc3C2=O)[nH+]c1C ZINC000901488411 620898144 /nfs/dbraw/zinc/89/81/44/620898144.db2.gz FMHKQBLPYCXNKL-KPKJPENVSA-N 1 2 270.307 3.378 20 30 CGEDLO CCc1cccc2c1OC/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901507038 620905437 /nfs/dbraw/zinc/90/54/37/620905437.db2.gz SUNNQGKDDKBHRB-JYRVWZFOSA-N 1 2 282.343 3.248 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc2c(c1)CCCO2 ZINC000901539192 620919478 /nfs/dbraw/zinc/91/94/78/620919478.db2.gz HUBBTNMCDXUHJL-VOTSOKGWSA-N 1 2 282.343 3.124 20 30 CGEDLO CC(C)Cc1ccc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000902066638 621134820 /nfs/dbraw/zinc/13/48/20/621134820.db2.gz HZKLRDSOOMTNAO-UHFFFAOYSA-N 1 2 280.375 3.353 20 30 CGEDLO Cc1ccc2[nH+]c(C)cc(OCCO[C@@H](C)C#N)c2c1 ZINC000902693098 621403104 /nfs/dbraw/zinc/40/31/04/621403104.db2.gz NYTGLGXJQSSKSE-ZDUSSCGKSA-N 1 2 270.332 3.159 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1nc2ccc(Cl)cc2n1C ZINC000903100684 621573126 /nfs/dbraw/zinc/57/31/26/621573126.db2.gz VNHPLFSDYDKJGM-SNVBAGLBSA-N 1 2 290.798 3.427 20 30 CGEDLO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903267592 621654626 /nfs/dbraw/zinc/65/46/26/621654626.db2.gz DXVJDCMDCGEUHI-NSHDSACASA-N 1 2 287.388 3.183 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2C[C@H]3CC[C@@H](C2)S3)c1O ZINC000905001023 622026832 /nfs/dbraw/zinc/02/68/32/622026832.db2.gz CINLPHLJNSVHAX-HIJMVYMZSA-N 1 2 291.416 3.494 20 30 CGEDLO CC(=NO[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905456592 622077779 /nfs/dbraw/zinc/07/77/79/622077779.db2.gz LDMIRAFQLFTIOT-INIZCTEOSA-N 1 2 285.347 3.140 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cncc(F)c3)n2c1 ZINC000151427988 622782204 /nfs/dbraw/zinc/78/22/04/622782204.db2.gz IEBKEKSJJKXDPI-ONEGZZNKSA-N 1 2 281.290 3.073 20 30 CGEDLO N#CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227777876 623030697 /nfs/dbraw/zinc/03/06/97/623030697.db2.gz RAEXEHAERKOMBH-UHFFFAOYSA-N 1 2 279.590 3.167 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993328136 624026114 /nfs/dbraw/zinc/02/61/14/624026114.db2.gz MMWWAMGSLUNOQX-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993328136 624026118 /nfs/dbraw/zinc/02/61/18/624026118.db2.gz MMWWAMGSLUNOQX-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO Fc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917022758 624227979 /nfs/dbraw/zinc/22/79/79/624227979.db2.gz IJDXEIPWDXIPPH-UHFFFAOYSA-N 1 2 280.306 3.457 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2c[nH]c3ccccc23)c1O ZINC000920943298 624555897 /nfs/dbraw/zinc/55/58/97/624555897.db2.gz UURFPCVYYRGWOC-ZDLGFXPLSA-N 1 2 280.327 3.241 20 30 CGEDLO C#CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000839042769 626309137 /nfs/dbraw/zinc/30/91/37/626309137.db2.gz NIBFSZDXTMSCHJ-GOEBONIOSA-N 1 2 273.376 3.025 20 30 CGEDLO C#CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000839042769 626309139 /nfs/dbraw/zinc/30/91/39/626309139.db2.gz NIBFSZDXTMSCHJ-GOEBONIOSA-N 1 2 273.376 3.025 20 30 CGEDLO CC(Cc1ccsc1)=[NH+]n1cc(Br)cn1 ZINC000752748054 626437049 /nfs/dbraw/zinc/43/70/49/626437049.db2.gz WJUGMDBFDJHVQG-UHFFFAOYSA-N 1 2 284.182 3.174 20 30 CGEDLO CC[C@H](C)N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000790184396 626612283 /nfs/dbraw/zinc/61/22/83/626612283.db2.gz VFUVAIGJMRGLPV-VIFPVBQESA-N 1 2 286.832 3.119 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(CC)s1)Cc1ccccc1 ZINC000809715618 626840618 /nfs/dbraw/zinc/84/06/18/626840618.db2.gz DYEBKQCLJAZVNE-UHFFFAOYSA-N 1 2 270.401 3.341 20 30 CGEDLO C#CC[N@H+](Cc1cnc(CC)s1)Cc1ccccc1 ZINC000809715618 626840619 /nfs/dbraw/zinc/84/06/19/626840619.db2.gz DYEBKQCLJAZVNE-UHFFFAOYSA-N 1 2 270.401 3.341 20 30 CGEDLO CCC(CC)(CC)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000759115765 626875009 /nfs/dbraw/zinc/87/50/09/626875009.db2.gz HUMUZUSTEIQXAB-CXUHLZMHSA-N 1 2 265.353 3.439 20 30 CGEDLO Cc1cccc(C)c1CC/[NH+]=C\c1cccc(O)c1O ZINC000764414501 627206811 /nfs/dbraw/zinc/20/68/11/627206811.db2.gz TULBCWBERSIBEW-WQRHYEAKSA-N 1 2 269.344 3.376 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1ccc(Cl)c(Cl)c1 ZINC000764684904 627218501 /nfs/dbraw/zinc/21/85/01/627218501.db2.gz UEVCAQRGRVEZOO-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2cc(C#N)ncn2)cc1 ZINC000764830055 627227351 /nfs/dbraw/zinc/22/73/51/627227351.db2.gz PQIKIPMLCFNPQH-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2cc(C#N)ncn2)cc1 ZINC000764830055 627227353 /nfs/dbraw/zinc/22/73/53/627227353.db2.gz PQIKIPMLCFNPQH-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc(C#N)c2)s1 ZINC000767336491 627398999 /nfs/dbraw/zinc/39/89/99/627398999.db2.gz OLFPJOILZFANTD-UHFFFAOYSA-N 1 2 299.403 3.307 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1F ZINC000768878768 627506015 /nfs/dbraw/zinc/50/60/15/627506015.db2.gz REJSJXGVYRDFOJ-CYBMUJFWSA-N 1 2 277.387 3.263 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1F ZINC000768878768 627506017 /nfs/dbraw/zinc/50/60/17/627506017.db2.gz REJSJXGVYRDFOJ-CYBMUJFWSA-N 1 2 277.387 3.263 20 30 CGEDLO Fc1ccc(NN=Cc2cccc3[nH+]ccn32)c(F)c1 ZINC000771095752 627682350 /nfs/dbraw/zinc/68/23/50/627682350.db2.gz DHLOPSHTJRFWJM-UHFFFAOYSA-N 1 2 272.258 3.059 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCc2cc3ccccc3[nH]2)c1O ZINC000771098152 627682391 /nfs/dbraw/zinc/68/23/91/627682391.db2.gz MLGBNGOULDWULY-WOJGMQOQSA-N 1 2 280.327 3.241 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000775972902 628153883 /nfs/dbraw/zinc/15/38/83/628153883.db2.gz QRWUYOSEUZIWKA-UHFFFAOYSA-N 1 2 290.725 3.346 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000776104786 628167674 /nfs/dbraw/zinc/16/76/74/628167674.db2.gz KXGMNNFDDRRZIZ-JKSUJKDBSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000776104786 628167679 /nfs/dbraw/zinc/16/76/79/628167679.db2.gz KXGMNNFDDRRZIZ-JKSUJKDBSA-N 1 2 291.366 3.298 20 30 CGEDLO C[C@H]([NH2+]Cc1cscn1)c1ccc(C#N)c(F)c1 ZINC000776735373 628229143 /nfs/dbraw/zinc/22/91/43/628229143.db2.gz QNIHXFOMJFVJQY-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=C)Cl ZINC000778169521 628330301 /nfs/dbraw/zinc/33/03/01/628330301.db2.gz VROYEYCKJOIPIA-UHFFFAOYSA-N 1 2 270.159 3.194 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC[C@@H]1CCOC1 ZINC000783686375 628739765 /nfs/dbraw/zinc/73/97/65/628739765.db2.gz ZSIRIAWAQGDPQB-NCUBORBFSA-N 1 2 269.344 3.391 20 30 CGEDLO COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@](C)(C#N)C1 ZINC000784203785 628794804 /nfs/dbraw/zinc/79/48/04/628794804.db2.gz FACBVTSFRCTAGL-KRWDZBQOSA-N 1 2 281.359 3.373 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000785877579 628892956 /nfs/dbraw/zinc/89/29/56/628892956.db2.gz VMUYPARZYJUTON-ZDUSSCGKSA-N 1 2 288.395 3.028 20 30 CGEDLO COc1cc(N[NH+]=C(C)c2csc(N)n2)ccc1Cl ZINC000788472587 629057335 /nfs/dbraw/zinc/05/73/35/629057335.db2.gz XGMHHACVXUGCFP-UHFFFAOYSA-N 1 2 296.783 3.223 20 30 CGEDLO C=CCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791359707 629269843 /nfs/dbraw/zinc/26/98/43/629269843.db2.gz MBKFXQBZXVKECT-UHFFFAOYSA-N 1 2 270.332 3.190 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(Br)n1 ZINC000794527892 629550727 /nfs/dbraw/zinc/55/07/27/629550727.db2.gz KJQYUNJHDLSDAZ-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)n1 ZINC000794527892 629550729 /nfs/dbraw/zinc/55/07/29/629550729.db2.gz KJQYUNJHDLSDAZ-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccccc2)s1 ZINC000794690099 629567743 /nfs/dbraw/zinc/56/77/43/629567743.db2.gz FWGYYBPZDOIPTH-HJWRWDBZSA-N 1 2 272.373 3.101 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)o1 ZINC000794696569 629567975 /nfs/dbraw/zinc/56/79/75/629567975.db2.gz HCLGEGSLORYTQS-ALCCZGGFSA-N 1 2 276.361 3.002 20 30 CGEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCC2)CC1 ZINC000796515026 629793518 /nfs/dbraw/zinc/79/35/18/629793518.db2.gz WFQSUPBDLBAHJE-MRXNPFEDSA-N 1 2 298.386 3.038 20 30 CGEDLO C#CC[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1 ZINC000796633453 629808365 /nfs/dbraw/zinc/80/83/65/629808365.db2.gz USLVWNPYODPFIF-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO C#CC[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1 ZINC000796633453 629808368 /nfs/dbraw/zinc/80/83/68/629808368.db2.gz USLVWNPYODPFIF-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2nccc3sccc32)cn1C ZINC000800810510 630300598 /nfs/dbraw/zinc/30/05/98/630300598.db2.gz PYADLPOZMIHWIH-UHFFFAOYSA-N 1 2 285.376 3.174 20 30 CGEDLO C=C(C)C[N@H+](C)CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000802739155 630407143 /nfs/dbraw/zinc/40/71/43/630407143.db2.gz XCACWZSQTCQEJJ-UHFFFAOYSA-N 1 2 298.308 3.127 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000802739155 630407147 /nfs/dbraw/zinc/40/71/47/630407147.db2.gz XCACWZSQTCQEJJ-UHFFFAOYSA-N 1 2 298.308 3.127 20 30 CGEDLO CCCCCCCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000808755041 630675156 /nfs/dbraw/zinc/67/51/56/630675156.db2.gz BHRIFLKNIRCNOF-UHFFFAOYSA-N 1 2 280.416 3.050 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1Cc2ccncc2C1 ZINC000809564701 630751022 /nfs/dbraw/zinc/75/10/22/630751022.db2.gz DKRUSVLEGNVUPW-UHFFFAOYSA-N 1 2 277.371 3.399 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1Cc2ccncc2C1 ZINC000809564701 630751023 /nfs/dbraw/zinc/75/10/23/630751023.db2.gz DKRUSVLEGNVUPW-UHFFFAOYSA-N 1 2 277.371 3.399 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989760 630824794 /nfs/dbraw/zinc/82/47/94/630824794.db2.gz FXKFPNOACCWLEX-QMMMGPOBSA-N 1 2 287.146 3.355 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989760 630824801 /nfs/dbraw/zinc/82/48/01/630824801.db2.gz FXKFPNOACCWLEX-QMMMGPOBSA-N 1 2 287.146 3.355 20 30 CGEDLO C[C@H](C#N)CN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811645364 631096185 /nfs/dbraw/zinc/09/61/85/631096185.db2.gz JNFWUYBOVSBBTA-SECBINFHSA-N 1 2 299.205 3.143 20 30 CGEDLO C=CCN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811650277 631098442 /nfs/dbraw/zinc/09/84/42/631098442.db2.gz TYVMQSGYAQJNBF-UHFFFAOYSA-N 1 2 272.179 3.169 20 30 CGEDLO CC(C)OCCO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000812240595 631230189 /nfs/dbraw/zinc/23/01/89/631230189.db2.gz OOFWBQRJJNTMOS-UHFFFAOYSA-N 1 2 294.370 3.201 20 30 CGEDLO CCC(=[NH+]Nc1ccc(C#N)cc1)c1cccc(N)c1 ZINC000814802865 631642680 /nfs/dbraw/zinc/64/26/80/631642680.db2.gz BFNGPKWVJAFBLC-UHFFFAOYSA-N 1 2 264.332 3.367 20 30 CGEDLO COC(=O)c1ccc(N[NH2+]C=CC(F)(F)F)cc1Cl ZINC000817326876 632121194 /nfs/dbraw/zinc/12/11/94/632121194.db2.gz XJEKTOAZWBAKIL-UHFFFAOYSA-N 1 2 294.660 3.477 20 30 CGEDLO COc1ccc(N[NH+]=C2CCCCc3ccc(N)cc32)nc1 ZINC000817327343 632122335 /nfs/dbraw/zinc/12/23/35/632122335.db2.gz GIXNJPPBUUGBMF-UHFFFAOYSA-N 1 2 296.374 3.215 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ncccc1C ZINC000820652092 632660362 /nfs/dbraw/zinc/66/03/62/632660362.db2.gz NKSGEGCAMRMVQQ-UHFFFAOYSA-N 1 2 281.359 3.189 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(C#N)c1O ZINC000866304948 633073407 /nfs/dbraw/zinc/07/34/07/633073407.db2.gz CDOQYJSHYNRILB-SNVBAGLBSA-N 1 2 299.399 3.449 20 30 CGEDLO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866361507 633100977 /nfs/dbraw/zinc/10/09/77/633100977.db2.gz OHPRXNCTMDVYCL-ZIAGYGMSSA-N 1 2 289.423 3.035 20 30 CGEDLO COCC1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866375481 633110763 /nfs/dbraw/zinc/11/07/63/633110763.db2.gz OBRVCSZINBHCEI-OPFPJEHXSA-N 1 2 288.391 3.120 20 30 CGEDLO CSCC1(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866386562 633115872 /nfs/dbraw/zinc/11/58/72/633115872.db2.gz GXQBVPDVTQBEAN-LBPRGKRZSA-N 1 2 290.432 3.448 20 30 CGEDLO CO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C1CCCC1 ZINC000866391789 633119499 /nfs/dbraw/zinc/11/94/99/633119499.db2.gz PTFYBOJMYOOIIV-WBMJQRKESA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(F)F ZINC000824510327 633251376 /nfs/dbraw/zinc/25/13/76/633251376.db2.gz UYWPDTJPUZWYCZ-CQSZACIVSA-N 1 2 281.350 3.170 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCCC1 ZINC000826691006 633426553 /nfs/dbraw/zinc/42/65/53/633426553.db2.gz WTSQJDMEPWFHSR-QGZVFWFLSA-N 1 2 298.430 3.426 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCCC1 ZINC000826691006 633426557 /nfs/dbraw/zinc/42/65/57/633426557.db2.gz WTSQJDMEPWFHSR-QGZVFWFLSA-N 1 2 298.430 3.426 20 30 CGEDLO C=CCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000827146853 633464331 /nfs/dbraw/zinc/46/43/31/633464331.db2.gz KHKKIGIXFHGXQX-UHFFFAOYSA-N 1 2 299.773 3.400 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)Cc2ccccc21 ZINC000827726183 633513330 /nfs/dbraw/zinc/51/33/30/633513330.db2.gz UHVBDEXJKVWBIX-ZDUSSCGKSA-N 1 2 263.344 3.073 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)Cc2ccccc21 ZINC000827726183 633513331 /nfs/dbraw/zinc/51/33/31/633513331.db2.gz UHVBDEXJKVWBIX-ZDUSSCGKSA-N 1 2 263.344 3.073 20 30 CGEDLO C=C(Br)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000124257820 634211201 /nfs/dbraw/zinc/21/12/01/634211201.db2.gz WTZQLBGFONHWOM-UHFFFAOYSA-N 1 2 280.087 3.102 20 30 CGEDLO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000834902500 634279069 /nfs/dbraw/zinc/27/90/69/634279069.db2.gz BOXXWSXWGWZAOY-RISCZKNCSA-N 1 2 283.799 3.413 20 30 CGEDLO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(N)cc1Cl ZINC000834998405 634305823 /nfs/dbraw/zinc/30/58/23/634305823.db2.gz UEQRWEQJUQQYRO-ZETCQYMHSA-N 1 2 279.693 3.187 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876690395 634882171 /nfs/dbraw/zinc/88/21/71/634882171.db2.gz KIQSZKGXUWNXBV-VIFPVBQESA-N 1 2 263.728 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876690395 634882173 /nfs/dbraw/zinc/88/21/73/634882173.db2.gz KIQSZKGXUWNXBV-VIFPVBQESA-N 1 2 263.728 3.215 20 30 CGEDLO Cc1cc([NH2+]C2CCC(C#N)CC2)ccc1N1CCOCC1 ZINC000877195280 635011655 /nfs/dbraw/zinc/01/16/55/635011655.db2.gz GDKYOHHXOZESNH-UHFFFAOYSA-N 1 2 299.418 3.326 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2csc(C)c2C)n1 ZINC000877484575 635054854 /nfs/dbraw/zinc/05/48/54/635054854.db2.gz JGHMVUIBUHPTSV-UHFFFAOYSA-N 1 2 287.432 3.217 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2csc(C)c2C)n1 ZINC000877484575 635054867 /nfs/dbraw/zinc/05/48/67/635054867.db2.gz JGHMVUIBUHPTSV-UHFFFAOYSA-N 1 2 287.432 3.217 20 30 CGEDLO C[C@H]1CCC[C@@H](C2C[NH+](Cc3nc(C#N)cs3)C2)C1 ZINC000877764010 635191707 /nfs/dbraw/zinc/19/17/07/635191707.db2.gz QRUDCAXFBFTESK-NWDGAFQWSA-N 1 2 275.421 3.273 20 30 CGEDLO C[C@@H]1CCC[C@H](C2C[NH+](Cc3nc(C#N)cs3)C2)C1 ZINC000877764009 635191844 /nfs/dbraw/zinc/19/18/44/635191844.db2.gz QRUDCAXFBFTESK-NEPJUHHUSA-N 1 2 275.421 3.273 20 30 CGEDLO C#CCCCCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000877980353 635304520 /nfs/dbraw/zinc/30/45/20/635304520.db2.gz JKLMAGHQUIJLIX-CQSZACIVSA-N 1 2 275.396 3.353 20 30 CGEDLO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000877980353 635304526 /nfs/dbraw/zinc/30/45/26/635304526.db2.gz JKLMAGHQUIJLIX-CQSZACIVSA-N 1 2 275.396 3.353 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1[N+](=O)[O-] ZINC000879310976 635753337 /nfs/dbraw/zinc/75/33/37/635753337.db2.gz ZZJADKKHZCNNBH-ZIAGYGMSSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1[N+](=O)[O-] ZINC000879310976 635753341 /nfs/dbraw/zinc/75/33/41/635753341.db2.gz ZZJADKKHZCNNBH-ZIAGYGMSSA-N 1 2 273.336 3.027 20 30 CGEDLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328246 635760544 /nfs/dbraw/zinc/76/05/44/635760544.db2.gz ZEFBYWXUXWVFGP-IAQYHMDHSA-N 1 2 278.783 3.211 20 30 CGEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328246 635760547 /nfs/dbraw/zinc/76/05/47/635760547.db2.gz ZEFBYWXUXWVFGP-IAQYHMDHSA-N 1 2 278.783 3.211 20 30 CGEDLO C#CCOc1ccc([C@H](C)Nc2cc(COC)cc[nH+]2)cc1 ZINC000846213909 636160116 /nfs/dbraw/zinc/16/01/16/636160116.db2.gz WDBCIUOWHSWOPI-AWEZNQCLSA-N 1 2 296.370 3.413 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC000846994399 636304052 /nfs/dbraw/zinc/30/40/52/636304052.db2.gz QUQGWODYHLSZLL-VIFPVBQESA-N 1 2 258.152 3.170 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000129563340 636308363 /nfs/dbraw/zinc/30/83/63/636308363.db2.gz DQSWMKCOVGWREG-LBPRGKRZSA-N 1 2 296.370 3.016 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000129563340 636308368 /nfs/dbraw/zinc/30/83/68/636308368.db2.gz DQSWMKCOVGWREG-LBPRGKRZSA-N 1 2 296.370 3.016 20 30 CGEDLO CC(C)c1c[nH]c(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000883073545 636530206 /nfs/dbraw/zinc/53/02/06/636530206.db2.gz TYQJAZTWCGARGU-UHFFFAOYSA-N 1 2 280.375 3.184 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C/c1cccc(O)c1O ZINC000849170525 636761754 /nfs/dbraw/zinc/76/17/54/636761754.db2.gz QIAGDQVVFFDGLF-LICLKQGHSA-N 1 2 279.380 3.094 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C\c1ccccc1O ZINC000849170285 636761779 /nfs/dbraw/zinc/76/17/79/636761779.db2.gz NJGMPSIKRSOXQS-BOPFTXTBSA-N 1 2 263.381 3.388 20 30 CGEDLO C#CC[NH2+][C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000085280580 636772295 /nfs/dbraw/zinc/77/22/95/636772295.db2.gz MPNJNBFNAZKMPA-SFHVURJKSA-N 1 2 299.345 3.155 20 30 CGEDLO C=CCCCC(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399626 637383548 /nfs/dbraw/zinc/38/35/48/637383548.db2.gz CLYCWZUXJWWSBL-UHFFFAOYSA-N 1 2 288.391 3.198 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000852102769 637597076 /nfs/dbraw/zinc/59/70/76/637597076.db2.gz PMSNFNAPJQSUFP-SJCJKPOMSA-N 1 2 299.374 3.198 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCCCF)C1 ZINC000852333758 637636454 /nfs/dbraw/zinc/63/64/54/637636454.db2.gz UOMPZISEYJNAEM-INIZCTEOSA-N 1 2 275.371 3.079 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCCCF)C1 ZINC000852333758 637636456 /nfs/dbraw/zinc/63/64/56/637636456.db2.gz UOMPZISEYJNAEM-INIZCTEOSA-N 1 2 275.371 3.079 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H]2CC(C)(C)CO2)c1 ZINC000887269925 637786729 /nfs/dbraw/zinc/78/67/29/637786729.db2.gz DIZJBLQFBKTQJH-NGWPFTMJSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)CC(C)(C)C ZINC000853347358 637820142 /nfs/dbraw/zinc/82/01/42/637820142.db2.gz VCJYEPBGWBZNOB-CQSZACIVSA-N 1 2 290.407 3.083 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1CC[C@@H](C(C)C)C1=O ZINC000853489360 637854402 /nfs/dbraw/zinc/85/44/02/637854402.db2.gz PFMQTXXFVBDLII-KRWDZBQOSA-N 1 2 286.419 3.137 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC[C@@H](C(C)C)C1=O ZINC000853489360 637854406 /nfs/dbraw/zinc/85/44/06/637854406.db2.gz PFMQTXXFVBDLII-KRWDZBQOSA-N 1 2 286.419 3.137 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn(C(C)(C)C)c1=S ZINC000853597841 637871485 /nfs/dbraw/zinc/87/14/85/637871485.db2.gz HAFDGIMHXXLNST-BETUJISGSA-N 1 2 292.452 3.310 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn(C(C)(C)C)c1=S ZINC000853597841 637871490 /nfs/dbraw/zinc/87/14/90/637871490.db2.gz HAFDGIMHXXLNST-BETUJISGSA-N 1 2 292.452 3.310 20 30 CGEDLO N#CCC1(CO[NH+]=C(N)c2cccc3ccccc32)CC1 ZINC000853662923 637885596 /nfs/dbraw/zinc/88/55/96/637885596.db2.gz OMYOALKHEALHQZ-UHFFFAOYSA-N 1 2 279.343 3.380 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCS[C@@H]1C ZINC000853710796 637898724 /nfs/dbraw/zinc/89/87/24/637898724.db2.gz ZPBIVEOJEMSRFA-OLZOCXBDSA-N 1 2 276.405 3.180 20 30 CGEDLO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1cccc(C#N)c1O ZINC000924617214 638376947 /nfs/dbraw/zinc/37/69/47/638376947.db2.gz YELVYHFERZYNPB-CYBMUJFWSA-N 1 2 287.388 3.270 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cncc(C)c1)c1cccc(C#N)c1O ZINC000925644400 638555218 /nfs/dbraw/zinc/55/52/18/638555218.db2.gz JHGHDUKFXCLHRL-MRXNPFEDSA-N 1 2 281.359 3.208 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925928865 638657520 /nfs/dbraw/zinc/65/75/20/638657520.db2.gz FVXHANPERPQTGC-YPMHNXCESA-N 1 2 280.318 3.492 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000858380397 638697917 /nfs/dbraw/zinc/69/79/17/638697917.db2.gz ZISXKHIKHRQSMS-CYBMUJFWSA-N 1 2 287.363 3.321 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+]CC(F)(F)CC)cc1 ZINC000858506358 638748872 /nfs/dbraw/zinc/74/88/72/638748872.db2.gz ATPGFKJDTLYKGF-GFCCVEGCSA-N 1 2 267.319 3.395 20 30 CGEDLO CCc1nc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)co1 ZINC000926536527 638782447 /nfs/dbraw/zinc/78/24/47/638782447.db2.gz NLEFNQUEGVQDKT-CQSZACIVSA-N 1 2 285.347 3.055 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H](C2CC2)O1 ZINC000930268903 638987592 /nfs/dbraw/zinc/98/75/92/638987592.db2.gz FCKGFFXZFVRSAW-MEDUHNTESA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H](C2CC2)O1 ZINC000930268903 638987593 /nfs/dbraw/zinc/98/75/93/638987593.db2.gz FCKGFFXZFVRSAW-MEDUHNTESA-N 1 2 290.794 3.211 20 30 CGEDLO C#CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116327172 639021432 /nfs/dbraw/zinc/02/14/32/639021432.db2.gz RYFHYFTXWHAIHQ-ZDUSSCGKSA-N 1 2 251.782 3.063 20 30 CGEDLO C#CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000116327172 639021435 /nfs/dbraw/zinc/02/14/35/639021435.db2.gz RYFHYFTXWHAIHQ-ZDUSSCGKSA-N 1 2 251.782 3.063 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccco2)n1)C(C)C ZINC000932391978 639324927 /nfs/dbraw/zinc/32/49/27/639324927.db2.gz VEORDVADYWCGAL-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccco2)n1)C(C)C ZINC000932391978 639324933 /nfs/dbraw/zinc/32/49/33/639324933.db2.gz VEORDVADYWCGAL-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774168 639489710 /nfs/dbraw/zinc/48/97/10/639489710.db2.gz LPYFNKWUQSUIBG-UHFFFAOYSA-N 1 2 297.383 3.132 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774168 639489714 /nfs/dbraw/zinc/48/97/14/639489714.db2.gz LPYFNKWUQSUIBG-UHFFFAOYSA-N 1 2 297.383 3.132 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016311397 640994063 /nfs/dbraw/zinc/99/40/63/640994063.db2.gz SKMGLLKVGJFBKS-GOEBONIOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016311397 640994067 /nfs/dbraw/zinc/99/40/67/640994067.db2.gz SKMGLLKVGJFBKS-GOEBONIOSA-N 1 2 296.842 3.066 20 30 CGEDLO CC1(C)C[C@H](CNc2[nH+]ccc3ccc(C#N)cc32)O1 ZINC001157663256 805848700 /nfs/dbraw/zinc/84/87/00/805848700.db2.gz SYVOAOOUDSRGNH-CYBMUJFWSA-N 1 2 267.332 3.086 20 30 CGEDLO C#C[C@@](C)(CC)Nc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001158738942 805994285 /nfs/dbraw/zinc/99/42/85/805994285.db2.gz YLUGPFYWRGYNTG-KRWDZBQOSA-N 1 2 284.359 3.466 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252124205 806010882 /nfs/dbraw/zinc/01/08/82/806010882.db2.gz POYQPIQQAAFYBZ-KKUMJFAQSA-N 1 2 277.399 3.480 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252124205 806010889 /nfs/dbraw/zinc/01/08/89/806010889.db2.gz POYQPIQQAAFYBZ-KKUMJFAQSA-N 1 2 277.399 3.480 20 30 CGEDLO CC(C)(S)CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001159266722 806070072 /nfs/dbraw/zinc/07/00/72/806070072.db2.gz QTKCTESHBUZBJB-UHFFFAOYSA-N 1 2 257.362 3.227 20 30 CGEDLO C=CCC[C@@H](O)CNc1cc(C)[nH+]c2sccc21 ZINC001252593970 806079164 /nfs/dbraw/zinc/07/91/64/806079164.db2.gz PXQHGZBKUPYBLL-LLVKDONJSA-N 1 2 262.378 3.344 20 30 CGEDLO CCSc1cc[nH+]c(NCc2cncc(C#N)c2)c1 ZINC001160995938 806334872 /nfs/dbraw/zinc/33/48/72/806334872.db2.gz XFXXKCOOGOTNLC-UHFFFAOYSA-N 1 2 270.361 3.072 20 30 CGEDLO CC[C@@](C)(C#N)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254292828 806380756 /nfs/dbraw/zinc/38/07/56/806380756.db2.gz JMRXLWRWEVKDDI-CJNGLKHVSA-N 1 2 295.427 3.058 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC001254654595 806475378 /nfs/dbraw/zinc/47/53/78/806475378.db2.gz WHAJNXMHZDCWLI-HOTGVXAUSA-N 1 2 253.349 3.095 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC001254654595 806475381 /nfs/dbraw/zinc/47/53/81/806475381.db2.gz WHAJNXMHZDCWLI-HOTGVXAUSA-N 1 2 253.349 3.095 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\C[C@@H]1CCCOC1 ZINC000126977893 799010927 /nfs/dbraw/zinc/01/09/27/799010927.db2.gz OPVMBGFGGCFSNP-FHNWIRHTSA-N 1 2 269.344 3.391 20 30 CGEDLO Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001255787420 806750617 /nfs/dbraw/zinc/75/06/17/806750617.db2.gz KGZGFESZXVWBBI-CJNGLKHVSA-N 1 2 287.428 3.200 20 30 CGEDLO Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001255787420 806750622 /nfs/dbraw/zinc/75/06/22/806750622.db2.gz KGZGFESZXVWBBI-CJNGLKHVSA-N 1 2 287.428 3.200 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cscc1C ZINC001027813913 800819764 /nfs/dbraw/zinc/81/97/64/800819764.db2.gz DRBYBFGRLBCTFF-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cscc1C ZINC001027813913 800819769 /nfs/dbraw/zinc/81/97/69/800819769.db2.gz DRBYBFGRLBCTFF-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028317771 800840779 /nfs/dbraw/zinc/84/07/79/800840779.db2.gz JKTYURYOCSCNNL-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028317771 800840781 /nfs/dbraw/zinc/84/07/81/800840781.db2.gz JKTYURYOCSCNNL-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032954489 800946436 /nfs/dbraw/zinc/94/64/36/800946436.db2.gz XDCFVVTYGLTODU-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032954489 800946438 /nfs/dbraw/zinc/94/64/38/800946438.db2.gz XDCFVVTYGLTODU-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310328 800959682 /nfs/dbraw/zinc/95/96/82/800959682.db2.gz RWMFJSMSABVBNI-CQSZACIVSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310328 800959685 /nfs/dbraw/zinc/95/96/85/800959685.db2.gz RWMFJSMSABVBNI-CQSZACIVSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001043361540 801219668 /nfs/dbraw/zinc/21/96/68/801219668.db2.gz KALRZLQWVLHDOX-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071798554 801551844 /nfs/dbraw/zinc/55/18/44/801551844.db2.gz AAJFKSCCUWRMDO-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071798554 801551848 /nfs/dbraw/zinc/55/18/48/801551848.db2.gz AAJFKSCCUWRMDO-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccc(F)cc1)C(=O)OCC ZINC001116775656 802409039 /nfs/dbraw/zinc/40/90/39/802409039.db2.gz POGZFASGIFLYET-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO N#Cc1cc(F)c(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201292099 811808461 /nfs/dbraw/zinc/80/84/61/811808461.db2.gz JMUDTTXKDVJQHN-UHFFFAOYSA-N 1 2 262.675 3.072 20 30 CGEDLO CO[C@@H]1CC=C(c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)CC1 ZINC001243806815 803022279 /nfs/dbraw/zinc/02/22/79/803022279.db2.gz LHEPZHJCMDMECJ-PUMYGXPMSA-N 1 2 283.375 3.362 20 30 CGEDLO CCCCCCc1csc(CN2CC[NH2+]C[C@@H]2C#N)c1 ZINC001210196499 814333444 /nfs/dbraw/zinc/33/34/44/814333444.db2.gz OBJLKABNWUBZRI-HNNXBMFYSA-N 1 2 291.464 3.168 20 30 CGEDLO C=C(C)CN(CC)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001135873498 803617716 /nfs/dbraw/zinc/61/77/16/803617716.db2.gz OHARXGQZTFVCHR-UHFFFAOYSA-N 1 2 295.386 3.285 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985354 803668165 /nfs/dbraw/zinc/66/81/65/803668165.db2.gz CUFUKFNMKHEJRH-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985354 803668168 /nfs/dbraw/zinc/66/81/68/803668168.db2.gz CUFUKFNMKHEJRH-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2F)CC1 ZINC001137873755 803791985 /nfs/dbraw/zinc/79/19/85/803791985.db2.gz SVIMUXDOENFMNC-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2F)CC1 ZINC001137873755 803791989 /nfs/dbraw/zinc/79/19/89/803791989.db2.gz SVIMUXDOENFMNC-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO Cc1cc(-c2cc(C#N)c3ccccc3n2)c[nH+]c1N ZINC001245538389 803796219 /nfs/dbraw/zinc/79/62/19/803796219.db2.gz NKSMUOKSYNQRDE-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO COc1c(F)cc(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC001138425343 803929437 /nfs/dbraw/zinc/92/94/37/803929437.db2.gz OUYDWAVQIZKFPY-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO C#CCOc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC001138558073 803969088 /nfs/dbraw/zinc/96/90/88/803969088.db2.gz ZHCOASDLUQUFTD-UHFFFAOYSA-N 1 2 293.366 3.223 20 30 CGEDLO C#CCOc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC001138558073 803969091 /nfs/dbraw/zinc/96/90/91/803969091.db2.gz ZHCOASDLUQUFTD-UHFFFAOYSA-N 1 2 293.366 3.223 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001138661940 803994918 /nfs/dbraw/zinc/99/49/18/803994918.db2.gz JLNCSRZYMIWZME-IYBDPMFKSA-N 1 2 273.376 3.005 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001138661940 803994924 /nfs/dbraw/zinc/99/49/24/803994924.db2.gz JLNCSRZYMIWZME-IYBDPMFKSA-N 1 2 273.376 3.005 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cnc2[nH]ccc2c1 ZINC001138739399 804024795 /nfs/dbraw/zinc/02/47/95/804024795.db2.gz QYBJXOCTCWYOBC-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cnc2[nH]ccc2c1 ZINC001138739399 804024805 /nfs/dbraw/zinc/02/48/05/804024805.db2.gz QYBJXOCTCWYOBC-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO C#Cc1cc(Nc2cccc(OCC(F)(F)F)c2)cc[nH+]1 ZINC001212164357 814987745 /nfs/dbraw/zinc/98/77/45/814987745.db2.gz LGCZVYRAWFTABM-UHFFFAOYSA-N 1 2 292.260 3.170 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139082347 804125265 /nfs/dbraw/zinc/12/52/65/804125265.db2.gz NKNPWZPPDJWNQS-KRWDZBQOSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139082347 804125270 /nfs/dbraw/zinc/12/52/70/804125270.db2.gz NKNPWZPPDJWNQS-KRWDZBQOSA-N 1 2 294.358 3.004 20 30 CGEDLO N#Cc1cccc2c(C[N@@H+]3CCC(F)(F)[C@H](F)C3)c[nH]c21 ZINC001139701429 804257967 /nfs/dbraw/zinc/25/79/67/804257967.db2.gz HRRRONWYVDFRGJ-CYBMUJFWSA-N 1 2 293.292 3.219 20 30 CGEDLO N#Cc1cccc2c(C[N@H+]3CCC(F)(F)[C@H](F)C3)c[nH]c21 ZINC001139701429 804257973 /nfs/dbraw/zinc/25/79/73/804257973.db2.gz HRRRONWYVDFRGJ-CYBMUJFWSA-N 1 2 293.292 3.219 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(-c3ccc(F)cc3)s2)C1 ZINC001140093035 804374378 /nfs/dbraw/zinc/37/43/78/804374378.db2.gz SICIGNCSUXHPKX-UHFFFAOYSA-N 1 2 287.363 3.295 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432111 804432213 /nfs/dbraw/zinc/43/22/13/804432213.db2.gz VWVSYEGJTAPCNS-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432111 804432217 /nfs/dbraw/zinc/43/22/17/804432217.db2.gz VWVSYEGJTAPCNS-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO CCCCc1[nH]c(CN(CCC#N)Cc2cccnc2)c[nH+]1 ZINC001141067767 804581902 /nfs/dbraw/zinc/58/19/02/804581902.db2.gz NIWXVWKVPIEWHN-UHFFFAOYSA-N 1 2 297.406 3.063 20 30 CGEDLO CCCCc1[nH]cc(CN(CCC#N)Cc2cccnc2)[nH+]1 ZINC001141067767 804581905 /nfs/dbraw/zinc/58/19/05/804581905.db2.gz NIWXVWKVPIEWHN-UHFFFAOYSA-N 1 2 297.406 3.063 20 30 CGEDLO CSc1nc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1C#N ZINC001141931812 804680906 /nfs/dbraw/zinc/68/09/06/804680906.db2.gz MMVCLQDUOFPPSO-JTQLQIEISA-N 1 2 297.374 3.152 20 30 CGEDLO CSc1nc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1C#N ZINC001141931812 804680909 /nfs/dbraw/zinc/68/09/09/804680909.db2.gz MMVCLQDUOFPPSO-JTQLQIEISA-N 1 2 297.374 3.152 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001143495474 804858319 /nfs/dbraw/zinc/85/83/19/804858319.db2.gz LHNGXIDQJNESRZ-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143495474 804858324 /nfs/dbraw/zinc/85/83/24/804858324.db2.gz LHNGXIDQJNESRZ-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257022113 807029432 /nfs/dbraw/zinc/02/94/32/807029432.db2.gz GGCBRRWZNCZNCW-IGEOTXOUSA-N 1 2 267.376 3.428 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257022113 807029441 /nfs/dbraw/zinc/02/94/41/807029441.db2.gz GGCBRRWZNCZNCW-IGEOTXOUSA-N 1 2 267.376 3.428 20 30 CGEDLO C=CC[C@H](C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001144021911 804924876 /nfs/dbraw/zinc/92/48/76/804924876.db2.gz VDFXZKILOFDPBY-ZDUSSCGKSA-N 1 2 269.348 3.082 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CCCCCC(C)(C)C)CC1 ZINC001144683880 805033718 /nfs/dbraw/zinc/03/37/18/805033718.db2.gz SUBUXGGTVBUKHU-UHFFFAOYSA-N 1 2 280.456 3.313 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001144754046 805052705 /nfs/dbraw/zinc/05/27/05/805052705.db2.gz BUDXEPWBRFOCME-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001144754046 805052714 /nfs/dbraw/zinc/05/27/14/805052714.db2.gz BUDXEPWBRFOCME-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)nc1C ZINC001249028523 805076498 /nfs/dbraw/zinc/07/64/98/805076498.db2.gz LRVGPVXJWISPMN-UHFFFAOYSA-N 1 2 277.799 3.478 20 30 CGEDLO C#Cc1cc(Nc2cc(OC)c(Cl)c(F)c2F)cc[nH+]1 ZINC001250263181 805531035 /nfs/dbraw/zinc/53/10/35/805531035.db2.gz UMOSZPSYFPSHLM-UHFFFAOYSA-N 1 2 294.688 3.169 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCCCC1 ZINC001257449456 807162035 /nfs/dbraw/zinc/16/20/35/807162035.db2.gz AZOQQFVZYBSCLM-KRWDZBQOSA-N 1 2 287.403 3.249 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cccc2c1OC(F)(F)O2 ZINC001167458195 807194195 /nfs/dbraw/zinc/19/41/95/807194195.db2.gz RXBSSUPDDXQFAA-UHFFFAOYSA-N 1 2 296.317 3.380 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc2c1OC(F)(F)O2 ZINC001167458195 807194199 /nfs/dbraw/zinc/19/41/99/807194199.db2.gz RXBSSUPDDXQFAA-UHFFFAOYSA-N 1 2 296.317 3.380 20 30 CGEDLO CC(C)OC1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001257871763 807233016 /nfs/dbraw/zinc/23/30/16/807233016.db2.gz DTQXJEYGZMROLZ-YMAMQOFZSA-N 1 2 252.402 3.250 20 30 CGEDLO CC(C)OC1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001257883256 807236408 /nfs/dbraw/zinc/23/64/08/807236408.db2.gz UPEZHTLYDYLEIQ-SLTAFYQDSA-N 1 2 250.386 3.101 20 30 CGEDLO CC(C)OC1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001257883256 807236410 /nfs/dbraw/zinc/23/64/10/807236410.db2.gz UPEZHTLYDYLEIQ-SLTAFYQDSA-N 1 2 250.386 3.101 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001258025873 807268779 /nfs/dbraw/zinc/26/87/79/807268779.db2.gz ZNNSKZRXRYPXGY-YMAMQOFZSA-N 1 2 280.412 3.026 20 30 CGEDLO N#CCc1ccc[nH+]c1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168065252 807304366 /nfs/dbraw/zinc/30/43/66/807304366.db2.gz YXVUUCMYNAQPTE-SWLSCSKDSA-N 1 2 285.297 3.394 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168309629 807379174 /nfs/dbraw/zinc/37/91/74/807379174.db2.gz NMTFCZWTXGAMEE-QWHCGFSZSA-N 1 2 282.721 3.299 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168309629 807379182 /nfs/dbraw/zinc/37/91/82/807379182.db2.gz NMTFCZWTXGAMEE-QWHCGFSZSA-N 1 2 282.721 3.299 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@](C)(Cc1ccccc1)C(=O)OC ZINC001258721798 807569810 /nfs/dbraw/zinc/56/98/10/807569810.db2.gz GDUQDPLYBYZLQS-RHSMWYFYSA-N 1 2 275.392 3.105 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCC#Cc3ccccc3)c2)CC1 ZINC001170427314 807839874 /nfs/dbraw/zinc/83/98/74/807839874.db2.gz MGPQXBRSPNBHKC-UHFFFAOYSA-N 1 2 273.339 3.100 20 30 CGEDLO Fc1ccc(NCC#Cc2ccccc2)cc1-n1cc[nH+]c1 ZINC001170429717 807841110 /nfs/dbraw/zinc/84/11/10/807841110.db2.gz UEKQQTCQDBLEOB-UHFFFAOYSA-N 1 2 291.329 3.475 20 30 CGEDLO N#C[C@H]1CC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049653 807972396 /nfs/dbraw/zinc/97/23/96/807972396.db2.gz KVOFDWYHBKVXFG-YPMHNXCESA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049653 807972398 /nfs/dbraw/zinc/97/23/98/807972398.db2.gz KVOFDWYHBKVXFG-YPMHNXCESA-N 1 2 260.768 3.043 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CC[C@@H](C#N)C1)CC2 ZINC001171322106 808026917 /nfs/dbraw/zinc/02/69/17/808026917.db2.gz RZOZKXLXCJABAQ-RYUDHWBXSA-N 1 2 290.794 3.051 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CC[C@@H](C#N)C1)CC2 ZINC001171322106 808026920 /nfs/dbraw/zinc/02/69/20/808026920.db2.gz RZOZKXLXCJABAQ-RYUDHWBXSA-N 1 2 290.794 3.051 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171946338 808157569 /nfs/dbraw/zinc/15/75/69/808157569.db2.gz NJSMHTZNOTVXSQ-AVVWSFFYSA-N 1 2 280.412 3.170 20 30 CGEDLO CCCCCCC[C@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172357901 808252888 /nfs/dbraw/zinc/25/28/88/808252888.db2.gz MRQQZTCGVHDKPR-HOCLYGCPSA-N 1 2 285.428 3.047 20 30 CGEDLO CCCCCCCC[C@@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172504389 808361256 /nfs/dbraw/zinc/36/12/56/808361256.db2.gz FGCJPAXTISLBGK-NVXWUHKLSA-N 1 2 299.455 3.437 20 30 CGEDLO COc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1C#N ZINC001213031730 815205807 /nfs/dbraw/zinc/20/58/07/815205807.db2.gz OOJIFXBXHRXGOM-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267539469 808443041 /nfs/dbraw/zinc/44/30/41/808443041.db2.gz HKPXTERPSDCKPQ-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267539469 808443044 /nfs/dbraw/zinc/44/30/44/808443044.db2.gz HKPXTERPSDCKPQ-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C[C@H](Cc1c(F)cccc1Cl)[N@H+](C)CCC#N ZINC001172849841 808461687 /nfs/dbraw/zinc/46/16/87/808461687.db2.gz QHXQWLLYNRVKIV-SNVBAGLBSA-N 1 2 254.736 3.256 20 30 CGEDLO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)CCC#N ZINC001172849841 808461688 /nfs/dbraw/zinc/46/16/88/808461688.db2.gz QHXQWLLYNRVKIV-SNVBAGLBSA-N 1 2 254.736 3.256 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001269073477 808645297 /nfs/dbraw/zinc/64/52/97/808645297.db2.gz UUNYTTMNDPOSIV-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001269073477 808645301 /nfs/dbraw/zinc/64/53/01/808645301.db2.gz UUNYTTMNDPOSIV-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO Cc1ccnc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213087805 815229979 /nfs/dbraw/zinc/22/99/79/815229979.db2.gz AZXSKIXOKNJWKA-UHFFFAOYSA-N 1 2 275.315 3.395 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(CCC)CCC1 ZINC001272086993 808795747 /nfs/dbraw/zinc/79/57/47/808795747.db2.gz JMXXWVQSIAEZDE-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(CCC)CCC1 ZINC001272086993 808795755 /nfs/dbraw/zinc/79/57/55/808795755.db2.gz JMXXWVQSIAEZDE-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001275721353 808960372 /nfs/dbraw/zinc/96/03/72/808960372.db2.gz SXCCMBNGWSRNOD-VQCLRJIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001275721353 808960376 /nfs/dbraw/zinc/96/03/76/808960376.db2.gz SXCCMBNGWSRNOD-VQCLRJIVSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(N)c1 ZINC001213349958 815268729 /nfs/dbraw/zinc/26/87/29/815268729.db2.gz ZISOYYWSIWZXBA-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC001175350414 809372195 /nfs/dbraw/zinc/37/21/95/809372195.db2.gz JLJZPBDLYFZTMW-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO N#Cc1ccc(F)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351651 809374511 /nfs/dbraw/zinc/37/45/11/809374511.db2.gz KRXMGUSLIIHVDZ-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO N#Cc1ccsc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175710098 809516483 /nfs/dbraw/zinc/51/64/83/809516483.db2.gz SYFBPNNPWVLDNO-UHFFFAOYSA-N 1 2 284.266 3.359 20 30 CGEDLO COC(=O)c1scc(C#N)c1Nc1c[nH+]cc(C)c1C ZINC001213525446 815299058 /nfs/dbraw/zinc/29/90/58/815299058.db2.gz XHJJXQNDXQWCBG-UHFFFAOYSA-N 1 2 287.344 3.162 20 30 CGEDLO Cc1c[nH+]cc(Nc2cc(Cl)cnc2C#N)c1C ZINC001213528596 815299988 /nfs/dbraw/zinc/29/99/88/815299988.db2.gz HSHAITQMKRTLSG-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO C=CCOC(=O)c1ccccc1Nc1c[nH+]ccc1OC ZINC001176123714 809629007 /nfs/dbraw/zinc/62/90/07/809629007.db2.gz DOHZZXIMSLZIEP-UHFFFAOYSA-N 1 2 284.315 3.177 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(F)c(CC#N)c1 ZINC001176125190 809630384 /nfs/dbraw/zinc/63/03/84/809630384.db2.gz ZQHNINHWKMPGJB-UHFFFAOYSA-N 1 2 257.268 3.039 20 30 CGEDLO CC(C)n1ncc(C#N)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749330 809757921 /nfs/dbraw/zinc/75/79/21/809757921.db2.gz DASNBACTPJQMMA-UHFFFAOYSA-N 1 2 296.378 3.074 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1snc(OC)c1Cl ZINC001180437158 810001181 /nfs/dbraw/zinc/00/11/81/810001181.db2.gz ARPPILSVYPVUTQ-UHFFFAOYSA-N 1 2 260.790 3.203 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1snc(OC)c1Cl ZINC001180437158 810001184 /nfs/dbraw/zinc/00/11/84/810001184.db2.gz ARPPILSVYPVUTQ-UHFFFAOYSA-N 1 2 260.790 3.203 20 30 CGEDLO CCCCCCC[C@H](C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001181122642 810039018 /nfs/dbraw/zinc/03/90/18/810039018.db2.gz NAMSNQVIVAANAL-HNNXBMFYSA-N 1 2 291.439 3.264 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1cccc(C)c1)C(=O)OC ZINC001183326944 810145113 /nfs/dbraw/zinc/14/51/13/810145113.db2.gz ZHYOHFMOMJBRCG-ZBFHGGJFSA-N 1 2 275.392 3.023 20 30 CGEDLO C=CC[C@@H](NC(=O)CCc1ccc(N)[nH+]c1)c1ccccc1 ZINC001183938907 810171243 /nfs/dbraw/zinc/17/12/43/810171243.db2.gz DTGSANOYPCTXIH-MRXNPFEDSA-N 1 2 295.386 3.030 20 30 CGEDLO C=C1CC(C)(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184784009 810219077 /nfs/dbraw/zinc/21/90/77/810219077.db2.gz WCRQJVYEHZRJTD-UHFFFAOYSA-N 1 2 295.386 3.187 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3ccnc(C#N)c3)cc2)CC1 ZINC001185458883 810266732 /nfs/dbraw/zinc/26/67/32/810266732.db2.gz ANYRVZUWOALNFR-UHFFFAOYSA-N 1 2 292.386 3.355 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CC2CCC1CC2 ZINC001195876188 811298206 /nfs/dbraw/zinc/29/82/06/811298206.db2.gz HDHHHOHXYQOJFN-GPANFISMSA-N 1 2 291.435 3.090 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CC2CCC1CC2 ZINC001195876188 811298213 /nfs/dbraw/zinc/29/82/13/811298213.db2.gz HDHHHOHXYQOJFN-GPANFISMSA-N 1 2 291.435 3.090 20 30 CGEDLO Cc1cc(NC=Cc2ccc(C#N)cc2)nc(C)[nH+]1 ZINC001203299569 812301071 /nfs/dbraw/zinc/30/10/71/812301071.db2.gz QGTBVSLRUVOXEK-BQYQJAHWSA-N 1 2 250.305 3.048 20 30 CGEDLO CNc1ccc(Nc2cc(F)cc(F)c2C#N)c[nH+]1 ZINC001203462477 812369457 /nfs/dbraw/zinc/36/94/57/812369457.db2.gz UCJOYHFWYCFCSZ-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(C#N)c(F)c2)c[nH+]1 ZINC001203462668 812369753 /nfs/dbraw/zinc/36/97/53/812369753.db2.gz YMVOTCVOGRSTOQ-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO COc1cc(C#N)c(F)cc1Nc1cc(C)c[nH+]c1C ZINC001203667972 812424430 /nfs/dbraw/zinc/42/44/30/812424430.db2.gz RVGGSZXTCCMYEN-UHFFFAOYSA-N 1 2 271.295 3.461 20 30 CGEDLO N#Cc1cccc(F)c1Nc1ccn2cc[nH+]c2c1 ZINC001204978670 812807903 /nfs/dbraw/zinc/80/79/03/812807903.db2.gz YRGVPJFVZWUFEL-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(C)cc1C#N ZINC001242593509 823050882 /nfs/dbraw/zinc/05/08/82/823050882.db2.gz SIJAZDBQJZITBH-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cn1nccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001206342806 813296249 /nfs/dbraw/zinc/29/62/49/813296249.db2.gz OIRJEFWGROETRC-UHFFFAOYSA-N 1 2 274.412 3.249 20 30 CGEDLO Cn1nccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001206342806 813296253 /nfs/dbraw/zinc/29/62/53/813296253.db2.gz OIRJEFWGROETRC-UHFFFAOYSA-N 1 2 274.412 3.249 20 30 CGEDLO C=C(C)CO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001206750450 813420059 /nfs/dbraw/zinc/42/00/59/813420059.db2.gz INLQXFJTYXIENT-LLVKDONJSA-N 1 2 286.828 3.354 20 30 CGEDLO C=C(C)CO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001206750450 813420064 /nfs/dbraw/zinc/42/00/64/813420064.db2.gz INLQXFJTYXIENT-LLVKDONJSA-N 1 2 286.828 3.354 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2ccncc2F)CC1 ZINC001206783355 813436483 /nfs/dbraw/zinc/43/64/83/813436483.db2.gz FFLDTCBTEBUGFO-UHFFFAOYSA-N 1 2 295.361 3.278 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)on2)CC1 ZINC001206835476 813449003 /nfs/dbraw/zinc/44/90/03/813449003.db2.gz VYJNUZMOTJSIDV-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314321 813540041 /nfs/dbraw/zinc/54/00/41/813540041.db2.gz VDPPSCBRGIBWQP-AWEZNQCLSA-N 1 2 295.427 3.012 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314321 813540047 /nfs/dbraw/zinc/54/00/47/813540047.db2.gz VDPPSCBRGIBWQP-AWEZNQCLSA-N 1 2 295.427 3.012 20 30 CGEDLO CC(C)(O)CCCC1=CC[C@@H](C[NH+]2CC(C#N)C2)CC1 ZINC001207401199 813556950 /nfs/dbraw/zinc/55/69/50/813556950.db2.gz FAEHLXDZWPFBDP-OAHLLOKOSA-N 1 2 276.424 3.109 20 30 CGEDLO N#Cc1ccccc1OC1C[NH+](CCc2ccc(F)cc2)C1 ZINC001207517850 813583166 /nfs/dbraw/zinc/58/31/66/813583166.db2.gz GUMBMACFXWLUPR-UHFFFAOYSA-N 1 2 296.345 3.003 20 30 CGEDLO C[C@H](C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903665 813667069 /nfs/dbraw/zinc/66/70/69/813667069.db2.gz PPNVLAHCRKJWIN-DOMZBBRYSA-N 1 2 273.401 3.064 20 30 CGEDLO C[C@H](C[N@H+]1CC[C@@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903665 813667072 /nfs/dbraw/zinc/66/70/72/813667072.db2.gz PPNVLAHCRKJWIN-DOMZBBRYSA-N 1 2 273.401 3.064 20 30 CGEDLO COCOCCC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209028132 813919799 /nfs/dbraw/zinc/91/97/99/813919799.db2.gz NCFVNIFQDXEMDJ-UHFFFAOYSA-N 1 2 296.798 3.066 20 30 CGEDLO COCOCCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209028132 813919801 /nfs/dbraw/zinc/91/98/01/813919801.db2.gz NCFVNIFQDXEMDJ-UHFFFAOYSA-N 1 2 296.798 3.066 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(Cl)cc1C ZINC001209637311 814104586 /nfs/dbraw/zinc/10/45/86/814104586.db2.gz XAWFCBBWEOVLMN-UHFFFAOYSA-N 1 2 251.761 3.169 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(Cl)cc1C ZINC001209637311 814104590 /nfs/dbraw/zinc/10/45/90/814104590.db2.gz XAWFCBBWEOVLMN-UHFFFAOYSA-N 1 2 251.761 3.169 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(Cl)cc2F)C1 ZINC001209665673 814111506 /nfs/dbraw/zinc/11/15/06/814111506.db2.gz ANYQYDXTPVMRPH-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)c(Cl)cc2F)C1 ZINC001209665673 814111511 /nfs/dbraw/zinc/11/15/11/814111511.db2.gz ANYQYDXTPVMRPH-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO Cc1cc(Nc2cc(C#N)cnc2C)ccc1[NH+](C)C ZINC001210042940 814260057 /nfs/dbraw/zinc/26/00/57/814260057.db2.gz PQMHXNHLVWYCIF-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO C=CC[C@H](OCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC001210224553 814353496 /nfs/dbraw/zinc/35/34/96/814353496.db2.gz ASKJIEOESNQDDY-INIZCTEOSA-N 1 2 295.810 3.306 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2cccc(-c3c[nH+]cn3C)c2)C1 ZINC001242744082 823120060 /nfs/dbraw/zinc/12/00/60/823120060.db2.gz HQWUTIMAWVTVRH-GFCCVEGCSA-N 1 2 266.344 3.470 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cc(C#N)ccc1C ZINC001210501024 814492488 /nfs/dbraw/zinc/49/24/88/814492488.db2.gz JZBOKIUYOHQFDI-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO Cc1cc(-c2ccc(Cn3cc[nH+]c3)cn2)ccc1C#N ZINC001242766449 823126619 /nfs/dbraw/zinc/12/66/19/823126619.db2.gz FHXRNIIDFFZHFG-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO COc1cc(Nc2cc(F)c(F)cc2C#N)cc(C)[nH+]1 ZINC001210780400 814625503 /nfs/dbraw/zinc/62/55/03/814625503.db2.gz IURUIBQUPGJDEO-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO C=CCCCCCCCCCO[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001217822902 815970758 /nfs/dbraw/zinc/97/07/58/815970758.db2.gz ZQZMCXAHVFVQEJ-HOTGVXAUSA-N 1 2 297.439 3.213 20 30 CGEDLO Cc1cc(C#N)cc(C)c1-c1c[nH+]c2c(c1)CCCN2 ZINC001222672286 816495093 /nfs/dbraw/zinc/49/50/93/816495093.db2.gz IFHPTTIYTWXJRX-UHFFFAOYSA-N 1 2 263.344 3.238 20 30 CGEDLO C[N@H+](CCC#N)Cc1c[nH]c2c1cccc2Br ZINC001232016272 818234491 /nfs/dbraw/zinc/23/44/91/818234491.db2.gz LALASZFZDJPVHK-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO C[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2Br ZINC001232016272 818234499 /nfs/dbraw/zinc/23/44/99/818234499.db2.gz LALASZFZDJPVHK-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2C3CCCC2CCC3)c1 ZINC001232678351 818417560 /nfs/dbraw/zinc/41/75/60/818417560.db2.gz WDQQTIDLNJGNDP-UHFFFAOYSA-N 1 2 256.349 3.171 20 30 CGEDLO C[N@H+](CC/C=C/c1cccnc1)Cc1cc(C#N)ccc1O ZINC001232677955 818417807 /nfs/dbraw/zinc/41/78/07/818417807.db2.gz MHTZJZBQZMAEFP-GORDUTHDSA-N 1 2 293.370 3.194 20 30 CGEDLO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(C#N)ccc1O ZINC001232677955 818417809 /nfs/dbraw/zinc/41/78/09/818417809.db2.gz MHTZJZBQZMAEFP-GORDUTHDSA-N 1 2 293.370 3.194 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235121586 819011864 /nfs/dbraw/zinc/01/18/64/819011864.db2.gz NFVXCXQGBWUYLL-HNNXBMFYSA-N 1 2 279.343 3.219 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235121586 819011870 /nfs/dbraw/zinc/01/18/70/819011870.db2.gz NFVXCXQGBWUYLL-HNNXBMFYSA-N 1 2 279.343 3.219 20 30 CGEDLO N#CCc1ccccc1C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001235530933 819115608 /nfs/dbraw/zinc/11/56/08/819115608.db2.gz XYHBZIBNVZAHQN-UHFFFAOYSA-N 1 2 296.345 3.155 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ncc1Cl ZINC001238419201 819989968 /nfs/dbraw/zinc/98/99/68/819989968.db2.gz VYMSKYJSBKIYRC-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ncc1Cl ZINC001238419201 819989974 /nfs/dbraw/zinc/98/99/74/819989974.db2.gz VYMSKYJSBKIYRC-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Br)cnc1OC(C)C ZINC001238439683 819999543 /nfs/dbraw/zinc/99/95/43/819999543.db2.gz DDUZZISBXRIDBG-UHFFFAOYSA-N 1 2 299.212 3.249 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Br)cnc1OC(C)C ZINC001238439683 819999550 /nfs/dbraw/zinc/99/95/50/819999550.db2.gz DDUZZISBXRIDBG-UHFFFAOYSA-N 1 2 299.212 3.249 20 30 CGEDLO Cc1cnc(-c2ccccc2)c(C[N@H+](C)CCC#N)c1 ZINC001238618071 820063297 /nfs/dbraw/zinc/06/32/97/820063297.db2.gz GOYSIQUJBIIWDL-UHFFFAOYSA-N 1 2 265.360 3.403 20 30 CGEDLO Cc1cnc(-c2ccccc2)c(C[N@@H+](C)CCC#N)c1 ZINC001238618071 820063303 /nfs/dbraw/zinc/06/33/03/820063303.db2.gz GOYSIQUJBIIWDL-UHFFFAOYSA-N 1 2 265.360 3.403 20 30 CGEDLO Cc1cc(-c2ccccc2OCC#N)cn2cc[nH+]c12 ZINC001243584785 823456017 /nfs/dbraw/zinc/45/60/17/823456017.db2.gz SJONJKSDPIJRLV-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO CCCCCCCCOC(=O)N[C@H]1C[NH2+]CC(F)(F)C1 ZINC001239320496 820267445 /nfs/dbraw/zinc/26/74/45/820267445.db2.gz DJNBMPGTTSTJCL-GFCCVEGCSA-N 1 2 292.370 3.070 20 30 CGEDLO Cc1cc(C#N)c(-c2ccc(Cn3cc[nH+]c3)cc2)nc1C ZINC001243655989 823475774 /nfs/dbraw/zinc/47/57/74/823475774.db2.gz FLSPCNFUTNKVMX-UHFFFAOYSA-N 1 2 288.354 3.482 20 30 CGEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)nc2ccccc12 ZINC001240216942 820888191 /nfs/dbraw/zinc/88/81/91/820888191.db2.gz TZGSWMXKAHZDLI-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1c[nH]c2ccc(-c3ccc4[nH+]ccn4c3)cc12 ZINC001240219194 820895255 /nfs/dbraw/zinc/89/52/55/820895255.db2.gz FEIVLRHYIDDHOZ-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#CCc1ccc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001240509158 821104100 /nfs/dbraw/zinc/10/41/00/821104100.db2.gz TWNOKRMKBZHUFD-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1ccc2c(c1)nccc2-c1ccn2cc[nH+]c2c1 ZINC001240508666 821104312 /nfs/dbraw/zinc/10/43/12/821104312.db2.gz HXPWFXVYTLUBRG-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(O)c2)cc1C#N ZINC001240927522 821421415 /nfs/dbraw/zinc/42/14/15/821421415.db2.gz PZGBZXOQKJCCTG-WOJGMQOQSA-N 1 2 265.316 3.152 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C2(C#N)CC2)cn1 ZINC001241233140 821658329 /nfs/dbraw/zinc/65/83/29/821658329.db2.gz FQNJDMIESFEFOG-UHFFFAOYSA-N 1 2 278.359 3.073 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(F)c1C#N ZINC001241242998 821664574 /nfs/dbraw/zinc/66/45/74/821664574.db2.gz CEYFYDWYKDAMCV-UHFFFAOYSA-N 1 2 255.296 3.134 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1nc2ccccc2c(C)c1C#N ZINC001242078540 822337002 /nfs/dbraw/zinc/33/70/02/822337002.db2.gz KXGPOKQHDKKPMP-UHFFFAOYSA-N 1 2 274.327 3.368 20 30 CGEDLO Cc1cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cnc1C#N ZINC001242357146 822964738 /nfs/dbraw/zinc/96/47/38/822964738.db2.gz IIPAYAOHGGVIOH-UHFFFAOYSA-N 1 2 278.290 3.254 20 30 CGEDLO Cc1cccc(CCCNc2cc(C#N)cc(Cl)n2)[nH+]1 ZINC001339711787 936382827 /nfs/dbraw/zinc/38/28/27/936382827.db2.gz PGUQNVXXDBUQIP-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO C=CCCC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccccc1 ZINC001340970335 936421689 /nfs/dbraw/zinc/42/16/89/936421689.db2.gz ZLVHMWBXTIVEDV-UONOGXRCSA-N 1 2 296.361 3.183 20 30 CGEDLO C=CCC1(COC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001345970519 936831583 /nfs/dbraw/zinc/83/15/83/936831583.db2.gz YVBSKRUEIIWIOH-CYBMUJFWSA-N 1 2 262.353 3.124 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+](CC(=C)Cl)CC1 ZINC001486512788 928028729 /nfs/dbraw/zinc/02/87/29/928028729.db2.gz ALRCWQQZEDELHS-AWEZNQCLSA-N 1 2 296.842 3.090 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](CC(=C)Cl)CC1 ZINC001486512788 928028741 /nfs/dbraw/zinc/02/87/41/928028741.db2.gz ALRCWQQZEDELHS-AWEZNQCLSA-N 1 2 296.842 3.090 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc2[nH+]ccn21 ZINC001435150589 937253519 /nfs/dbraw/zinc/25/35/19/937253519.db2.gz SFZBCNDXFSKEEX-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@@H](OCCCC)C1(C)C)C(=O)OC ZINC001308902551 928552494 /nfs/dbraw/zinc/55/24/94/928552494.db2.gz RABWBJFHYAZGIA-SOUVJXGZSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001443310389 937347087 /nfs/dbraw/zinc/34/70/87/937347087.db2.gz JNALEOLBKIWXGN-UHFFFAOYSA-N 1 2 255.321 3.085 20 30 CGEDLO C#CC[C@H]1CC[N@@H+](CC(F)(F)c2ccc(F)cc2)C1 ZINC001460757894 937543472 /nfs/dbraw/zinc/54/34/72/937543472.db2.gz KEZYNHAYRWWWAD-LBPRGKRZSA-N 1 2 267.294 3.263 20 30 CGEDLO C#CC[C@H]1CC[N@H+](CC(F)(F)c2ccc(F)cc2)C1 ZINC001460757894 937543474 /nfs/dbraw/zinc/54/34/74/937543474.db2.gz KEZYNHAYRWWWAD-LBPRGKRZSA-N 1 2 267.294 3.263 20 30 CGEDLO CSc1cc(Nc2cc(C#N)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001211328508 932012217 /nfs/dbraw/zinc/01/22/17/932012217.db2.gz HNDIVECKGXTWFS-UHFFFAOYSA-N 1 2 286.316 3.327 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1OC ZINC001462214247 937625777 /nfs/dbraw/zinc/62/57/77/937625777.db2.gz HIZFIXYCOGDFQA-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1OC ZINC001462214247 937625778 /nfs/dbraw/zinc/62/57/78/937625778.db2.gz HIZFIXYCOGDFQA-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cc(C)cc(C)c2)CC1 ZINC001308133858 933054516 /nfs/dbraw/zinc/05/45/16/933054516.db2.gz BUSLIPGBQKJSBO-QGZVFWFLSA-N 1 2 287.403 3.210 20 30 CGEDLO C=C1CCC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001462675103 937659032 /nfs/dbraw/zinc/65/90/32/937659032.db2.gz OYCCJVGEKVAFEE-UHFFFAOYSA-N 1 2 283.375 3.119 20 30 CGEDLO C#Cc1ccc(NCc2c[nH+]cn2CC)c(Cl)c1 ZINC001308537848 933127289 /nfs/dbraw/zinc/12/72/89/933127289.db2.gz DTQNSGUHLWPMHY-UHFFFAOYSA-N 1 2 259.740 3.150 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2Cl)CCOCC1 ZINC001308549188 933129075 /nfs/dbraw/zinc/12/90/75/933129075.db2.gz UEUMAYVVKJZKNR-UHFFFAOYSA-N 1 2 299.201 3.403 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001308636254 933148053 /nfs/dbraw/zinc/14/80/53/933148053.db2.gz ZHZJGRVZVNOLMD-OAHLLOKOSA-N 1 2 271.389 3.422 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001308636254 933148056 /nfs/dbraw/zinc/14/80/56/933148056.db2.gz ZHZJGRVZVNOLMD-OAHLLOKOSA-N 1 2 271.389 3.422 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)CCC1CC1)C(=O)OCC ZINC001308899794 933199546 /nfs/dbraw/zinc/19/95/46/933199546.db2.gz BWUBHDIRULNEJW-YPMHNXCESA-N 1 2 273.804 3.229 20 30 CGEDLO CCCCCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001464026743 937684568 /nfs/dbraw/zinc/68/45/68/937684568.db2.gz LTBQBDQODDLPDS-UHFFFAOYSA-N 1 2 265.401 3.127 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC001321236211 934166268 /nfs/dbraw/zinc/16/62/68/934166268.db2.gz RFRIFHKHXPPHMZ-GFCCVEGCSA-N 1 2 280.441 3.068 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC001321236211 934166271 /nfs/dbraw/zinc/16/62/71/934166271.db2.gz RFRIFHKHXPPHMZ-GFCCVEGCSA-N 1 2 280.441 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@](C)(F)CCCC ZINC001322191579 934256504 /nfs/dbraw/zinc/25/65/04/934256504.db2.gz CBAOCGHVRUPFQZ-OCCSQVGLSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@](C)(F)CCCC ZINC001322191579 934256508 /nfs/dbraw/zinc/25/65/08/934256508.db2.gz CBAOCGHVRUPFQZ-OCCSQVGLSA-N 1 2 292.826 3.094 20 30 CGEDLO COc1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)nc1 ZINC001325943290 934940857 /nfs/dbraw/zinc/94/08/57/934940857.db2.gz HWVDUMZOQHRUAV-UHFFFAOYSA-N 1 2 296.374 3.136 20 30 CGEDLO CC(C)COC[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccco1 ZINC001334765715 936111792 /nfs/dbraw/zinc/11/17/92/936111792.db2.gz ATEODHVBQUNGTE-INIZCTEOSA-N 1 2 299.374 3.050 20 30 CGEDLO CC[C@@H]([NH2+]C/C=C\C1CC1)c1cccc(C#N)c1O ZINC001335282716 936136321 /nfs/dbraw/zinc/13/63/21/936136321.db2.gz XALYTOTZYIWSNB-FOSCPCJNSA-N 1 2 256.349 3.271 20 30 CGEDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc(F)cc2C#N)[nH+]c1C ZINC001473791101 937822390 /nfs/dbraw/zinc/82/23/90/937822390.db2.gz WKOJRZSURXMACU-MRXNPFEDSA-N 1 2 298.365 3.374 20 30 CGEDLO C[C@@H]1CCC(F)(F)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC001473879105 937826785 /nfs/dbraw/zinc/82/67/85/937826785.db2.gz DQLQXVCXIIPLHJ-CYBMUJFWSA-N 1 2 286.366 3.207 20 30 CGEDLO C[C@@H]1CCC(F)(F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC001473879105 937826786 /nfs/dbraw/zinc/82/67/86/937826786.db2.gz DQLQXVCXIIPLHJ-CYBMUJFWSA-N 1 2 286.366 3.207 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC001474250611 937846354 /nfs/dbraw/zinc/84/63/54/937846354.db2.gz FJMKECHEWPYVBB-CQSZACIVSA-N 1 2 281.359 3.052 20 30 CGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC#Cc1ccccc1 ZINC001474483142 937862424 /nfs/dbraw/zinc/86/24/24/937862424.db2.gz BFRDOKHDSGOMHX-IBGZPJMESA-N 1 2 299.414 3.236 20 30 CGEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC#Cc1ccccc1 ZINC001474483142 937862426 /nfs/dbraw/zinc/86/24/26/937862426.db2.gz BFRDOKHDSGOMHX-IBGZPJMESA-N 1 2 299.414 3.236 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001505882520 937987797 /nfs/dbraw/zinc/98/77/97/937987797.db2.gz USUMHTPQICTLRG-DGCLKSJQSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001505882520 937987798 /nfs/dbraw/zinc/98/77/98/937987798.db2.gz USUMHTPQICTLRG-DGCLKSJQSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001505896921 937987783 /nfs/dbraw/zinc/98/77/83/937987783.db2.gz MYKHBPRJYQQKLP-GFCCVEGCSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001505896921 937987784 /nfs/dbraw/zinc/98/77/84/937987784.db2.gz MYKHBPRJYQQKLP-GFCCVEGCSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001505996582 937988671 /nfs/dbraw/zinc/98/86/71/937988671.db2.gz JLITWDZZKNCNKC-OLZOCXBDSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001505996582 937988672 /nfs/dbraw/zinc/98/86/72/937988672.db2.gz JLITWDZZKNCNKC-OLZOCXBDSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CC[N@H+](Cc1nc(Br)cs1)C(C)C ZINC001560652637 938268032 /nfs/dbraw/zinc/26/80/32/938268032.db2.gz FKQZQGJSWVKSTC-UHFFFAOYSA-N 1 2 275.215 3.302 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Br)cs1)C(C)C ZINC001560652637 938268035 /nfs/dbraw/zinc/26/80/35/938268035.db2.gz FKQZQGJSWVKSTC-UHFFFAOYSA-N 1 2 275.215 3.302 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OC ZINC001560967327 938286649 /nfs/dbraw/zinc/28/66/49/938286649.db2.gz DPSFRDKLGGKEOG-HOCLYGCPSA-N 1 2 275.392 3.023 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)C(CC)CC ZINC001568488434 961598531 /nfs/dbraw/zinc/59/85/31/961598531.db2.gz ZXLHMYLFFPABTB-CYBMUJFWSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)C(CC)CC ZINC001568488434 961598544 /nfs/dbraw/zinc/59/85/44/961598544.db2.gz ZXLHMYLFFPABTB-CYBMUJFWSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000589998577 346820822 /nfs/dbraw/zinc/82/08/22/346820822.db2.gz IHHYXYSNWQTHBE-INIZCTEOSA-N 1 2 291.366 3.041 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1csnn1)c1ccc(C#N)cc1 ZINC000414294768 529668313 /nfs/dbraw/zinc/66/83/13/529668313.db2.gz DUUOENQCIAPKBH-MFKMUULPSA-N 1 2 272.377 3.212 20 30 CGEDLO CCc1nnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000591852962 346942721 /nfs/dbraw/zinc/94/27/21/346942721.db2.gz BPLGOUBFLURHGB-LLVKDONJSA-N 1 2 286.404 3.165 20 30 CGEDLO CCc1nnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000591852962 346942725 /nfs/dbraw/zinc/94/27/25/346942725.db2.gz BPLGOUBFLURHGB-LLVKDONJSA-N 1 2 286.404 3.165 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+]CC(C)(C)CCC#N)cc1 ZINC000592376198 346980158 /nfs/dbraw/zinc/98/01/58/346980158.db2.gz YGUXRULYIRWVMU-UHFFFAOYSA-N 1 2 283.379 3.318 20 30 CGEDLO COc1cc(-c2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC000592986512 347024027 /nfs/dbraw/zinc/02/40/27/347024027.db2.gz ILWZPMODCXNURR-UHFFFAOYSA-N 1 2 279.343 3.229 20 30 CGEDLO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122383 347042978 /nfs/dbraw/zinc/04/29/78/347042978.db2.gz QINGSTSVSARHBW-KSSFIOAISA-N 1 2 284.403 3.469 20 30 CGEDLO C[C@H]1CCCC[C@@H]1OCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122383 347042981 /nfs/dbraw/zinc/04/29/81/347042981.db2.gz QINGSTSVSARHBW-KSSFIOAISA-N 1 2 284.403 3.469 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCC2(C#N)CCCC2)c(C)[nH+]1 ZINC000593218152 347052422 /nfs/dbraw/zinc/05/24/22/347052422.db2.gz MJXAYYDLSHQSKS-UHFFFAOYSA-N 1 2 286.379 3.212 20 30 CGEDLO CCn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000093872186 345891913 /nfs/dbraw/zinc/89/19/13/345891913.db2.gz ZPRXKQWBAFPHEH-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000093872186 345891919 /nfs/dbraw/zinc/89/19/19/345891919.db2.gz ZPRXKQWBAFPHEH-ROUUACIJSA-N 1 2 294.402 3.175 20 30 CGEDLO N#CCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000116480397 345978145 /nfs/dbraw/zinc/97/81/45/345978145.db2.gz KJICBAZHEXJVRC-UHFFFAOYSA-N 1 2 273.311 3.060 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)Cc1ccc(OC)cc1 ZINC000139997304 346102406 /nfs/dbraw/zinc/10/24/06/346102406.db2.gz WMDIBKGWIGBWRE-UHFFFAOYSA-N 1 2 286.375 3.488 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)Cc1ccc(OC)cc1 ZINC000139997304 346102409 /nfs/dbraw/zinc/10/24/09/346102409.db2.gz WMDIBKGWIGBWRE-UHFFFAOYSA-N 1 2 286.375 3.488 20 30 CGEDLO C=C1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000297519228 346434855 /nfs/dbraw/zinc/43/48/55/346434855.db2.gz OIMBQMVCZBFTNP-UHFFFAOYSA-N 1 2 279.767 3.279 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2cccc(C)c2)nc1C ZINC000593615289 347095287 /nfs/dbraw/zinc/09/52/87/347095287.db2.gz LWYCOARMGQYQPB-INIZCTEOSA-N 1 2 282.391 3.271 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H](CC)CO1 ZINC000593661976 347101984 /nfs/dbraw/zinc/10/19/84/347101984.db2.gz VSHKWIIVWFGDMY-RYUDHWBXSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@@H](CC)CO1 ZINC000593661976 347101989 /nfs/dbraw/zinc/10/19/89/347101989.db2.gz VSHKWIIVWFGDMY-RYUDHWBXSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000403812728 346598178 /nfs/dbraw/zinc/59/81/78/346598178.db2.gz KDEFTBPSBGOPRO-FZMZJTMJSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)CO1 ZINC000403812728 346598182 /nfs/dbraw/zinc/59/81/82/346598182.db2.gz KDEFTBPSBGOPRO-FZMZJTMJSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000403876337 346598397 /nfs/dbraw/zinc/59/83/97/346598397.db2.gz MPIICFFNUUADFG-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(C#N)c1F ZINC000403876337 346598399 /nfs/dbraw/zinc/59/83/99/346598399.db2.gz MPIICFFNUUADFG-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](CCCOCc1ccccc1)C2 ZINC000405082235 346602409 /nfs/dbraw/zinc/60/24/09/346602409.db2.gz GWRPIYKKAXKSJY-UHFFFAOYSA-N 1 2 292.382 3.481 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](CCCOCc1ccccc1)C2 ZINC000405082235 346602414 /nfs/dbraw/zinc/60/24/14/346602414.db2.gz GWRPIYKKAXKSJY-UHFFFAOYSA-N 1 2 292.382 3.481 20 30 CGEDLO N#CCCCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000588304656 346758999 /nfs/dbraw/zinc/75/89/99/346758999.db2.gz OYEVNAMIBQVPQF-UHFFFAOYSA-N 1 2 282.347 3.285 20 30 CGEDLO N#Cc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000340783561 136698794 /nfs/dbraw/zinc/69/87/94/136698794.db2.gz RBCZVEGXQVSBHI-UHFFFAOYSA-N 1 2 294.402 3.452 20 30 CGEDLO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000594935681 347234360 /nfs/dbraw/zinc/23/43/60/347234360.db2.gz BYDAKQDYKYFQME-UHFFFAOYSA-N 1 2 264.319 3.375 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccc(F)cc1F ZINC000595302220 347289483 /nfs/dbraw/zinc/28/94/83/347289483.db2.gz UAAFMYRNXNHCSW-JTQLQIEISA-N 1 2 270.348 3.148 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccc(F)cc1F ZINC000595302220 347289485 /nfs/dbraw/zinc/28/94/85/347289485.db2.gz UAAFMYRNXNHCSW-JTQLQIEISA-N 1 2 270.348 3.148 20 30 CGEDLO CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@H](C)C#N ZINC000595813511 347358954 /nfs/dbraw/zinc/35/89/54/347358954.db2.gz UTJNSYXZGRHFJI-SNVBAGLBSA-N 1 2 297.761 3.042 20 30 CGEDLO CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)[C@H](C)C#N ZINC000595813511 347358958 /nfs/dbraw/zinc/35/89/58/347358958.db2.gz UTJNSYXZGRHFJI-SNVBAGLBSA-N 1 2 297.761 3.042 20 30 CGEDLO C[C@@H](C#N)[N@H+](CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000595711357 347344984 /nfs/dbraw/zinc/34/49/84/347344984.db2.gz ZHBWYHJWSBVQAS-ZFWWWQNUSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@@H](C#N)[N@@H+](CC[C@@H]1CCc2ccccc21)C1CC1 ZINC000595711357 347344987 /nfs/dbraw/zinc/34/49/87/347344987.db2.gz ZHBWYHJWSBVQAS-ZFWWWQNUSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@@H](C#N)[N@H+](CC[C@H]1CCc2ccccc21)C1CC1 ZINC000595711354 347345110 /nfs/dbraw/zinc/34/51/10/347345110.db2.gz ZHBWYHJWSBVQAS-DZGCQCFKSA-N 1 2 254.377 3.483 20 30 CGEDLO C[C@@H](C#N)[N@@H+](CC[C@H]1CCc2ccccc21)C1CC1 ZINC000595711354 347345112 /nfs/dbraw/zinc/34/51/12/347345112.db2.gz ZHBWYHJWSBVQAS-DZGCQCFKSA-N 1 2 254.377 3.483 20 30 CGEDLO Cc1cc(N2CCC[C@@H]2C)c(C#N)c(N2CCC[C@H]2C)[nH+]1 ZINC000596145883 347389588 /nfs/dbraw/zinc/38/95/88/347389588.db2.gz ZEICQKOPCKQOGM-UONOGXRCSA-N 1 2 284.407 3.239 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccnn1CC1CC1 ZINC000596994453 347525252 /nfs/dbraw/zinc/52/52/52/347525252.db2.gz AGOKPVREVPFFHE-UHFFFAOYSA-N 1 2 274.412 3.055 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccnn1CC1CC1 ZINC000596994453 347525255 /nfs/dbraw/zinc/52/52/55/347525255.db2.gz AGOKPVREVPFFHE-UHFFFAOYSA-N 1 2 274.412 3.055 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000597025532 347528732 /nfs/dbraw/zinc/52/87/32/347528732.db2.gz BUSIBHDIUHKOQV-ROUUACIJSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000597025532 347528735 /nfs/dbraw/zinc/52/87/35/347528735.db2.gz BUSIBHDIUHKOQV-ROUUACIJSA-N 1 2 294.402 3.000 20 30 CGEDLO CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000597230911 347558434 /nfs/dbraw/zinc/55/84/34/347558434.db2.gz UUSHWDTZBRZRMQ-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO CCCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000597230911 347558440 /nfs/dbraw/zinc/55/84/40/347558440.db2.gz UUSHWDTZBRZRMQ-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO Cc1cccc2[nH]c(C[N@@H+]3CC[C@@](C)(C#N)C3)cc21 ZINC000597231856 347560113 /nfs/dbraw/zinc/56/01/13/347560113.db2.gz PFNBWRAJKWPWTM-INIZCTEOSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1cccc2[nH]c(C[N@H+]3CC[C@@](C)(C#N)C3)cc21 ZINC000597231856 347560114 /nfs/dbraw/zinc/56/01/14/347560114.db2.gz PFNBWRAJKWPWTM-INIZCTEOSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1cc(C[NH+]2CC(CC#N)C2)c(OC(F)F)cc1C ZINC000597193883 347548414 /nfs/dbraw/zinc/54/84/14/347548414.db2.gz KSPNPAGNMSPHHN-UHFFFAOYSA-N 1 2 280.318 3.250 20 30 CGEDLO Cc1cccn2c(NC(=O)C3(C#N)CCCCC3)c[nH+]c12 ZINC000598260590 347638444 /nfs/dbraw/zinc/63/84/44/347638444.db2.gz CJOAIUMEHJJJAC-UHFFFAOYSA-N 1 2 282.347 3.055 20 30 CGEDLO COc1ccc[nH+]c1N[C@@H]1CCc2cc(C#N)ccc21 ZINC000599073888 347714654 /nfs/dbraw/zinc/71/46/54/347714654.db2.gz PKYSMCQATPUKEH-CQSZACIVSA-N 1 2 265.316 3.061 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599088422 347716171 /nfs/dbraw/zinc/71/61/71/347716171.db2.gz CVGKCNHWXRCGOK-CMPLNLGQSA-N 1 2 282.303 3.247 20 30 CGEDLO Cc1nsc(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c1C#N ZINC000599102828 347717205 /nfs/dbraw/zinc/71/72/05/347717205.db2.gz VBJAGQWIOSZOPG-LBPRGKRZSA-N 1 2 284.388 3.021 20 30 CGEDLO CC(C)C[C@@H](C(=O)Nc1cccc(CC#N)c1)n1cc[nH+]c1 ZINC000602157516 347938827 /nfs/dbraw/zinc/93/88/27/347938827.db2.gz GLYIYPLHMAVADJ-INIZCTEOSA-N 1 2 296.374 3.175 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602448117 347960305 /nfs/dbraw/zinc/96/03/05/347960305.db2.gz SLLSMTCSUBNYME-JTQLQIEISA-N 1 2 275.302 3.104 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602448117 347960308 /nfs/dbraw/zinc/96/03/08/347960308.db2.gz SLLSMTCSUBNYME-JTQLQIEISA-N 1 2 275.302 3.104 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(F)c2ccccc12 ZINC000602464134 347961976 /nfs/dbraw/zinc/96/19/76/347961976.db2.gz CGYLIIGWDDZPLO-UHFFFAOYSA-N 1 2 286.350 3.341 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(F)c2ccccc12 ZINC000602464134 347961979 /nfs/dbraw/zinc/96/19/79/347961979.db2.gz CGYLIIGWDDZPLO-UHFFFAOYSA-N 1 2 286.350 3.341 20 30 CGEDLO COc1cc(C[NH2+]CC2(C#N)CCCC2)c(Cl)cc1O ZINC000602697594 348011277 /nfs/dbraw/zinc/01/12/77/348011277.db2.gz BYXOLCDWFNYSQI-UHFFFAOYSA-N 1 2 294.782 3.228 20 30 CGEDLO C[C@H](CCC#N)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000602713016 348015902 /nfs/dbraw/zinc/01/59/02/348015902.db2.gz YBQZQESHKRPIPQ-SNVBAGLBSA-N 1 2 250.292 3.220 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602717854 348016531 /nfs/dbraw/zinc/01/65/31/348016531.db2.gz IYTMGHDGFDXPOM-MRXNPFEDSA-N 1 2 287.313 3.249 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602717854 348016534 /nfs/dbraw/zinc/01/65/34/348016534.db2.gz IYTMGHDGFDXPOM-MRXNPFEDSA-N 1 2 287.313 3.249 20 30 CGEDLO C=C(C)C[C@H]([NH2+]Cc1ccc2nc(C)ccc2c1)C(=O)OC ZINC000602735171 348021774 /nfs/dbraw/zinc/02/17/74/348021774.db2.gz TWWRPRJNPTYUJS-KRWDZBQOSA-N 1 2 298.386 3.141 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3sc(Cl)cc3C2)CC1 ZINC000602850272 348036413 /nfs/dbraw/zinc/03/64/13/348036413.db2.gz DWMITXBGVLZSEW-UHFFFAOYSA-N 1 2 266.797 3.453 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3sc(Cl)cc3C2)CC1 ZINC000602850272 348036414 /nfs/dbraw/zinc/03/64/14/348036414.db2.gz DWMITXBGVLZSEW-UHFFFAOYSA-N 1 2 266.797 3.453 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Br)cc(F)c1F ZINC000602869017 348039163 /nfs/dbraw/zinc/03/91/63/348039163.db2.gz FGLDCTCWSFATCZ-ZETCQYMHSA-N 1 2 289.123 3.119 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602904385 348042705 /nfs/dbraw/zinc/04/27/05/348042705.db2.gz XIZWJZTYVBWKBE-QGZVFWFLSA-N 1 2 281.359 3.386 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000602904385 348042706 /nfs/dbraw/zinc/04/27/06/348042706.db2.gz XIZWJZTYVBWKBE-QGZVFWFLSA-N 1 2 281.359 3.386 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccco1 ZINC000602926471 348045260 /nfs/dbraw/zinc/04/52/60/348045260.db2.gz OCNZFEPWKLZCIO-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccco1 ZINC000602926471 348045261 /nfs/dbraw/zinc/04/52/61/348045261.db2.gz OCNZFEPWKLZCIO-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602975695 348048670 /nfs/dbraw/zinc/04/86/70/348048670.db2.gz GCVDFEOBOUXHAM-SJORKVTESA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C#N ZINC000602977376 348049189 /nfs/dbraw/zinc/04/91/89/348049189.db2.gz AJJALBNQNLVQHX-MFKMUULPSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C#N ZINC000602977376 348049193 /nfs/dbraw/zinc/04/91/93/348049193.db2.gz AJJALBNQNLVQHX-MFKMUULPSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@H+](Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602980523 348049939 /nfs/dbraw/zinc/04/99/39/348049939.db2.gz QVHCIOUZUZUWPE-UKRRQHHQSA-N 1 2 287.407 3.383 20 30 CGEDLO C[N@@H+](Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602980523 348049944 /nfs/dbraw/zinc/04/99/44/348049944.db2.gz QVHCIOUZUZUWPE-UKRRQHHQSA-N 1 2 287.407 3.383 20 30 CGEDLO CCC[C@H](C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000609576997 348348162 /nfs/dbraw/zinc/34/81/62/348348162.db2.gz YXUUYOLEVHMZQG-CQSZACIVSA-N 1 2 295.342 3.296 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000609486603 348345400 /nfs/dbraw/zinc/34/54/00/348345400.db2.gz NNYWHAUIWIOKAJ-YOEHRIQHSA-N 1 2 289.398 3.052 20 30 CGEDLO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012919 348361355 /nfs/dbraw/zinc/36/13/55/348361355.db2.gz LJBRJENRWKSGJH-CYBMUJFWSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012919 348361357 /nfs/dbraw/zinc/36/13/57/348361357.db2.gz LJBRJENRWKSGJH-CYBMUJFWSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[C@@H](C)Oc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000611260896 348432187 /nfs/dbraw/zinc/43/21/87/348432187.db2.gz YRFYIEVVNREUQK-UONOGXRCSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[C@@H](C)Oc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000611260896 348432191 /nfs/dbraw/zinc/43/21/91/348432191.db2.gz YRFYIEVVNREUQK-UONOGXRCSA-N 1 2 290.407 3.464 20 30 CGEDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)o1 ZINC000611262726 348433655 /nfs/dbraw/zinc/43/36/55/348433655.db2.gz IYGTVTNPTKIDDJ-GFCCVEGCSA-N 1 2 268.316 3.107 20 30 CGEDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000611262726 348433656 /nfs/dbraw/zinc/43/36/56/348433656.db2.gz IYGTVTNPTKIDDJ-GFCCVEGCSA-N 1 2 268.316 3.107 20 30 CGEDLO Cc1ccc(C#N)nc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000611398984 348446756 /nfs/dbraw/zinc/44/67/56/348446756.db2.gz TVKSMSNVTQFFPL-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406824 348517593 /nfs/dbraw/zinc/51/75/93/348517593.db2.gz VAFVPLRNKSGSKV-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406824 348517595 /nfs/dbraw/zinc/51/75/95/348517595.db2.gz VAFVPLRNKSGSKV-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000614962625 348703332 /nfs/dbraw/zinc/70/33/32/348703332.db2.gz MPPPBQXFVQSHGT-SUNKGSAMSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000614962625 348703335 /nfs/dbraw/zinc/70/33/35/348703335.db2.gz MPPPBQXFVQSHGT-SUNKGSAMSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614963960 348704343 /nfs/dbraw/zinc/70/43/43/348704343.db2.gz PFTAXOAAJOLJKL-BBRMVZONSA-N 1 2 253.349 3.245 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000614963960 348704346 /nfs/dbraw/zinc/70/43/46/348704346.db2.gz PFTAXOAAJOLJKL-BBRMVZONSA-N 1 2 253.349 3.245 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000616731796 348876613 /nfs/dbraw/zinc/87/66/13/348876613.db2.gz PCNXWJYGFYNZML-JTQLQIEISA-N 1 2 276.286 3.474 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651328 349404608 /nfs/dbraw/zinc/40/46/08/349404608.db2.gz NEXXFFWTFYLLMD-LLVKDONJSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000630775637 350885735 /nfs/dbraw/zinc/88/57/35/350885735.db2.gz JIAZLAXRFLXAFZ-UHFFFAOYSA-N 1 2 281.359 3.382 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523859 351316865 /nfs/dbraw/zinc/31/68/65/351316865.db2.gz QGJVGPRTMUVZTG-CYBMUJFWSA-N 1 2 283.375 3.295 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523561 351317210 /nfs/dbraw/zinc/31/72/10/351317210.db2.gz NNMVAIPZBUSQMR-QGZVFWFLSA-N 1 2 283.375 3.295 20 30 CGEDLO C=CCCCCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633586813 351327918 /nfs/dbraw/zinc/32/79/18/351327918.db2.gz UCYYJCXOZDAYCM-UHFFFAOYSA-N 1 2 297.402 3.277 20 30 CGEDLO FC(F)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000634754165 351584113 /nfs/dbraw/zinc/58/41/13/351584113.db2.gz WCMMVOJKQTWHBO-CQSZACIVSA-N 1 2 299.748 3.048 20 30 CGEDLO FC(F)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000634754165 351584118 /nfs/dbraw/zinc/58/41/18/351584118.db2.gz WCMMVOJKQTWHBO-CQSZACIVSA-N 1 2 299.748 3.048 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1[nH+]ccn1C(C)C ZINC000124272375 187129972 /nfs/dbraw/zinc/12/99/72/187129972.db2.gz FETDYXWXUNKANC-UHFFFAOYSA-N 1 2 254.337 3.256 20 30 CGEDLO N#Cc1cnc(Nc2ccc(Nc3ccccc3)[nH+]c2)cn1 ZINC000123435977 187091607 /nfs/dbraw/zinc/09/16/07/187091607.db2.gz VSHWLZUZEYLYIW-UHFFFAOYSA-N 1 2 288.314 3.230 20 30 CGEDLO N#C[C@H]1[N@H+](CC2CCCC2)CCC[C@@]12CCCCO2 ZINC000336551071 303171982 /nfs/dbraw/zinc/17/19/82/303171982.db2.gz HVOQUWFYVGIZIF-CVEARBPZSA-N 1 2 262.397 3.104 20 30 CGEDLO N#C[C@H]1[N@@H+](CC2CCCC2)CCC[C@@]12CCCCO2 ZINC000336551071 303171985 /nfs/dbraw/zinc/17/19/85/303171985.db2.gz HVOQUWFYVGIZIF-CVEARBPZSA-N 1 2 262.397 3.104 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000135380821 187824814 /nfs/dbraw/zinc/82/48/14/187824814.db2.gz DTFFPRFUYXJERH-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000336434362 213296100 /nfs/dbraw/zinc/29/61/00/213296100.db2.gz NAFKCSFZPDYDTQ-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000336434362 213296101 /nfs/dbraw/zinc/29/61/01/213296101.db2.gz NAFKCSFZPDYDTQ-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)s1 ZINC000273673516 192256455 /nfs/dbraw/zinc/25/64/55/192256455.db2.gz ZQAWWTKODITEIP-SNVBAGLBSA-N 1 2 291.807 3.202 20 30 CGEDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000176968232 189017376 /nfs/dbraw/zinc/01/73/76/189017376.db2.gz RTBDTJQKRNVMQY-VIFPVBQESA-N 1 2 277.418 3.489 20 30 CGEDLO C=CCN(Cc1ccc(Cl)s1)Cc1c[nH+]cn1C ZINC000177232928 189038268 /nfs/dbraw/zinc/03/82/68/189038268.db2.gz CKSSYSLKEZARFH-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO N#CC1(c2ccccc2)CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000574089370 334991577 /nfs/dbraw/zinc/99/15/77/334991577.db2.gz DWRKBQPPECGVMR-UHFFFAOYSA-N 1 2 266.348 3.226 20 30 CGEDLO C=CCC[C@@H]([NH2+]c1ccc(OCCC(N)=O)cc1)C1CC1 ZINC000179967217 189230114 /nfs/dbraw/zinc/23/01/14/189230114.db2.gz BMNSAVJEENXFMS-MRXNPFEDSA-N 1 2 288.391 3.098 20 30 CGEDLO Cc1nc(NCc2cc(C#N)ccc2F)c2c([nH+]1)CCCC2 ZINC000302087340 201337754 /nfs/dbraw/zinc/33/77/54/201337754.db2.gz KXLYGDNEOMKVPY-UHFFFAOYSA-N 1 2 296.349 3.287 20 30 CGEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120257180 370753675 /nfs/dbraw/zinc/75/36/75/370753675.db2.gz FPRZBVVTBFPYMY-AWEZNQCLSA-N 1 2 268.364 3.185 20 30 CGEDLO C=C(C)C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120257180 370753677 /nfs/dbraw/zinc/75/36/77/370753677.db2.gz FPRZBVVTBFPYMY-AWEZNQCLSA-N 1 2 268.364 3.185 20 30 CGEDLO CC#CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126059205 370942716 /nfs/dbraw/zinc/94/27/16/370942716.db2.gz MCLQQQMOHTVSPA-SFHVURJKSA-N 1 2 289.382 3.276 20 30 CGEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)oc1C ZINC000037909453 369125260 /nfs/dbraw/zinc/12/52/60/369125260.db2.gz MVLJBDROJLBPOH-LLVKDONJSA-N 1 2 255.321 3.014 20 30 CGEDLO CC1(C)CCC[N@H+](CCCc2ccncc2)[C@H]1C#N ZINC000444731932 261138882 /nfs/dbraw/zinc/13/88/82/261138882.db2.gz PGQPYVRUZGQNSF-HNNXBMFYSA-N 1 2 257.381 3.028 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCc2ccncc2)[C@H]1C#N ZINC000444731932 261138883 /nfs/dbraw/zinc/13/88/83/261138883.db2.gz PGQPYVRUZGQNSF-HNNXBMFYSA-N 1 2 257.381 3.028 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(C#N)cc1C(F)(F)F ZINC000051921996 369458630 /nfs/dbraw/zinc/45/86/30/369458630.db2.gz CEDBYHXMEBCMQB-UHFFFAOYSA-N 1 2 294.280 3.406 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127879129 370957583 /nfs/dbraw/zinc/95/75/83/370957583.db2.gz SFDQPSKWHGHXKS-GFCCVEGCSA-N 1 2 275.421 3.115 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000127879129 370957588 /nfs/dbraw/zinc/95/75/88/370957588.db2.gz SFDQPSKWHGHXKS-GFCCVEGCSA-N 1 2 275.421 3.115 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000054180962 369496861 /nfs/dbraw/zinc/49/68/61/369496861.db2.gz QPVGVTVCCUSSGH-MRVPVSSYSA-N 1 2 274.698 3.191 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091893157 370077971 /nfs/dbraw/zinc/07/79/71/370077971.db2.gz MTIGRSMFEBLWSM-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091893157 370077974 /nfs/dbraw/zinc/07/79/74/370077974.db2.gz MTIGRSMFEBLWSM-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000103138662 370320115 /nfs/dbraw/zinc/32/01/15/370320115.db2.gz QAGYGUIMCBKYCM-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000103138662 370320121 /nfs/dbraw/zinc/32/01/21/370320121.db2.gz QAGYGUIMCBKYCM-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cc1cccn2cc(CNc3ccc(F)c(C#N)c3)[nH+]c12 ZINC000102887326 370313113 /nfs/dbraw/zinc/31/31/13/370313113.db2.gz CDQHINWJKPTVSV-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000129587974 370995073 /nfs/dbraw/zinc/99/50/73/370995073.db2.gz YSOTVAPVWVUGSG-JSJZUPIVSA-N 1 2 258.321 3.220 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1Br ZINC000132285651 371163353 /nfs/dbraw/zinc/16/33/53/371163353.db2.gz MLMJOJKNANQRTL-LLVKDONJSA-N 1 2 281.197 3.492 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1Br ZINC000132285651 371163360 /nfs/dbraw/zinc/16/33/60/371163360.db2.gz MLMJOJKNANQRTL-LLVKDONJSA-N 1 2 281.197 3.492 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)c(SC)cc1OC ZINC000152633175 371711914 /nfs/dbraw/zinc/71/19/14/371711914.db2.gz RNWBHZNLQHPCJR-LLVKDONJSA-N 1 2 294.420 3.160 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)c(SC)cc1OC ZINC000152633175 371711918 /nfs/dbraw/zinc/71/19/18/371711918.db2.gz RNWBHZNLQHPCJR-LLVKDONJSA-N 1 2 294.420 3.160 20 30 CGEDLO COc1cc[nH+]cc1CSc1ccccc1C#N ZINC000344082639 217043210 /nfs/dbraw/zinc/04/32/10/217043210.db2.gz ZKPPGYHTTATNJM-UHFFFAOYSA-N 1 2 256.330 3.254 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000157652563 372030783 /nfs/dbraw/zinc/03/07/83/372030783.db2.gz UCNVVXDJWBFPSF-WFASDCNBSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000157652563 372030788 /nfs/dbraw/zinc/03/07/88/372030788.db2.gz UCNVVXDJWBFPSF-WFASDCNBSA-N 1 2 287.407 3.112 20 30 CGEDLO N#Cc1cccc(OC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000290651410 372033467 /nfs/dbraw/zinc/03/34/67/372033467.db2.gz OXEIQQPRZVGGFU-UHFFFAOYSA-N 1 2 279.343 3.001 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3cccc(F)c3C2)ccc1F ZINC000157877176 372039607 /nfs/dbraw/zinc/03/96/07/372039607.db2.gz XRQMFMQMBUEMAZ-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3cccc(F)c3C2)ccc1F ZINC000157877176 372039616 /nfs/dbraw/zinc/03/96/16/372039616.db2.gz XRQMFMQMBUEMAZ-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159788118 372179260 /nfs/dbraw/zinc/17/92/60/372179260.db2.gz KTKNPAPNAWHMPH-ZDUSSCGKSA-N 1 2 281.197 3.436 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159788118 372179264 /nfs/dbraw/zinc/17/92/64/372179264.db2.gz KTKNPAPNAWHMPH-ZDUSSCGKSA-N 1 2 281.197 3.436 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000428407728 372193458 /nfs/dbraw/zinc/19/34/58/372193458.db2.gz REMPGFJIYULUEE-ZBFHGGJFSA-N 1 2 275.392 3.462 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C(C)(C)C)no1 ZINC000237560833 189881977 /nfs/dbraw/zinc/88/19/77/189881977.db2.gz NOQCKMGUZUVMLA-VIFPVBQESA-N 1 2 290.392 3.151 20 30 CGEDLO C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@@H](C)S1 ZINC000160815792 372277628 /nfs/dbraw/zinc/27/76/28/372277628.db2.gz CAIMWABTBSYPNQ-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO COc1ccc(Br)c(C[N@H+](C)CCCC#N)c1 ZINC000429288071 372341205 /nfs/dbraw/zinc/34/12/05/372341205.db2.gz VWAZPNNDPKRLPJ-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO COc1ccc(Br)c(C[N@@H+](C)CCCC#N)c1 ZINC000429288071 372341209 /nfs/dbraw/zinc/34/12/09/372341209.db2.gz VWAZPNNDPKRLPJ-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC1(C[N@@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CCC1 ZINC000433207073 372583645 /nfs/dbraw/zinc/58/36/45/372583645.db2.gz JSCPMEPBIUESFM-GDBMZVCRSA-N 1 2 262.397 3.104 20 30 CGEDLO CC1(C[N@H+]2CCC[C@]3(CCCCO3)[C@H]2C#N)CCC1 ZINC000433207073 372583651 /nfs/dbraw/zinc/58/36/51/372583651.db2.gz JSCPMEPBIUESFM-GDBMZVCRSA-N 1 2 262.397 3.104 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295332666 372741363 /nfs/dbraw/zinc/74/13/63/372741363.db2.gz AROYLOZUILFZGX-CQSZACIVSA-N 1 2 287.407 3.098 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000295370337 372753646 /nfs/dbraw/zinc/75/36/46/372753646.db2.gz JUGMNCIOLQLUBR-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000295370337 372753648 /nfs/dbraw/zinc/75/36/48/372753648.db2.gz JUGMNCIOLQLUBR-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)ncc1F ZINC000295394851 372762850 /nfs/dbraw/zinc/76/28/50/372762850.db2.gz LOGXNZTWVNZHPQ-UHFFFAOYSA-N 1 2 278.302 3.184 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1cc(F)ncc1F ZINC000295394851 372762856 /nfs/dbraw/zinc/76/28/56/372762856.db2.gz LOGXNZTWVNZHPQ-UHFFFAOYSA-N 1 2 278.302 3.184 20 30 CGEDLO CC(C)C[C@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000437543644 372851515 /nfs/dbraw/zinc/85/15/15/372851515.db2.gz GNYIODIBQAZWDP-KRWDZBQOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)C[C@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000437543644 372851524 /nfs/dbraw/zinc/85/15/24/372851524.db2.gz GNYIODIBQAZWDP-KRWDZBQOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(C#N)cs2)s1 ZINC000344663635 217265816 /nfs/dbraw/zinc/26/58/16/217265816.db2.gz HRYAEZWTLXUMEH-UHFFFAOYSA-N 1 2 292.433 3.059 20 30 CGEDLO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C#N)cc1F ZINC000353613896 220190709 /nfs/dbraw/zinc/19/07/09/220190709.db2.gz WSXVGBBKPLFGLX-LBPRGKRZSA-N 1 2 298.365 3.009 20 30 CGEDLO C[N@@H+](Cc1cc2ccccc2o1)C[C@@H](C#N)CCC#N ZINC000175310677 373449100 /nfs/dbraw/zinc/44/91/00/373449100.db2.gz ACLXJSOSFWJWFK-CYBMUJFWSA-N 1 2 267.332 3.308 20 30 CGEDLO C[N@H+](Cc1cc2ccccc2o1)C[C@@H](C#N)CCC#N ZINC000175310677 373449108 /nfs/dbraw/zinc/44/91/08/373449108.db2.gz ACLXJSOSFWJWFK-CYBMUJFWSA-N 1 2 267.332 3.308 20 30 CGEDLO CC[N@H+](CCCNc1cccc(C#N)n1)c1ccccc1 ZINC000301265638 373719501 /nfs/dbraw/zinc/71/95/01/373719501.db2.gz HSFIEAIDZLKMHM-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[N@@H+](CCCNc1cccc(C#N)n1)c1ccccc1 ZINC000301265638 373719505 /nfs/dbraw/zinc/71/95/05/373719505.db2.gz HSFIEAIDZLKMHM-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1F ZINC000449732489 373857231 /nfs/dbraw/zinc/85/72/31/373857231.db2.gz BGGUKKDSNBWGPS-UHFFFAOYSA-N 1 2 287.363 3.321 20 30 CGEDLO Cc1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)nc1C#N ZINC000302733836 373945615 /nfs/dbraw/zinc/94/56/15/373945615.db2.gz YCUSXGQCKXDQJB-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCCCO2)c1 ZINC000182203830 374235007 /nfs/dbraw/zinc/23/50/07/374235007.db2.gz ZJKCVTASUAYQFP-IQGJIOQQSA-N 1 2 277.364 3.169 20 30 CGEDLO O=C(Nc1cccc2c1OCCC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328935071 374394896 /nfs/dbraw/zinc/39/48/96/374394896.db2.gz JBLDCHOLPSSJET-CYBMUJFWSA-N 1 2 297.358 3.059 20 30 CGEDLO COc1cccc2c1[nH+]c(NCc1ccc(C#N)cc1)n2C ZINC000184792816 374561065 /nfs/dbraw/zinc/56/10/65/374561065.db2.gz ZFBYTXILUAPOQD-UHFFFAOYSA-N 1 2 292.342 3.066 20 30 CGEDLO N#Cc1cc2c(nc1SCCCn1cc[nH+]c1)CCCC2 ZINC000185505834 374677029 /nfs/dbraw/zinc/67/70/29/374677029.db2.gz ZDHSQNGLLLWQCG-UHFFFAOYSA-N 1 2 298.415 3.211 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cnc4ccccc4c3)n2c1 ZINC000186439064 374852904 /nfs/dbraw/zinc/85/29/04/374852904.db2.gz DLCRKPWFFWUEAB-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO N#Cc1csc(C[NH+]2CC(c3ccc(Cl)cc3)C2)n1 ZINC000334617381 374909404 /nfs/dbraw/zinc/90/94/04/374909404.db2.gz AGKWELJHAOMRIK-UHFFFAOYSA-N 1 2 289.791 3.268 20 30 CGEDLO C=CCC[N@@H+](C)[C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000483988967 375184987 /nfs/dbraw/zinc/18/49/87/375184987.db2.gz UGSVYTINDZLGNL-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CCC[N@H+](C)[C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000483988967 375184994 /nfs/dbraw/zinc/18/49/94/375184994.db2.gz UGSVYTINDZLGNL-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CCC[N@@H+](C)[C@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000483988966 375185035 /nfs/dbraw/zinc/18/50/35/375185035.db2.gz UGSVYTINDZLGNL-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CCC[N@H+](C)[C@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000483988966 375185039 /nfs/dbraw/zinc/18/50/39/375185039.db2.gz UGSVYTINDZLGNL-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO CC(C)(CCC#N)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000495002222 375495293 /nfs/dbraw/zinc/49/52/93/375495293.db2.gz XEJCSUOGRPTXPK-CQSZACIVSA-N 1 2 289.427 3.346 20 30 CGEDLO Cn1cc(C[NH+](Cc2ccco2)Cc2ccco2)cc1C#N ZINC000191182843 375590830 /nfs/dbraw/zinc/59/08/30/375590830.db2.gz GNSCXJDSLHETHC-UHFFFAOYSA-N 1 2 295.342 3.285 20 30 CGEDLO N#C[C@@H]1C[N@H+](CC2CCCCC2)CCN1Cc1ccccc1 ZINC000505422920 375658611 /nfs/dbraw/zinc/65/86/11/375658611.db2.gz RSQSIFAJUHAZMS-LJQANCHMSA-N 1 2 297.446 3.277 20 30 CGEDLO N#C[C@@H]1C[N@@H+](CC2CCCCC2)CCN1Cc1ccccc1 ZINC000505422920 375658616 /nfs/dbraw/zinc/65/86/16/375658616.db2.gz RSQSIFAJUHAZMS-LJQANCHMSA-N 1 2 297.446 3.277 20 30 CGEDLO Cc1cccc2[nH+]cc(CN(CCC#N)Cc3ccco3)n21 ZINC000505766719 375662019 /nfs/dbraw/zinc/66/20/19/375662019.db2.gz OSYXQSPMUPJWBO-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000192177366 375706333 /nfs/dbraw/zinc/70/63/33/375706333.db2.gz PNMLIYGLSATZCE-HNNXBMFYSA-N 1 2 288.322 3.076 20 30 CGEDLO CC(C)[C@H]([NH2+]CC#Cc1ccccc1)c1nc(C2CC2)no1 ZINC000192164307 375706350 /nfs/dbraw/zinc/70/63/50/375706350.db2.gz OYQHBTFTGYYQDA-INIZCTEOSA-N 1 2 295.386 3.285 20 30 CGEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000336159090 375735156 /nfs/dbraw/zinc/73/51/56/375735156.db2.gz CKEBROANJGCSNB-HNNXBMFYSA-N 1 2 291.782 3.492 20 30 CGEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000336159090 375735164 /nfs/dbraw/zinc/73/51/64/375735164.db2.gz CKEBROANJGCSNB-HNNXBMFYSA-N 1 2 291.782 3.492 20 30 CGEDLO C=C(C)CC[NH2+][C@@](CC)(C(=O)OC)c1ccccc1 ZINC000509348600 375779394 /nfs/dbraw/zinc/77/93/94/375779394.db2.gz RQBYIDWJXVRRKH-MRXNPFEDSA-N 1 2 261.365 3.021 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000516519286 375820318 /nfs/dbraw/zinc/82/03/18/375820318.db2.gz JWJTWSCTAYQBOT-VIFPVBQESA-N 1 2 286.206 3.309 20 30 CGEDLO C[N@H+](Cc1cccnc1C(F)(F)F)CC(C)(C)C#N ZINC000528513573 375903506 /nfs/dbraw/zinc/90/35/06/375903506.db2.gz WYGRYZBXHNSESL-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO C[N@@H+](Cc1cccnc1C(F)(F)F)CC(C)(C)C#N ZINC000528513573 375903514 /nfs/dbraw/zinc/90/35/14/375903514.db2.gz WYGRYZBXHNSESL-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO C=C[C@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337770966 376239186 /nfs/dbraw/zinc/23/91/86/376239186.db2.gz OFYSDXOPHQEJFY-LBPRGKRZSA-N 1 2 268.316 3.178 20 30 CGEDLO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1nccs1 ZINC000223564373 376257551 /nfs/dbraw/zinc/25/75/51/376257551.db2.gz ZBQYVHXJUJPVBC-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(CC)o1 ZINC000539816345 376332888 /nfs/dbraw/zinc/33/28/88/376332888.db2.gz XYYDYJZYTIUONH-UHFFFAOYSA-N 1 2 260.337 3.061 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(CC)o1 ZINC000539816345 376332892 /nfs/dbraw/zinc/33/28/92/376332892.db2.gz XYYDYJZYTIUONH-UHFFFAOYSA-N 1 2 260.337 3.061 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000338266950 376302842 /nfs/dbraw/zinc/30/28/42/376302842.db2.gz SWGCLIHJSIPYDM-LLVKDONJSA-N 1 2 273.311 3.072 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000338266950 376302845 /nfs/dbraw/zinc/30/28/45/376302845.db2.gz SWGCLIHJSIPYDM-LLVKDONJSA-N 1 2 273.311 3.072 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)c1 ZINC000334318953 206361774 /nfs/dbraw/zinc/36/17/74/206361774.db2.gz SWLJURWJQNPYDK-DLBZAZTESA-N 1 2 268.360 3.040 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)c1 ZINC000334318953 206361778 /nfs/dbraw/zinc/36/17/78/206361778.db2.gz SWLJURWJQNPYDK-DLBZAZTESA-N 1 2 268.360 3.040 20 30 CGEDLO C=CCOCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000339110637 376685459 /nfs/dbraw/zinc/68/54/59/376685459.db2.gz ICTMDGSUYQUWIC-BBRMVZONSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000339110637 376685461 /nfs/dbraw/zinc/68/54/61/376685461.db2.gz ICTMDGSUYQUWIC-BBRMVZONSA-N 1 2 295.810 3.304 20 30 CGEDLO N#Cc1cc(Cl)ccc1NCCNc1cccc[nH+]1 ZINC000340602722 377168183 /nfs/dbraw/zinc/16/81/83/377168183.db2.gz ZGKJRUKOQCNUFM-UHFFFAOYSA-N 1 2 272.739 3.131 20 30 CGEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1C(F)(F)F ZINC000248791150 377402534 /nfs/dbraw/zinc/40/25/34/377402534.db2.gz NRDRDRLVICDUJO-NEPJUHHUSA-N 1 2 287.329 3.340 20 30 CGEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@@H]1C(F)(F)F ZINC000248791150 377402543 /nfs/dbraw/zinc/40/25/43/377402543.db2.gz NRDRDRLVICDUJO-NEPJUHHUSA-N 1 2 287.329 3.340 20 30 CGEDLO Cc1cnc(CC[N@H+](CCC#N)Cc2ccccn2)c(C)c1 ZINC000566794126 377500627 /nfs/dbraw/zinc/50/06/27/377500627.db2.gz QWXFEJQGAHUBCN-UHFFFAOYSA-N 1 2 294.402 3.052 20 30 CGEDLO Cc1cnc(CC[N@@H+](CCC#N)Cc2ccccn2)c(C)c1 ZINC000566794126 377500633 /nfs/dbraw/zinc/50/06/33/377500633.db2.gz QWXFEJQGAHUBCN-UHFFFAOYSA-N 1 2 294.402 3.052 20 30 CGEDLO Cc1nc(Nc2cccc(CC#N)c2)c2c([nH+]1)CCCC2 ZINC000572949761 377553099 /nfs/dbraw/zinc/55/30/99/377553099.db2.gz YZSVTYKZOXVJOK-UHFFFAOYSA-N 1 2 278.359 3.474 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4ncccc43)n2c1 ZINC000342768955 377780007 /nfs/dbraw/zinc/78/00/07/377780007.db2.gz OONMLKUCXYOFMD-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO Cc1cccc(CCCNc2cccc(F)c2C#N)[nH+]1 ZINC000343239872 377937223 /nfs/dbraw/zinc/93/72/23/377937223.db2.gz RQPDALDTVXHZEP-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO C=CCCC1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000343354730 377958847 /nfs/dbraw/zinc/95/88/47/377958847.db2.gz NRYGWNOLALYEBM-UHFFFAOYSA-N 1 2 296.374 3.011 20 30 CGEDLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1ncc(C#N)cn1 ZINC000578730869 378094844 /nfs/dbraw/zinc/09/48/44/378094844.db2.gz LPJMZJORUSPAHL-UHFFFAOYSA-N 1 2 294.402 3.278 20 30 CGEDLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1ncc(C#N)cn1 ZINC000578730869 378094852 /nfs/dbraw/zinc/09/48/52/378094852.db2.gz LPJMZJORUSPAHL-UHFFFAOYSA-N 1 2 294.402 3.278 20 30 CGEDLO C=CCCCC[C@H](C)[NH2+]Cc1[nH]ncc1Br ZINC000579553980 378171760 /nfs/dbraw/zinc/17/17/60/378171760.db2.gz OPYGRHWOMZYFKX-JTQLQIEISA-N 1 2 286.217 3.397 20 30 CGEDLO Cc1cccc(Oc2cc(C[NH2+]CCC#N)ccn2)c1C ZINC000579582414 378173782 /nfs/dbraw/zinc/17/37/82/378173782.db2.gz ZUJVXZLMLIVYJZ-UHFFFAOYSA-N 1 2 281.359 3.494 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000271018173 378428593 /nfs/dbraw/zinc/42/85/93/378428593.db2.gz IRDDBITXUGAEGV-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000271018173 378428596 /nfs/dbraw/zinc/42/85/96/378428596.db2.gz IRDDBITXUGAEGV-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C=C(Br)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000274061194 378772692 /nfs/dbraw/zinc/77/26/92/378772692.db2.gz QIHBAJILKQQWRY-UHFFFAOYSA-N 1 2 287.226 3.329 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccco2)n1)C1CC1 ZINC000274216130 378793380 /nfs/dbraw/zinc/79/33/80/378793380.db2.gz UNOITTZVYMZUBI-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccco2)n1)C1CC1 ZINC000274216130 378793391 /nfs/dbraw/zinc/79/33/91/378793391.db2.gz UNOITTZVYMZUBI-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000274329086 378810172 /nfs/dbraw/zinc/81/01/72/378810172.db2.gz IHHZPVKVLTUENE-NSHDSACASA-N 1 2 257.337 3.184 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000276797629 379000112 /nfs/dbraw/zinc/00/01/12/379000112.db2.gz MAPSJHTVPGZPIF-IBGZPJMESA-N 1 2 277.367 3.112 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000276797629 379000117 /nfs/dbraw/zinc/00/01/17/379000117.db2.gz MAPSJHTVPGZPIF-IBGZPJMESA-N 1 2 277.367 3.112 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)ns1 ZINC000639162907 379079924 /nfs/dbraw/zinc/07/99/24/379079924.db2.gz ULFGPKJZEPDHSZ-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)ns1 ZINC000639162907 379079926 /nfs/dbraw/zinc/07/99/26/379079926.db2.gz ULFGPKJZEPDHSZ-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000375796227 379511543 /nfs/dbraw/zinc/51/15/43/379511543.db2.gz SMIWDCHXLRTZME-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO C#CCC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000375796227 379511555 /nfs/dbraw/zinc/51/15/55/379511555.db2.gz SMIWDCHXLRTZME-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000266891509 190287954 /nfs/dbraw/zinc/28/79/54/190287954.db2.gz CWOCCZOVPRUMDA-JTQLQIEISA-N 1 2 289.404 3.030 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000266891509 190287955 /nfs/dbraw/zinc/28/79/55/190287955.db2.gz CWOCCZOVPRUMDA-JTQLQIEISA-N 1 2 289.404 3.030 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncnn1C(C)C ZINC000280135538 379617391 /nfs/dbraw/zinc/61/73/91/379617391.db2.gz WIDURPUHYSAXHE-UHFFFAOYSA-N 1 2 284.407 3.090 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncnn1C(C)C ZINC000280135538 379617401 /nfs/dbraw/zinc/61/74/01/379617401.db2.gz WIDURPUHYSAXHE-UHFFFAOYSA-N 1 2 284.407 3.090 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)no1 ZINC000377014705 379623899 /nfs/dbraw/zinc/62/38/99/379623899.db2.gz ODDIQJMGLCBDFD-INIZCTEOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)no1 ZINC000377014705 379623910 /nfs/dbraw/zinc/62/39/10/379623910.db2.gz ODDIQJMGLCBDFD-INIZCTEOSA-N 1 2 285.322 3.331 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000280811085 379795997 /nfs/dbraw/zinc/79/59/97/379795997.db2.gz UHAZSTWOVGHLBT-DOMZBBRYSA-N 1 2 281.783 3.116 20 30 CGEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000640317865 379767851 /nfs/dbraw/zinc/76/78/51/379767851.db2.gz LFHPWIGQAIIIAA-SHTZXODSSA-N 1 2 299.418 3.277 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352490215 379836010 /nfs/dbraw/zinc/83/60/10/379836010.db2.gz HFQWTZMAVFAAKQ-JTQLQIEISA-N 1 2 268.282 3.353 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCCOc1ccccc1C#N ZINC000352552705 379855789 /nfs/dbraw/zinc/85/57/89/379855789.db2.gz AMESBBRCWOFYMN-UHFFFAOYSA-N 1 2 282.343 3.282 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000379455730 379860946 /nfs/dbraw/zinc/86/09/46/379860946.db2.gz NCVHCHGYSAXRHH-UHFFFAOYSA-N 1 2 299.599 3.496 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389478171 379900432 /nfs/dbraw/zinc/90/04/32/379900432.db2.gz RBHHYEJHJRWULI-NSHDSACASA-N 1 2 255.308 3.385 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1c(F)cccc1F ZINC000352855175 380007813 /nfs/dbraw/zinc/00/78/13/380007813.db2.gz SPRNAPKCNMKZEJ-QMMMGPOBSA-N 1 2 279.315 3.144 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000353674501 380218268 /nfs/dbraw/zinc/21/82/68/380218268.db2.gz FGQYQKZXDLAQFE-LKFCYVNXSA-N 1 2 284.388 3.056 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000645262268 380635996 /nfs/dbraw/zinc/63/59/96/380635996.db2.gz JHVBIYRNDBGLHG-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000645262268 380636001 /nfs/dbraw/zinc/63/60/01/380636001.db2.gz JHVBIYRNDBGLHG-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO N#Cc1ccc(NCc2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000355745718 380767278 /nfs/dbraw/zinc/76/72/78/380767278.db2.gz FBMAJOYPVPETSM-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO N#Cc1cc(F)c(NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000357423367 381153942 /nfs/dbraw/zinc/15/39/42/381153942.db2.gz PJEMBWHDAUQMTH-UHFFFAOYSA-N 1 2 284.269 3.096 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000359476673 381347898 /nfs/dbraw/zinc/34/78/98/381347898.db2.gz BMTXAAQLNHICEQ-UHFFFAOYSA-N 1 2 298.243 3.068 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000359885356 381378735 /nfs/dbraw/zinc/37/87/35/381378735.db2.gz JZTWXKUEXJDANL-UHFFFAOYSA-N 1 2 253.349 3.368 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000361150458 381658189 /nfs/dbraw/zinc/65/81/89/381658189.db2.gz AJSQJKIXLZIKLU-GUTXKFCHSA-N 1 2 270.380 3.084 20 30 CGEDLO COC1(C[N@H+](CCC#N)Cc2ccccn2)CCCCC1 ZINC000361566053 381809518 /nfs/dbraw/zinc/80/95/18/381809518.db2.gz PPXUYWYKRCPKNA-UHFFFAOYSA-N 1 2 287.407 3.147 20 30 CGEDLO COC1(C[N@@H+](CCC#N)Cc2ccccn2)CCCCC1 ZINC000361566053 381809522 /nfs/dbraw/zinc/80/95/22/381809522.db2.gz PPXUYWYKRCPKNA-UHFFFAOYSA-N 1 2 287.407 3.147 20 30 CGEDLO CC(C)(C)CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366072712 382302966 /nfs/dbraw/zinc/30/29/66/382302966.db2.gz KZIOBBLDWAWHDP-GOEBONIOSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)(C)CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366072712 382302971 /nfs/dbraw/zinc/30/29/71/382302971.db2.gz KZIOBBLDWAWHDP-GOEBONIOSA-N 1 2 264.413 3.350 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367295326 382343253 /nfs/dbraw/zinc/34/32/53/382343253.db2.gz JMZDXSYLAJCXSB-UHFFFAOYSA-N 1 2 258.752 3.400 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367295326 382343260 /nfs/dbraw/zinc/34/32/60/382343260.db2.gz JMZDXSYLAJCXSB-UHFFFAOYSA-N 1 2 258.752 3.400 20 30 CGEDLO CC(C)(CCC#N)C[NH2+]c1ccc(OC2COC2)cc1 ZINC000186495427 262095247 /nfs/dbraw/zinc/09/52/47/262095247.db2.gz QQQPTRZIDRWDOX-UHFFFAOYSA-N 1 2 274.364 3.206 20 30 CGEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OCC(C)C ZINC000352091073 533541560 /nfs/dbraw/zinc/54/15/60/533541560.db2.gz GHNOQADVAUQPCZ-CQSZACIVSA-N 1 2 290.407 3.321 20 30 CGEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC(C)C ZINC000352091073 533541562 /nfs/dbraw/zinc/54/15/62/533541562.db2.gz GHNOQADVAUQPCZ-CQSZACIVSA-N 1 2 290.407 3.321 20 30 CGEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1C#N ZINC000191300748 130217429 /nfs/dbraw/zinc/21/74/29/130217429.db2.gz UIRZZQQCEAEDGH-AWEZNQCLSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1C#N ZINC000191300748 130217431 /nfs/dbraw/zinc/21/74/31/130217431.db2.gz UIRZZQQCEAEDGH-AWEZNQCLSA-N 1 2 286.404 3.080 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1[nH]ncc1C)c1ccc(F)c(F)c1 ZINC000289569282 392424423 /nfs/dbraw/zinc/42/44/23/392424423.db2.gz RSHFPKMCLHGOMX-HNNXBMFYSA-N 1 2 277.318 3.403 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1n[nH]cc1C)c1ccc(F)c(F)c1 ZINC000289569282 392424432 /nfs/dbraw/zinc/42/44/32/392424432.db2.gz RSHFPKMCLHGOMX-HNNXBMFYSA-N 1 2 277.318 3.403 20 30 CGEDLO Cc1cc(N2CCC(C#N)CC2)c2cccc(F)c2[nH+]1 ZINC000123509964 392428095 /nfs/dbraw/zinc/42/80/95/392428095.db2.gz XQFQLPFIAIGMJD-UHFFFAOYSA-N 1 2 269.323 3.422 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C#N)o1)Cc1cccs1 ZINC000119933904 392398160 /nfs/dbraw/zinc/39/81/60/392398160.db2.gz GRRWCDMPNXDRSH-UHFFFAOYSA-N 1 2 258.346 3.401 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccs1 ZINC000119933904 392398162 /nfs/dbraw/zinc/39/81/62/392398162.db2.gz GRRWCDMPNXDRSH-UHFFFAOYSA-N 1 2 258.346 3.401 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000153804408 392529869 /nfs/dbraw/zinc/52/98/69/392529869.db2.gz YTBZRDZKYZVVLJ-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000153804408 392529875 /nfs/dbraw/zinc/52/98/75/392529875.db2.gz YTBZRDZKYZVVLJ-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO CCC[N@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000292181740 392500836 /nfs/dbraw/zinc/50/08/36/392500836.db2.gz MZPYBTFTDBTFBS-UHFFFAOYSA-N 1 2 297.406 3.212 20 30 CGEDLO CCC[N@@H+](Cc1nnc(C(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000292181740 392500838 /nfs/dbraw/zinc/50/08/38/392500838.db2.gz MZPYBTFTDBTFBS-UHFFFAOYSA-N 1 2 297.406 3.212 20 30 CGEDLO CC#CC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374066859 392668435 /nfs/dbraw/zinc/66/84/35/392668435.db2.gz QJEDUVBLXLJBFQ-MRXNPFEDSA-N 1 2 285.778 3.175 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374066859 392668442 /nfs/dbraw/zinc/66/84/42/392668442.db2.gz QJEDUVBLXLJBFQ-MRXNPFEDSA-N 1 2 285.778 3.175 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC000173550564 392627345 /nfs/dbraw/zinc/62/73/45/392627345.db2.gz HOHAVPSVOGSFJN-UHFFFAOYSA-N 1 2 276.428 3.189 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC000173550564 392627349 /nfs/dbraw/zinc/62/73/49/392627349.db2.gz HOHAVPSVOGSFJN-UHFFFAOYSA-N 1 2 276.428 3.189 20 30 CGEDLO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C#N)CC1 ZINC000175137870 392648928 /nfs/dbraw/zinc/64/89/28/392648928.db2.gz RXOLYZRUXQJLCZ-LLVKDONJSA-N 1 2 261.369 3.269 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)CC(C)C)CCC2 ZINC000330393369 392692774 /nfs/dbraw/zinc/69/27/74/392692774.db2.gz HZZYRIIBDCGYAI-OCCSQVGLSA-N 1 2 292.427 3.007 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(F)F ZINC000334670250 392746448 /nfs/dbraw/zinc/74/64/48/392746448.db2.gz GZNAXTSKZBVKGU-ZANVPECISA-N 1 2 250.292 3.179 20 30 CGEDLO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1csnn1 ZINC000412047987 392995237 /nfs/dbraw/zinc/99/52/37/392995237.db2.gz WXKXHJAMZPYLJO-LLVKDONJSA-N 1 2 264.398 3.053 20 30 CGEDLO C=CCCOCCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000342964832 393014951 /nfs/dbraw/zinc/01/49/51/393014951.db2.gz HQWPEILPMZWLNZ-UHFFFAOYSA-N 1 2 276.380 3.400 20 30 CGEDLO N#CC1(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000343318863 393026405 /nfs/dbraw/zinc/02/64/05/393026405.db2.gz HIDFNJKRVBLERC-UHFFFAOYSA-N 1 2 286.219 3.107 20 30 CGEDLO N#CC1(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000343318863 393026409 /nfs/dbraw/zinc/02/64/09/393026409.db2.gz HIDFNJKRVBLERC-UHFFFAOYSA-N 1 2 286.219 3.107 20 30 CGEDLO N#Cc1cc(F)cc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000600856952 393210364 /nfs/dbraw/zinc/21/03/64/393210364.db2.gz UFCBXZPUSSFLPV-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)n1 ZINC000352835870 393211733 /nfs/dbraw/zinc/21/17/33/393211733.db2.gz QKLGVQCYTNTCTA-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO CCC1(CC)C[N@H+](Cc2nc(C#N)cs2)CCS1 ZINC000356430135 393442176 /nfs/dbraw/zinc/44/21/76/393442176.db2.gz CQBVCQYTVTXSPF-UHFFFAOYSA-N 1 2 281.450 3.122 20 30 CGEDLO CCC1(CC)C[N@@H+](Cc2nc(C#N)cs2)CCS1 ZINC000356430135 393442178 /nfs/dbraw/zinc/44/21/78/393442178.db2.gz CQBVCQYTVTXSPF-UHFFFAOYSA-N 1 2 281.450 3.122 20 30 CGEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000361044998 393654617 /nfs/dbraw/zinc/65/46/17/393654617.db2.gz KCTJHNUJFZJGLN-ZDUSSCGKSA-N 1 2 291.354 3.074 20 30 CGEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000361044998 393654621 /nfs/dbraw/zinc/65/46/21/393654621.db2.gz KCTJHNUJFZJGLN-ZDUSSCGKSA-N 1 2 291.354 3.074 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000491543998 393695661 /nfs/dbraw/zinc/69/56/61/393695661.db2.gz JKGZGDICJQSTIB-LBPRGKRZSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000491543998 393695666 /nfs/dbraw/zinc/69/56/66/393695666.db2.gz JKGZGDICJQSTIB-LBPRGKRZSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000491643249 393697712 /nfs/dbraw/zinc/69/77/12/393697712.db2.gz ZYUCXIQQXGRLIB-SNVBAGLBSA-N 1 2 276.286 3.073 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000491643249 393697716 /nfs/dbraw/zinc/69/77/16/393697716.db2.gz ZYUCXIQQXGRLIB-SNVBAGLBSA-N 1 2 276.286 3.073 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768610 287119056 /nfs/dbraw/zinc/11/90/56/287119056.db2.gz JWDWAPPIAUMVPS-AWEZNQCLSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768610 287119059 /nfs/dbraw/zinc/11/90/59/287119059.db2.gz JWDWAPPIAUMVPS-AWEZNQCLSA-N 1 2 290.413 3.255 20 30 CGEDLO Cc1cc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)no1 ZINC000284316780 196028457 /nfs/dbraw/zinc/02/84/57/196028457.db2.gz WDNHEOHCQFJZRK-LBPRGKRZSA-N 1 2 267.332 3.195 20 30 CGEDLO CCC#C[C@H](C)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000680900575 543745408 /nfs/dbraw/zinc/74/54/08/543745408.db2.gz TWGWSTYQIKWRFK-GJZGRUSLSA-N 1 2 276.449 3.229 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000354725364 227084289 /nfs/dbraw/zinc/08/42/89/227084289.db2.gz KFRHNGWVKBTUEN-CQSZACIVSA-N 1 2 281.359 3.465 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000354725364 227084293 /nfs/dbraw/zinc/08/42/93/227084293.db2.gz KFRHNGWVKBTUEN-CQSZACIVSA-N 1 2 281.359 3.465 20 30 CGEDLO C=CCC1(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CCCC1 ZINC000665047085 419045513 /nfs/dbraw/zinc/04/55/13/419045513.db2.gz HIIPYWFPHNYOOY-STQMWFEESA-N 1 2 288.395 3.077 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)oc1C)Cc1ccccc1 ZINC000659822601 419002160 /nfs/dbraw/zinc/00/21/60/419002160.db2.gz LRRKNHGOTLFKPJ-UHFFFAOYSA-N 1 2 256.349 3.480 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)oc1C)Cc1ccccc1 ZINC000659822601 419002162 /nfs/dbraw/zinc/00/21/62/419002162.db2.gz LRRKNHGOTLFKPJ-UHFFFAOYSA-N 1 2 256.349 3.480 20 30 CGEDLO C=CCCC(C)(C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000666131435 419192069 /nfs/dbraw/zinc/19/20/69/419192069.db2.gz BZFGZIRYIKCLCZ-UHFFFAOYSA-N 1 2 272.352 3.201 20 30 CGEDLO C=CCCCC[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766331 419193102 /nfs/dbraw/zinc/19/31/02/419193102.db2.gz HFNBGHKPCSWMNI-OAHLLOKOSA-N 1 2 270.380 3.182 20 30 CGEDLO C=CCCCC[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660766331 419193103 /nfs/dbraw/zinc/19/31/03/419193103.db2.gz HFNBGHKPCSWMNI-OAHLLOKOSA-N 1 2 270.380 3.182 20 30 CGEDLO C=CC[N@H+](Cc1csc(C(C)C)n1)[C@H](C)COC ZINC000661244235 419243998 /nfs/dbraw/zinc/24/39/98/419243998.db2.gz RNQDNICQUUGRKF-GFCCVEGCSA-N 1 2 268.426 3.289 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C(C)C)n1)[C@H](C)COC ZINC000661244235 419244000 /nfs/dbraw/zinc/24/40/00/419244000.db2.gz RNQDNICQUUGRKF-GFCCVEGCSA-N 1 2 268.426 3.289 20 30 CGEDLO C=CC[N@H+](Cc1coc(-c2cccs2)n1)[C@@H](C)COC ZINC000661246248 419244609 /nfs/dbraw/zinc/24/46/09/419244609.db2.gz HDXGEPJCIDPZSF-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1coc(-c2cccs2)n1)[C@@H](C)COC ZINC000661246248 419244611 /nfs/dbraw/zinc/24/46/11/419244611.db2.gz HDXGEPJCIDPZSF-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000661380978 419255572 /nfs/dbraw/zinc/25/55/72/419255572.db2.gz SDIDVMNVTOTWJU-LBPRGKRZSA-N 1 2 287.329 3.234 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2nccn2CC(F)(F)F)C1 ZINC000661380978 419255574 /nfs/dbraw/zinc/25/55/74/419255574.db2.gz SDIDVMNVTOTWJU-LBPRGKRZSA-N 1 2 287.329 3.234 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661154766 419235618 /nfs/dbraw/zinc/23/56/18/419235618.db2.gz QXZFTNQYDQGIJJ-AWEZNQCLSA-N 1 2 295.386 3.285 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000661154766 419235620 /nfs/dbraw/zinc/23/56/20/419235620.db2.gz QXZFTNQYDQGIJJ-AWEZNQCLSA-N 1 2 295.386 3.285 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)cs2)o1 ZINC000331412716 228097997 /nfs/dbraw/zinc/09/79/97/228097997.db2.gz PVYFYGPAFDFBNF-YPMHNXCESA-N 1 2 287.388 3.493 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000356127321 228132274 /nfs/dbraw/zinc/13/22/74/228132274.db2.gz NSQCLZRDNXWGOA-AWEZNQCLSA-N 1 2 298.415 3.091 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000356127321 228132276 /nfs/dbraw/zinc/13/22/76/228132276.db2.gz NSQCLZRDNXWGOA-AWEZNQCLSA-N 1 2 298.415 3.091 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(Br)c1 ZINC000042451108 260186021 /nfs/dbraw/zinc/18/60/21/260186021.db2.gz LINGLOUXIPFYOK-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(Br)c1 ZINC000042451108 260186023 /nfs/dbraw/zinc/18/60/23/260186023.db2.gz LINGLOUXIPFYOK-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccco1 ZINC000081517505 260334169 /nfs/dbraw/zinc/33/41/69/260334169.db2.gz BPQNNAXBXRWZGA-UHFFFAOYSA-N 1 2 297.358 3.024 20 30 CGEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccco1 ZINC000081517505 260334171 /nfs/dbraw/zinc/33/41/71/260334171.db2.gz BPQNNAXBXRWZGA-UHFFFAOYSA-N 1 2 297.358 3.024 20 30 CGEDLO Cc1nc(N[C@H](CCC#N)c2ccccc2)cc[nH+]1 ZINC000164346763 261348620 /nfs/dbraw/zinc/34/86/20/261348620.db2.gz WYRDHRVPZJSZIA-CQSZACIVSA-N 1 2 252.321 3.242 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000491703071 261889098 /nfs/dbraw/zinc/88/90/98/261889098.db2.gz HQKMKVZATUEQKI-LLVKDONJSA-N 1 2 289.379 3.360 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000491703071 261889100 /nfs/dbraw/zinc/88/91/00/261889100.db2.gz HQKMKVZATUEQKI-LLVKDONJSA-N 1 2 289.379 3.360 20 30 CGEDLO COc1cccc(/C=[NH+]/CCC[C@@H]2CCCCO2)c1O ZINC000184307114 262015914 /nfs/dbraw/zinc/01/59/14/262015914.db2.gz STMSEXSKJUSSSY-IQGJIOQQSA-N 1 2 277.364 3.169 20 30 CGEDLO CCC[N@H+](CCOCC(F)(F)C(F)(F)F)CC(F)F ZINC000189028216 262166593 /nfs/dbraw/zinc/16/65/93/262166593.db2.gz GNNFTIRYEHOMQJ-UHFFFAOYSA-N 1 2 299.230 3.178 20 30 CGEDLO CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)CC(F)F ZINC000189028216 262166597 /nfs/dbraw/zinc/16/65/97/262166597.db2.gz GNNFTIRYEHOMQJ-UHFFFAOYSA-N 1 2 299.230 3.178 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000364279982 262194512 /nfs/dbraw/zinc/19/45/12/262194512.db2.gz IFBZDAZEZIAMSJ-ZWKOTPCHSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000364279982 262194513 /nfs/dbraw/zinc/19/45/13/262194513.db2.gz IFBZDAZEZIAMSJ-ZWKOTPCHSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000193176447 262217970 /nfs/dbraw/zinc/21/79/70/262217970.db2.gz BOUXWLNKFLSIHV-ZIAGYGMSSA-N 1 2 266.348 3.367 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000054182014 262260181 /nfs/dbraw/zinc/26/01/81/262260181.db2.gz ZGYZLTBLYCJPHQ-NSHDSACASA-N 1 2 272.270 3.367 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000227351861 262389092 /nfs/dbraw/zinc/38/90/92/262389092.db2.gz KBDNLYVTGRSLFK-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2ccccc2O[C@H](C)C#N)c1 ZINC000272401102 263003885 /nfs/dbraw/zinc/00/38/85/263003885.db2.gz FGYQUPNAXVJOIK-CYBMUJFWSA-N 1 2 297.358 3.302 20 30 CGEDLO CSc1ccccc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000280628925 263063520 /nfs/dbraw/zinc/06/35/20/263063520.db2.gz YRCIATLSTUDXQS-ZDUSSCGKSA-N 1 2 273.405 3.284 20 30 CGEDLO CSc1ccccc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000280628925 263063521 /nfs/dbraw/zinc/06/35/21/263063521.db2.gz YRCIATLSTUDXQS-ZDUSSCGKSA-N 1 2 273.405 3.284 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)CC12CCC(CC1)C2 ZINC000290168598 263115112 /nfs/dbraw/zinc/11/51/12/263115112.db2.gz YDZKPSAXORRFBA-UHFFFAOYSA-N 1 2 269.392 3.378 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)CC12CCC(CC1)C2 ZINC000290168598 263115113 /nfs/dbraw/zinc/11/51/13/263115113.db2.gz YDZKPSAXORRFBA-UHFFFAOYSA-N 1 2 269.392 3.378 20 30 CGEDLO CCOC(=O)[C@@H]([NH2+]CCCCC#N)c1cccc(C)c1C ZINC000297405151 263204333 /nfs/dbraw/zinc/20/43/33/263204333.db2.gz LSFOASXBBJYVQK-INIZCTEOSA-N 1 2 288.391 3.191 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000299436701 263242220 /nfs/dbraw/zinc/24/22/20/263242220.db2.gz HOTCABKNNFVZJG-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000299436701 263242221 /nfs/dbraw/zinc/24/22/21/263242221.db2.gz HOTCABKNNFVZJG-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1nc2cccnc2s1 ZINC000341572725 263342012 /nfs/dbraw/zinc/34/20/12/263342012.db2.gz CKZAREVYUQZKFZ-UHFFFAOYSA-N 1 2 288.420 3.453 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1nc2cccnc2s1 ZINC000341572725 263342014 /nfs/dbraw/zinc/34/20/14/263342014.db2.gz CKZAREVYUQZKFZ-UHFFFAOYSA-N 1 2 288.420 3.453 20 30 CGEDLO CCC1(CC)CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000331031345 264119564 /nfs/dbraw/zinc/11/95/64/264119564.db2.gz ZPJJCBZBPJLKFH-UHFFFAOYSA-N 1 2 292.427 3.136 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)Cc2nccs2)c1 ZINC000129287000 264319131 /nfs/dbraw/zinc/31/91/31/264319131.db2.gz CPIPDUOLEMEGBA-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)Cc2nccs2)c1 ZINC000129287000 264319134 /nfs/dbraw/zinc/31/91/34/264319134.db2.gz CPIPDUOLEMEGBA-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000518965293 265253036 /nfs/dbraw/zinc/25/30/36/265253036.db2.gz MSLHENAUSUCMGE-JOYOIKCWSA-N 1 2 293.292 3.124 20 30 CGEDLO Cc1cc(C)c(NC(=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000194725173 270082707 /nfs/dbraw/zinc/08/27/07/270082707.db2.gz OWDICAVUTQKFLH-UHFFFAOYSA-N 1 2 279.343 3.060 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H](CC)O1 ZINC000398354143 266378434 /nfs/dbraw/zinc/37/84/34/266378434.db2.gz ATKLGQFXWUQQBW-IYBDPMFKSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H](CC)O1 ZINC000398354143 266378438 /nfs/dbraw/zinc/37/84/38/266378438.db2.gz ATKLGQFXWUQQBW-IYBDPMFKSA-N 1 2 276.355 3.087 20 30 CGEDLO C=C[C@@H]1CCCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000362854922 267054114 /nfs/dbraw/zinc/05/41/14/267054114.db2.gz XLMRMHMXVLIWJT-CYBMUJFWSA-N 1 2 257.381 3.209 20 30 CGEDLO Cc1cc(N2CC[C@@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000399351249 267340514 /nfs/dbraw/zinc/34/05/14/267340514.db2.gz DIOGMIRJMHAUOI-OAHLLOKOSA-N 1 2 263.344 3.256 20 30 CGEDLO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCC#N ZINC000347350044 278038654 /nfs/dbraw/zinc/03/86/54/278038654.db2.gz LVIJYOQZSPSCQX-LLVKDONJSA-N 1 2 293.208 3.499 20 30 CGEDLO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCCC#N ZINC000347350044 278038656 /nfs/dbraw/zinc/03/86/56/278038656.db2.gz LVIJYOQZSPSCQX-LLVKDONJSA-N 1 2 293.208 3.499 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000377668484 278337176 /nfs/dbraw/zinc/33/71/76/278337176.db2.gz BYOJDXTZLBVUNG-HZPDHXFCSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000377668484 278337177 /nfs/dbraw/zinc/33/71/77/278337177.db2.gz BYOJDXTZLBVUNG-HZPDHXFCSA-N 1 2 288.366 3.087 20 30 CGEDLO Cc1cc(N[C@@H]2CCc3c2cccc3Cl)c(C#N)c[nH+]1 ZINC000425205017 280300144 /nfs/dbraw/zinc/30/01/44/280300144.db2.gz AYDMPEOGCDVESS-OAHLLOKOSA-N 1 2 283.762 3.436 20 30 CGEDLO Cc1cc(N[C@H]2CCc3sc(Cl)cc32)c(C#N)c[nH+]1 ZINC000425268196 280301260 /nfs/dbraw/zinc/30/12/60/280301260.db2.gz NQGYATAWDRISEG-NSHDSACASA-N 1 2 289.791 3.498 20 30 CGEDLO N#Cc1c(F)cccc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000267272006 303176220 /nfs/dbraw/zinc/17/62/20/303176220.db2.gz MSGDCQPOXBSTTH-AWEZNQCLSA-N 1 2 270.311 3.152 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000491807146 327849895 /nfs/dbraw/zinc/84/98/95/327849895.db2.gz BRTBGZLLKVWCNB-HNNXBMFYSA-N 1 2 270.332 3.223 20 30 CGEDLO COc1cccc(C=C2CC[NH+](CCC#N)CC2)c1 ZINC000268429279 328184975 /nfs/dbraw/zinc/18/49/75/328184975.db2.gz FEVFBAHHOSCJOE-UHFFFAOYSA-N 1 2 256.349 3.088 20 30 CGEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)n1 ZINC000569633349 322252709 /nfs/dbraw/zinc/25/27/09/322252709.db2.gz AZYJOWGNNIGDNE-CQSZACIVSA-N 1 2 284.388 3.055 20 30 CGEDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)n1 ZINC000569633349 322252711 /nfs/dbraw/zinc/25/27/11/322252711.db2.gz AZYJOWGNNIGDNE-CQSZACIVSA-N 1 2 284.388 3.055 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(F)cc1F)CC1CC1 ZINC000084863665 327151046 /nfs/dbraw/zinc/15/10/46/327151046.db2.gz NCHBZFJFMRIEKU-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(F)cc1F)CC1CC1 ZINC000084863665 327151048 /nfs/dbraw/zinc/15/10/48/327151048.db2.gz NCHBZFJFMRIEKU-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](CC)C(F)F)cc1OC ZINC000449356576 327169721 /nfs/dbraw/zinc/16/97/21/327169721.db2.gz AIMGXKRJSNULPN-GFCCVEGCSA-N 1 2 285.334 3.393 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000559467177 327246959 /nfs/dbraw/zinc/24/69/59/327246959.db2.gz LWURNDSOXYONQD-AWEZNQCLSA-N 1 2 280.371 3.122 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000559467177 327246960 /nfs/dbraw/zinc/24/69/60/327246960.db2.gz LWURNDSOXYONQD-AWEZNQCLSA-N 1 2 280.371 3.122 20 30 CGEDLO C=CCC1(C(=O)NCCCCn2cc[nH+]c2)CCCCC1 ZINC000562649690 327502531 /nfs/dbraw/zinc/50/25/31/327502531.db2.gz AUVZTQPFAVNYCR-UHFFFAOYSA-N 1 2 289.423 3.306 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)CCC#N ZINC000351956787 328741014 /nfs/dbraw/zinc/74/10/14/328741014.db2.gz PVKZRKNCLCDIOI-UHFFFAOYSA-N 1 2 274.368 3.150 20 30 CGEDLO C=CCCCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000584361172 329102380 /nfs/dbraw/zinc/10/23/80/329102380.db2.gz FWSJMLKFIMTPJV-CYBMUJFWSA-N 1 2 276.409 3.292 20 30 CGEDLO C[C@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@H](C)S1 ZINC000582523222 329106474 /nfs/dbraw/zinc/10/64/74/329106474.db2.gz GABHOQMBJNWCSH-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582524226 329106940 /nfs/dbraw/zinc/10/69/40/329106940.db2.gz MGLSNTZRYQKHQK-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000582524226 329106941 /nfs/dbraw/zinc/10/69/41/329106941.db2.gz MGLSNTZRYQKHQK-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1csc([C@H](C)OC)n1 ZINC000175063259 329162193 /nfs/dbraw/zinc/16/21/93/329162193.db2.gz UNFQVCCQQHJJIH-NSHDSACASA-N 1 2 254.399 3.249 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1csc([C@H](C)OC)n1 ZINC000175063259 329162194 /nfs/dbraw/zinc/16/21/94/329162194.db2.gz UNFQVCCQQHJJIH-NSHDSACASA-N 1 2 254.399 3.249 20 30 CGEDLO Cc1cccn2c(CNc3ccc(CC#N)cc3)c[nH+]c12 ZINC000183280393 329248820 /nfs/dbraw/zinc/24/88/20/329248820.db2.gz RETAYTMGXYHCID-UHFFFAOYSA-N 1 2 276.343 3.321 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185595457 329327100 /nfs/dbraw/zinc/32/71/00/329327100.db2.gz GIEPRDXJDCYXRL-CVEARBPZSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185595457 329327102 /nfs/dbraw/zinc/32/71/02/329327102.db2.gz GIEPRDXJDCYXRL-CVEARBPZSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000421581872 329843752 /nfs/dbraw/zinc/84/37/52/329843752.db2.gz ZNJKFJULWIWCSK-UHFFFAOYSA-N 1 2 258.365 3.061 20 30 CGEDLO C=C1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000271181310 330078101 /nfs/dbraw/zinc/07/81/01/330078101.db2.gz XEDAHMRHTNLOCL-UHFFFAOYSA-N 1 2 253.349 3.229 20 30 CGEDLO C=CCCCCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000455482735 331170717 /nfs/dbraw/zinc/17/07/17/331170717.db2.gz YJVGJOVPDAYUBF-AWEZNQCLSA-N 1 2 292.427 3.352 20 30 CGEDLO C=CCCCCCN(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455489938 331170918 /nfs/dbraw/zinc/17/09/18/331170918.db2.gz UHEDMNFGJDSXJI-KGLIPLIRSA-N 1 2 290.411 3.277 20 30 CGEDLO Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@@H](C)C#N ZINC000462499845 331322941 /nfs/dbraw/zinc/32/29/41/331322941.db2.gz GWESBGFYTNAAIO-NSHDSACASA-N 1 2 253.349 3.448 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1OCC ZINC000489449245 332053678 /nfs/dbraw/zinc/05/36/78/332053678.db2.gz UALRDUJPJWMTNJ-CQSZACIVSA-N 1 2 288.391 3.064 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1OCC ZINC000489449245 332053679 /nfs/dbraw/zinc/05/36/79/332053679.db2.gz UALRDUJPJWMTNJ-CQSZACIVSA-N 1 2 288.391 3.064 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000491617171 332244044 /nfs/dbraw/zinc/24/40/44/332244044.db2.gz BUMMVOLOTXFHSW-OAHLLOKOSA-N 1 2 270.719 3.269 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000491642788 332261818 /nfs/dbraw/zinc/26/18/18/332261818.db2.gz BYORHVLNLATATD-NSHDSACASA-N 1 2 289.404 3.122 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000491642788 332261820 /nfs/dbraw/zinc/26/18/20/332261820.db2.gz BYORHVLNLATATD-NSHDSACASA-N 1 2 289.404 3.122 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(CC)c1)c1ccc(Cl)cc1 ZINC000491644204 332262511 /nfs/dbraw/zinc/26/25/11/332262511.db2.gz JFOCOSLNEFFDHP-OAHLLOKOSA-N 1 2 273.767 3.021 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncs1)c1ccc(Cl)cc1 ZINC000491701853 332296189 /nfs/dbraw/zinc/29/61/89/332296189.db2.gz HYBWTEDQHDTUAF-ZDUSSCGKSA-N 1 2 262.765 3.261 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000185035071 333134576 /nfs/dbraw/zinc/13/45/76/333134576.db2.gz VLQLNYOMGXNHLU-HNNXBMFYSA-N 1 2 297.320 3.492 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000185035071 333134578 /nfs/dbraw/zinc/13/45/78/333134578.db2.gz VLQLNYOMGXNHLU-HNNXBMFYSA-N 1 2 297.320 3.492 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc2ccc(F)cc2[nH]1 ZINC000576054412 335146923 /nfs/dbraw/zinc/14/69/23/335146923.db2.gz XIUOBZBRTAFGLQ-UHFFFAOYSA-N 1 2 259.328 3.431 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc2ccc(F)cc2[nH]1 ZINC000576054412 335146924 /nfs/dbraw/zinc/14/69/24/335146924.db2.gz XIUOBZBRTAFGLQ-UHFFFAOYSA-N 1 2 259.328 3.431 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)o1 ZINC000174307602 335152397 /nfs/dbraw/zinc/15/23/97/335152397.db2.gz KUOYRHWMMPACDE-UHFFFAOYSA-N 1 2 285.328 3.158 20 30 CGEDLO C=CCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000546634082 334042342 /nfs/dbraw/zinc/04/23/42/334042342.db2.gz YISMJDPOYZKVMS-UHFFFAOYSA-N 1 2 279.343 3.325 20 30 CGEDLO CC(C)CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135149015 334117848 /nfs/dbraw/zinc/11/78/48/334117848.db2.gz OAYAOGGKWHBPMI-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135149015 334117849 /nfs/dbraw/zinc/11/78/49/334117849.db2.gz OAYAOGGKWHBPMI-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000567067690 334678239 /nfs/dbraw/zinc/67/82/39/334678239.db2.gz JXCJRCUHQFNRFP-UHFFFAOYSA-N 1 2 271.364 3.423 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000577290054 335336059 /nfs/dbraw/zinc/33/60/59/335336059.db2.gz AYQDNSWURFJBTH-VIFPVBQESA-N 1 2 267.716 3.030 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nccs2)ccc1C#N ZINC000369706802 533804968 /nfs/dbraw/zinc/80/49/68/533804968.db2.gz NDUCSFVDZHKEEY-CQSZACIVSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@@H]2c2nccs2)ccc1C#N ZINC000369706802 533804989 /nfs/dbraw/zinc/80/49/89/533804989.db2.gz NDUCSFVDZHKEEY-CQSZACIVSA-N 1 2 299.399 3.360 20 30 CGEDLO Cc1cc(NC[C@@H](C)c2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425214908 534031088 /nfs/dbraw/zinc/03/10/88/534031088.db2.gz LDXBDLNUMFZNPS-LLVKDONJSA-N 1 2 269.323 3.038 20 30 CGEDLO C=CCCCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184384639 518697739 /nfs/dbraw/zinc/69/77/39/518697739.db2.gz YTRYXLFFFLBJCJ-AWEZNQCLSA-N 1 2 292.448 3.310 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2cccs2)on1 ZINC000331402429 534749605 /nfs/dbraw/zinc/74/96/05/534749605.db2.gz NCCBTZSKLNBZLD-ZYHUDNBSSA-N 1 2 273.361 3.185 20 30 CGEDLO COc1ccc(CNc2ccc(C)[nH+]c2C)cc1C#N ZINC000094664839 524097751 /nfs/dbraw/zinc/09/77/51/524097751.db2.gz MLPMPSOTMJVKER-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO N#Cc1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000358326298 534799018 /nfs/dbraw/zinc/79/90/18/534799018.db2.gz PPGARJHXCTVVJU-UHFFFAOYSA-N 1 2 292.367 3.431 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3cccc(F)c3C#N)ccc21 ZINC000439697568 534811750 /nfs/dbraw/zinc/81/17/50/534811750.db2.gz KWXCQUGZAYSGAS-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO C=CCN(Cc1c[nH+]c2cccc(C)n12)CC(F)(F)F ZINC000352735337 526380828 /nfs/dbraw/zinc/38/08/28/526380828.db2.gz HDVPPPFWSMHHFI-UHFFFAOYSA-N 1 2 283.297 3.193 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000334752863 526948517 /nfs/dbraw/zinc/94/85/17/526948517.db2.gz PHXGZYKOKPTTCF-UHFFFAOYSA-N 1 2 257.337 3.032 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C[C@H](C)C#N ZINC000352086715 528869063 /nfs/dbraw/zinc/86/90/63/528869063.db2.gz HQAFCSBPRFULDJ-GFCCVEGCSA-N 1 2 286.404 3.187 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccncc2)s1)C[C@H](C)C#N ZINC000352086715 528869065 /nfs/dbraw/zinc/86/90/65/528869065.db2.gz HQAFCSBPRFULDJ-GFCCVEGCSA-N 1 2 286.404 3.187 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000354934091 529300490 /nfs/dbraw/zinc/30/04/90/529300490.db2.gz ZXGDFJKNRDHDJZ-SNVBAGLBSA-N 1 2 275.377 3.087 20 30 CGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1cccc(O)c1 ZINC000728696276 571816228 /nfs/dbraw/zinc/81/62/28/571816228.db2.gz PCMRJVDTNRROBL-SNAWJCMRSA-N 1 2 296.248 3.047 20 30 CGEDLO CCCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000740878599 572465039 /nfs/dbraw/zinc/46/50/39/572465039.db2.gz OGUHAXBQHKSZDA-LLVKDONJSA-N 1 2 253.308 3.220 20 30 CGEDLO CCCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000740878599 572465043 /nfs/dbraw/zinc/46/50/43/572465043.db2.gz OGUHAXBQHKSZDA-LLVKDONJSA-N 1 2 253.308 3.220 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1nc(-c2ccccc2)cs1 ZINC000732571540 572472418 /nfs/dbraw/zinc/47/24/18/572472418.db2.gz RKNNFZTUYQFWQX-VOTSOKGWSA-N 1 2 281.340 3.429 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ncc(C(C)C)o2)ccc1F ZINC000733305995 572554502 /nfs/dbraw/zinc/55/45/02/572554502.db2.gz DZANLGGSCHAKMV-UHFFFAOYSA-N 1 2 291.326 3.083 20 30 CGEDLO Cc1[nH+]c2cc(N=Cc3cccc(O)c3O)ccc2n1C ZINC000743045318 572635554 /nfs/dbraw/zinc/63/55/54/572635554.db2.gz FTKGXOMBKWYVGM-UHFFFAOYSA-N 1 2 281.315 3.044 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cnc(-c2ccccc2)s1 ZINC000744410815 572751379 /nfs/dbraw/zinc/75/13/79/572751379.db2.gz UFMLYSQQUZUTTE-UHFFFAOYSA-N 1 2 280.396 3.269 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cnc(-c2ccccc2)s1 ZINC000744410815 572751384 /nfs/dbraw/zinc/75/13/84/572751384.db2.gz UFMLYSQQUZUTTE-UHFFFAOYSA-N 1 2 280.396 3.269 20 30 CGEDLO CC[C@@H](/[NH+]=C\c1cccc(OC)c1O)C1CCOCC1 ZINC000746392621 572868716 /nfs/dbraw/zinc/86/87/16/572868716.db2.gz FCPRLCHFSFXXDR-RQNDZEIBSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccsc2Cl)C1 ZINC000952406482 613296892 /nfs/dbraw/zinc/29/68/92/613296892.db2.gz BKPMCTSQZOMRAO-UHFFFAOYSA-N 1 2 298.839 3.124 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000948800902 613315535 /nfs/dbraw/zinc/31/55/35/613315535.db2.gz BFIKYFVMPJTFGZ-UHFFFAOYSA-N 1 2 278.440 3.067 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC000981043921 613373105 /nfs/dbraw/zinc/37/31/05/613373105.db2.gz NDQXDFJLNGMBGK-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC000981043921 613373106 /nfs/dbraw/zinc/37/31/06/613373106.db2.gz NDQXDFJLNGMBGK-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000981895589 613373717 /nfs/dbraw/zinc/37/37/17/613373717.db2.gz PPWKZNKGHWNXRO-LSDHHAIUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000981895589 613373718 /nfs/dbraw/zinc/37/37/18/613373718.db2.gz PPWKZNKGHWNXRO-LSDHHAIUSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974585805 613379630 /nfs/dbraw/zinc/37/96/30/613379630.db2.gz KWUKDZVCQPJPPJ-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974585805 613379631 /nfs/dbraw/zinc/37/96/31/613379631.db2.gz KWUKDZVCQPJPPJ-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO CC(=NOC/C=C/Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811670361 617710185 /nfs/dbraw/zinc/71/01/85/617710185.db2.gz QMIJOBOXTTYPKP-OIYXZUKISA-N 1 2 275.739 3.365 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3sccc3C2)cs1 ZINC000891553260 618238154 /nfs/dbraw/zinc/23/81/54/618238154.db2.gz SBAWAYNVSYXVHM-UHFFFAOYSA-N 1 2 260.387 3.240 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3sccc3C2)cs1 ZINC000891553260 618238155 /nfs/dbraw/zinc/23/81/55/618238155.db2.gz SBAWAYNVSYXVHM-UHFFFAOYSA-N 1 2 260.387 3.240 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC000891695039 618247546 /nfs/dbraw/zinc/24/75/46/618247546.db2.gz UDDNNRMAZNJUKW-UHFFFAOYSA-N 1 2 257.381 3.084 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1nccc2c1CCCC2 ZINC000891695039 618247554 /nfs/dbraw/zinc/24/75/54/618247554.db2.gz UDDNNRMAZNJUKW-UHFFFAOYSA-N 1 2 257.381 3.084 20 30 CGEDLO CC[N@@H+](Cc1cc(C)nc2c1CCCC2)C[C@@H](C)C#N ZINC000891716064 618256661 /nfs/dbraw/zinc/25/66/61/618256661.db2.gz KPEFLEVYHGHLOZ-ZDUSSCGKSA-N 1 2 271.408 3.250 20 30 CGEDLO CC[N@H+](Cc1cc(C)nc2c1CCCC2)C[C@@H](C)C#N ZINC000891716064 618256666 /nfs/dbraw/zinc/25/66/66/618256666.db2.gz KPEFLEVYHGHLOZ-ZDUSSCGKSA-N 1 2 271.408 3.250 20 30 CGEDLO COc1cccc(/C=[NH+]\CCCN(C)c2ccccc2)c1O ZINC000255393836 618272935 /nfs/dbraw/zinc/27/29/35/618272935.db2.gz DWCRTYCXEKVKRR-RGEXLXHISA-N 1 2 298.386 3.346 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)cnc1F ZINC000891937211 618394653 /nfs/dbraw/zinc/39/46/53/618394653.db2.gz BNOBIOUBDSNAFL-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)cnc1F ZINC000891937211 618394660 /nfs/dbraw/zinc/39/46/60/618394660.db2.gz BNOBIOUBDSNAFL-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Cl)nc1 ZINC000255642233 618771204 /nfs/dbraw/zinc/77/12/04/618771204.db2.gz JCFSIBKYGQYACO-WAYWQWQTSA-N 1 2 283.718 3.279 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000926729482 618846891 /nfs/dbraw/zinc/84/68/91/618846891.db2.gz YRNRPDOGVCNVDT-HIFRSBDPSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1cc(F)c(C#N)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000892961508 618964791 /nfs/dbraw/zinc/96/47/91/618964791.db2.gz DPSCVOSLDUCYGW-CYBMUJFWSA-N 1 2 296.349 3.092 20 30 CGEDLO C#CCCCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925527052 619023066 /nfs/dbraw/zinc/02/30/66/619023066.db2.gz OFPXAEVYQWGERA-HNNXBMFYSA-N 1 2 256.349 3.108 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1F ZINC000093090672 619165486 /nfs/dbraw/zinc/16/54/86/619165486.db2.gz HVMMPMQVDUGBGY-ZDUSSCGKSA-N 1 2 277.387 3.406 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1F ZINC000093090672 619165487 /nfs/dbraw/zinc/16/54/87/619165487.db2.gz HVMMPMQVDUGBGY-ZDUSSCGKSA-N 1 2 277.387 3.406 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000894003726 619350528 /nfs/dbraw/zinc/35/05/28/619350528.db2.gz PGEBUKRKQOFQHK-UHFFFAOYSA-N 1 2 282.334 3.432 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000894003726 619350530 /nfs/dbraw/zinc/35/05/30/619350530.db2.gz PGEBUKRKQOFQHK-UHFFFAOYSA-N 1 2 282.334 3.432 20 30 CGEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(C2CCC2)[nH+]1 ZINC000894271649 619458555 /nfs/dbraw/zinc/45/85/55/619458555.db2.gz IKDGXULKINOART-WCQYABFASA-N 1 2 256.353 3.157 20 30 CGEDLO Cc1cc(N2Cc3cccc(C#N)c3C2)nc(C2CCC2)[nH+]1 ZINC000894414456 619527109 /nfs/dbraw/zinc/52/71/09/619527109.db2.gz SQRVXWDINUNVID-UHFFFAOYSA-N 1 2 290.370 3.444 20 30 CGEDLO C=C1CC(c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)C1 ZINC000896877923 620082363 /nfs/dbraw/zinc/08/23/63/620082363.db2.gz RVSRJMFCVPGLBH-CQSZACIVSA-N 1 2 269.348 3.154 20 30 CGEDLO C=C1CC(c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)C1 ZINC000896881340 620083784 /nfs/dbraw/zinc/08/37/84/620083784.db2.gz IEHQTCXUOGBZOH-UHFFFAOYSA-N 1 2 280.331 3.050 20 30 CGEDLO COCC1(CC/[NH+]=C/c2cc(OC)ccc2O)CCC1 ZINC000840708068 620092125 /nfs/dbraw/zinc/09/21/25/620092125.db2.gz ZRWUXPAAWZEURL-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)CCCO)c1cccc(C#N)c1O ZINC000925301527 620391116 /nfs/dbraw/zinc/39/11/16/620391116.db2.gz ZPMASRWKXUPWNC-HNNXBMFYSA-N 1 2 290.407 3.103 20 30 CGEDLO C=C[C@@H](CC(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1 ZINC000898904405 620608266 /nfs/dbraw/zinc/60/82/66/620608266.db2.gz FMCKHYGXQWJKIC-HNNXBMFYSA-N 1 2 297.402 3.094 20 30 CGEDLO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(C#N)c1O ZINC000927160475 620614060 /nfs/dbraw/zinc/61/40/60/620614060.db2.gz SKDHXHNWQPCHML-IUODEOHRSA-N 1 2 286.375 3.016 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)ccc1C ZINC000901431938 620886524 /nfs/dbraw/zinc/88/65/24/620886524.db2.gz ZAXGYBWEMTWJHF-FPLPWBNLSA-N 1 2 254.333 3.416 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/COc2c(C)cc(C)cc2C1=O ZINC000901463366 620894498 /nfs/dbraw/zinc/89/44/98/620894498.db2.gz RKFWJDWPJPUVMK-QPEQYQDCSA-N 1 2 282.343 3.179 20 30 CGEDLO Cn1c[nH+]cc1/C=C1/C(=O)c2cccc3c2[C@H]1CCC3 ZINC000901489567 620899037 /nfs/dbraw/zinc/89/90/37/620899037.db2.gz LYUHDHZHFXQCGC-LIOBOASVSA-N 1 2 264.328 3.120 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(F)cc1N(C)C ZINC000901483994 620909489 /nfs/dbraw/zinc/90/94/89/620909489.db2.gz ZMLIAXRNIBXTKQ-SOFGYWHQSA-N 1 2 287.338 3.004 20 30 CGEDLO Cc1[nH]c(/C=C2/CCOc3cc(C)ccc3C2=O)[nH+]c1C ZINC000901486070 620909824 /nfs/dbraw/zinc/90/98/24/620909824.db2.gz VXZWGVWMZJFGTP-LCYFTJDESA-N 1 2 282.343 3.384 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000901532408 620915549 /nfs/dbraw/zinc/91/55/49/620915549.db2.gz RZOYNPZHCRSSGQ-IZZDOVSWSA-N 1 2 297.314 3.195 20 30 CGEDLO COc1ccc2c(c1)C[C@H](C)/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901578316 620944746 /nfs/dbraw/zinc/94/47/46/620944746.db2.gz KJGCDXBIVNNEJW-JSJZUPIVSA-N 1 2 296.370 3.494 20 30 CGEDLO CCN(CC)c1ccc(N[C@H](C)c2cc(C#N)ccn2)c[nH+]1 ZINC000902921315 621491874 /nfs/dbraw/zinc/49/18/74/621491874.db2.gz UDOKGYFPQSQOEO-CYBMUJFWSA-N 1 2 295.390 3.368 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1c(O)cccc1F ZINC000903109541 621582940 /nfs/dbraw/zinc/58/29/40/621582940.db2.gz QWPVLGVCZJSBPX-NSHDSACASA-N 1 2 262.328 3.266 20 30 CGEDLO NC(=[NH+]OCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000073342277 625512884 /nfs/dbraw/zinc/51/28/84/625512884.db2.gz JNYDEZMWUKWOQU-UHFFFAOYSA-N 1 2 299.355 3.240 20 30 CGEDLO CC(=NNCCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000905468021 622078957 /nfs/dbraw/zinc/07/89/57/622078957.db2.gz QTVSGOMCPBMDJN-UHFFFAOYSA-N 1 2 296.296 3.138 20 30 CGEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C(C)C ZINC000905748166 622099243 /nfs/dbraw/zinc/09/92/43/622099243.db2.gz GFYLLQQHWHHLRF-KRWDZBQOSA-N 1 2 296.414 3.041 20 30 CGEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C(C)C ZINC000905748166 622099247 /nfs/dbraw/zinc/09/92/47/622099247.db2.gz GFYLLQQHWHHLRF-KRWDZBQOSA-N 1 2 296.414 3.041 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)[nH+]c1C ZINC000912707198 622691819 /nfs/dbraw/zinc/69/18/19/622691819.db2.gz MMLHHWUMHWQEOV-GASCZTMLSA-N 1 2 270.376 3.330 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052440572 622890075 /nfs/dbraw/zinc/89/00/75/622890075.db2.gz LTIVFCMYYNKGBY-UHFFFAOYSA-N 1 2 254.171 3.335 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1ccc(C)cc1 ZINC000052440572 622890078 /nfs/dbraw/zinc/89/00/78/622890078.db2.gz LTIVFCMYYNKGBY-UHFFFAOYSA-N 1 2 254.171 3.335 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000171352993 623152611 /nfs/dbraw/zinc/15/26/11/623152611.db2.gz ZINOXGRMNGZXOU-GFCCVEGCSA-N 1 2 288.819 3.070 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000171352993 623152614 /nfs/dbraw/zinc/15/26/14/623152614.db2.gz ZINOXGRMNGZXOU-GFCCVEGCSA-N 1 2 288.819 3.070 20 30 CGEDLO CCOC(=O)C(C)(C)O[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000835005994 623853895 /nfs/dbraw/zinc/85/38/95/623853895.db2.gz KSJIGCYBQAXGFX-UHFFFAOYSA-N 1 2 298.770 3.005 20 30 CGEDLO C=CC[N@@H+](Cn1c2ccccc2n(CCC)c1=O)C(C)C ZINC000917481597 624273693 /nfs/dbraw/zinc/27/36/93/624273693.db2.gz QUGDBIQNTFNEBZ-UHFFFAOYSA-N 1 2 287.407 3.067 20 30 CGEDLO C=CC[N@H+](Cn1c2ccccc2n(CCC)c1=O)C(C)C ZINC000917481597 624273694 /nfs/dbraw/zinc/27/36/94/624273694.db2.gz QUGDBIQNTFNEBZ-UHFFFAOYSA-N 1 2 287.407 3.067 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000154496226 624307021 /nfs/dbraw/zinc/30/70/21/624307021.db2.gz YWGABOCDNZIGJC-UHFFFAOYSA-N 1 2 288.753 3.358 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Cl)nc1 ZINC000154496226 624307024 /nfs/dbraw/zinc/30/70/24/624307024.db2.gz YWGABOCDNZIGJC-UHFFFAOYSA-N 1 2 288.753 3.358 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Cl)nc1 ZINC000180319744 624737203 /nfs/dbraw/zinc/73/72/03/624737203.db2.gz JCFSIBKYGQYACO-AATRIKPKSA-N 1 2 283.718 3.279 20 30 CGEDLO N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000839084466 626311615 /nfs/dbraw/zinc/31/16/15/626311615.db2.gz LZQKXEPOBYJUFN-GOEBONIOSA-N 1 2 295.342 3.111 20 30 CGEDLO C[C@H]([NH2+]CCCCC#N)c1cc(F)cc(F)c1O ZINC000756537042 626713205 /nfs/dbraw/zinc/71/32/05/626713205.db2.gz XLUGBUMUQWMBSS-VIFPVBQESA-N 1 2 254.280 3.015 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccccc1 ZINC000756997861 626746205 /nfs/dbraw/zinc/74/62/05/626746205.db2.gz OWBCDFHWBITMCB-OAHLLOKOSA-N 1 2 286.400 3.144 20 30 CGEDLO CC(C)(C/[NH+]=C\c1ccccc1O)[C@@H]1CCCCO1 ZINC000758359060 626839013 /nfs/dbraw/zinc/83/90/13/626839013.db2.gz NILHYVKEPMRBLO-ZCQLHAAUSA-N 1 2 261.365 3.406 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnc(C)s1 ZINC000761259360 627029119 /nfs/dbraw/zinc/02/91/19/627029119.db2.gz RRDRQHYSCKGXSG-UHFFFAOYSA-N 1 2 282.372 3.258 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1CC1 ZINC000763949448 627186604 /nfs/dbraw/zinc/18/66/04/627186604.db2.gz LNBBEZDFBRVBDB-UHFFFAOYSA-N 1 2 284.403 3.020 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1CC1 ZINC000763949448 627186607 /nfs/dbraw/zinc/18/66/07/627186607.db2.gz LNBBEZDFBRVBDB-UHFFFAOYSA-N 1 2 284.403 3.020 20 30 CGEDLO CCc1cnccc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000765575845 627260367 /nfs/dbraw/zinc/26/03/67/627260367.db2.gz JEBNSLLVESAEBP-UHFFFAOYSA-N 1 2 290.370 3.450 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000768155327 627463605 /nfs/dbraw/zinc/46/36/05/627463605.db2.gz YUMZCVJYFXXWOW-UHFFFAOYSA-N 1 2 266.772 3.417 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1c(O)cccc1Cl ZINC000768155327 627463607 /nfs/dbraw/zinc/46/36/07/627463607.db2.gz YUMZCVJYFXXWOW-UHFFFAOYSA-N 1 2 266.772 3.417 20 30 CGEDLO COc1cccc2c1C/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769608413 627569380 /nfs/dbraw/zinc/56/93/80/627569380.db2.gz BLXNRVQFIANGEI-BENRWUELSA-N 1 2 290.322 3.165 20 30 CGEDLO C[C@H](OC(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)cc1 ZINC000770082911 627602751 /nfs/dbraw/zinc/60/27/51/627602751.db2.gz IDFCJMQUDZEAAH-LBPRGKRZSA-N 1 2 291.310 3.124 20 30 CGEDLO Cc1ccc2[nH+]cc(CN=Nc3nccnc3C(C)C)n2c1 ZINC000773090958 627855076 /nfs/dbraw/zinc/85/50/76/627855076.db2.gz LEEWKDJTFBDWLV-UHFFFAOYSA-N 1 2 294.362 3.002 20 30 CGEDLO CC1(C)CCCC[C@H]1NN=Cc1cccc2[nH+]ccn21 ZINC000773122582 627859271 /nfs/dbraw/zinc/85/92/71/627859271.db2.gz AIDOKXFPYIWMLE-CQSZACIVSA-N 1 2 270.380 3.227 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCC[C@@H]2OC)c(O)c1 ZINC000774542563 628004367 /nfs/dbraw/zinc/00/43/67/628004367.db2.gz PEZQYRBGYWPKGV-FVDGXZRGSA-N 1 2 277.364 3.025 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)[C@H]1CCCO1 ZINC000775571751 628108247 /nfs/dbraw/zinc/10/82/47/628108247.db2.gz KYHWDEDTZCMBFT-SGMGOOAPSA-N 1 2 278.421 3.098 20 30 CGEDLO C#CCOc1cccc(Cl)c1CNc1cccc[nH+]1 ZINC000777732115 628297066 /nfs/dbraw/zinc/29/70/66/628297066.db2.gz IXWUHIZATDERFO-UHFFFAOYSA-N 1 2 272.735 3.359 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccco1 ZINC000778150435 628328511 /nfs/dbraw/zinc/32/85/11/628328511.db2.gz AYDUXDVUDWUGFF-UHFFFAOYSA-N 1 2 275.735 3.235 20 30 CGEDLO C=CCC[C@H](C(=O)OCc1c[nH+]cn1C)c1ccccc1 ZINC000778656743 628363742 /nfs/dbraw/zinc/36/37/42/628363742.db2.gz CCSGJZGCJRRBHF-INIZCTEOSA-N 1 2 284.359 3.213 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000781902228 628604166 /nfs/dbraw/zinc/60/41/66/628604166.db2.gz ORUGEWLSLNSHIE-SNVBAGLBSA-N 1 2 297.196 3.055 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000781902228 628604169 /nfs/dbraw/zinc/60/41/69/628604169.db2.gz ORUGEWLSLNSHIE-SNVBAGLBSA-N 1 2 297.196 3.055 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000783686016 628739842 /nfs/dbraw/zinc/73/98/42/628739842.db2.gz UQVZZTKSSUDSCR-XNMUIVTDSA-N 1 2 291.391 3.415 20 30 CGEDLO C#CCn1cc(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)cn1 ZINC000787886019 629033877 /nfs/dbraw/zinc/03/38/77/629033877.db2.gz KMAFPUGDBJDBLT-UHFFFAOYSA-N 1 2 297.406 3.165 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792882227 629390541 /nfs/dbraw/zinc/39/05/41/629390541.db2.gz SKLRXLXTZLPOOQ-GFCCVEGCSA-N 1 2 291.307 3.044 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792882227 629390549 /nfs/dbraw/zinc/39/05/49/629390549.db2.gz SKLRXLXTZLPOOQ-GFCCVEGCSA-N 1 2 291.307 3.044 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2c(cc1O)CCCC2 ZINC000793575040 629485821 /nfs/dbraw/zinc/48/58/21/629485821.db2.gz RTGCRUVQGIUWTL-UHFFFAOYSA-N 1 2 270.376 3.173 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2c(cc1O)CCCC2 ZINC000793575040 629485824 /nfs/dbraw/zinc/48/58/24/629485824.db2.gz RTGCRUVQGIUWTL-UHFFFAOYSA-N 1 2 270.376 3.173 20 30 CGEDLO Oc1ccc(F)c(C=NNc2cc[nH+]c3ccccc23)c1F ZINC000794507335 629548256 /nfs/dbraw/zinc/54/82/56/629548256.db2.gz ISDOFJDXYQMZJP-UHFFFAOYSA-N 1 2 299.280 3.087 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccnc(F)c3)n2c1 ZINC000794722741 629572503 /nfs/dbraw/zinc/57/25/03/629572503.db2.gz UEGKFNWORHCSPD-ONEGZZNKSA-N 1 2 281.290 3.073 20 30 CGEDLO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(C#N)cc1F ZINC000794838012 629586048 /nfs/dbraw/zinc/58/60/48/629586048.db2.gz WTVISLGTHIJNOB-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000796640942 629808941 /nfs/dbraw/zinc/80/89/41/629808941.db2.gz MILKEKWEEKTGLF-UHFFFAOYSA-N 1 2 270.763 3.370 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)n1 ZINC000796640942 629808943 /nfs/dbraw/zinc/80/89/43/629808943.db2.gz MILKEKWEEKTGLF-UHFFFAOYSA-N 1 2 270.763 3.370 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000797605134 629968223 /nfs/dbraw/zinc/96/82/23/629968223.db2.gz JDBNEFWHGZITKG-UHFFFAOYSA-N 1 2 272.320 3.129 20 30 CGEDLO Oc1ccc(/C=[NH+]\CCCCc2ccccc2)c(O)c1O ZINC000798068268 630019048 /nfs/dbraw/zinc/01/90/48/630019048.db2.gz DYOCIBKOBOSQBP-PDGQHHTCSA-N 1 2 285.343 3.245 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(Cl)nc1 ZINC000125753992 634782617 /nfs/dbraw/zinc/78/26/17/634782617.db2.gz NJZGCFITQQAVHR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(Cl)nc1 ZINC000125753992 634782626 /nfs/dbraw/zinc/78/26/26/634782626.db2.gz NJZGCFITQQAVHR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[C@@H](C(=O)OCC#CC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000798888811 630111945 /nfs/dbraw/zinc/11/19/45/630111945.db2.gz UIZPMWYJWQFJEY-HNNXBMFYSA-N 1 2 299.414 3.026 20 30 CGEDLO C[C@@H](C(=O)OCC#CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000798888811 630111949 /nfs/dbraw/zinc/11/19/49/630111949.db2.gz UIZPMWYJWQFJEY-HNNXBMFYSA-N 1 2 299.414 3.026 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000865471128 630138243 /nfs/dbraw/zinc/13/82/43/630138243.db2.gz KWVCTPYZXVVNNO-UHFFFAOYSA-N 1 2 276.163 3.199 20 30 CGEDLO Cn1cc(CCC/[NH+]=C/c2c(O)ccc3ccccc32)cn1 ZINC000102598360 634799427 /nfs/dbraw/zinc/79/94/27/634799427.db2.gz GFEXVQQWUTWHPT-XDHOZWIPSA-N 1 2 293.370 3.331 20 30 CGEDLO NC(=[NH+]OCc1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000836841986 634813160 /nfs/dbraw/zinc/81/31/60/634813160.db2.gz HXIGSCUQDZKZLE-UHFFFAOYSA-N 1 2 296.704 3.455 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@H]2CCCSC2)c(O)c1 ZINC000806550789 630565452 /nfs/dbraw/zinc/56/54/52/630565452.db2.gz FNVFRBGEUUHSQX-YUSFRKCESA-N 1 2 279.405 3.353 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCCSC2)c1O ZINC000806550840 630565536 /nfs/dbraw/zinc/56/55/36/630565536.db2.gz GYYKHBXIQDYOLC-HMHNVIDESA-N 1 2 279.405 3.353 20 30 CGEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000809572947 630752243 /nfs/dbraw/zinc/75/22/43/630752243.db2.gz WWTUOJWBRDLCGS-BXUZGUMPSA-N 1 2 299.201 3.405 20 30 CGEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000809572947 630752247 /nfs/dbraw/zinc/75/22/47/630752247.db2.gz WWTUOJWBRDLCGS-BXUZGUMPSA-N 1 2 299.201 3.405 20 30 CGEDLO C#CC[N@H+](Cc1ccns1)[C@H]1CCc2ccccc21 ZINC000876513722 634849791 /nfs/dbraw/zinc/84/97/91/634849791.db2.gz PBCVVVGUFQSIQG-INIZCTEOSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1ccns1)[C@H]1CCc2ccccc21 ZINC000876513722 634849793 /nfs/dbraw/zinc/84/97/93/634849793.db2.gz PBCVVVGUFQSIQG-INIZCTEOSA-N 1 2 268.385 3.266 20 30 CGEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1cc(N)ccc1F ZINC000814786289 631638753 /nfs/dbraw/zinc/63/87/53/631638753.db2.gz CPZLWWDBAOXRNY-UHFFFAOYSA-N 1 2 268.295 3.116 20 30 CGEDLO CC(=[NH+]Nc1ccccc1F)c1cc([N+](=O)[O-])ccc1N ZINC000814789603 631639945 /nfs/dbraw/zinc/63/99/45/631639945.db2.gz KLNJVBHCAVHBSJ-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO CCC(=[NH+]Nc1cccc(C(=O)OC)c1)c1cccc(N)c1 ZINC000814900867 631671340 /nfs/dbraw/zinc/67/13/40/631671340.db2.gz LVFKIFUNXKDPDX-UHFFFAOYSA-N 1 2 297.358 3.282 20 30 CGEDLO CC(C)CSCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866310253 633076649 /nfs/dbraw/zinc/07/66/49/633076649.db2.gz LZODATHXAFZMLY-GFCCVEGCSA-N 1 2 278.421 3.304 20 30 CGEDLO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866363319 633102487 /nfs/dbraw/zinc/10/24/87/633102487.db2.gz IXSYAJKGBFXAGV-UONOGXRCSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(C#N)c1O ZINC000866374275 633109238 /nfs/dbraw/zinc/10/92/38/633109238.db2.gz BGKLOLSFHSLHOP-ZLKJLUDKSA-N 1 2 262.328 3.195 20 30 CGEDLO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866385968 633114931 /nfs/dbraw/zinc/11/49/31/633114931.db2.gz USZLICHGCPIFMR-SWLSCSKDSA-N 1 2 288.391 3.120 20 30 CGEDLO C=CC(C)(C)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824790070 633291915 /nfs/dbraw/zinc/29/19/15/633291915.db2.gz LBFDRHFQYXKVDE-UHFFFAOYSA-N 1 2 257.736 3.487 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000872140033 634063484 /nfs/dbraw/zinc/06/34/84/634063484.db2.gz VZAYYSLLZGHWOZ-FVQBIDKESA-N 1 2 286.423 3.208 20 30 CGEDLO CC1(C)CCCCCC1=NNCCCn1cc[nH+]c1 ZINC000872388124 634129538 /nfs/dbraw/zinc/12/95/38/634129538.db2.gz XSMDXCYPIYBTPV-UHFFFAOYSA-N 1 2 262.401 3.209 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccco1 ZINC000834830271 634250686 /nfs/dbraw/zinc/25/06/86/634250686.db2.gz BDEAWVFOTYYOBV-QWHCGFSZSA-N 1 2 257.337 3.218 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835028329 634325768 /nfs/dbraw/zinc/32/57/68/634325768.db2.gz MHIAWWZLKCTEMX-MBVDDHJVSA-N 1 2 283.419 3.390 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835028329 634325773 /nfs/dbraw/zinc/32/57/73/634325773.db2.gz MHIAWWZLKCTEMX-MBVDDHJVSA-N 1 2 283.419 3.390 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1ccc(Cl)nn1)c1ccccc1 ZINC000877116155 634988467 /nfs/dbraw/zinc/98/84/67/634988467.db2.gz KGUYVJZZMBMPDV-AWEZNQCLSA-N 1 2 286.766 3.265 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]Cc1cccc(Br)c1O ZINC000877478749 635052304 /nfs/dbraw/zinc/05/23/04/635052304.db2.gz LOVAGLIYNSHJKZ-JTQLQIEISA-N 1 2 297.196 3.184 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)n1 ZINC000877712182 635161051 /nfs/dbraw/zinc/16/10/51/635161051.db2.gz GXKXZQDWRNFJDX-GOSISDBHSA-N 1 2 295.361 3.414 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)n1 ZINC000877712182 635161060 /nfs/dbraw/zinc/16/10/60/635161060.db2.gz GXKXZQDWRNFJDX-GOSISDBHSA-N 1 2 295.361 3.414 20 30 CGEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2CCC(F)(F)C2)ccc1F ZINC000842022889 635257377 /nfs/dbraw/zinc/25/73/77/635257377.db2.gz PNMRDFJQYIAUPZ-SNVBAGLBSA-N 1 2 286.297 3.206 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1Cl ZINC000879308822 635752411 /nfs/dbraw/zinc/75/24/11/635752411.db2.gz INBWIQBSFNMHCS-DGCLKSJQSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1Cl ZINC000879308822 635752416 /nfs/dbraw/zinc/75/24/16/635752416.db2.gz INBWIQBSFNMHCS-DGCLKSJQSA-N 1 2 263.772 3.168 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880066635 635907766 /nfs/dbraw/zinc/90/77/66/635907766.db2.gz HZSWYEVPEVCCNN-DZGCQCFKSA-N 1 2 297.320 3.080 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880066635 635907769 /nfs/dbraw/zinc/90/77/69/635907769.db2.gz HZSWYEVPEVCCNN-DZGCQCFKSA-N 1 2 297.320 3.080 20 30 CGEDLO COCC1(C/[NH+]=C\c2c(O)ccc3ccccc32)CC1 ZINC000846757365 636231534 /nfs/dbraw/zinc/23/15/34/636231534.db2.gz YADUTTVBNKPTOM-ZDLGFXPLSA-N 1 2 269.344 3.391 20 30 CGEDLO c1cn(CCCNN=C2CC[C@@H](Cc3ccccc3)C2)c[nH+]1 ZINC000848416448 636571619 /nfs/dbraw/zinc/57/16/19/636571619.db2.gz LMVZBJQWRXZRCM-KRWDZBQOSA-N 1 2 296.418 3.262 20 30 CGEDLO CC(C)[C@@H]1CCC(N=NCCCn2cc[nH+]c2)C[C@H]1C ZINC000848419199 636572256 /nfs/dbraw/zinc/57/22/56/636572256.db2.gz VSZKSJKGAXFCGU-ZBFHGGJFSA-N 1 2 276.428 3.311 20 30 CGEDLO CC1(C)C(=NNCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000848418240 636572875 /nfs/dbraw/zinc/57/28/75/636572875.db2.gz KHAZUGZMHRUOEM-INIZCTEOSA-N 1 2 296.418 3.433 20 30 CGEDLO CC(C)CC[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848418735 636572940 /nfs/dbraw/zinc/57/29/40/636572940.db2.gz SADPXEBFAMDEKA-HNNXBMFYSA-N 1 2 276.428 3.455 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1c(F)c(F)c(F)c(F)c1F ZINC000852098406 637593011 /nfs/dbraw/zinc/59/30/11/637593011.db2.gz MECIOQILODQMQD-CYBMUJFWSA-N 1 2 277.236 3.274 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(-c2ccccc2C)no1 ZINC000852102879 637597806 /nfs/dbraw/zinc/59/78/06/637597806.db2.gz SCHIMHPYTDIEHU-DYVFJYSZSA-N 1 2 283.375 3.498 20 30 CGEDLO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000886719842 637671707 /nfs/dbraw/zinc/67/17/07/637671707.db2.gz JHGVKYOQMUNWOC-TZMCWYRMSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1[nH+]cc(C=NNc2c(C)cc(C)cc2C)n1C ZINC000853312269 637807336 /nfs/dbraw/zinc/80/73/36/637807336.db2.gz OFNIMNZHLPTWCU-UHFFFAOYSA-N 1 2 256.353 3.100 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCSC1 ZINC000853406584 637837808 /nfs/dbraw/zinc/83/78/08/637837808.db2.gz KOMOIMBDRTZORP-CYBMUJFWSA-N 1 2 276.405 3.181 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@@H](CC)C1 ZINC000853698636 637895695 /nfs/dbraw/zinc/89/56/95/637895695.db2.gz ZMFRUFGUAZXZGE-CABCVRRESA-N 1 2 288.391 3.243 20 30 CGEDLO CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925043906 638440697 /nfs/dbraw/zinc/44/06/97/638440697.db2.gz DYZFBKSAFJJJOP-PVUWLOKVSA-N 1 2 290.407 3.102 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925422494 638502096 /nfs/dbraw/zinc/50/20/96/638502096.db2.gz YXPOWFAQLWXZIS-OAHLLOKOSA-N 1 2 296.370 3.162 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccncc1C)c1cccc(C#N)c1O ZINC000925627993 638549333 /nfs/dbraw/zinc/54/93/33/638549333.db2.gz CXCDYLVMIKNENE-QGZVFWFLSA-N 1 2 295.386 3.251 20 30 CGEDLO CCCCCCCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857886798 638593066 /nfs/dbraw/zinc/59/30/66/638593066.db2.gz DTIWNFIPBDTSAA-HNNXBMFYSA-N 1 2 291.439 3.455 20 30 CGEDLO CCCCCCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000858110448 638630497 /nfs/dbraw/zinc/63/04/97/638630497.db2.gz CHTZKRHXGBWDFA-UHFFFAOYSA-N 1 2 288.395 3.104 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1cccc(C#N)c1O ZINC000926506287 638779269 /nfs/dbraw/zinc/77/92/69/638779269.db2.gz PPWCBYCRRIHACE-MRXNPFEDSA-N 1 2 281.359 3.208 20 30 CGEDLO CC[C@@H]([NH2+]C1CCC(OC)CC1)c1cccc(C#N)c1O ZINC000926570558 638786369 /nfs/dbraw/zinc/78/63/69/638786369.db2.gz LSQSXZRXCPKYTH-ZBCRRDGASA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926706333 638801332 /nfs/dbraw/zinc/80/13/32/638801332.db2.gz TTXRQPYKACHBKX-OCCSQVGLSA-N 1 2 280.318 3.350 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)F)c1cccc(C#N)c1O ZINC000926780344 638810422 /nfs/dbraw/zinc/81/04/22/638810422.db2.gz NDVRZXUPGLLKPG-GFCCVEGCSA-N 1 2 250.317 3.053 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927081957 638839310 /nfs/dbraw/zinc/83/93/10/638839310.db2.gz UXVCTMUPMGFSPG-QGZVFWFLSA-N 1 2 287.407 3.087 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccccc2)o1)C[C@@H](C)C#N ZINC000929429737 638924880 /nfs/dbraw/zinc/92/48/80/638924880.db2.gz POBZDGOIWQLPHF-ZDUSSCGKSA-N 1 2 269.348 3.323 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccccc2)o1)C[C@@H](C)C#N ZINC000929429737 638924882 /nfs/dbraw/zinc/92/48/82/638924882.db2.gz POBZDGOIWQLPHF-ZDUSSCGKSA-N 1 2 269.348 3.323 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929473862 638927220 /nfs/dbraw/zinc/92/72/20/638927220.db2.gz GMEREEBYOTZUNH-MRVWCRGKSA-N 1 2 264.319 3.127 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929473862 638927221 /nfs/dbraw/zinc/92/72/21/638927221.db2.gz GMEREEBYOTZUNH-MRVWCRGKSA-N 1 2 264.319 3.127 20 30 CGEDLO N#CC1(CCCC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC000929694616 638941984 /nfs/dbraw/zinc/94/19/84/638941984.db2.gz UYDNOIFSGPSMBW-GFCCVEGCSA-N 1 2 290.329 3.114 20 30 CGEDLO N#CC1(CCCC[N@H+]2CCO[C@@H](C(F)(F)F)C2)CCC1 ZINC000929694616 638941986 /nfs/dbraw/zinc/94/19/86/638941986.db2.gz UYDNOIFSGPSMBW-GFCCVEGCSA-N 1 2 290.329 3.114 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC2(CCC2)O1 ZINC000930824289 639073570 /nfs/dbraw/zinc/07/35/70/639073570.db2.gz COBHNXAEWJLULB-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC2(CCC2)O1 ZINC000930824289 639073574 /nfs/dbraw/zinc/07/35/74/639073574.db2.gz COBHNXAEWJLULB-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[C@H]1C#N ZINC000931477567 639157974 /nfs/dbraw/zinc/15/79/74/639157974.db2.gz YQQIBVWHKJOBHR-DZGCQCFKSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[C@H]1C#N ZINC000931477567 639157977 /nfs/dbraw/zinc/15/79/77/639157977.db2.gz YQQIBVWHKJOBHR-DZGCQCFKSA-N 1 2 273.767 3.336 20 30 CGEDLO CC[C@H](OCC[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932152883 639276230 /nfs/dbraw/zinc/27/62/30/639276230.db2.gz UZCYVWSVRFUPLT-RDJZCZTQSA-N 1 2 272.392 3.390 20 30 CGEDLO CC[C@H](OCC[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932152883 639276238 /nfs/dbraw/zinc/27/62/38/639276238.db2.gz UZCYVWSVRFUPLT-RDJZCZTQSA-N 1 2 272.392 3.390 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014547411 640974275 /nfs/dbraw/zinc/97/42/75/640974275.db2.gz YRKNUHCQTWJGKW-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014547411 640974276 /nfs/dbraw/zinc/97/42/76/640974276.db2.gz YRKNUHCQTWJGKW-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016361906 640996738 /nfs/dbraw/zinc/99/67/38/640996738.db2.gz ISEDQCXZHBMMSU-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016361906 640996741 /nfs/dbraw/zinc/99/67/41/640996741.db2.gz ISEDQCXZHBMMSU-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO CCOC(=O)/C=C/c1ccc[nH+]c1N[C@H]1CC[C@H](C#N)CC1 ZINC001157050537 805770334 /nfs/dbraw/zinc/77/03/34/805770334.db2.gz SMLLRBHNVSCNBM-SIHLOVLCSA-N 1 2 299.374 3.152 20 30 CGEDLO C=C(C)C(=O)OCCNc1cc(-c2ccccc2)cc[nH+]1 ZINC001157304274 805795362 /nfs/dbraw/zinc/79/53/62/805795362.db2.gz HPTVXRYIOYTBLD-UHFFFAOYSA-N 1 2 282.343 3.280 20 30 CGEDLO C=C[C@](C)(O)C[NH2+][C@](CC)(CCCCCC)C(=O)OCC ZINC001252584814 806074918 /nfs/dbraw/zinc/07/49/18/806074918.db2.gz GGEHNWZTMIDRFK-DLBZAZTESA-N 1 2 299.455 3.195 20 30 CGEDLO C=C(C)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160350679 806259675 /nfs/dbraw/zinc/25/96/75/806259675.db2.gz OQGZWILIYRTUEN-ZDUSSCGKSA-N 1 2 268.307 3.008 20 30 CGEDLO COC(=O)c1ccc2cc[nH+]c(NCC#CC(C)(C)C)c2c1 ZINC001160392662 806266900 /nfs/dbraw/zinc/26/69/00/806266900.db2.gz DWBZZMBWBHBXKY-UHFFFAOYSA-N 1 2 296.370 3.483 20 30 CGEDLO N#Cc1cncc(CNc2cc3ccccc3c[nH+]2)c1 ZINC001160993095 806334825 /nfs/dbraw/zinc/33/48/25/806334825.db2.gz UGPWWNNZHZJVJH-UHFFFAOYSA-N 1 2 260.300 3.114 20 30 CGEDLO CC(C)c1nc(CNc2cc(CC#N)cc[nH+]2)cs1 ZINC001254970036 806521261 /nfs/dbraw/zinc/52/12/61/806521261.db2.gz CUPOPWOIIPRPHO-UHFFFAOYSA-N 1 2 272.377 3.340 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001255162123 806560267 /nfs/dbraw/zinc/56/02/67/806560267.db2.gz IAAPMFZTRLFIQR-WCQYABFASA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001255176222 806571034 /nfs/dbraw/zinc/57/10/34/806571034.db2.gz YMVFSNUTCJHDIJ-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001255176222 806571041 /nfs/dbraw/zinc/57/10/41/806571041.db2.gz YMVFSNUTCJHDIJ-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc4nccn4c3)c2c1 ZINC001163136738 806705114 /nfs/dbraw/zinc/70/51/14/806705114.db2.gz OFCAUNQVPJGUKY-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)c(F)c1 ZINC000122265345 798990875 /nfs/dbraw/zinc/99/08/75/798990875.db2.gz ZFKRRWJKRRDMQA-SNVBAGLBSA-N 1 2 250.317 3.035 20 30 CGEDLO C=CCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000707956600 799982361 /nfs/dbraw/zinc/98/23/61/799982361.db2.gz MTMJWAZOUHETIO-UHFFFAOYSA-N 1 2 252.155 3.341 20 30 CGEDLO C=CCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000707956600 799982365 /nfs/dbraw/zinc/98/23/65/799982365.db2.gz MTMJWAZOUHETIO-UHFFFAOYSA-N 1 2 252.155 3.341 20 30 CGEDLO CC[N@H+](CCC#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809544414 800442780 /nfs/dbraw/zinc/44/27/80/800442780.db2.gz ITALLOBVRZWBFP-UHFFFAOYSA-N 1 2 297.443 3.258 20 30 CGEDLO CC[N@@H+](CCC#N)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809544414 800442781 /nfs/dbraw/zinc/44/27/81/800442781.db2.gz ITALLOBVRZWBFP-UHFFFAOYSA-N 1 2 297.443 3.258 20 30 CGEDLO Oc1ccc(/C=[NH+]\CC[C@@H]2CCc3ccccc32)c(O)c1O ZINC000840707133 800498394 /nfs/dbraw/zinc/49/83/94/800498394.db2.gz NQYJVRDKCXVQRH-JFENUBAZSA-N 1 2 297.354 3.342 20 30 CGEDLO CCNc1cc(CNc2cccc(F)c2C#N)cc[nH+]1 ZINC001163861461 806839546 /nfs/dbraw/zinc/83/95/46/806839546.db2.gz RNEAFSGNSKPHGG-UHFFFAOYSA-N 1 2 270.311 3.136 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641458 800733168 /nfs/dbraw/zinc/73/31/68/800733168.db2.gz IKNLPQWWVNYTLR-QLFBSQMISA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641458 800733173 /nfs/dbraw/zinc/73/31/73/800733173.db2.gz IKNLPQWWVNYTLR-QLFBSQMISA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027786933 800819842 /nfs/dbraw/zinc/81/98/42/800819842.db2.gz AQPCDRPAKMEPAC-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027786933 800819847 /nfs/dbraw/zinc/81/98/47/800819847.db2.gz AQPCDRPAKMEPAC-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028122309 800831117 /nfs/dbraw/zinc/83/11/17/800831117.db2.gz GKUASKQYDCJJAC-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028122309 800831124 /nfs/dbraw/zinc/83/11/24/800831124.db2.gz GKUASKQYDCJJAC-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270509 800837819 /nfs/dbraw/zinc/83/78/19/800837819.db2.gz LREOOPIKDGLSOT-BPLDGKMQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270509 800837826 /nfs/dbraw/zinc/83/78/26/800837826.db2.gz LREOOPIKDGLSOT-BPLDGKMQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001032089182 800918414 /nfs/dbraw/zinc/91/84/14/800918414.db2.gz IOROVLGMPKFAPQ-GJZGRUSLSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccc2C2(C)CC2)C1 ZINC001043838341 801225907 /nfs/dbraw/zinc/22/59/07/801225907.db2.gz OHFVSRKHRWFVAP-UHFFFAOYSA-N 1 2 298.430 3.070 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cscc2C)C1 ZINC001046221781 801303716 /nfs/dbraw/zinc/30/37/16/801303716.db2.gz VKGVTHGQCAKJLH-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cscc2C)C1 ZINC001046221781 801303724 /nfs/dbraw/zinc/30/37/24/801303724.db2.gz VKGVTHGQCAKJLH-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001046297779 801307073 /nfs/dbraw/zinc/30/70/73/801307073.db2.gz HXPSIHWSYNGSTI-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001046297779 801307077 /nfs/dbraw/zinc/30/70/77/801307077.db2.gz HXPSIHWSYNGSTI-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO N#CCc1ccc[nH+]c1NCCSCc1ccco1 ZINC001164215935 806917132 /nfs/dbraw/zinc/91/71/32/806917132.db2.gz PGTIYROTCNNFDS-UHFFFAOYSA-N 1 2 273.361 3.086 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccc(F)cc1)C(=O)OCC ZINC001116775657 802408943 /nfs/dbraw/zinc/40/89/43/802408943.db2.gz POGZFASGIFLYET-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116919744 802428770 /nfs/dbraw/zinc/42/87/70/802428770.db2.gz REYIWKHCANLDSE-CYBMUJFWSA-N 1 2 269.348 3.201 20 30 CGEDLO C#CC1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC001118126131 802527945 /nfs/dbraw/zinc/52/79/45/802527945.db2.gz HHESCAANIHVLAV-UHFFFAOYSA-N 1 2 250.345 3.393 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCCCc3ccncc3)c2)CC1 ZINC001165524501 807007194 /nfs/dbraw/zinc/00/71/94/807007194.db2.gz GQOLBYJGWHLFGI-UHFFFAOYSA-N 1 2 278.359 3.076 20 30 CGEDLO CCC1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001256871294 806996420 /nfs/dbraw/zinc/99/64/20/806996420.db2.gz MFPYHUWKBDKZNY-UXUKBGGZSA-N 1 2 265.422 3.229 20 30 CGEDLO CCC1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001256871294 806996421 /nfs/dbraw/zinc/99/64/21/806996421.db2.gz MFPYHUWKBDKZNY-UXUKBGGZSA-N 1 2 265.422 3.229 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132247931 803387045 /nfs/dbraw/zinc/38/70/45/803387045.db2.gz AFGZJDIJYROUGU-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132247931 803387053 /nfs/dbraw/zinc/38/70/53/803387053.db2.gz AFGZJDIJYROUGU-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO N#CCc1cc(-c2c[nH+]cn2Cc2ccccc2)ccn1 ZINC001245198344 803661625 /nfs/dbraw/zinc/66/16/25/803661625.db2.gz BGGXNTFDRRSAEO-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO N#Cc1ccccc1OC1CC[NH+](Cc2cscn2)CC1 ZINC001137597240 803743643 /nfs/dbraw/zinc/74/36/43/803743643.db2.gz VTVNRUDDLIDIOA-UHFFFAOYSA-N 1 2 299.399 3.058 20 30 CGEDLO C#CC1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1 ZINC001137884314 803794570 /nfs/dbraw/zinc/79/45/70/803794570.db2.gz QUGXUCBDSFSYNE-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1cnc(C)nc1 ZINC001138666531 803999667 /nfs/dbraw/zinc/99/96/67/803999667.db2.gz WRKGBHSMUGHOHR-UHFFFAOYSA-N 1 2 297.402 3.372 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cnc(C)nc1 ZINC001138666531 803999672 /nfs/dbraw/zinc/99/96/72/803999672.db2.gz WRKGBHSMUGHOHR-UHFFFAOYSA-N 1 2 297.402 3.372 20 30 CGEDLO CCCOc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001138999275 804104430 /nfs/dbraw/zinc/10/44/30/804104430.db2.gz BCUIKHZOWBHKHN-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001138999275 804104436 /nfs/dbraw/zinc/10/44/36/804104436.db2.gz BCUIKHZOWBHKHN-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)nc1 ZINC001139344698 804179135 /nfs/dbraw/zinc/17/91/35/804179135.db2.gz KTVIQCKCVICCGP-UHFFFAOYSA-N 1 2 286.423 3.198 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)nc1 ZINC001139344698 804179138 /nfs/dbraw/zinc/17/91/38/804179138.db2.gz KTVIQCKCVICCGP-UHFFFAOYSA-N 1 2 286.423 3.198 20 30 CGEDLO C[N@H+](Cc1cccc2c1OCO2)Cc1ccc(C#N)cc1F ZINC001140139220 804387502 /nfs/dbraw/zinc/38/75/02/804387502.db2.gz AJITUIJJYATEDD-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1ccc(C#N)cc1F ZINC001140139220 804387512 /nfs/dbraw/zinc/38/75/12/804387512.db2.gz AJITUIJJYATEDD-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001141154763 804600548 /nfs/dbraw/zinc/60/05/48/804600548.db2.gz LSAVDYFQNPHRJO-UHFFFAOYSA-N 1 2 282.290 3.134 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001141154763 804600553 /nfs/dbraw/zinc/60/05/53/804600553.db2.gz LSAVDYFQNPHRJO-UHFFFAOYSA-N 1 2 282.290 3.134 20 30 CGEDLO C[C@]1(F)CCCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141164139 804601552 /nfs/dbraw/zinc/60/15/52/804601552.db2.gz LMUUBEIORYTPDX-HNNXBMFYSA-N 1 2 264.319 3.411 20 30 CGEDLO C[C@]1(F)CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141164139 804601554 /nfs/dbraw/zinc/60/15/54/804601554.db2.gz LMUUBEIORYTPDX-HNNXBMFYSA-N 1 2 264.319 3.411 20 30 CGEDLO CSc1nc(C[N@@H+]2CCCC[C@@](C)(F)C2)ccc1C#N ZINC001141932292 804680851 /nfs/dbraw/zinc/68/08/51/804680851.db2.gz WNXXQXHMMHKNDY-OAHLLOKOSA-N 1 2 293.411 3.389 20 30 CGEDLO CSc1nc(C[N@H+]2CCCC[C@@](C)(F)C2)ccc1C#N ZINC001141932292 804680854 /nfs/dbraw/zinc/68/08/54/804680854.db2.gz WNXXQXHMMHKNDY-OAHLLOKOSA-N 1 2 293.411 3.389 20 30 CGEDLO CC(=O)C[N@@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972109 804683184 /nfs/dbraw/zinc/68/31/84/804683184.db2.gz BYQCXEYPBXUACP-UHFFFAOYSA-N 1 2 283.396 3.169 20 30 CGEDLO CC(=O)C[N@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972109 804683186 /nfs/dbraw/zinc/68/31/86/804683186.db2.gz BYQCXEYPBXUACP-UHFFFAOYSA-N 1 2 283.396 3.169 20 30 CGEDLO CSc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)s1 ZINC001142020180 804688857 /nfs/dbraw/zinc/68/88/57/804688857.db2.gz AIRABZPHJCDYNB-NSHDSACASA-N 1 2 297.470 3.244 20 30 CGEDLO CSc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)s1 ZINC001142020180 804688859 /nfs/dbraw/zinc/68/88/59/804688859.db2.gz AIRABZPHJCDYNB-NSHDSACASA-N 1 2 297.470 3.244 20 30 CGEDLO C[N@H+](Cc1cscn1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922314 804784440 /nfs/dbraw/zinc/78/44/40/804784440.db2.gz CBJBRCNBQKOWJB-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@@H+](Cc1cscn1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922314 804784446 /nfs/dbraw/zinc/78/44/46/804784446.db2.gz CBJBRCNBQKOWJB-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143394525 804847250 /nfs/dbraw/zinc/84/72/50/804847250.db2.gz FUTSWBBZKBKYKY-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143394525 804847256 /nfs/dbraw/zinc/84/72/56/804847256.db2.gz FUTSWBBZKBKYKY-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143575497 804868127 /nfs/dbraw/zinc/86/81/27/804868127.db2.gz AVVBHWAFVDOTAP-LBPRGKRZSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143575497 804868134 /nfs/dbraw/zinc/86/81/34/804868134.db2.gz AVVBHWAFVDOTAP-LBPRGKRZSA-N 1 2 279.330 3.209 20 30 CGEDLO N#Cc1ccccc1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001250045065 805385338 /nfs/dbraw/zinc/38/53/38/805385338.db2.gz VABHJJLTLDBMPM-UHFFFAOYSA-N 1 2 263.344 3.144 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccccc1OCC#N ZINC001212597245 815082232 /nfs/dbraw/zinc/08/22/32/815082232.db2.gz KDSNUUVQROVPME-UHFFFAOYSA-N 1 2 269.304 3.126 20 30 CGEDLO C#CCCCNc1[nH+]c2ccc(OC)cc2cc1C ZINC001155010965 805522686 /nfs/dbraw/zinc/52/26/86/805522686.db2.gz ZFMAUXHUKFZGOE-UHFFFAOYSA-N 1 2 254.333 3.377 20 30 CGEDLO Cc1nc(N2CCC[C@H](CC#N)C2)cc(C(C)C)[nH+]1 ZINC001166740241 807088313 /nfs/dbraw/zinc/08/83/13/807088313.db2.gz GSMSQFSZWYVKNP-CYBMUJFWSA-N 1 2 258.369 3.039 20 30 CGEDLO Cc1[nH+]c(N(CC#N)Cc2ccccc2)cc2[nH]ccc21 ZINC001166995127 807122844 /nfs/dbraw/zinc/12/28/44/807122844.db2.gz JZNRDFADJSFQRF-UHFFFAOYSA-N 1 2 276.343 3.402 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+]C(C#N)(CC)CC)CC1 ZINC001258030695 807270226 /nfs/dbraw/zinc/27/02/26/807270226.db2.gz WPBFFBMEBMFIJO-UHFFFAOYSA-N 1 2 280.412 3.170 20 30 CGEDLO N#CCCCCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001168436568 807414444 /nfs/dbraw/zinc/41/44/44/807414444.db2.gz PODKBRYFRCOKLD-UHFFFAOYSA-N 1 2 258.300 3.117 20 30 CGEDLO C=CCC[C@@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001258734307 807580800 /nfs/dbraw/zinc/58/08/00/807580800.db2.gz WMPKPABYNIQPTG-NXEZZACHSA-N 1 2 288.317 3.028 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001258734307 807580802 /nfs/dbraw/zinc/58/08/02/807580802.db2.gz WMPKPABYNIQPTG-NXEZZACHSA-N 1 2 288.317 3.028 20 30 CGEDLO CC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258846330 807656720 /nfs/dbraw/zinc/65/67/20/807656720.db2.gz OZVSGIVECMMDIB-CVEARBPZSA-N 1 2 287.428 3.282 20 30 CGEDLO CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258846330 807656723 /nfs/dbraw/zinc/65/67/23/807656723.db2.gz OZVSGIVECMMDIB-CVEARBPZSA-N 1 2 287.428 3.282 20 30 CGEDLO CC1(C)[C@@H]2C[C@H]([N@H+](CCC#N)Cc3cccnc3)C[C@@H]21 ZINC001170737935 807895370 /nfs/dbraw/zinc/89/53/70/807895370.db2.gz DQFWMOLABZCXJY-MUJYYYPQSA-N 1 2 269.392 3.232 20 30 CGEDLO CC1(C)[C@@H]2C[C@H]([N@@H+](CCC#N)Cc3cccnc3)C[C@@H]21 ZINC001170737935 807895377 /nfs/dbraw/zinc/89/53/77/807895377.db2.gz DQFWMOLABZCXJY-MUJYYYPQSA-N 1 2 269.392 3.232 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388205 808042231 /nfs/dbraw/zinc/04/22/31/808042231.db2.gz MNJOVYFTADXDTI-RISCZKNCSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388205 808042238 /nfs/dbraw/zinc/04/22/38/808042238.db2.gz MNJOVYFTADXDTI-RISCZKNCSA-N 1 2 276.330 3.058 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC(C)C)C1 ZINC001265307929 808128274 /nfs/dbraw/zinc/12/82/74/808128274.db2.gz ISCSISBRMHBNCG-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C1 ZINC001265307929 808128278 /nfs/dbraw/zinc/12/82/78/808128278.db2.gz ISCSISBRMHBNCG-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001265312918 808130216 /nfs/dbraw/zinc/13/02/16/808130216.db2.gz XJDAHGMCVVGTLZ-OCCSQVGLSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001265312918 808130221 /nfs/dbraw/zinc/13/02/21/808130221.db2.gz XJDAHGMCVVGTLZ-OCCSQVGLSA-N 1 2 286.847 3.002 20 30 CGEDLO CCCCCCC[C@H](CC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001172347714 808247376 /nfs/dbraw/zinc/24/73/76/808247376.db2.gz YBNXCWDTYYERQM-ILXRZTDVSA-N 1 2 287.444 3.028 20 30 CGEDLO COc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1C#N ZINC001213032468 815205638 /nfs/dbraw/zinc/20/56/38/815205638.db2.gz HWCIHQZACKWQEX-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO CC[C@@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173041165 808498598 /nfs/dbraw/zinc/49/85/98/808498598.db2.gz BXCMWZOETJFWJF-AWEZNQCLSA-N 1 2 250.386 3.008 20 30 CGEDLO C#Cc1nccnc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381215 808985302 /nfs/dbraw/zinc/98/53/02/808985302.db2.gz BHIHELMMOISJFK-UHFFFAOYSA-N 1 2 277.331 3.132 20 30 CGEDLO N#Cc1cccc(O)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523271 809060583 /nfs/dbraw/zinc/06/05/83/809060583.db2.gz HPBHRIUABZXGSN-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001278438115 809133712 /nfs/dbraw/zinc/13/37/12/809133712.db2.gz OQNXNPMWDQVWJP-XJKSGUPXSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001278438115 809133716 /nfs/dbraw/zinc/13/37/16/809133716.db2.gz OQNXNPMWDQVWJP-XJKSGUPXSA-N 1 2 298.858 3.146 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC001174724913 809143719 /nfs/dbraw/zinc/14/37/19/809143719.db2.gz KVHHCGDUMGFYQC-GFCCVEGCSA-N 1 2 264.328 3.341 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1Cc2ccc(O)cc2C1 ZINC001174724913 809143722 /nfs/dbraw/zinc/14/37/22/809143722.db2.gz KVHHCGDUMGFYQC-GFCCVEGCSA-N 1 2 264.328 3.341 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001279661544 809177062 /nfs/dbraw/zinc/17/70/62/809177062.db2.gz SMCCLBMOGMCCCN-GXTWGEPZSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001279661544 809177065 /nfs/dbraw/zinc/17/70/65/809177065.db2.gz SMCCLBMOGMCCCN-GXTWGEPZSA-N 1 2 298.858 3.169 20 30 CGEDLO C[NH+](C)c1ccc(-n2cc(C#N)c3ccc(N)cc32)cc1 ZINC001174878270 809186710 /nfs/dbraw/zinc/18/67/10/809186710.db2.gz BOQWGSSZCRDNBK-UHFFFAOYSA-N 1 2 276.343 3.150 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CC(C)(C)CC)cc2C1 ZINC001281293236 809208719 /nfs/dbraw/zinc/20/87/19/809208719.db2.gz MYYHBEVRSMFNIC-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CC(C)(C)CC)cc2C1 ZINC001281293236 809208724 /nfs/dbraw/zinc/20/87/24/809208724.db2.gz MYYHBEVRSMFNIC-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCC2CCC2)CC1 ZINC001284898997 809320366 /nfs/dbraw/zinc/32/03/66/809320366.db2.gz AWEJTEHDTRVDJK-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCC2CCC2)CC1 ZINC001284898997 809320374 /nfs/dbraw/zinc/32/03/74/809320374.db2.gz AWEJTEHDTRVDJK-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO N#Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1N ZINC001213431115 815281033 /nfs/dbraw/zinc/28/10/33/815281033.db2.gz DQXBMZDNTMMVOD-UHFFFAOYSA-N 1 2 283.722 3.185 20 30 CGEDLO Cc1nc(C#N)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350189 809373082 /nfs/dbraw/zinc/37/30/82/809373082.db2.gz VFNXCAWLFJUCLM-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C#Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001291586513 809421443 /nfs/dbraw/zinc/42/14/43/809421443.db2.gz ROLPQWNQQHAFEZ-UHFFFAOYSA-N 1 2 287.322 3.106 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3cc(F)cc(C#N)c3)ccc21 ZINC001175684674 809503855 /nfs/dbraw/zinc/50/38/55/809503855.db2.gz LQDOWXNYXLJFSD-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO COc1cc(C#N)c(Nc2c[nH+]c(C)cc2C)cc1OC ZINC001213513378 815294426 /nfs/dbraw/zinc/29/44/26/815294426.db2.gz GRQYVQJXBHMQBE-UHFFFAOYSA-N 1 2 283.331 3.331 20 30 CGEDLO N#CCc1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714795 809517287 /nfs/dbraw/zinc/51/72/87/809517287.db2.gz UWDBNQBJLNTGKH-UHFFFAOYSA-N 1 2 292.264 3.492 20 30 CGEDLO COc1ccc(C#N)c(Nc2c[nH+]cc(C)c2C)c1 ZINC001213532418 815301117 /nfs/dbraw/zinc/30/11/17/815301117.db2.gz HABCMOBLYHJOCU-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(C#N)c(Cl)c1F ZINC001176124397 809629994 /nfs/dbraw/zinc/62/99/94/809629994.db2.gz MNSQTWZSOORYBI-UHFFFAOYSA-N 1 2 277.686 3.498 20 30 CGEDLO CCCCCCCOC(=O)NCCOc1cc[nH+]cc1 ZINC001194019949 811003580 /nfs/dbraw/zinc/00/35/80/811003580.db2.gz KAGZUAUCLQWZAJ-UHFFFAOYSA-N 1 2 280.368 3.157 20 30 CGEDLO CCc1cccc(Nc2ccc(OC)c(C#N)c2)[nH+]1 ZINC001214996965 815473564 /nfs/dbraw/zinc/47/35/64/815473564.db2.gz MFEFJYBXWHEEBF-UHFFFAOYSA-N 1 2 253.305 3.268 20 30 CGEDLO CCCC[C@H](CC)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201559429 811902915 /nfs/dbraw/zinc/90/29/15/811902915.db2.gz JSDQJGGJMSCYLV-JSGCOSHPSA-N 1 2 267.438 3.477 20 30 CGEDLO CCCC[C@H](CC)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201559429 811902922 /nfs/dbraw/zinc/90/29/22/811902922.db2.gz JSDQJGGJMSCYLV-JSGCOSHPSA-N 1 2 267.438 3.477 20 30 CGEDLO CCCCCCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201804884 811966964 /nfs/dbraw/zinc/96/69/64/811966964.db2.gz WFHZQHIUSKXXEG-ZDUSSCGKSA-N 1 2 263.372 3.439 20 30 CGEDLO CCCCCCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201804884 811966972 /nfs/dbraw/zinc/96/69/72/811966972.db2.gz WFHZQHIUSKXXEG-ZDUSSCGKSA-N 1 2 263.372 3.439 20 30 CGEDLO Cc1ccc(Nc2nc3ncccc3cc2C#N)c(C)[nH+]1 ZINC001203368195 812327164 /nfs/dbraw/zinc/32/71/64/812327164.db2.gz VYWZSFJZTAUYGR-UHFFFAOYSA-N 1 2 275.315 3.257 20 30 CGEDLO CNc1ccc(Nc2cnc(C#N)c(C(F)(F)F)c2)c[nH+]1 ZINC001203449567 812360278 /nfs/dbraw/zinc/36/02/78/812360278.db2.gz JJVVTLXFMOZKOA-UHFFFAOYSA-N 1 2 293.252 3.152 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(F)c(C#N)c2)c[nH+]1 ZINC001203459026 812366618 /nfs/dbraw/zinc/36/66/18/812366618.db2.gz DCHCPYSEFBUFID-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO CNc1ccc(Nc2c(F)cc(C#N)cc2F)c[nH+]1 ZINC001203457808 812367640 /nfs/dbraw/zinc/36/76/40/812367640.db2.gz ASMYZQWCUFIOPL-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C)CC#N ZINC001203522169 812381448 /nfs/dbraw/zinc/38/14/48/812381448.db2.gz PCHFGXAOQMAJMI-NSHDSACASA-N 1 2 288.782 3.226 20 30 CGEDLO COc1ccc(OC)c(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001203527154 812385376 /nfs/dbraw/zinc/38/53/76/812385376.db2.gz KCQRKZPLYXMCIX-UHFFFAOYSA-N 1 2 288.391 3.362 20 30 CGEDLO COc1ccc(OC)c(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001203527154 812385382 /nfs/dbraw/zinc/38/53/82/812385382.db2.gz KCQRKZPLYXMCIX-UHFFFAOYSA-N 1 2 288.391 3.362 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)c(F)c1 ZINC001203796542 812464491 /nfs/dbraw/zinc/46/44/91/812464491.db2.gz XAGFNZOHHNDZFJ-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)c(F)c1 ZINC001203796542 812464495 /nfs/dbraw/zinc/46/44/95/812464495.db2.gz XAGFNZOHHNDZFJ-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(OC)cc(OC)c1 ZINC001203856505 812475131 /nfs/dbraw/zinc/47/51/31/812475131.db2.gz WGASHEXQXOQTNW-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(OC)cc(OC)c1 ZINC001203856505 812475133 /nfs/dbraw/zinc/47/51/33/812475133.db2.gz WGASHEXQXOQTNW-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203904752 812488381 /nfs/dbraw/zinc/48/83/81/812488381.db2.gz FQTWUYHCCQVQRN-UHFFFAOYSA-N 1 2 290.366 3.319 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001203904752 812488384 /nfs/dbraw/zinc/48/83/84/812488384.db2.gz FQTWUYHCCQVQRN-UHFFFAOYSA-N 1 2 290.366 3.319 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC001204224049 812578916 /nfs/dbraw/zinc/57/89/16/812578916.db2.gz OAMMSQZFLCVABD-UHFFFAOYSA-N 1 2 252.308 3.481 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC001204224049 812578919 /nfs/dbraw/zinc/57/89/19/812578919.db2.gz OAMMSQZFLCVABD-UHFFFAOYSA-N 1 2 252.308 3.481 20 30 CGEDLO C=CCOc1ccc(C[NH+]2CC3(C2)CCCCO3)cc1 ZINC001204297610 812603257 /nfs/dbraw/zinc/60/32/57/812603257.db2.gz LNZRLCPJHKPYIP-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO CC(=O)n1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c2ccccc21 ZINC001204413048 812632497 /nfs/dbraw/zinc/63/24/97/812632497.db2.gz YENBTKUDBBLNLY-KRWDZBQOSA-N 1 2 281.359 3.037 20 30 CGEDLO CC(=O)n1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c2ccccc21 ZINC001204413048 812632504 /nfs/dbraw/zinc/63/25/04/812632504.db2.gz YENBTKUDBBLNLY-KRWDZBQOSA-N 1 2 281.359 3.037 20 30 CGEDLO CCCn1cc(C[N@H+](CCC#N)CCC(C)C)c(C)n1 ZINC001204497498 812657844 /nfs/dbraw/zinc/65/78/44/812657844.db2.gz PXJXCCLXDOZGBF-UHFFFAOYSA-N 1 2 276.428 3.363 20 30 CGEDLO CCCn1cc(C[N@@H+](CCC#N)CCC(C)C)c(C)n1 ZINC001204497498 812657848 /nfs/dbraw/zinc/65/78/48/812657848.db2.gz PXJXCCLXDOZGBF-UHFFFAOYSA-N 1 2 276.428 3.363 20 30 CGEDLO C#CC[N@@H+](Cc1ccn(CC)n1)[C@H]1CCc2ccccc21 ZINC001204929716 812781351 /nfs/dbraw/zinc/78/13/51/812781351.db2.gz AHGNBAHLGJEODQ-SFHVURJKSA-N 1 2 279.387 3.026 20 30 CGEDLO C#CC[N@H+](Cc1ccn(CC)n1)[C@H]1CCc2ccccc21 ZINC001204929716 812781354 /nfs/dbraw/zinc/78/13/54/812781354.db2.gz AHGNBAHLGJEODQ-SFHVURJKSA-N 1 2 279.387 3.026 20 30 CGEDLO CC(C)(C)c1noc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204959884 812796862 /nfs/dbraw/zinc/79/68/62/812796862.db2.gz ZEZBJWKSWBRGIC-UHFFFAOYSA-N 1 2 281.319 3.235 20 30 CGEDLO C#Cc1cc(Nc2ccn3cc[nH+]c3c2)ccc1F ZINC001204982635 812807362 /nfs/dbraw/zinc/80/73/62/812807362.db2.gz BHQIRPSJOQZDQX-UHFFFAOYSA-N 1 2 251.264 3.198 20 30 CGEDLO N#Cc1cc(F)cc(F)c1Nc1ccn2cc[nH+]c2c1 ZINC001204997201 812815733 /nfs/dbraw/zinc/81/57/33/812815733.db2.gz GQEQQMUWHMFCLQ-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO N#CCCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001205649061 813039959 /nfs/dbraw/zinc/03/99/59/813039959.db2.gz QSBYZBOYZRBDHU-LLVKDONJSA-N 1 2 299.827 3.081 20 30 CGEDLO N#CCCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001205649061 813039968 /nfs/dbraw/zinc/03/99/68/813039968.db2.gz QSBYZBOYZRBDHU-LLVKDONJSA-N 1 2 299.827 3.081 20 30 CGEDLO C=CCC[C@H]([NH2+]C[C@@H](OC)C1CCCCC1)C(=O)OCC ZINC001205849533 813107284 /nfs/dbraw/zinc/10/72/84/813107284.db2.gz RIYJNYXYZRARBH-JKSUJKDBSA-N 1 2 297.439 3.069 20 30 CGEDLO C=C(C)C[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OC ZINC001207128991 813493036 /nfs/dbraw/zinc/49/30/36/813493036.db2.gz IXSALRBEZYSUOP-ZBFHGGJFSA-N 1 2 275.392 3.278 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314322 813540110 /nfs/dbraw/zinc/54/01/10/813540110.db2.gz VDPPSCBRGIBWQP-CQSZACIVSA-N 1 2 295.427 3.012 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001207314322 813540116 /nfs/dbraw/zinc/54/01/16/813540116.db2.gz VDPPSCBRGIBWQP-CQSZACIVSA-N 1 2 295.427 3.012 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC001207334829 813542792 /nfs/dbraw/zinc/54/27/92/813542792.db2.gz VJIYVDNJCBHKPJ-IKGGRYGDSA-N 1 2 287.403 3.278 20 30 CGEDLO C[C@@H](C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903668 813667093 /nfs/dbraw/zinc/66/70/93/813667093.db2.gz PPNVLAHCRKJWIN-WFASDCNBSA-N 1 2 273.401 3.064 20 30 CGEDLO C[C@@H](C[N@H+]1CC[C@@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903668 813667097 /nfs/dbraw/zinc/66/70/97/813667097.db2.gz PPNVLAHCRKJWIN-WFASDCNBSA-N 1 2 273.401 3.064 20 30 CGEDLO C[C@@H](O)c1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001242647327 823079269 /nfs/dbraw/zinc/07/92/69/823079269.db2.gz DAPGWOSTUUCPEJ-HMHKGCENSA-N 1 2 293.370 3.500 20 30 CGEDLO COc1cc(C#N)ccc1Nc1[nH+]c(C)ccc1C ZINC001209272421 813991685 /nfs/dbraw/zinc/99/16/85/813991685.db2.gz QSRCZDOTOHAPAV-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209759568 814133294 /nfs/dbraw/zinc/13/32/94/814133294.db2.gz QKZHBVIRIXUEFG-UHFFFAOYSA-N 1 2 288.782 3.342 20 30 CGEDLO CC(C)(C)c1noc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209844946 814161579 /nfs/dbraw/zinc/16/15/79/814161579.db2.gz RYFPQGDDXLBNLS-UHFFFAOYSA-N 1 2 281.319 3.464 20 30 CGEDLO COc1cccc(Nc2cccn3cc(C)[nH+]c23)c1C#N ZINC001210121704 814298186 /nfs/dbraw/zinc/29/81/86/814298186.db2.gz GHOPKSVNQIKBQA-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2cn(C3CCC3)c[nH+]2)C1 ZINC001210150825 814313817 /nfs/dbraw/zinc/31/38/17/814313817.db2.gz MSYAANWNZAFTHI-UHFFFAOYSA-N 1 2 259.353 3.293 20 30 CGEDLO C[C@H]1CC(=O)C=C(Nc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001210774785 814621006 /nfs/dbraw/zinc/62/10/06/814621006.db2.gz DVHJNUQSNARHLA-CYBMUJFWSA-N 1 2 281.359 3.226 20 30 CGEDLO C#Cc1cc(Nc2cccc(-c3cccnc3)c2)cc[nH+]1 ZINC001211143360 814837339 /nfs/dbraw/zinc/83/73/39/814837339.db2.gz IENTZQJDXKAGCQ-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC)c(C(C)C)c2)cc[nH+]1 ZINC001216000951 815657527 /nfs/dbraw/zinc/65/75/27/815657527.db2.gz RVTCCIIPZPLWNE-UHFFFAOYSA-N 1 2 266.344 3.360 20 30 CGEDLO CCCCCCCC[C@H](CC)OC[C@H]([NH3+])C(=O)OC ZINC001217898808 815996244 /nfs/dbraw/zinc/99/62/44/815996244.db2.gz XXRWGMIBAKBRJT-KBPBESRZSA-N 1 2 273.417 3.033 20 30 CGEDLO N#Cc1ccc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2c1 ZINC001218006588 816047390 /nfs/dbraw/zinc/04/73/90/816047390.db2.gz MOEMMNXSQQKANR-OAHLLOKOSA-N 1 2 288.297 3.087 20 30 CGEDLO CCC[C@H](C#Cc1ccccc1)Oc1ccc[nH+]c1N ZINC001218438132 816213315 /nfs/dbraw/zinc/21/33/15/816213315.db2.gz FYSRARMBEJTZGO-OAHLLOKOSA-N 1 2 266.344 3.263 20 30 CGEDLO CCOC(=[NH2+])CCCCO[C@@H](C)C#C[Si](C)(C)C ZINC001224968251 816919922 /nfs/dbraw/zinc/91/99/22/816919922.db2.gz YYRUJDHICGBQBT-ZDUSSCGKSA-N 1 2 269.461 3.456 20 30 CGEDLO CC(C)(C)[NH+]1CC(Oc2ccc(C#N)cc2Cl)C1 ZINC001225727765 817159834 /nfs/dbraw/zinc/15/98/34/817159834.db2.gz YVVVKSCOFIMCLT-UHFFFAOYSA-N 1 2 264.756 3.073 20 30 CGEDLO C=CC[C@@H](C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704255 817439439 /nfs/dbraw/zinc/43/94/39/817439439.db2.gz IUJNALJMKGRVCA-CQSZACIVSA-N 1 2 297.402 3.311 20 30 CGEDLO C=CC[C@@H](C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704255 817439442 /nfs/dbraw/zinc/43/94/42/817439442.db2.gz IUJNALJMKGRVCA-CQSZACIVSA-N 1 2 297.402 3.311 20 30 CGEDLO Cc1ccc(C#N)c(OC2C[NH+](Cc3ccccc3)C2)c1 ZINC001226753551 817453034 /nfs/dbraw/zinc/45/30/34/817453034.db2.gz HBHDMMORMVJWKD-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO COc1cc(F)ccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001231600548 818134769 /nfs/dbraw/zinc/13/47/69/818134769.db2.gz QMVPRAUGBPPSSZ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(F)ccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001231600548 818134773 /nfs/dbraw/zinc/13/47/73/818134773.db2.gz QMVPRAUGBPPSSZ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)Oc1ncccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001231760351 818169237 /nfs/dbraw/zinc/16/92/37/818169237.db2.gz ARWHKVJSTNPAKV-UHFFFAOYSA-N 1 2 295.386 3.372 20 30 CGEDLO CC(C)Oc1ncccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001231760351 818169239 /nfs/dbraw/zinc/16/92/39/818169239.db2.gz ARWHKVJSTNPAKV-UHFFFAOYSA-N 1 2 295.386 3.372 20 30 CGEDLO C=CC[NH+]1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC001231810969 818183550 /nfs/dbraw/zinc/18/35/50/818183550.db2.gz BYCSCZVXPOLQIF-UHFFFAOYSA-N 1 2 282.387 3.250 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231857743 818190768 /nfs/dbraw/zinc/19/07/68/818190768.db2.gz SSVYAHDTMMCTPX-UHFFFAOYSA-N 1 2 263.209 3.049 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(C(F)(F)F)c(F)c1F ZINC001231857743 818190769 /nfs/dbraw/zinc/19/07/69/818190769.db2.gz SSVYAHDTMMCTPX-UHFFFAOYSA-N 1 2 263.209 3.049 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1O ZINC001231912352 818208607 /nfs/dbraw/zinc/20/86/07/818208607.db2.gz FMMPXLQAZFFVCU-UOJUARBOSA-N 1 2 276.767 3.312 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1O ZINC001231912352 818208616 /nfs/dbraw/zinc/20/86/16/818208616.db2.gz FMMPXLQAZFFVCU-UOJUARBOSA-N 1 2 276.767 3.312 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1O ZINC001232677956 818417305 /nfs/dbraw/zinc/41/73/05/818417305.db2.gz MJVSEYDNFRJDLJ-UHFFFAOYSA-N 1 2 296.370 3.295 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1O ZINC001232677956 818417309 /nfs/dbraw/zinc/41/73/09/818417309.db2.gz MJVSEYDNFRJDLJ-UHFFFAOYSA-N 1 2 296.370 3.295 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC001232677192 818417876 /nfs/dbraw/zinc/41/78/76/818417876.db2.gz CDKWLUTVMCTHEQ-ZDUSSCGKSA-N 1 2 285.372 3.057 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001232677192 818417880 /nfs/dbraw/zinc/41/78/80/818417880.db2.gz CDKWLUTVMCTHEQ-ZDUSSCGKSA-N 1 2 285.372 3.057 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001233083214 818520559 /nfs/dbraw/zinc/52/05/59/818520559.db2.gz ASAWCAVNQQMFBN-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001233083214 818520565 /nfs/dbraw/zinc/52/05/65/818520565.db2.gz ASAWCAVNQQMFBN-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)c1O ZINC001233401446 818612211 /nfs/dbraw/zinc/61/22/11/818612211.db2.gz ZWLTXASBVVFZMG-UHFFFAOYSA-N 1 2 294.782 3.180 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC001235658448 819130338 /nfs/dbraw/zinc/13/03/38/819130338.db2.gz MZYOOZCHDBEQRA-CYBMUJFWSA-N 1 2 284.256 3.068 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC001235658448 819130342 /nfs/dbraw/zinc/13/03/42/819130342.db2.gz MZYOOZCHDBEQRA-CYBMUJFWSA-N 1 2 284.256 3.068 20 30 CGEDLO CC1(F)CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235651804 819130471 /nfs/dbraw/zinc/13/04/71/819130471.db2.gz PHCSLYOPEXGHLP-UHFFFAOYSA-N 1 2 268.282 3.160 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C#N)cc1F ZINC001236530153 819521125 /nfs/dbraw/zinc/52/11/25/819521125.db2.gz DQPKEEXDOXLRRK-UHFFFAOYSA-N 1 2 255.296 3.134 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(O)c1Cl ZINC001236812119 819604620 /nfs/dbraw/zinc/60/46/20/819604620.db2.gz RQKKNVDLXXHKMI-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(O)c1Cl ZINC001236812119 819604625 /nfs/dbraw/zinc/60/46/25/819604625.db2.gz RQKKNVDLXXHKMI-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)cc1F ZINC001236834243 819612665 /nfs/dbraw/zinc/61/26/65/819612665.db2.gz IRIBNWDFSRJSAY-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)cc1F ZINC001236834243 819612666 /nfs/dbraw/zinc/61/26/66/819612666.db2.gz IRIBNWDFSRJSAY-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237225378 819704219 /nfs/dbraw/zinc/70/42/19/819704219.db2.gz NUACWNIAZRQNPK-SFHVURJKSA-N 1 2 298.430 3.483 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237225378 819704222 /nfs/dbraw/zinc/70/42/22/819704222.db2.gz NUACWNIAZRQNPK-SFHVURJKSA-N 1 2 298.430 3.483 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)cc(OCC)c1 ZINC001237916208 819881045 /nfs/dbraw/zinc/88/10/45/819881045.db2.gz DTCXWSGDIWTXAF-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)cc(OCC)c1 ZINC001237916208 819881056 /nfs/dbraw/zinc/88/10/56/819881056.db2.gz DTCXWSGDIWTXAF-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO C#CC1CC[NH+](Cc2cncc(Cl)c2Cl)CC1 ZINC001238016399 819911333 /nfs/dbraw/zinc/91/13/33/819911333.db2.gz WUPLKHVUNGTEOT-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ncc1Cl ZINC001238419202 819989337 /nfs/dbraw/zinc/98/93/37/819989337.db2.gz VYMSKYJSBKIYRC-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ncc1Cl ZINC001238419202 819989340 /nfs/dbraw/zinc/98/93/40/819989340.db2.gz VYMSKYJSBKIYRC-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(OC(C)C)c1 ZINC001238460937 820007642 /nfs/dbraw/zinc/00/76/42/820007642.db2.gz QDFAHGPHZUQWGQ-UHFFFAOYSA-N 1 2 264.344 3.348 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(OC(C)C)c1 ZINC001238460937 820007653 /nfs/dbraw/zinc/00/76/53/820007653.db2.gz QDFAHGPHZUQWGQ-UHFFFAOYSA-N 1 2 264.344 3.348 20 30 CGEDLO CCc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1C#N ZINC001238769339 820113277 /nfs/dbraw/zinc/11/32/77/820113277.db2.gz RGYPBVQHWLBRJY-CQSZACIVSA-N 1 2 279.387 3.499 20 30 CGEDLO CCc1cc(C[N@H+]2CCn3cccc3[C@H]2C)ccc1C#N ZINC001238769339 820113284 /nfs/dbraw/zinc/11/32/84/820113284.db2.gz RGYPBVQHWLBRJY-CQSZACIVSA-N 1 2 279.387 3.499 20 30 CGEDLO CCCCCCCNC(=S)N1CC[NH2+]C2=CCCC[C@H]21 ZINC001239463707 820314863 /nfs/dbraw/zinc/31/48/63/820314863.db2.gz XZYBOVBFYJDWRV-OAHLLOKOSA-N 1 2 295.496 3.173 20 30 CGEDLO N#Cc1c[nH]c2nc(-c3ccc(Cn4cc[nH+]c4)cc3)ccc12 ZINC001243658597 823477861 /nfs/dbraw/zinc/47/78/61/823477861.db2.gz ZRIDSGCBVNQSBJ-UHFFFAOYSA-N 1 2 299.337 3.346 20 30 CGEDLO N#Cc1c(-c2ccc3[nH+]ccn3c2)ccc2ncccc12 ZINC001240221548 820900231 /nfs/dbraw/zinc/90/02/31/820900231.db2.gz LFAMLDCAPVZTNB-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1c2ccccc2cnc1-c1ccn2cc[nH+]c2c1 ZINC001240497745 821094305 /nfs/dbraw/zinc/09/43/05/821094305.db2.gz YFECBUKDWYAAFI-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1c(-c2ccn3cc[nH+]c3c2)nccc1C(F)(F)F ZINC001240497125 821094408 /nfs/dbraw/zinc/09/44/08/821094408.db2.gz TXTUQYMNLBLEIT-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#Cc1nc2c(cccc2-c2ccn3cc[nH+]c3c2)s1 ZINC001240513144 821107885 /nfs/dbraw/zinc/10/78/85/821107885.db2.gz IWXDTUGQNJCUHL-UHFFFAOYSA-N 1 2 276.324 3.483 20 30 CGEDLO CCOC(=[NH2+])c1cccc(-c2cnc(C#N)c(C)c2)c1 ZINC001242358702 822965518 /nfs/dbraw/zinc/96/55/18/822965518.db2.gz OLPUZTOWXASHSO-UHFFFAOYSA-N 1 2 265.316 3.291 20 30 CGEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cnc1C#N ZINC001242359128 822965547 /nfs/dbraw/zinc/96/55/47/822965547.db2.gz YRZSADCGLLUERN-SRZZPIQSSA-N 1 2 289.342 3.022 20 30 CGEDLO Cc1ccc(C#N)cc1-c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001242541861 823025024 /nfs/dbraw/zinc/02/50/24/823025024.db2.gz QEQKCEPLVIILAK-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3cc(C#N)ccc3C)nn2)c1C ZINC001242543547 823025567 /nfs/dbraw/zinc/02/55/67/823025567.db2.gz DIJWPWALYIJPTA-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1N[C@H]1CCC[C@@H](C#N)C1 ZINC001339288569 936364700 /nfs/dbraw/zinc/36/47/00/936364700.db2.gz QLSDBUSHPAJGED-OLZOCXBDSA-N 1 2 259.353 3.363 20 30 CGEDLO C=C(CC(C)C)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001347151421 936872357 /nfs/dbraw/zinc/87/23/57/936872357.db2.gz OELSOEGYUPFIQU-UHFFFAOYSA-N 1 2 297.402 3.269 20 30 CGEDLO C[C@@H]1CCC(C)(C)CC1=NNCCCn1cc[nH+]c1 ZINC001353067264 937056845 /nfs/dbraw/zinc/05/68/45/937056845.db2.gz GHBDHCZYNCCVMO-CYBMUJFWSA-N 1 2 262.401 3.065 20 30 CGEDLO N#Cc1ccccc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000194588119 926943207 /nfs/dbraw/zinc/94/32/07/926943207.db2.gz XTXCCJSBUBOPRS-CMDGGOBGSA-N 1 2 273.295 3.102 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001485368762 927855027 /nfs/dbraw/zinc/85/50/27/927855027.db2.gz BVKSHBLOBMARNI-QWHCGFSZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001485368762 927855038 /nfs/dbraw/zinc/85/50/38/927855038.db2.gz BVKSHBLOBMARNI-QWHCGFSZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCCC(C)C)CC1 ZINC001486516961 928028562 /nfs/dbraw/zinc/02/85/62/928028562.db2.gz QWWCMDXKGWIDFO-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCCC(C)C)CC1 ZINC001486516961 928028573 /nfs/dbraw/zinc/02/85/73/928028573.db2.gz QWWCMDXKGWIDFO-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO C#Cc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000809652402 928140810 /nfs/dbraw/zinc/14/08/10/928140810.db2.gz UQCQIOSYQHCCGX-GFCCVEGCSA-N 1 2 283.375 3.199 20 30 CGEDLO COc1ccc(C#N)cc1Nc1[nH+]c2ccccc2n1C ZINC001201577862 928281666 /nfs/dbraw/zinc/28/16/66/928281666.db2.gz ARXJHQWLRMYFEO-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO C=C(Br)CN1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001460764315 937544288 /nfs/dbraw/zinc/54/42/88/937544288.db2.gz LJSWEUQJYUFIRY-NSHDSACASA-N 1 2 284.201 3.072 20 30 CGEDLO Cc1cc([C@@H]2CCCC[N@@H+]2CC#Cc2ccc(F)cc2)[nH]n1 ZINC001460834945 937548297 /nfs/dbraw/zinc/54/82/97/937548297.db2.gz MBBFYKQYUBBMKO-SFHVURJKSA-N 1 2 297.377 3.436 20 30 CGEDLO Cc1cc([C@@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)[nH]n1 ZINC001460834945 937548300 /nfs/dbraw/zinc/54/83/00/937548300.db2.gz MBBFYKQYUBBMKO-SFHVURJKSA-N 1 2 297.377 3.436 20 30 CGEDLO C#CC[N@@H+](Cc1c(Cl)ncn1CC)C1CCCCC1 ZINC001461893664 937604357 /nfs/dbraw/zinc/60/43/57/937604357.db2.gz DJMFBTYBVRPLEO-UHFFFAOYSA-N 1 2 279.815 3.324 20 30 CGEDLO C#CC[N@H+](Cc1c(Cl)ncn1CC)C1CCCCC1 ZINC001461893664 937604359 /nfs/dbraw/zinc/60/43/59/937604359.db2.gz DJMFBTYBVRPLEO-UHFFFAOYSA-N 1 2 279.815 3.324 20 30 CGEDLO C=C(C)CCC(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001303608837 932829520 /nfs/dbraw/zinc/82/95/20/932829520.db2.gz LJHOPXOJPCGDJZ-CYBMUJFWSA-N 1 2 261.369 3.046 20 30 CGEDLO CCc1cc(N(C)CCc2cccc(C#N)c2)nc(CC)[nH+]1 ZINC001307190745 932926959 /nfs/dbraw/zinc/92/69/59/932926959.db2.gz BEEGDIVYVMVFFX-UHFFFAOYSA-N 1 2 294.402 3.152 20 30 CGEDLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC001308802077 933178678 /nfs/dbraw/zinc/17/86/78/933178678.db2.gz OZJKLBWEBZJZQB-APPDUMDISA-N 1 2 282.318 3.309 20 30 CGEDLO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001308815287 933182999 /nfs/dbraw/zinc/18/29/99/933182999.db2.gz SHUWJOISFHNZEB-GOEBONIOSA-N 1 2 289.419 3.494 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001308917039 933203048 /nfs/dbraw/zinc/20/30/48/933203048.db2.gz FNFPITLUWAAWFN-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)C1CC1 ZINC001317556522 933619884 /nfs/dbraw/zinc/61/98/84/933619884.db2.gz HDEFHEFBSBDACX-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)C1CC1 ZINC001317556522 933619888 /nfs/dbraw/zinc/61/98/88/933619888.db2.gz HDEFHEFBSBDACX-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001318179201 933692306 /nfs/dbraw/zinc/69/23/06/933692306.db2.gz HAOHCDYQPXCOFX-DOMZBBRYSA-N 1 2 298.858 3.003 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(C(C)(C)C)s1)CC1CC1 ZINC001321451037 934184803 /nfs/dbraw/zinc/18/48/03/934184803.db2.gz VJPWHLAQMRKLKA-UHFFFAOYSA-N 1 2 262.422 3.286 20 30 CGEDLO C#CC[N@H+](Cc1ncc(C(C)(C)C)s1)CC1CC1 ZINC001321451037 934184810 /nfs/dbraw/zinc/18/48/10/934184810.db2.gz VJPWHLAQMRKLKA-UHFFFAOYSA-N 1 2 262.422 3.286 20 30 CGEDLO CC1(C#N)C[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001473434197 937806619 /nfs/dbraw/zinc/80/66/19/937806619.db2.gz PMDNYWZWLBYPQU-GDBMZVCRSA-N 1 2 254.377 3.416 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001329160979 935192241 /nfs/dbraw/zinc/19/22/41/935192241.db2.gz KDDAVVPCSIGUCX-CQSZACIVSA-N 1 2 280.375 3.202 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001329160979 935192243 /nfs/dbraw/zinc/19/22/43/935192243.db2.gz KDDAVVPCSIGUCX-CQSZACIVSA-N 1 2 280.375 3.202 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccn1C1CC1)C2 ZINC001329170504 935193328 /nfs/dbraw/zinc/19/33/28/935193328.db2.gz YWEKWALQKDHTTJ-UHFFFAOYSA-N 1 2 263.344 3.210 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccn1C1CC1)C2 ZINC001329170504 935193331 /nfs/dbraw/zinc/19/33/31/935193331.db2.gz YWEKWALQKDHTTJ-UHFFFAOYSA-N 1 2 263.344 3.210 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCCCCC(C)C)C1 ZINC001499753303 937974579 /nfs/dbraw/zinc/97/45/79/937974579.db2.gz CNBWDQOIAMVGPL-UHFFFAOYSA-N 1 2 280.456 3.312 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)CCCC)cc2C1 ZINC001502648576 937982768 /nfs/dbraw/zinc/98/27/68/937982768.db2.gz PFAOWPYUNCDHEN-OAHLLOKOSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)CCCC)cc2C1 ZINC001502648576 937982769 /nfs/dbraw/zinc/98/27/69/937982769.db2.gz PFAOWPYUNCDHEN-OAHLLOKOSA-N 1 2 298.430 3.078 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)Oc3ccc(C#N)c(C)c3)ccn12 ZINC001543654053 938140905 /nfs/dbraw/zinc/14/09/05/938140905.db2.gz MVVATDDGCDKDIR-UHFFFAOYSA-N 1 2 291.310 3.042 20 30 CGEDLO C=CCN(C)CC[N@@H+](CC)Cc1cnc(-c2ccccc2)o1 ZINC001559797689 938235975 /nfs/dbraw/zinc/23/59/75/938235975.db2.gz WXODZXXOPQHMDP-UHFFFAOYSA-N 1 2 299.418 3.281 20 30 CGEDLO C=CCN(C)CC[N@H+](CC)Cc1cnc(-c2ccccc2)o1 ZINC001559797689 938235976 /nfs/dbraw/zinc/23/59/76/938235976.db2.gz WXODZXXOPQHMDP-UHFFFAOYSA-N 1 2 299.418 3.281 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(=O)OC ZINC001560968322 938287126 /nfs/dbraw/zinc/28/71/26/938287126.db2.gz ZKEUZWBDXSFDQR-ULQDDVLXSA-N 1 2 287.403 3.420 20 30 CGEDLO N#CC12CCC(Nc3cc(N)cc(Cl)[nH+]3)(CC1)CC2 ZINC001158785770 958831764 /nfs/dbraw/zinc/83/17/64/958831764.db2.gz ORQJVOZKGABRQP-UHFFFAOYSA-N 1 2 276.771 3.346 20 30 CGEDLO N#CCCCCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC000591365352 346917679 /nfs/dbraw/zinc/91/76/79/346917679.db2.gz XUWAZNAODKZDLV-UHFFFAOYSA-N 1 2 283.310 3.356 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000592060185 346958486 /nfs/dbraw/zinc/95/84/86/346958486.db2.gz DBEWRDMWFSWCHI-HNNXBMFYSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000592060185 346958491 /nfs/dbraw/zinc/95/84/91/346958491.db2.gz DBEWRDMWFSWCHI-HNNXBMFYSA-N 1 2 269.373 3.352 20 30 CGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccncc1C#N ZINC000592100927 346962812 /nfs/dbraw/zinc/96/28/12/346962812.db2.gz LAVPUBJFQNLEPH-ZWNOBZJWSA-N 1 2 283.297 3.116 20 30 CGEDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccncc1C#N ZINC000592100927 346962815 /nfs/dbraw/zinc/96/28/15/346962815.db2.gz LAVPUBJFQNLEPH-ZWNOBZJWSA-N 1 2 283.297 3.116 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccncc1C#N ZINC000592069935 346959486 /nfs/dbraw/zinc/95/94/86/346959486.db2.gz ATZIJYNRIZKEGI-ZDUSSCGKSA-N 1 2 263.344 3.073 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592069935 346959489 /nfs/dbraw/zinc/95/94/89/346959489.db2.gz ATZIJYNRIZKEGI-ZDUSSCGKSA-N 1 2 263.344 3.073 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2n(n1)CCCC2 ZINC000592387467 346981781 /nfs/dbraw/zinc/98/17/81/346981781.db2.gz HPZSDGZUWZOVOH-GFCCVEGCSA-N 1 2 298.365 3.081 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000592522498 346995846 /nfs/dbraw/zinc/99/58/46/346995846.db2.gz DISOXIZHTSBZGM-ZFWWWQNUSA-N 1 2 281.363 3.070 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)on1 ZINC000052008899 345095795 /nfs/dbraw/zinc/09/57/95/345095795.db2.gz UDJCQKNSYYFULV-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)on1 ZINC000052008899 345095798 /nfs/dbraw/zinc/09/57/98/345095798.db2.gz UDJCQKNSYYFULV-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO N#CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000060893192 345223788 /nfs/dbraw/zinc/22/37/88/345223788.db2.gz HUOIOKBTQNADKN-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc2cc(OC)ccc2c1 ZINC000123396274 346009035 /nfs/dbraw/zinc/00/90/35/346009035.db2.gz JSUIQKNZLRAOQJ-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc2cc(OC)ccc2c1 ZINC000123396274 346009038 /nfs/dbraw/zinc/00/90/38/346009038.db2.gz JSUIQKNZLRAOQJ-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO N#Cc1ccc(SCCCn2cc[nH+]c2)c(F)c1 ZINC000351683547 219173003 /nfs/dbraw/zinc/17/30/03/219173003.db2.gz AIERULBXBJHTGK-UHFFFAOYSA-N 1 2 261.325 3.076 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192071372 346267371 /nfs/dbraw/zinc/26/73/71/346267371.db2.gz AFJFNIWZPLUHHA-FQEVSTJZSA-N 1 2 291.394 3.286 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192071372 346267372 /nfs/dbraw/zinc/26/73/72/346267372.db2.gz AFJFNIWZPLUHHA-FQEVSTJZSA-N 1 2 291.394 3.286 20 30 CGEDLO C[C@@H](Nc1cccc(OCCCC#N)c1)c1[nH]cc[nH+]1 ZINC000286170615 346421314 /nfs/dbraw/zinc/42/13/14/346421314.db2.gz PWFXWPIJWZWAGT-GFCCVEGCSA-N 1 2 270.336 3.265 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cn(-c2cccc(C)c2)nc1C ZINC000593568485 347091920 /nfs/dbraw/zinc/09/19/20/347091920.db2.gz UDIKOIXZWDAHIJ-UHFFFAOYSA-N 1 2 282.391 3.225 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cn(-c2cccc(C)c2)nc1C ZINC000593568485 347091924 /nfs/dbraw/zinc/09/19/24/347091924.db2.gz UDIKOIXZWDAHIJ-UHFFFAOYSA-N 1 2 282.391 3.225 20 30 CGEDLO CCC(CC)n1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397689505 346584218 /nfs/dbraw/zinc/58/42/18/346584218.db2.gz OFNFJHKTBSGXDU-CQSZACIVSA-N 1 2 274.412 3.370 20 30 CGEDLO CCC(CC)n1ccc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397689505 346584221 /nfs/dbraw/zinc/58/42/21/346584221.db2.gz OFNFJHKTBSGXDU-CQSZACIVSA-N 1 2 274.412 3.370 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@@H](CC)CO1 ZINC000403847394 346598376 /nfs/dbraw/zinc/59/83/76/346598376.db2.gz VJNLMTHNUKJECP-JKSUJKDBSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H](CC)CO1 ZINC000403847394 346598377 /nfs/dbraw/zinc/59/83/77/346598377.db2.gz VJNLMTHNUKJECP-JKSUJKDBSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1ccc(Cl)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000586779823 346734615 /nfs/dbraw/zinc/73/46/15/346734615.db2.gz ZUSLJSVFZZDIEO-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000119192209 370652475 /nfs/dbraw/zinc/65/24/75/370652475.db2.gz YJHOCESCWNFXNQ-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000119192209 370652478 /nfs/dbraw/zinc/65/24/78/370652478.db2.gz YJHOCESCWNFXNQ-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000594945826 347237745 /nfs/dbraw/zinc/23/77/45/347237745.db2.gz XZJLTXHSXCHZKZ-ZDUSSCGKSA-N 1 2 264.319 3.375 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)CCCCC1 ZINC000594980932 347248073 /nfs/dbraw/zinc/24/80/73/347248073.db2.gz DFKNOZHOVAOXED-UHFFFAOYSA-N 1 2 294.402 3.436 20 30 CGEDLO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(F)c1 ZINC000594981100 347248078 /nfs/dbraw/zinc/24/80/78/347248078.db2.gz GVEUNPOEPXMFRO-UHFFFAOYSA-N 1 2 276.355 3.398 20 30 CGEDLO CCOc1cccc(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000594981342 347248433 /nfs/dbraw/zinc/24/84/33/347248433.db2.gz NOURSHCGGOFJHJ-UHFFFAOYSA-N 1 2 273.380 3.044 20 30 CGEDLO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)sn1 ZINC000595297024 347288160 /nfs/dbraw/zinc/28/81/60/347288160.db2.gz OYYWRKZMWQMDRJ-UHFFFAOYSA-N 1 2 299.399 3.188 20 30 CGEDLO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)sn1 ZINC000595297024 347288163 /nfs/dbraw/zinc/28/81/63/347288163.db2.gz OYYWRKZMWQMDRJ-UHFFFAOYSA-N 1 2 299.399 3.188 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000595622500 347329494 /nfs/dbraw/zinc/32/94/94/347329494.db2.gz BJYLZFLFMSCAGM-NSHDSACASA-N 1 2 294.301 3.134 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000595622500 347329499 /nfs/dbraw/zinc/32/94/99/347329499.db2.gz BJYLZFLFMSCAGM-NSHDSACASA-N 1 2 294.301 3.134 20 30 CGEDLO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000595473186 347308410 /nfs/dbraw/zinc/30/84/10/347308410.db2.gz UMXBVUDQXPDNPR-AWEZNQCLSA-N 1 2 264.319 3.220 20 30 CGEDLO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000595473186 347308414 /nfs/dbraw/zinc/30/84/14/347308414.db2.gz UMXBVUDQXPDNPR-AWEZNQCLSA-N 1 2 264.319 3.220 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCSc2ccccc2F)C1 ZINC000595835914 347363305 /nfs/dbraw/zinc/36/33/05/347363305.db2.gz VGNWUUONURBNBL-AWEZNQCLSA-N 1 2 264.369 3.153 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCSc2ccccc2F)C1 ZINC000595835914 347363310 /nfs/dbraw/zinc/36/33/10/347363310.db2.gz VGNWUUONURBNBL-AWEZNQCLSA-N 1 2 264.369 3.153 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000595835090 347363475 /nfs/dbraw/zinc/36/34/75/347363475.db2.gz NLCFUEDEGUYNNO-CYBMUJFWSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000595835090 347363478 /nfs/dbraw/zinc/36/34/78/347363478.db2.gz NLCFUEDEGUYNNO-CYBMUJFWSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000595837477 347364522 /nfs/dbraw/zinc/36/45/22/347364522.db2.gz HQJWUFJFFSAWGO-AWEZNQCLSA-N 1 2 266.747 3.257 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000595837477 347364524 /nfs/dbraw/zinc/36/45/24/347364524.db2.gz HQJWUFJFFSAWGO-AWEZNQCLSA-N 1 2 266.747 3.257 20 30 CGEDLO Cc1c(Br)cccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843159 347366313 /nfs/dbraw/zinc/36/63/13/347366313.db2.gz INRDDFXWVMDOKE-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1c(Br)cccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595843159 347366317 /nfs/dbraw/zinc/36/63/17/347366317.db2.gz INRDDFXWVMDOKE-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595845277 347367477 /nfs/dbraw/zinc/36/74/77/347367477.db2.gz ZLKRVRUKABRMQT-XHDPSFHLSA-N 1 2 255.321 3.124 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595845277 347367479 /nfs/dbraw/zinc/36/74/79/347367479.db2.gz ZLKRVRUKABRMQT-XHDPSFHLSA-N 1 2 255.321 3.124 20 30 CGEDLO CC(C)c1cc(N2CC(CC#N)C2)nc(C(C)C)[nH+]1 ZINC000596433470 347455787 /nfs/dbraw/zinc/45/57/87/347455787.db2.gz OTRGDZJNCYNQJE-UHFFFAOYSA-N 1 2 258.369 3.073 20 30 CGEDLO N#CC[C@H]1CCCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000596325204 347417893 /nfs/dbraw/zinc/41/78/93/347417893.db2.gz IHLIXAPFWDGRNW-GFCCVEGCSA-N 1 2 291.358 3.241 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cccc2C)[nH]1)C[C@@H](C)C#N ZINC000596991678 347525372 /nfs/dbraw/zinc/52/53/72/347525372.db2.gz NLCVBQUZMSNGTF-LBPRGKRZSA-N 1 2 255.365 3.458 20 30 CGEDLO CC[N@H+](Cc1cc2c(cccc2C)[nH]1)C[C@@H](C)C#N ZINC000596991678 347525375 /nfs/dbraw/zinc/52/53/75/347525375.db2.gz NLCVBQUZMSNGTF-LBPRGKRZSA-N 1 2 255.365 3.458 20 30 CGEDLO COCc1csc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000597026935 347528659 /nfs/dbraw/zinc/52/86/59/347528659.db2.gz SPKIVIWLMGNHRI-LLVKDONJSA-N 1 2 264.394 3.019 20 30 CGEDLO COCc1csc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000597026935 347528662 /nfs/dbraw/zinc/52/86/62/347528662.db2.gz SPKIVIWLMGNHRI-LLVKDONJSA-N 1 2 264.394 3.019 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130501 347538055 /nfs/dbraw/zinc/53/80/55/347538055.db2.gz SWRSVGZZRMZHFE-UHFFFAOYSA-N 1 2 265.360 3.143 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130501 347538059 /nfs/dbraw/zinc/53/80/59/347538059.db2.gz SWRSVGZZRMZHFE-UHFFFAOYSA-N 1 2 265.360 3.143 20 30 CGEDLO CSc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597231890 347559753 /nfs/dbraw/zinc/55/97/53/347559753.db2.gz PQMHAXLZASAHHR-GFCCVEGCSA-N 1 2 252.408 3.206 20 30 CGEDLO CSc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597231890 347559756 /nfs/dbraw/zinc/55/97/56/347559756.db2.gz PQMHAXLZASAHHR-GFCCVEGCSA-N 1 2 252.408 3.206 20 30 CGEDLO Cc1cccc2[nH]c(C[N@@H+]3CC[C@](C)(C#N)C3)cc21 ZINC000597231857 347560142 /nfs/dbraw/zinc/56/01/42/347560142.db2.gz PFNBWRAJKWPWTM-MRXNPFEDSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1cccc2[nH]c(C[N@H+]3CC[C@](C)(C#N)C3)cc21 ZINC000597231857 347560144 /nfs/dbraw/zinc/56/01/44/347560144.db2.gz PFNBWRAJKWPWTM-MRXNPFEDSA-N 1 2 253.349 3.212 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000597194685 347548561 /nfs/dbraw/zinc/54/85/61/347548561.db2.gz XIIRRIRDSBNMOJ-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000598998530 347704729 /nfs/dbraw/zinc/70/47/29/347704729.db2.gz TYZBOBHQBDUGDT-UHFFFAOYSA-N 1 2 282.347 3.141 20 30 CGEDLO Cc1cnc([C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678259 347765391 /nfs/dbraw/zinc/76/53/91/347765391.db2.gz SFFMKTRCBZDRED-CYBMUJFWSA-N 1 2 281.359 3.168 20 30 CGEDLO Cc1cnc([C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678259 347765393 /nfs/dbraw/zinc/76/53/93/347765393.db2.gz SFFMKTRCBZDRED-CYBMUJFWSA-N 1 2 281.359 3.168 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1C#N ZINC000599257773 347729490 /nfs/dbraw/zinc/72/94/90/347729490.db2.gz LURRRUPUCGKREH-AWEZNQCLSA-N 1 2 265.360 3.245 20 30 CGEDLO Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1C#N ZINC000599257773 347729494 /nfs/dbraw/zinc/72/94/94/347729494.db2.gz LURRRUPUCGKREH-AWEZNQCLSA-N 1 2 265.360 3.245 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccccc2F)n1 ZINC000599436502 347745603 /nfs/dbraw/zinc/74/56/03/347745603.db2.gz GZWGBOFVMBFTCN-NSHDSACASA-N 1 2 273.311 3.263 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599470424 347747736 /nfs/dbraw/zinc/74/77/36/347747736.db2.gz RCCSETWGIVLDKD-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599470424 347747740 /nfs/dbraw/zinc/74/77/40/347747740.db2.gz RCCSETWGIVLDKD-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515584 347750144 /nfs/dbraw/zinc/75/01/44/347750144.db2.gz GGUZQRHYFYGQRI-ZDUSSCGKSA-N 1 2 276.330 3.448 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515584 347750148 /nfs/dbraw/zinc/75/01/48/347750148.db2.gz GGUZQRHYFYGQRI-ZDUSSCGKSA-N 1 2 276.330 3.448 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599629187 347759716 /nfs/dbraw/zinc/75/97/16/347759716.db2.gz XZMUVGKFWJXEIC-JTQLQIEISA-N 1 2 295.289 3.086 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599629187 347759717 /nfs/dbraw/zinc/75/97/17/347759717.db2.gz XZMUVGKFWJXEIC-JTQLQIEISA-N 1 2 295.289 3.086 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(=O)OCC ZINC000600168406 347788506 /nfs/dbraw/zinc/78/85/06/347788506.db2.gz IYAQAQMVUPJCAQ-HNNXBMFYSA-N 1 2 286.375 3.155 20 30 CGEDLO COc1ccc(-c2c[nH+]c(C(C)C)n2C)cc1C#N ZINC000600844878 347840506 /nfs/dbraw/zinc/84/05/06/347840506.db2.gz AAJPARYMRKWDEA-UHFFFAOYSA-N 1 2 255.321 3.091 20 30 CGEDLO N#CCC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000601969529 347930864 /nfs/dbraw/zinc/93/08/64/347930864.db2.gz USMINNVUSVKKQJ-QGZVFWFLSA-N 1 2 265.360 3.259 20 30 CGEDLO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000602017296 347933270 /nfs/dbraw/zinc/93/32/70/347933270.db2.gz NZVUVDRXKDGABY-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO CC[C@@H](C)[C@H](C[N@H+](CCC#N)Cc1ccco1)OC ZINC000602435000 347957238 /nfs/dbraw/zinc/95/72/38/347957238.db2.gz RWUUUBMRPNJABL-HIFRSBDPSA-N 1 2 264.369 3.056 20 30 CGEDLO CC[C@@H](C)[C@H](C[N@@H+](CCC#N)Cc1ccco1)OC ZINC000602435000 347957240 /nfs/dbraw/zinc/95/72/40/347957240.db2.gz RWUUUBMRPNJABL-HIFRSBDPSA-N 1 2 264.369 3.056 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3cccc(Cl)c3C2)n1 ZINC000602691814 348009877 /nfs/dbraw/zinc/00/98/77/348009877.db2.gz SVPXXNQJAOJNDV-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3cccc(Cl)c3C2)n1 ZINC000602691814 348009879 /nfs/dbraw/zinc/00/98/79/348009879.db2.gz SVPXXNQJAOJNDV-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#CCC1(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC000602776027 348027339 /nfs/dbraw/zinc/02/73/39/348027339.db2.gz NRUWMHXETGMBDQ-UHFFFAOYSA-N 1 2 280.375 3.106 20 30 CGEDLO N#CCC1(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC000602776027 348027341 /nfs/dbraw/zinc/02/73/41/348027341.db2.gz NRUWMHXETGMBDQ-UHFFFAOYSA-N 1 2 280.375 3.106 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2cccc(OC)c2)n1 ZINC000602841592 348035610 /nfs/dbraw/zinc/03/56/10/348035610.db2.gz LVCBUOMEEGFEJQ-CYBMUJFWSA-N 1 2 285.347 3.132 20 30 CGEDLO COc1ccccc1-c1nc(C[NH2+][C@@H](C)CC#N)cs1 ZINC000602860570 348037421 /nfs/dbraw/zinc/03/74/21/348037421.db2.gz CBHYGKLKKXKUEY-NSHDSACASA-N 1 2 287.388 3.210 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880902 348039895 /nfs/dbraw/zinc/03/98/95/348039895.db2.gz OFUATCGBOMLULV-HNNXBMFYSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880902 348039898 /nfs/dbraw/zinc/03/98/98/348039898.db2.gz OFUATCGBOMLULV-HNNXBMFYSA-N 1 2 286.766 3.272 20 30 CGEDLO C[N@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCC[C@@H]1C#N ZINC000602978586 348049258 /nfs/dbraw/zinc/04/92/58/348049258.db2.gz SOCBJWQMLLRXEG-ZWNOBZJWSA-N 1 2 273.311 3.091 20 30 CGEDLO C[N@@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCC[C@@H]1C#N ZINC000602978586 348049260 /nfs/dbraw/zinc/04/92/60/348049260.db2.gz SOCBJWQMLLRXEG-ZWNOBZJWSA-N 1 2 273.311 3.091 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000603428275 348082835 /nfs/dbraw/zinc/08/28/35/348082835.db2.gz GKWBYEQTBWHUGD-NOZJJQNGSA-N 1 2 250.292 3.179 20 30 CGEDLO N#Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000610276333 348370266 /nfs/dbraw/zinc/37/02/66/348370266.db2.gz MPAHTUMAVWLETG-AWEZNQCLSA-N 1 2 286.766 3.250 20 30 CGEDLO Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC000610340407 348375643 /nfs/dbraw/zinc/37/56/43/348375643.db2.gz STRXZSCQRXWXRO-GFCCVEGCSA-N 1 2 278.359 3.129 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1Cl ZINC000612159630 348498018 /nfs/dbraw/zinc/49/80/18/348498018.db2.gz WZIBZQQUIQQESC-OAHLLOKOSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1Cl ZINC000612159630 348498021 /nfs/dbraw/zinc/49/80/21/348498021.db2.gz WZIBZQQUIQQESC-OAHLLOKOSA-N 1 2 278.783 3.474 20 30 CGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163058 348498478 /nfs/dbraw/zinc/49/84/78/348498478.db2.gz NRVLIANOCDYODM-SWLSCSKDSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163058 348498480 /nfs/dbraw/zinc/49/84/80/348498480.db2.gz NRVLIANOCDYODM-SWLSCSKDSA-N 1 2 273.336 3.281 20 30 CGEDLO Cc1c(C[N@@H+]2CCC[C@](C)(C#N)C2)cccc1[N+](=O)[O-] ZINC000612165058 348499224 /nfs/dbraw/zinc/49/92/24/348499224.db2.gz KBCQFCYWZVBTHV-OAHLLOKOSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1c(C[N@H+]2CCC[C@](C)(C#N)C2)cccc1[N+](=O)[O-] ZINC000612165058 348499227 /nfs/dbraw/zinc/49/92/27/348499227.db2.gz KBCQFCYWZVBTHV-OAHLLOKOSA-N 1 2 273.336 3.029 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000612406015 348516791 /nfs/dbraw/zinc/51/67/91/348516791.db2.gz GJHKRNRPKBGLRI-AWEZNQCLSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000612406015 348516792 /nfs/dbraw/zinc/51/67/92/348516792.db2.gz GJHKRNRPKBGLRI-AWEZNQCLSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000612405898 348516845 /nfs/dbraw/zinc/51/68/45/348516845.db2.gz DQERJMYDQKGGKE-INIZCTEOSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000612405898 348516847 /nfs/dbraw/zinc/51/68/47/348516847.db2.gz DQERJMYDQKGGKE-INIZCTEOSA-N 1 2 298.415 3.331 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405596 348516850 /nfs/dbraw/zinc/51/68/50/348516850.db2.gz AVLGJFWOGZOFHR-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405596 348516852 /nfs/dbraw/zinc/51/68/52/348516852.db2.gz AVLGJFWOGZOFHR-QGZVFWFLSA-N 1 2 270.376 3.377 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000612405606 348516857 /nfs/dbraw/zinc/51/68/57/348516857.db2.gz BEWHUVMLQTZDCK-QGZVFWFLSA-N 1 2 298.365 3.341 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000612405606 348516859 /nfs/dbraw/zinc/51/68/59/348516859.db2.gz BEWHUVMLQTZDCK-QGZVFWFLSA-N 1 2 298.365 3.341 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612406741 348517446 /nfs/dbraw/zinc/51/74/46/348517446.db2.gz SHKRDWDMVYVRGA-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612406741 348517449 /nfs/dbraw/zinc/51/74/49/348517449.db2.gz SHKRDWDMVYVRGA-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000612435200 348519530 /nfs/dbraw/zinc/51/95/30/348519530.db2.gz HXIBRMXNTIXWIP-SECBINFHSA-N 1 2 263.391 3.263 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)nc1 ZINC000616152142 348791615 /nfs/dbraw/zinc/79/16/15/348791615.db2.gz WAKPLSIYNZHYIN-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)nc1 ZINC000616152142 348791617 /nfs/dbraw/zinc/79/16/17/348791617.db2.gz WAKPLSIYNZHYIN-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000617043447 348906946 /nfs/dbraw/zinc/90/69/46/348906946.db2.gz ABSHZHYXQZTHFU-ZNMIVQPWSA-N 1 2 275.396 3.085 20 30 CGEDLO Cc1cccn2cc(COc3ccc(C#N)c(C)c3)[nH+]c12 ZINC000618065115 349045761 /nfs/dbraw/zinc/04/57/61/349045761.db2.gz JTRLOFTXDJUTMW-UHFFFAOYSA-N 1 2 277.327 3.402 20 30 CGEDLO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000618608119 349121887 /nfs/dbraw/zinc/12/18/87/349121887.db2.gz HREGRNSUDHPPKF-IIAWOOMASA-N 1 2 275.392 3.481 20 30 CGEDLO CC(C)[C@@H](C[N@@H+]1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000619430608 349248630 /nfs/dbraw/zinc/24/86/30/349248630.db2.gz HLSMIXFYOCOMSY-HZPDHXFCSA-N 1 2 260.356 3.364 20 30 CGEDLO CC(C)[C@@H](C[N@H+]1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000619430608 349248631 /nfs/dbraw/zinc/24/86/31/349248631.db2.gz HLSMIXFYOCOMSY-HZPDHXFCSA-N 1 2 260.356 3.364 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619428806 349248960 /nfs/dbraw/zinc/24/89/60/349248960.db2.gz SIZITIDWZNJJGQ-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619428806 349248963 /nfs/dbraw/zinc/24/89/63/349248963.db2.gz SIZITIDWZNJJGQ-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO N#CC1(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000619535212 349257715 /nfs/dbraw/zinc/25/77/15/349257715.db2.gz NDPVEIPNMOBAPE-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO C=CC(C)(C)CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000624223499 350007446 /nfs/dbraw/zinc/00/74/46/350007446.db2.gz VPGXCVUGEGJFBU-UHFFFAOYSA-N 1 2 275.396 3.100 20 30 CGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](F)C2)cc1OC ZINC000628298435 350485294 /nfs/dbraw/zinc/48/52/94/350485294.db2.gz FPTLNRIZAXNRBT-GFCCVEGCSA-N 1 2 299.773 3.457 20 30 CGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](F)C2)cc1OC ZINC000628298435 350485297 /nfs/dbraw/zinc/48/52/97/350485297.db2.gz FPTLNRIZAXNRBT-GFCCVEGCSA-N 1 2 299.773 3.457 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C1CC1 ZINC000271484235 191165730 /nfs/dbraw/zinc/16/57/30/191165730.db2.gz SWJIQUABWOQHSN-SNVBAGLBSA-N 1 2 252.383 3.001 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@@H](C)OC)n1)C1CC1 ZINC000271484235 191165733 /nfs/dbraw/zinc/16/57/33/191165733.db2.gz SWJIQUABWOQHSN-SNVBAGLBSA-N 1 2 252.383 3.001 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(C(C)C)no1)c1ccccc1 ZINC000271670145 191269417 /nfs/dbraw/zinc/26/94/17/191269417.db2.gz GFSDKTBMYCBPHC-AWEZNQCLSA-N 1 2 269.348 3.047 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+](CC(F)F)C2CC2)c1 ZINC000156288792 188253131 /nfs/dbraw/zinc/25/31/31/188253131.db2.gz QFKNWVZQMBKTPQ-UHFFFAOYSA-N 1 2 280.318 3.057 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+](CC(F)F)C2CC2)c1 ZINC000156288792 188253132 /nfs/dbraw/zinc/25/31/32/188253132.db2.gz QFKNWVZQMBKTPQ-UHFFFAOYSA-N 1 2 280.318 3.057 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)on1 ZINC000336382318 213237084 /nfs/dbraw/zinc/23/70/84/213237084.db2.gz XZTDGZAZWHQKSL-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)on1 ZINC000336382318 213237086 /nfs/dbraw/zinc/23/70/86/213237086.db2.gz XZTDGZAZWHQKSL-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO CC(C)(C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271828482 191352916 /nfs/dbraw/zinc/35/29/16/191352916.db2.gz UAMAPYNURSKBRZ-UHFFFAOYSA-N 1 2 296.374 3.018 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000125684270 138384227 /nfs/dbraw/zinc/38/42/27/138384227.db2.gz DJWNOBNDZNKHMG-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000125684270 138384228 /nfs/dbraw/zinc/38/42/28/138384228.db2.gz DJWNOBNDZNKHMG-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1cc(NC[C@H]2CCCC[C@@H]2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425231016 236221326 /nfs/dbraw/zinc/22/13/26/236221326.db2.gz MLQNQTJLEJNZMC-YPMHNXCESA-N 1 2 297.324 3.464 20 30 CGEDLO CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425243759 236223206 /nfs/dbraw/zinc/22/32/06/236223206.db2.gz GCBDSMUSQQXVRA-SJKOYZFVSA-N 1 2 299.349 3.011 20 30 CGEDLO CCN(CC)c1ccc(Nc2nc(C)ccc2C#N)c[nH+]1 ZINC000341726073 216080075 /nfs/dbraw/zinc/08/00/75/216080075.db2.gz GUBYNWFBLWKERX-UHFFFAOYSA-N 1 2 281.363 3.247 20 30 CGEDLO Cc1cccc2[nH+]cc(CNc3ccc(C#N)cc3)n21 ZINC000438843100 238208821 /nfs/dbraw/zinc/20/88/21/238208821.db2.gz URDRVBYDHVBPCS-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO N#Cc1ccc(/C=C/c2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000342220483 216267391 /nfs/dbraw/zinc/26/73/91/216267391.db2.gz GVFGEIZIBMFKHU-ONEGZZNKSA-N 1 2 278.340 3.371 20 30 CGEDLO C#CCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275681109 193104411 /nfs/dbraw/zinc/10/44/11/193104411.db2.gz ZZYXSLWWRYCUPE-DOMZBBRYSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275681109 193104413 /nfs/dbraw/zinc/10/44/13/193104413.db2.gz ZZYXSLWWRYCUPE-DOMZBBRYSA-N 1 2 263.768 3.125 20 30 CGEDLO C#Cc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000037185089 369074142 /nfs/dbraw/zinc/07/41/42/369074142.db2.gz LUBKDIPBNKLHNF-UHFFFAOYSA-N 1 2 277.371 3.144 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(Cl)c1C ZINC000046438295 369294041 /nfs/dbraw/zinc/29/40/41/369294041.db2.gz ZVWGSEUJDWSLFA-UHFFFAOYSA-N 1 2 278.783 3.261 20 30 CGEDLO N#Cc1cccc(OCCSc2[nH+]cc3ccccn32)c1 ZINC000053509702 369484850 /nfs/dbraw/zinc/48/48/50/369484850.db2.gz HKVSHHGGZBENDU-UHFFFAOYSA-N 1 2 295.367 3.377 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000054182963 369497743 /nfs/dbraw/zinc/49/77/43/369497743.db2.gz XWOKGBBIXKNLHK-SNVBAGLBSA-N 1 2 273.163 3.481 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(C)C ZINC000066215758 369690259 /nfs/dbraw/zinc/69/02/59/369690259.db2.gz JHBWSXVEKATOKK-UHFFFAOYSA-N 1 2 272.392 3.423 20 30 CGEDLO CCN(Cc1c[nH+]c(C)n1-c1ccccc1)C[C@H](C)C#N ZINC000091983277 370086527 /nfs/dbraw/zinc/08/65/27/370086527.db2.gz XXLRNMHPFVODMO-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)ccc1OC(F)F)C[C@H](C)C#N ZINC000091983213 370086540 /nfs/dbraw/zinc/08/65/40/370086540.db2.gz QQAFSBQOGJRZGY-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1cc(OC)ccc1OC(F)F)C[C@H](C)C#N ZINC000091983213 370086549 /nfs/dbraw/zinc/08/65/49/370086549.db2.gz QQAFSBQOGJRZGY-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO Cc1ncc(C[N@H+](CCC#N)CC(C)(C)C)s1 ZINC000109813978 370366474 /nfs/dbraw/zinc/36/64/74/370366474.db2.gz YYNFZRFDPOPFSG-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO Cc1ncc(C[N@@H+](CCC#N)CC(C)(C)C)s1 ZINC000109813978 370366479 /nfs/dbraw/zinc/36/64/79/370366479.db2.gz YYNFZRFDPOPFSG-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO N#CC1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCCCC1 ZINC000118642890 370620509 /nfs/dbraw/zinc/62/05/09/370620509.db2.gz CALYQJXPUYTVDI-UHFFFAOYSA-N 1 2 294.358 3.489 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1cccc(C#N)c1F ZINC000219525019 376201517 /nfs/dbraw/zinc/20/15/17/376201517.db2.gz GNVKDXBSKZHPPG-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1cccc(C#N)c1F ZINC000219525019 376201523 /nfs/dbraw/zinc/20/15/23/376201523.db2.gz GNVKDXBSKZHPPG-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO COc1ccc(CNc2ccc(SC)c[nH+]2)cc1C#N ZINC000150886036 371546264 /nfs/dbraw/zinc/54/62/64/371546264.db2.gz XRWIOUAUSFGKHF-UHFFFAOYSA-N 1 2 285.372 3.296 20 30 CGEDLO C=CCCOCCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575818 371571273 /nfs/dbraw/zinc/57/12/73/371571273.db2.gz LEVCQRNEAFTJHY-UHFFFAOYSA-N 1 2 290.407 3.078 20 30 CGEDLO C=CCCCCCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000287551797 371673589 /nfs/dbraw/zinc/67/35/89/371673589.db2.gz YMTOKULXAASIBK-UHFFFAOYSA-N 1 2 292.427 3.051 20 30 CGEDLO C=CC[C@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287868549 371712935 /nfs/dbraw/zinc/71/29/35/371712935.db2.gz XTWHICSTOYWZIF-MFKMUULPSA-N 1 2 269.772 3.023 20 30 CGEDLO N#CCC[N@H+](CCN1CCc2ccccc21)Cc1ccco1 ZINC000428239878 372182016 /nfs/dbraw/zinc/18/20/16/372182016.db2.gz ORJHWFPDJSCOCO-UHFFFAOYSA-N 1 2 295.386 3.058 20 30 CGEDLO N#CCC[N@@H+](CCN1CCc2ccccc21)Cc1ccco1 ZINC000428239878 372182020 /nfs/dbraw/zinc/18/20/20/372182020.db2.gz ORJHWFPDJSCOCO-UHFFFAOYSA-N 1 2 295.386 3.058 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000292206682 372183132 /nfs/dbraw/zinc/18/31/32/372183132.db2.gz IWDCSMJXCWFMHF-UHFFFAOYSA-N 1 2 289.423 3.146 20 30 CGEDLO Cc1ccc(CCC[N@H+](CC#N)C2CCCC2)cn1 ZINC000428273470 372185426 /nfs/dbraw/zinc/18/54/26/372185426.db2.gz MTDCUGPNJAKMES-UHFFFAOYSA-N 1 2 257.381 3.091 20 30 CGEDLO Cc1ccc(CCC[N@@H+](CC#N)C2CCCC2)cn1 ZINC000428273470 372185434 /nfs/dbraw/zinc/18/54/34/372185434.db2.gz MTDCUGPNJAKMES-UHFFFAOYSA-N 1 2 257.381 3.091 20 30 CGEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428377420 372187555 /nfs/dbraw/zinc/18/75/55/372187555.db2.gz HFJOWSDNZHOKKH-KRWDZBQOSA-N 1 2 283.350 3.373 20 30 CGEDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428377420 372187557 /nfs/dbraw/zinc/18/75/57/372187557.db2.gz HFJOWSDNZHOKKH-KRWDZBQOSA-N 1 2 283.350 3.373 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428954909 372290116 /nfs/dbraw/zinc/29/01/16/372290116.db2.gz MNHAHZQGBSNWFG-CABZTGNLSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428954909 372290124 /nfs/dbraw/zinc/29/01/24/372290124.db2.gz MNHAHZQGBSNWFG-CABZTGNLSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cccc2ccccc21 ZINC000161737665 372349486 /nfs/dbraw/zinc/34/94/86/372349486.db2.gz VJMKMWZVLQDXDH-AWEZNQCLSA-N 1 2 268.360 3.453 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cccc2ccccc21 ZINC000161737665 372349488 /nfs/dbraw/zinc/34/94/88/372349488.db2.gz VJMKMWZVLQDXDH-AWEZNQCLSA-N 1 2 268.360 3.453 20 30 CGEDLO C[C@@H](CC#N)N(C)Cc1ccccc1C[N@H+](C)[C@@H](C)CC#N ZINC000161736780 372349616 /nfs/dbraw/zinc/34/96/16/372349616.db2.gz XHWZMLSGHISIRC-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](CC#N)N(C)Cc1ccccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000161736780 372349621 /nfs/dbraw/zinc/34/96/21/372349621.db2.gz XHWZMLSGHISIRC-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000429376605 372357808 /nfs/dbraw/zinc/35/78/08/372357808.db2.gz GHJTWONHKAASNP-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000429376605 372357813 /nfs/dbraw/zinc/35/78/13/372357813.db2.gz GHJTWONHKAASNP-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO N#Cc1cc(Br)ccc1COc1cc[nH+]cc1 ZINC000431483737 372477641 /nfs/dbraw/zinc/47/76/41/372477641.db2.gz PVEMCVAQXJTWEP-UHFFFAOYSA-N 1 2 289.132 3.295 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000052869196 541877600 /nfs/dbraw/zinc/87/76/00/541877600.db2.gz BASSLYPIMNSBGM-UHFFFAOYSA-N 1 2 283.375 3.473 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433308505 372587508 /nfs/dbraw/zinc/58/75/08/372587508.db2.gz YUYDXPZKWTWGRJ-CYBMUJFWSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433308505 372587514 /nfs/dbraw/zinc/58/75/14/372587514.db2.gz YUYDXPZKWTWGRJ-CYBMUJFWSA-N 1 2 287.407 3.058 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cccc1OC ZINC000169280968 372628050 /nfs/dbraw/zinc/62/80/50/372628050.db2.gz QNJOWTRVHZGKOV-SNVBAGLBSA-N 1 2 252.745 3.130 20 30 CGEDLO N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000170709308 372652131 /nfs/dbraw/zinc/65/21/31/372652131.db2.gz JAVHGHFNERARPQ-CQSZACIVSA-N 1 2 295.346 3.040 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC=C(C)C2)c1C ZINC000436259151 372832192 /nfs/dbraw/zinc/83/21/92/372832192.db2.gz DJRCTTOVZDANKW-UHFFFAOYSA-N 1 2 272.392 3.126 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC=C(C)C2)c1C ZINC000436259151 372832197 /nfs/dbraw/zinc/83/21/97/372832197.db2.gz DJRCTTOVZDANKW-UHFFFAOYSA-N 1 2 272.392 3.126 20 30 CGEDLO CC#CCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439485833 372978599 /nfs/dbraw/zinc/97/85/99/372978599.db2.gz JUEMULDCRKDJBK-UHFFFAOYSA-N 1 2 270.351 3.469 20 30 CGEDLO CC#CCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439485833 372978608 /nfs/dbraw/zinc/97/86/08/372978608.db2.gz JUEMULDCRKDJBK-UHFFFAOYSA-N 1 2 270.351 3.469 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccoc1 ZINC000441153839 372998997 /nfs/dbraw/zinc/99/89/97/372998997.db2.gz MFAYUGAWAWSWKI-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccoc1 ZINC000441153839 372999010 /nfs/dbraw/zinc/99/90/10/372999010.db2.gz MFAYUGAWAWSWKI-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(Br)s1)C1CC1 ZINC000296381692 373114290 /nfs/dbraw/zinc/11/42/90/373114290.db2.gz UELALKCZOQZSQL-UHFFFAOYSA-N 1 2 273.199 3.056 20 30 CGEDLO C=CC[N@H+](Cc1cnc(Br)s1)C1CC1 ZINC000296381692 373114296 /nfs/dbraw/zinc/11/42/96/373114296.db2.gz UELALKCZOQZSQL-UHFFFAOYSA-N 1 2 273.199 3.056 20 30 CGEDLO CC(C)CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000447914357 373522043 /nfs/dbraw/zinc/52/20/43/373522043.db2.gz PAEGVKDQTYLFEP-CVEARBPZSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000447914357 373522048 /nfs/dbraw/zinc/52/20/48/373522048.db2.gz PAEGVKDQTYLFEP-CVEARBPZSA-N 1 2 264.413 3.350 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCc1c(F)cccc1Cl ZINC000177369559 373679231 /nfs/dbraw/zinc/67/92/31/373679231.db2.gz ZYNPUVRFJNXVKS-JTQLQIEISA-N 1 2 254.736 3.256 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCc1c(F)cccc1Cl ZINC000177369559 373679238 /nfs/dbraw/zinc/67/92/38/373679238.db2.gz ZYNPUVRFJNXVKS-JTQLQIEISA-N 1 2 254.736 3.256 20 30 CGEDLO CC(C)(C)c1nc(NCc2ccc(C#N)cc2)cc[nH+]1 ZINC000301499957 373780322 /nfs/dbraw/zinc/78/03/22/373780322.db2.gz DFCXAFHKNLLCGW-UHFFFAOYSA-N 1 2 266.348 3.258 20 30 CGEDLO Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)nc1C#N ZINC000302603256 373903509 /nfs/dbraw/zinc/90/35/09/373903509.db2.gz CRXNBBRMMLKDEM-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO CCOc1ccccc1C[N@H+](C)CC1(C#N)CCC1 ZINC000450271650 374034098 /nfs/dbraw/zinc/03/40/98/374034098.db2.gz ZKCMWIHEXMTVES-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1ccccc1C[N@@H+](C)CC1(C#N)CCC1 ZINC000450271650 374034111 /nfs/dbraw/zinc/03/41/11/374034111.db2.gz ZKCMWIHEXMTVES-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2nccs2)c1O ZINC000182169006 374228906 /nfs/dbraw/zinc/22/89/06/374228906.db2.gz PHPUOLQQLUAXKT-CNOAHFENSA-N 1 2 276.361 3.080 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000328950330 374396549 /nfs/dbraw/zinc/39/65/49/374396549.db2.gz LENPFNKWHVSNGB-QWHCGFSZSA-N 1 2 291.395 3.001 20 30 CGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCCOCC2)c1 ZINC000329304090 374402182 /nfs/dbraw/zinc/40/21/82/374402182.db2.gz XCEMYHNKIKDLCR-AWEZNQCLSA-N 1 2 299.374 3.054 20 30 CGEDLO Cc1cn2cc(NC(=O)CC3(O)CCCCC3)ccc2[nH+]1 ZINC000328802096 374384580 /nfs/dbraw/zinc/38/45/80/374384580.db2.gz ARTLKWFMANNDFM-UHFFFAOYSA-N 1 2 287.363 3.316 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)n1 ZINC000184216489 374504158 /nfs/dbraw/zinc/50/41/58/374504158.db2.gz ZQSACBHGYZKTBC-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO COC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000184650957 374547614 /nfs/dbraw/zinc/54/76/14/374547614.db2.gz PCZQMTFMLCLIHJ-MRXNPFEDSA-N 1 2 287.334 3.056 20 30 CGEDLO CC[C@H](CSC)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459471849 374808856 /nfs/dbraw/zinc/80/88/56/374808856.db2.gz NRSKWMKCPRMUJW-GFCCVEGCSA-N 1 2 293.392 3.040 20 30 CGEDLO CC[C@H](CSC)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459471849 374808862 /nfs/dbraw/zinc/80/88/62/374808862.db2.gz NRSKWMKCPRMUJW-GFCCVEGCSA-N 1 2 293.392 3.040 20 30 CGEDLO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186711789 374903537 /nfs/dbraw/zinc/90/35/37/374903537.db2.gz JPSROJGNVFCLMF-RKDXNWHRSA-N 1 2 290.190 3.287 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192035920 375691587 /nfs/dbraw/zinc/69/15/87/375691587.db2.gz YECZQCZWPHSANU-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192035920 375691590 /nfs/dbraw/zinc/69/15/90/375691590.db2.gz YECZQCZWPHSANU-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO C=C(C)C[N@H+](CC#Cc1ccccc1)Cc1ccc(CO)o1 ZINC000512197086 375794169 /nfs/dbraw/zinc/79/41/69/375794169.db2.gz RRJJOHYRVRKHPZ-UHFFFAOYSA-N 1 2 295.382 3.202 20 30 CGEDLO C=C(C)C[N@@H+](CC#Cc1ccccc1)Cc1ccc(CO)o1 ZINC000512197086 375794177 /nfs/dbraw/zinc/79/41/77/375794177.db2.gz RRJJOHYRVRKHPZ-UHFFFAOYSA-N 1 2 295.382 3.202 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336651669 375895472 /nfs/dbraw/zinc/89/54/72/375895472.db2.gz HYTMFRKPFNEENQ-SNVBAGLBSA-N 1 2 279.181 3.163 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336651669 375895475 /nfs/dbraw/zinc/89/54/75/375895475.db2.gz HYTMFRKPFNEENQ-SNVBAGLBSA-N 1 2 279.181 3.163 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(Br)cc1F)C1CC1 ZINC000529542581 375928487 /nfs/dbraw/zinc/92/84/87/375928487.db2.gz PPHVJIMBLKZPND-UHFFFAOYSA-N 1 2 285.160 3.134 20 30 CGEDLO C=CC[N@H+](Cc1ncc(Br)cc1F)C1CC1 ZINC000529542581 375928495 /nfs/dbraw/zinc/92/84/95/375928495.db2.gz PPHVJIMBLKZPND-UHFFFAOYSA-N 1 2 285.160 3.134 20 30 CGEDLO C=CC1CC[NH+](Cc2ncc(Br)cc2F)CC1 ZINC000529536031 375928644 /nfs/dbraw/zinc/92/86/44/375928644.db2.gz WUCIQWATNOLOJF-UHFFFAOYSA-N 1 2 299.187 3.381 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000536669593 376116647 /nfs/dbraw/zinc/11/66/47/376116647.db2.gz SYRYACJXHPQOIW-NSHDSACASA-N 1 2 270.307 3.410 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000536669593 376116649 /nfs/dbraw/zinc/11/66/49/376116649.db2.gz SYRYACJXHPQOIW-NSHDSACASA-N 1 2 270.307 3.410 20 30 CGEDLO C=CCOc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000337314033 376210365 /nfs/dbraw/zinc/21/03/65/376210365.db2.gz WLTFWWHIAPHFRW-UHFFFAOYSA-N 1 2 253.292 3.139 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000540529960 376379881 /nfs/dbraw/zinc/37/98/81/376379881.db2.gz DRLFDFKZATVMDI-CQSZACIVSA-N 1 2 285.391 3.046 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)s1 ZINC000541785938 376483057 /nfs/dbraw/zinc/48/30/57/376483057.db2.gz PLYBOWBQWFSLOQ-INIZCTEOSA-N 1 2 290.432 3.401 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)s1 ZINC000541785938 376483066 /nfs/dbraw/zinc/48/30/66/376483066.db2.gz PLYBOWBQWFSLOQ-INIZCTEOSA-N 1 2 290.432 3.401 20 30 CGEDLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000264612664 190122861 /nfs/dbraw/zinc/12/28/61/190122861.db2.gz DFIWPUWZQRODJV-NSHDSACASA-N 1 2 264.332 3.399 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)OCC ZINC000339418886 376753345 /nfs/dbraw/zinc/75/33/45/376753345.db2.gz GLDCHYDMPHUNPZ-OAHLLOKOSA-N 1 2 287.363 3.181 20 30 CGEDLO CC#CCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000556287123 376861197 /nfs/dbraw/zinc/86/11/97/376861197.db2.gz HJOREBWRTBGHOS-UHFFFAOYSA-N 1 2 266.344 3.289 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000565172594 377483880 /nfs/dbraw/zinc/48/38/80/377483880.db2.gz LJMCGQRPVXDASF-MWLCHTKSSA-N 1 2 297.761 3.088 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000565633602 377488977 /nfs/dbraw/zinc/48/89/77/377488977.db2.gz KHPQGERNUAOANR-UHFFFAOYSA-N 1 2 274.412 3.050 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000565633602 377488984 /nfs/dbraw/zinc/48/89/84/377488984.db2.gz KHPQGERNUAOANR-UHFFFAOYSA-N 1 2 274.412 3.050 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000566628881 377498430 /nfs/dbraw/zinc/49/84/30/377498430.db2.gz UYATZVSYWYMBAM-SJORKVTESA-N 1 2 299.418 3.022 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc(-c2cccs2)oc1C ZINC000572054881 377546480 /nfs/dbraw/zinc/54/64/80/377546480.db2.gz CWEXXVUSHUDRTG-LLVKDONJSA-N 1 2 275.377 3.493 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000265480634 190185287 /nfs/dbraw/zinc/18/52/87/190185287.db2.gz LOULHYGSTNDWTG-OAHLLOKOSA-N 1 2 295.386 3.030 20 30 CGEDLO CC(C)COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000271129707 378459928 /nfs/dbraw/zinc/45/99/28/378459928.db2.gz NCYIRUXFBWGYRM-AWEZNQCLSA-N 1 2 260.381 3.313 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000271129707 378459929 /nfs/dbraw/zinc/45/99/29/378459929.db2.gz NCYIRUXFBWGYRM-AWEZNQCLSA-N 1 2 260.381 3.313 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000271353245 378488999 /nfs/dbraw/zinc/48/89/99/378488999.db2.gz WQIGCNINNXAGPQ-OYHPWPLQSA-N 1 2 277.364 3.023 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nccn1C(C)C ZINC000272270743 378600744 /nfs/dbraw/zinc/60/07/44/378600744.db2.gz LIIDJFZCRSLVMU-UHFFFAOYSA-N 1 2 273.380 3.288 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nccn1C(C)C ZINC000272270743 378600746 /nfs/dbraw/zinc/60/07/46/378600746.db2.gz LIIDJFZCRSLVMU-UHFFFAOYSA-N 1 2 273.380 3.288 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@H]2Cc3ccccc32)CCC[C@]12CCCCO2 ZINC000347067001 378706839 /nfs/dbraw/zinc/70/68/39/378706839.db2.gz AVBCWWJUGDBSIF-NZSAHSFTSA-N 1 2 296.414 3.254 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@H]2Cc3ccccc32)CCC[C@]12CCCCO2 ZINC000347067001 378706849 /nfs/dbraw/zinc/70/68/49/378706849.db2.gz AVBCWWJUGDBSIF-NZSAHSFTSA-N 1 2 296.414 3.254 20 30 CGEDLO COCC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccco1 ZINC000347924230 378731122 /nfs/dbraw/zinc/73/11/22/378731122.db2.gz HLEBKUWYGALCPN-HNNXBMFYSA-N 1 2 288.322 3.158 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC000348243154 378860193 /nfs/dbraw/zinc/86/01/93/378860193.db2.gz SEGIUTAPLTWBRT-UHFFFAOYSA-N 1 2 269.392 3.307 20 30 CGEDLO C=C(C)C[N@H+](Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC000348243154 378860198 /nfs/dbraw/zinc/86/01/98/378860198.db2.gz SEGIUTAPLTWBRT-UHFFFAOYSA-N 1 2 269.392 3.307 20 30 CGEDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cs1 ZINC000348308632 378899652 /nfs/dbraw/zinc/89/96/52/378899652.db2.gz OXPQAUBRCYBOKG-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO Cn1cc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000276774610 378996273 /nfs/dbraw/zinc/99/62/73/378996273.db2.gz PMTSUYKWLWGJQC-INIZCTEOSA-N 1 2 285.778 3.497 20 30 CGEDLO Cn1cc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000276774610 378996281 /nfs/dbraw/zinc/99/62/81/378996281.db2.gz PMTSUYKWLWGJQC-INIZCTEOSA-N 1 2 285.778 3.497 20 30 CGEDLO N#Cc1cnccc1/C=C/c1[nH+]ccn1Cc1ccccc1 ZINC000349116269 379161380 /nfs/dbraw/zinc/16/13/80/379161380.db2.gz ZBFYAMIXAYIRNG-VOTSOKGWSA-N 1 2 286.338 3.368 20 30 CGEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccon1 ZINC000349830347 379409336 /nfs/dbraw/zinc/40/93/36/379409336.db2.gz FQDJSYHCUWPJFH-NXEZZACHSA-N 1 2 259.284 3.097 20 30 CGEDLO C=CC[N@@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000350262075 379533144 /nfs/dbraw/zinc/53/31/44/379533144.db2.gz HFIRIAYWJUTJEZ-NSHDSACASA-N 1 2 262.422 3.418 20 30 CGEDLO C=CC[N@H+](Cc1nc2c(s1)C[C@@H](C)CC2)C1CC1 ZINC000350262075 379533151 /nfs/dbraw/zinc/53/31/51/379533151.db2.gz HFIRIAYWJUTJEZ-NSHDSACASA-N 1 2 262.422 3.418 20 30 CGEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377300558 379660051 /nfs/dbraw/zinc/66/00/51/379660051.db2.gz WGVCNZHYPNMGRC-KRWDZBQOSA-N 1 2 298.773 3.261 20 30 CGEDLO N#Cc1ccc([C@@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377300558 379660059 /nfs/dbraw/zinc/66/00/59/379660059.db2.gz WGVCNZHYPNMGRC-KRWDZBQOSA-N 1 2 298.773 3.261 20 30 CGEDLO C=C(C)CN(C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000351536909 379726979 /nfs/dbraw/zinc/72/69/79/379726979.db2.gz PJELGVHDGDTILE-UHFFFAOYSA-N 1 2 297.402 3.338 20 30 CGEDLO C=C(C)CCc1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000351619303 379730887 /nfs/dbraw/zinc/73/08/87/379730887.db2.gz GYIQDIVVYWHHMZ-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=C(C)CCc1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000351619303 379730897 /nfs/dbraw/zinc/73/08/97/379730897.db2.gz GYIQDIVVYWHHMZ-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO Cc1nocc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000351751121 379741556 /nfs/dbraw/zinc/74/15/56/379741556.db2.gz GIUQFINKYAKRTQ-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nocc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000351751121 379741564 /nfs/dbraw/zinc/74/15/64/379741564.db2.gz GIUQFINKYAKRTQ-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000352447579 379818508 /nfs/dbraw/zinc/81/85/08/379818508.db2.gz BOHSBVIMUABNPU-UHFFFAOYSA-N 1 2 297.171 3.277 20 30 CGEDLO C=CC[NH+](CC=C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000411165801 380131677 /nfs/dbraw/zinc/13/16/77/380131677.db2.gz QPVSDTKIEORZBW-HNNXBMFYSA-N 1 2 290.794 3.119 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)CC(C)(C)C#N ZINC000354019684 380282796 /nfs/dbraw/zinc/28/27/96/380282796.db2.gz ZUAUSGRCFRJZJV-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)CC(C)(C)C#N ZINC000354019684 380282800 /nfs/dbraw/zinc/28/28/00/380282800.db2.gz ZUAUSGRCFRJZJV-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000354033076 380289880 /nfs/dbraw/zinc/28/98/80/380289880.db2.gz HRYHXBWZJOAIGZ-CYBMUJFWSA-N 1 2 280.375 3.201 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000354033076 380289887 /nfs/dbraw/zinc/28/98/87/380289887.db2.gz HRYHXBWZJOAIGZ-CYBMUJFWSA-N 1 2 280.375 3.201 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C)n1 ZINC000417776760 380676652 /nfs/dbraw/zinc/67/66/52/380676652.db2.gz BJLUQRNDAMSOHU-ROUUACIJSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C)n1 ZINC000417776760 380676658 /nfs/dbraw/zinc/67/66/58/380676658.db2.gz BJLUQRNDAMSOHU-ROUUACIJSA-N 1 2 294.402 3.000 20 30 CGEDLO C=C(C)[C@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccc(F)c(F)c1 ZINC000355736950 380764203 /nfs/dbraw/zinc/76/42/03/380764203.db2.gz VCFMDZFNKWTFCK-AWEZNQCLSA-N 1 2 291.301 3.044 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000419296788 380795131 /nfs/dbraw/zinc/79/51/31/380795131.db2.gz FSGXXCQFFPHUKH-AWEZNQCLSA-N 1 2 276.330 3.275 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000419296788 380795143 /nfs/dbraw/zinc/79/51/43/380795143.db2.gz FSGXXCQFFPHUKH-AWEZNQCLSA-N 1 2 276.330 3.275 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3cc(C#N)cs3)cc2[nH+]1 ZINC000359313471 381342401 /nfs/dbraw/zinc/34/24/01/381342401.db2.gz WBLPJKQEZHCPFR-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3cc(C#N)cs3)ccc2[nH+]1 ZINC000359313471 381342404 /nfs/dbraw/zinc/34/24/04/381342404.db2.gz WBLPJKQEZHCPFR-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000361150460 381657719 /nfs/dbraw/zinc/65/77/19/381657719.db2.gz AJSQJKIXLZIKLU-KCQAQPDRSA-N 1 2 270.380 3.084 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000361500267 381777358 /nfs/dbraw/zinc/77/73/58/381777358.db2.gz BYYGHLKRWRNUDC-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000361500267 381777364 /nfs/dbraw/zinc/77/73/64/381777364.db2.gz BYYGHLKRWRNUDC-UHFFFAOYSA-N 1 2 258.365 3.211 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(F)cc(F)c1)CC1CC1 ZINC000093091240 392234153 /nfs/dbraw/zinc/23/41/53/392234153.db2.gz JUCGWQRHUKNEEE-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO N#CCC[N@H+](Cc1cc(F)cc(F)c1)CC1CC1 ZINC000093091240 392234157 /nfs/dbraw/zinc/23/41/57/392234157.db2.gz JUCGWQRHUKNEEE-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO CCOc1c(Cl)cc(C[N@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090502 392234917 /nfs/dbraw/zinc/23/49/17/392234917.db2.gz XKHVMQXIDCQELI-LLVKDONJSA-N 1 2 296.798 3.481 20 30 CGEDLO CCOc1c(Cl)cc(C[N@@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090502 392234921 /nfs/dbraw/zinc/23/49/21/392234921.db2.gz XKHVMQXIDCQELI-LLVKDONJSA-N 1 2 296.798 3.481 20 30 CGEDLO N#CCC[N@@H+](CCc1ccccc1F)Cc1ccccn1 ZINC000121368768 392412889 /nfs/dbraw/zinc/41/28/89/392412889.db2.gz RVNHWVJFCUQNLO-UHFFFAOYSA-N 1 2 283.350 3.179 20 30 CGEDLO N#CCC[N@H+](CCc1ccccc1F)Cc1ccccn1 ZINC000121368768 392412894 /nfs/dbraw/zinc/41/28/94/392412894.db2.gz RVNHWVJFCUQNLO-UHFFFAOYSA-N 1 2 283.350 3.179 20 30 CGEDLO CCc1noc(C)c1CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000122627630 392423336 /nfs/dbraw/zinc/42/33/36/392423336.db2.gz KQVCWVHBTLTFFZ-UHFFFAOYSA-N 1 2 293.754 3.036 20 30 CGEDLO C=CCCCC(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000366909681 392458503 /nfs/dbraw/zinc/45/85/03/392458503.db2.gz RGFLYTGKQXSYCO-HNNXBMFYSA-N 1 2 292.810 3.169 20 30 CGEDLO C=CCCC[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301986697 392605881 /nfs/dbraw/zinc/60/58/81/392605881.db2.gz DANAGHAVRJAMGL-LLVKDONJSA-N 1 2 256.353 3.369 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn2ccccc2n1 ZINC000173551852 392626709 /nfs/dbraw/zinc/62/67/09/392626709.db2.gz RTZXOIUHNIWJOQ-UHFFFAOYSA-N 1 2 284.407 3.486 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn2ccccc2n1 ZINC000173551852 392626712 /nfs/dbraw/zinc/62/67/12/392626712.db2.gz RTZXOIUHNIWJOQ-UHFFFAOYSA-N 1 2 284.407 3.486 20 30 CGEDLO Cc1cc(N2CCC(C(F)(F)F)CC2)c(C#N)c[nH+]1 ZINC000335513194 392798123 /nfs/dbraw/zinc/79/81/23/392798123.db2.gz RYMRMBIRQNFHJL-UHFFFAOYSA-N 1 2 269.270 3.040 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC000191268837 392826666 /nfs/dbraw/zinc/82/66/66/392826666.db2.gz ISNFQMUXVBLFFK-UHFFFAOYSA-N 1 2 283.350 3.224 20 30 CGEDLO C=CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC000191268837 392826670 /nfs/dbraw/zinc/82/66/70/392826670.db2.gz ISNFQMUXVBLFFK-UHFFFAOYSA-N 1 2 283.350 3.224 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000338343589 392910492 /nfs/dbraw/zinc/91/04/92/392910492.db2.gz BZKMKLRKCYSIEP-NSHDSACASA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000338343589 392910495 /nfs/dbraw/zinc/91/04/95/392910495.db2.gz BZKMKLRKCYSIEP-NSHDSACASA-N 1 2 280.318 3.412 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000338365513 392912751 /nfs/dbraw/zinc/91/27/51/392912751.db2.gz HSWQJYUEPDJUJR-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000338365513 392912753 /nfs/dbraw/zinc/91/27/53/392912753.db2.gz HSWQJYUEPDJUJR-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000338567579 392921127 /nfs/dbraw/zinc/92/11/27/392921127.db2.gz YIULWHRVDYXUPK-AWEZNQCLSA-N 1 2 269.747 3.429 20 30 CGEDLO C=CCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000338567579 392921133 /nfs/dbraw/zinc/92/11/33/392921133.db2.gz YIULWHRVDYXUPK-AWEZNQCLSA-N 1 2 269.747 3.429 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000339086998 392947639 /nfs/dbraw/zinc/94/76/39/392947639.db2.gz RRBIKNYGSWIJTA-SCRDCRAPSA-N 1 2 282.347 3.079 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000404082323 392963055 /nfs/dbraw/zinc/96/30/55/392963055.db2.gz PORMDIRPAAOUSF-OAHLLOKOSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000404082323 392963061 /nfs/dbraw/zinc/96/30/61/392963061.db2.gz PORMDIRPAAOUSF-OAHLLOKOSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C#N)CC1 ZINC000195312268 392963649 /nfs/dbraw/zinc/96/36/49/392963649.db2.gz WBGIRHSRUOMGKR-UHFFFAOYSA-N 1 2 287.388 3.447 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531841227 392992047 /nfs/dbraw/zinc/99/20/47/392992047.db2.gz HQAORTDRPQXOLJ-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531841227 392992054 /nfs/dbraw/zinc/99/20/54/392992054.db2.gz HQAORTDRPQXOLJ-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@@H](C)C#N ZINC000346273867 393082708 /nfs/dbraw/zinc/08/27/08/393082708.db2.gz ISORSSFDJWHNIX-AWEZNQCLSA-N 1 2 296.374 3.250 20 30 CGEDLO CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@@H](C)C#N ZINC000346273867 393082717 /nfs/dbraw/zinc/08/27/17/393082717.db2.gz ISORSSFDJWHNIX-AWEZNQCLSA-N 1 2 296.374 3.250 20 30 CGEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348708949 393129186 /nfs/dbraw/zinc/12/91/86/393129186.db2.gz AVUJBRUVGNDRDB-AAEUAGOBSA-N 1 2 262.328 3.231 20 30 CGEDLO C=Cn1cc(C[N@@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cn1 ZINC000348871569 393133753 /nfs/dbraw/zinc/13/37/53/393133753.db2.gz YAQRUUUSJLYDHI-UHFFFAOYSA-N 1 2 299.422 3.339 20 30 CGEDLO C=Cn1cc(C[N@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cn1 ZINC000348871569 393133757 /nfs/dbraw/zinc/13/37/57/393133757.db2.gz YAQRUUUSJLYDHI-UHFFFAOYSA-N 1 2 299.422 3.339 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccon1 ZINC000349241374 393140505 /nfs/dbraw/zinc/14/05/05/393140505.db2.gz KPMJTRYYFHVAOJ-NSHDSACASA-N 1 2 260.724 3.030 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC000547962194 393162429 /nfs/dbraw/zinc/16/24/29/393162429.db2.gz YTXBMGJJYQFDJO-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2Cl)C1=O ZINC000281921285 393369984 /nfs/dbraw/zinc/36/99/84/393369984.db2.gz HEINNHUHVVUDBC-SWLSCSKDSA-N 1 2 292.810 3.120 20 30 CGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2Cl)C1=O ZINC000281921285 393369993 /nfs/dbraw/zinc/36/99/93/393369993.db2.gz HEINNHUHVVUDBC-SWLSCSKDSA-N 1 2 292.810 3.120 20 30 CGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2Cl)C1=O ZINC000281921278 393370942 /nfs/dbraw/zinc/37/09/42/393370942.db2.gz HEINNHUHVVUDBC-DOMZBBRYSA-N 1 2 292.810 3.120 20 30 CGEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2Cl)C1=O ZINC000281921278 393370950 /nfs/dbraw/zinc/37/09/50/393370950.db2.gz HEINNHUHVVUDBC-DOMZBBRYSA-N 1 2 292.810 3.120 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(CC(F)(F)F)CC2)n1 ZINC000356338025 393423290 /nfs/dbraw/zinc/42/32/90/393423290.db2.gz HJBRPFHYZSAAMC-UHFFFAOYSA-N 1 2 289.326 3.179 20 30 CGEDLO Cn1c2ccccc2[nH+]c1CCSc1cc(C#N)ccn1 ZINC000357697596 393515137 /nfs/dbraw/zinc/51/51/37/393515137.db2.gz YAMSJUWYXMZHJJ-UHFFFAOYSA-N 1 2 294.383 3.175 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000443675690 393770204 /nfs/dbraw/zinc/77/02/04/393770204.db2.gz RYEDVZREJRVWFO-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000443675690 393770206 /nfs/dbraw/zinc/77/02/06/393770206.db2.gz RYEDVZREJRVWFO-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO CC1(C)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)[C@H]1C#N ZINC000450857311 394037230 /nfs/dbraw/zinc/03/72/30/394037230.db2.gz JLDHBBHFPFGUNK-NEPJUHHUSA-N 1 2 256.340 3.436 20 30 CGEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)[C@H]1C#N ZINC000450857311 394037237 /nfs/dbraw/zinc/03/72/37/394037237.db2.gz JLDHBBHFPFGUNK-NEPJUHHUSA-N 1 2 256.340 3.436 20 30 CGEDLO Cc1cc(Cl)cnc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000361254603 397687746 /nfs/dbraw/zinc/68/77/46/397687746.db2.gz ZQXPABBYSHDPLM-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000678331923 543514732 /nfs/dbraw/zinc/51/47/32/543514732.db2.gz BQWVCRSEJKVGGY-AWEZNQCLSA-N 1 2 267.376 3.310 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000678331923 543514733 /nfs/dbraw/zinc/51/47/33/543514733.db2.gz BQWVCRSEJKVGGY-AWEZNQCLSA-N 1 2 267.376 3.310 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)s1 ZINC000044296845 175161502 /nfs/dbraw/zinc/16/15/02/175161502.db2.gz UAOUKJFCKOJORC-MRVPVSSYSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000044296845 175161503 /nfs/dbraw/zinc/16/15/03/175161503.db2.gz UAOUKJFCKOJORC-MRVPVSSYSA-N 1 2 273.199 3.102 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)C/C(C)=C/c2ccccc2)nn1 ZINC000653641832 419063364 /nfs/dbraw/zinc/06/33/64/419063364.db2.gz LKNLPPBHQIRFDU-FOWTUZBSSA-N 1 2 296.418 3.390 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)C/C(C)=C/c2ccccc2)nn1 ZINC000653641832 419063368 /nfs/dbraw/zinc/06/33/68/419063368.db2.gz LKNLPPBHQIRFDU-FOWTUZBSSA-N 1 2 296.418 3.390 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3C#N)cs2)o1 ZINC000331412715 228098622 /nfs/dbraw/zinc/09/86/22/228098622.db2.gz PVYFYGPAFDFBNF-WCQYABFASA-N 1 2 287.388 3.493 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000356050615 228100374 /nfs/dbraw/zinc/10/03/74/228100374.db2.gz GBNKEFALFZGJAS-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000356050615 228100375 /nfs/dbraw/zinc/10/03/75/228100375.db2.gz GBNKEFALFZGJAS-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000352092685 228181701 /nfs/dbraw/zinc/18/17/01/228181701.db2.gz VRPJZCCVVWLDPJ-LLVKDONJSA-N 1 2 288.782 3.322 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000352092685 228181702 /nfs/dbraw/zinc/18/17/02/228181702.db2.gz VRPJZCCVVWLDPJ-LLVKDONJSA-N 1 2 288.782 3.322 20 30 CGEDLO C=CC[N@@H+](Cc1cc(COC)on1)Cc1ccccc1 ZINC000297843908 260136160 /nfs/dbraw/zinc/13/61/60/260136160.db2.gz OCUHQWNFGQJKIV-UHFFFAOYSA-N 1 2 272.348 3.009 20 30 CGEDLO C=CC[N@H+](Cc1cc(COC)on1)Cc1ccccc1 ZINC000297843908 260136162 /nfs/dbraw/zinc/13/61/62/260136162.db2.gz OCUHQWNFGQJKIV-UHFFFAOYSA-N 1 2 272.348 3.009 20 30 CGEDLO N#C[C@@H]1[N@H+](CCC2CCCC2)CCC[C@]12CCCCO2 ZINC000447912473 260163218 /nfs/dbraw/zinc/16/32/18/260163218.db2.gz KDMOGCVUNPBHEJ-DLBZAZTESA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@@H]1[N@@H+](CCC2CCCC2)CCC[C@]12CCCCO2 ZINC000447912473 260163219 /nfs/dbraw/zinc/16/32/19/260163219.db2.gz KDMOGCVUNPBHEJ-DLBZAZTESA-N 1 2 276.424 3.494 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(F)c1F)CC1CC1 ZINC000081043630 260329682 /nfs/dbraw/zinc/32/96/82/260329682.db2.gz AGIJAPORVVMUDE-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(F)c1F)CC1CC1 ZINC000081043630 260329684 /nfs/dbraw/zinc/32/96/84/260329684.db2.gz AGIJAPORVVMUDE-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000093091157 260508947 /nfs/dbraw/zinc/50/89/47/260508947.db2.gz LMWCZWFEIBAOPF-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000093091157 260508948 /nfs/dbraw/zinc/50/89/48/260508948.db2.gz LMWCZWFEIBAOPF-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ncn1 ZINC000428982059 260804522 /nfs/dbraw/zinc/80/45/22/260804522.db2.gz AGSZPVDQHQXEAL-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)ncn1 ZINC000428982059 260804523 /nfs/dbraw/zinc/80/45/23/260804523.db2.gz AGSZPVDQHQXEAL-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C[C@H](CC#N)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000160314642 261437125 /nfs/dbraw/zinc/43/71/25/261437125.db2.gz NCHOQNZQIIYOES-GFCCVEGCSA-N 1 2 296.330 3.298 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184080879 262007464 /nfs/dbraw/zinc/00/74/64/262007464.db2.gz TWATZGGFVMBBRM-SNVBAGLBSA-N 1 2 267.716 3.030 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185610165 262061564 /nfs/dbraw/zinc/06/15/64/262061564.db2.gz GUDKSCLZWDDNRE-HNNXBMFYSA-N 1 2 278.783 3.407 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185610165 262061565 /nfs/dbraw/zinc/06/15/65/262061565.db2.gz GUDKSCLZWDDNRE-HNNXBMFYSA-N 1 2 278.783 3.407 20 30 CGEDLO C[C@@H](C#N)CN(C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338164524 262509578 /nfs/dbraw/zinc/50/95/78/262509578.db2.gz MSLOKWJKWGRELW-ZDUSSCGKSA-N 1 2 295.342 3.106 20 30 CGEDLO C[C@H](C#N)CN(Cc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000338374569 262529922 /nfs/dbraw/zinc/52/99/22/262529922.db2.gz DGUFNHLYWIGTSI-LLVKDONJSA-N 1 2 288.782 3.112 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000273894451 263020355 /nfs/dbraw/zinc/02/03/55/263020355.db2.gz UOQWXZZCMNIBGO-NSHDSACASA-N 1 2 267.716 3.030 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000276308820 263036029 /nfs/dbraw/zinc/03/60/29/263036029.db2.gz LLVZCIWMSSTLLU-YRGRVCCFSA-N 1 2 264.394 3.202 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000276308820 263036030 /nfs/dbraw/zinc/03/60/30/263036030.db2.gz LLVZCIWMSSTLLU-YRGRVCCFSA-N 1 2 264.394 3.202 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000278521887 263048595 /nfs/dbraw/zinc/04/85/95/263048595.db2.gz OWCLCHBGGFYKFF-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000278521887 263048596 /nfs/dbraw/zinc/04/85/96/263048596.db2.gz OWCLCHBGGFYKFF-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO Cc1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)nn1C ZINC000282013574 263073616 /nfs/dbraw/zinc/07/36/16/263073616.db2.gz DRVWVQCZPQWQDI-GOEBONIOSA-N 1 2 282.391 3.424 20 30 CGEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc2O1 ZINC000288996755 263106974 /nfs/dbraw/zinc/10/69/74/263106974.db2.gz LZTPTBDLAHHKLE-CQSZACIVSA-N 1 2 283.375 3.103 20 30 CGEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc2O1 ZINC000288996755 263106975 /nfs/dbraw/zinc/10/69/75/263106975.db2.gz LZTPTBDLAHHKLE-CQSZACIVSA-N 1 2 283.375 3.103 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289145553 263107789 /nfs/dbraw/zinc/10/77/89/263107789.db2.gz PUOCNCVNXZCZNW-UFFNRZRYSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289145553 263107790 /nfs/dbraw/zinc/10/77/90/263107790.db2.gz PUOCNCVNXZCZNW-UFFNRZRYSA-N 1 2 250.292 3.069 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000292239232 263129850 /nfs/dbraw/zinc/12/98/50/263129850.db2.gz QCVMXCJRSUYXMU-UHFFFAOYSA-N 1 2 286.375 3.153 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000292239232 263129851 /nfs/dbraw/zinc/12/98/51/263129851.db2.gz QCVMXCJRSUYXMU-UHFFFAOYSA-N 1 2 286.375 3.153 20 30 CGEDLO Cc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c(C)[nH+]1 ZINC000297903075 263211795 /nfs/dbraw/zinc/21/17/95/263211795.db2.gz YVAXSMLZAVBQFF-MRXNPFEDSA-N 1 2 269.348 3.111 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343253186 264209707 /nfs/dbraw/zinc/20/97/07/264209707.db2.gz APDCEYPUBBILSQ-OAHLLOKOSA-N 1 2 297.402 3.406 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000127799507 264269876 /nfs/dbraw/zinc/26/98/76/264269876.db2.gz RAPHTUIBRYDENG-CQSZACIVSA-N 1 2 283.318 3.237 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000127799507 264269878 /nfs/dbraw/zinc/26/98/78/264269878.db2.gz RAPHTUIBRYDENG-CQSZACIVSA-N 1 2 283.318 3.237 20 30 CGEDLO N#CCC[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000426000193 264304606 /nfs/dbraw/zinc/30/46/06/264304606.db2.gz ROEHTVRSKLMFKT-UHFFFAOYSA-N 1 2 254.308 3.496 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@@H](CC)O1 ZINC000398540892 266379876 /nfs/dbraw/zinc/37/98/76/266379876.db2.gz UUBOYKFWXBJGSR-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC(C)(C)c1cnc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418138552 267361058 /nfs/dbraw/zinc/36/10/58/267361058.db2.gz GLVGIFCDZLCKPR-UHFFFAOYSA-N 1 2 263.410 3.224 20 30 CGEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(Cl)c1OC ZINC000418143101 267365749 /nfs/dbraw/zinc/36/57/49/267365749.db2.gz OTTHKFALDLWRHL-UHFFFAOYSA-N 1 2 294.782 3.141 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000528771083 270172678 /nfs/dbraw/zinc/17/26/78/270172678.db2.gz WTNKJNPOTYXIKV-JTQLQIEISA-N 1 2 268.282 3.317 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000528771083 270172679 /nfs/dbraw/zinc/17/26/79/270172679.db2.gz WTNKJNPOTYXIKV-JTQLQIEISA-N 1 2 268.282 3.317 20 30 CGEDLO Cc1nc(C[NH2+]Cc2cc(C#N)cs2)nc2ccccc12 ZINC000531117417 268076975 /nfs/dbraw/zinc/07/69/75/268076975.db2.gz LBBWMXQRWYSMKM-UHFFFAOYSA-N 1 2 294.383 3.161 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cscn1 ZINC000551917596 289139839 /nfs/dbraw/zinc/13/98/39/289139839.db2.gz HITAVAPOEJDQCB-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO CCOC1CC(CC/[NH+]=C/c2cccc(OC)c2O)C1 ZINC000189648600 327867803 /nfs/dbraw/zinc/86/78/03/327867803.db2.gz YBTHZDJYMGIOMW-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO CC[C@@H](CC#N)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338180490 327969507 /nfs/dbraw/zinc/96/95/07/327969507.db2.gz MQQZUQRTTYVSHK-ZDUSSCGKSA-N 1 2 295.342 3.296 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2([C@H](O)C(C)C)CC2)c1 ZINC000271824636 328197862 /nfs/dbraw/zinc/19/78/62/328197862.db2.gz POVCEGSSGNOLOZ-VHWUNXFSSA-N 1 2 291.391 3.007 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000287501635 328251492 /nfs/dbraw/zinc/25/14/92/328251492.db2.gz LNCLJKHRFBILOY-CQSZACIVSA-N 1 2 279.428 3.455 20 30 CGEDLO N#CCC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292280983 328269169 /nfs/dbraw/zinc/26/91/69/328269169.db2.gz BTLCFFLLXPHSMT-ZDUSSCGKSA-N 1 2 266.797 3.420 20 30 CGEDLO N#CCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292280983 328269171 /nfs/dbraw/zinc/26/91/71/328269171.db2.gz BTLCFFLLXPHSMT-ZDUSSCGKSA-N 1 2 266.797 3.420 20 30 CGEDLO C[N@H+](Cc1c(F)cccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000293276428 328274989 /nfs/dbraw/zinc/27/49/89/328274989.db2.gz CGPRQLFVTSNFSZ-MNOVXSKESA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1c(F)cccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000293276428 328274990 /nfs/dbraw/zinc/27/49/90/328274990.db2.gz CGPRQLFVTSNFSZ-MNOVXSKESA-N 1 2 250.292 3.089 20 30 CGEDLO Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc(-c2cccnc2)[nH+]1 ZINC000295047909 328284374 /nfs/dbraw/zinc/28/43/74/328284374.db2.gz UEGYCNXTUSECMM-ZFWWWQNUSA-N 1 2 293.374 3.341 20 30 CGEDLO N#CCC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296455990 328290573 /nfs/dbraw/zinc/29/05/73/328290573.db2.gz WVKJAZYNRXEZKV-UHFFFAOYSA-N 1 2 289.326 3.255 20 30 CGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(C(F)F)c1C#N ZINC000568664386 322218047 /nfs/dbraw/zinc/21/80/47/322218047.db2.gz RKTSVLRJXFBMRN-JTQLQIEISA-N 1 2 276.290 3.193 20 30 CGEDLO CCC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000534663836 328351494 /nfs/dbraw/zinc/35/14/94/328351494.db2.gz VOTBXQOBHNCUDV-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CCC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000534663836 328351496 /nfs/dbraw/zinc/35/14/96/328351496.db2.gz VOTBXQOBHNCUDV-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CC(C)(C#N)CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000534954320 328373491 /nfs/dbraw/zinc/37/34/91/328373491.db2.gz OZOVTLPAHJHTEJ-TWGQIWQCSA-N 1 2 297.446 3.257 20 30 CGEDLO Cc1c[nH+]c(CNc2cccc(OCCCC#N)c2)n1C ZINC000341160373 328404167 /nfs/dbraw/zinc/40/41/67/328404167.db2.gz ZVLGXJOASGRYFR-UHFFFAOYSA-N 1 2 284.363 3.023 20 30 CGEDLO C=CC(C)(C)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425311547 328453847 /nfs/dbraw/zinc/45/38/47/328453847.db2.gz IPIUYUCYXZLEAS-OAHLLOKOSA-N 1 2 297.402 3.260 20 30 CGEDLO CC#CC[N@H+](C)Cc1cc(F)ccc1Br ZINC000559458347 327246221 /nfs/dbraw/zinc/24/62/21/327246221.db2.gz GBLPQXDOBRVLFO-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cc(F)ccc1Br ZINC000559458347 327246223 /nfs/dbraw/zinc/24/62/23/327246223.db2.gz GBLPQXDOBRVLFO-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)cc1 ZINC000377615625 329020318 /nfs/dbraw/zinc/02/03/18/329020318.db2.gz MVKSYUVGFZOPRT-MRXNPFEDSA-N 1 2 281.359 3.087 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)cc1 ZINC000377615625 329020319 /nfs/dbraw/zinc/02/03/19/329020319.db2.gz MVKSYUVGFZOPRT-MRXNPFEDSA-N 1 2 281.359 3.087 20 30 CGEDLO N#C[C@H]1C[N@H+](Cc2cccc3ccccc32)CCN1C1CC1 ZINC000360093105 329071570 /nfs/dbraw/zinc/07/15/70/329071570.db2.gz PFYRMYYUXAKSEI-SFHVURJKSA-N 1 2 291.398 3.012 20 30 CGEDLO N#C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CCN1C1CC1 ZINC000360093105 329071571 /nfs/dbraw/zinc/07/15/71/329071571.db2.gz PFYRMYYUXAKSEI-SFHVURJKSA-N 1 2 291.398 3.012 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000174005010 329156780 /nfs/dbraw/zinc/15/67/80/329156780.db2.gz LKCJLVLJRHOUHW-LLVKDONJSA-N 1 2 254.399 3.249 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000174005010 329156781 /nfs/dbraw/zinc/15/67/81/329156781.db2.gz LKCJLVLJRHOUHW-LLVKDONJSA-N 1 2 254.399 3.249 20 30 CGEDLO C=C(C)C[N@H+](Cc1cc(C(C)=O)no1)Cc1ccccc1 ZINC000521455603 329205167 /nfs/dbraw/zinc/20/51/67/329205167.db2.gz LTQRETBKWVPBHK-UHFFFAOYSA-N 1 2 284.359 3.456 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cc(C(C)=O)no1)Cc1ccccc1 ZINC000521455603 329205169 /nfs/dbraw/zinc/20/51/69/329205169.db2.gz LTQRETBKWVPBHK-UHFFFAOYSA-N 1 2 284.359 3.456 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000181314701 329231140 /nfs/dbraw/zinc/23/11/40/329231140.db2.gz HXWRHHQAWSXUFB-UHFFFAOYSA-N 1 2 297.280 3.162 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000181314701 329231142 /nfs/dbraw/zinc/23/11/42/329231142.db2.gz HXWRHHQAWSXUFB-UHFFFAOYSA-N 1 2 297.280 3.162 20 30 CGEDLO CC[N@@H+](Cc1nc2ccc(OC)cc2s1)C[C@@H](C)C#N ZINC000186903890 329349868 /nfs/dbraw/zinc/34/98/68/329349868.db2.gz LCUJKVMKCPOPEH-NSHDSACASA-N 1 2 289.404 3.286 20 30 CGEDLO CC[N@H+](Cc1nc2ccc(OC)cc2s1)C[C@@H](C)C#N ZINC000186903890 329349869 /nfs/dbraw/zinc/34/98/69/329349869.db2.gz LCUJKVMKCPOPEH-NSHDSACASA-N 1 2 289.404 3.286 20 30 CGEDLO Cc1csc([C@@H]2COCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000189259518 329379047 /nfs/dbraw/zinc/37/90/47/329379047.db2.gz JJGXQUXBKVQRPZ-ZDUSSCGKSA-N 1 2 293.436 3.155 20 30 CGEDLO Cc1csc([C@@H]2COCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000189259518 329379048 /nfs/dbraw/zinc/37/90/48/329379048.db2.gz JJGXQUXBKVQRPZ-ZDUSSCGKSA-N 1 2 293.436 3.155 20 30 CGEDLO Cc1cc(N)nc(SCC#Cc2ccccc2Cl)[nH+]1 ZINC000162737737 330110657 /nfs/dbraw/zinc/11/06/57/330110657.db2.gz IWSPBDFKOZBICI-UHFFFAOYSA-N 1 2 289.791 3.164 20 30 CGEDLO C=CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 ZINC000532965514 330323514 /nfs/dbraw/zinc/32/35/14/330323514.db2.gz JHIPCAIOWHSFPR-OAHLLOKOSA-N 1 2 293.794 3.452 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000057907596 330381075 /nfs/dbraw/zinc/38/10/75/330381075.db2.gz UWUQCRACTCMXPV-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO C=CCN(c1cc[nH+]c2c(OC)cccc12)C1CC1 ZINC000440667964 330753849 /nfs/dbraw/zinc/75/38/49/330753849.db2.gz JQCHRHOBNHUKJO-UHFFFAOYSA-N 1 2 254.333 3.398 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000449960916 330956617 /nfs/dbraw/zinc/95/66/17/330956617.db2.gz SAEKZRGPYHIIKV-OAHLLOKOSA-N 1 2 289.423 3.162 20 30 CGEDLO C=CCC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000450138179 330963179 /nfs/dbraw/zinc/96/31/79/330963179.db2.gz YIBAGERHTYZVTD-UHFFFAOYSA-N 1 2 297.402 3.477 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(NCC(C)(C)C#N)c2c1 ZINC000450435201 330979416 /nfs/dbraw/zinc/97/94/16/330979416.db2.gz ORCOTQWSIVMCJH-UHFFFAOYSA-N 1 2 283.375 3.406 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000450810791 331000622 /nfs/dbraw/zinc/00/06/22/331000622.db2.gz YXFWCBYFGLHXQM-CABCVRRESA-N 1 2 254.333 3.380 20 30 CGEDLO C=CCCCc1nc(CCc2[nH+]cccc2C)no1 ZINC000453231642 331104568 /nfs/dbraw/zinc/10/45/68/331104568.db2.gz SZXVUKRPOFLPDN-UHFFFAOYSA-N 1 2 257.337 3.067 20 30 CGEDLO COCC[N@H+](CC#N)CC1CCC(c2ccccc2)CC1 ZINC000453602834 331135983 /nfs/dbraw/zinc/13/59/83/331135983.db2.gz WXLWSFMXCKTLHJ-UHFFFAOYSA-N 1 2 286.419 3.432 20 30 CGEDLO COCC[N@@H+](CC#N)CC1CCC(c2ccccc2)CC1 ZINC000453602834 331135984 /nfs/dbraw/zinc/13/59/84/331135984.db2.gz WXLWSFMXCKTLHJ-UHFFFAOYSA-N 1 2 286.419 3.432 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000489440592 332052660 /nfs/dbraw/zinc/05/26/60/332052660.db2.gz SSNZRSMBWHEVRF-CYBMUJFWSA-N 1 2 272.396 3.031 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000489440592 332052661 /nfs/dbraw/zinc/05/26/61/332052661.db2.gz SSNZRSMBWHEVRF-CYBMUJFWSA-N 1 2 272.396 3.031 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(F)cc1 ZINC000491338899 332192702 /nfs/dbraw/zinc/19/27/02/332192702.db2.gz MJCMWKUOXKFLLR-MRXNPFEDSA-N 1 2 297.329 3.061 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(C=C)c1)c1ccc(Cl)cc1F ZINC000491438486 332211223 /nfs/dbraw/zinc/21/12/23/332211223.db2.gz CSSYUMBPLFPETI-HNNXBMFYSA-N 1 2 289.741 3.240 20 30 CGEDLO C=C1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000491577012 332241068 /nfs/dbraw/zinc/24/10/68/332241068.db2.gz RJRCULLJOWNEBS-QPJJXVBHSA-N 1 2 293.370 3.064 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(F)cc1 ZINC000491801182 332355522 /nfs/dbraw/zinc/35/55/22/332355522.db2.gz BRDMYMLVNQBODG-QGZVFWFLSA-N 1 2 299.345 3.307 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1F ZINC000491810329 332362934 /nfs/dbraw/zinc/36/29/34/332362934.db2.gz HWQXHXDOLWSHKY-OAHLLOKOSA-N 1 2 276.742 3.282 20 30 CGEDLO C=CCOc1cccc(NC(=O)/C=C\c2[nH+]ccn2CC)c1 ZINC000492407705 332396055 /nfs/dbraw/zinc/39/60/55/332396055.db2.gz LECHCUGYHQBWLY-HJWRWDBZSA-N 1 2 297.358 3.120 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(F)cc(F)c2)c1 ZINC000547340110 334081152 /nfs/dbraw/zinc/08/11/52/334081152.db2.gz WKDJRSGSNPNUSS-UHFFFAOYSA-N 1 2 259.259 3.038 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)nc1 ZINC000577505926 335361582 /nfs/dbraw/zinc/36/15/82/335361582.db2.gz NIOFBFWYEIJMPM-KRWDZBQOSA-N 1 2 299.324 3.163 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)nc1 ZINC000577505926 335361583 /nfs/dbraw/zinc/36/15/83/335361583.db2.gz NIOFBFWYEIJMPM-KRWDZBQOSA-N 1 2 299.324 3.163 20 30 CGEDLO Cc1[nH+]cccc1Cc1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000351241113 335586458 /nfs/dbraw/zinc/58/64/58/335586458.db2.gz YCHXZYPWTLAZGC-QGZVFWFLSA-N 1 2 294.358 3.089 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2sccc2C#N)c(C)[nH+]1 ZINC000194594117 336030586 /nfs/dbraw/zinc/03/05/86/336030586.db2.gz JNNQHJYJMJEVMN-UHFFFAOYSA-N 1 2 271.345 3.192 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)on1 ZINC000335746434 500965083 /nfs/dbraw/zinc/96/50/83/500965083.db2.gz AESDDDBPVRNCPR-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)on1 ZINC000335746434 500965088 /nfs/dbraw/zinc/96/50/88/500965088.db2.gz AESDDDBPVRNCPR-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO C=C(Br)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000184011270 518582226 /nfs/dbraw/zinc/58/22/26/518582226.db2.gz CETOSZXDIXXBRL-QMMMGPOBSA-N 1 2 275.215 3.087 20 30 CGEDLO C=C(Br)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000184011270 518582233 /nfs/dbraw/zinc/58/22/33/518582233.db2.gz CETOSZXDIXXBRL-QMMMGPOBSA-N 1 2 275.215 3.087 20 30 CGEDLO C=C1CC[NH+](Cc2c(Cl)cccc2C(=O)OC)CC1 ZINC000352023823 526904503 /nfs/dbraw/zinc/90/45/03/526904503.db2.gz AUFVJYUBIAAMJN-UHFFFAOYSA-N 1 2 279.767 3.279 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000352519493 527014766 /nfs/dbraw/zinc/01/47/66/527014766.db2.gz PADDKEGZRYZTKP-UHFFFAOYSA-N 1 2 297.402 3.264 20 30 CGEDLO C=CC[C@@H](CO)CNc1[nH+]cccc1OCc1ccccc1 ZINC000354576593 527083719 /nfs/dbraw/zinc/08/37/19/527083719.db2.gz VUGOCEIVLSMPSP-MRXNPFEDSA-N 1 2 298.386 3.257 20 30 CGEDLO C=C[C@@H](C)NC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000354778701 527400127 /nfs/dbraw/zinc/40/01/27/527400127.db2.gz GZPFHNKOCLFECK-CYBMUJFWSA-N 1 2 285.391 3.070 20 30 CGEDLO CN(CCCn1cc[nH+]c1)c1cccc(C(F)F)c1C#N ZINC000516785096 536364274 /nfs/dbraw/zinc/36/42/74/536364274.db2.gz FMMCLUAAVSKYCK-UHFFFAOYSA-N 1 2 290.317 3.219 20 30 CGEDLO C(=[NH+]NC1CCCC1)c1ccc(N2CCCCC2)o1 ZINC000727651806 571760332 /nfs/dbraw/zinc/76/03/32/571760332.db2.gz AXHBBFBRTSMHST-UHFFFAOYSA-N 1 2 261.369 3.136 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H](O)C2CCCCC2)c(O)c1 ZINC000727685684 571763120 /nfs/dbraw/zinc/76/31/20/571763120.db2.gz WWLRGMZIYRHAPC-SZLZGVTBSA-N 1 2 291.391 3.151 20 30 CGEDLO CCCCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728541252 571811462 /nfs/dbraw/zinc/81/14/62/571811462.db2.gz FUMQLEJZYOZTPE-HNNXBMFYSA-N 1 2 277.412 3.407 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000741465847 572412344 /nfs/dbraw/zinc/41/23/44/572412344.db2.gz YVZNJLZGRYAKIC-ZIQYSZGKSA-N 1 2 281.355 3.451 20 30 CGEDLO C#CCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000733634830 572592430 /nfs/dbraw/zinc/59/24/30/572592430.db2.gz VJNCPUSCMQPZJX-UHFFFAOYSA-N 1 2 281.315 3.019 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CC(C1CC1)C1CC1 ZINC000743043795 572635619 /nfs/dbraw/zinc/63/56/19/572635619.db2.gz ADCXLUYFYRHZEJ-LICLKQGHSA-N 1 2 259.349 3.256 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000746456941 572871755 /nfs/dbraw/zinc/87/17/55/572871755.db2.gz STXBJODIXJVWQH-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000746456941 572871757 /nfs/dbraw/zinc/87/17/57/572871757.db2.gz STXBJODIXJVWQH-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000746456583 572872063 /nfs/dbraw/zinc/87/20/63/572872063.db2.gz AYJUWWNNJJLHRB-UHFFFAOYSA-N 1 2 292.382 3.247 20 30 CGEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000746456583 572872065 /nfs/dbraw/zinc/87/20/65/572872065.db2.gz AYJUWWNNJJLHRB-UHFFFAOYSA-N 1 2 292.382 3.247 20 30 CGEDLO C=C(Br)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000747531292 572934184 /nfs/dbraw/zinc/93/41/84/572934184.db2.gz HPNWBNHEYQXGHN-JTQLQIEISA-N 1 2 252.155 3.472 20 30 CGEDLO C=C(Br)C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000747531292 572934186 /nfs/dbraw/zinc/93/41/86/572934186.db2.gz HPNWBNHEYQXGHN-JTQLQIEISA-N 1 2 252.155 3.472 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@H]2COc3ccccc3C2)c1O ZINC000747713322 572942773 /nfs/dbraw/zinc/94/27/73/572942773.db2.gz SDRQOPALLVVQKP-JFENUBAZSA-N 1 2 297.354 3.071 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4ccccc4C3=O)n21 ZINC000748995132 572987877 /nfs/dbraw/zinc/98/78/77/572987877.db2.gz WFKMDCMDBWRPEP-UVTDQMKNSA-N 1 2 274.323 3.465 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H]2CCCSC2)c(O)c1 ZINC000749007572 572988165 /nfs/dbraw/zinc/98/81/65/572988165.db2.gz JKIIEUKMMOGTOG-KMHUVPDISA-N 1 2 265.378 3.105 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1c(F)cccc1Br ZINC000308521724 618957411 /nfs/dbraw/zinc/95/74/11/618957411.db2.gz TVWQIKLKGJMEJM-UHFFFAOYSA-N 1 2 278.552 3.430 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000957340117 613318712 /nfs/dbraw/zinc/31/87/12/613318712.db2.gz CEIVSHWQXNNZKZ-MRXNPFEDSA-N 1 2 296.430 3.015 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000981841671 613373810 /nfs/dbraw/zinc/37/38/10/613373810.db2.gz OAYWPMRUYWBPCH-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000981841671 613373811 /nfs/dbraw/zinc/37/38/11/613373811.db2.gz OAYWPMRUYWBPCH-HIFRSBDPSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964775493 613375810 /nfs/dbraw/zinc/37/58/10/613375810.db2.gz SIRVWWRYEQAVDA-IUODEOHRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964775493 613375811 /nfs/dbraw/zinc/37/58/11/613375811.db2.gz SIRVWWRYEQAVDA-IUODEOHRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946252 613380004 /nfs/dbraw/zinc/38/00/04/613380004.db2.gz MPTYXUJRGTXBFB-QWHCGFSZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946252 613380005 /nfs/dbraw/zinc/38/00/05/613380005.db2.gz MPTYXUJRGTXBFB-QWHCGFSZSA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(Cl)cn2)ccc1F ZINC000120195439 617628226 /nfs/dbraw/zinc/62/82/26/617628226.db2.gz AAVMAGWVZPVZME-UHFFFAOYSA-N 1 2 293.729 3.020 20 30 CGEDLO CCOCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000254963894 617693534 /nfs/dbraw/zinc/69/35/34/617693534.db2.gz HBLXWWUTOFRIDL-ATVHPVEESA-N 1 2 257.333 3.391 20 30 CGEDLO CCCCCCCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900320104 620780280 /nfs/dbraw/zinc/78/02/80/620780280.db2.gz ASHLRGNXTSDZKH-UHFFFAOYSA-N 1 2 265.401 3.161 20 30 CGEDLO CC[C@H]([NH2+]CC1(SC)CC1)c1cccc(C#N)c1O ZINC000926317736 618451840 /nfs/dbraw/zinc/45/18/40/618451840.db2.gz URCDPCKKULYDMI-ZDUSSCGKSA-N 1 2 276.405 3.200 20 30 CGEDLO N#Cc1cc(C[NH+]2CCN(c3cccs3)CC2)cs1 ZINC000892121707 618542318 /nfs/dbraw/zinc/54/23/18/618542318.db2.gz OYERKAFLTAMADF-UHFFFAOYSA-N 1 2 289.429 3.003 20 30 CGEDLO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c2c(n1)CCCC2 ZINC000892195189 618585745 /nfs/dbraw/zinc/58/57/45/618585745.db2.gz NOVCQCIAXSFBPE-CYBMUJFWSA-N 1 2 283.419 3.393 20 30 CGEDLO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)c2c(n1)CCCC2 ZINC000892195189 618585746 /nfs/dbraw/zinc/58/57/46/618585746.db2.gz NOVCQCIAXSFBPE-CYBMUJFWSA-N 1 2 283.419 3.393 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1noc(-c2ccccc2)n1 ZINC000934462351 618623729 /nfs/dbraw/zinc/62/37/29/618623729.db2.gz SYSCWHBUBIQNKE-TZMCWYRMSA-N 1 2 269.348 3.448 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1noc(-c2ccccc2)n1 ZINC000934462351 618623731 /nfs/dbraw/zinc/62/37/31/618623731.db2.gz SYSCWHBUBIQNKE-TZMCWYRMSA-N 1 2 269.348 3.448 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008081414 619050335 /nfs/dbraw/zinc/05/03/35/619050335.db2.gz DVTAMTSMNDLHEX-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008081414 619050336 /nfs/dbraw/zinc/05/03/36/619050336.db2.gz DVTAMTSMNDLHEX-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000893565896 619224110 /nfs/dbraw/zinc/22/41/10/619224110.db2.gz UXACORHWAKYDDJ-CQSZACIVSA-N 1 2 297.333 3.059 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc(Cl)n1 ZINC000879309796 619491041 /nfs/dbraw/zinc/49/10/41/619491041.db2.gz QHCGPIDXBJCROR-OLZOCXBDSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc(Cl)n1 ZINC000879309796 619491045 /nfs/dbraw/zinc/49/10/45/619491045.db2.gz QHCGPIDXBJCROR-OLZOCXBDSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc(Cl)n1 ZINC000879309782 619491106 /nfs/dbraw/zinc/49/11/06/619491106.db2.gz QHCGPIDXBJCROR-CHWSQXEVSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc(Cl)n1 ZINC000879309782 619491112 /nfs/dbraw/zinc/49/11/12/619491112.db2.gz QHCGPIDXBJCROR-CHWSQXEVSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1ccc(C)c(CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000108448026 619510804 /nfs/dbraw/zinc/51/08/04/619510804.db2.gz FNVIXZWCUHHUII-UHFFFAOYSA-N 1 2 268.360 3.335 20 30 CGEDLO Cc1ccccc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000049066027 619679026 /nfs/dbraw/zinc/67/90/26/619679026.db2.gz HOUGGDWERIQMEK-UHFFFAOYSA-N 1 2 272.323 3.280 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc3c1NCCC3)C2 ZINC000895187000 619772830 /nfs/dbraw/zinc/77/28/30/619772830.db2.gz DSIWNRSEQRXLNC-UHFFFAOYSA-N 1 2 289.382 3.432 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1NCCC3)C2 ZINC000895187000 619772834 /nfs/dbraw/zinc/77/28/34/619772834.db2.gz DSIWNRSEQRXLNC-UHFFFAOYSA-N 1 2 289.382 3.432 20 30 CGEDLO N#CC1(C[NH2+]CC#Cc2ccccc2)CCCCC1 ZINC000895402748 619821212 /nfs/dbraw/zinc/82/12/12/619821212.db2.gz HNNVTRRVBNKYMV-UHFFFAOYSA-N 1 2 252.361 3.102 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCCC2CCOCC2)c(O)c1 ZINC000840708227 620093412 /nfs/dbraw/zinc/09/34/12/620093412.db2.gz VLUFUZQQOVPLAI-AQTBWJFISA-N 1 2 291.391 3.417 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2(COC)CCCC2)c(O)c1 ZINC000840710073 620107510 /nfs/dbraw/zinc/10/75/10/620107510.db2.gz OTLHZUQRUUFOIA-WOJGMQOQSA-N 1 2 291.391 3.417 20 30 CGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000073012187 625407129 /nfs/dbraw/zinc/40/71/29/625407129.db2.gz ANYSOFPFJADTCJ-CQSZACIVSA-N 1 2 287.388 3.114 20 30 CGEDLO Cc1cccn2c(C[N@H+](C)Cc3cc(C#N)cs3)cnc12 ZINC000897625186 620412951 /nfs/dbraw/zinc/41/29/51/620412951.db2.gz GVVHOLGODNORIR-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO Cc1cccn2c(C[N@@H+](C)Cc3cc(C#N)cs3)cnc12 ZINC000897625186 620412952 /nfs/dbraw/zinc/41/29/52/620412952.db2.gz GVVHOLGODNORIR-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cnn(C)c1 ZINC000927068155 620570083 /nfs/dbraw/zinc/57/00/83/620570083.db2.gz UBHWNFVKKMPOQI-BLLLJJGKSA-N 1 2 298.390 3.045 20 30 CGEDLO CCCCCCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899499 620607474 /nfs/dbraw/zinc/60/74/74/620607474.db2.gz LJAOKFXDLZTFEZ-UHFFFAOYSA-N 1 2 279.428 3.485 20 30 CGEDLO Cn1c[nH+]cc1/C=C1/CCCc2ccccc2C1=O ZINC000901416566 620880810 /nfs/dbraw/zinc/88/08/10/620880810.db2.gz UQOQTMNKJKXELG-LCYFTJDESA-N 1 2 252.317 3.023 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2ccc(F)cc2N(C)C)[nH+]c1C ZINC000901483156 620895039 /nfs/dbraw/zinc/89/50/39/620895039.db2.gz OGVAVQCQBZVHMN-BQYQJAHWSA-N 1 2 287.338 3.128 20 30 CGEDLO CC(C)c1cccc(C(=O)/C=C/c2c[nH+]cn2C)c1 ZINC000901544486 620933073 /nfs/dbraw/zinc/93/30/73/620933073.db2.gz WQUJMPBVSCGWSC-BQYQJAHWSA-N 1 2 254.333 3.440 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902789237 621446764 /nfs/dbraw/zinc/44/67/64/621446764.db2.gz IFYQAHPFGVAXNG-WDEREUQCSA-N 1 2 272.377 3.130 20 30 CGEDLO CCCn1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000902884717 621483897 /nfs/dbraw/zinc/48/38/97/621483897.db2.gz LEKHPISGPBSAKV-ZBFHGGJFSA-N 1 2 297.406 3.384 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nc2ccc(Cl)cc2n1C ZINC000903105203 621578635 /nfs/dbraw/zinc/57/86/35/621578635.db2.gz AEZKUPPECPSVFY-SNVBAGLBSA-N 1 2 288.782 3.181 20 30 CGEDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903109760 621584153 /nfs/dbraw/zinc/58/41/53/621584153.db2.gz UQGWTOKYOWUTFC-JTQLQIEISA-N 1 2 291.376 3.271 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993328133 624026257 /nfs/dbraw/zinc/02/62/57/624026257.db2.gz MMWWAMGSLUNOQX-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993328133 624026263 /nfs/dbraw/zinc/02/62/63/624026263.db2.gz MMWWAMGSLUNOQX-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO COc1ccc(CCC/[NH+]=C/c2ccccc2O)cc1 ZINC000918155547 624338576 /nfs/dbraw/zinc/33/85/76/624338576.db2.gz UQLVAORALHZWQJ-QGOAFFKASA-N 1 2 269.344 3.453 20 30 CGEDLO C[C@@H](C#N)Oc1ccccc1NCc1cccc2[nH+]ccn21 ZINC000181128496 624811231 /nfs/dbraw/zinc/81/12/31/624811231.db2.gz UBSLLKLZNDHFNT-ZDUSSCGKSA-N 1 2 292.342 3.237 20 30 CGEDLO C=CCC[C@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835268499 634421748 /nfs/dbraw/zinc/42/17/48/634421748.db2.gz RWPZRRYUFNCRCZ-AWEZNQCLSA-N 1 2 284.359 3.443 20 30 CGEDLO CC1(CC/[NH+]=C/c2c(O)ccc3ccccc32)OCCO1 ZINC000183619911 625097315 /nfs/dbraw/zinc/09/73/15/625097315.db2.gz QYFVDGPYKLNDJM-LDADJPATSA-N 1 2 285.343 3.117 20 30 CGEDLO Cc1cccc(C)c1OCCO[NH+]=C(N)Cc1ccccc1 ZINC000071939162 625209262 /nfs/dbraw/zinc/20/92/62/625209262.db2.gz OBUSWVPAJGFHJO-UHFFFAOYSA-N 1 2 298.386 3.214 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921656222 625809848 /nfs/dbraw/zinc/80/98/48/625809848.db2.gz RGFBOVBJWGJUOK-LBPRGKRZSA-N 1 2 282.347 3.182 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000922154991 625974069 /nfs/dbraw/zinc/97/40/69/625974069.db2.gz RXWLNJRUMOHICY-UHFFFAOYSA-N 1 2 268.360 3.243 20 30 CGEDLO Cc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)ccc1C#N ZINC000922521736 626010599 /nfs/dbraw/zinc/01/05/99/626010599.db2.gz XWSVRXVMUYFBRA-WMZOPIPTSA-N 1 2 296.345 3.428 20 30 CGEDLO Cc1cc(C#N)cc(C)c1COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000922842361 626056294 /nfs/dbraw/zinc/05/62/94/626056294.db2.gz IFBYXCBPRSCHEQ-AWEZNQCLSA-N 1 2 297.358 3.066 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000227367019 626079315 /nfs/dbraw/zinc/07/93/15/626079315.db2.gz KLLZHUFSPNDQBY-UHFFFAOYSA-N 1 2 291.148 3.204 20 30 CGEDLO C[C@@H](CC1CCCCC1)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000757755814 626806411 /nfs/dbraw/zinc/80/64/11/626806411.db2.gz ZCHJTIKANNCFRL-YJBOKZPZSA-N 1 2 289.467 3.265 20 30 CGEDLO C[C@@H](CC1CCCCC1)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000757755814 626806413 /nfs/dbraw/zinc/80/64/13/626806413.db2.gz ZCHJTIKANNCFRL-YJBOKZPZSA-N 1 2 289.467 3.265 20 30 CGEDLO Cn1cc(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)cn1 ZINC000761880626 627070996 /nfs/dbraw/zinc/07/09/96/627070996.db2.gz IOUSHTQAYUBTJM-TXHVVBQGSA-N 1 2 295.390 3.129 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cccc(Br)c1O ZINC000768765929 627497463 /nfs/dbraw/zinc/49/74/63/627497463.db2.gz WHWVZCHRQMRGFL-UHFFFAOYSA-N 1 2 297.196 3.279 20 30 CGEDLO CCN(CC)c1ccc(C=[NH+]NCC(F)(F)F)cc1F ZINC000769825366 627582392 /nfs/dbraw/zinc/58/23/92/627582392.db2.gz SALCAVMGMWLINW-UHFFFAOYSA-N 1 2 291.292 3.158 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000769962070 627592733 /nfs/dbraw/zinc/59/27/33/627592733.db2.gz AUPHYMNFNCVRCQ-CYBMUJFWSA-N 1 2 283.375 3.314 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000769962070 627592735 /nfs/dbraw/zinc/59/27/35/627592735.db2.gz AUPHYMNFNCVRCQ-CYBMUJFWSA-N 1 2 283.375 3.314 20 30 CGEDLO Cc1ccc2[nH+]cc(CN=Nc3cc(Cl)ccn3)n2c1 ZINC000777906066 628310252 /nfs/dbraw/zinc/31/02/52/628310252.db2.gz RYNPFGAQEZCXSG-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO CC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)[NH+](CC)CC ZINC000778611230 628361006 /nfs/dbraw/zinc/36/10/06/628361006.db2.gz COAOYDMKHLSEAG-JSGCOSHPSA-N 1 2 299.374 3.124 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3cccc(OCC#N)c3)n2c1 ZINC000779588273 628417310 /nfs/dbraw/zinc/41/73/10/628417310.db2.gz JPFBXMWJBKLCCK-UHFFFAOYSA-N 1 2 292.342 3.157 20 30 CGEDLO C#CCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000779775613 628428781 /nfs/dbraw/zinc/42/87/81/628428781.db2.gz GCQDICXNURFGEA-UHFFFAOYSA-N 1 2 281.359 3.395 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(O)cc3)c[nH+]c12 ZINC000125211984 634655447 /nfs/dbraw/zinc/65/54/47/634655447.db2.gz MXGPMCGRBJCWPH-RMKNXTFCSA-N 1 2 278.311 3.244 20 30 CGEDLO C#CCCCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000780371460 628484757 /nfs/dbraw/zinc/48/47/57/628484757.db2.gz UAJGMONPZAFLTK-UHFFFAOYSA-N 1 2 281.359 3.395 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1scnc1C1CC1 ZINC000782232434 628627826 /nfs/dbraw/zinc/62/78/26/628627826.db2.gz XSHXUKOHLFAGMK-UHFFFAOYSA-N 1 2 294.383 3.437 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cncc(F)c1 ZINC000783711150 628741955 /nfs/dbraw/zinc/74/19/55/628741955.db2.gz UAAPPFWVBKQBMF-OWOJBTEDSA-N 1 2 299.330 3.364 20 30 CGEDLO Cc1cc(CNc2[nH+]cccc2OCCCC#N)sn1 ZINC000787796067 629030946 /nfs/dbraw/zinc/03/09/46/629030946.db2.gz OEIRUZGGCNLPBM-UHFFFAOYSA-N 1 2 288.376 3.141 20 30 CGEDLO C#CCC1(C(=O)Nc2cccc3[nH+]ccn32)CCCCC1 ZINC000788448771 629053759 /nfs/dbraw/zinc/05/37/59/629053759.db2.gz ONNZWFBATDUYJB-UHFFFAOYSA-N 1 2 281.359 3.247 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3ccccc3[nH]2)n1 ZINC000789758045 629166262 /nfs/dbraw/zinc/16/62/62/629166262.db2.gz GQNDGHXRSLQOTP-UHFFFAOYSA-N 1 2 292.386 3.020 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3ccccc3[nH]2)n1 ZINC000789758045 629166263 /nfs/dbraw/zinc/16/62/63/629166263.db2.gz GQNDGHXRSLQOTP-UHFFFAOYSA-N 1 2 292.386 3.020 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2c(C)cccc2F)cn1 ZINC000790177140 629189246 /nfs/dbraw/zinc/18/92/46/629189246.db2.gz ZIWNICCMYLNSPY-UHFFFAOYSA-N 1 2 286.354 3.431 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(Cl)c2cccnc12 ZINC000790300052 629201306 /nfs/dbraw/zinc/20/13/06/629201306.db2.gz OKVZYMOANHSOEF-UHFFFAOYSA-N 1 2 285.738 3.068 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792174685 629345204 /nfs/dbraw/zinc/34/52/04/629345204.db2.gz ZHBPEFVHJXWUBO-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO Cc1ccoc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000119035146 629420941 /nfs/dbraw/zinc/42/09/41/629420941.db2.gz NSCPSJJTNAKBIN-AATRIKPKSA-N 1 2 266.300 3.440 20 30 CGEDLO Cc1cccc2c1C/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708742 629569749 /nfs/dbraw/zinc/56/97/49/629569749.db2.gz UHZQKMDGNVANCZ-WQLSENKSSA-N 1 2 298.411 3.336 20 30 CGEDLO O=C1c2ccc(F)cc2OC/C1=C\c1cccc2[nH+]ccn21 ZINC000794728844 629573247 /nfs/dbraw/zinc/57/32/47/629573247.db2.gz WAQDKECMZKEMNA-DHZHZOJOSA-N 1 2 294.285 3.132 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@H]2CCC23CCOCC3)c1O ZINC000864348585 629817240 /nfs/dbraw/zinc/81/72/40/629817240.db2.gz NAOAVJBMMCWIPX-JVVDOCDTSA-N 1 2 289.375 3.027 20 30 CGEDLO C#CCC[C@@H](O)CNc1cc[nH+]c2c(OCCC)cccc12 ZINC000798418936 630055254 /nfs/dbraw/zinc/05/52/54/630055254.db2.gz TYJZZZBKIKYSOW-CQSZACIVSA-N 1 2 298.386 3.210 20 30 CGEDLO C#CCN(c1cc(C)[nH+]c(C2CC2)n1)C1CCCC1 ZINC000799963185 630247096 /nfs/dbraw/zinc/24/70/96/630247096.db2.gz HOHIZABRYNWLSR-UHFFFAOYSA-N 1 2 255.365 3.045 20 30 CGEDLO CCCCCCCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333268 630520904 /nfs/dbraw/zinc/52/09/04/630520904.db2.gz XJDDQDWBKVTTOP-HNNXBMFYSA-N 1 2 291.439 3.455 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCCSC2)c(O)c1 ZINC000806550788 630565715 /nfs/dbraw/zinc/56/57/15/630565715.db2.gz FNVFRBGEUUHSQX-SEJMYLSOSA-N 1 2 279.405 3.353 20 30 CGEDLO CSCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866268980 633054603 /nfs/dbraw/zinc/05/46/03/633054603.db2.gz BWWBSRLUVMURPV-WDEREUQCSA-N 1 2 264.394 3.056 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866272452 633056814 /nfs/dbraw/zinc/05/68/14/633056814.db2.gz OKYAUIWUMDTAJB-WBMJQRKESA-N 1 2 281.359 3.461 20 30 CGEDLO CCOCCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866311394 633077238 /nfs/dbraw/zinc/07/72/38/633077238.db2.gz ZUSFPTOWIRQBOO-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866341042 633088473 /nfs/dbraw/zinc/08/84/73/633088473.db2.gz NTCMYFFZAUMEAY-BDAKNGLRSA-N 1 2 272.270 3.255 20 30 CGEDLO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866373193 633109728 /nfs/dbraw/zinc/10/97/28/633109728.db2.gz MBPSKTMMZDOYTC-PEBVRCNWSA-N 1 2 288.391 3.118 20 30 CGEDLO CCCCOC(=O)[C@@H](C)[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823617191 633127143 /nfs/dbraw/zinc/12/71/43/633127143.db2.gz GRVUGWPQRXFPEI-ZIAGYGMSSA-N 1 2 288.391 3.283 20 30 CGEDLO CCCCOC(=O)[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823617191 633127146 /nfs/dbraw/zinc/12/71/46/633127146.db2.gz GRVUGWPQRXFPEI-ZIAGYGMSSA-N 1 2 288.391 3.283 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000824196908 633210921 /nfs/dbraw/zinc/21/09/21/633210921.db2.gz ZYISRCWGTIOEKI-ZJUUUORDSA-N 1 2 290.215 3.325 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000826861617 633437862 /nfs/dbraw/zinc/43/78/62/633437862.db2.gz HLWAMFDONHGUHY-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO Cc1cc(C)c(CNc2snc(Cl)c2C#N)c[nH+]1 ZINC000829463423 633737200 /nfs/dbraw/zinc/73/72/00/633737200.db2.gz LIHONFNBFGZCEB-UHFFFAOYSA-N 1 2 278.768 3.292 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000876790957 634898981 /nfs/dbraw/zinc/89/89/81/634898981.db2.gz AGQSFFZONZNPJQ-LBPRGKRZSA-N 1 2 276.355 3.348 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000876790957 634898983 /nfs/dbraw/zinc/89/89/83/634898983.db2.gz AGQSFFZONZNPJQ-LBPRGKRZSA-N 1 2 276.355 3.348 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2(OC)CCC2)c1 ZINC000840707073 635037653 /nfs/dbraw/zinc/03/76/53/635037653.db2.gz RUWXNDDKKVLYNN-SFQUDFHCSA-N 1 2 277.364 3.169 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC(C)(C)C(C)(C)O)c(O)c1 ZINC000840708913 635038038 /nfs/dbraw/zinc/03/80/38/635038038.db2.gz FYCKFAMAZWJDRK-YVLHZVERSA-N 1 2 279.380 3.007 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc(F)cc1 ZINC000877544023 635082109 /nfs/dbraw/zinc/08/21/09/635082109.db2.gz KNEDVRIODDOSNB-GOSISDBHSA-N 1 2 297.377 3.286 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000841760271 635233368 /nfs/dbraw/zinc/23/33/68/635233368.db2.gz DNMXIKGCZMGOEN-DLBZAZTESA-N 1 2 292.386 3.326 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000842629818 635421156 /nfs/dbraw/zinc/42/11/56/635421156.db2.gz RYJFBHJMVPCZMK-NSHDSACASA-N 1 2 293.461 3.244 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000842629818 635421162 /nfs/dbraw/zinc/42/11/62/635421162.db2.gz RYJFBHJMVPCZMK-NSHDSACASA-N 1 2 293.461 3.244 20 30 CGEDLO C#CC1CC[NH+](Cc2ccnc(Cl)c2Cl)CC1 ZINC000843426580 635671696 /nfs/dbraw/zinc/67/16/96/635671696.db2.gz APYDHYMRVKOQOZ-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879630001 635822008 /nfs/dbraw/zinc/82/20/08/635822008.db2.gz DQGGIVUXBPNRKP-INIZCTEOSA-N 1 2 261.365 3.035 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879630001 635822010 /nfs/dbraw/zinc/82/20/10/635822010.db2.gz DQGGIVUXBPNRKP-INIZCTEOSA-N 1 2 261.365 3.035 20 30 CGEDLO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844477656 635913662 /nfs/dbraw/zinc/91/36/62/635913662.db2.gz PPBFVYKEKFASBO-SFHVURJKSA-N 1 2 296.345 3.055 20 30 CGEDLO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844477656 635913664 /nfs/dbraw/zinc/91/36/64/635913664.db2.gz PPBFVYKEKFASBO-SFHVURJKSA-N 1 2 296.345 3.055 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)CC12CCCC2 ZINC000844686393 635954613 /nfs/dbraw/zinc/95/46/13/635954613.db2.gz OEFNUENMFFURBF-UHFFFAOYSA-N 1 2 284.403 3.177 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)CC12CCCC2 ZINC000844686393 635954614 /nfs/dbraw/zinc/95/46/14/635954614.db2.gz OEFNUENMFFURBF-UHFFFAOYSA-N 1 2 284.403 3.177 20 30 CGEDLO COCc1cc[nH+]c(N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000846213572 636160079 /nfs/dbraw/zinc/16/00/79/636160079.db2.gz UBPAGYJWCCGAGD-LLVKDONJSA-N 1 2 285.322 3.412 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000846995825 636303919 /nfs/dbraw/zinc/30/39/19/636303919.db2.gz UNIDGXAMFGGFFC-CYBMUJFWSA-N 1 2 277.755 3.024 20 30 CGEDLO CC[C@@H]1CCC[C@@H](CN=NCCCn2cc[nH+]c2)C1 ZINC000848416956 636571180 /nfs/dbraw/zinc/57/11/80/636571180.db2.gz FQBOJOGOSVVYLG-HUUCEWRRSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(C)c(F)c(C)c1 ZINC000848417709 636572627 /nfs/dbraw/zinc/57/26/27/636572627.db2.gz DQRCUMACLXSDEN-UHFFFAOYSA-N 1 2 288.370 3.043 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000848418773 636573296 /nfs/dbraw/zinc/57/32/96/636573296.db2.gz TUDHWZSTUCQYQQ-AWEZNQCLSA-N 1 2 270.380 3.042 20 30 CGEDLO CC1(C)CCC[C@@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848418343 636573305 /nfs/dbraw/zinc/57/33/05/636573305.db2.gz MGXJLAOEPNIPQI-CQSZACIVSA-N 1 2 262.401 3.065 20 30 CGEDLO Cc1ccccc1CC(N)=[NH+]OCc1cccc(Cl)n1 ZINC000132067377 636778505 /nfs/dbraw/zinc/77/85/05/636778505.db2.gz LGBPWVWLDMFUKK-UHFFFAOYSA-N 1 2 289.766 3.075 20 30 CGEDLO CN(C)c1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000133175879 636880441 /nfs/dbraw/zinc/88/04/41/636880441.db2.gz ZBHLIZAJTSNYRS-ZHACJKMWSA-N 1 2 291.354 3.296 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134233127 637008485 /nfs/dbraw/zinc/00/84/85/637008485.db2.gz FXWKBKACZCIFBM-BXUZGUMPSA-N 1 2 296.208 3.219 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134233127 637008490 /nfs/dbraw/zinc/00/84/90/637008490.db2.gz FXWKBKACZCIFBM-BXUZGUMPSA-N 1 2 296.208 3.219 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCS1 ZINC000853441108 637844804 /nfs/dbraw/zinc/84/48/04/637844804.db2.gz RODMSFPESSHXPH-ZDUSSCGKSA-N 1 2 276.405 3.181 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC(C)(C)O1 ZINC000853485703 637853186 /nfs/dbraw/zinc/85/31/86/637853186.db2.gz NYXJWKGQOUOZRA-CQSZACIVSA-N 1 2 288.391 3.243 20 30 CGEDLO C=CC[N@@H+](Cn1ncc(Cl)c1C1CC1)C1CC1 ZINC000853506327 637859026 /nfs/dbraw/zinc/85/90/26/637859026.db2.gz ZAAQJHGJSXDUSS-UHFFFAOYSA-N 1 2 251.761 3.022 20 30 CGEDLO C=CC[N@H+](Cn1ncc(Cl)c1C1CC1)C1CC1 ZINC000853506327 637859046 /nfs/dbraw/zinc/85/90/46/637859046.db2.gz ZAAQJHGJSXDUSS-UHFFFAOYSA-N 1 2 251.761 3.022 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC(O)(CC)CC ZINC000853524312 637861820 /nfs/dbraw/zinc/86/18/20/637861820.db2.gz LVTCWGAIKDBJRL-UHFFFAOYSA-N 1 2 290.407 3.227 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(CC)OC ZINC000853662512 637886050 /nfs/dbraw/zinc/88/60/50/637886050.db2.gz IEAGGLHVOZMKOJ-MRXNPFEDSA-N 1 2 276.380 3.101 20 30 CGEDLO CC[C@@H]([NH2+]CCc1nccs1)c1cccc(C#N)c1O ZINC000924877171 638417841 /nfs/dbraw/zinc/41/78/41/638417841.db2.gz QBIVNPLQGUUQJL-CYBMUJFWSA-N 1 2 287.388 3.004 20 30 CGEDLO CCc1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)on1 ZINC000925127767 638458000 /nfs/dbraw/zinc/45/80/00/638458000.db2.gz HVJUVIDWTSMTGY-OAHLLOKOSA-N 1 2 285.347 3.055 20 30 CGEDLO CC[C@H]([NH2+]CCc1cscn1)c1cccc(C#N)c1O ZINC000925286705 638491682 /nfs/dbraw/zinc/49/16/82/638491682.db2.gz SIUXIQNWVGQHFX-AWEZNQCLSA-N 1 2 287.388 3.004 20 30 CGEDLO CCCCCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944008 638606873 /nfs/dbraw/zinc/60/68/73/638606873.db2.gz ISGYJOPXXGERIP-OAHLLOKOSA-N 1 2 291.439 3.455 20 30 CGEDLO CC[C@@H]([NH2+]CCSC(C)C)c1cccc(C#N)c1O ZINC000926423441 638769890 /nfs/dbraw/zinc/76/98/90/638769890.db2.gz PVVFRQZJLMYVAK-CQSZACIVSA-N 1 2 278.421 3.446 20 30 CGEDLO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc(C#N)c1O ZINC000926459982 638773624 /nfs/dbraw/zinc/77/36/24/638773624.db2.gz SVGNENIVRHRJBJ-RDJZCZTQSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000926735540 638805428 /nfs/dbraw/zinc/80/54/28/638805428.db2.gz GBSGWKGKVNPHLP-DGCLKSJQSA-N 1 2 280.318 3.350 20 30 CGEDLO CC[N@@H+](Cc1cnc(Br)c(C)c1)C[C@H](C)C#N ZINC000929429779 638924670 /nfs/dbraw/zinc/92/46/70/638924670.db2.gz QSROCPRFCMMCEW-SNVBAGLBSA-N 1 2 296.212 3.134 20 30 CGEDLO CC[N@H+](Cc1cnc(Br)c(C)c1)C[C@H](C)C#N ZINC000929429779 638924673 /nfs/dbraw/zinc/92/46/73/638924673.db2.gz QSROCPRFCMMCEW-SNVBAGLBSA-N 1 2 296.212 3.134 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccccn2)n1)C(C)C ZINC000932391955 639324365 /nfs/dbraw/zinc/32/43/65/639324365.db2.gz UHAJYKDHLMXQCA-UHFFFAOYSA-N 1 2 271.389 3.049 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccccn2)n1)C(C)C ZINC000932391955 639324370 /nfs/dbraw/zinc/32/43/70/639324370.db2.gz UHAJYKDHLMXQCA-UHFFFAOYSA-N 1 2 271.389 3.049 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625456 639471330 /nfs/dbraw/zinc/47/13/30/639471330.db2.gz SZHQZGUHHXRSNR-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625456 639471335 /nfs/dbraw/zinc/47/13/35/639471335.db2.gz SZHQZGUHHXRSNR-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C#CCOc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000157691369 639994319 /nfs/dbraw/zinc/99/43/19/639994319.db2.gz QTGRFBOEHBDCIS-UHFFFAOYSA-N 1 2 280.371 3.377 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCCOC(C)C)c1O ZINC000194859818 640557861 /nfs/dbraw/zinc/55/78/61/640557861.db2.gz CVILVWZZLPMXHH-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO COC(OC)c1cc(C)c[nH+]c1NCc1ccccc1C#N ZINC001156786551 805735732 /nfs/dbraw/zinc/73/57/32/805735732.db2.gz FOMRFNKZEICSGJ-UHFFFAOYSA-N 1 2 297.358 3.165 20 30 CGEDLO CCCN(CCC)c1cc(NCC(C)(C)S)[nH+]cn1 ZINC001159268002 806070844 /nfs/dbraw/zinc/07/08/44/806070844.db2.gz MCJGKKXQQBYIDH-UHFFFAOYSA-N 1 2 282.457 3.223 20 30 CGEDLO CCCN(CCC)c1cc(NCC(C)(C)S)nc[nH+]1 ZINC001159268002 806070853 /nfs/dbraw/zinc/07/08/53/806070853.db2.gz MCJGKKXQQBYIDH-UHFFFAOYSA-N 1 2 282.457 3.223 20 30 CGEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]1C(=O)OC ZINC001252979650 806145896 /nfs/dbraw/zinc/14/58/96/806145896.db2.gz MAHDBGFGWSZUTM-CVEARBPZSA-N 1 2 299.455 3.125 20 30 CGEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]1C(=O)OC ZINC001252979650 806145900 /nfs/dbraw/zinc/14/59/00/806145900.db2.gz MAHDBGFGWSZUTM-CVEARBPZSA-N 1 2 299.455 3.125 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@@H]2CCc3c2cccc3C#N)[nH+]1 ZINC001159914753 806197932 /nfs/dbraw/zinc/19/79/32/806197932.db2.gz SPLWQQLEVHVDBD-OAHLLOKOSA-N 1 2 289.342 3.237 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCc2ccccc2CC1 ZINC001254451437 806405093 /nfs/dbraw/zinc/40/50/93/806405093.db2.gz SKYOKBQXAUWFKY-KRWDZBQOSA-N 1 2 256.393 3.462 20 30 CGEDLO CCCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001162202031 806525548 /nfs/dbraw/zinc/52/55/48/806525548.db2.gz BTBLIKKSZJWCGI-FVECTHPASA-N 1 2 295.452 3.483 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1COc2ccc(Br)cc21 ZINC001255155970 806556830 /nfs/dbraw/zinc/55/68/30/806556830.db2.gz VUXXHNBVLUHDHH-ZYHUDNBSSA-N 1 2 295.180 3.164 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCN(c2c(C)cccc2C)CC1 ZINC001255179884 806572508 /nfs/dbraw/zinc/57/25/08/806572508.db2.gz TUJNMTJIRPGRFI-INIZCTEOSA-N 1 2 271.408 3.118 20 30 CGEDLO Cc1cccc(CCCNc2cc(F)ccc2C#N)[nH+]1 ZINC001163260229 806733346 /nfs/dbraw/zinc/73/33/46/806733346.db2.gz GXXMCJSGPAYTAM-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO Cc1cncc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)c1 ZINC000588476533 799699384 /nfs/dbraw/zinc/69/93/84/799699384.db2.gz QYFRFGYZZDVOJG-PLNGDYQASA-N 1 2 277.327 3.242 20 30 CGEDLO N#Cc1ccccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000588618282 799721759 /nfs/dbraw/zinc/72/17/59/799721759.db2.gz KTRRVIWGKXTLPM-HJWRWDBZSA-N 1 2 273.295 3.102 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC001255919580 806788646 /nfs/dbraw/zinc/78/86/46/806788646.db2.gz NYDNJEZRJXRKHL-KGLIPLIRSA-N 1 2 275.396 3.037 20 30 CGEDLO CCc1ncncc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163683466 806799266 /nfs/dbraw/zinc/79/92/66/806799266.db2.gz CPILYGWKEBINLO-UHFFFAOYSA-N 1 2 294.280 3.095 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712743338 800098001 /nfs/dbraw/zinc/09/80/01/800098001.db2.gz FSUVWAKOGXHHRO-ZDUSSCGKSA-N 1 2 292.345 3.360 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000712743338 800098013 /nfs/dbraw/zinc/09/80/13/800098013.db2.gz FSUVWAKOGXHHRO-ZDUSSCGKSA-N 1 2 292.345 3.360 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597789 800731196 /nfs/dbraw/zinc/73/11/96/800731196.db2.gz WTBYZQBVYZIDLE-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597789 800731198 /nfs/dbraw/zinc/73/11/98/800731198.db2.gz WTBYZQBVYZIDLE-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039446791 801162593 /nfs/dbraw/zinc/16/25/93/801162593.db2.gz RNABSKDUSPOYRC-ZNMIVQPWSA-N 1 2 298.858 3.096 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039446791 801162596 /nfs/dbraw/zinc/16/25/96/801162596.db2.gz RNABSKDUSPOYRC-ZNMIVQPWSA-N 1 2 298.858 3.096 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C(C)C)oc2C)C1 ZINC001044127424 801230521 /nfs/dbraw/zinc/23/05/21/801230521.db2.gz RMERLWWOQQVFGU-UHFFFAOYSA-N 1 2 290.407 3.044 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)c2cccc(C3CCCC3)c2)C1 ZINC001044188999 801230662 /nfs/dbraw/zinc/23/06/62/801230662.db2.gz QPBXFJCNPGWCSU-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C[C@@H]1CCN(c2[nH+]ccc3ccc(C#N)cc32)C[C@H]1F ZINC001164174815 806907331 /nfs/dbraw/zinc/90/73/31/806907331.db2.gz DCDOTUCHNFPPLH-IAQYHMDHSA-N 1 2 269.323 3.291 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001088738125 801807011 /nfs/dbraw/zinc/80/70/11/801807011.db2.gz WZGYKVHPWYEVIE-SYQHCUMBSA-N 1 2 298.858 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001088738125 801807014 /nfs/dbraw/zinc/80/70/14/801807014.db2.gz WZGYKVHPWYEVIE-SYQHCUMBSA-N 1 2 298.858 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC)C2 ZINC001110057565 802129181 /nfs/dbraw/zinc/12/91/81/802129181.db2.gz ACHAHAYFWZGJKY-ILXRZTDVSA-N 1 2 298.858 3.431 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC)C2 ZINC001110057565 802129186 /nfs/dbraw/zinc/12/91/86/802129186.db2.gz ACHAHAYFWZGJKY-ILXRZTDVSA-N 1 2 298.858 3.431 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110441219 802142733 /nfs/dbraw/zinc/14/27/33/802142733.db2.gz IBGGGABQBTYFJI-KFWWJZLASA-N 1 2 296.842 3.207 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110441219 802142738 /nfs/dbraw/zinc/14/27/38/802142738.db2.gz IBGGGABQBTYFJI-KFWWJZLASA-N 1 2 296.842 3.207 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)CC)C2 ZINC001110594065 802143952 /nfs/dbraw/zinc/14/39/52/802143952.db2.gz BXKHUXYAXMPJDZ-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)CC)C2 ZINC001110594065 802143961 /nfs/dbraw/zinc/14/39/61/802143961.db2.gz BXKHUXYAXMPJDZ-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001110720869 802146709 /nfs/dbraw/zinc/14/67/09/802146709.db2.gz SLJWIFHVKBCROH-SYQHCUMBSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001110720869 802146712 /nfs/dbraw/zinc/14/67/12/802146712.db2.gz SLJWIFHVKBCROH-SYQHCUMBSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001112899172 802195306 /nfs/dbraw/zinc/19/53/06/802195306.db2.gz QJCRKYWEEMCJGK-RMKNXTFCSA-N 1 2 298.430 3.200 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001116594051 802384394 /nfs/dbraw/zinc/38/43/94/802384394.db2.gz CZBIPDCOTPIFRN-NSHDSACASA-N 1 2 265.788 3.188 20 30 CGEDLO N#CCCc1cccc(-c2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001243902258 803068301 /nfs/dbraw/zinc/06/83/01/803068301.db2.gz PULSTAPTVWXEED-UHFFFAOYSA-N 1 2 293.370 3.041 20 30 CGEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1ccncc1C#N ZINC001244334000 803310423 /nfs/dbraw/zinc/31/04/23/803310423.db2.gz HRCSIBQRXVMXQK-UHFFFAOYSA-N 1 2 278.359 3.314 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131951876 803361943 /nfs/dbraw/zinc/36/19/43/803361943.db2.gz SVQUBADDSPGCDB-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131951876 803361949 /nfs/dbraw/zinc/36/19/49/803361949.db2.gz SVQUBADDSPGCDB-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132252434 803387415 /nfs/dbraw/zinc/38/74/15/803387415.db2.gz FIIKOGVTUMNREX-QWHCGFSZSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132252434 803387421 /nfs/dbraw/zinc/38/74/21/803387421.db2.gz FIIKOGVTUMNREX-QWHCGFSZSA-N 1 2 286.847 3.144 20 30 CGEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1N ZINC001244894569 803566393 /nfs/dbraw/zinc/56/63/93/803566393.db2.gz CXWGCFXMFQUHPJ-RGVLZGJSSA-N 1 2 294.358 3.037 20 30 CGEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001137596773 803742595 /nfs/dbraw/zinc/74/25/95/803742595.db2.gz BAIOFZCCNKPDLK-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001137596773 803742598 /nfs/dbraw/zinc/74/25/98/803742598.db2.gz BAIOFZCCNKPDLK-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3ccsc3C2)c(C#N)c1 ZINC001137703024 803761412 /nfs/dbraw/zinc/76/14/12/803761412.db2.gz ANTWWOHVUAUTKV-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3ccsc3C2)c(C#N)c1 ZINC001137703024 803761415 /nfs/dbraw/zinc/76/14/15/803761415.db2.gz ANTWWOHVUAUTKV-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO CCOc1ccc(C)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001139607135 804224417 /nfs/dbraw/zinc/22/44/17/804224417.db2.gz HGTONFKXFGRSNX-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(C)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001139607135 804224424 /nfs/dbraw/zinc/22/44/24/804224424.db2.gz HGTONFKXFGRSNX-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(-c2cccnc2)cc1 ZINC001139639778 804240030 /nfs/dbraw/zinc/24/00/30/804240030.db2.gz JOUYUWBEKYLCRF-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(-c2cccnc2)cc1 ZINC001139639778 804240035 /nfs/dbraw/zinc/24/00/35/804240035.db2.gz JOUYUWBEKYLCRF-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1c(C)nc2cc(C)ccn21 ZINC001139681568 804249259 /nfs/dbraw/zinc/24/92/59/804249259.db2.gz ZSMGBQFYSYXEPA-UHFFFAOYSA-N 1 2 284.407 3.467 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1c(C)nc2cc(C)ccn21 ZINC001139681568 804249270 /nfs/dbraw/zinc/24/92/70/804249270.db2.gz ZSMGBQFYSYXEPA-UHFFFAOYSA-N 1 2 284.407 3.467 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(OC)s1)[C@@H]1CCc2ccccc21 ZINC001139819172 804289788 /nfs/dbraw/zinc/28/97/88/804289788.db2.gz YPBGLGFXGIJWNR-MRXNPFEDSA-N 1 2 298.411 3.274 20 30 CGEDLO C#CC[N@H+](Cc1cnc(OC)s1)[C@@H]1CCc2ccccc21 ZINC001139819172 804289789 /nfs/dbraw/zinc/28/97/89/804289789.db2.gz YPBGLGFXGIJWNR-MRXNPFEDSA-N 1 2 298.411 3.274 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140568568 804463658 /nfs/dbraw/zinc/46/36/58/804463658.db2.gz LAJVOTLYZMFCDK-UHFFFAOYSA-N 1 2 285.696 3.427 20 30 CGEDLO C=CC[C@@H](C)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144017281 804924244 /nfs/dbraw/zinc/92/42/44/804924244.db2.gz IYJWEGCPZBCHKO-CQSZACIVSA-N 1 2 283.375 3.043 20 30 CGEDLO C=CCC(C)(C)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144069123 804932820 /nfs/dbraw/zinc/93/28/20/804932820.db2.gz HRSRCHMDKDCZKQ-UHFFFAOYSA-N 1 2 297.402 3.433 20 30 CGEDLO Cc1cccc(Br)c1C[NH+]1CC(CC#N)C1 ZINC001248598898 804960114 /nfs/dbraw/zinc/96/01/14/804960114.db2.gz HDGVBXSEZAEXMA-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO C=C[C@H](C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccccc1 ZINC001152012187 805331078 /nfs/dbraw/zinc/33/10/78/805331078.db2.gz CENNGBZZGAANBB-HNNXBMFYSA-N 1 2 295.386 3.364 20 30 CGEDLO N#CCOc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001212596461 815081291 /nfs/dbraw/zinc/08/12/91/815081291.db2.gz UPMAIBFQYGTQGL-UHFFFAOYSA-N 1 2 294.358 3.328 20 30 CGEDLO Cc1cn2c(cccc2Nc2ccc(OCC#N)cc2)[nH+]1 ZINC001212604688 815083216 /nfs/dbraw/zinc/08/32/16/815083216.db2.gz QDMIVBBITVFTMX-UHFFFAOYSA-N 1 2 278.315 3.289 20 30 CGEDLO C[C@H]1CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)[C@H]1C ZINC001166612619 807067295 /nfs/dbraw/zinc/06/72/95/807067295.db2.gz PHTLSUQQEYMQKI-QWRGUYRKSA-N 1 2 254.337 3.059 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCC ZINC001257307837 807098934 /nfs/dbraw/zinc/09/89/34/807098934.db2.gz VTIWOMRAWPZBTN-ZBFHGGJFSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCCCCC)C(=O)OCC ZINC001257361417 807124889 /nfs/dbraw/zinc/12/48/89/807124889.db2.gz KWXACJXIFFVJQD-SQWLQELKSA-N 1 2 267.413 3.443 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NC1(C2CCOCC2)CC1 ZINC001167743945 807239365 /nfs/dbraw/zinc/23/93/65/807239365.db2.gz JRPNGKKNABECGX-UHFFFAOYSA-N 1 2 272.392 3.490 20 30 CGEDLO N#Cc1cccc(O)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212697930 815106741 /nfs/dbraw/zinc/10/67/41/815106741.db2.gz BXEGURMHMBRMIB-UHFFFAOYSA-N 1 2 290.326 3.252 20 30 CGEDLO C=C(C)C(=O)OCCNc1cc([NH+](CC)CC)ccc1C ZINC001168076037 807306788 /nfs/dbraw/zinc/30/67/88/807306788.db2.gz BRPSZLUTXCOFLZ-UHFFFAOYSA-N 1 2 290.407 3.372 20 30 CGEDLO CCCCC(CCCC)[NH2+]C1(C#N)CCOCC1 ZINC001258383368 807434218 /nfs/dbraw/zinc/43/42/18/807434218.db2.gz OFLFXQQYSFEZJM-UHFFFAOYSA-N 1 2 252.402 3.398 20 30 CGEDLO C#C[C@](C)(CC)Nc1cc[nH+]c2c(OC)cccc12 ZINC001169701306 807692507 /nfs/dbraw/zinc/69/25/07/807692507.db2.gz GOSQJRHAGYLSBZ-MRXNPFEDSA-N 1 2 254.333 3.457 20 30 CGEDLO N#Cc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1F ZINC001170088313 807753132 /nfs/dbraw/zinc/75/31/32/807753132.db2.gz YCFJKRSITHERMX-UHFFFAOYSA-N 1 2 266.279 3.186 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC001170180047 807787222 /nfs/dbraw/zinc/78/72/22/807787222.db2.gz ZJBXGKOFUHBRJE-CVEARBPZSA-N 1 2 299.455 3.437 20 30 CGEDLO COc1cc[nH+]cc1N[C@@H]1CCc2c1cccc2C#N ZINC001171064650 807978355 /nfs/dbraw/zinc/97/83/55/807978355.db2.gz JXTVHSPEGUBHQJ-CQSZACIVSA-N 1 2 265.316 3.061 20 30 CGEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001172502897 808359484 /nfs/dbraw/zinc/35/94/84/808359484.db2.gz NCIBJDRMMCGGNS-RBSFLKMASA-N 1 2 287.444 3.028 20 30 CGEDLO CCCCCCC[C@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001172508743 808364170 /nfs/dbraw/zinc/36/41/70/808364170.db2.gz NLMVAUVSBNKLAT-JKSUJKDBSA-N 1 2 265.445 3.313 20 30 CGEDLO C=C(C)CCC(=O)NCC[N@@H+](CC)CC=C(Cl)Cl ZINC001267242327 808393633 /nfs/dbraw/zinc/39/36/33/808393633.db2.gz GNGSAQDUCXCXNP-UHFFFAOYSA-N 1 2 293.238 3.100 20 30 CGEDLO C=C(C)CCC(=O)NCC[N@H+](CC)CC=C(Cl)Cl ZINC001267242327 808393637 /nfs/dbraw/zinc/39/36/37/808393637.db2.gz GNGSAQDUCXCXNP-UHFFFAOYSA-N 1 2 293.238 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001267277282 808402068 /nfs/dbraw/zinc/40/20/68/808402068.db2.gz VLPONDFDVCRULL-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001267277282 808402072 /nfs/dbraw/zinc/40/20/72/808402072.db2.gz VLPONDFDVCRULL-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1ccc(F)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032168 815205618 /nfs/dbraw/zinc/20/56/18/815205618.db2.gz WGWLWSGFPKIKCN-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO C#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1F ZINC001213034656 815207814 /nfs/dbraw/zinc/20/78/14/815207814.db2.gz WCPCCKBYKCVTGV-UHFFFAOYSA-N 1 2 251.264 3.427 20 30 CGEDLO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001173624514 808656112 /nfs/dbraw/zinc/65/61/12/808656112.db2.gz ZYTHFVTZSHOYKP-GJZGRUSLSA-N 1 2 292.423 3.314 20 30 CGEDLO Cc1nc(C#N)cnc1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174381270 808985828 /nfs/dbraw/zinc/98/58/28/808985828.db2.gz DKDSQETUYZDRKA-UHFFFAOYSA-N 1 2 292.346 3.331 20 30 CGEDLO N#Cc1cccnc1N=C1CCC[N@H+](Cc2ccccc2)C1 ZINC001174393087 808992836 /nfs/dbraw/zinc/99/28/36/808992836.db2.gz QQMSNVGYGMHKNV-UHFFFAOYSA-N 1 2 290.370 3.155 20 30 CGEDLO N#Cc1cccnc1N=C1CCC[N@@H+](Cc2ccccc2)C1 ZINC001174393087 808992838 /nfs/dbraw/zinc/99/28/38/808992838.db2.gz QQMSNVGYGMHKNV-UHFFFAOYSA-N 1 2 290.370 3.155 20 30 CGEDLO N#Cc1cccnc1NC1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174393087 808992840 /nfs/dbraw/zinc/99/28/40/808992840.db2.gz QQMSNVGYGMHKNV-UHFFFAOYSA-N 1 2 290.370 3.155 20 30 CGEDLO N#Cc1cccnc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174393087 808992843 /nfs/dbraw/zinc/99/28/43/808992843.db2.gz QQMSNVGYGMHKNV-UHFFFAOYSA-N 1 2 290.370 3.155 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001276601162 809018667 /nfs/dbraw/zinc/01/86/67/809018667.db2.gz MCMMKJQLXHRBOM-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001276601162 809018678 /nfs/dbraw/zinc/01/86/78/809018678.db2.gz MCMMKJQLXHRBOM-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)Nc1ccc2[nH+]cc(Br)n2c1 ZINC001174788885 809163972 /nfs/dbraw/zinc/16/39/72/809163972.db2.gz YHDCVSWIUHPXOA-UHFFFAOYSA-N 1 2 252.115 3.042 20 30 CGEDLO C[NH+](C)c1ccc(-n2ccc3c2cc(C#N)cc3N)cc1 ZINC001174880279 809187521 /nfs/dbraw/zinc/18/75/21/809187521.db2.gz HFDDVRDATMOGRP-UHFFFAOYSA-N 1 2 276.343 3.150 20 30 CGEDLO C#Cc1cc(Nc2cccc(O[C@H]3CCCCO3)c2)cc[nH+]1 ZINC001175183363 809302002 /nfs/dbraw/zinc/30/20/02/809302002.db2.gz PGLQSHILLXCEOB-SFHVURJKSA-N 1 2 294.354 3.134 20 30 CGEDLO C=CC(C)(C)CC(=O)NCC1=CC[N@H+](CC(=C)Cl)CC1 ZINC001284917659 809319861 /nfs/dbraw/zinc/31/98/61/809319861.db2.gz OOUSAIKVRZIEDN-UHFFFAOYSA-N 1 2 296.842 3.090 20 30 CGEDLO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CC(=C)Cl)CC1 ZINC001284917659 809319869 /nfs/dbraw/zinc/31/98/69/809319869.db2.gz OOUSAIKVRZIEDN-UHFFFAOYSA-N 1 2 296.842 3.090 20 30 CGEDLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1C#N ZINC001175343503 809368549 /nfs/dbraw/zinc/36/85/49/809368549.db2.gz LRLOXANUNDZTTG-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1O ZINC001175349663 809373207 /nfs/dbraw/zinc/37/32/07/809373207.db2.gz CDFMERWJVWQUTA-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO C#Cc1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175714832 809517493 /nfs/dbraw/zinc/51/74/93/809517493.db2.gz WDEZCWVWHFXBSD-UHFFFAOYSA-N 1 2 277.249 3.408 20 30 CGEDLO COC(=O)c1cc(C#N)cc(Nc2c[nH+]c(C)cc2C)c1 ZINC001213518533 815296590 /nfs/dbraw/zinc/29/65/90/815296590.db2.gz SXQMLGCXUWXNBT-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO C#Cc1cc(Nc2ccc(-c3ccccc3)nc2)cc[nH+]1 ZINC001175833549 809552515 /nfs/dbraw/zinc/55/25/15/809552515.db2.gz RWWOLHVMLIGXKS-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO CCOC(=O)c1c(C)oc(Nc2c[nH+]cc(C)c2C)c1C#N ZINC001213527224 815299284 /nfs/dbraw/zinc/29/92/84/815299284.db2.gz CWGITJGIJNPNQQ-UHFFFAOYSA-N 1 2 299.330 3.392 20 30 CGEDLO N#Cc1ccsc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743393 809755192 /nfs/dbraw/zinc/75/51/92/809755192.db2.gz JQNZKWQMPLAXIS-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]CCC(C)(C)C)C(=O)OCC ZINC001183311264 810144234 /nfs/dbraw/zinc/14/42/34/810144234.db2.gz ACHZOICSVGCVAH-LLVKDONJSA-N 1 2 261.793 3.087 20 30 CGEDLO C=CCSCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001186079374 810311780 /nfs/dbraw/zinc/31/17/80/810311780.db2.gz JLAHODZXQMCXJB-UHFFFAOYSA-N 1 2 284.388 3.214 20 30 CGEDLO CCC[N@H+](CC#CCOC)Cc1c(F)cccc1Cl ZINC001190627741 810639832 /nfs/dbraw/zinc/63/98/32/810639832.db2.gz MFMPGWYGYVWFJL-UHFFFAOYSA-N 1 2 283.774 3.341 20 30 CGEDLO CCC[N@@H+](CC#CCOC)Cc1c(F)cccc1Cl ZINC001190627741 810639840 /nfs/dbraw/zinc/63/98/40/810639840.db2.gz MFMPGWYGYVWFJL-UHFFFAOYSA-N 1 2 283.774 3.341 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001197519411 811426394 /nfs/dbraw/zinc/42/63/94/811426394.db2.gz LFKXKVXOPJHZPZ-ZDUSSCGKSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001197519411 811426400 /nfs/dbraw/zinc/42/64/00/811426400.db2.gz LFKXKVXOPJHZPZ-ZDUSSCGKSA-N 1 2 286.847 3.100 20 30 CGEDLO CC#CC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC001197929468 811465378 /nfs/dbraw/zinc/46/53/78/811465378.db2.gz IDTXZVJYYYVSEN-UHFFFAOYSA-N 1 2 256.374 3.284 20 30 CGEDLO CC#CC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC001197929468 811465382 /nfs/dbraw/zinc/46/53/82/811465382.db2.gz IDTXZVJYYYVSEN-UHFFFAOYSA-N 1 2 256.374 3.284 20 30 CGEDLO N#Cc1cccc2c(Nc3ccc(N)[nH+]c3)cccc12 ZINC001201286127 811807581 /nfs/dbraw/zinc/80/75/81/811807581.db2.gz WTLZRFVAGZFYKR-UHFFFAOYSA-N 1 2 260.300 3.432 20 30 CGEDLO CCCCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201762356 811962967 /nfs/dbraw/zinc/96/29/67/811962967.db2.gz HIUFQLVIQQLYLR-ZDUSSCGKSA-N 1 2 253.411 3.231 20 30 CGEDLO CCCCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201762356 811962968 /nfs/dbraw/zinc/96/29/68/811962968.db2.gz HIUFQLVIQQLYLR-ZDUSSCGKSA-N 1 2 253.411 3.231 20 30 CGEDLO CCCCCCCC[N@@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201840214 811970235 /nfs/dbraw/zinc/97/02/35/811970235.db2.gz PFGPRKZLMPMEFD-UHFFFAOYSA-N 1 2 289.423 3.091 20 30 CGEDLO CCCCCCCC[N@H+]1CCN(c2ccccn2)C(=O)C1 ZINC001201840214 811970242 /nfs/dbraw/zinc/97/02/42/811970242.db2.gz PFGPRKZLMPMEFD-UHFFFAOYSA-N 1 2 289.423 3.091 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1cc(C)c[nH+]c1C ZINC001203663472 812421257 /nfs/dbraw/zinc/42/12/57/812421257.db2.gz LFYJCVDTDUAFQN-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cc(Cl)c1 ZINC001203812009 812468337 /nfs/dbraw/zinc/46/83/37/812468337.db2.gz JLPCHDYHQVXLNZ-UHFFFAOYSA-N 1 2 252.144 3.062 20 30 CGEDLO COc1cc(Nc2ccc(C#N)c(F)c2)cc(C)[nH+]1 ZINC001204054635 812535443 /nfs/dbraw/zinc/53/54/43/812535443.db2.gz WJSGVNDBTKZMAD-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO CCCOc1ccc(C)c([NH+]=C(NO)c2ccccc2N)c1 ZINC001215588523 815543497 /nfs/dbraw/zinc/54/34/97/815543497.db2.gz CLCLENRSPRYBOD-UHFFFAOYSA-N 1 2 299.374 3.423 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC001204498860 812657054 /nfs/dbraw/zinc/65/70/54/812657054.db2.gz UCRFFQBYMKMCQM-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC001204498860 812657057 /nfs/dbraw/zinc/65/70/57/812657057.db2.gz UCRFFQBYMKMCQM-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C#CC[N@@H+](Cc1ccn(CC)n1)[C@@H]1CCc2ccccc21 ZINC001204929715 812780740 /nfs/dbraw/zinc/78/07/40/812780740.db2.gz AHGNBAHLGJEODQ-GOSISDBHSA-N 1 2 279.387 3.026 20 30 CGEDLO C#CC[N@H+](Cc1ccn(CC)n1)[C@@H]1CCc2ccccc21 ZINC001204929715 812780745 /nfs/dbraw/zinc/78/07/45/812780745.db2.gz AHGNBAHLGJEODQ-GOSISDBHSA-N 1 2 279.387 3.026 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1ccc(F)c(F)c1O ZINC001204984855 812810318 /nfs/dbraw/zinc/81/03/18/812810318.db2.gz SFJCCAQTRMTRLM-UHFFFAOYSA-N 1 2 293.313 3.494 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)c(F)c1O ZINC001204984855 812810329 /nfs/dbraw/zinc/81/03/29/812810329.db2.gz SFJCCAQTRMTRLM-UHFFFAOYSA-N 1 2 293.313 3.494 20 30 CGEDLO CC(=O)c1cc(-c2ccc([NH+]=CN(C)C)c(C#N)c2)ccn1 ZINC001242611645 823060810 /nfs/dbraw/zinc/06/08/10/823060810.db2.gz XMHXRZHZIXUJSZ-RGVLZGJSSA-N 1 2 292.342 3.044 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3cccc(C(F)F)c3)CC[C@@H]2S1 ZINC001207128564 813493144 /nfs/dbraw/zinc/49/31/44/813493144.db2.gz QBLAINILVZJEMK-ZDUSSCGKSA-N 1 2 295.354 3.398 20 30 CGEDLO O=C1C=C2C[N@@H+](Cc3cccc(C(F)F)c3)CC[C@@H]2S1 ZINC001207128564 813493149 /nfs/dbraw/zinc/49/31/49/813493149.db2.gz QBLAINILVZJEMK-ZDUSSCGKSA-N 1 2 295.354 3.398 20 30 CGEDLO COc1cc(C#N)ccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001209328848 814000010 /nfs/dbraw/zinc/00/00/10/814000010.db2.gz OOOKFBKJXDTDHE-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C=CCCCCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209431345 814031906 /nfs/dbraw/zinc/03/19/06/814031906.db2.gz LMSGQXTZYXRGEV-ZDUSSCGKSA-N 1 2 261.356 3.215 20 30 CGEDLO C=CCCCCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209431345 814031913 /nfs/dbraw/zinc/03/19/13/814031913.db2.gz LMSGQXTZYXRGEV-ZDUSSCGKSA-N 1 2 261.356 3.215 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(Cl)s1 ZINC001209472097 814052194 /nfs/dbraw/zinc/05/21/94/814052194.db2.gz FOUSBQWLGVBRGW-OWUUHHOZSA-N 1 2 267.785 3.063 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(Cl)s1 ZINC001209472097 814052200 /nfs/dbraw/zinc/05/22/00/814052200.db2.gz FOUSBQWLGVBRGW-OWUUHHOZSA-N 1 2 267.785 3.063 20 30 CGEDLO Cc1cc(Nc2cncc(C#N)c2)ccc1[NH+](C)C ZINC001210040215 814258812 /nfs/dbraw/zinc/25/88/12/814258812.db2.gz UAEYPJVVHWWXAM-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO Cc1cc(Nc2ccc(O)c(C#N)c2)ccc1[NH+](C)C ZINC001210044355 814261931 /nfs/dbraw/zinc/26/19/31/814261931.db2.gz YFNMZHXHTAQGDR-UHFFFAOYSA-N 1 2 267.332 3.382 20 30 CGEDLO COc1cccc(Nc2cccc3[nH+]c(C)cn32)c1C#N ZINC001210118965 814297480 /nfs/dbraw/zinc/29/74/80/814297480.db2.gz QANYXOOUWHXATJ-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO COc1cccc(Nc2ccc3c(c2)[nH+]cn3C)c1C#N ZINC001210123255 814299167 /nfs/dbraw/zinc/29/91/67/814299167.db2.gz FHFJPFJECIUFSU-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO CC(C)=CCCC1=CC[C@@H](CN2CC[NH2+]C[C@H]2C#N)CC1 ZINC001210123116 814299734 /nfs/dbraw/zinc/29/97/34/814299734.db2.gz YVVWCGYIVWVPBC-QZTJIDSGSA-N 1 2 287.451 3.257 20 30 CGEDLO COc1cc(Nc2cc(F)c(F)c(C#N)c2)cc(C)[nH+]1 ZINC001210780726 814625453 /nfs/dbraw/zinc/62/54/53/814625453.db2.gz OHYWDVJCTCXJBS-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1cc(C)[nH+]c(OC)c1 ZINC001210781038 814628014 /nfs/dbraw/zinc/62/80/14/814628014.db2.gz VRKAWMDEOWRINB-UHFFFAOYSA-N 1 2 268.320 3.056 20 30 CGEDLO C#Cc1cc(Nc2ccccc2OCCC)cc[nH+]1 ZINC001211378635 814887529 /nfs/dbraw/zinc/88/75/29/814887529.db2.gz YXWBNDAFSMSNSY-UHFFFAOYSA-N 1 2 252.317 3.017 20 30 CGEDLO Cc1c[nH+]c(Nc2cccc(Cl)c2C#N)c(N)c1 ZINC001216125184 815707429 /nfs/dbraw/zinc/70/74/29/815707429.db2.gz PPPALDYIYNQLCR-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO C#Cc1cc(Nc2cc(C)c(C)cc2OCC)cc[nH+]1 ZINC001216377499 815805022 /nfs/dbraw/zinc/80/50/22/815805022.db2.gz OBUZXDBQFQFKGL-UHFFFAOYSA-N 1 2 266.344 3.244 20 30 CGEDLO COC(=O)[C@H]([NH3+])c1ccc(-c2c(C)cc(C#N)cc2C)cc1 ZINC001222667358 816495036 /nfs/dbraw/zinc/49/50/36/816495036.db2.gz XREXMWCAHYADGJ-QGZVFWFLSA-N 1 2 294.354 3.015 20 30 CGEDLO C=C[C@@H](CC(=O)OC(C)(C)C)OCCCCC(=[NH2+])OCC ZINC001224963018 816918289 /nfs/dbraw/zinc/91/82/89/816918289.db2.gz FIZVLSVAGWMYMR-ZDUSSCGKSA-N 1 2 299.411 3.473 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)c[nH]1 ZINC001231577422 818126303 /nfs/dbraw/zinc/12/63/03/818126303.db2.gz VOZMNLXGOJUXKF-UHFFFAOYSA-N 1 2 284.201 3.293 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)c[nH]1 ZINC001231577422 818126307 /nfs/dbraw/zinc/12/63/07/818126307.db2.gz VOZMNLXGOJUXKF-UHFFFAOYSA-N 1 2 284.201 3.293 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cc(F)cc2Cl)C1 ZINC001232102738 818257505 /nfs/dbraw/zinc/25/75/05/818257505.db2.gz WEJOJTMUBAPXCW-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)cc(F)cc2Cl)C1 ZINC001232102738 818257508 /nfs/dbraw/zinc/25/75/08/818257508.db2.gz WEJOJTMUBAPXCW-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001232606310 818393678 /nfs/dbraw/zinc/39/36/78/818393678.db2.gz NXNGSOYXGRMLKV-LRDDRELGSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001232606310 818393685 /nfs/dbraw/zinc/39/36/85/818393685.db2.gz NXNGSOYXGRMLKV-LRDDRELGSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001232609825 818395008 /nfs/dbraw/zinc/39/50/08/818395008.db2.gz VAVQKZVVLDQNLX-UBHSHLNASA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001232609825 818395013 /nfs/dbraw/zinc/39/50/13/818395013.db2.gz VAVQKZVVLDQNLX-UBHSHLNASA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001232679227 818417172 /nfs/dbraw/zinc/41/71/72/818417172.db2.gz HLGMTOQNRVGQQT-AWEZNQCLSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001232679227 818417180 /nfs/dbraw/zinc/41/71/80/818417180.db2.gz HLGMTOQNRVGQQT-AWEZNQCLSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1cc(C[NH+]2CC3(CCC3)C2)ccc1Br ZINC001232893735 818467487 /nfs/dbraw/zinc/46/74/87/818467487.db2.gz NYAOZJHIASTLQK-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1ccc(C)cc1C#N)C2 ZINC001232968922 818485634 /nfs/dbraw/zinc/48/56/34/818485634.db2.gz RMWXQIKYJFIKCA-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(C)cc1C#N)C2 ZINC001232968922 818485636 /nfs/dbraw/zinc/48/56/36/818485636.db2.gz RMWXQIKYJFIKCA-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO CC[N@H+](Cc1[nH]ccc1C#N)Cc1cccc(F)c1 ZINC001233048090 818510597 /nfs/dbraw/zinc/51/05/97/818510597.db2.gz VGIJDIULMYKKAI-UHFFFAOYSA-N 1 2 257.312 3.048 20 30 CGEDLO CC[N@@H+](Cc1[nH]ccc1C#N)Cc1cccc(F)c1 ZINC001233048090 818510603 /nfs/dbraw/zinc/51/06/03/818510603.db2.gz VGIJDIULMYKKAI-UHFFFAOYSA-N 1 2 257.312 3.048 20 30 CGEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)c(F)c1C#N ZINC001233099842 818521186 /nfs/dbraw/zinc/52/11/86/818521186.db2.gz WLCRXOQYPHRPAT-MRXNPFEDSA-N 1 2 293.361 3.087 20 30 CGEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(F)C2)c(F)c1C#N ZINC001233099842 818521194 /nfs/dbraw/zinc/52/11/94/818521194.db2.gz WLCRXOQYPHRPAT-MRXNPFEDSA-N 1 2 293.361 3.087 20 30 CGEDLO N#Cc1cc(F)c(C[NH+]2CCC(CF)CC2)c(F)c1 ZINC001235658399 819130571 /nfs/dbraw/zinc/13/05/71/819130571.db2.gz LIQNBJRXACXODY-UHFFFAOYSA-N 1 2 268.282 3.018 20 30 CGEDLO Cn1ccc2c1cc[nH+]c2-c1ccc(C#N)cc1F ZINC001236525771 819516831 /nfs/dbraw/zinc/51/68/31/819516831.db2.gz MIBKHNLYLKHDKT-UHFFFAOYSA-N 1 2 251.264 3.251 20 30 CGEDLO COc1ccc(C#N)cc1-c1cc(C)cn2cc[nH+]c12 ZINC001236542734 819529951 /nfs/dbraw/zinc/52/99/51/819529951.db2.gz JBWOAOATGQLTSQ-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(CCC3)C2)cc1Br ZINC001236856532 819623653 /nfs/dbraw/zinc/62/36/53/819623653.db2.gz MUTLKRKDPPBNHI-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc3nccc(Cl)c3c2)C1 ZINC001237260564 819709888 /nfs/dbraw/zinc/70/98/88/819709888.db2.gz AIPQIUDPDMJZHQ-UHFFFAOYSA-N 1 2 271.751 3.234 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001237752506 819838319 /nfs/dbraw/zinc/83/83/19/819838319.db2.gz WHNOWYROLQHINP-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001237752506 819838327 /nfs/dbraw/zinc/83/83/27/819838327.db2.gz WHNOWYROLQHINP-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO C#CC[N@@H+](Cc1occc1OC)[C@@H]1CCc2ccccc21 ZINC001237875640 819867418 /nfs/dbraw/zinc/86/74/18/819867418.db2.gz YEUITLANGRYGLD-MRXNPFEDSA-N 1 2 281.355 3.411 20 30 CGEDLO C#CC[N@H+](Cc1occc1OC)[C@@H]1CCc2ccccc21 ZINC001237875640 819867431 /nfs/dbraw/zinc/86/74/31/819867431.db2.gz YEUITLANGRYGLD-MRXNPFEDSA-N 1 2 281.355 3.411 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1F ZINC001238080670 819926867 /nfs/dbraw/zinc/92/68/67/819926867.db2.gz UFBDKBDJBDUDGY-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1F ZINC001238080670 819926872 /nfs/dbraw/zinc/92/68/72/819926872.db2.gz UFBDKBDJBDUDGY-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001238565229 820046512 /nfs/dbraw/zinc/04/65/12/820046512.db2.gz UTLQVHREMBXPRB-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001238565229 820046522 /nfs/dbraw/zinc/04/65/22/820046522.db2.gz UTLQVHREMBXPRB-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(OCC#N)cc1 ZINC001243592596 823460071 /nfs/dbraw/zinc/46/00/71/823460071.db2.gz WHCSUCWMKGCLSI-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO N#Cc1c[nH]c2ncc(-c3ccc(Cn4cc[nH+]c4)cc3)cc12 ZINC001243658806 823477520 /nfs/dbraw/zinc/47/75/20/823477520.db2.gz HZIWYYJKGCEJQQ-UHFFFAOYSA-N 1 2 299.337 3.346 20 30 CGEDLO CO/N=C/c1cc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001240222090 820898400 /nfs/dbraw/zinc/89/84/00/820898400.db2.gz XDMIQPDOSRAYSY-GIJQJNRQSA-N 1 2 269.279 3.121 20 30 CGEDLO COc1c(C#N)c(F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001240517829 821115683 /nfs/dbraw/zinc/11/56/83/821115683.db2.gz IADZFTDTUZARHR-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1nc2ccccc2cc1C#N ZINC001242070600 822329414 /nfs/dbraw/zinc/32/94/14/822329414.db2.gz FBYZHGKGRGDAJM-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO Cc1cc(C#N)cc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001242477340 823006012 /nfs/dbraw/zinc/00/60/12/823006012.db2.gz UEISFPHGJADPHY-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO Cc1cc(-c2ccc(F)cc2C#N)c2[nH+]ccn2c1 ZINC001242582292 823043796 /nfs/dbraw/zinc/04/37/96/823043796.db2.gz YBOSPYBBEUAXEP-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001347255210 936875571 /nfs/dbraw/zinc/87/55/71/936875571.db2.gz AVQWTQAIJORHBU-HNNXBMFYSA-N 1 2 292.810 3.169 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001481055408 926874085 /nfs/dbraw/zinc/87/40/85/926874085.db2.gz FRAXZAXVLBODLI-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001481055408 926874097 /nfs/dbraw/zinc/87/40/97/926874097.db2.gz FRAXZAXVLBODLI-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1ccc2ccc(OC)cc2[nH+]1 ZINC001355312547 937135728 /nfs/dbraw/zinc/13/57/28/937135728.db2.gz LMGLHDYQFPNRDA-BBRMVZONSA-N 1 2 284.359 3.246 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001365292632 937235097 /nfs/dbraw/zinc/23/50/97/937235097.db2.gz JQEOLXMNVOBPQA-LBPRGKRZSA-N 1 2 281.359 3.064 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001365292632 937235099 /nfs/dbraw/zinc/23/50/99/937235099.db2.gz JQEOLXMNVOBPQA-LBPRGKRZSA-N 1 2 281.359 3.064 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001492888070 937242517 /nfs/dbraw/zinc/24/25/17/937242517.db2.gz RGTHXAWIPLJACN-MRXNPFEDSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001492888070 937242520 /nfs/dbraw/zinc/24/25/20/937242520.db2.gz RGTHXAWIPLJACN-MRXNPFEDSA-N 1 2 298.858 3.314 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001460032113 937511755 /nfs/dbraw/zinc/51/17/55/937511755.db2.gz WKVNTXSUTJBFPM-SNVBAGLBSA-N 1 2 250.411 3.203 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C)c(C(C)(C)C)s1 ZINC001460032113 937511757 /nfs/dbraw/zinc/51/17/57/937511757.db2.gz WKVNTXSUTJBFPM-SNVBAGLBSA-N 1 2 250.411 3.203 20 30 CGEDLO C=CCCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC001460587458 937535981 /nfs/dbraw/zinc/53/59/81/937535981.db2.gz CFFMOHGOVMQUBB-INIZCTEOSA-N 1 2 275.392 3.107 20 30 CGEDLO Cc1cc(CNc2ccc(OCC#N)cc2)cc(C)[nH+]1 ZINC001461211395 937569695 /nfs/dbraw/zinc/56/96/95/937569695.db2.gz GUKCFJPHDNLORT-UHFFFAOYSA-N 1 2 267.332 3.213 20 30 CGEDLO Cn1ccc2c[nH+]c(-c3ccc(C4(C#N)CC4)cc3)nc21 ZINC001243420371 932705502 /nfs/dbraw/zinc/70/55/02/932705502.db2.gz MPVIXCKKKBGTEM-UHFFFAOYSA-N 1 2 274.327 3.190 20 30 CGEDLO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC001308815289 933183177 /nfs/dbraw/zinc/18/31/77/933183177.db2.gz SHUWJOISFHNZEB-ZBFHGGJFSA-N 1 2 289.419 3.494 20 30 CGEDLO N#CCc1ccc(C[NH2+]Cc2ccc(O)c(F)c2F)cc1 ZINC001308834499 933186963 /nfs/dbraw/zinc/18/69/63/933186963.db2.gz FMVYQWHEYOGOTB-UHFFFAOYSA-N 1 2 288.297 3.026 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)c1ccc(C)s1)C1CC1 ZINC001317545166 933614187 /nfs/dbraw/zinc/61/41/87/933614187.db2.gz OFIFYRKFBHISMD-UHFFFAOYSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)c1ccc(C)s1)C1CC1 ZINC001317545166 933614194 /nfs/dbraw/zinc/61/41/94/933614194.db2.gz OFIFYRKFBHISMD-UHFFFAOYSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001317926060 933665226 /nfs/dbraw/zinc/66/52/26/933665226.db2.gz ACCLBBRVSJKRAS-CQSZACIVSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001317926060 933665231 /nfs/dbraw/zinc/66/52/31/933665231.db2.gz ACCLBBRVSJKRAS-CQSZACIVSA-N 1 2 284.831 3.066 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001319324310 933856607 /nfs/dbraw/zinc/85/66/07/933856607.db2.gz JIWLTQLHFUYYFA-GDBMZVCRSA-N 1 2 283.375 3.268 20 30 CGEDLO C=CCn1cnn(C[NH+]2CC(C)(C)CC(C)(C)C2)c1=S ZINC001320280388 934026007 /nfs/dbraw/zinc/02/60/07/934026007.db2.gz SSGKEQUPGUZBKQ-UHFFFAOYSA-N 1 2 294.468 3.316 20 30 CGEDLO C=CCn1cnn(C[NH+]2CCC(CC)(CC)CC2)c1=S ZINC001320443835 934048606 /nfs/dbraw/zinc/04/86/06/934048606.db2.gz RMASHSPLSVMTCD-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC001322107666 934245634 /nfs/dbraw/zinc/24/56/34/934245634.db2.gz ARTZXDFSQYENSX-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC001322107666 934245640 /nfs/dbraw/zinc/24/56/40/934245640.db2.gz ARTZXDFSQYENSX-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533228 937777332 /nfs/dbraw/zinc/77/73/32/937777332.db2.gz WJRXEJSWKKOBON-AWEZNQCLSA-N 1 2 295.386 3.099 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001324633787 934536289 /nfs/dbraw/zinc/53/62/89/934536289.db2.gz KXNPFHODSXWZAH-AWEZNQCLSA-N 1 2 263.385 3.087 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001326382222 934975548 /nfs/dbraw/zinc/97/55/48/934975548.db2.gz PYZPDZVJZHOEMU-SWLSCSKDSA-N 1 2 279.355 3.027 20 30 CGEDLO C[C@@H](N[NH+]=Cc1c(Cl)cccc1N(C)C)C(F)(F)F ZINC001330719525 935316292 /nfs/dbraw/zinc/31/62/92/935316292.db2.gz DGZBDZTYNGTQJV-MRVPVSSYSA-N 1 2 293.720 3.280 20 30 CGEDLO CC[C@@H]([NH2+]CCC1CCOCC1)c1cccc(C#N)c1O ZINC001332390666 935464338 /nfs/dbraw/zinc/46/43/38/935464338.db2.gz OWDIMZNLDDPXHE-MRXNPFEDSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1csc(C#N)c1 ZINC001333780605 936065200 /nfs/dbraw/zinc/06/52/00/936065200.db2.gz PDEIQAXUHXIEBZ-GFCCVEGCSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1csc(C#N)c1 ZINC001333780605 936065204 /nfs/dbraw/zinc/06/52/04/936065204.db2.gz PDEIQAXUHXIEBZ-GFCCVEGCSA-N 1 2 264.394 3.009 20 30 CGEDLO C=C(C)CCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001336303946 936187085 /nfs/dbraw/zinc/18/70/85/936187085.db2.gz QYOXZYOYAOSOCJ-UHFFFAOYSA-N 1 2 293.436 3.424 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC001474653286 937873331 /nfs/dbraw/zinc/87/33/31/937873331.db2.gz RUSGDYLSXIXGGC-UHFFFAOYSA-N 1 2 281.330 3.202 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC001474653286 937873332 /nfs/dbraw/zinc/87/33/32/937873332.db2.gz RUSGDYLSXIXGGC-UHFFFAOYSA-N 1 2 281.330 3.202 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001494762387 937955886 /nfs/dbraw/zinc/95/58/86/937955886.db2.gz JSWZQBUFNIKALU-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001494762387 937955887 /nfs/dbraw/zinc/95/58/87/937955887.db2.gz JSWZQBUFNIKALU-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)=C2CCCC2)C1 ZINC001506617457 937991175 /nfs/dbraw/zinc/99/11/75/937991175.db2.gz ZFRFVODHTBHPSX-ZDUSSCGKSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001506744669 937991757 /nfs/dbraw/zinc/99/17/57/937991757.db2.gz QLXOZHKLTNLNDG-CYBMUJFWSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001506744669 937991758 /nfs/dbraw/zinc/99/17/58/937991758.db2.gz QLXOZHKLTNLNDG-CYBMUJFWSA-N 1 2 298.858 3.168 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3nnccc3C#N)cc2)CC1 ZINC001515325970 938005591 /nfs/dbraw/zinc/00/55/91/938005591.db2.gz ACBCIBQWAYTSFV-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO Cc1cc(NC(=O)CC(C)(C)C#N)ccc1-n1cc[nH+]c1 ZINC001542877162 938137352 /nfs/dbraw/zinc/13/73/52/938137352.db2.gz LZURLFVGISISTC-UHFFFAOYSA-N 1 2 282.347 3.059 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH+]c(CC)[nH]2)CCCCC1 ZINC001558497463 938215980 /nfs/dbraw/zinc/21/59/80/938215980.db2.gz OYADDPNSOIJEME-UHFFFAOYSA-N 1 2 275.396 3.115 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH]c(CC)[nH+]2)CCCCC1 ZINC001558497463 938215981 /nfs/dbraw/zinc/21/59/81/938215981.db2.gz OYADDPNSOIJEME-UHFFFAOYSA-N 1 2 275.396 3.115 20 30 CGEDLO C=C[C@@H](C(=O)NCc1c[nH]c(C(C)C)[nH+]1)c1ccccc1 ZINC001558560989 938216355 /nfs/dbraw/zinc/21/63/55/938216355.db2.gz QJOAPIGJHLPZQU-OAHLLOKOSA-N 1 2 283.375 3.119 20 30 CGEDLO C=C[C@@H](C(=O)NCc1c[nH+]c(C(C)C)[nH]1)c1ccccc1 ZINC001558560989 938216356 /nfs/dbraw/zinc/21/63/56/938216356.db2.gz QJOAPIGJHLPZQU-OAHLLOKOSA-N 1 2 283.375 3.119 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCCC1(C)C ZINC001559976435 938240584 /nfs/dbraw/zinc/24/05/84/938240584.db2.gz SYKXRFLDHOZRJM-HNNXBMFYSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCCC1(C)C ZINC001559976435 938240585 /nfs/dbraw/zinc/24/05/85/938240585.db2.gz SYKXRFLDHOZRJM-HNNXBMFYSA-N 1 2 293.451 3.480 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2ncc(Cl)s2)cs1 ZINC001560578027 938263597 /nfs/dbraw/zinc/26/35/97/938263597.db2.gz FQXUNHNRYLWWHK-UHFFFAOYSA-N 1 2 269.782 3.019 20 30 CGEDLO CCOc1c(Cl)cccc1C[NH2+][C@@H](C)CC#N ZINC001461723323 960501884 /nfs/dbraw/zinc/50/18/84/960501884.db2.gz AIYBMNXHGLBFCI-JTQLQIEISA-N 1 2 252.745 3.130 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001567920823 961464229 /nfs/dbraw/zinc/46/42/29/961464229.db2.gz LSLNIJBNPDUPHT-ZDUSSCGKSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001567920823 961464237 /nfs/dbraw/zinc/46/42/37/961464237.db2.gz LSLNIJBNPDUPHT-ZDUSSCGKSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001570712399 962056670 /nfs/dbraw/zinc/05/66/70/962056670.db2.gz KDMOKGORKMYJCM-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001570712399 962056683 /nfs/dbraw/zinc/05/66/83/962056683.db2.gz KDMOKGORKMYJCM-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001571524582 962181367 /nfs/dbraw/zinc/18/13/67/962181367.db2.gz HOMALQAWWFAWQX-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001571524582 962181371 /nfs/dbraw/zinc/18/13/71/962181371.db2.gz HOMALQAWWFAWQX-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(C[NH2+]Cc1n[nH]c2ccccc21)c1ccccc1 ZINC000589645836 346806943 /nfs/dbraw/zinc/80/69/43/346806943.db2.gz AQXYWMMSAQRNMN-UHFFFAOYSA-N 1 2 263.344 3.366 20 30 CGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000589984572 346820327 /nfs/dbraw/zinc/82/03/27/346820327.db2.gz LOLYOOZWWPXIHP-KRWDZBQOSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000589984572 346820331 /nfs/dbraw/zinc/82/03/31/346820331.db2.gz LOLYOOZWWPXIHP-KRWDZBQOSA-N 1 2 298.365 3.076 20 30 CGEDLO CCC[N@H+](Cc1coc(C)n1)Cc1ccc(C#N)cc1 ZINC000590604649 346854913 /nfs/dbraw/zinc/85/49/13/346854913.db2.gz MDYIZKYUHPNAHW-UHFFFAOYSA-N 1 2 269.348 3.267 20 30 CGEDLO CCC[N@@H+](Cc1coc(C)n1)Cc1ccc(C#N)cc1 ZINC000590604649 346854915 /nfs/dbraw/zinc/85/49/15/346854915.db2.gz MDYIZKYUHPNAHW-UHFFFAOYSA-N 1 2 269.348 3.267 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000590715598 346867161 /nfs/dbraw/zinc/86/71/61/346867161.db2.gz SLADFCKWZLXZFC-KRWDZBQOSA-N 1 2 270.376 3.353 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000590715598 346867166 /nfs/dbraw/zinc/86/71/66/346867166.db2.gz SLADFCKWZLXZFC-KRWDZBQOSA-N 1 2 270.376 3.353 20 30 CGEDLO CC[N@H+](Cc1ccncc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000592072770 346959983 /nfs/dbraw/zinc/95/99/83/346959983.db2.gz XOLPEBKEPICKIW-ZDUSSCGKSA-N 1 2 281.359 3.242 20 30 CGEDLO CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000592072770 346959988 /nfs/dbraw/zinc/95/99/88/346959988.db2.gz XOLPEBKEPICKIW-ZDUSSCGKSA-N 1 2 281.359 3.242 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC2(CCCC2)O1 ZINC000592194015 346971474 /nfs/dbraw/zinc/97/14/74/346971474.db2.gz NWBHFAUYMHHWCY-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC2(CCCC2)O1 ZINC000592194015 346971475 /nfs/dbraw/zinc/97/14/75/346971475.db2.gz NWBHFAUYMHHWCY-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO N#CC1(CNc2cc[nH+]c3ccccc23)CCCC1 ZINC000593484688 347085184 /nfs/dbraw/zinc/08/51/84/347085184.db2.gz LJXMFBXCZHGYHN-UHFFFAOYSA-N 1 2 251.333 3.153 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000045914446 345032045 /nfs/dbraw/zinc/03/20/45/345032045.db2.gz FUGUFDFUHVZBNX-UHFFFAOYSA-N 1 2 299.374 3.309 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3c(F)cc(C#N)cc3F)cn21 ZINC000068772194 345362117 /nfs/dbraw/zinc/36/21/17/345362117.db2.gz HXJYVRASGHZCIL-UHFFFAOYSA-N 1 2 298.296 3.405 20 30 CGEDLO C=C(C)CN(CC)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000074043649 345458619 /nfs/dbraw/zinc/45/86/19/345458619.db2.gz SUBWXCVYKQPOIF-UHFFFAOYSA-N 1 2 283.375 3.219 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000081038943 345696743 /nfs/dbraw/zinc/69/67/43/345696743.db2.gz XFEYMDSNGXCODF-UHFFFAOYSA-N 1 2 254.280 3.024 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000081038943 345696744 /nfs/dbraw/zinc/69/67/44/345696744.db2.gz XFEYMDSNGXCODF-UHFFFAOYSA-N 1 2 254.280 3.024 20 30 CGEDLO Cc1cccn2cc(CNc3ccc(Cl)c(C#N)n3)[nH+]c12 ZINC000091628242 345819321 /nfs/dbraw/zinc/81/93/21/345819321.db2.gz FCPMJGNPLBANBA-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000093872344 345891829 /nfs/dbraw/zinc/89/18/29/345891829.db2.gz ALVHNTZZJIXTOK-ROUUACIJSA-N 1 2 296.370 3.044 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000093872344 345891832 /nfs/dbraw/zinc/89/18/32/345891832.db2.gz ALVHNTZZJIXTOK-ROUUACIJSA-N 1 2 296.370 3.044 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCCCC2)c1C#N ZINC000154295998 346148074 /nfs/dbraw/zinc/14/80/74/346148074.db2.gz BBMKADYWHCUVOC-UHFFFAOYSA-N 1 2 280.375 3.038 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1ncc(Cl)c(C)c1C#N ZINC000273278247 192097308 /nfs/dbraw/zinc/09/73/08/192097308.db2.gz CXROZLMLSJZSSI-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO CCC(CC)n1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397689504 346584007 /nfs/dbraw/zinc/58/40/07/346584007.db2.gz OFNFJHKTBSGXDU-AWEZNQCLSA-N 1 2 274.412 3.370 20 30 CGEDLO CCC(CC)n1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397689504 346584010 /nfs/dbraw/zinc/58/40/10/346584010.db2.gz OFNFJHKTBSGXDU-AWEZNQCLSA-N 1 2 274.412 3.370 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cn2ccccc2n1 ZINC000585726006 346727902 /nfs/dbraw/zinc/72/79/02/346727902.db2.gz HZSHBHZGHHVMBN-GFCCVEGCSA-N 1 2 294.333 3.196 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000584757129 346712212 /nfs/dbraw/zinc/71/22/12/346712212.db2.gz XGQPAKSKARCMGX-UHFFFAOYSA-N 1 2 272.245 3.238 20 30 CGEDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594038359 347141855 /nfs/dbraw/zinc/14/18/55/347141855.db2.gz PFWYSAQLENMLAJ-LBPRGKRZSA-N 1 2 298.390 3.372 20 30 CGEDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594038359 347141858 /nfs/dbraw/zinc/14/18/58/347141858.db2.gz PFWYSAQLENMLAJ-LBPRGKRZSA-N 1 2 298.390 3.372 20 30 CGEDLO COc1c(C)[nH+]cnc1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000594585269 347196544 /nfs/dbraw/zinc/19/65/44/347196544.db2.gz CZXNLURPSCGRDA-HNNXBMFYSA-N 1 2 294.358 3.155 20 30 CGEDLO Cc1cc(N2Cc3ccc(C#N)cc3C2)nc(C2CC2)[nH+]1 ZINC000594602348 347201281 /nfs/dbraw/zinc/20/12/81/347201281.db2.gz FSAQFBJIEOUSLD-UHFFFAOYSA-N 1 2 276.343 3.054 20 30 CGEDLO CC(C)(C)c1n[nH]cc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613464 347203623 /nfs/dbraw/zinc/20/36/23/347203623.db2.gz ORKYPRYMGCKNFP-UHFFFAOYSA-N 1 2 280.375 3.095 20 30 CGEDLO CC(C)(C)c1n[nH]cc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613464 347203625 /nfs/dbraw/zinc/20/36/25/347203625.db2.gz ORKYPRYMGCKNFP-UHFFFAOYSA-N 1 2 280.375 3.095 20 30 CGEDLO COc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1OC ZINC000594613659 347203950 /nfs/dbraw/zinc/20/39/50/347203950.db2.gz QMGZUDCMAAJMBN-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1OC ZINC000594613659 347203953 /nfs/dbraw/zinc/20/39/53/347203953.db2.gz QMGZUDCMAAJMBN-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccsc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613345 347203967 /nfs/dbraw/zinc/20/39/67/347203967.db2.gz NVHQOBPFGMSFMI-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO COc1ccsc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613345 347203969 /nfs/dbraw/zinc/20/39/69/347203969.db2.gz NVHQOBPFGMSFMI-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO CC(C)(C#N)c1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000594518408 347187238 /nfs/dbraw/zinc/18/72/38/347187238.db2.gz IBFMILSLOGLYDG-UHFFFAOYSA-N 1 2 264.319 3.375 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594944191 347237944 /nfs/dbraw/zinc/23/79/44/347237944.db2.gz IIMLLEIKBDMIMK-LLVKDONJSA-N 1 2 298.415 3.253 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1Cl)C[C@H](C)C#N ZINC000595304922 347289873 /nfs/dbraw/zinc/28/98/73/347289873.db2.gz PNECFXRPRVPXME-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1Cl)C[C@H](C)C#N ZINC000595304922 347289876 /nfs/dbraw/zinc/28/98/76/347289876.db2.gz PNECFXRPRVPXME-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610177 347326405 /nfs/dbraw/zinc/32/64/05/347326405.db2.gz SOYRJJQNBHRVSZ-CQSZACIVSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610177 347326407 /nfs/dbraw/zinc/32/64/07/347326407.db2.gz SOYRJJQNBHRVSZ-CQSZACIVSA-N 1 2 296.374 3.171 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595617359 347328766 /nfs/dbraw/zinc/32/87/66/347328766.db2.gz ZAWRDALHRQTBRA-OLZOCXBDSA-N 1 2 293.436 3.366 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595617359 347328769 /nfs/dbraw/zinc/32/87/69/347328769.db2.gz ZAWRDALHRQTBRA-OLZOCXBDSA-N 1 2 293.436 3.366 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1nc(C#N)ccc1C ZINC000596255607 347405768 /nfs/dbraw/zinc/40/57/68/347405768.db2.gz UVJAKXNBCXNVEH-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000595842575 347366282 /nfs/dbraw/zinc/36/62/82/347366282.db2.gz SQRJQVXUJYICEP-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000595842575 347366284 /nfs/dbraw/zinc/36/62/84/347366284.db2.gz SQRJQVXUJYICEP-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cccc(OC2CC2)c1F ZINC000596988070 347524606 /nfs/dbraw/zinc/52/46/06/347524606.db2.gz RNHMIEJIKAHZJY-UHFFFAOYSA-N 1 2 276.355 3.491 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cccc(OC2CC2)c1F ZINC000596988070 347524609 /nfs/dbraw/zinc/52/46/09/347524609.db2.gz RNHMIEJIKAHZJY-UHFFFAOYSA-N 1 2 276.355 3.491 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(OC2CC2)c1F)CC1CC1 ZINC000596995576 347525546 /nfs/dbraw/zinc/52/55/46/347525546.db2.gz KEPLAJIWUMNNCA-UHFFFAOYSA-N 1 2 288.366 3.493 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(OC2CC2)c1F)CC1CC1 ZINC000596995576 347525551 /nfs/dbraw/zinc/52/55/51/347525551.db2.gz KEPLAJIWUMNNCA-UHFFFAOYSA-N 1 2 288.366 3.493 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229428 347557562 /nfs/dbraw/zinc/55/75/62/347557562.db2.gz ACCOKFFVVCLWGD-OIQJVACTSA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229428 347557565 /nfs/dbraw/zinc/55/75/65/347557565.db2.gz ACCOKFFVVCLWGD-OIQJVACTSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000597229484 347558508 /nfs/dbraw/zinc/55/85/08/347558508.db2.gz BCCWVMQQTKUEGB-FAAWYNLUSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000597229484 347558510 /nfs/dbraw/zinc/55/85/10/347558510.db2.gz BCCWVMQQTKUEGB-FAAWYNLUSA-N 1 2 262.303 3.214 20 30 CGEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)cc1Br ZINC000597194701 347548502 /nfs/dbraw/zinc/54/85/02/347548502.db2.gz XZPHDRIFFLGNRI-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000599069102 347714037 /nfs/dbraw/zinc/71/40/37/347714037.db2.gz UOCWKOKHARNFBD-SECBINFHSA-N 1 2 256.271 3.393 20 30 CGEDLO Cc1cc[nH+]c([C@@H]2CCN(c3cccc(F)c3C#N)C2)c1 ZINC000599098948 347716844 /nfs/dbraw/zinc/71/68/44/347716844.db2.gz DXMDHGPICCQZLJ-CYBMUJFWSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1nc(C2([NH2+]Cc3ccc(C)c(C#N)c3)CCCC2)no1 ZINC000599303105 347733860 /nfs/dbraw/zinc/73/38/60/347733860.db2.gz KZKHVPIFGGCFRP-UHFFFAOYSA-N 1 2 296.374 3.117 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)c(C#N)c2)n1 ZINC000599415683 347743253 /nfs/dbraw/zinc/74/32/53/347743253.db2.gz BOAZPPXOGOHPSU-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(C)c(C#N)c2)n1 ZINC000599415683 347743258 /nfs/dbraw/zinc/74/32/58/347743258.db2.gz BOAZPPXOGOHPSU-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600595952 347812638 /nfs/dbraw/zinc/81/26/38/347812638.db2.gz RSZNPIBKBZZPRS-HOTGVXAUSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000600601112 347813069 /nfs/dbraw/zinc/81/30/69/347813069.db2.gz AIVORFQLPZFWAN-CQSZACIVSA-N 1 2 261.365 3.093 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000600143462 347784177 /nfs/dbraw/zinc/78/41/77/347784177.db2.gz BWSDIQYPUZNXMG-ZETCQYMHSA-N 1 2 289.123 3.119 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000600146444 347784809 /nfs/dbraw/zinc/78/48/09/347784809.db2.gz WKTZKIHKBAFHDL-VIFPVBQESA-N 1 2 290.260 3.016 20 30 CGEDLO COc1ccc(-c2c[nH+]c(C(C)C)n2C)c(C#N)c1 ZINC000600845288 347840629 /nfs/dbraw/zinc/84/06/29/347840629.db2.gz LWFYKAMBUZZJAY-UHFFFAOYSA-N 1 2 255.321 3.091 20 30 CGEDLO C[C@@H]([NH2+]CCC#N)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000601969339 347930657 /nfs/dbraw/zinc/93/06/57/347930657.db2.gz QIYJAFQMENNNQN-SSDOTTSWSA-N 1 2 283.162 3.434 20 30 CGEDLO N#CC[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000602478617 347965794 /nfs/dbraw/zinc/96/57/94/347965794.db2.gz QXPAOVCWKAADMX-MRXNPFEDSA-N 1 2 283.419 3.281 20 30 CGEDLO N#CC[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000602478617 347965795 /nfs/dbraw/zinc/96/57/95/347965795.db2.gz QXPAOVCWKAADMX-MRXNPFEDSA-N 1 2 283.419 3.281 20 30 CGEDLO CCN(CC)c1ccc(NC[C@@H](C)CCC#N)c[nH+]1 ZINC000602574701 347985877 /nfs/dbraw/zinc/98/58/77/347985877.db2.gz LRVIFCBQGUGELG-ZDUSSCGKSA-N 1 2 260.385 3.280 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000602610653 347993358 /nfs/dbraw/zinc/99/33/58/347993358.db2.gz ICQXKGIRRWKQSZ-LLVKDONJSA-N 1 2 282.771 3.139 20 30 CGEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(C)c(C)c1 ZINC000602624660 347996084 /nfs/dbraw/zinc/99/60/84/347996084.db2.gz LWMQXHQUVUZMAD-LRDDRELGSA-N 1 2 288.391 3.047 20 30 CGEDLO Cc1[nH+]cccc1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC000603223491 348064813 /nfs/dbraw/zinc/06/48/13/348064813.db2.gz RIGFQMZCHOTJTL-UHFFFAOYSA-N 1 2 295.390 3.046 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973720 348047722 /nfs/dbraw/zinc/04/77/22/348047722.db2.gz DORBKFKSKCQDQE-RISCZKNCSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602973720 348047723 /nfs/dbraw/zinc/04/77/23/348047723.db2.gz DORBKFKSKCQDQE-RISCZKNCSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602982595 348052545 /nfs/dbraw/zinc/05/25/45/348052545.db2.gz VDFRNDDLCQCEGM-CMPLNLGQSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602982595 348052548 /nfs/dbraw/zinc/05/25/48/348052548.db2.gz VDFRNDDLCQCEGM-CMPLNLGQSA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(F)F ZINC000603428276 348082826 /nfs/dbraw/zinc/08/28/26/348082826.db2.gz GKWBYEQTBWHUGD-RNCFNFMXSA-N 1 2 250.292 3.179 20 30 CGEDLO COc1ccc(N[C@H](C)c2cccc(C#N)c2)[nH+]c1 ZINC000611475612 348454818 /nfs/dbraw/zinc/45/48/18/348454818.db2.gz JUDNVEGTFSGKQQ-LLVKDONJSA-N 1 2 253.305 3.135 20 30 CGEDLO COc1ccc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]c1 ZINC000611475609 348454934 /nfs/dbraw/zinc/45/49/34/348454934.db2.gz IITIRNKETBAZDI-MRXNPFEDSA-N 1 2 279.343 3.451 20 30 CGEDLO COc1ccc(N[C@H](C)c2ccc(C#N)cc2F)[nH+]c1 ZINC000611588542 348462595 /nfs/dbraw/zinc/46/25/95/348462595.db2.gz FDDRVUMZZDMGNS-SNVBAGLBSA-N 1 2 271.295 3.274 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612167930 348499181 /nfs/dbraw/zinc/49/91/81/348499181.db2.gz ZHPZRQZOSGUPCZ-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612167930 348499183 /nfs/dbraw/zinc/49/91/83/348499183.db2.gz ZHPZRQZOSGUPCZ-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO C[C@@]1(C#N)CCCN(Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000612166351 348499249 /nfs/dbraw/zinc/49/92/49/348499249.db2.gz SGWVCMVYNJGDTK-SFHVURJKSA-N 1 2 294.402 3.057 20 30 CGEDLO CCOc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612406747 348517579 /nfs/dbraw/zinc/51/75/79/348517579.db2.gz SJHBWBOZMDERJJ-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612406747 348517581 /nfs/dbraw/zinc/51/75/81/348517581.db2.gz SJHBWBOZMDERJJ-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000612525859 348525639 /nfs/dbraw/zinc/52/56/39/348525639.db2.gz JZMSOOWVZIPQAC-JQWIXIFHSA-N 1 2 294.420 3.081 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000612525861 348525668 /nfs/dbraw/zinc/52/56/68/348525668.db2.gz JZMSOOWVZIPQAC-ZYHUDNBSSA-N 1 2 294.420 3.081 20 30 CGEDLO C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)Cn1cc[nH+]c1 ZINC000613414523 348599355 /nfs/dbraw/zinc/59/93/55/348599355.db2.gz CJZHMBMAQBPNTO-CYBMUJFWSA-N 1 2 297.406 3.195 20 30 CGEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)cs1 ZINC000614207891 348657871 /nfs/dbraw/zinc/65/78/71/348657871.db2.gz SXKRERDWRCESOP-OAHLLOKOSA-N 1 2 284.388 3.055 20 30 CGEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cs1 ZINC000614207891 348657873 /nfs/dbraw/zinc/65/78/73/348657873.db2.gz SXKRERDWRCESOP-OAHLLOKOSA-N 1 2 284.388 3.055 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000617043444 348907050 /nfs/dbraw/zinc/90/70/50/348907050.db2.gz ABSHZHYXQZTHFU-KFWWJZLASA-N 1 2 275.396 3.085 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1csc2ccccc12 ZINC000619716534 349278327 /nfs/dbraw/zinc/27/83/27/349278327.db2.gz SPMASEAOOZKCGN-CYBMUJFWSA-N 1 2 275.373 3.061 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1csc2ccccc12 ZINC000619716534 349278331 /nfs/dbraw/zinc/27/83/31/349278331.db2.gz SPMASEAOOZKCGN-CYBMUJFWSA-N 1 2 275.373 3.061 20 30 CGEDLO COc1ccc(CNc2c[nH+]c3c(c2)CCCC3)cc1C#N ZINC000359823534 233380335 /nfs/dbraw/zinc/38/03/35/233380335.db2.gz VZNBCKWONMIQOZ-UHFFFAOYSA-N 1 2 293.370 3.453 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)on1 ZINC000336517088 213396290 /nfs/dbraw/zinc/39/62/90/213396290.db2.gz YMUFQCLSAGLRKX-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)on1 ZINC000336517088 213396291 /nfs/dbraw/zinc/39/62/91/213396291.db2.gz YMUFQCLSAGLRKX-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO C=CCC[C@@H](NC(=O)Cc1[nH]cc(CC)[nH+]1)c1ccccc1 ZINC000635718125 351685685 /nfs/dbraw/zinc/68/56/85/351685685.db2.gz XSAUJJLHEKBDDM-MRXNPFEDSA-N 1 2 297.402 3.338 20 30 CGEDLO C=CC[C@H]1N(C(=O)Cc2[nH]cc(CC)[nH+]2)CCCC1(C)C ZINC000635863300 351698447 /nfs/dbraw/zinc/69/84/47/351698447.db2.gz XECDVVXNJWSXSB-CQSZACIVSA-N 1 2 289.423 3.108 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156913918 188287339 /nfs/dbraw/zinc/28/73/39/188287339.db2.gz GZUVUJHDNYVDTO-ZDUSSCGKSA-N 1 2 288.391 3.376 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156913918 188287340 /nfs/dbraw/zinc/28/73/40/188287340.db2.gz GZUVUJHDNYVDTO-ZDUSSCGKSA-N 1 2 288.391 3.376 20 30 CGEDLO Cc1cc(NCc2ccc(OC(C)C)cc2)c(C#N)c[nH+]1 ZINC000425202910 236220330 /nfs/dbraw/zinc/22/03/30/236220330.db2.gz DJTLVFCPBACZED-UHFFFAOYSA-N 1 2 281.359 3.083 20 30 CGEDLO Cc1cc(N(C)CCCOc2ccccc2)c(C#N)c[nH+]1 ZINC000425210595 236220791 /nfs/dbraw/zinc/22/07/91/236220791.db2.gz UWGZEPNXMDOYQQ-UHFFFAOYSA-N 1 2 281.359 3.167 20 30 CGEDLO Cc1cc(N2CC[C@@H](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425227884 236221239 /nfs/dbraw/zinc/22/12/39/236221239.db2.gz JRNRIYVLVRMKOU-INIZCTEOSA-N 1 2 277.371 3.331 20 30 CGEDLO Cc1cc(NC[C@H]2SCCc3ccccc32)c(C#N)c[nH+]1 ZINC000425222657 236221337 /nfs/dbraw/zinc/22/13/37/236221337.db2.gz ASSVMWKVCHTJMR-QGZVFWFLSA-N 1 2 295.411 3.126 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341800331 216110233 /nfs/dbraw/zinc/11/02/33/216110233.db2.gz RJFXCLIGNGCZAE-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341800331 216110236 /nfs/dbraw/zinc/11/02/36/216110236.db2.gz RJFXCLIGNGCZAE-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO CCc1nc([C@@H](C)[NH2+]Cc2ccccc2C#N)cs1 ZINC000179087218 189168223 /nfs/dbraw/zinc/16/82/23/189168223.db2.gz CQQXCCAQPFZJTQ-LLVKDONJSA-N 1 2 271.389 3.428 20 30 CGEDLO C#CCCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000179916321 189227935 /nfs/dbraw/zinc/22/79/35/189227935.db2.gz UNQHQARSMYZBFV-UHFFFAOYSA-N 1 2 267.332 3.209 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000275329977 193002683 /nfs/dbraw/zinc/00/26/83/193002683.db2.gz MVKZANLYSXACDR-SSDOTTSWSA-N 1 2 293.567 3.386 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000121321431 370852257 /nfs/dbraw/zinc/85/22/57/370852257.db2.gz UQRBAMQUJJEURW-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000121321431 370852260 /nfs/dbraw/zinc/85/22/60/370852260.db2.gz UQRBAMQUJJEURW-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[NH+]2CCCCCC2)s1 ZINC000040828203 369165479 /nfs/dbraw/zinc/16/54/79/369165479.db2.gz LZWFDQFHXDOQGM-UHFFFAOYSA-N 1 2 282.413 3.126 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)ccc1OC ZINC000042454549 369222493 /nfs/dbraw/zinc/22/24/93/369222493.db2.gz HOZPRVDXMSJQAR-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)ccc1OC ZINC000042454549 369222499 /nfs/dbraw/zinc/22/24/99/369222499.db2.gz HOZPRVDXMSJQAR-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000127615629 370954938 /nfs/dbraw/zinc/95/49/38/370954938.db2.gz LHVZJSBDFZWWPK-UHFFFAOYSA-N 1 2 271.364 3.105 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000127615629 370954942 /nfs/dbraw/zinc/95/49/42/370954942.db2.gz LHVZJSBDFZWWPK-UHFFFAOYSA-N 1 2 271.364 3.105 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccnc1C ZINC000092646392 370099278 /nfs/dbraw/zinc/09/92/78/370099278.db2.gz XRKIQTDPOQYWKL-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccnc1C ZINC000092646392 370099290 /nfs/dbraw/zinc/09/92/90/370099290.db2.gz XRKIQTDPOQYWKL-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1OC ZINC000093101198 370109618 /nfs/dbraw/zinc/10/96/18/370109618.db2.gz PZZDMFTZAIRWCY-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1OC ZINC000093101198 370109621 /nfs/dbraw/zinc/10/96/21/370109621.db2.gz PZZDMFTZAIRWCY-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000093100897 370109724 /nfs/dbraw/zinc/10/97/24/370109724.db2.gz BWTMMHBCLSGCSB-UHFFFAOYSA-N 1 2 276.428 3.469 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000093100897 370109728 /nfs/dbraw/zinc/10/97/28/370109728.db2.gz BWTMMHBCLSGCSB-UHFFFAOYSA-N 1 2 276.428 3.469 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000129594517 370994262 /nfs/dbraw/zinc/99/42/62/370994262.db2.gz WEOZQFKFASTKAS-NSHDSACASA-N 1 2 257.312 3.108 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000129594517 370994266 /nfs/dbraw/zinc/99/42/66/370994266.db2.gz WEOZQFKFASTKAS-NSHDSACASA-N 1 2 257.312 3.108 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135113143 371391455 /nfs/dbraw/zinc/39/14/55/371391455.db2.gz SOYNRCCUKLNZDU-LSDHHAIUSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nccs1 ZINC000135113143 371391457 /nfs/dbraw/zinc/39/14/57/371391457.db2.gz SOYNRCCUKLNZDU-LSDHHAIUSA-N 1 2 283.400 3.415 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)ccc1Br ZINC000157774176 372036494 /nfs/dbraw/zinc/03/64/94/372036494.db2.gz HQKIETCCJQHVKB-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)ccc1Br ZINC000157774176 372036498 /nfs/dbraw/zinc/03/64/98/372036498.db2.gz HQKIETCCJQHVKB-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO C=C(CC)C[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000157098996 372007613 /nfs/dbraw/zinc/00/76/13/372007613.db2.gz XNPNMABYVHITJO-UHFFFAOYSA-N 1 2 261.365 3.018 20 30 CGEDLO C=C(CC)C[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000157098996 372007619 /nfs/dbraw/zinc/00/76/19/372007619.db2.gz XNPNMABYVHITJO-UHFFFAOYSA-N 1 2 261.365 3.018 20 30 CGEDLO CN1CC[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000428217756 372182308 /nfs/dbraw/zinc/18/23/08/372182308.db2.gz UEXPJMHBMAGKAN-UHFFFAOYSA-N 1 2 295.361 3.149 20 30 CGEDLO CN1CC[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc21 ZINC000428217756 372182317 /nfs/dbraw/zinc/18/23/17/372182317.db2.gz UEXPJMHBMAGKAN-UHFFFAOYSA-N 1 2 295.361 3.149 20 30 CGEDLO C=CC[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000428381955 372186400 /nfs/dbraw/zinc/18/64/00/372186400.db2.gz IFCUWFDIXHBRJR-UHFFFAOYSA-N 1 2 297.189 3.192 20 30 CGEDLO C=CC[N@H+](C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000428381955 372186406 /nfs/dbraw/zinc/18/64/06/372186406.db2.gz IFCUWFDIXHBRJR-UHFFFAOYSA-N 1 2 297.189 3.192 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933162 372282815 /nfs/dbraw/zinc/28/28/15/372282815.db2.gz KTKDJFZOMWHWTO-DOMZBBRYSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428933162 372282821 /nfs/dbraw/zinc/28/28/21/372282821.db2.gz KTKDJFZOMWHWTO-DOMZBBRYSA-N 1 2 297.320 3.491 20 30 CGEDLO CC(C)[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160878996 372285328 /nfs/dbraw/zinc/28/53/28/372285328.db2.gz GNFRXQNIVTVRSN-OAHLLOKOSA-N 1 2 278.396 3.271 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160878996 372285334 /nfs/dbraw/zinc/28/53/34/372285334.db2.gz GNFRXQNIVTVRSN-OAHLLOKOSA-N 1 2 278.396 3.271 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)s1 ZINC000162772725 372418703 /nfs/dbraw/zinc/41/87/03/372418703.db2.gz AHBHYMJIQINPJN-UHFFFAOYSA-N 1 2 266.753 3.498 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)s1 ZINC000162772725 372418711 /nfs/dbraw/zinc/41/87/11/372418711.db2.gz AHBHYMJIQINPJN-UHFFFAOYSA-N 1 2 266.753 3.498 20 30 CGEDLO C=CCC(C)(C)CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000432172148 372543067 /nfs/dbraw/zinc/54/30/67/372543067.db2.gz KOWQHIZYSPCNBR-UHFFFAOYSA-N 1 2 282.391 3.283 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433308506 372587978 /nfs/dbraw/zinc/58/79/78/372587978.db2.gz YUYDXPZKWTWGRJ-ZDUSSCGKSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433308506 372587985 /nfs/dbraw/zinc/58/79/85/372587985.db2.gz YUYDXPZKWTWGRJ-ZDUSSCGKSA-N 1 2 287.407 3.058 20 30 CGEDLO Cc1c(Cl)cnc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C#N ZINC000333667080 291553177 /nfs/dbraw/zinc/55/31/77/291553177.db2.gz IBSOPRUHYPIBDZ-PRHODGIISA-N 1 2 287.754 3.230 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441167311 372998765 /nfs/dbraw/zinc/99/87/65/372998765.db2.gz OLOHPDVWHVAYRD-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441167311 372998771 /nfs/dbraw/zinc/99/87/71/372998771.db2.gz OLOHPDVWHVAYRD-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cc(COC)on1)Cc1ccccc1 ZINC000298012795 373288901 /nfs/dbraw/zinc/28/89/01/373288901.db2.gz CMSGYJNSPNXDML-UHFFFAOYSA-N 1 2 286.375 3.399 20 30 CGEDLO C=C(C)C[N@H+](Cc1cc(COC)on1)Cc1ccccc1 ZINC000298012795 373288914 /nfs/dbraw/zinc/28/89/14/373288914.db2.gz CMSGYJNSPNXDML-UHFFFAOYSA-N 1 2 286.375 3.399 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1nc(C)cs1 ZINC000174359514 373299633 /nfs/dbraw/zinc/29/96/33/373299633.db2.gz HEQZUIYGDDJOHT-LBPRGKRZSA-N 1 2 261.350 3.157 20 30 CGEDLO C=CC[N@@H+](Cc1nccn1C(F)F)Cc1ccccc1 ZINC000298478944 373337960 /nfs/dbraw/zinc/33/79/60/373337960.db2.gz GLXNQZWQIUXJOI-UHFFFAOYSA-N 1 2 277.318 3.466 20 30 CGEDLO C=CC[N@H+](Cc1nccn1C(F)F)Cc1ccccc1 ZINC000298478944 373337968 /nfs/dbraw/zinc/33/79/68/373337968.db2.gz GLXNQZWQIUXJOI-UHFFFAOYSA-N 1 2 277.318 3.466 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nnc(C)s1 ZINC000298886936 373430101 /nfs/dbraw/zinc/43/01/01/373430101.db2.gz KTLJHENKASEMQL-LLVKDONJSA-N 1 2 277.393 3.231 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nnc(C)s1 ZINC000298886936 373430103 /nfs/dbraw/zinc/43/01/03/373430103.db2.gz KTLJHENKASEMQL-LLVKDONJSA-N 1 2 277.393 3.231 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000447827812 373501213 /nfs/dbraw/zinc/50/12/13/373501213.db2.gz CXWSUTBSTSPWRQ-KRWDZBQOSA-N 1 2 297.402 3.058 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000447827812 373501217 /nfs/dbraw/zinc/50/12/17/373501217.db2.gz CXWSUTBSTSPWRQ-KRWDZBQOSA-N 1 2 297.402 3.058 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)c(F)c1 ZINC000345038467 217392887 /nfs/dbraw/zinc/39/28/87/217392887.db2.gz HWAUORQEZBSMAY-UHFFFAOYSA-N 1 2 298.365 3.299 20 30 CGEDLO N#C[C@H]1[N@H+](CC2CCCCC2)CCC[C@]12CCCCO2 ZINC000447912809 373522138 /nfs/dbraw/zinc/52/21/38/373522138.db2.gz KVWLMNOWPVKCHK-IAGOWNOFSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@H]1[N@@H+](CC2CCCCC2)CCC[C@]12CCCCO2 ZINC000447912809 373522142 /nfs/dbraw/zinc/52/21/42/373522142.db2.gz KVWLMNOWPVKCHK-IAGOWNOFSA-N 1 2 276.424 3.494 20 30 CGEDLO COc1cc(C)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000449023341 373656768 /nfs/dbraw/zinc/65/67/68/373656768.db2.gz PUHLFNACEUAQTD-UHFFFAOYSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cc(C)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000449023341 373656779 /nfs/dbraw/zinc/65/67/79/373656779.db2.gz PUHLFNACEUAQTD-UHFFFAOYSA-N 1 2 258.365 3.129 20 30 CGEDLO CC[C@@H](C#N)Oc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000301280752 373726547 /nfs/dbraw/zinc/72/65/47/373726547.db2.gz MJGWLWLTNLXZDU-AWEZNQCLSA-N 1 2 282.347 3.078 20 30 CGEDLO C=CCC[C@H]([NH2+]C1CC(c2ccccc2)C1)C(=O)OCC ZINC000449655175 373839073 /nfs/dbraw/zinc/83/90/73/373839073.db2.gz GNHJOZZYSLAWJV-JCYILVPMSA-N 1 2 287.403 3.420 20 30 CGEDLO C=CCO[C@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000302187905 373825206 /nfs/dbraw/zinc/82/52/06/373825206.db2.gz UXDFOYHGWBZZIR-ZDUSSCGKSA-N 1 2 286.350 3.464 20 30 CGEDLO Cc1cc(C#N)cc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000449756444 373885569 /nfs/dbraw/zinc/88/55/69/373885569.db2.gz BFAPZUBEJCJYKI-UHFFFAOYSA-N 1 2 294.280 3.238 20 30 CGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC2(C#N)CCC2)s1 ZINC000450388242 374097896 /nfs/dbraw/zinc/09/78/96/374097896.db2.gz IKCHECIQKZLDEN-NSHDSACASA-N 1 2 263.410 3.447 20 30 CGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC2(C#N)CCC2)s1 ZINC000450388242 374097903 /nfs/dbraw/zinc/09/79/03/374097903.db2.gz IKCHECIQKZLDEN-NSHDSACASA-N 1 2 263.410 3.447 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H](C)CO1 ZINC000450442064 374133687 /nfs/dbraw/zinc/13/36/87/374133687.db2.gz SFDDIGXIMWXDEM-WBVHZDCISA-N 1 2 284.403 3.451 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)CO1 ZINC000450442064 374133692 /nfs/dbraw/zinc/13/36/92/374133692.db2.gz SFDDIGXIMWXDEM-WBVHZDCISA-N 1 2 284.403 3.451 20 30 CGEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000450463405 374145797 /nfs/dbraw/zinc/14/57/97/374145797.db2.gz OTWRCEQDKQXTKV-YJBOKZPZSA-N 1 2 298.386 3.160 20 30 CGEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000450463405 374145809 /nfs/dbraw/zinc/14/58/09/374145809.db2.gz OTWRCEQDKQXTKV-YJBOKZPZSA-N 1 2 298.386 3.160 20 30 CGEDLO N#Cc1cc(NCCCCn2cc[nH+]c2)nc2ccccc12 ZINC000316388492 374334440 /nfs/dbraw/zinc/33/44/40/374334440.db2.gz YAOLTIKGKOZQMA-UHFFFAOYSA-N 1 2 291.358 3.195 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1nccs1 ZINC000185086735 374586785 /nfs/dbraw/zinc/58/67/85/374586785.db2.gz JFJIIIYJRCGGGS-CYBMUJFWSA-N 1 2 275.352 3.395 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459434904 374807139 /nfs/dbraw/zinc/80/71/39/374807139.db2.gz VGTHMLVALPBNLZ-ZDUSSCGKSA-N 1 2 271.320 3.007 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459434904 374807146 /nfs/dbraw/zinc/80/71/46/374807146.db2.gz VGTHMLVALPBNLZ-ZDUSSCGKSA-N 1 2 271.320 3.007 20 30 CGEDLO COC[C@@H]1CCc2[nH+]c3ccc(C#N)cc3c(C)c2C1 ZINC000334600333 374895461 /nfs/dbraw/zinc/89/54/61/374895461.db2.gz VSYYUILTICSDOR-CYBMUJFWSA-N 1 2 266.344 3.166 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000481304019 375163912 /nfs/dbraw/zinc/16/39/12/375163912.db2.gz XGQWSRFZTKJIIQ-LBPRGKRZSA-N 1 2 289.354 3.368 20 30 CGEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000481304019 375163913 /nfs/dbraw/zinc/16/39/13/375163913.db2.gz XGQWSRFZTKJIIQ-LBPRGKRZSA-N 1 2 289.354 3.368 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1cc(-c2cccs2)on1 ZINC000191073901 375571718 /nfs/dbraw/zinc/57/17/18/375571718.db2.gz GVLLTAFNAOACEG-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1cc(-c2cccs2)on1 ZINC000191073901 375571726 /nfs/dbraw/zinc/57/17/26/375571726.db2.gz GVLLTAFNAOACEG-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO N#C[C@@H]1CC[C@@H](Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000574628706 335034673 /nfs/dbraw/zinc/03/46/73/335034673.db2.gz WREGJDNNYPCROO-HUUCEWRRSA-N 1 2 296.374 3.066 20 30 CGEDLO Cn1cc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1C#N ZINC000191514008 375636750 /nfs/dbraw/zinc/63/67/50/375636750.db2.gz SMJABALDBSNMJK-UHFFFAOYSA-N 1 2 299.765 3.049 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000500801608 375637313 /nfs/dbraw/zinc/63/73/13/375637313.db2.gz BSZOUPLUJYPVRM-HZPDHXFCSA-N 1 2 275.392 3.023 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000191889743 375673139 /nfs/dbraw/zinc/67/31/39/375673139.db2.gz LEXBMCSUEZIPFT-OAHLLOKOSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000191889743 375673146 /nfs/dbraw/zinc/67/31/46/375673146.db2.gz LEXBMCSUEZIPFT-OAHLLOKOSA-N 1 2 288.391 3.110 20 30 CGEDLO Cc1ccc(NCc2c(F)cc(C#N)cc2F)c[nH+]1 ZINC000194421400 376002849 /nfs/dbraw/zinc/00/28/49/376002849.db2.gz SIASSDNTDBWCDM-UHFFFAOYSA-N 1 2 259.259 3.152 20 30 CGEDLO Cn1cc(CNc2ccc([NH+]3CCCC3)cc2)cc1C#N ZINC000232314529 376579301 /nfs/dbraw/zinc/57/93/01/376579301.db2.gz ZBKBSIWBRRZKQD-UHFFFAOYSA-N 1 2 280.375 3.109 20 30 CGEDLO C=CCOCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000339125437 376697564 /nfs/dbraw/zinc/69/75/64/376697564.db2.gz ZSOBGFKRNKKJAV-UHFFFAOYSA-N 1 2 267.319 3.132 20 30 CGEDLO C=CCOCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000339125437 376697571 /nfs/dbraw/zinc/69/75/71/376697571.db2.gz ZSOBGFKRNKKJAV-UHFFFAOYSA-N 1 2 267.319 3.132 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000339441646 376757292 /nfs/dbraw/zinc/75/72/92/376757292.db2.gz YLDHEPRVBIVAOW-INIZCTEOSA-N 1 2 299.374 3.182 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ccnc(C)n1)c1ccc(F)c(F)c1 ZINC000339354991 376745715 /nfs/dbraw/zinc/74/57/15/376745715.db2.gz KWRIRWDRQKELFH-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO COc1cccc(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545220383 376800289 /nfs/dbraw/zinc/80/02/89/376800289.db2.gz XCEKDUSSAXLECV-UHFFFAOYSA-N 1 2 287.750 3.422 20 30 CGEDLO COc1c(C)c[nH+]c(CN2CCc3ccc(C#N)cc32)c1C ZINC000339832315 376865972 /nfs/dbraw/zinc/86/59/72/376865972.db2.gz ZJMKEPYBWXPOBI-UHFFFAOYSA-N 1 2 293.370 3.141 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245798072 376911123 /nfs/dbraw/zinc/91/11/23/376911123.db2.gz XJDBOBCMKAFYAZ-KSSFIOAISA-N 1 2 296.370 3.422 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245798072 376911132 /nfs/dbraw/zinc/91/11/32/376911132.db2.gz XJDBOBCMKAFYAZ-KSSFIOAISA-N 1 2 296.370 3.422 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(OC)c(Cl)c1 ZINC000562353918 377299066 /nfs/dbraw/zinc/29/90/66/377299066.db2.gz FVMSZSSKAMNZCJ-GFCCVEGCSA-N 1 2 266.772 3.284 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(OC)c(Cl)c1 ZINC000562353918 377299070 /nfs/dbraw/zinc/29/90/70/377299070.db2.gz FVMSZSSKAMNZCJ-GFCCVEGCSA-N 1 2 266.772 3.284 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000572004332 377544710 /nfs/dbraw/zinc/54/47/10/377544710.db2.gz CWQYTOSYWITODP-AWEZNQCLSA-N 1 2 299.374 3.428 20 30 CGEDLO C=CCCN(C)c1c(C(=O)OCC)c[nH+]c2ccccc21 ZINC000341426268 377560163 /nfs/dbraw/zinc/56/01/63/377560163.db2.gz PBPCMFVOZYOPPL-UHFFFAOYSA-N 1 2 284.359 3.424 20 30 CGEDLO Cc1c[nH+]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000342794641 377798465 /nfs/dbraw/zinc/79/84/65/377798465.db2.gz UVGHDLURYCXNMU-IRXDYDNUSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cccc(CCCNc2ccc(F)cc2C#N)[nH+]1 ZINC000343235111 377936477 /nfs/dbraw/zinc/93/64/77/377936477.db2.gz DZGSJZJIYCONFQ-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000264441372 377985146 /nfs/dbraw/zinc/98/51/46/377985146.db2.gz FUFAGNDEUFCFOA-LLVKDONJSA-N 1 2 296.773 3.458 20 30 CGEDLO C=CCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccccc1 ZINC000269529605 378232956 /nfs/dbraw/zinc/23/29/56/378232956.db2.gz SNIGUVFKMXBGHP-CQSZACIVSA-N 1 2 269.348 3.155 20 30 CGEDLO C=C1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000271146244 378463179 /nfs/dbraw/zinc/46/31/79/378463179.db2.gz AMJFIBOWTKAEGC-ZDUSSCGKSA-N 1 2 264.394 3.147 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000271148406 378463599 /nfs/dbraw/zinc/46/35/99/378463599.db2.gz ZUJDGRIDFOWCJV-QMMMGPOBSA-N 1 2 273.163 3.290 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000271148406 378463605 /nfs/dbraw/zinc/46/36/05/378463605.db2.gz ZUJDGRIDFOWCJV-QMMMGPOBSA-N 1 2 273.163 3.290 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000274182309 378789102 /nfs/dbraw/zinc/78/91/02/378789102.db2.gz PBOFLIBYZMXZEZ-UHFFFAOYSA-N 1 2 288.297 3.217 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C1CC1 ZINC000274182309 378789109 /nfs/dbraw/zinc/78/91/09/378789109.db2.gz PBOFLIBYZMXZEZ-UHFFFAOYSA-N 1 2 288.297 3.217 20 30 CGEDLO C=CCC[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000275130490 378941911 /nfs/dbraw/zinc/94/19/11/378941911.db2.gz XXFOAEGBHTWHDZ-MRXNPFEDSA-N 1 2 297.402 3.129 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)s2)n1 ZINC000279670875 379485852 /nfs/dbraw/zinc/48/58/52/379485852.db2.gz FFTVZTBDGIKDSI-UHFFFAOYSA-N 1 2 293.823 3.253 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)s2)n1 ZINC000279670875 379485862 /nfs/dbraw/zinc/48/58/62/379485862.db2.gz FFTVZTBDGIKDSI-UHFFFAOYSA-N 1 2 293.823 3.253 20 30 CGEDLO C=CCCO[C@@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351234289 379687620 /nfs/dbraw/zinc/68/76/20/379687620.db2.gz NFVQMQUZZWZXHQ-LBPRGKRZSA-N 1 2 273.336 3.018 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000640029542 379693063 /nfs/dbraw/zinc/69/30/63/379693063.db2.gz IXDSOSSGXQKIHK-HOTGVXAUSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000640029542 379693074 /nfs/dbraw/zinc/69/30/74/379693074.db2.gz IXDSOSSGXQKIHK-HOTGVXAUSA-N 1 2 256.349 3.013 20 30 CGEDLO C=CCCCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000267244413 190314541 /nfs/dbraw/zinc/31/45/41/190314541.db2.gz YFXQFXXOAGZLIU-UHFFFAOYSA-N 1 2 283.375 3.119 20 30 CGEDLO COc1cccc(C2([NH2+]Cc3ccc(F)cc3C#N)CC2)c1 ZINC000352246083 379756635 /nfs/dbraw/zinc/75/66/35/379756635.db2.gz MFZUOSHTZMZJJT-UHFFFAOYSA-N 1 2 296.345 3.485 20 30 CGEDLO COc1ccc(Cl)c(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352482692 379832694 /nfs/dbraw/zinc/83/26/94/379832694.db2.gz HHKRRMZBEJUJOB-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1ccc(C#N)cc1OC ZINC000352554521 379856869 /nfs/dbraw/zinc/85/68/69/379856869.db2.gz SVDIZGAGVRTYGR-UHFFFAOYSA-N 1 2 282.343 3.412 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC=C(Br)C2)s1 ZINC000282270048 379885967 /nfs/dbraw/zinc/88/59/67/379885967.db2.gz KKUUGSYUBQDSSH-UHFFFAOYSA-N 1 2 283.194 3.104 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC=C(Br)C2)s1 ZINC000282270048 379885971 /nfs/dbraw/zinc/88/59/71/379885971.db2.gz KKUUGSYUBQDSSH-UHFFFAOYSA-N 1 2 283.194 3.104 20 30 CGEDLO CC[C@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H](CC)O1 ZINC000398553295 379931342 /nfs/dbraw/zinc/93/13/42/379931342.db2.gz YLSGEGGFQDJQDA-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2nccs2)c(C(F)(F)F)c1 ZINC000352838969 379994544 /nfs/dbraw/zinc/99/45/44/379994544.db2.gz HNLXBRHSZPRJHD-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO Cc1cccnc1[C@H]([NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352841311 379997457 /nfs/dbraw/zinc/99/74/57/379997457.db2.gz OKKIFQDLCPETEM-CQSZACIVSA-N 1 2 286.404 3.205 20 30 CGEDLO Cc1csc(C(C)(C)[NH2+]Cc2cccc(C#N)c2F)n1 ZINC000352890406 380022093 /nfs/dbraw/zinc/02/20/93/380022093.db2.gz XQRCFMIWPQHPRI-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268190069 190384693 /nfs/dbraw/zinc/38/46/93/190384693.db2.gz VXLMZTGGJBGCMB-UHFFFAOYSA-N 1 2 299.418 3.066 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(CC)nc1)Cc1ccccc1F ZINC000414382319 380216264 /nfs/dbraw/zinc/21/62/64/380216264.db2.gz OODNGVLGYDUCHK-UHFFFAOYSA-N 1 2 285.366 3.366 20 30 CGEDLO C=CC[N@H+](Cc1cnc(CC)nc1)Cc1ccccc1F ZINC000414382319 380216271 /nfs/dbraw/zinc/21/62/71/380216271.db2.gz OODNGVLGYDUCHK-UHFFFAOYSA-N 1 2 285.366 3.366 20 30 CGEDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000354018513 380282756 /nfs/dbraw/zinc/28/27/56/380282756.db2.gz QJJGZWBGDDURIS-VURMDHGXSA-N 1 2 273.336 3.090 20 30 CGEDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000354018513 380282759 /nfs/dbraw/zinc/28/27/59/380282759.db2.gz QJJGZWBGDDURIS-VURMDHGXSA-N 1 2 273.336 3.090 20 30 CGEDLO CC#CC[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000645262028 380635652 /nfs/dbraw/zinc/63/56/52/380635652.db2.gz KEAYZSRIWYSEML-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000645262028 380635656 /nfs/dbraw/zinc/63/56/56/380635656.db2.gz KEAYZSRIWYSEML-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356486374 380801568 /nfs/dbraw/zinc/80/15/68/380801568.db2.gz XPUKNRVSMSIJMJ-ZFWWWQNUSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356486374 380801575 /nfs/dbraw/zinc/80/15/75/380801575.db2.gz XPUKNRVSMSIJMJ-ZFWWWQNUSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2nccn2C(F)F)ccc1C#N ZINC000362968253 382168856 /nfs/dbraw/zinc/16/88/56/382168856.db2.gz XLLOUKVZFAHQMQ-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2nccn2C(F)F)ccc1C#N ZINC000362968253 382168862 /nfs/dbraw/zinc/16/88/62/382168862.db2.gz XLLOUKVZFAHQMQ-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)o1 ZINC000367164550 382336222 /nfs/dbraw/zinc/33/62/22/382336222.db2.gz PPMDTCVQNKEROJ-INIZCTEOSA-N 1 2 270.307 3.222 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)o1 ZINC000367164550 382336226 /nfs/dbraw/zinc/33/62/26/382336226.db2.gz PPMDTCVQNKEROJ-INIZCTEOSA-N 1 2 270.307 3.222 20 30 CGEDLO Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335512061 291933482 /nfs/dbraw/zinc/93/34/82/291933482.db2.gz PWVNPCIUZYMLAN-LLVKDONJSA-N 1 2 269.270 3.040 20 30 CGEDLO COc1ccc(C#N)cc1NCc1c[nH+]c2cccc(C)n12 ZINC000354856132 533273778 /nfs/dbraw/zinc/27/37/78/533273778.db2.gz DOEIDPHFUBUHRI-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO COCc1ccc(C[N@H+](CCC#N)CC(C)(C)C)o1 ZINC000093101096 392234304 /nfs/dbraw/zinc/23/43/04/392234304.db2.gz NYPFKHBXNGIIKH-UHFFFAOYSA-N 1 2 264.369 3.188 20 30 CGEDLO COCc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)o1 ZINC000093101096 392234305 /nfs/dbraw/zinc/23/43/05/392234305.db2.gz NYPFKHBXNGIIKH-UHFFFAOYSA-N 1 2 264.369 3.188 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093938865 392240759 /nfs/dbraw/zinc/24/07/59/392240759.db2.gz YKLGPXZNSQUKGB-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO N#Cc1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)nc1 ZINC000263756226 131323158 /nfs/dbraw/zinc/32/31/58/131323158.db2.gz FXJUSLOLRAFVJK-UHFFFAOYSA-N 1 2 279.347 3.446 20 30 CGEDLO CC(C)[C@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000366249447 392452398 /nfs/dbraw/zinc/45/23/98/392452398.db2.gz IWTRLASATCQJRQ-MOPGFXCFSA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)[C@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000366249447 392452403 /nfs/dbraw/zinc/45/24/03/392452403.db2.gz IWTRLASATCQJRQ-MOPGFXCFSA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)[C@@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000366249450 392452916 /nfs/dbraw/zinc/45/29/16/392452916.db2.gz IWTRLASATCQJRQ-RTBURBONSA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)[C@@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000366249450 392452924 /nfs/dbraw/zinc/45/29/24/392452924.db2.gz IWTRLASATCQJRQ-RTBURBONSA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000173545437 392627298 /nfs/dbraw/zinc/62/72/98/392627298.db2.gz NMNSNSTYSKERDF-INIZCTEOSA-N 1 2 278.371 3.121 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000173545437 392627302 /nfs/dbraw/zinc/62/73/02/392627302.db2.gz NMNSNSTYSKERDF-INIZCTEOSA-N 1 2 278.371 3.121 20 30 CGEDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(C#N)cc1 ZINC000520338306 392918987 /nfs/dbraw/zinc/91/89/87/392918987.db2.gz KNPXMXMULXZLTN-JTQLQIEISA-N 1 2 284.388 3.138 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000338354724 392912704 /nfs/dbraw/zinc/91/27/04/392912704.db2.gz VGJCUJDMBSXPHM-LBPRGKRZSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000338354724 392912706 /nfs/dbraw/zinc/91/27/06/392912706.db2.gz VGJCUJDMBSXPHM-LBPRGKRZSA-N 1 2 283.350 3.498 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000527618431 392956824 /nfs/dbraw/zinc/95/68/24/392956824.db2.gz JZNCJFWTYQLRJA-UHFFFAOYSA-N 1 2 298.415 3.091 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000527618431 392956829 /nfs/dbraw/zinc/95/68/29/392956829.db2.gz JZNCJFWTYQLRJA-UHFFFAOYSA-N 1 2 298.415 3.091 20 30 CGEDLO COCc1ccc(NCc2cc(OC)cc(C)[nH+]2)cc1C#N ZINC000527765392 392959725 /nfs/dbraw/zinc/95/97/25/392959725.db2.gz WRMWPJRVCYOKBT-UHFFFAOYSA-N 1 2 297.358 3.029 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000196656100 392975188 /nfs/dbraw/zinc/97/51/88/392975188.db2.gz BDDACYQSILNIGQ-SFHVURJKSA-N 1 2 280.371 3.136 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000196656100 392975192 /nfs/dbraw/zinc/97/51/92/392975192.db2.gz BDDACYQSILNIGQ-SFHVURJKSA-N 1 2 280.371 3.136 20 30 CGEDLO N#CCC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000411774251 392988471 /nfs/dbraw/zinc/98/84/71/392988471.db2.gz UWIWRZHMWWLOCE-UHFFFAOYSA-N 1 2 270.254 3.078 20 30 CGEDLO C=CCC[C@@H](CC)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348832603 393132630 /nfs/dbraw/zinc/13/26/30/393132630.db2.gz JNQLASOWHBOFGP-OAHLLOKOSA-N 1 2 270.380 3.483 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC(C)(C)C#N ZINC000258901452 393137978 /nfs/dbraw/zinc/13/79/78/393137978.db2.gz KUZVIZFGTGXXNN-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000258901452 393137982 /nfs/dbraw/zinc/13/79/82/393137982.db2.gz KUZVIZFGTGXXNN-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO N#Cc1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000267290393 393188071 /nfs/dbraw/zinc/18/80/71/393188071.db2.gz RHKVXQDNBCVYNN-GFCCVEGCSA-N 1 2 287.754 3.061 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2cccc(O)c2)CC2CC2)n1 ZINC000356196368 393378248 /nfs/dbraw/zinc/37/82/48/393378248.db2.gz RQWGQJNEHBZSLY-UHFFFAOYSA-N 1 2 299.399 3.133 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)n1 ZINC000356196368 393378253 /nfs/dbraw/zinc/37/82/53/393378253.db2.gz RQWGQJNEHBZSLY-UHFFFAOYSA-N 1 2 299.399 3.133 20 30 CGEDLO C=CCC[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000427011575 393452341 /nfs/dbraw/zinc/45/23/41/393452341.db2.gz HFGGQBSXESLQAP-HNNXBMFYSA-N 1 2 283.375 3.118 20 30 CGEDLO COc1cc(C)c(C[N@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000359245191 393541789 /nfs/dbraw/zinc/54/17/89/393541789.db2.gz ZEASORDMMQSMDH-UHFFFAOYSA-N 1 2 289.423 3.469 20 30 CGEDLO COc1cc(C)c(C[N@@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000359245191 393541793 /nfs/dbraw/zinc/54/17/93/393541793.db2.gz ZEASORDMMQSMDH-UHFFFAOYSA-N 1 2 289.423 3.469 20 30 CGEDLO C=C(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000360616263 393571531 /nfs/dbraw/zinc/57/15/31/393571531.db2.gz ALTJBCOZNANABP-CQSZACIVSA-N 1 2 262.303 3.475 20 30 CGEDLO C#C[C@@H](C)N(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491395270 393685927 /nfs/dbraw/zinc/68/59/27/393685927.db2.gz ROMCEJBZJQOYTE-CQSZACIVSA-N 1 2 294.354 3.276 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000491438727 393689294 /nfs/dbraw/zinc/68/92/94/393689294.db2.gz FYQBUMYZVWSDRB-CYBMUJFWSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000491438727 393689301 /nfs/dbraw/zinc/68/93/01/393689301.db2.gz FYQBUMYZVWSDRB-CYBMUJFWSA-N 1 2 254.333 3.104 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cncc1Br ZINC000667473868 542872950 /nfs/dbraw/zinc/87/29/50/542872950.db2.gz XMZQXYIYLWVTHE-UHFFFAOYSA-N 1 2 287.176 3.381 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(F)cncc1Br ZINC000667473868 542872953 /nfs/dbraw/zinc/87/29/53/542872953.db2.gz XMZQXYIYLWVTHE-UHFFFAOYSA-N 1 2 287.176 3.381 20 30 CGEDLO CC[C@H](C)C[C@H](C)/[NH+]=C\c1ccc(O)c(O)c1O ZINC000743043606 572635460 /nfs/dbraw/zinc/63/54/60/572635460.db2.gz XQWWADQOLIFGFA-MDWLTXIKSA-N 1 2 251.326 3.047 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000669675641 543116911 /nfs/dbraw/zinc/11/69/11/543116911.db2.gz WKJRYQHAFLZOPL-UHFFFAOYSA-N 1 2 283.375 3.421 20 30 CGEDLO COCC#CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000677477253 543450358 /nfs/dbraw/zinc/45/03/58/543450358.db2.gz WIECGEPQIXUTAB-AWEZNQCLSA-N 1 2 286.400 3.083 20 30 CGEDLO COCC#CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000677477253 543450360 /nfs/dbraw/zinc/45/03/60/543450360.db2.gz WIECGEPQIXUTAB-AWEZNQCLSA-N 1 2 286.400 3.083 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678891521 543569743 /nfs/dbraw/zinc/56/97/43/543569743.db2.gz SNNSJKXQEIYMDU-LBPRGKRZSA-N 1 2 272.352 3.201 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccccc1C#N)c1nccs1 ZINC000080280080 165153429 /nfs/dbraw/zinc/15/34/29/165153429.db2.gz BXWKSOYZBWDODE-ZDUSSCGKSA-N 1 2 257.362 3.256 20 30 CGEDLO C=CCOCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000679471358 543638382 /nfs/dbraw/zinc/63/83/82/543638382.db2.gz GMBIUQSRDBEYND-UHFFFAOYSA-N 1 2 263.385 3.338 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H](C)CCC#N)n1 ZINC000411317922 262688497 /nfs/dbraw/zinc/68/84/97/262688497.db2.gz CSILFXXGUPTRKL-WDEREUQCSA-N 1 2 282.413 3.008 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)CCC#N)n1 ZINC000411317922 262688498 /nfs/dbraw/zinc/68/84/98/262688498.db2.gz CSILFXXGUPTRKL-WDEREUQCSA-N 1 2 282.413 3.008 20 30 CGEDLO Cc1[nH+]cc(CN(C[C@H](C)C#N)C2CC2)n1-c1ccccc1 ZINC000354035317 226874800 /nfs/dbraw/zinc/87/48/00/226874800.db2.gz XIVVNPBNFNVLJJ-CQSZACIVSA-N 1 2 294.402 3.305 20 30 CGEDLO Cc1cccn2c(CNc3cc(C#N)ccc3C)c[nH+]c12 ZINC000354862756 227180893 /nfs/dbraw/zinc/18/08/93/227180893.db2.gz UKKCISYKKOHFOG-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccccc2Cl)nn1 ZINC000653572034 419053773 /nfs/dbraw/zinc/05/37/73/419053773.db2.gz KOJRFLFGEUKQKE-GFCCVEGCSA-N 1 2 290.798 3.358 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(C)c(C)c2)nn1 ZINC000653755275 419079968 /nfs/dbraw/zinc/07/99/68/419079968.db2.gz QRPAMJXMSLKXSY-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(C)c(C)c2)nn1 ZINC000653755275 419079970 /nfs/dbraw/zinc/07/99/70/419079970.db2.gz QRPAMJXMSLKXSY-UHFFFAOYSA-N 1 2 284.407 3.103 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(C(CC)CC)n1)[C@H](C)COC ZINC000661243053 419244474 /nfs/dbraw/zinc/24/44/74/419244474.db2.gz XEAGJMOWXAHTNU-CQSZACIVSA-N 1 2 279.428 3.267 20 30 CGEDLO C=CC[N@H+](Cc1ccn(C(CC)CC)n1)[C@H](C)COC ZINC000661243053 419244477 /nfs/dbraw/zinc/24/44/77/419244477.db2.gz XEAGJMOWXAHTNU-CQSZACIVSA-N 1 2 279.428 3.267 20 30 CGEDLO C=CC[N@H+](Cc1csc(-c2ccoc2)n1)[C@H](C)COC ZINC000661242500 419244738 /nfs/dbraw/zinc/24/47/38/419244738.db2.gz BLSINMCAENIGCY-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1csc(-c2ccoc2)n1)[C@H](C)COC ZINC000661242500 419244741 /nfs/dbraw/zinc/24/47/41/419244741.db2.gz BLSINMCAENIGCY-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000352078825 228180411 /nfs/dbraw/zinc/18/04/11/228180411.db2.gz CAAVBDQJCJOLEI-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000352078825 228180412 /nfs/dbraw/zinc/18/04/12/228180412.db2.gz CAAVBDQJCJOLEI-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000352090888 228181453 /nfs/dbraw/zinc/18/14/53/228181453.db2.gz DZDIKGXIKHXWMF-AWEZNQCLSA-N 1 2 296.418 3.140 20 30 CGEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000352090888 228181454 /nfs/dbraw/zinc/18/14/54/228181454.db2.gz DZDIKGXIKHXWMF-AWEZNQCLSA-N 1 2 296.418 3.140 20 30 CGEDLO N#Cc1csc(CNc2[nH+]cccc2OC(F)F)c1 ZINC000189269521 287568370 /nfs/dbraw/zinc/56/83/70/287568370.db2.gz GIVARCAAACUBKU-UHFFFAOYSA-N 1 2 281.287 3.228 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000297746693 260133633 /nfs/dbraw/zinc/13/36/33/260133633.db2.gz DJONHSSEFPNXEW-CQSZACIVSA-N 1 2 268.364 3.002 20 30 CGEDLO CCO[C@H](CC/[NH+]=C/c1cccc(OC)c1O)C(C)C ZINC000080619102 260317504 /nfs/dbraw/zinc/31/75/04/260317504.db2.gz SCPNLWVYQYHHSB-SWEABUAFSA-N 1 2 279.380 3.271 20 30 CGEDLO C=C(Br)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126096259 260345169 /nfs/dbraw/zinc/34/51/69/260345169.db2.gz OTFKCJJDHUCSCM-MRVPVSSYSA-N 1 2 261.188 3.011 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccccc1C(F)(F)F ZINC000161727276 261257913 /nfs/dbraw/zinc/25/79/13/261257913.db2.gz GEORDUZLAKETKJ-NSHDSACASA-N 1 2 286.297 3.318 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000161727276 261257915 /nfs/dbraw/zinc/25/79/15/261257915.db2.gz GEORDUZLAKETKJ-NSHDSACASA-N 1 2 286.297 3.318 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000161931996 261263598 /nfs/dbraw/zinc/26/35/98/261263598.db2.gz KJGJFQYNOLSYKM-SECBINFHSA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000161931996 261263600 /nfs/dbraw/zinc/26/36/00/261263600.db2.gz KJGJFQYNOLSYKM-SECBINFHSA-N 1 2 285.160 3.322 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000185730142 262068411 /nfs/dbraw/zinc/06/84/11/262068411.db2.gz MSXOOSFVEDGOOB-FRFSOERESA-N 1 2 286.375 3.349 20 30 CGEDLO CN1CCOc2ccc([NH2+][C@H]3CCC[C@H](C#N)C3)cc21 ZINC000193264078 262219050 /nfs/dbraw/zinc/21/90/50/262219050.db2.gz XXERXXAHNHMLLV-STQMWFEESA-N 1 2 271.364 3.009 20 30 CGEDLO C=CCCc1ccccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000337611756 262463186 /nfs/dbraw/zinc/46/31/86/262463186.db2.gz VODIEDBXSZKXPW-UHFFFAOYSA-N 1 2 298.390 3.214 20 30 CGEDLO CC(C)C[C@H]1C[C@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271939379 263000468 /nfs/dbraw/zinc/00/04/68/263000468.db2.gz OEHLVLZHAMOADC-QEIRAGPASA-N 1 2 277.364 3.110 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000273914422 263020314 /nfs/dbraw/zinc/02/03/14/263020314.db2.gz YGDCPBWLQFTKGW-LLVKDONJSA-N 1 2 276.771 3.009 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)no1 ZINC000278102715 263045410 /nfs/dbraw/zinc/04/54/10/263045410.db2.gz AEVNGNOJQLAOHI-KGLIPLIRSA-N 1 2 296.374 3.217 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000278653983 263049264 /nfs/dbraw/zinc/04/92/64/263049264.db2.gz PZSWIALCVKJBLH-WWGRRREGSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000278653983 263049265 /nfs/dbraw/zinc/04/92/65/263049265.db2.gz PZSWIALCVKJBLH-WWGRRREGSA-N 1 2 290.794 3.406 20 30 CGEDLO CC(C)n1nccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000279528462 263055859 /nfs/dbraw/zinc/05/58/59/263055859.db2.gz BSPCTIKCMSNVNW-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO CC(C)n1nccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000279528462 263055860 /nfs/dbraw/zinc/05/58/60/263055860.db2.gz BSPCTIKCMSNVNW-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO C=C(C[NH2+][C@@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000340206070 263093038 /nfs/dbraw/zinc/09/30/38/263093038.db2.gz LHSVOUBSTJERHA-HNNXBMFYSA-N 1 2 296.399 3.259 20 30 CGEDLO CCOc1ccc(/C=N/OCc2c[nH+]ccc2OC)cc1 ZINC000288591762 263105159 /nfs/dbraw/zinc/10/51/59/263105159.db2.gz LXKMLIIYVWQFCG-VCHYOVAHSA-N 1 2 286.331 3.040 20 30 CGEDLO COCc1cc(NCCCC#N)c2cc(F)ccc2[nH+]1 ZINC000290897717 263119048 /nfs/dbraw/zinc/11/90/48/263119048.db2.gz DQAKZCSMYROSRR-UHFFFAOYSA-N 1 2 273.311 3.236 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(OC(F)F)c1 ZINC000292897561 263136460 /nfs/dbraw/zinc/13/64/60/263136460.db2.gz ZOIUFGMNXQHJDA-UHFFFAOYSA-N 1 2 296.317 3.198 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(OC(F)F)c1 ZINC000292897561 263136461 /nfs/dbraw/zinc/13/64/61/263136461.db2.gz ZOIUFGMNXQHJDA-UHFFFAOYSA-N 1 2 296.317 3.198 20 30 CGEDLO C=CCCCN(C)c1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000119924905 263279449 /nfs/dbraw/zinc/27/94/49/263279449.db2.gz BQYUKKJHAGJRQR-UHFFFAOYSA-N 1 2 268.364 3.249 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000341990559 263382110 /nfs/dbraw/zinc/38/21/10/263382110.db2.gz CYQXVPZVTFDYIY-CYBMUJFWSA-N 1 2 276.355 3.113 20 30 CGEDLO CCc1nnc(C)cc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000330810805 264044103 /nfs/dbraw/zinc/04/41/03/264044103.db2.gz JQFCWLWCEXEKQE-UHFFFAOYSA-N 1 2 284.363 3.304 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000428094276 264365838 /nfs/dbraw/zinc/36/58/38/264365838.db2.gz GPNVSAIHNVJFKR-SMDDNHRTSA-N 1 2 281.783 3.498 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000280705517 264459238 /nfs/dbraw/zinc/45/92/38/264459238.db2.gz HFUAZEQLDLMQTO-LRDDRELGSA-N 1 2 269.348 3.023 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000293745293 264976617 /nfs/dbraw/zinc/97/66/17/264976617.db2.gz JPEVSNODTFFTSA-UHFFFAOYSA-N 1 2 285.391 3.063 20 30 CGEDLO CC[C@H]1C[C@@H](C[N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912817 266210184 /nfs/dbraw/zinc/21/01/84/266210184.db2.gz GKWVAWCCODCBKQ-RDJZCZTQSA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@H]1C[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912817 266210188 /nfs/dbraw/zinc/21/01/88/266210188.db2.gz GKWVAWCCODCBKQ-RDJZCZTQSA-N 1 2 287.407 3.002 20 30 CGEDLO C[C@H]1CCc2nc(C[NH+]3CCC(C)(C#N)CC3)sc2C1 ZINC000356931969 266212824 /nfs/dbraw/zinc/21/28/24/266212824.db2.gz IKIJCXBIWOVKQG-LBPRGKRZSA-N 1 2 289.448 3.394 20 30 CGEDLO C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C#N)CC1 ZINC000357646446 266340586 /nfs/dbraw/zinc/34/05/86/266340586.db2.gz GWOWNCDAFHSNSO-GFCCVEGCSA-N 1 2 282.347 3.033 20 30 CGEDLO C=C[C@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000362611449 267021683 /nfs/dbraw/zinc/02/16/83/267021683.db2.gz CVHLICOTOQRDIT-LBPRGKRZSA-N 1 2 268.316 3.178 20 30 CGEDLO C=CC[C@H](C)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000116873545 267185270 /nfs/dbraw/zinc/18/52/70/267185270.db2.gz UKAFIVZKEALXSB-NSHDSACASA-N 1 2 254.337 3.224 20 30 CGEDLO Cc1cc(N2CCC3(CCCC3)CC2)c(C#N)c[nH+]1 ZINC000399437277 267335901 /nfs/dbraw/zinc/33/59/01/267335901.db2.gz JUVOCWUPVMWVPB-UHFFFAOYSA-N 1 2 255.365 3.422 20 30 CGEDLO Cc1cc([C@H](C)Nc2cc(C)[nH+]cc2C#N)c(C)o1 ZINC000399415845 267364352 /nfs/dbraw/zinc/36/43/52/267364352.db2.gz XSZFAMOVACLVHD-NSHDSACASA-N 1 2 255.321 3.067 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000563367546 328059749 /nfs/dbraw/zinc/05/97/49/328059749.db2.gz POFVSBNPKVIDRD-OFQRWUPVSA-N 1 2 299.418 3.025 20 30 CGEDLO COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000571516687 328130896 /nfs/dbraw/zinc/13/08/96/328130896.db2.gz ZFJUMZDIGPAPIX-WFASDCNBSA-N 1 2 291.782 3.061 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ccc(C)nn1)c1ccc(F)c(F)c1 ZINC000414427633 328168121 /nfs/dbraw/zinc/16/81/21/328168121.db2.gz FPUFDMGLWPNDNF-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000267157754 328173618 /nfs/dbraw/zinc/17/36/18/328173618.db2.gz PFVRNVFWDJSHRF-SECBINFHSA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000267157754 328173619 /nfs/dbraw/zinc/17/36/19/328173619.db2.gz PFVRNVFWDJSHRF-SECBINFHSA-N 1 2 285.160 3.180 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000271133778 328194933 /nfs/dbraw/zinc/19/49/33/328194933.db2.gz QHRSFCPQGVRYMK-NSHDSACASA-N 1 2 268.307 3.188 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000271133778 328194934 /nfs/dbraw/zinc/19/49/34/328194934.db2.gz QHRSFCPQGVRYMK-NSHDSACASA-N 1 2 268.307 3.188 20 30 CGEDLO CC(C)(C)c1[nH]c2ccc(NC(=O)CCCC#N)cc2[nH+]1 ZINC000292506857 328270732 /nfs/dbraw/zinc/27/07/32/328270732.db2.gz GDPPOPRMPYDYPD-UHFFFAOYSA-N 1 2 284.363 3.493 20 30 CGEDLO C[N@H+](Cc1c(F)cccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000293276431 328274860 /nfs/dbraw/zinc/27/48/60/328274860.db2.gz CGPRQLFVTSNFSZ-QWRGUYRKSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1c(F)cccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000293276431 328274862 /nfs/dbraw/zinc/27/48/62/328274862.db2.gz CGPRQLFVTSNFSZ-QWRGUYRKSA-N 1 2 250.292 3.089 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000571049234 322288535 /nfs/dbraw/zinc/28/85/35/322288535.db2.gz GJEHRLVSAIJZSU-UHFFFAOYSA-N 1 2 297.314 3.008 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000571049234 322288536 /nfs/dbraw/zinc/28/85/36/322288536.db2.gz GJEHRLVSAIJZSU-UHFFFAOYSA-N 1 2 297.314 3.008 20 30 CGEDLO C=CC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000111258422 328340791 /nfs/dbraw/zinc/34/07/91/328340791.db2.gz MNWSDLYBWTVLRV-UHFFFAOYSA-N 1 2 278.783 3.177 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000047979757 327276400 /nfs/dbraw/zinc/27/64/00/327276400.db2.gz GYFWGWKNRCGQAC-SNVBAGLBSA-N 1 2 267.170 3.041 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000047979757 327276401 /nfs/dbraw/zinc/27/64/01/327276401.db2.gz GYFWGWKNRCGQAC-SNVBAGLBSA-N 1 2 267.170 3.041 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccnc2ccccc12)C(=O)OCC ZINC000569899045 327554387 /nfs/dbraw/zinc/55/43/87/327554387.db2.gz MSAUWHMLUACVAJ-QGZVFWFLSA-N 1 2 298.386 3.222 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)c(F)c1 ZINC000187373783 329356841 /nfs/dbraw/zinc/35/68/41/329356841.db2.gz MWUYOWKHDRDURX-AWEZNQCLSA-N 1 2 263.291 3.095 20 30 CGEDLO CCCCc1oc2ccccc2c1C[NH+]1CC(O)(CC#N)C1 ZINC000191918712 329422274 /nfs/dbraw/zinc/42/22/74/329422274.db2.gz HKCOYBWRBFAWTE-UHFFFAOYSA-N 1 2 298.386 3.236 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681075 330056780 /nfs/dbraw/zinc/05/67/80/330056780.db2.gz JSCLETWVTVOKFL-KFNAQCHYSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681075 330056781 /nfs/dbraw/zinc/05/67/81/330056781.db2.gz JSCLETWVTVOKFL-KFNAQCHYSA-N 1 2 292.329 3.030 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000532961668 330323334 /nfs/dbraw/zinc/32/33/34/330323334.db2.gz VZZJOEXLRISSHE-UHFFFAOYSA-N 1 2 280.371 3.430 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000428418216 330522758 /nfs/dbraw/zinc/52/27/58/330522758.db2.gz KHLZTZHBONMRKF-HOCLYGCPSA-N 1 2 275.392 3.462 20 30 CGEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451861455 331045111 /nfs/dbraw/zinc/04/51/11/331045111.db2.gz AIMXUMCEMVUCEQ-OAHLLOKOSA-N 1 2 253.349 3.113 20 30 CGEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451861455 331045112 /nfs/dbraw/zinc/04/51/12/331045112.db2.gz AIMXUMCEMVUCEQ-OAHLLOKOSA-N 1 2 253.349 3.113 20 30 CGEDLO C=C[C@@H](CC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456372527 331191559 /nfs/dbraw/zinc/19/15/59/331191559.db2.gz ZIAAIILRLRZICL-GJZGRUSLSA-N 1 2 297.402 3.440 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000488831738 332028069 /nfs/dbraw/zinc/02/80/69/332028069.db2.gz GZIRSLYMNIDGNB-AWEZNQCLSA-N 1 2 297.402 3.166 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000489451203 332053460 /nfs/dbraw/zinc/05/34/60/332053460.db2.gz SAOZQBXMCMJBBL-LBPRGKRZSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000489451203 332053461 /nfs/dbraw/zinc/05/34/61/332053461.db2.gz SAOZQBXMCMJBBL-LBPRGKRZSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000489459407 332053901 /nfs/dbraw/zinc/05/39/01/332053901.db2.gz FXCCFQNWPBQLDG-CYBMUJFWSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cncc(Br)c1 ZINC000489459407 332053902 /nfs/dbraw/zinc/05/39/02/332053902.db2.gz FXCCFQNWPBQLDG-CYBMUJFWSA-N 1 2 281.197 3.385 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)[C@H]1CCc2ccccc21 ZINC000490762734 332114039 /nfs/dbraw/zinc/11/40/39/332114039.db2.gz LBEKHDIDDOWWBM-KRWDZBQOSA-N 1 2 280.371 3.414 20 30 CGEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)[C@H]1CCc2ccccc21 ZINC000490762734 332114040 /nfs/dbraw/zinc/11/40/40/332114040.db2.gz LBEKHDIDDOWWBM-KRWDZBQOSA-N 1 2 280.371 3.414 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(Cl)cc1 ZINC000491688847 332286444 /nfs/dbraw/zinc/28/64/44/332286444.db2.gz FDFSQYFZTCIJHK-OAHLLOKOSA-N 1 2 273.767 3.021 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(CC)s1)c1ccc(F)cc1 ZINC000491699954 332294540 /nfs/dbraw/zinc/29/45/40/332294540.db2.gz FSFPRFGYXVVRSW-AWEZNQCLSA-N 1 2 274.364 3.309 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncs1)c1ccc(Cl)cc1 ZINC000491701842 332296173 /nfs/dbraw/zinc/29/61/73/332296173.db2.gz HYBWTEDQHDTUAF-CYBMUJFWSA-N 1 2 262.765 3.261 20 30 CGEDLO C=CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000336847621 335121165 /nfs/dbraw/zinc/12/11/65/335121165.db2.gz XFSNSOJHXGIPJA-UHFFFAOYSA-N 1 2 279.347 3.194 20 30 CGEDLO C=C(C)CN(CC)C(=O)COc1cc(C)[nH+]c2ccccc21 ZINC000192192446 333232198 /nfs/dbraw/zinc/23/21/98/333232198.db2.gz IPRMLIOWKOTDMV-UHFFFAOYSA-N 1 2 298.386 3.347 20 30 CGEDLO C=CCOc1ccccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000192779271 333239265 /nfs/dbraw/zinc/23/92/65/333239265.db2.gz LNAOBTGPZJBAPE-UHFFFAOYSA-N 1 2 268.316 3.207 20 30 CGEDLO Cc1cccn2c(CN3CCCC(C)(C)[C@@H]3C#N)c[nH+]c12 ZINC000576144610 335160176 /nfs/dbraw/zinc/16/01/76/335160176.db2.gz WXLRBZPBPVCLPS-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545220224 333970594 /nfs/dbraw/zinc/97/05/94/333970594.db2.gz JYNRTNPTPAVMIN-UHFFFAOYSA-N 1 2 297.406 3.328 20 30 CGEDLO CC#CCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551709322 334258623 /nfs/dbraw/zinc/25/86/23/334258623.db2.gz HTKZBLGHDNCRKR-HNNXBMFYSA-N 1 2 267.294 3.249 20 30 CGEDLO CC#CCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551709322 334258624 /nfs/dbraw/zinc/25/86/24/334258624.db2.gz HTKZBLGHDNCRKR-HNNXBMFYSA-N 1 2 267.294 3.249 20 30 CGEDLO COc1nc2ccccc2cc1C[N@H+](C)CC(C)(C)C#N ZINC000552085128 334287307 /nfs/dbraw/zinc/28/73/07/334287307.db2.gz QSKNBZZDHHXJNX-UHFFFAOYSA-N 1 2 283.375 3.225 20 30 CGEDLO COc1nc2ccccc2cc1C[N@@H+](C)CC(C)(C)C#N ZINC000552085128 334287309 /nfs/dbraw/zinc/28/73/09/334287309.db2.gz QSKNBZZDHHXJNX-UHFFFAOYSA-N 1 2 283.375 3.225 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000565169365 334542085 /nfs/dbraw/zinc/54/20/85/334542085.db2.gz AIWURDRXZHQBBV-QGZVFWFLSA-N 1 2 295.386 3.442 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCCC2)nc1 ZINC000580657370 335314104 /nfs/dbraw/zinc/31/41/04/335314104.db2.gz NFXLMGOYENCPJD-UHFFFAOYSA-N 1 2 265.307 3.011 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)nc1 ZINC000577505927 335361465 /nfs/dbraw/zinc/36/14/65/335361465.db2.gz NIOFBFWYEIJMPM-QGZVFWFLSA-N 1 2 299.324 3.163 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)nc1 ZINC000577505927 335361467 /nfs/dbraw/zinc/36/14/67/335361467.db2.gz NIOFBFWYEIJMPM-QGZVFWFLSA-N 1 2 299.324 3.163 20 30 CGEDLO Cc1ccc(CCNc2nc3c(cc2C#N)CCCC3)[nH+]c1 ZINC000413349950 533808667 /nfs/dbraw/zinc/80/86/67/533808667.db2.gz ICZLINUCSAPUMC-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)cc1C#N ZINC000049237432 524795510 /nfs/dbraw/zinc/79/55/10/524795510.db2.gz ABRQHYJCFWFJDN-SNVBAGLBSA-N 1 2 294.280 3.274 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000194820448 526896645 /nfs/dbraw/zinc/89/66/45/526896645.db2.gz DNHIXHCPJAECFP-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000194820448 526896653 /nfs/dbraw/zinc/89/66/53/526896653.db2.gz DNHIXHCPJAECFP-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=C1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000355935231 526906543 /nfs/dbraw/zinc/90/65/43/526906543.db2.gz QWXLPLQXXSUSCD-LLVKDONJSA-N 1 2 252.383 3.003 20 30 CGEDLO CC(C)(CCC#N)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353143122 527001837 /nfs/dbraw/zinc/00/18/37/527001837.db2.gz SZBBAODQGUYQSN-UHFFFAOYSA-N 1 2 283.379 3.068 20 30 CGEDLO CC(C)[N@H+](Cc1ccco1)Cc1nc(C#N)cs1 ZINC000356069872 528959541 /nfs/dbraw/zinc/95/95/41/528959541.db2.gz WMROIXQKMFPGPT-UHFFFAOYSA-N 1 2 261.350 3.018 20 30 CGEDLO CC(C)[N@@H+](Cc1ccco1)Cc1nc(C#N)cs1 ZINC000356069872 528959543 /nfs/dbraw/zinc/95/95/43/528959543.db2.gz WMROIXQKMFPGPT-UHFFFAOYSA-N 1 2 261.350 3.018 20 30 CGEDLO O=C(/C=C/c1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000728694871 571815267 /nfs/dbraw/zinc/81/52/67/571815267.db2.gz LMEYTUAEDAKJAF-VOTSOKGWSA-N 1 2 280.249 3.342 20 30 CGEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731156625 572398335 /nfs/dbraw/zinc/39/83/35/572398335.db2.gz ISHCRYAGKZPBDV-AATRIKPKSA-N 1 2 275.377 3.368 20 30 CGEDLO CC1(C)[C@H](/[NH+]=C\c2ccccc2O)[C@@H]2CCCO[C@H]21 ZINC000741463346 572412456 /nfs/dbraw/zinc/41/24/56/572412456.db2.gz DIALJEPWRDFLRU-RRXYULTRSA-N 1 2 259.349 3.015 20 30 CGEDLO Oc1cccc(/C=[NH+]\C[C@@H]2CCc3ccccc3C2)c1O ZINC000735228971 572707142 /nfs/dbraw/zinc/70/71/42/572707142.db2.gz MPPAGHAMUUEZHA-CQLSMYGBSA-N 1 2 281.355 3.322 20 30 CGEDLO COc1ccccc1C1(C/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000749453435 573006186 /nfs/dbraw/zinc/00/61/86/573006186.db2.gz TUCGMNQGHNUNEK-YBFXNURJSA-N 1 2 297.354 3.257 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC000957801389 613716304 /nfs/dbraw/zinc/71/63/04/613716304.db2.gz ORHIGZLNHBMJHM-OAHLLOKOSA-N 1 2 286.419 3.144 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)o1 ZINC000255381098 618244775 /nfs/dbraw/zinc/24/47/75/618244775.db2.gz VNVQMRSBMQSMLJ-WAYWQWQTSA-N 1 2 266.300 3.440 20 30 CGEDLO C[N@H+](Cc1cnc(C2CC2)o1)Cc1cc(C#N)cs1 ZINC000933769851 618321336 /nfs/dbraw/zinc/32/13/36/618321336.db2.gz GPEJLQMDDBLQAQ-UHFFFAOYSA-N 1 2 273.361 3.117 20 30 CGEDLO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1cc(C#N)cs1 ZINC000933769851 618321343 /nfs/dbraw/zinc/32/13/43/618321343.db2.gz GPEJLQMDDBLQAQ-UHFFFAOYSA-N 1 2 273.361 3.117 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000308717461 618354009 /nfs/dbraw/zinc/35/40/09/618354009.db2.gz BULPOFIWQQLRQK-UHFFFAOYSA-N 1 2 251.544 3.231 20 30 CGEDLO N#Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000892160446 618565730 /nfs/dbraw/zinc/56/57/30/618565730.db2.gz YGKWAJUGXOWDKU-UHFFFAOYSA-N 1 2 286.766 3.250 20 30 CGEDLO Oc1ccccc1/C=N\Cc1ccccc1-n1cc[nH+]c1 ZINC000255634673 618769078 /nfs/dbraw/zinc/76/90/78/618769078.db2.gz PJFKYNKKISFVMK-UNOMPAQXSA-N 1 2 277.327 3.197 20 30 CGEDLO Cn1cc(CCC/[NH+]=C\c2c(O)ccc3ccccc32)cn1 ZINC000255753638 618784873 /nfs/dbraw/zinc/78/48/73/618784873.db2.gz GFEXVQQWUTWHPT-UNOMPAQXSA-N 1 2 293.370 3.331 20 30 CGEDLO CC(C)n1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)cn1 ZINC000255777584 618791900 /nfs/dbraw/zinc/79/19/00/618791900.db2.gz UMVHEAJOZRPEEI-SREVYHEPSA-N 1 2 280.331 3.008 20 30 CGEDLO O=C1c2ccccc2OCC/C1=C/c1cccc2[nH+]ccn21 ZINC000255846522 618799371 /nfs/dbraw/zinc/79/93/71/618799371.db2.gz ONTUTGHRQVKTTR-SEYXRHQNSA-N 1 2 290.322 3.383 20 30 CGEDLO CC[C@@H](Nc1cc(COC)cc[nH+]1)c1cccc(C#N)c1O ZINC000926664459 618810446 /nfs/dbraw/zinc/81/04/46/618810446.db2.gz ZMIWXMQQFNGQIT-OAHLLOKOSA-N 1 2 297.358 3.368 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccoc1)c1cccc(C#N)c1O ZINC000926704542 618831621 /nfs/dbraw/zinc/83/16/21/618831621.db2.gz ZJKKROMTROUOCM-HNNXBMFYSA-N 1 2 270.332 3.140 20 30 CGEDLO Cc1ccc(O)c(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162271164 618831625 /nfs/dbraw/zinc/83/16/25/618831625.db2.gz WMQUPYGXDFKNSV-UHFFFAOYSA-N 1 2 297.358 3.390 20 30 CGEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000931477569 619181939 /nfs/dbraw/zinc/18/19/39/619181939.db2.gz YQQIBVWHKJOBHR-UKRRQHHQSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000931477569 619181940 /nfs/dbraw/zinc/18/19/40/619181940.db2.gz YQQIBVWHKJOBHR-UKRRQHHQSA-N 1 2 273.767 3.336 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1csc(C#N)c1)C2 ZINC000893497481 619194256 /nfs/dbraw/zinc/19/42/56/619194256.db2.gz DWHIZYPEIWRUJH-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1csc(C#N)c1)C2 ZINC000893497481 619194259 /nfs/dbraw/zinc/19/42/59/619194259.db2.gz DWHIZYPEIWRUJH-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO CC[N@H+](Cc1ccccc1OCC(F)F)C[C@H](C)C#N ZINC000893994523 619345688 /nfs/dbraw/zinc/34/56/88/619345688.db2.gz HLBYSJBNPGCLOQ-GFCCVEGCSA-N 1 2 282.334 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OCC(F)F)C[C@H](C)C#N ZINC000893994523 619345683 /nfs/dbraw/zinc/34/56/83/619345683.db2.gz HLBYSJBNPGCLOQ-GFCCVEGCSA-N 1 2 282.334 3.312 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)c(F)c1)c1ccc(N)nc1 ZINC000814862400 619427131 /nfs/dbraw/zinc/42/71/31/619427131.db2.gz LZKXBJGIIDOURY-UHFFFAOYSA-N 1 2 278.718 3.292 20 30 CGEDLO C=CCOCCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000894556876 619571590 /nfs/dbraw/zinc/57/15/90/619571590.db2.gz NBNYOAYLTZFBQC-UHFFFAOYSA-N 1 2 261.369 3.057 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cn(CC)nc1C)c1ccc(Cl)cc1 ZINC000894554178 619574487 /nfs/dbraw/zinc/57/44/87/619574487.db2.gz YZXZUSUJPPILRR-INIZCTEOSA-N 1 2 287.794 3.329 20 30 CGEDLO COc1nccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1F ZINC000895017438 619696396 /nfs/dbraw/zinc/69/63/96/619696396.db2.gz FJINHCOSFWCIGB-LBPRGKRZSA-N 1 2 299.349 3.294 20 30 CGEDLO COc1nccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1F ZINC000895017438 619696397 /nfs/dbraw/zinc/69/63/97/619696397.db2.gz FJINHCOSFWCIGB-LBPRGKRZSA-N 1 2 299.349 3.294 20 30 CGEDLO Cc1cccc(C[NH+]2CC(CC#N)C2)c1Br ZINC000895345148 619809104 /nfs/dbraw/zinc/80/91/04/619809104.db2.gz YMCONXDXGVNGHY-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000896501704 620017603 /nfs/dbraw/zinc/01/76/03/620017603.db2.gz HOMDRNLUVJCFFL-MRXNPFEDSA-N 1 2 277.371 3.484 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000896501704 620017607 /nfs/dbraw/zinc/01/76/07/620017607.db2.gz HOMDRNLUVJCFFL-MRXNPFEDSA-N 1 2 277.371 3.484 20 30 CGEDLO N#Cc1ccc(C2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000896865595 620079923 /nfs/dbraw/zinc/07/99/23/620079923.db2.gz XZFGATJNDAYTAT-UHFFFAOYSA-N 1 2 281.334 3.476 20 30 CGEDLO C=C1CC(C)(c2noc([C@H](c3ccccc3)[NH+](C)C)n2)C1 ZINC000896919247 620100701 /nfs/dbraw/zinc/10/07/01/620100701.db2.gz LFBYRAXNIZFSBD-AWEZNQCLSA-N 1 2 283.375 3.328 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000796565709 620105536 /nfs/dbraw/zinc/10/55/36/620105536.db2.gz JRMXTUVRSRVYQS-ZDUSSCGKSA-N 1 2 281.783 3.291 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000796565709 620105539 /nfs/dbraw/zinc/10/55/39/620105539.db2.gz JRMXTUVRSRVYQS-ZDUSSCGKSA-N 1 2 281.783 3.291 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989453957 620481040 /nfs/dbraw/zinc/48/10/40/620481040.db2.gz CWTYBTQVXKALGT-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989453957 620481041 /nfs/dbraw/zinc/48/10/41/620481041.db2.gz CWTYBTQVXKALGT-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C#CCCCCNc1nc(C)[nH+]c(C)c1Br ZINC000323139979 620532930 /nfs/dbraw/zinc/53/29/30/620532930.db2.gz CZUCGYSMTFFPAR-UHFFFAOYSA-N 1 2 282.185 3.071 20 30 CGEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc(C(F)F)cc1 ZINC000185797515 625443734 /nfs/dbraw/zinc/44/37/34/625443734.db2.gz BCQNCFYXUDMUMN-UHFFFAOYSA-N 1 2 291.301 3.051 20 30 CGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc2c(c1)CCCC2 ZINC000901440481 620888327 /nfs/dbraw/zinc/88/83/27/620888327.db2.gz VJUAPDZADGZQJU-HJWRWDBZSA-N 1 2 266.344 3.195 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\Cc2ccc(C)cc2C1=O ZINC000901474023 620890392 /nfs/dbraw/zinc/89/03/92/620890392.db2.gz SAEDLLZPZWOAOM-MDWZMJQESA-N 1 2 252.317 3.034 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\COc2c(C)cc(C)cc2C1=O ZINC000901463364 620894658 /nfs/dbraw/zinc/89/46/58/620894658.db2.gz RKFWJDWPJPUVMK-NTUHNPAUSA-N 1 2 282.343 3.179 20 30 CGEDLO COc1cc(C)cc2c1OC/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901465127 620895485 /nfs/dbraw/zinc/89/54/85/620895485.db2.gz QZSCWHVRLBINKW-GHXNOFRVSA-N 1 2 298.342 3.002 20 30 CGEDLO Cc1[nH]c(/C=C2/CCc3sccc3C2=O)[nH+]c1C ZINC000901467043 620895720 /nfs/dbraw/zinc/89/57/20/620895720.db2.gz FGAFAQNEGUNKMW-YFHOEESVSA-N 1 2 258.346 3.301 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCOc2cc(F)ccc2C1=O ZINC000901488637 620898212 /nfs/dbraw/zinc/89/82/12/620898212.db2.gz DRVDHLMIIYGMKO-XFFZJAGNSA-N 1 2 286.306 3.091 20 30 CGEDLO COc1cccc2c1CC/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901505210 620903916 /nfs/dbraw/zinc/90/39/16/620903916.db2.gz UBSMAGIYTXDRNN-XFXZXTDPSA-N 1 2 282.343 3.248 20 30 CGEDLO C=CC1(Cc2nc(Cc3c[nH+]cn3C)no2)CCCCC1 ZINC000904033718 621856445 /nfs/dbraw/zinc/85/64/45/621856445.db2.gz NEPORSFSFKBXMC-UHFFFAOYSA-N 1 2 286.379 3.073 20 30 CGEDLO NC(=[NH+]OCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000029465332 622736712 /nfs/dbraw/zinc/73/67/12/622736712.db2.gz LIPJDZSVQJGTGJ-UHFFFAOYSA-N 1 2 290.750 3.056 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000164245569 622821960 /nfs/dbraw/zinc/82/19/60/622821960.db2.gz DSKXMPQCSQPLTB-UHFFFAOYSA-N 1 2 261.108 3.090 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2Cl)c(F)c1 ZINC000171481632 623163932 /nfs/dbraw/zinc/16/39/32/623163932.db2.gz LSVXAKVWRMRBFB-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983300 623769412 /nfs/dbraw/zinc/76/94/12/623769412.db2.gz OJPSFJNCEBGEBM-ZFWWWQNUSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983300 623769426 /nfs/dbraw/zinc/76/94/26/623769426.db2.gz OJPSFJNCEBGEBM-ZFWWWQNUSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Br)C[NH2+][C@H](CC)c1nccs1 ZINC000070732895 625031672 /nfs/dbraw/zinc/03/16/72/625031672.db2.gz SVZCJDUQBUPKSG-MRVPVSSYSA-N 1 2 261.188 3.092 20 30 CGEDLO Cc1cccc(CO[NH+]=C(N)Cc2ccccc2)c1 ZINC000072001862 625215867 /nfs/dbraw/zinc/21/58/67/625215867.db2.gz CKGFKKLQFDHOMJ-UHFFFAOYSA-N 1 2 254.333 3.027 20 30 CGEDLO C#CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000838800085 626250675 /nfs/dbraw/zinc/25/06/75/626250675.db2.gz ODPYCCWPXZMYIN-UHFFFAOYSA-N 1 2 297.358 3.234 20 30 CGEDLO C#CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000838800085 626250677 /nfs/dbraw/zinc/25/06/77/626250677.db2.gz ODPYCCWPXZMYIN-UHFFFAOYSA-N 1 2 297.358 3.234 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)C(=O)OC ZINC000839170207 626324390 /nfs/dbraw/zinc/32/43/90/626324390.db2.gz YYFVPDVLNQXLCU-KSZLIROESA-N 1 2 299.414 3.257 20 30 CGEDLO CN1CCc2cc(C=[NH+]Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000752718814 626435944 /nfs/dbraw/zinc/43/59/44/626435944.db2.gz POZBASMMKJCPGG-UHFFFAOYSA-N 1 2 296.330 3.033 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C\c2c[nH+]c3ccccn23)co1 ZINC000752887213 626441528 /nfs/dbraw/zinc/44/15/28/626441528.db2.gz KBCLCCOOCKZNIW-SREVYHEPSA-N 1 2 281.315 3.342 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000753786535 626465701 /nfs/dbraw/zinc/46/57/01/626465701.db2.gz RKWVSNLXOLYMMN-UHFFFAOYSA-N 1 2 272.161 3.475 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1ccc(F)cc1C ZINC000753786535 626465702 /nfs/dbraw/zinc/46/57/02/626465702.db2.gz RKWVSNLXOLYMMN-UHFFFAOYSA-N 1 2 272.161 3.475 20 30 CGEDLO CCC(CC)(CC)C/[NH+]=C\c1ccc(O)c(O)c1O ZINC000759115766 626874961 /nfs/dbraw/zinc/87/49/61/626874961.db2.gz HUMUZUSTEIQXAB-SXGWCWSVSA-N 1 2 265.353 3.439 20 30 CGEDLO C=CCCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000805218029 627012513 /nfs/dbraw/zinc/01/25/13/627012513.db2.gz PUCNHPKVAKGRFD-UHFFFAOYSA-N 1 2 299.418 3.438 20 30 CGEDLO C=CCCCCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000805221823 627031757 /nfs/dbraw/zinc/03/17/57/627031757.db2.gz VLBUYOUJAUPMEH-UHFFFAOYSA-N 1 2 298.390 3.134 20 30 CGEDLO CN(C)c1nc(Cl)c(C=[NH+]Nc2ccccc2)s1 ZINC000767016060 627376809 /nfs/dbraw/zinc/37/68/09/627376809.db2.gz KDGQEYBBIMNLBZ-UHFFFAOYSA-N 1 2 280.784 3.309 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cnc3ccccc3c2)c1 ZINC000767292993 627396899 /nfs/dbraw/zinc/39/68/99/627396899.db2.gz ZRHXASDISAXBLD-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000767691117 627429360 /nfs/dbraw/zinc/42/93/60/627429360.db2.gz RZAYSOUTLGNIDW-WCSPWLFDSA-N 1 2 263.340 3.397 20 30 CGEDLO COc1ccsc1C[N@H+](CCC#N)CC(C)C ZINC000768155341 627464170 /nfs/dbraw/zinc/46/41/70/627464170.db2.gz ZKJKJLPILOVVDG-UHFFFAOYSA-N 1 2 252.383 3.128 20 30 CGEDLO COc1ccsc1C[N@@H+](CCC#N)CC(C)C ZINC000768155341 627464172 /nfs/dbraw/zinc/46/41/72/627464172.db2.gz ZKJKJLPILOVVDG-UHFFFAOYSA-N 1 2 252.383 3.128 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)ccc1O ZINC000769608532 627569439 /nfs/dbraw/zinc/56/94/39/627569439.db2.gz CTIRDEATVAWDIU-SOFGYWHQSA-N 1 2 278.311 3.244 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000775402908 628091702 /nfs/dbraw/zinc/09/17/02/628091702.db2.gz DBKGXPDIIPJJER-AWEZNQCLSA-N 1 2 293.326 3.184 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000775402909 628092008 /nfs/dbraw/zinc/09/20/08/628092008.db2.gz DBKGXPDIIPJJER-CQSZACIVSA-N 1 2 293.326 3.184 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC2([C@H](C)CCO)CCC2)c1 ZINC000775629407 628115735 /nfs/dbraw/zinc/11/57/35/628115735.db2.gz HBGYATVINVMBOT-NCUBORBFSA-N 1 2 291.391 3.009 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2([C@@H](O)C(C)C)CC2)c(O)c1 ZINC000775632272 628116805 /nfs/dbraw/zinc/11/68/05/628116805.db2.gz XLDDBIGNPIHSQL-HKJBKDEOSA-N 1 2 291.391 3.007 20 30 CGEDLO COC(=O)c1ccccc1N[NH+]=Cc1c(C)cc(N)cc1C ZINC000776189440 628178184 /nfs/dbraw/zinc/17/81/84/628178184.db2.gz JOAPWPSXDPGNEB-UHFFFAOYSA-N 1 2 297.358 3.118 20 30 CGEDLO FC(F)(F)CCON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000777459020 628273431 /nfs/dbraw/zinc/27/34/31/628273431.db2.gz FSJNXRIRAQVDSI-UHFFFAOYSA-N 1 2 289.282 3.237 20 30 CGEDLO C=CCC[C@@H](C(=O)OCc1c[nH+]cn1C)c1ccccc1 ZINC000778656744 628363861 /nfs/dbraw/zinc/36/38/61/628363861.db2.gz CCSGJZGCJRRBHF-MRXNPFEDSA-N 1 2 284.359 3.213 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000780474596 628492235 /nfs/dbraw/zinc/49/22/35/628492235.db2.gz YGLPODUOEMXGNF-HUUCEWRRSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C[C@H](CC)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000780474596 628492238 /nfs/dbraw/zinc/49/22/38/628492238.db2.gz YGLPODUOEMXGNF-HUUCEWRRSA-N 1 2 261.365 3.187 20 30 CGEDLO CC(C)c1[nH+]c(C=NNc2ccnc(F)c2)c2ccccn21 ZINC000781130601 628539650 /nfs/dbraw/zinc/53/96/50/628539650.db2.gz ZHVOJQHTRDVNHC-UHFFFAOYSA-N 1 2 297.337 3.438 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC[C@H]1CCOC1 ZINC000783686374 628739306 /nfs/dbraw/zinc/73/93/06/628739306.db2.gz ZSIRIAWAQGDPQB-FHXOWUIVSA-N 1 2 269.344 3.391 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000787997685 629038608 /nfs/dbraw/zinc/03/86/08/629038608.db2.gz PTLHLWOXYZHKJK-UHFFFAOYSA-N 1 2 293.414 3.205 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000787997685 629038610 /nfs/dbraw/zinc/03/86/10/629038610.db2.gz PTLHLWOXYZHKJK-UHFFFAOYSA-N 1 2 293.414 3.205 20 30 CGEDLO Oc1ccc(Cl)cc1/C=N\Cc1c[nH+]c2n1CCCC2 ZINC000790573059 629218898 /nfs/dbraw/zinc/21/88/98/629218898.db2.gz BZDSBDJLRIOAGC-IUXPMGMMSA-N 1 2 289.766 3.198 20 30 CGEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H]1CCc2ccccc21 ZINC000862210968 629322558 /nfs/dbraw/zinc/32/25/58/629322558.db2.gz BAFAFLVEEXAHNH-KRWDZBQOSA-N 1 2 279.387 3.149 20 30 CGEDLO C#CC[N@@H+](C)CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000792304964 629355342 /nfs/dbraw/zinc/35/53/42/629355342.db2.gz AEPQSCFPZPSEPB-UHFFFAOYSA-N 1 2 290.451 3.045 20 30 CGEDLO C#CC[N@H+](C)CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000792304964 629355346 /nfs/dbraw/zinc/35/53/46/629355346.db2.gz AEPQSCFPZPSEPB-UHFFFAOYSA-N 1 2 290.451 3.045 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)o1 ZINC000794696570 629567929 /nfs/dbraw/zinc/56/79/29/629567929.db2.gz HCLGEGSLORYTQS-FNORWQNLSA-N 1 2 276.361 3.002 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000796631801 629807524 /nfs/dbraw/zinc/80/75/24/629807524.db2.gz IJUCKDGOSFNUAW-UHFFFAOYSA-N 1 2 260.340 3.194 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000796631801 629807528 /nfs/dbraw/zinc/80/75/28/629807528.db2.gz IJUCKDGOSFNUAW-UHFFFAOYSA-N 1 2 260.340 3.194 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1C(=O)OC ZINC000796638772 629809215 /nfs/dbraw/zinc/80/92/15/629809215.db2.gz GHUBBQGFZNUGPJ-UHFFFAOYSA-N 1 2 293.366 3.109 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1C(=O)OC ZINC000796638772 629809219 /nfs/dbraw/zinc/80/92/19/629809219.db2.gz GHUBBQGFZNUGPJ-UHFFFAOYSA-N 1 2 293.366 3.109 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCCS2)c1 ZINC000864347312 629816160 /nfs/dbraw/zinc/81/61/60/629816160.db2.gz OSAOWEIDMCCXCP-OJNRTJSBSA-N 1 2 265.378 3.105 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCC12CCOCC2 ZINC000864349400 629817977 /nfs/dbraw/zinc/81/79/77/629817977.db2.gz WYBGFKPJQHQZRK-SWEABUAFSA-N 1 2 259.349 3.018 20 30 CGEDLO Cc1ccc2c(N[NH2+][C@@H]3CCOC(C)(C)C3)csc2c1 ZINC000797786187 629982215 /nfs/dbraw/zinc/98/22/15/629982215.db2.gz KGGWXVSQHTWLMV-GFCCVEGCSA-N 1 2 290.432 3.352 20 30 CGEDLO C#CCOCCNc1cc[nH+]c2c(OCCC)cccc12 ZINC000798398485 630053532 /nfs/dbraw/zinc/05/35/32/630053532.db2.gz QXWHPKXSBISZCO-UHFFFAOYSA-N 1 2 284.359 3.085 20 30 CGEDLO CC(C)(C)c1cn(Cc2c(C#N)cccc2[N+](=O)[O-])c[nH+]1 ZINC000865376317 630086716 /nfs/dbraw/zinc/08/67/16/630086716.db2.gz IYEZUPAFMTWWRT-UHFFFAOYSA-N 1 2 284.319 3.009 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1 ZINC000865509870 630159931 /nfs/dbraw/zinc/15/99/31/630159931.db2.gz UVWAPKNWAMSKBF-QGZVFWFLSA-N 1 2 280.375 3.353 20 30 CGEDLO C[C@H](C#N)OCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000801926198 630367882 /nfs/dbraw/zinc/36/78/82/630367882.db2.gz OVUFPGWEXLQJNE-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@H](C#N)OCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000801926198 630367889 /nfs/dbraw/zinc/36/78/89/630367889.db2.gz OVUFPGWEXLQJNE-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C1CC1 ZINC000840040410 630520941 /nfs/dbraw/zinc/52/09/41/630520941.db2.gz CSAYVXOZFPEWSO-QGZVFWFLSA-N 1 2 296.414 3.348 20 30 CGEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C1CC1 ZINC000840040410 630520945 /nfs/dbraw/zinc/52/09/45/630520945.db2.gz CSAYVXOZFPEWSO-QGZVFWFLSA-N 1 2 296.414 3.348 20 30 CGEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000840047424 630532343 /nfs/dbraw/zinc/53/23/43/630532343.db2.gz KLZCUFPZKUMCQO-MRXNPFEDSA-N 1 2 284.403 3.206 20 30 CGEDLO C=CC[N@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000840047424 630532345 /nfs/dbraw/zinc/53/23/45/630532345.db2.gz KLZCUFPZKUMCQO-MRXNPFEDSA-N 1 2 284.403 3.206 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840060834 630560621 /nfs/dbraw/zinc/56/06/21/630560621.db2.gz HDVBVWTVQUXUFP-SJORKVTESA-N 1 2 284.403 3.033 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000840060834 630560624 /nfs/dbraw/zinc/56/06/24/630560624.db2.gz HDVBVWTVQUXUFP-SJORKVTESA-N 1 2 284.403 3.033 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000806542605 630565339 /nfs/dbraw/zinc/56/53/39/630565339.db2.gz UUDYIXWWNGYTMN-CQSZACIVSA-N 1 2 279.428 3.075 20 30 CGEDLO CCCCCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808776769 630677190 /nfs/dbraw/zinc/67/71/90/630677190.db2.gz YVKNKFFFLAAEGB-AWEZNQCLSA-N 1 2 294.443 3.440 20 30 CGEDLO CCCCCCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808776769 630677193 /nfs/dbraw/zinc/67/71/93/630677193.db2.gz YVKNKFFFLAAEGB-AWEZNQCLSA-N 1 2 294.443 3.440 20 30 CGEDLO Clc1cnc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000814841097 631652983 /nfs/dbraw/zinc/65/29/83/631652983.db2.gz ANRBWIBOOAAWLW-UHFFFAOYSA-N 1 2 288.763 3.213 20 30 CGEDLO Cn1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)c1Cl ZINC000815132113 631726410 /nfs/dbraw/zinc/72/64/10/631726410.db2.gz UTGAFKRWCKDQKT-CQSZACIVSA-N 1 2 288.782 3.208 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1OC ZINC000820599205 632652377 /nfs/dbraw/zinc/65/23/77/632652377.db2.gz PYXVEVWXVDNHHL-UHFFFAOYSA-N 1 2 296.370 3.495 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2cc(NCc3ccccc3)nc[nH+]2)C1 ZINC000865889517 632941833 /nfs/dbraw/zinc/94/18/33/632941833.db2.gz MTQNJSXFPBBNPH-CABCVRRESA-N 1 2 293.374 3.193 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865889517 632941837 /nfs/dbraw/zinc/94/18/37/632941837.db2.gz MTQNJSXFPBBNPH-CABCVRRESA-N 1 2 293.374 3.193 20 30 CGEDLO N#CCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccn1 ZINC000822669235 633002629 /nfs/dbraw/zinc/00/26/29/633002629.db2.gz UPWNTVQXMDFIAS-GFCCVEGCSA-N 1 2 298.217 3.381 20 30 CGEDLO N#CCC[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccn1 ZINC000822669235 633002630 /nfs/dbraw/zinc/00/26/30/633002630.db2.gz UPWNTVQXMDFIAS-GFCCVEGCSA-N 1 2 298.217 3.381 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000866244235 633042233 /nfs/dbraw/zinc/04/22/33/633042233.db2.gz ZKKXHHPZZWMACO-QWHCGFSZSA-N 1 2 256.349 3.271 20 30 CGEDLO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866258797 633047903 /nfs/dbraw/zinc/04/79/03/633047903.db2.gz AZUCQHPVROBWTJ-STQMWFEESA-N 1 2 296.370 3.251 20 30 CGEDLO CCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCOCC1 ZINC000866277049 633060666 /nfs/dbraw/zinc/06/06/66/633060666.db2.gz IENMASCEVYEKNQ-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1O ZINC000866373718 633109756 /nfs/dbraw/zinc/10/97/56/633109756.db2.gz QRCWRRWKOTVQJL-FIXIBIHLSA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@H]([NH2+]CCCOC(C)(C)C)c1cccc(C#N)c1O ZINC000866388614 633116845 /nfs/dbraw/zinc/11/68/45/633116845.db2.gz DIROVPQNAJBDCU-LBPRGKRZSA-N 1 2 276.380 3.120 20 30 CGEDLO CCC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)OCC ZINC000866396116 633121460 /nfs/dbraw/zinc/12/14/60/633121460.db2.gz NDOUVCVQBJPGSA-JSGCOSHPSA-N 1 2 276.380 3.120 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866394965 633121547 /nfs/dbraw/zinc/12/15/47/633121547.db2.gz YTGYLBZIKPQJPA-XHDPSFHLSA-N 1 2 258.365 3.349 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(C#N)c1O ZINC000866394982 633121699 /nfs/dbraw/zinc/12/16/99/633121699.db2.gz YZCGNSZCHCKBPK-ZDUSSCGKSA-N 1 2 283.375 3.389 20 30 CGEDLO COc1cccc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)oc21 ZINC000827650062 633507308 /nfs/dbraw/zinc/50/73/08/633507308.db2.gz NAQPYBNXJAXCNI-INIZCTEOSA-N 1 2 270.332 3.177 20 30 CGEDLO COc1cccc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)oc21 ZINC000827650062 633507312 /nfs/dbraw/zinc/50/73/12/633507312.db2.gz NAQPYBNXJAXCNI-INIZCTEOSA-N 1 2 270.332 3.177 20 30 CGEDLO CC(C)OC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCC1 ZINC000872115246 634040810 /nfs/dbraw/zinc/04/08/10/634040810.db2.gz JRSHLBNIZXQVJS-ZDUSSCGKSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000877365091 635031127 /nfs/dbraw/zinc/03/11/27/635031127.db2.gz OJQJFVIGHGCMDU-SNVBAGLBSA-N 1 2 272.270 3.209 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000877540187 635079476 /nfs/dbraw/zinc/07/94/76/635079476.db2.gz ZEUDFFKLNFGPHO-AWEZNQCLSA-N 1 2 287.794 3.371 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000877540187 635079478 /nfs/dbraw/zinc/07/94/78/635079478.db2.gz ZEUDFFKLNFGPHO-AWEZNQCLSA-N 1 2 287.794 3.371 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000877581507 635101365 /nfs/dbraw/zinc/10/13/65/635101365.db2.gz HGKMDLJQOWQSRP-UHFFFAOYSA-N 1 2 275.783 3.229 20 30 CGEDLO C#CC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000877607051 635109899 /nfs/dbraw/zinc/10/98/99/635109899.db2.gz VIJBAOIKYJWHKS-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1 ZINC000877824223 635228375 /nfs/dbraw/zinc/22/83/75/635228375.db2.gz PWWXNAKGAOITFK-FZMZJTMJSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1 ZINC000877824223 635228383 /nfs/dbraw/zinc/22/83/83/635228383.db2.gz PWWXNAKGAOITFK-FZMZJTMJSA-N 1 2 298.308 3.100 20 30 CGEDLO C[N@H+](CCC#N)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878175362 635394946 /nfs/dbraw/zinc/39/49/46/635394946.db2.gz QAPJZFXLEUUBCK-HOTGVXAUSA-N 1 2 258.365 3.142 20 30 CGEDLO C[N@@H+](CCC#N)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878175362 635394952 /nfs/dbraw/zinc/39/49/52/635394952.db2.gz QAPJZFXLEUUBCK-HOTGVXAUSA-N 1 2 258.365 3.142 20 30 CGEDLO C[N@H+](CCC#N)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878175364 635395702 /nfs/dbraw/zinc/39/57/02/635395702.db2.gz QAPJZFXLEUUBCK-JKSUJKDBSA-N 1 2 258.365 3.142 20 30 CGEDLO C[N@@H+](CCC#N)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878175364 635395710 /nfs/dbraw/zinc/39/57/10/635395710.db2.gz QAPJZFXLEUUBCK-JKSUJKDBSA-N 1 2 258.365 3.142 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2(COC)CC2)c1 ZINC000843267114 635628416 /nfs/dbraw/zinc/62/84/16/635628416.db2.gz UUGSZVSLZVJRSO-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000878819166 635635567 /nfs/dbraw/zinc/63/55/67/635635567.db2.gz ZMCRYUWDFCDCTI-CHWSQXEVSA-N 1 2 281.359 3.059 20 30 CGEDLO CCCCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844447542 635905639 /nfs/dbraw/zinc/90/56/39/635905639.db2.gz SWGVYIYNUCWOJH-AWEZNQCLSA-N 1 2 265.401 3.311 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C3 ZINC000880369798 635983608 /nfs/dbraw/zinc/98/36/08/635983608.db2.gz PRNMSAVDXQRRRA-STQMWFEESA-N 1 2 295.386 3.227 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@H]1CC[C@H](C#N)C1)C3 ZINC000880369798 635983613 /nfs/dbraw/zinc/98/36/13/635983613.db2.gz PRNMSAVDXQRRRA-STQMWFEESA-N 1 2 295.386 3.227 20 30 CGEDLO C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)C[C@H](C)n1cc[nH+]c1)C2(C)C ZINC000845536529 636046457 /nfs/dbraw/zinc/04/64/57/636046457.db2.gz BBORIAFEKWXUHG-ATGSNQNLSA-N 1 2 288.391 3.368 20 30 CGEDLO C=C(C)CC[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845863915 636110124 /nfs/dbraw/zinc/11/01/24/636110124.db2.gz HVJLCGMPZFGPAN-CYBMUJFWSA-N 1 2 276.380 3.050 20 30 CGEDLO Cc1cc(CNc2ccc(C#N)cc2C)cc(C)[nH+]1 ZINC000846749303 636222513 /nfs/dbraw/zinc/22/25/13/636222513.db2.gz GOIQVDKVLJZGLS-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO Cc1cc(C#N)ccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000846753755 636228527 /nfs/dbraw/zinc/22/85/27/636228527.db2.gz VFUUOVBGMHPFCW-DYVFJYSZSA-N 1 2 280.375 3.151 20 30 CGEDLO Cc1cc(C#N)ccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000846753759 636228894 /nfs/dbraw/zinc/22/88/94/636228894.db2.gz VFUUOVBGMHPFCW-SUMWQHHRSA-N 1 2 280.375 3.151 20 30 CGEDLO C=CCCC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000882235616 636294812 /nfs/dbraw/zinc/29/48/12/636294812.db2.gz TXRAXQWGKTWJET-KRWDZBQOSA-N 1 2 297.402 3.176 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000846991220 636302444 /nfs/dbraw/zinc/30/24/44/636302444.db2.gz HCXJDRJRTOSYBX-BBRMVZONSA-N 1 2 295.386 3.449 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000846994323 636303697 /nfs/dbraw/zinc/30/36/97/636303697.db2.gz PYZFGSLXCIRNAE-GFCCVEGCSA-N 1 2 280.755 3.030 20 30 CGEDLO C=CCCC[C@@H]([NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000883209250 636586924 /nfs/dbraw/zinc/58/69/24/636586924.db2.gz YJCJFNUHUSYPLH-OAHLLOKOSA-N 1 2 270.380 3.002 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(Br)c1 ZINC000134911570 637050406 /nfs/dbraw/zinc/05/04/06/637050406.db2.gz XFYASRJECMXTFE-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(Br)c1 ZINC000134911570 637050417 /nfs/dbraw/zinc/05/04/17/637050417.db2.gz XFYASRJECMXTFE-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850442111 637066544 /nfs/dbraw/zinc/06/65/44/637066544.db2.gz AWEQJTKFSVLGON-VIFPVBQESA-N 1 2 270.716 3.007 20 30 CGEDLO C#CC[C@H]1CC[N@@H+](Cc2nc(C)c(Br)s2)C1 ZINC000886367146 637515445 /nfs/dbraw/zinc/51/54/45/637515445.db2.gz LVWBQUSMPZXQGW-JTQLQIEISA-N 1 2 299.237 3.059 20 30 CGEDLO C#CC[C@H]1CC[N@H+](Cc2nc(C)c(Br)s2)C1 ZINC000886367146 637515455 /nfs/dbraw/zinc/51/54/55/637515455.db2.gz LVWBQUSMPZXQGW-JTQLQIEISA-N 1 2 299.237 3.059 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000852101669 637595676 /nfs/dbraw/zinc/59/56/76/637595676.db2.gz GHPMKYZFXPCPEK-GUYCJALGSA-N 1 2 283.375 3.113 20 30 CGEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)nc2ccccc12 ZINC000852318802 637633465 /nfs/dbraw/zinc/63/34/65/637633465.db2.gz BXFPBJDXCLHVJJ-AWEZNQCLSA-N 1 2 280.375 3.064 20 30 CGEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)nc2ccccc12 ZINC000852318802 637633467 /nfs/dbraw/zinc/63/34/67/637633467.db2.gz BXFPBJDXCLHVJJ-AWEZNQCLSA-N 1 2 280.375 3.064 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cl)ccc1Cl)[C@H](C)COC ZINC000852356435 637642079 /nfs/dbraw/zinc/64/20/79/637642079.db2.gz DWDSICDKCSNCSP-SNVBAGLBSA-N 1 2 289.206 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@H](C)COC ZINC000852356435 637642086 /nfs/dbraw/zinc/64/20/86/637642086.db2.gz DWDSICDKCSNCSP-SNVBAGLBSA-N 1 2 289.206 3.411 20 30 CGEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852406574 637647741 /nfs/dbraw/zinc/64/77/41/637647741.db2.gz QDCWYEARIZKILO-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@@H](C#N)OCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852406574 637647744 /nfs/dbraw/zinc/64/77/44/637647744.db2.gz QDCWYEARIZKILO-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cccc(C#N)c1O ZINC000886825132 637709572 /nfs/dbraw/zinc/70/95/72/637709572.db2.gz MYWPRRILXRAECI-LLVKDONJSA-N 1 2 256.349 3.247 20 30 CGEDLO CC[N@@H+]1CC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000887269914 637786416 /nfs/dbraw/zinc/78/64/16/637786416.db2.gz DFGSGMQWOWOBIQ-PFJSLNBISA-N 1 2 287.190 3.212 20 30 CGEDLO CC[N@H+]1CC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000887269914 637786422 /nfs/dbraw/zinc/78/64/22/637786422.db2.gz DFGSGMQWOWOBIQ-PFJSLNBISA-N 1 2 287.190 3.212 20 30 CGEDLO c1cn(CCCNN=C2CCC(C3CCC3)CC2)c[nH+]1 ZINC000853372831 637826685 /nfs/dbraw/zinc/82/66/85/637826685.db2.gz ZTMMXGULSDJCCF-UHFFFAOYSA-N 1 2 274.412 3.209 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(F)cn1 ZINC000853449107 637846684 /nfs/dbraw/zinc/84/66/84/637846684.db2.gz SQEOBOZWDADWFS-UHFFFAOYSA-N 1 2 285.322 3.020 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@]1(C)CC1(F)F ZINC000853850585 637941245 /nfs/dbraw/zinc/94/12/45/637941245.db2.gz VDYVFOOJWKLMEO-CQSZACIVSA-N 1 2 280.318 3.331 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc(C#N)c1O ZINC000925087018 638449593 /nfs/dbraw/zinc/44/95/93/638449593.db2.gz AZPZZNVBRWWZDM-ZFWWWQNUSA-N 1 2 290.407 3.102 20 30 CGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857884284 638593248 /nfs/dbraw/zinc/59/32/48/638593248.db2.gz GIURUYJKAHJHST-HUUCEWRRSA-N 1 2 291.439 3.311 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000925752366 638596954 /nfs/dbraw/zinc/59/69/54/638596954.db2.gz UCXVYCUSMDFGFZ-ZDUSSCGKSA-N 1 2 272.396 3.422 20 30 CGEDLO C=CCSc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981464 638611946 /nfs/dbraw/zinc/61/19/46/638611946.db2.gz FHUOGTZRTOTEEL-CYBMUJFWSA-N 1 2 299.399 3.036 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)c1cccc(C#N)c1O ZINC000926329630 638763504 /nfs/dbraw/zinc/76/35/04/638763504.db2.gz FZQBXQIISZZVIG-CJNGLKHVSA-N 1 2 289.423 3.035 20 30 CGEDLO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926634573 638793014 /nfs/dbraw/zinc/79/30/14/638793014.db2.gz JUFCVJYVDYQNNO-BJJXKVORSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cccc(C#N)c1O ZINC000926642027 638793818 /nfs/dbraw/zinc/79/38/18/638793818.db2.gz JVFAPXDILGKTBN-DDTOSNHZSA-N 1 2 276.405 3.199 20 30 CGEDLO COc1ccnc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000926712828 638802680 /nfs/dbraw/zinc/80/26/80/638802680.db2.gz NMJKTZQRBSYRHR-CYBMUJFWSA-N 1 2 273.380 3.215 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)Cc2c[nH]nc21 ZINC000931461286 639154092 /nfs/dbraw/zinc/15/40/92/639154092.db2.gz SIAJKGKZURQZAJ-GFCCVEGCSA-N 1 2 285.778 3.034 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)Cc2c[nH]nc21 ZINC000931461286 639154096 /nfs/dbraw/zinc/15/40/96/639154096.db2.gz SIAJKGKZURQZAJ-GFCCVEGCSA-N 1 2 285.778 3.034 20 30 CGEDLO C#CCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931796795 639207696 /nfs/dbraw/zinc/20/76/96/639207696.db2.gz MYQVBPDABNTDBY-MRXNPFEDSA-N 1 2 285.778 3.034 20 30 CGEDLO C#CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931796795 639207699 /nfs/dbraw/zinc/20/76/99/639207699.db2.gz MYQVBPDABNTDBY-MRXNPFEDSA-N 1 2 285.778 3.034 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000932150996 639276975 /nfs/dbraw/zinc/27/69/75/639276975.db2.gz AGHLCGDEWYLKKE-LBPRGKRZSA-N 1 2 250.292 3.360 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000932150996 639276979 /nfs/dbraw/zinc/27/69/79/639276979.db2.gz AGHLCGDEWYLKKE-LBPRGKRZSA-N 1 2 250.292 3.360 20 30 CGEDLO Clc1ccc(C#CC[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000932353406 639318979 /nfs/dbraw/zinc/31/89/79/639318979.db2.gz LYYWUATYNGAUBQ-INIZCTEOSA-N 1 2 297.789 3.222 20 30 CGEDLO C#CC[N@H+](Cc1ccncc1Br)C(C)(C)C ZINC000932461757 639337710 /nfs/dbraw/zinc/33/77/10/639337710.db2.gz HMKNFRMTLOCADB-UHFFFAOYSA-N 1 2 281.197 3.078 20 30 CGEDLO C#CC[N@@H+](Cc1ccncc1Br)C(C)(C)C ZINC000932461757 639337714 /nfs/dbraw/zinc/33/77/14/639337714.db2.gz HMKNFRMTLOCADB-UHFFFAOYSA-N 1 2 281.197 3.078 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000934467034 639613675 /nfs/dbraw/zinc/61/36/75/639613675.db2.gz WLJWONYAGASNDD-LBPRGKRZSA-N 1 2 278.783 3.237 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000934467034 639613683 /nfs/dbraw/zinc/61/36/83/639613683.db2.gz WLJWONYAGASNDD-LBPRGKRZSA-N 1 2 278.783 3.237 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H]3c3ccccn3)c12 ZINC001156033091 805643163 /nfs/dbraw/zinc/64/31/63/805643163.db2.gz BTHVBCSGGDKTSR-OAHLLOKOSA-N 1 2 289.342 3.171 20 30 CGEDLO C=C[C@@H](CO)Nc1cc(SCc2ccccc2)cc[nH+]1 ZINC001158818263 806008040 /nfs/dbraw/zinc/00/80/40/806008040.db2.gz WSKIOVFJJSVGNR-AWEZNQCLSA-N 1 2 286.400 3.333 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001252140753 806025890 /nfs/dbraw/zinc/02/58/90/806025890.db2.gz TWVJWTRZYUMHFN-HUUCEWRRSA-N 1 2 287.444 3.029 20 30 CGEDLO C=C[C@@](C)(O)C[NH2+][C@](CC)(CCCCCC)C(=O)OCC ZINC001252584815 806075680 /nfs/dbraw/zinc/07/56/80/806075680.db2.gz GGEHNWZTMIDRFK-IAGOWNOFSA-N 1 2 299.455 3.195 20 30 CGEDLO CC1(C)CC(Nc2cc(CC#N)cc[nH+]2)CC(C)(C)O1 ZINC001159318907 806081205 /nfs/dbraw/zinc/08/12/05/806081205.db2.gz BDWQPHLSIVTZNA-UHFFFAOYSA-N 1 2 273.380 3.296 20 30 CGEDLO Cc1cc(C#N)cc(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160689102 806295637 /nfs/dbraw/zinc/29/56/37/806295637.db2.gz XSRULFCNHVHTPL-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO Cc1c[nH+]c(NCCc2c[nH]c3ccccc23)c(/C=N/O)c1 ZINC001160779950 806302502 /nfs/dbraw/zinc/30/25/02/806302502.db2.gz HRGXYPLWZGNWNE-SRZZPIQSSA-N 1 2 294.358 3.334 20 30 CGEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254292829 806379832 /nfs/dbraw/zinc/37/98/32/806379832.db2.gz JMRXLWRWEVKDDI-CZUORRHYSA-N 1 2 295.427 3.058 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1cc(C#N)c2ccccc2n1 ZINC001161569422 806394246 /nfs/dbraw/zinc/39/42/46/806394246.db2.gz KZZNBSSCINHWJI-UHFFFAOYSA-N 1 2 291.358 3.496 20 30 CGEDLO C=CCOCc1cccc(NCCCn2cc[nH+]c2)c1 ZINC001161689223 806420470 /nfs/dbraw/zinc/42/04/70/806420470.db2.gz LGOSVSJAWPKCRD-UHFFFAOYSA-N 1 2 271.364 3.088 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001255164756 806563066 /nfs/dbraw/zinc/56/30/66/806563066.db2.gz QANZYXGEXCYHSO-NSHDSACASA-N 1 2 251.761 3.252 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001255175969 806569999 /nfs/dbraw/zinc/56/99/99/806569999.db2.gz UDGGTUACASFSPG-HOTGVXAUSA-N 1 2 283.375 3.094 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001255175969 806570006 /nfs/dbraw/zinc/57/00/06/806570006.db2.gz UDGGTUACASFSPG-HOTGVXAUSA-N 1 2 283.375 3.094 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255347850 806624123 /nfs/dbraw/zinc/62/41/23/806624123.db2.gz GPOLKHPJXJKEFM-GXTWGEPZSA-N 1 2 279.355 3.395 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2CCCc3ccncc32)c1 ZINC001163168420 806712329 /nfs/dbraw/zinc/71/23/29/806712329.db2.gz WJOTYAKGUVGTMY-OAHLLOKOSA-N 1 2 264.332 3.032 20 30 CGEDLO C=C(C)CNc1c(Br)c[nH+]c2ccccc21 ZINC001163377998 806754499 /nfs/dbraw/zinc/75/44/99/806754499.db2.gz APHCRHXPSUYSLQ-UHFFFAOYSA-N 1 2 277.165 3.407 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(NC2=CC(=O)CCC2)c1 ZINC001163458197 806766235 /nfs/dbraw/zinc/76/62/35/806766235.db2.gz YASBKENHBYRXCL-UHFFFAOYSA-N 1 2 267.332 3.136 20 30 CGEDLO COc1ccc([NH2+][C@@H](C)CC(C)(C)C#N)c(OC)c1 ZINC000695836902 799834348 /nfs/dbraw/zinc/83/43/48/799834348.db2.gz ORGFQVXMSNWGDJ-NSHDSACASA-N 1 2 262.353 3.444 20 30 CGEDLO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000708708589 799991700 /nfs/dbraw/zinc/99/17/00/799991700.db2.gz YIDNNYCPPUUTIW-ZDUSSCGKSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000708708589 799991706 /nfs/dbraw/zinc/99/17/06/799991706.db2.gz YIDNNYCPPUUTIW-ZDUSSCGKSA-N 1 2 286.272 3.472 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708723086 799993869 /nfs/dbraw/zinc/99/38/69/799993869.db2.gz ODTYFUCHCCCAGT-QMMMGPOBSA-N 1 2 272.108 3.169 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708723086 799993878 /nfs/dbraw/zinc/99/38/78/799993878.db2.gz ODTYFUCHCCCAGT-QMMMGPOBSA-N 1 2 272.108 3.169 20 30 CGEDLO C#C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(C)cc1 ZINC000860962375 800525081 /nfs/dbraw/zinc/52/50/81/800525081.db2.gz PHZIGSHMJDMHDE-GOEBONIOSA-N 1 2 282.343 3.060 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023737 800827791 /nfs/dbraw/zinc/82/77/91/800827791.db2.gz UWNOTZDUMGQTKV-MGPQQGTHSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023737 800827798 /nfs/dbraw/zinc/82/77/98/800827798.db2.gz UWNOTZDUMGQTKV-MGPQQGTHSA-N 1 2 298.858 3.002 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC(F)(C4CC4)C3)c2c1 ZINC001163968571 806864318 /nfs/dbraw/zinc/86/43/18/806864318.db2.gz WLVCOIYMKSWCBM-UHFFFAOYSA-N 1 2 267.307 3.045 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736630 800980800 /nfs/dbraw/zinc/98/08/00/800980800.db2.gz KTDWIKBHAULCST-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736630 800980803 /nfs/dbraw/zinc/98/08/03/800980803.db2.gz KTDWIKBHAULCST-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033926849 800988914 /nfs/dbraw/zinc/98/89/14/800988914.db2.gz MGTLPUTZYJZHFL-KBPBESRZSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033926849 800988917 /nfs/dbraw/zinc/98/89/17/800988917.db2.gz MGTLPUTZYJZHFL-KBPBESRZSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039333173 801158856 /nfs/dbraw/zinc/15/88/56/801158856.db2.gz MNEMXJPBSFHCSC-KGLIPLIRSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039333173 801158861 /nfs/dbraw/zinc/15/88/61/801158861.db2.gz MNEMXJPBSFHCSC-KGLIPLIRSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001044351679 801236661 /nfs/dbraw/zinc/23/66/61/801236661.db2.gz HZZJTONGBLBFJN-SFHVURJKSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001044378101 801238076 /nfs/dbraw/zinc/23/80/76/801238076.db2.gz WFSHFIMQBPHBHQ-OAHLLOKOSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046702460 801320444 /nfs/dbraw/zinc/32/04/44/801320444.db2.gz DFHWDHCOHKNJCX-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046702460 801320450 /nfs/dbraw/zinc/32/04/50/801320450.db2.gz DFHWDHCOHKNJCX-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501878 801540470 /nfs/dbraw/zinc/54/04/70/801540470.db2.gz VXFSOFZFRVKOED-WFASDCNBSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501878 801540481 /nfs/dbraw/zinc/54/04/81/801540481.db2.gz VXFSOFZFRVKOED-WFASDCNBSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088802003 801809416 /nfs/dbraw/zinc/80/94/16/801809416.db2.gz ZEOMSCTZBKTROQ-RDBSUJKOSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088802003 801809422 /nfs/dbraw/zinc/80/94/22/801809422.db2.gz ZEOMSCTZBKTROQ-RDBSUJKOSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CC1)C2 ZINC001110997242 802151828 /nfs/dbraw/zinc/15/18/28/802151828.db2.gz BEQSFJIHHKFPQQ-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CC1)C2 ZINC001110997242 802151833 /nfs/dbraw/zinc/15/18/33/802151833.db2.gz BEQSFJIHHKFPQQ-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1(C)CC1)C2 ZINC001111222511 802156235 /nfs/dbraw/zinc/15/62/35/802156235.db2.gz HVUSWUYNJBDNNK-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1(C)CC1)C2 ZINC001111222511 802156242 /nfs/dbraw/zinc/15/62/42/802156242.db2.gz HVUSWUYNJBDNNK-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC001112901890 802195354 /nfs/dbraw/zinc/19/53/54/802195354.db2.gz APUSJDPNDSYLNN-UHFFFAOYSA-N 1 2 292.448 3.057 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2CCOCC2)c1O ZINC001116067397 802296334 /nfs/dbraw/zinc/29/63/34/802296334.db2.gz VFWVCKHRYPGRFD-SFQUDFHCSA-N 1 2 277.364 3.027 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC001116541642 802374042 /nfs/dbraw/zinc/37/40/42/802374042.db2.gz LFGDBSGQYALQDP-CYBMUJFWSA-N 1 2 280.437 3.218 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC001116541642 802374048 /nfs/dbraw/zinc/37/40/48/802374048.db2.gz LFGDBSGQYALQDP-CYBMUJFWSA-N 1 2 280.437 3.218 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)s1 ZINC001117391199 802464822 /nfs/dbraw/zinc/46/48/22/802464822.db2.gz GBNBUVDIVZHLSY-BQYQJAHWSA-N 1 2 272.373 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245038 803386600 /nfs/dbraw/zinc/38/66/00/803386600.db2.gz MAQXIFMHHZKBPY-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132245038 803386592 /nfs/dbraw/zinc/38/65/92/803386592.db2.gz MAQXIFMHHZKBPY-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO CNc1cc(-c2ccnc3cc(C#N)ccc32)cc[nH+]1 ZINC001244974648 803599577 /nfs/dbraw/zinc/59/95/77/803599577.db2.gz ZGGRJMKFQVQLHV-UHFFFAOYSA-N 1 2 260.300 3.210 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(C#N)c1 ZINC001137703859 803761470 /nfs/dbraw/zinc/76/14/70/803761470.db2.gz WVFNJTSBLSPBQO-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(C#N)c1 ZINC001137703859 803761477 /nfs/dbraw/zinc/76/14/77/803761477.db2.gz WVFNJTSBLSPBQO-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1Cl ZINC001137824116 803777098 /nfs/dbraw/zinc/77/70/98/803777098.db2.gz YQHHNFGVEZXSHI-OWUUHHOZSA-N 1 2 267.785 3.063 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1Cl ZINC001137824116 803777107 /nfs/dbraw/zinc/77/71/07/803777107.db2.gz YQHHNFGVEZXSHI-OWUUHHOZSA-N 1 2 267.785 3.063 20 30 CGEDLO Cc1c(C[N@@H+]2CC[C@](C)(C#N)C2)[nH]c2ccc(F)cc12 ZINC001138414637 803923803 /nfs/dbraw/zinc/92/38/03/803923803.db2.gz KDEPVFIWESVIMP-MRXNPFEDSA-N 1 2 271.339 3.351 20 30 CGEDLO Cc1c(C[N@H+]2CC[C@](C)(C#N)C2)[nH]c2ccc(F)cc12 ZINC001138414637 803923808 /nfs/dbraw/zinc/92/38/08/803923808.db2.gz KDEPVFIWESVIMP-MRXNPFEDSA-N 1 2 271.339 3.351 20 30 CGEDLO CCCCN(CCC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138565880 803968012 /nfs/dbraw/zinc/96/80/12/803968012.db2.gz RJXIRLHAIVXQSU-UHFFFAOYSA-N 1 2 296.418 3.447 20 30 CGEDLO C#CC1CC[NH+](Cc2c(Cl)ccnc2Cl)CC1 ZINC001139480340 804194065 /nfs/dbraw/zinc/19/40/65/804194065.db2.gz BHBHSIFZGSCQRM-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO CCOC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139690811 804256413 /nfs/dbraw/zinc/25/64/13/804256413.db2.gz KWCWQMZNDMXMPY-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1C#N ZINC001139722830 804267070 /nfs/dbraw/zinc/26/70/70/804267070.db2.gz IGYDHLKILHDKLJ-AWEZNQCLSA-N 1 2 282.309 3.436 20 30 CGEDLO Cc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1C#N ZINC001139722830 804267073 /nfs/dbraw/zinc/26/70/73/804267073.db2.gz IGYDHLKILHDKLJ-AWEZNQCLSA-N 1 2 282.309 3.436 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)nc1OC ZINC001139922676 804329766 /nfs/dbraw/zinc/32/97/66/804329766.db2.gz ZPFSBOBJKYCLFP-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)nc1OC ZINC001139922676 804329774 /nfs/dbraw/zinc/32/97/74/804329774.db2.gz ZPFSBOBJKYCLFP-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO CCCCOC1C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140113899 804381426 /nfs/dbraw/zinc/38/14/26/804381426.db2.gz GAQWBXQZDWWNHO-UHFFFAOYSA-N 1 2 283.375 3.040 20 30 CGEDLO C=CC[N@@H+](C)Cc1sc(N2CCCCC2)nc1Cl ZINC001140292023 804408648 /nfs/dbraw/zinc/40/86/48/804408648.db2.gz GZHVSNWCHLQONW-UHFFFAOYSA-N 1 2 285.844 3.405 20 30 CGEDLO C=CC[N@H+](C)Cc1sc(N2CCCCC2)nc1Cl ZINC001140292023 804408653 /nfs/dbraw/zinc/40/86/53/804408653.db2.gz GZHVSNWCHLQONW-UHFFFAOYSA-N 1 2 285.844 3.405 20 30 CGEDLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(C#N)nc1 ZINC001140545994 804457902 /nfs/dbraw/zinc/45/79/02/804457902.db2.gz RWSWSGJBOOTFEL-UHFFFAOYSA-N 1 2 293.370 3.047 20 30 CGEDLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(C#N)nc1 ZINC001140545994 804457907 /nfs/dbraw/zinc/45/79/07/804457907.db2.gz RWSWSGJBOOTFEL-UHFFFAOYSA-N 1 2 293.370 3.047 20 30 CGEDLO CCCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]1 ZINC001141072655 804585474 /nfs/dbraw/zinc/58/54/74/804585474.db2.gz WMKRVHFATNRAPN-XMQYKBBCSA-N 1 2 272.396 3.019 20 30 CGEDLO CCCCc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c[nH]1 ZINC001141072655 804585478 /nfs/dbraw/zinc/58/54/78/804585478.db2.gz WMKRVHFATNRAPN-XMQYKBBCSA-N 1 2 272.396 3.019 20 30 CGEDLO CCCCc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c[nH]1 ZINC001141072655 804585481 /nfs/dbraw/zinc/58/54/81/804585481.db2.gz WMKRVHFATNRAPN-XMQYKBBCSA-N 1 2 272.396 3.019 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118173 804593194 /nfs/dbraw/zinc/59/31/94/804593194.db2.gz NJZDSRSEEOGSGG-AWEZNQCLSA-N 1 2 281.334 3.233 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118173 804593197 /nfs/dbraw/zinc/59/31/97/804593197.db2.gz NJZDSRSEEOGSGG-AWEZNQCLSA-N 1 2 281.334 3.233 20 30 CGEDLO C[C@@]1(F)CCCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141164140 804601516 /nfs/dbraw/zinc/60/15/16/804601516.db2.gz LMUUBEIORYTPDX-OAHLLOKOSA-N 1 2 264.319 3.411 20 30 CGEDLO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141164140 804601517 /nfs/dbraw/zinc/60/15/17/804601517.db2.gz LMUUBEIORYTPDX-OAHLLOKOSA-N 1 2 264.319 3.411 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143996639 804921015 /nfs/dbraw/zinc/92/10/15/804921015.db2.gz OQAPHGXKWHWRTH-UHFFFAOYSA-N 1 2 285.696 3.427 20 30 CGEDLO CCOc1c(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001144031009 804929098 /nfs/dbraw/zinc/92/90/98/804929098.db2.gz WOUSVUQXLHRWGG-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1c(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001144031009 804929102 /nfs/dbraw/zinc/92/91/02/804929102.db2.gz WOUSVUQXLHRWGG-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001248660308 804964988 /nfs/dbraw/zinc/96/49/88/804964988.db2.gz OIBCWZDLAODBKZ-UHFFFAOYSA-N 1 2 299.414 3.329 20 30 CGEDLO CC(C)(C)c1c[nH]c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001249476868 805155492 /nfs/dbraw/zinc/15/54/92/805155492.db2.gz JKJFZEXTVXKQNC-CQSZACIVSA-N 1 2 290.432 3.086 20 30 CGEDLO CC(C)(C)c1c[nH]c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001249476868 805155497 /nfs/dbraw/zinc/15/54/97/805155497.db2.gz JKJFZEXTVXKQNC-CQSZACIVSA-N 1 2 290.432 3.086 20 30 CGEDLO N#Cc1ccc(Cc2ccc[nH+]c2N2CCCC2)cc1 ZINC001250054530 805393190 /nfs/dbraw/zinc/39/31/90/805393190.db2.gz NCYGVTYDNYEZHR-UHFFFAOYSA-N 1 2 263.344 3.144 20 30 CGEDLO C#Cc1cc(Nc2ccc(Cl)c(OCC)c2)cc[nH+]1 ZINC001212577892 815075492 /nfs/dbraw/zinc/07/54/92/815075492.db2.gz BGVHSQVIEJLGFG-UHFFFAOYSA-N 1 2 272.735 3.281 20 30 CGEDLO CCc1coc(CNc2[nH+]ccc3ccc(C#N)cc32)n1 ZINC001154778295 805484325 /nfs/dbraw/zinc/48/43/25/805484325.db2.gz HTXDSFSUIROKRA-UHFFFAOYSA-N 1 2 278.315 3.269 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCCC3CCOCC3)c2c1 ZINC001154844079 805496821 /nfs/dbraw/zinc/49/68/21/805496821.db2.gz ZOFTZWBDHHLRMM-UHFFFAOYSA-N 1 2 281.359 3.335 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4ccsc4C3)c12 ZINC001166685201 807083084 /nfs/dbraw/zinc/08/30/84/807083084.db2.gz URPVLHDNNYZPNE-UHFFFAOYSA-N 1 2 280.356 3.059 20 30 CGEDLO CCCC(CCC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257338118 807113286 /nfs/dbraw/zinc/11/32/86/807113286.db2.gz ROOSQRJUZILTJQ-ZDUSSCGKSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC(CCC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257338118 807113290 /nfs/dbraw/zinc/11/32/90/807113290.db2.gz ROOSQRJUZILTJQ-ZDUSSCGKSA-N 1 2 253.411 3.229 20 30 CGEDLO C#C[C@H]1CCCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001167006767 807127835 /nfs/dbraw/zinc/12/78/35/807127835.db2.gz VTKRLAYPYIBBOJ-AWEZNQCLSA-N 1 2 250.345 3.393 20 30 CGEDLO C=C(C)CN(CC)c1[nH+]ccc2cc(C(=O)OCC)[nH]c21 ZINC001167050142 807137210 /nfs/dbraw/zinc/13/72/10/807137210.db2.gz RQIGPZFPNYVBHI-UHFFFAOYSA-N 1 2 287.363 3.142 20 30 CGEDLO Cc1cnc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001212694900 815105343 /nfs/dbraw/zinc/10/53/43/815105343.db2.gz CXUXABCTEIQQBD-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168087441 807308356 /nfs/dbraw/zinc/30/83/56/807308356.db2.gz LLKZGQPCZSPYKV-CABCVRRESA-N 1 2 285.428 3.047 20 30 CGEDLO CCOC(=O)CCC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001258102628 807309729 /nfs/dbraw/zinc/30/97/29/807309729.db2.gz HMZHCLSSJKPAID-CQSZACIVSA-N 1 2 280.412 3.314 20 30 CGEDLO COc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@H]2C#N)cc1 ZINC001258396798 807438325 /nfs/dbraw/zinc/43/83/25/807438325.db2.gz CEDHGXFFAKNTHO-HIFRSBDPSA-N 1 2 258.365 3.004 20 30 CGEDLO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H]2C#N)cc1 ZINC001258396798 807438328 /nfs/dbraw/zinc/43/83/28/807438328.db2.gz CEDHGXFFAKNTHO-HIFRSBDPSA-N 1 2 258.365 3.004 20 30 CGEDLO C=CCC[C@@H](C)[N@H+](CC(=O)OCC)Cc1ccsc1 ZINC001258733332 807579083 /nfs/dbraw/zinc/57/90/83/807579083.db2.gz ZMSIBIUIOHPVCH-CYBMUJFWSA-N 1 2 281.421 3.468 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+](CC(=O)OCC)Cc1ccsc1 ZINC001258733332 807579087 /nfs/dbraw/zinc/57/90/87/807579087.db2.gz ZMSIBIUIOHPVCH-CYBMUJFWSA-N 1 2 281.421 3.468 20 30 CGEDLO CC[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001170169808 807785013 /nfs/dbraw/zinc/78/50/13/807785013.db2.gz GEVIHQJJFKJTNO-UONOGXRCSA-N 1 2 250.386 3.150 20 30 CGEDLO N#CC1(c2ccccc2)CCC([NH+]2C[C@@H](F)[C@H](F)C2)CC1 ZINC001170378893 807832860 /nfs/dbraw/zinc/83/28/60/807832860.db2.gz MYGAHQWPPIIOMO-JCCCHCCOSA-N 1 2 290.357 3.382 20 30 CGEDLO C=CCCCN(CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001262236402 807839302 /nfs/dbraw/zinc/83/93/02/807839302.db2.gz DGRNFJUCEXSJFT-UHFFFAOYSA-N 1 2 286.379 3.463 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381714 808040962 /nfs/dbraw/zinc/04/09/62/808040962.db2.gz GKSYEIOQNUWPLR-CZUORRHYSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381714 808040971 /nfs/dbraw/zinc/04/09/71/808040971.db2.gz GKSYEIOQNUWPLR-CZUORRHYSA-N 1 2 276.330 3.058 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001267336677 808417261 /nfs/dbraw/zinc/41/72/61/808417261.db2.gz WDWPWMLJYTYJIK-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001267336677 808417267 /nfs/dbraw/zinc/41/72/67/808417267.db2.gz WDWPWMLJYTYJIK-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](CC)C2CCC(C)CC2)C1 ZINC001267649514 808464765 /nfs/dbraw/zinc/46/47/65/808464765.db2.gz YYYVUYIQGFPRBZ-DQPZFDDXSA-N 1 2 292.467 3.215 20 30 CGEDLO CCCOC1CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001173094936 808506995 /nfs/dbraw/zinc/50/69/95/808506995.db2.gz WNHOGKQCTQGXCR-SHARSMKWSA-N 1 2 252.402 3.252 20 30 CGEDLO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001173624516 808656005 /nfs/dbraw/zinc/65/60/05/808656005.db2.gz ZYTHFVTZSHOYKP-LSDHHAIUSA-N 1 2 292.423 3.314 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173663758 808663159 /nfs/dbraw/zinc/66/31/59/808663159.db2.gz IDCXRNVICAARGQ-UHFFFAOYSA-N 1 2 290.304 3.300 20 30 CGEDLO C=CCC1(C(=O)N(C)C2C[NH+](Cc3ccccc3)C2)CCC1 ZINC001269843527 808706640 /nfs/dbraw/zinc/70/66/40/808706640.db2.gz MQUUZMTXYSCUCG-UHFFFAOYSA-N 1 2 298.430 3.076 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC ZINC001275912339 808975370 /nfs/dbraw/zinc/97/53/70/808975370.db2.gz KIGVPJDIYNJCII-ZDUSSCGKSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC ZINC001275912339 808975374 /nfs/dbraw/zinc/97/53/74/808975374.db2.gz KIGVPJDIYNJCII-ZDUSSCGKSA-N 1 2 294.826 3.052 20 30 CGEDLO CC(C)n1c[nH+]c2cc(Nc3cnc(C#N)nc3)ccc21 ZINC001174381436 808985606 /nfs/dbraw/zinc/98/56/06/808985606.db2.gz GNKAFKBMXSEXFT-UHFFFAOYSA-N 1 2 278.319 3.022 20 30 CGEDLO CN(C)c1ccc(Nc2cccc(C3(C#N)CC3)c2)c[nH+]1 ZINC001213312129 815264202 /nfs/dbraw/zinc/26/42/02/815264202.db2.gz USVZABXNAKPBRW-UHFFFAOYSA-N 1 2 278.359 3.446 20 30 CGEDLO C#Cc1cc(Nc2cccc(C(F)(F)F)c2F)cc[nH+]1 ZINC001175135396 809284755 /nfs/dbraw/zinc/28/47/55/809284755.db2.gz KWYIYUXXQSBILH-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO N#Cc1cccc(O)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351466 809373789 /nfs/dbraw/zinc/37/37/89/809373789.db2.gz MWOYSAFHVQQKDX-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C#N)nc1 ZINC001213491537 815290055 /nfs/dbraw/zinc/29/00/55/815290055.db2.gz NDMRRYIYKQZHPB-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO Cc1cn2c(cccc2Nc2cc(F)cc(C#N)c2)[nH+]1 ZINC001175680503 809502230 /nfs/dbraw/zinc/50/22/30/809502230.db2.gz YGVPOVCQMBDKKC-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)s1 ZINC001175711526 809516954 /nfs/dbraw/zinc/51/69/54/809516954.db2.gz ZNPXCHHOYZSJJO-UHFFFAOYSA-N 1 2 284.266 3.359 20 30 CGEDLO N#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1O ZINC001175714319 809517276 /nfs/dbraw/zinc/51/72/76/809517276.db2.gz MVGOTVXKAGDOMQ-UHFFFAOYSA-N 1 2 294.236 3.003 20 30 CGEDLO CC(=O)Nc1ccc(Nc2c[nH+]cc(C)c2C)cc1C#N ZINC001213532960 815301084 /nfs/dbraw/zinc/30/10/84/815301084.db2.gz YAPPCSNJUQNOOC-UHFFFAOYSA-N 1 2 280.331 3.272 20 30 CGEDLO COc1cc(C#N)cc(Nc2c[nH+]cc(C)c2C)c1 ZINC001213534243 815302550 /nfs/dbraw/zinc/30/25/50/815302550.db2.gz SXUPJJYEEUCSRN-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(F)c(C#N)cc1C ZINC001176124399 809630322 /nfs/dbraw/zinc/63/03/22/809630322.db2.gz MRWOBNYBNRXCKJ-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO C#Cc1cc(Nc2ccc(-c3ccncc3)cc2)cc[nH+]1 ZINC001176693699 809742723 /nfs/dbraw/zinc/74/27/23/809742723.db2.gz AQCUGWIPAPLASP-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO CCc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc(CC)c1C#N ZINC001177926788 809831591 /nfs/dbraw/zinc/83/15/91/809831591.db2.gz NRQNMNGIIJZFIC-GFCCVEGCSA-N 1 2 296.374 3.079 20 30 CGEDLO C#CCOc1ccc(CNc2c[nH+]c(C)c(C)c2)cc1 ZINC001179447990 809922507 /nfs/dbraw/zinc/92/25/07/809922507.db2.gz UTXBMUNGBXGQRR-UHFFFAOYSA-N 1 2 266.344 3.323 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(F)c(F)c1O ZINC001184034585 810175574 /nfs/dbraw/zinc/17/55/74/810175574.db2.gz GEGULBZNZMWBFK-UHFFFAOYSA-N 1 2 294.326 3.236 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)c(F)c1O ZINC001184034585 810175576 /nfs/dbraw/zinc/17/55/76/810175576.db2.gz GEGULBZNZMWBFK-UHFFFAOYSA-N 1 2 294.326 3.236 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1 ZINC001185043860 810230213 /nfs/dbraw/zinc/23/02/13/810230213.db2.gz OXHXJZWBEKIXNS-UHFFFAOYSA-N 1 2 289.342 3.169 20 30 CGEDLO CCCCCCCCNC(=O)Nc1c[nH+]c(C)n1C ZINC001191053027 810667525 /nfs/dbraw/zinc/66/75/25/810667525.db2.gz XHUHFAHNOUFZTE-UHFFFAOYSA-N 1 2 266.389 3.211 20 30 CGEDLO CCCCCCCCCOC(=O)NCCc1[nH+]ccn1C ZINC001194923901 811171626 /nfs/dbraw/zinc/17/16/26/811171626.db2.gz VZHVGDXBDRYNIN-UHFFFAOYSA-N 1 2 295.427 3.439 20 30 CGEDLO CCCCCCCCCC[N@@H+](C)Cc1c[nH]nn1 ZINC001203212927 812267697 /nfs/dbraw/zinc/26/76/97/812267697.db2.gz YQERKRWVJOJECE-UHFFFAOYSA-N 1 2 252.406 3.377 20 30 CGEDLO CCCCCCCCCC[N@@H+](C)Cc1cnn[nH]1 ZINC001203212927 812267690 /nfs/dbraw/zinc/26/76/90/812267690.db2.gz YQERKRWVJOJECE-UHFFFAOYSA-N 1 2 252.406 3.377 20 30 CGEDLO CCCCCCCCCC[N@H+](C)Cc1c[nH]nn1 ZINC001203212927 812267694 /nfs/dbraw/zinc/26/76/94/812267694.db2.gz YQERKRWVJOJECE-UHFFFAOYSA-N 1 2 252.406 3.377 20 30 CGEDLO CCCCCCCCCC[N@H+](C)Cc1cnn[nH]1 ZINC001203212927 812267684 /nfs/dbraw/zinc/26/76/84/812267684.db2.gz YQERKRWVJOJECE-UHFFFAOYSA-N 1 2 252.406 3.377 20 30 CGEDLO N#Cc1ccc(C=CNc2cccn3cc[nH+]c23)cc1 ZINC001203298066 812299260 /nfs/dbraw/zinc/29/92/60/812299260.db2.gz GFEBQFUZNONPOO-BQYQJAHWSA-N 1 2 260.300 3.289 20 30 CGEDLO Cc1ccc(Nc2cnc(C#N)c(Cl)c2)c(C)[nH+]1 ZINC001203369440 812329166 /nfs/dbraw/zinc/32/91/66/812329166.db2.gz QCJYLFSLBQZGAF-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO Cc1ccc(-n2ccc3c2cc(C#N)cc3N)c(C)[nH+]1 ZINC001203374968 812330674 /nfs/dbraw/zinc/33/06/74/812330674.db2.gz QYLDZRRRYAVLBB-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C)CC#N ZINC001203522167 812381643 /nfs/dbraw/zinc/38/16/43/812381643.db2.gz PCHFGXAOQMAJMI-LLVKDONJSA-N 1 2 288.782 3.226 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(C)c1C ZINC001203726169 812443013 /nfs/dbraw/zinc/44/30/13/812443013.db2.gz ZPNOBVRWTGUAPU-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(C)c1C ZINC001203726169 812443017 /nfs/dbraw/zinc/44/30/17/812443017.db2.gz ZPNOBVRWTGUAPU-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO C#Cc1cc(Nc2cc(COC)ccc2Cl)cc[nH+]1 ZINC001215594163 815543898 /nfs/dbraw/zinc/54/38/98/815543898.db2.gz OMPBJDXQRHHTMS-UHFFFAOYSA-N 1 2 272.735 3.028 20 30 CGEDLO CC(C)(C#N)c1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204958903 812796556 /nfs/dbraw/zinc/79/65/56/812796556.db2.gz CZIWCOQYIPWDHV-UHFFFAOYSA-N 1 2 277.331 3.274 20 30 CGEDLO C=C(C)C[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OC ZINC001207128990 813493066 /nfs/dbraw/zinc/49/30/66/813493066.db2.gz IXSALRBEZYSUOP-HOCLYGCPSA-N 1 2 275.392 3.278 20 30 CGEDLO Cc1ccc(CCC[NH+]2CC(Oc3ccccc3C#N)C2)o1 ZINC001207947338 813676223 /nfs/dbraw/zinc/67/62/23/813676223.db2.gz AOMHRDIEOYRAPH-UHFFFAOYSA-N 1 2 296.370 3.156 20 30 CGEDLO C#CCCC[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001209267951 813989385 /nfs/dbraw/zinc/98/93/85/813989385.db2.gz OKVOBXCWUFXYOV-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001209267951 813989391 /nfs/dbraw/zinc/98/93/91/813989391.db2.gz OKVOBXCWUFXYOV-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO CCOc1cc(Nc2ccc(C#N)cc2OC)cc(C)[nH+]1 ZINC001209272050 813991427 /nfs/dbraw/zinc/99/14/27/813991427.db2.gz IFLGFGFGUPLQJP-UHFFFAOYSA-N 1 2 283.331 3.413 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(OC)c2Cl)cc[nH+]1 ZINC001209799964 814145898 /nfs/dbraw/zinc/14/58/98/814145898.db2.gz HQHROOGGEDSBFU-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO COc1cccc(Nc2cc[nH+]c(SC)c2)c1C#N ZINC001210123953 814300226 /nfs/dbraw/zinc/30/02/26/814300226.db2.gz CNDGPJYELWSHGH-UHFFFAOYSA-N 1 2 271.345 3.427 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001242745293 823120519 /nfs/dbraw/zinc/12/05/19/823120519.db2.gz MCXGNJOKHCYQTE-NSHDSACASA-N 1 2 252.317 3.459 20 30 CGEDLO N#Cc1cc(Nc2cccc(-n3cc[nH+]c3)c2)ccc1O ZINC001210529462 814510923 /nfs/dbraw/zinc/51/09/23/814510923.db2.gz IXHLGAJIEBHMIW-UHFFFAOYSA-N 1 2 276.299 3.193 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2ccc(O)c(C#N)c2)cc1 ZINC001210535926 814513992 /nfs/dbraw/zinc/51/39/92/814513992.db2.gz KBOOSOXXAUYKGZ-UHFFFAOYSA-N 1 2 267.332 3.464 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2ccc(O)c(C#N)c2)cc1 ZINC001210535926 814513994 /nfs/dbraw/zinc/51/39/94/814513994.db2.gz KBOOSOXXAUYKGZ-UHFFFAOYSA-N 1 2 267.332 3.464 20 30 CGEDLO C#Cc1cc(Nc2cccc(SC)c2F)cc[nH+]1 ZINC001215867054 815617553 /nfs/dbraw/zinc/61/75/53/815617553.db2.gz PYNOOLVAQRHYQP-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO COc1cc(Nc2cc(F)c(C#N)cc2F)cc(C)[nH+]1 ZINC001210780579 814625216 /nfs/dbraw/zinc/62/52/16/814625216.db2.gz UVDOKFHKHXCJQR-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO COc1cc(Nc2cccc(C#N)c2F)cc(C)[nH+]1 ZINC001210780539 814625647 /nfs/dbraw/zinc/62/56/47/814625647.db2.gz DJMFKAIJOZSCRW-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO C#Cc1ccc(Nc2cc(C)[nH+]c(OC)c2)cc1F ZINC001210783671 814627533 /nfs/dbraw/zinc/62/75/33/814627533.db2.gz IYCSHLHMLJPFQD-UHFFFAOYSA-N 1 2 256.280 3.263 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001221744384 816325920 /nfs/dbraw/zinc/32/59/20/816325920.db2.gz QPFAQKFOFDQQQU-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001221744384 816325928 /nfs/dbraw/zinc/32/59/28/816325928.db2.gz QPFAQKFOFDQQQU-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC001231972175 818219111 /nfs/dbraw/zinc/21/91/11/818219111.db2.gz HJOXHZJIJUAASN-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC001231972175 818219119 /nfs/dbraw/zinc/21/91/19/818219119.db2.gz HJOXHZJIJUAASN-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@H+](Cc1cnc(-c2cccnc2)o1)C1CCCC1 ZINC001232139466 818261738 /nfs/dbraw/zinc/26/17/38/818261738.db2.gz ONUIXHHDMBNISA-UHFFFAOYSA-N 1 2 296.374 3.395 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc(-c2cccnc2)o1)C1CCCC1 ZINC001232139466 818261744 /nfs/dbraw/zinc/26/17/44/818261744.db2.gz ONUIXHHDMBNISA-UHFFFAOYSA-N 1 2 296.374 3.395 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(C)c(F)c1 ZINC001232423534 818346844 /nfs/dbraw/zinc/34/68/44/818346844.db2.gz QRBQXPOYKRWDIH-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(C)c(F)c1 ZINC001232423534 818346849 /nfs/dbraw/zinc/34/68/49/818346849.db2.gz QRBQXPOYKRWDIH-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO CCCCCCCC[N@H+](C)Cc1c(OC)ncnc1OC ZINC001232516084 818376543 /nfs/dbraw/zinc/37/65/43/818376543.db2.gz PGVNBUZKLZOIAU-UHFFFAOYSA-N 1 2 295.427 3.286 20 30 CGEDLO CCCCCCCC[N@@H+](C)Cc1c(OC)ncnc1OC ZINC001232516084 818376547 /nfs/dbraw/zinc/37/65/47/818376547.db2.gz PGVNBUZKLZOIAU-UHFFFAOYSA-N 1 2 295.427 3.286 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC(F)(F)C3)CC2)c1 ZINC001232676081 818417053 /nfs/dbraw/zinc/41/70/53/818417053.db2.gz YHJCZVITZJBLCA-UHFFFAOYSA-N 1 2 292.329 3.275 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC001232680997 818419030 /nfs/dbraw/zinc/41/90/30/818419030.db2.gz JRGLQYVSVQNTHK-UHFFFAOYSA-N 1 2 270.376 3.420 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001232680997 818419033 /nfs/dbraw/zinc/41/90/33/818419033.db2.gz JRGLQYVSVQNTHK-UHFFFAOYSA-N 1 2 270.376 3.420 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(O)c(F)c(F)c1)C1CCCC1 ZINC001232970248 818487160 /nfs/dbraw/zinc/48/71/60/818487160.db2.gz CYEQPAHJGKELTG-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO N#CCC[N@H+](Cc1cc(O)c(F)c(F)c1)C1CCCC1 ZINC001232970248 818487164 /nfs/dbraw/zinc/48/71/64/818487164.db2.gz CYEQPAHJGKELTG-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001233043950 818508915 /nfs/dbraw/zinc/50/89/15/818508915.db2.gz JBCKQNAADJRVDS-UHFFFAOYSA-N 1 2 299.349 3.069 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(F)c1F ZINC001235451015 819103226 /nfs/dbraw/zinc/10/32/26/819103226.db2.gz MRGSWGQVNWWAKE-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(F)c1F ZINC001235451015 819103228 /nfs/dbraw/zinc/10/32/28/819103228.db2.gz MRGSWGQVNWWAKE-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO CCCOC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235657073 819130111 /nfs/dbraw/zinc/13/01/11/819130111.db2.gz KCSZYKNZIZEFRN-UHFFFAOYSA-N 1 2 294.345 3.227 20 30 CGEDLO N#Cc1cc(F)c(C[NH+]2CC(c3ccccc3)C2)c(F)c1 ZINC001235665933 819132626 /nfs/dbraw/zinc/13/26/26/819132626.db2.gz ZOJJIDVGUSEITF-UHFFFAOYSA-N 1 2 284.309 3.436 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(C2=CCSCC2)cc1C#N ZINC001236370979 819440478 /nfs/dbraw/zinc/44/04/78/819440478.db2.gz ZEPTYPYNRLMDOB-GZTJUZNOSA-N 1 2 271.389 3.300 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237074517 819660468 /nfs/dbraw/zinc/66/04/68/819660468.db2.gz RAAFVCDXKGQCCQ-ZDUSSCGKSA-N 1 2 266.344 3.281 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237074517 819660473 /nfs/dbraw/zinc/66/04/73/819660473.db2.gz RAAFVCDXKGQCCQ-ZDUSSCGKSA-N 1 2 266.344 3.281 20 30 CGEDLO COc1ccc2c(c1)[nH]nc2C[N@H+](CCC#N)C1CCCC1 ZINC001237387620 819740071 /nfs/dbraw/zinc/74/00/71/819740071.db2.gz GSTITRGFZBQNID-UHFFFAOYSA-N 1 2 298.390 3.230 20 30 CGEDLO COc1ccc2c(c1)[nH]nc2C[N@@H+](CCC#N)C1CCCC1 ZINC001237387620 819740073 /nfs/dbraw/zinc/74/00/73/819740073.db2.gz GSTITRGFZBQNID-UHFFFAOYSA-N 1 2 298.390 3.230 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237622022 819789143 /nfs/dbraw/zinc/78/91/43/819789143.db2.gz LVJMMOKXZQMJNY-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237622022 819789148 /nfs/dbraw/zinc/78/91/48/819789148.db2.gz LVJMMOKXZQMJNY-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001237752030 819837333 /nfs/dbraw/zinc/83/73/33/819837333.db2.gz BQCROMYZFIVJEF-ZDUSSCGKSA-N 1 2 296.798 3.241 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(OC)ccc1C(F)(F)F ZINC001238055995 819918516 /nfs/dbraw/zinc/91/85/16/819918516.db2.gz UUKMHEBIQKTYCO-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)ccc1C(F)(F)F ZINC001238055995 819918523 /nfs/dbraw/zinc/91/85/23/819918523.db2.gz UUKMHEBIQKTYCO-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cnc1F ZINC001238601647 820056982 /nfs/dbraw/zinc/05/69/82/820056982.db2.gz VMTIKRDHHLJQLG-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cnc1F ZINC001238601647 820056992 /nfs/dbraw/zinc/05/69/92/820056992.db2.gz VMTIKRDHHLJQLG-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238654598 820070439 /nfs/dbraw/zinc/07/04/39/820070439.db2.gz YNPAVUPJNXATRZ-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238654598 820070447 /nfs/dbraw/zinc/07/04/47/820070447.db2.gz YNPAVUPJNXATRZ-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO Cc1cc(-c2ccc(OCC#N)cc2)c2[nH+]ccn2c1 ZINC001243591909 823459288 /nfs/dbraw/zinc/45/92/88/823459288.db2.gz BPEPZCNQYOUWRF-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO Cc1c(-c2ccc(C#N)c(F)c2)ccc2[nH+]ccn21 ZINC001240161990 820866464 /nfs/dbraw/zinc/86/64/64/820866464.db2.gz BGYCCDMCAOKOTR-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO O/N=C1/CCc2cc(-c3ccc4[nH+]ccn4c3)ccc21 ZINC001240218462 820891536 /nfs/dbraw/zinc/89/15/36/820891536.db2.gz DHKDOKXIQCVGAA-SDXDJHTJSA-N 1 2 263.300 3.126 20 30 CGEDLO N#Cc1ccc(C(F)(F)F)nc1-c1ccn2cc[nH+]c2c1 ZINC001240496273 821091870 /nfs/dbraw/zinc/09/18/70/821091870.db2.gz KTJUIINIAMKVQQ-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1N ZINC001240964713 821450722 /nfs/dbraw/zinc/45/07/22/821450722.db2.gz XMCZPWCZDBETQA-RGVLZGJSSA-N 1 2 278.359 3.337 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1nc2c(cc1C#N)CCCC2 ZINC001241235944 821658320 /nfs/dbraw/zinc/65/83/20/821658320.db2.gz WNILPQOMRUHMCF-UHFFFAOYSA-N 1 2 292.386 3.269 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1ncc(C#N)c2ccsc21 ZINC001242077342 822336397 /nfs/dbraw/zinc/33/63/97/822336397.db2.gz DOXTWUUTWIFSFU-UHFFFAOYSA-N 1 2 266.329 3.121 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001242089523 822344312 /nfs/dbraw/zinc/34/43/12/822344312.db2.gz BKGUUDDJAOJSLC-CGOBSMCZSA-N 1 2 295.264 3.466 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2ccc(O)c(C#N)c2)c1 ZINC001242565527 823036272 /nfs/dbraw/zinc/03/62/72/823036272.db2.gz IVPRKWLADJSBDP-UHFFFAOYSA-N 1 2 275.311 3.331 20 30 CGEDLO C=CCC1(C(=O)OCCc2cn3c([nH+]2)CCCC3)CCC1 ZINC001346112643 936838450 /nfs/dbraw/zinc/83/84/50/936838450.db2.gz UYOQUFRNXBWDMS-UHFFFAOYSA-N 1 2 288.391 3.052 20 30 CGEDLO C=C(C)c1cccc(NC(=O)CCc2[nH+]ccn2C)c1 ZINC001348544796 936926216 /nfs/dbraw/zinc/92/62/16/936926216.db2.gz AHFNPPOYFLXPGK-UHFFFAOYSA-N 1 2 269.348 3.025 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001349637700 936955378 /nfs/dbraw/zinc/95/53/78/936955378.db2.gz XUPFHZIXSZFFGK-LLVKDONJSA-N 1 2 257.362 3.202 20 30 CGEDLO C[C@@H](CC(=O)Nc1ccc(C#N)cc1C1CC1)n1cc[nH+]c1 ZINC001349885448 936967575 /nfs/dbraw/zinc/96/75/75/936967575.db2.gz HCFWMALFVDECNM-LBPRGKRZSA-N 1 2 294.358 3.222 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001351065819 937007019 /nfs/dbraw/zinc/00/70/19/937007019.db2.gz SLKSUXLKCWVVHS-UHFFFAOYSA-N 1 2 273.311 3.162 20 30 CGEDLO C#CCOc1ccccc1CNc1cc(CC)[nH+]c(CC)n1 ZINC001472698421 937105209 /nfs/dbraw/zinc/10/52/09/937105209.db2.gz RCZNSPDQUQAUPO-UHFFFAOYSA-N 1 2 295.386 3.226 20 30 CGEDLO Cc1cc(C)[nH+]c(CN2CCCC(C)(C)[C@H]2C#N)c1 ZINC001354710896 937111005 /nfs/dbraw/zinc/11/10/05/937111005.db2.gz BCUGOOBVLSNDBG-OAHLLOKOSA-N 1 2 257.381 3.213 20 30 CGEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001437616051 937296047 /nfs/dbraw/zinc/29/60/47/937296047.db2.gz HMPYEKLGFRIRLI-KBPBESRZSA-N 1 2 283.375 3.199 20 30 CGEDLO C#CCC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001439610834 937319758 /nfs/dbraw/zinc/31/97/58/937319758.db2.gz ALCDBZDOSIINSX-UHFFFAOYSA-N 1 2 295.386 3.099 20 30 CGEDLO CC(C)C#CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001442514895 937343002 /nfs/dbraw/zinc/34/30/02/937343002.db2.gz GBIPXIBCRKLNTB-UHFFFAOYSA-N 1 2 287.750 3.124 20 30 CGEDLO Cc1csc(NC(=O)c2ccn3c(C)c[nH+]c3c2)c1C#N ZINC001459927958 937506500 /nfs/dbraw/zinc/50/65/00/937506500.db2.gz YUXZZCXXWMMZPD-UHFFFAOYSA-N 1 2 296.355 3.137 20 30 CGEDLO Cc1ccc(C)c(Nc2cc(C#N)cc([N+](=O)[O-])c2)[nH+]1 ZINC001211329246 932012513 /nfs/dbraw/zinc/01/25/13/932012513.db2.gz UFCZSNJFRBWXHG-UHFFFAOYSA-N 1 2 268.276 3.222 20 30 CGEDLO Cc1nc(OC2CC2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768931 932482308 /nfs/dbraw/zinc/48/23/08/932482308.db2.gz PCJNOJPHCVURFE-UHFFFAOYSA-N 1 2 290.326 3.118 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001462000215 937611914 /nfs/dbraw/zinc/61/19/14/937611914.db2.gz MEUQFFLGLPTLBB-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001462000215 937611916 /nfs/dbraw/zinc/61/19/16/937611916.db2.gz MEUQFFLGLPTLBB-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(O[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001231081771 932675049 /nfs/dbraw/zinc/67/50/49/932675049.db2.gz LYAXXMDFVGNYOE-IUODEOHRSA-N 1 2 267.332 3.158 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2nc(Cl)cs2)s1 ZINC001462353642 937631614 /nfs/dbraw/zinc/63/16/14/937631614.db2.gz AVHDUWUWZRLLTG-UHFFFAOYSA-N 1 2 269.782 3.019 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001307617738 932977764 /nfs/dbraw/zinc/97/77/64/932977764.db2.gz GBNLAYKEOJAKOT-BDJLRTHQSA-N 1 2 289.329 3.449 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001307617771 932977932 /nfs/dbraw/zinc/97/79/32/932977932.db2.gz GBNLAYKEOJAKOT-ZBEGNZNMSA-N 1 2 289.329 3.449 20 30 CGEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC001308096689 933047406 /nfs/dbraw/zinc/04/74/06/933047406.db2.gz QZZJLAXAXVMYDU-UHFFFAOYSA-N 1 2 266.728 3.092 20 30 CGEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC001308096689 933047409 /nfs/dbraw/zinc/04/74/09/933047409.db2.gz QZZJLAXAXVMYDU-UHFFFAOYSA-N 1 2 266.728 3.092 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@H](C)c1cc(F)cc(F)c1)C(=O)OC ZINC001308901687 933199374 /nfs/dbraw/zinc/19/93/74/933199374.db2.gz MICOYJBFXVXCBX-NHYWBVRUSA-N 1 2 297.345 3.166 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001308916670 933203242 /nfs/dbraw/zinc/20/32/42/933203242.db2.gz CMXDOIDUUFDNTA-BBRMVZONSA-N 1 2 293.382 3.417 20 30 CGEDLO Fc1cc(N[NH+]=Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001319963936 933968149 /nfs/dbraw/zinc/96/81/49/933968149.db2.gz MTKWYXNDLZITLZ-UHFFFAOYSA-N 1 2 284.338 3.267 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](CC)Cc1ccc(C)cc1)C(=O)OCC ZINC001320786034 934103323 /nfs/dbraw/zinc/10/33/23/934103323.db2.gz FGQZRTARFLTALL-DLBZAZTESA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)CC(C)C ZINC001322274638 934268481 /nfs/dbraw/zinc/26/84/81/934268481.db2.gz PBMNXOQPUKUMRE-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)CC(C)C ZINC001322274638 934268490 /nfs/dbraw/zinc/26/84/90/934268490.db2.gz PBMNXOQPUKUMRE-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO CC#CC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001473289276 937800584 /nfs/dbraw/zinc/80/05/84/937800584.db2.gz XTBXZOFQCUIISM-LLVKDONJSA-N 1 2 278.193 3.219 20 30 CGEDLO CC#CC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001473289276 937800586 /nfs/dbraw/zinc/80/05/86/937800586.db2.gz XTBXZOFQCUIISM-LLVKDONJSA-N 1 2 278.193 3.219 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1Cl)C(=O)OCC ZINC001326380793 934975859 /nfs/dbraw/zinc/97/58/59/934975859.db2.gz KZPIUVGKBDRADY-SWLSCSKDSA-N 1 2 295.810 3.368 20 30 CGEDLO C=CCC1(O)CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC001333422001 935534832 /nfs/dbraw/zinc/53/48/32/935534832.db2.gz FONAJVLTALRKJE-UHFFFAOYSA-N 1 2 282.387 3.451 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)c(F)c1O)C1CCCCC1 ZINC001474339368 937852650 /nfs/dbraw/zinc/85/26/50/937852650.db2.gz PTZMIWOFFCVNRW-UHFFFAOYSA-N 1 2 279.330 3.438 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)c(F)c1O)C1CCCCC1 ZINC001474339368 937852652 /nfs/dbraw/zinc/85/26/52/937852652.db2.gz PTZMIWOFFCVNRW-UHFFFAOYSA-N 1 2 279.330 3.438 20 30 CGEDLO CSc1cccc(F)c1C[NH2+]Cc1cccc(C#N)n1 ZINC001474515704 937864351 /nfs/dbraw/zinc/86/43/51/937864351.db2.gz YTTRTPYHDMECBO-UHFFFAOYSA-N 1 2 287.363 3.104 20 30 CGEDLO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001494899634 937957314 /nfs/dbraw/zinc/95/73/14/937957314.db2.gz HHJCIZQHSZMLNI-AWEZNQCLSA-N 1 2 298.858 3.264 20 30 CGEDLO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494899634 937957315 /nfs/dbraw/zinc/95/73/15/937957315.db2.gz HHJCIZQHSZMLNI-AWEZNQCLSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001505996584 937988680 /nfs/dbraw/zinc/98/86/80/937988680.db2.gz JLITWDZZKNCNKC-STQMWFEESA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001505996584 937988681 /nfs/dbraw/zinc/98/86/81/937988681.db2.gz JLITWDZZKNCNKC-STQMWFEESA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)C(C)=C1CCC1)C(C)C ZINC001507788757 937997042 /nfs/dbraw/zinc/99/70/42/937997042.db2.gz VTJXDAGNDMQOEH-UHFFFAOYSA-N 1 2 298.858 3.408 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)C(C)=C1CCC1)C(C)C ZINC001507788757 937997043 /nfs/dbraw/zinc/99/70/43/937997043.db2.gz VTJXDAGNDMQOEH-UHFFFAOYSA-N 1 2 298.858 3.408 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001543390686 938139147 /nfs/dbraw/zinc/13/91/47/938139147.db2.gz AJBFMXJYWBQDLJ-CYBMUJFWSA-N 1 2 279.428 3.373 20 30 CGEDLO C=C[C@H](CC)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001545562935 938149913 /nfs/dbraw/zinc/14/99/13/938149913.db2.gz DSJAVBKIOMFRPQ-LLVKDONJSA-N 1 2 257.337 3.412 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C)cc(C)n1 ZINC001559513568 938228111 /nfs/dbraw/zinc/22/81/11/938228111.db2.gz COMFPAIVGRTKHF-UHFFFAOYSA-N 1 2 282.362 3.473 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)cc(C)n1 ZINC001559513568 938228112 /nfs/dbraw/zinc/22/81/12/938228112.db2.gz COMFPAIVGRTKHF-UHFFFAOYSA-N 1 2 282.362 3.473 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(F)cc1 ZINC001560657080 938267976 /nfs/dbraw/zinc/26/79/76/938267976.db2.gz APHBAOSORFJJJP-UHFFFAOYSA-N 1 2 297.377 3.383 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(F)cc1 ZINC001560657080 938267977 /nfs/dbraw/zinc/26/79/77/938267977.db2.gz APHBAOSORFJJJP-UHFFFAOYSA-N 1 2 297.377 3.383 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(Cl)cc1F ZINC001560825323 938277931 /nfs/dbraw/zinc/27/79/31/938277931.db2.gz JCELWMXURJBNCA-AWEZNQCLSA-N 1 2 290.725 3.044 20 30 CGEDLO CC(=O)Nc1c(C)cc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001158785391 958832475 /nfs/dbraw/zinc/83/24/75/958832475.db2.gz UOJYZQMHHSOKKJ-UHFFFAOYSA-N 1 2 298.390 3.377 20 30 CGEDLO CC(C)n1cc[nH+]c1CNc1ccc(F)c(C#N)c1 ZINC000124377618 187134662 /nfs/dbraw/zinc/13/46/62/187134662.db2.gz GGOZTPWRRNBJLQ-UHFFFAOYSA-N 1 2 258.300 3.087 20 30 CGEDLO N#Cc1c(F)cccc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000589820516 346812729 /nfs/dbraw/zinc/81/27/29/346812729.db2.gz USSGNWNCGGFAES-HNNXBMFYSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CC(Cc2ccccc2)C1 ZINC000589988418 346820153 /nfs/dbraw/zinc/82/01/53/346820153.db2.gz DBXLUROIUBSUFO-UHFFFAOYSA-N 1 2 280.346 3.372 20 30 CGEDLO COc1ccc(-c2cc(C[N@H+](C)CC(C)(C)C#N)on2)cc1 ZINC000590123117 346828947 /nfs/dbraw/zinc/82/89/47/346828947.db2.gz IMWATXFCRMBCGQ-UHFFFAOYSA-N 1 2 299.374 3.332 20 30 CGEDLO COc1ccc(-c2cc(C[N@@H+](C)CC(C)(C)C#N)on2)cc1 ZINC000590123117 346828953 /nfs/dbraw/zinc/82/89/53/346828953.db2.gz IMWATXFCRMBCGQ-UHFFFAOYSA-N 1 2 299.374 3.332 20 30 CGEDLO Cc1ccc(C#N)nc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000590568779 346851802 /nfs/dbraw/zinc/85/18/02/346851802.db2.gz CIVSWBGLPKTYLR-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OCC ZINC000590661564 346861595 /nfs/dbraw/zinc/86/15/95/346861595.db2.gz WSGIAUIIGZUAAW-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1csnn1 ZINC000591256104 346912483 /nfs/dbraw/zinc/91/24/83/346912483.db2.gz IBQHTYSMFWECSL-IINYFYTJSA-N 1 2 284.388 3.138 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1csc(C)n1)c1ccccc1 ZINC000270155110 190605351 /nfs/dbraw/zinc/60/53/51/190605351.db2.gz DQHPTAPLEDVVLN-HNNXBMFYSA-N 1 2 256.374 3.306 20 30 CGEDLO Cc1cccc(CC2CN(c3cc(C)[nH+]cc3C#N)C2)c1 ZINC000591821709 346939962 /nfs/dbraw/zinc/93/99/62/346939962.db2.gz YBWZOFLSOQSYBA-UHFFFAOYSA-N 1 2 277.371 3.249 20 30 CGEDLO Cc1cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823096 346939559 /nfs/dbraw/zinc/93/95/59/346939559.db2.gz SXUNUYCFLYSDDZ-SJLPKXTDSA-N 1 2 293.370 3.016 20 30 CGEDLO C[C@H]1CCCC[C@H]1OCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122381 347043025 /nfs/dbraw/zinc/04/30/25/347043025.db2.gz QINGSTSVSARHBW-KBXCAEBGSA-N 1 2 284.403 3.469 20 30 CGEDLO C[C@H]1CCCC[C@H]1OCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122381 347043027 /nfs/dbraw/zinc/04/30/27/347043027.db2.gz QINGSTSVSARHBW-KBXCAEBGSA-N 1 2 284.403 3.469 20 30 CGEDLO N#Cc1c(F)cccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000007128705 344867182 /nfs/dbraw/zinc/86/71/82/344867182.db2.gz NGDOTZPBUKMYSU-UHFFFAOYSA-N 1 2 280.306 3.228 20 30 CGEDLO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893468 345224176 /nfs/dbraw/zinc/22/41/76/345224176.db2.gz MDYOTMYTLIOOFG-UHFFFAOYSA-N 1 2 299.418 3.158 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000066470494 345296592 /nfs/dbraw/zinc/29/65/92/345296592.db2.gz WTCIHDVPHVIHQT-LLVKDONJSA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000066470494 345296594 /nfs/dbraw/zinc/29/65/94/345296594.db2.gz WTCIHDVPHVIHQT-LLVKDONJSA-N 1 2 286.297 3.219 20 30 CGEDLO Cc1cccn2cc(CNc3cccc(C#N)c3)[nH+]c12 ZINC000078514340 345611873 /nfs/dbraw/zinc/61/18/73/345611873.db2.gz GOEAHRUWRIJLSX-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000080346711 345672227 /nfs/dbraw/zinc/67/22/27/345672227.db2.gz ZMSMUPMJROXXGN-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO Cc1nc(C2([NH2+]Cc3cccc(C#N)c3)CCCCC2)no1 ZINC000138830322 346097447 /nfs/dbraw/zinc/09/74/47/346097447.db2.gz QINYZQUFYQMFLT-UHFFFAOYSA-N 1 2 296.374 3.199 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000593568513 347091620 /nfs/dbraw/zinc/09/16/20/347091620.db2.gz IRSGCFLFDSVOCA-CQSZACIVSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)C[C@H](C)C#N ZINC000593568513 347091623 /nfs/dbraw/zinc/09/16/23/347091623.db2.gz IRSGCFLFDSVOCA-CQSZACIVSA-N 1 2 282.391 3.081 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)CCCC1 ZINC000593653800 347100021 /nfs/dbraw/zinc/10/00/21/347100021.db2.gz ZDOYVLHNTOYNER-UHFFFAOYSA-N 1 2 280.375 3.046 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000372836325 346552778 /nfs/dbraw/zinc/55/27/78/346552778.db2.gz HWMVCEWYZBPJIM-CQSZACIVSA-N 1 2 283.318 3.237 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000372836325 346552784 /nfs/dbraw/zinc/55/27/84/346552784.db2.gz HWMVCEWYZBPJIM-CQSZACIVSA-N 1 2 283.318 3.237 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000584728827 346710919 /nfs/dbraw/zinc/71/09/19/346710919.db2.gz XQEBFQNUSUCJDH-SNVBAGLBSA-N 1 2 251.399 3.222 20 30 CGEDLO CCc1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594032862 347140981 /nfs/dbraw/zinc/14/09/81/347140981.db2.gz BDKOCJBYAJCECT-UHFFFAOYSA-N 1 2 298.415 3.141 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000594710467 347212141 /nfs/dbraw/zinc/21/21/41/347212141.db2.gz LQXUEXPABBPSKZ-ZIAGYGMSSA-N 1 2 281.783 3.498 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000594599567 347199167 /nfs/dbraw/zinc/19/91/67/347199167.db2.gz BAUWIOZQXFOABH-GFCCVEGCSA-N 1 2 286.354 3.054 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@H](C)CC#N ZINC000594599567 347199170 /nfs/dbraw/zinc/19/91/70/347199170.db2.gz BAUWIOZQXFOABH-GFCCVEGCSA-N 1 2 286.354 3.054 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCCCC#N ZINC000594354247 347170756 /nfs/dbraw/zinc/17/07/56/347170756.db2.gz VYFGNXJZHTTWQW-AWEZNQCLSA-N 1 2 288.395 3.041 20 30 CGEDLO C=CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595289998 347287520 /nfs/dbraw/zinc/28/75/20/347287520.db2.gz SCNQHJMLJGCVGK-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595289998 347287524 /nfs/dbraw/zinc/28/75/24/347287524.db2.gz SCNQHJMLJGCVGK-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)o1 ZINC000595296915 347288568 /nfs/dbraw/zinc/28/85/68/347288568.db2.gz NWHXYRILLBDJON-UHFFFAOYSA-N 1 2 281.359 3.328 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)o1 ZINC000595296915 347288571 /nfs/dbraw/zinc/28/85/71/347288571.db2.gz NWHXYRILLBDJON-UHFFFAOYSA-N 1 2 281.359 3.328 20 30 CGEDLO COC(=O)c1coc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595091677 347280971 /nfs/dbraw/zinc/28/09/71/347280971.db2.gz TVHDRVHKWSEZIS-LBPRGKRZSA-N 1 2 290.363 3.191 20 30 CGEDLO CC(C)(C)c1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595643636 347332504 /nfs/dbraw/zinc/33/25/04/347332504.db2.gz XWZBMRXNLULDHH-UHFFFAOYSA-N 1 2 298.390 3.264 20 30 CGEDLO C[C@H](C#N)[N@@H+](CC[C@H](C)OCc1ccccc1)C1CC1 ZINC000595709902 347344530 /nfs/dbraw/zinc/34/45/30/347344530.db2.gz KAOXNYBHDAXKRZ-CABCVRRESA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@H](C#N)[N@H+](CC[C@H](C)OCc1ccccc1)C1CC1 ZINC000595709902 347344533 /nfs/dbraw/zinc/34/45/33/347344533.db2.gz KAOXNYBHDAXKRZ-CABCVRRESA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC000595816252 347359488 /nfs/dbraw/zinc/35/94/88/347359488.db2.gz VEQDPPDZXQTMRW-CQSZACIVSA-N 1 2 270.376 3.092 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC000595816252 347359490 /nfs/dbraw/zinc/35/94/90/347359490.db2.gz VEQDPPDZXQTMRW-CQSZACIVSA-N 1 2 270.376 3.092 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000595840159 347365306 /nfs/dbraw/zinc/36/53/06/347365306.db2.gz ODMBOPVEOOWYGQ-CQSZACIVSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000595840159 347365308 /nfs/dbraw/zinc/36/53/08/347365308.db2.gz ODMBOPVEOOWYGQ-CQSZACIVSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000595842105 347365578 /nfs/dbraw/zinc/36/55/78/347365578.db2.gz YJASMYUQJQKLOW-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000595842105 347365581 /nfs/dbraw/zinc/36/55/81/347365581.db2.gz YJASMYUQJQKLOW-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000595841635 347365820 /nfs/dbraw/zinc/36/58/20/347365820.db2.gz MXWVTOFLKQIZRB-CYBMUJFWSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000595841635 347365822 /nfs/dbraw/zinc/36/58/22/347365822.db2.gz MXWVTOFLKQIZRB-CYBMUJFWSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595843878 347366433 /nfs/dbraw/zinc/36/64/33/347366433.db2.gz DDIUYZDGRLVCSK-CYBMUJFWSA-N 1 2 294.354 3.219 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595843878 347366438 /nfs/dbraw/zinc/36/64/38/347366438.db2.gz DDIUYZDGRLVCSK-CYBMUJFWSA-N 1 2 294.354 3.219 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C(=O)OCC)n1 ZINC000595844418 347367191 /nfs/dbraw/zinc/36/71/91/347367191.db2.gz DQCKOTHDSWWRNT-BETUJISGSA-N 1 2 292.404 3.003 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C(=O)OCC)n1 ZINC000595844418 347367193 /nfs/dbraw/zinc/36/71/93/347367193.db2.gz DQCKOTHDSWWRNT-BETUJISGSA-N 1 2 292.404 3.003 20 30 CGEDLO N#CCCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595845753 347367232 /nfs/dbraw/zinc/36/72/32/347367232.db2.gz QNFKTQPRKJBVQX-CYBMUJFWSA-N 1 2 279.181 3.500 20 30 CGEDLO N#CCCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000595845753 347367233 /nfs/dbraw/zinc/36/72/33/347367233.db2.gz QNFKTQPRKJBVQX-CYBMUJFWSA-N 1 2 279.181 3.500 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887342 347370227 /nfs/dbraw/zinc/37/02/27/347370227.db2.gz RQOPXBDGIVBWSU-FZMZJTMJSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887342 347370230 /nfs/dbraw/zinc/37/02/30/347370230.db2.gz RQOPXBDGIVBWSU-FZMZJTMJSA-N 1 2 298.308 3.272 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000596598091 347486068 /nfs/dbraw/zinc/48/60/68/347486068.db2.gz AMULJMFWANPORC-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000596598091 347486070 /nfs/dbraw/zinc/48/60/70/347486070.db2.gz AMULJMFWANPORC-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO C[N@H+](Cc1cscn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597001611 347526791 /nfs/dbraw/zinc/52/67/91/347526791.db2.gz XQKUICAVGIDEEW-UHFFFAOYSA-N 1 2 283.400 3.330 20 30 CGEDLO C[N@@H+](Cc1cscn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597001611 347526794 /nfs/dbraw/zinc/52/67/94/347526794.db2.gz XQKUICAVGIDEEW-UHFFFAOYSA-N 1 2 283.400 3.330 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230697 347559076 /nfs/dbraw/zinc/55/90/76/347559076.db2.gz IBGHSSPKUAAJBR-QGZVFWFLSA-N 1 2 298.365 3.055 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230697 347559080 /nfs/dbraw/zinc/55/90/80/347559080.db2.gz IBGHSSPKUAAJBR-QGZVFWFLSA-N 1 2 298.365 3.055 20 30 CGEDLO CCCCOc1cc(C[NH+]2CC(CC#N)C2)ccc1OC ZINC000597193851 347548712 /nfs/dbraw/zinc/54/87/12/347548712.db2.gz RKHIDVJDHONLDL-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO CC1(C#N)CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000599064112 347713523 /nfs/dbraw/zinc/71/35/23/347713523.db2.gz BQEPJSDSFZCGAU-UHFFFAOYSA-N 1 2 291.358 3.013 20 30 CGEDLO C=CCOCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599107374 347717361 /nfs/dbraw/zinc/71/73/61/347717361.db2.gz NRQGGUQLJJRTLY-UHFFFAOYSA-N 1 2 287.319 3.148 20 30 CGEDLO Cc1csc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677737 347765415 /nfs/dbraw/zinc/76/54/15/347765415.db2.gz DFHAIXCAAKTGOZ-UHFFFAOYSA-N 1 2 283.400 3.076 20 30 CGEDLO Cc1csc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677737 347765418 /nfs/dbraw/zinc/76/54/18/347765418.db2.gz DFHAIXCAAKTGOZ-UHFFFAOYSA-N 1 2 283.400 3.076 20 30 CGEDLO CC[N@@H+](Cc1ccc(F)c(F)c1N(C)C)C[C@H](C)C#N ZINC000600111985 347780514 /nfs/dbraw/zinc/78/05/14/347780514.db2.gz IOCZATZETKLLJF-LLVKDONJSA-N 1 2 281.350 3.012 20 30 CGEDLO CC[N@H+](Cc1ccc(F)c(F)c1N(C)C)C[C@H](C)C#N ZINC000600111985 347780517 /nfs/dbraw/zinc/78/05/17/347780517.db2.gz IOCZATZETKLLJF-LLVKDONJSA-N 1 2 281.350 3.012 20 30 CGEDLO C=CCCCC[N@@H+]1CCc2occc2[C@H]1C(=O)OCC ZINC000599544696 347752495 /nfs/dbraw/zinc/75/24/95/347752495.db2.gz JKOOUTQZTGIIMR-HNNXBMFYSA-N 1 2 277.364 3.098 20 30 CGEDLO C=CCCCC[N@H+]1CCc2occc2[C@H]1C(=O)OCC ZINC000599544696 347752498 /nfs/dbraw/zinc/75/24/98/347752498.db2.gz JKOOUTQZTGIIMR-HNNXBMFYSA-N 1 2 277.364 3.098 20 30 CGEDLO COC(=O)[C@]1([NH2+]CCC(C)(C)C#N)CCCC(C)(C)C1 ZINC000599559321 347754581 /nfs/dbraw/zinc/75/45/81/347754581.db2.gz UNRKCEYYSHVBLY-INIZCTEOSA-N 1 2 280.412 3.028 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000600113962 347780820 /nfs/dbraw/zinc/78/08/20/347780820.db2.gz BJXMGIFOFJDUAD-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC000600113962 347780824 /nfs/dbraw/zinc/78/08/24/347780824.db2.gz BJXMGIFOFJDUAD-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO N#Cc1c(F)cccc1-c1ccc(NC[C@@H]2CCCO2)[nH+]c1 ZINC000600792227 347837448 /nfs/dbraw/zinc/83/74/48/347837448.db2.gz XBLWXKKAWOZEGH-ZDUSSCGKSA-N 1 2 297.333 3.350 20 30 CGEDLO N#Cc1cc(F)cc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000601063703 347862121 /nfs/dbraw/zinc/86/21/21/347862121.db2.gz IMSYQLKKPYCYLE-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000602477433 347965246 /nfs/dbraw/zinc/96/52/46/347965246.db2.gz WRTUCBBIRJJMMN-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000602477433 347965247 /nfs/dbraw/zinc/96/52/47/347965247.db2.gz WRTUCBBIRJJMMN-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO CCN(CC)c1ccc(NC[C@H](C)CCC#N)c[nH+]1 ZINC000602574700 347985939 /nfs/dbraw/zinc/98/59/39/347985939.db2.gz LRVIFCBQGUGELG-CYBMUJFWSA-N 1 2 260.385 3.280 20 30 CGEDLO Cc1c(C#N)cccc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602591120 347990232 /nfs/dbraw/zinc/99/02/32/347990232.db2.gz LEMROHCXHQYTPL-OAHLLOKOSA-N 1 2 266.348 3.163 20 30 CGEDLO COC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccc(C)c(C)c1 ZINC000602624663 347995932 /nfs/dbraw/zinc/99/59/32/347995932.db2.gz LWMQXHQUVUZMAD-WBMJQRKESA-N 1 2 288.391 3.047 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3c(F)ccc(F)c3C2)CC1 ZINC000602785235 348028619 /nfs/dbraw/zinc/02/86/19/348028619.db2.gz ANIGDRIIGQCIIR-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3c(F)ccc(F)c3C2)CC1 ZINC000602785235 348028622 /nfs/dbraw/zinc/02/86/22/348028622.db2.gz ANIGDRIIGQCIIR-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000602859892 348037120 /nfs/dbraw/zinc/03/71/20/348037120.db2.gz BGAGIWAFYIBMRZ-CYBMUJFWSA-N 1 2 267.332 3.266 20 30 CGEDLO COc1ccccc1-c1nc(C[NH2+][C@H](C)CC#N)cs1 ZINC000602860568 348037346 /nfs/dbraw/zinc/03/73/46/348037346.db2.gz CBHYGKLKKXKUEY-LLVKDONJSA-N 1 2 287.388 3.210 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602864176 348038453 /nfs/dbraw/zinc/03/84/53/348038453.db2.gz QGGWPVMOMJOXKC-QWHCGFSZSA-N 1 2 273.380 3.029 20 30 CGEDLO C[N@H+](Cc1cccc(OC(C)(C)C)n1)[C@H]1CCC[C@H]1C#N ZINC000602980524 348050502 /nfs/dbraw/zinc/05/05/02/348050502.db2.gz QVHCIOUZUZUWPE-ZFWWWQNUSA-N 1 2 287.407 3.383 20 30 CGEDLO C[N@@H+](Cc1cccc(OC(C)(C)C)n1)[C@H]1CCC[C@H]1C#N ZINC000602980524 348050505 /nfs/dbraw/zinc/05/05/05/348050505.db2.gz QVHCIOUZUZUWPE-ZFWWWQNUSA-N 1 2 287.407 3.383 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(F)F ZINC000603430106 348082773 /nfs/dbraw/zinc/08/27/73/348082773.db2.gz SHWFYOVPWYQNCX-SNVBAGLBSA-N 1 2 252.308 3.231 20 30 CGEDLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000608982567 348334884 /nfs/dbraw/zinc/33/48/84/348334884.db2.gz ROYPVJXLMSSEQN-GFCCVEGCSA-N 1 2 276.343 3.285 20 30 CGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(C#N)c1 ZINC000611387487 348443919 /nfs/dbraw/zinc/44/39/19/348443919.db2.gz ANVNMDGWHKXOBB-NSHDSACASA-N 1 2 294.314 3.052 20 30 CGEDLO CCOc1ccccc1OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164733 348498997 /nfs/dbraw/zinc/49/89/97/348498997.db2.gz FXCLSVDMHMFKNA-QGZVFWFLSA-N 1 2 288.391 3.090 20 30 CGEDLO CCOc1ccccc1OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164733 348499001 /nfs/dbraw/zinc/49/90/01/348499001.db2.gz FXCLSVDMHMFKNA-QGZVFWFLSA-N 1 2 288.391 3.090 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612164981 348499309 /nfs/dbraw/zinc/49/93/09/348499309.db2.gz KCJCWCHBUPQXMY-YJBOKZPZSA-N 1 2 299.418 3.054 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612164981 348499310 /nfs/dbraw/zinc/49/93/10/348499310.db2.gz KCJCWCHBUPQXMY-YJBOKZPZSA-N 1 2 299.418 3.054 20 30 CGEDLO COc1ccc(-c2nc(C[NH2+]C[C@H](C)C#N)cs2)cc1 ZINC000612586550 348531123 /nfs/dbraw/zinc/53/11/23/348531123.db2.gz DZPBGKRIBBHKHA-LLVKDONJSA-N 1 2 287.388 3.068 20 30 CGEDLO N#Cc1ccc(CNc2[nH+]c3ccccc3n2C2CC2)s1 ZINC000613104266 348564842 /nfs/dbraw/zinc/56/48/42/348564842.db2.gz YKVKVCSBQDPUCU-UHFFFAOYSA-N 1 2 294.383 3.338 20 30 CGEDLO CCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000614168062 348654308 /nfs/dbraw/zinc/65/43/08/348654308.db2.gz OEWZJEOBYDHITE-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000614168062 348654309 /nfs/dbraw/zinc/65/43/09/348654309.db2.gz OEWZJEOBYDHITE-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000617039680 348904086 /nfs/dbraw/zinc/90/40/86/348904086.db2.gz KDAGPJPFPJUZPO-UKRRQHHQSA-N 1 2 283.375 3.199 20 30 CGEDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000339568601 215248750 /nfs/dbraw/zinc/24/87/50/215248750.db2.gz JUCSZGRIQXKCQQ-VHSXEESVSA-N 1 2 279.181 3.161 20 30 CGEDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000339568601 215248752 /nfs/dbraw/zinc/24/87/52/215248752.db2.gz JUCSZGRIQXKCQQ-VHSXEESVSA-N 1 2 279.181 3.161 20 30 CGEDLO CC/C=C\CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000619197045 349219665 /nfs/dbraw/zinc/21/96/65/349219665.db2.gz RNNTXSODFDFXFU-MYIWKSEUSA-N 1 2 262.397 3.270 20 30 CGEDLO CC/C=C\CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000619197045 349219668 /nfs/dbraw/zinc/21/96/68/349219668.db2.gz RNNTXSODFDFXFU-MYIWKSEUSA-N 1 2 262.397 3.270 20 30 CGEDLO Cc1cc(N)nc(S[C@H](C#N)c2ccc(Cl)cc2)[nH+]1 ZINC000619863919 349287578 /nfs/dbraw/zinc/28/75/78/349287578.db2.gz VVUYQOYSOPYKJE-LLVKDONJSA-N 1 2 290.779 3.208 20 30 CGEDLO C[C@@]1(C#N)CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000619489663 349253938 /nfs/dbraw/zinc/25/39/38/349253938.db2.gz BLLYBTXYHUZODF-INIZCTEOSA-N 1 2 267.332 3.070 20 30 CGEDLO C#CCCCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000153564698 188089569 /nfs/dbraw/zinc/08/95/69/188089569.db2.gz BFUDKKATDZAUAM-UHFFFAOYSA-N 1 2 296.374 3.012 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)s1 ZINC000273537853 192193218 /nfs/dbraw/zinc/19/32/18/192193218.db2.gz ADHZQBHTQSTOSS-JTQLQIEISA-N 1 2 291.807 3.202 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccsc2)O1 ZINC000245733116 138524661 /nfs/dbraw/zinc/52/46/61/138524661.db2.gz KCYIKFFPAAKNIL-NHYWBVRUSA-N 1 2 288.372 3.175 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccsc2)O1 ZINC000245733116 138524662 /nfs/dbraw/zinc/52/46/62/138524662.db2.gz KCYIKFFPAAKNIL-NHYWBVRUSA-N 1 2 288.372 3.175 20 30 CGEDLO Cc1cc(N(C)CCc2ccc(F)cc2)c(C#N)c[nH+]1 ZINC000425206846 236220041 /nfs/dbraw/zinc/22/00/41/236220041.db2.gz DFPYNDALKMLYCC-UHFFFAOYSA-N 1 2 269.323 3.080 20 30 CGEDLO Cc1cc(N2CCC(OCC3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000425237751 236222132 /nfs/dbraw/zinc/22/21/32/236222132.db2.gz SZCOYPVZZYWXOY-UHFFFAOYSA-N 1 2 299.418 3.437 20 30 CGEDLO Cc1ccc(F)c(CN(C)c2cc(C)[nH+]cc2C#N)c1 ZINC000425265282 236224783 /nfs/dbraw/zinc/22/47/83/236224783.db2.gz ZNHOOXQKKGBJSF-UHFFFAOYSA-N 1 2 269.323 3.346 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)c1 ZINC000433328002 236802935 /nfs/dbraw/zinc/80/29/35/236802935.db2.gz VBKQEDVRWUQHIL-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000435699133 236971641 /nfs/dbraw/zinc/97/16/41/236971641.db2.gz WGCPSDMRVUSRHS-UHFFFAOYSA-N 1 2 292.298 3.102 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2nccs2)C2CC2)cc1 ZINC000179203843 189177566 /nfs/dbraw/zinc/17/75/66/189177566.db2.gz MUNJSYXZFOBHRT-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2nccs2)C2CC2)cc1 ZINC000179203843 189177567 /nfs/dbraw/zinc/17/75/67/189177567.db2.gz MUNJSYXZFOBHRT-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO COC(=O)c1ccc(C[N@H+](CCC#N)CCC(C)C)s1 ZINC000119416097 370673747 /nfs/dbraw/zinc/67/37/47/370673747.db2.gz UJBZDLUEPSYARX-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)CCC(C)C)s1 ZINC000119416097 370673753 /nfs/dbraw/zinc/67/37/53/370673753.db2.gz UJBZDLUEPSYARX-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000119905110 370721692 /nfs/dbraw/zinc/72/16/92/370721692.db2.gz NGEUABUZUCJRAB-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000119905110 370721695 /nfs/dbraw/zinc/72/16/95/370721695.db2.gz NGEUABUZUCJRAB-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO Cc1ccsc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459612041 242146668 /nfs/dbraw/zinc/14/66/68/242146668.db2.gz LVKDJJNZQZWVPX-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO Cc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)s1 ZINC000459611452 242146749 /nfs/dbraw/zinc/14/67/49/242146749.db2.gz LDXHYYVHLAOOGF-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO C[N@H+](Cc1ccsc1)Cc1cc(C#N)ccc1F ZINC000035126430 368999401 /nfs/dbraw/zinc/99/94/01/368999401.db2.gz POMCMLQCTVWLLU-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccsc1)Cc1cc(C#N)ccc1F ZINC000035126430 368999406 /nfs/dbraw/zinc/99/94/06/368999406.db2.gz POMCMLQCTVWLLU-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO N#Cc1ccccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000035053660 368994343 /nfs/dbraw/zinc/99/43/43/368994343.db2.gz MEKKDZHJBRAJET-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000050911248 369444067 /nfs/dbraw/zinc/44/40/67/369444067.db2.gz GFZWZALDEBIKSA-UHFFFAOYSA-N 1 2 252.292 3.213 20 30 CGEDLO N#Cc1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000052029729 369461139 /nfs/dbraw/zinc/46/11/39/369461139.db2.gz MKMYTXLETOZDDX-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO N#Cc1ccsc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000052034665 369462693 /nfs/dbraw/zinc/46/26/93/369462693.db2.gz RRUDANBDAXGVAB-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO CCOc1cccc(C[N@H+](CC)CCC#N)c1OC(F)F ZINC000127598871 370953866 /nfs/dbraw/zinc/95/38/66/370953866.db2.gz RBIPSHWNTLWQEJ-UHFFFAOYSA-N 1 2 298.333 3.422 20 30 CGEDLO CCOc1cccc(C[N@@H+](CC)CCC#N)c1OC(F)F ZINC000127598871 370953871 /nfs/dbraw/zinc/95/38/71/370953871.db2.gz RBIPSHWNTLWQEJ-UHFFFAOYSA-N 1 2 298.333 3.422 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(C)o1)[C@@H]1CCc2ccccc21 ZINC000072577954 369826215 /nfs/dbraw/zinc/82/62/15/369826215.db2.gz OODCTRXOFPMODP-MRXNPFEDSA-N 1 2 266.344 3.106 20 30 CGEDLO C#CC[N@H+](Cc1ncc(C)o1)[C@@H]1CCc2ccccc21 ZINC000072577954 369826222 /nfs/dbraw/zinc/82/62/22/369826222.db2.gz OODCTRXOFPMODP-MRXNPFEDSA-N 1 2 266.344 3.106 20 30 CGEDLO N#CC[N@H+](CCCOc1ccccc1)C1CCCC1 ZINC000078003510 369950130 /nfs/dbraw/zinc/95/01/30/369950130.db2.gz XGYFXJRSKSTALR-UHFFFAOYSA-N 1 2 258.365 3.224 20 30 CGEDLO N#CC[N@@H+](CCCOc1ccccc1)C1CCCC1 ZINC000078003510 369950135 /nfs/dbraw/zinc/95/01/35/369950135.db2.gz XGYFXJRSKSTALR-UHFFFAOYSA-N 1 2 258.365 3.224 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1sc(C)c(C)c1C ZINC000075625452 369915425 /nfs/dbraw/zinc/91/54/25/369915425.db2.gz UQNGGYJTVUKSFF-UHFFFAOYSA-N 1 2 278.421 3.286 20 30 CGEDLO CC[N@@H+](Cc1cnc(C(C)(C)C)s1)C[C@H](C)C#N ZINC000091983758 370086004 /nfs/dbraw/zinc/08/60/04/370086004.db2.gz DKUCYVZKHIHKSO-LLVKDONJSA-N 1 2 265.426 3.422 20 30 CGEDLO CC[N@H+](Cc1cnc(C(C)(C)C)s1)C[C@H](C)C#N ZINC000091983758 370086009 /nfs/dbraw/zinc/08/60/09/370086009.db2.gz DKUCYVZKHIHKSO-LLVKDONJSA-N 1 2 265.426 3.422 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1OC(C)C)C[C@@H](C)C#N ZINC000091983700 370086098 /nfs/dbraw/zinc/08/60/98/370086098.db2.gz PQXRHFXGLHCIOB-AWEZNQCLSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1OC(C)C)C[C@@H](C)C#N ZINC000091983700 370086101 /nfs/dbraw/zinc/08/61/01/370086101.db2.gz PQXRHFXGLHCIOB-AWEZNQCLSA-N 1 2 290.407 3.464 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000093383821 370122069 /nfs/dbraw/zinc/12/20/69/370122069.db2.gz SBUXORPEUYGEES-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000093383821 370122071 /nfs/dbraw/zinc/12/20/71/370122071.db2.gz SBUXORPEUYGEES-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCC#N ZINC000111309772 370396630 /nfs/dbraw/zinc/39/66/30/370396630.db2.gz RDBDNKYFJAUXAN-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCC#N ZINC000111309772 370396631 /nfs/dbraw/zinc/39/66/31/370396631.db2.gz RDBDNKYFJAUXAN-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)c(F)c1 ZINC000119008990 370636911 /nfs/dbraw/zinc/63/69/11/370636911.db2.gz LZDQKCPGCCXSEW-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)c(F)c1 ZINC000119008990 370636920 /nfs/dbraw/zinc/63/69/20/370636920.db2.gz LZDQKCPGCCXSEW-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425151280 372113865 /nfs/dbraw/zinc/11/38/65/372113865.db2.gz WONWFJJADKDRDP-MRXNPFEDSA-N 1 2 297.402 3.356 20 30 CGEDLO C=C1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425169951 372117080 /nfs/dbraw/zinc/11/70/80/372117080.db2.gz QLHCADNHQHNYOK-INIZCTEOSA-N 1 2 295.386 3.110 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000428418210 372196312 /nfs/dbraw/zinc/19/63/12/372196312.db2.gz KHLZTZHBONMRKF-GDBMZVCRSA-N 1 2 275.392 3.462 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc2ccccn21)c1ccco1 ZINC000428444198 372203333 /nfs/dbraw/zinc/20/33/33/372203333.db2.gz UOWWHXMSGJESJL-ZDUSSCGKSA-N 1 2 282.347 3.119 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160883987 372285235 /nfs/dbraw/zinc/28/52/35/372285235.db2.gz LHIJIYMFRPVQKX-CQSZACIVSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160883987 372285239 /nfs/dbraw/zinc/28/52/39/372285239.db2.gz LHIJIYMFRPVQKX-CQSZACIVSA-N 1 2 264.369 3.025 20 30 CGEDLO CCn1nccc1C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000429698103 372377806 /nfs/dbraw/zinc/37/78/06/372377806.db2.gz BLZBQDSYPIECQL-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CCn1nccc1C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000429698103 372377814 /nfs/dbraw/zinc/37/78/14/372377814.db2.gz BLZBQDSYPIECQL-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCc1ccc(F)cc1Cl ZINC000430090669 372382800 /nfs/dbraw/zinc/38/28/00/372382800.db2.gz SPBYTJBMHAEVLJ-UHFFFAOYSA-N 1 2 266.747 3.423 20 30 CGEDLO C=CC[N@H+](CCC#N)CCc1ccc(F)cc1Cl ZINC000430090669 372382804 /nfs/dbraw/zinc/38/28/04/372382804.db2.gz SPBYTJBMHAEVLJ-UHFFFAOYSA-N 1 2 266.747 3.423 20 30 CGEDLO N#Cc1ccc(COc2cc[nH+]cc2)c(Br)c1 ZINC000431487334 372476988 /nfs/dbraw/zinc/47/69/88/372476988.db2.gz NAQDWLVZWATWPC-UHFFFAOYSA-N 1 2 289.132 3.295 20 30 CGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C#N ZINC000433309994 372587549 /nfs/dbraw/zinc/58/75/49/372587549.db2.gz GBKVNLMZFKEISH-LLVKDONJSA-N 1 2 261.325 3.137 20 30 CGEDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C#N ZINC000433309994 372587554 /nfs/dbraw/zinc/58/75/54/372587554.db2.gz GBKVNLMZFKEISH-LLVKDONJSA-N 1 2 261.325 3.137 20 30 CGEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433314467 372590193 /nfs/dbraw/zinc/59/01/93/372590193.db2.gz AQUFYNPKKRBHPX-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433314467 372590199 /nfs/dbraw/zinc/59/01/99/372590199.db2.gz AQUFYNPKKRBHPX-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[C@@]1(C)C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000442882820 373116991 /nfs/dbraw/zinc/11/69/91/373116991.db2.gz NEWGNGNUMBMLFU-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@@]1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000442882820 373116998 /nfs/dbraw/zinc/11/69/98/373116998.db2.gz NEWGNGNUMBMLFU-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296317337 373086946 /nfs/dbraw/zinc/08/69/46/373086946.db2.gz ONIUTHIHZMNHTQ-GFCCVEGCSA-N 1 2 260.164 3.058 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296317337 373086954 /nfs/dbraw/zinc/08/69/54/373086954.db2.gz ONIUTHIHZMNHTQ-GFCCVEGCSA-N 1 2 260.164 3.058 20 30 CGEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)o1)c1nccs1 ZINC000174419774 373312581 /nfs/dbraw/zinc/31/25/81/373312581.db2.gz WOGWQTMWQOIXLB-ZDUSSCGKSA-N 1 2 261.350 3.023 20 30 CGEDLO Cc1csc([C@@H]([NH2+]Cc2ccc(C#N)o2)C2CC2)n1 ZINC000174542397 373334814 /nfs/dbraw/zinc/33/48/14/373334814.db2.gz VLXVHHTUJCJSCM-ZDUSSCGKSA-N 1 2 273.361 3.157 20 30 CGEDLO CC(C)CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000447914360 373521416 /nfs/dbraw/zinc/52/14/16/373521416.db2.gz PAEGVKDQTYLFEP-HOTGVXAUSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000447914360 373521425 /nfs/dbraw/zinc/52/14/25/373521425.db2.gz PAEGVKDQTYLFEP-HOTGVXAUSA-N 1 2 264.413 3.350 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3ccccc3[nH+]2)CCCC1 ZINC000449146445 373666641 /nfs/dbraw/zinc/66/66/41/373666641.db2.gz NIEHHWGXJIXXTC-UHFFFAOYSA-N 1 2 283.375 3.087 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1nccnc1C#N ZINC000301188730 373686936 /nfs/dbraw/zinc/68/69/36/373686936.db2.gz QRBJWLNORBMDNS-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO Cc1cccn2c(CNc3cccc(C#N)c3)c[nH+]c12 ZINC000179550383 373885667 /nfs/dbraw/zinc/88/56/67/373885667.db2.gz MDLKWHRJKDERAB-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO CCN(CC)c1ccc(CNc2ccc(C)c(C#N)n2)c[nH+]1 ZINC000302683646 373925827 /nfs/dbraw/zinc/92/58/27/373925827.db2.gz XOOSKOORYDWTRZ-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO N#CCC[C@H](Nc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000302848027 373982962 /nfs/dbraw/zinc/98/29/62/373982962.db2.gz OOYMZCMMZWSEJJ-NSHDSACASA-N 1 2 287.754 3.169 20 30 CGEDLO N#CCC[C@H](Nc1[nH+]cnc(N)c1Cl)c1ccccc1 ZINC000302848027 373982969 /nfs/dbraw/zinc/98/29/69/373982969.db2.gz OOYMZCMMZWSEJJ-NSHDSACASA-N 1 2 287.754 3.169 20 30 CGEDLO C=CC[C@@H](CO)Nc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000450444848 374135212 /nfs/dbraw/zinc/13/52/12/374135212.db2.gz ZXFJOXQETZHSMA-LBPRGKRZSA-N 1 2 296.292 3.024 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000450463402 374145638 /nfs/dbraw/zinc/14/56/38/374145638.db2.gz OTWRCEQDKQXTKV-CRAIPNDOSA-N 1 2 298.386 3.160 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000450463402 374145644 /nfs/dbraw/zinc/14/56/44/374145644.db2.gz OTWRCEQDKQXTKV-CRAIPNDOSA-N 1 2 298.386 3.160 20 30 CGEDLO CCC[N@H+](CC1(C#N)CCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000450530772 374158859 /nfs/dbraw/zinc/15/88/59/374158859.db2.gz FBGLCPWPGYRIJP-HNNXBMFYSA-N 1 2 299.418 3.419 20 30 CGEDLO CCC[N@@H+](CC1(C#N)CCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000450530772 374158860 /nfs/dbraw/zinc/15/88/60/374158860.db2.gz FBGLCPWPGYRIJP-HNNXBMFYSA-N 1 2 299.418 3.419 20 30 CGEDLO N#CC1(C[N@H+]2CCc3ccc(Cl)cc3C2)CCC1 ZINC000450637001 374167322 /nfs/dbraw/zinc/16/73/22/374167322.db2.gz PAJRPHODCXGFMY-UHFFFAOYSA-N 1 2 260.768 3.392 20 30 CGEDLO N#CC1(C[N@@H+]2CCc3ccc(Cl)cc3C2)CCC1 ZINC000450637001 374167328 /nfs/dbraw/zinc/16/73/28/374167328.db2.gz PAJRPHODCXGFMY-UHFFFAOYSA-N 1 2 260.768 3.392 20 30 CGEDLO Cc1cccc(N(C)Cc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000182119346 374220897 /nfs/dbraw/zinc/22/08/97/374220897.db2.gz SDWRYXQDYJPKOZ-UHFFFAOYSA-N 1 2 276.343 3.151 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC[C@H]2CCCCO2)c1O ZINC000182203036 374234443 /nfs/dbraw/zinc/23/44/43/374234443.db2.gz YFVUMHYINYXFGG-RFRKOGIWSA-N 1 2 277.364 3.169 20 30 CGEDLO CC[N@@H+](Cc1cn(C)nc1C1CCCCC1)C[C@H](C)C#N ZINC000183006355 374354475 /nfs/dbraw/zinc/35/44/75/374354475.db2.gz XABUWHCCKVGHGD-CQSZACIVSA-N 1 2 288.439 3.449 20 30 CGEDLO CC[N@H+](Cc1cn(C)nc1C1CCCCC1)C[C@H](C)C#N ZINC000183006355 374354477 /nfs/dbraw/zinc/35/44/77/374354477.db2.gz XABUWHCCKVGHGD-CQSZACIVSA-N 1 2 288.439 3.449 20 30 CGEDLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328923455 374394820 /nfs/dbraw/zinc/39/48/20/374394820.db2.gz CZAILPMOHQBFNM-WOPDTQHZSA-N 1 2 261.369 3.050 20 30 CGEDLO C[C@@H]1CC[C@H](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328923455 374394822 /nfs/dbraw/zinc/39/48/22/374394822.db2.gz CZAILPMOHQBFNM-WOPDTQHZSA-N 1 2 261.369 3.050 20 30 CGEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328889275 374391494 /nfs/dbraw/zinc/39/14/94/374391494.db2.gz QRMXQCPZGRSNJK-CYBMUJFWSA-N 1 2 291.395 3.129 20 30 CGEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328889275 374391501 /nfs/dbraw/zinc/39/15/01/374391501.db2.gz QRMXQCPZGRSNJK-CYBMUJFWSA-N 1 2 291.395 3.129 20 30 CGEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1nccn1C ZINC000183370744 374407736 /nfs/dbraw/zinc/40/77/36/374407736.db2.gz XNTPTFYJHFKVHL-ZFWWWQNUSA-N 1 2 268.364 3.116 20 30 CGEDLO CCn1c[nH+]cc1CNc1cc(C#N)ccc1OC(C)C ZINC000417980761 227363285 /nfs/dbraw/zinc/36/32/85/227363285.db2.gz JDDVTHYYRKDZDZ-UHFFFAOYSA-N 1 2 284.363 3.174 20 30 CGEDLO CCC[C@H](CC)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330509149 374476731 /nfs/dbraw/zinc/47/67/31/374476731.db2.gz AJFSNPNYUSEDAD-OLZOCXBDSA-N 1 2 278.400 3.082 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185440617 374664487 /nfs/dbraw/zinc/66/44/87/374664487.db2.gz SUDYCZZOVWWUCG-UHFFFAOYSA-N 1 2 285.322 3.144 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000335964143 375575660 /nfs/dbraw/zinc/57/56/60/375575660.db2.gz SUFXBNOZIKYILR-UHFFFAOYSA-N 1 2 294.358 3.234 20 30 CGEDLO C[C@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009419 375614749 /nfs/dbraw/zinc/61/47/49/375614749.db2.gz SOICUUDCBHFPEX-GWCFXTLKSA-N 1 2 293.317 3.112 20 30 CGEDLO C[C@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009419 375614757 /nfs/dbraw/zinc/61/47/57/375614757.db2.gz SOICUUDCBHFPEX-GWCFXTLKSA-N 1 2 293.317 3.112 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000500780641 375637242 /nfs/dbraw/zinc/63/72/42/375637242.db2.gz LOEBFAXFFUZEND-CABCVRRESA-N 1 2 295.810 3.368 20 30 CGEDLO C=CC[N@@H+](C)Cc1ncc(Cl)cc1Br ZINC000529551925 375928361 /nfs/dbraw/zinc/92/83/61/375928361.db2.gz RNQKKYXXTQPHNY-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C=CC[N@H+](C)Cc1ncc(Cl)cc1Br ZINC000529551925 375928370 /nfs/dbraw/zinc/92/83/70/375928370.db2.gz RNQKKYXXTQPHNY-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000223525455 376255915 /nfs/dbraw/zinc/25/59/15/376255915.db2.gz RSDFARYGBYEFJM-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000223525455 376255917 /nfs/dbraw/zinc/25/59/17/376255917.db2.gz RSDFARYGBYEFJM-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccc([N+](=O)[O-])cc3C#N)ccc21 ZINC000338291409 376318423 /nfs/dbraw/zinc/31/84/23/376318423.db2.gz WEIPSRFUWCZWLQ-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO CN(C)c1[nH+]cccc1CNc1cccc(Cl)c1C#N ZINC000338999269 376621357 /nfs/dbraw/zinc/62/13/57/376621357.db2.gz CGAWPOYNZBDUJN-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nccc(C)n1 ZINC000339642619 376779965 /nfs/dbraw/zinc/77/99/65/376779965.db2.gz DTUCZPLJASYRJG-UHFFFAOYSA-N 1 2 280.375 3.069 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nccc(C)n1 ZINC000339642619 376779971 /nfs/dbraw/zinc/77/99/71/376779971.db2.gz DTUCZPLJASYRJG-UHFFFAOYSA-N 1 2 280.375 3.069 20 30 CGEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1C ZINC000545219114 376800551 /nfs/dbraw/zinc/80/05/51/376800551.db2.gz IWQXUHQKLGVUDK-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)c(F)c1 ZINC000339781827 376846013 /nfs/dbraw/zinc/84/60/13/376846013.db2.gz MGDOPWCCJGTXML-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(F)cccc3C2)c(F)c1 ZINC000339781827 376846017 /nfs/dbraw/zinc/84/60/17/376846017.db2.gz MGDOPWCCJGTXML-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000339813260 376857174 /nfs/dbraw/zinc/85/71/74/376857174.db2.gz NLSHLVHYEYSKPQ-INIZCTEOSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000339813260 376857185 /nfs/dbraw/zinc/85/71/85/376857185.db2.gz NLSHLVHYEYSKPQ-INIZCTEOSA-N 1 2 292.810 3.459 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000246186041 376983478 /nfs/dbraw/zinc/98/34/78/376983478.db2.gz KYEBPSQHCPBORM-QWHCGFSZSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000246186041 376983482 /nfs/dbraw/zinc/98/34/82/376983482.db2.gz KYEBPSQHCPBORM-QWHCGFSZSA-N 1 2 297.320 3.166 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1cc(C)nc(C#N)c1 ZINC000341364678 377530519 /nfs/dbraw/zinc/53/05/19/377530519.db2.gz VQNGIXSHNZLEJB-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C)nc1CC)Cc1ccccc1F ZINC000179831852 542203664 /nfs/dbraw/zinc/20/36/64/542203664.db2.gz GPQYTKIFXVHAAD-UHFFFAOYSA-N 1 2 287.382 3.310 20 30 CGEDLO C=CC[N@H+](Cc1cn(C)nc1CC)Cc1ccccc1F ZINC000179831852 542203667 /nfs/dbraw/zinc/20/36/67/542203667.db2.gz GPQYTKIFXVHAAD-UHFFFAOYSA-N 1 2 287.382 3.310 20 30 CGEDLO COc1cccc(/C=[NH+]\[C@@H]2CC[C@H](SC)C2)c1O ZINC000743042308 572392803 /nfs/dbraw/zinc/39/28/03/572392803.db2.gz ITXCPZRMMNURJQ-OGJMLENDSA-N 1 2 265.378 3.104 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000578784758 378101260 /nfs/dbraw/zinc/10/12/60/378101260.db2.gz UIRYXJPCILOUEI-AWEZNQCLSA-N 1 2 294.402 3.143 20 30 CGEDLO C=C1CC[NH+](Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638032112 378677111 /nfs/dbraw/zinc/67/71/11/378677111.db2.gz MIAZTMHPCJBOPZ-UHFFFAOYSA-N 1 2 299.340 3.390 20 30 CGEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348708952 379025565 /nfs/dbraw/zinc/02/55/65/379025565.db2.gz AVUJBRUVGNDRDB-YPMHNXCESA-N 1 2 262.328 3.231 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000639132566 379058799 /nfs/dbraw/zinc/05/87/99/379058799.db2.gz QMJIELHNBKPRPK-KGLIPLIRSA-N 1 2 262.401 3.370 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)[nH]1 ZINC000277515644 379178083 /nfs/dbraw/zinc/17/80/83/379178083.db2.gz WWKGHEVZBGEWOT-NXEZZACHSA-N 1 2 289.408 3.102 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ncnn1C(C)C)Cc1ccccc1 ZINC000279440814 379436820 /nfs/dbraw/zinc/43/68/20/379436820.db2.gz YPAGICPTGSAXAT-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C=C(C)C[N@H+](Cc1ncnn1C(C)C)Cc1ccccc1 ZINC000279440814 379436832 /nfs/dbraw/zinc/43/68/32/379436832.db2.gz YPAGICPTGSAXAT-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C#CC[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000375842332 379515078 /nfs/dbraw/zinc/51/50/78/379515078.db2.gz VMCBPGKBJIVLHT-HZPDHXFCSA-N 1 2 265.360 3.141 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776570 379574545 /nfs/dbraw/zinc/57/45/45/379574545.db2.gz NNJUSIOQSDXQHZ-INIZCTEOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776570 379574559 /nfs/dbraw/zinc/57/45/59/379574559.db2.gz NNJUSIOQSDXQHZ-INIZCTEOSA-N 1 2 285.778 3.252 20 30 CGEDLO C#CCCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280209717 379641734 /nfs/dbraw/zinc/64/17/34/379641734.db2.gz NDKPAJVOLWBFDP-UHFFFAOYSA-N 1 2 267.332 3.127 20 30 CGEDLO CCc1ccc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000351550854 379727610 /nfs/dbraw/zinc/72/76/10/379727610.db2.gz POXPWGGQOQAKLL-UHFFFAOYSA-N 1 2 296.374 3.334 20 30 CGEDLO C=CCCCNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281348741 379829807 /nfs/dbraw/zinc/82/98/07/379829807.db2.gz ZPGKYWIQKIKUGY-AWEZNQCLSA-N 1 2 290.411 3.106 20 30 CGEDLO C#CCCCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281698092 379843325 /nfs/dbraw/zinc/84/33/25/379843325.db2.gz GYVFKLACEXVFHP-HNNXBMFYSA-N 1 2 287.407 3.150 20 30 CGEDLO CCc1nc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)cs1 ZINC000404253868 379979189 /nfs/dbraw/zinc/97/91/89/379979189.db2.gz MFYMHWWVSZTNDO-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO CCc1nc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cs1 ZINC000404253868 379979199 /nfs/dbraw/zinc/97/91/99/379979199.db2.gz MFYMHWWVSZTNDO-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO COc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1F ZINC000352829285 379987975 /nfs/dbraw/zinc/98/79/75/379987975.db2.gz AEGXRQWSNBETAK-SECBINFHSA-N 1 2 291.351 3.013 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000267899824 190362086 /nfs/dbraw/zinc/36/20/86/190362086.db2.gz VVQNXNMZYBZVJE-GFCCVEGCSA-N 1 2 278.783 3.341 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](CC)C(=O)OCC ZINC000411138947 380129955 /nfs/dbraw/zinc/12/99/55/380129955.db2.gz QVBMYHANKNTXAA-CYBMUJFWSA-N 1 2 267.394 3.078 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](CC)C(=O)OCC ZINC000411138947 380129960 /nfs/dbraw/zinc/12/99/60/380129960.db2.gz QVBMYHANKNTXAA-CYBMUJFWSA-N 1 2 267.394 3.078 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1csnn1 ZINC000411190548 380133203 /nfs/dbraw/zinc/13/32/03/380133203.db2.gz HSFIXRRVFCCLOP-ZDUSSCGKSA-N 1 2 273.405 3.330 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1csnn1 ZINC000411190548 380133211 /nfs/dbraw/zinc/13/32/11/380133211.db2.gz HSFIXRRVFCCLOP-ZDUSSCGKSA-N 1 2 273.405 3.330 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1c(F)cncc1F ZINC000353226918 380177022 /nfs/dbraw/zinc/17/70/22/380177022.db2.gz HFFPEIWFQCOCFW-VIFPVBQESA-N 1 2 291.276 3.221 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000414380629 380217388 /nfs/dbraw/zinc/21/73/88/380217388.db2.gz JCFZYGKJDTULJV-LBPRGKRZSA-N 1 2 286.354 3.054 20 30 CGEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000414380629 380217394 /nfs/dbraw/zinc/21/73/94/380217394.db2.gz JCFZYGKJDTULJV-LBPRGKRZSA-N 1 2 286.354 3.054 20 30 CGEDLO N#Cc1ccc(Cl)c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000354113196 380332161 /nfs/dbraw/zinc/33/21/61/380332161.db2.gz RPKBCDAYSGPLSU-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000354019674 380282626 /nfs/dbraw/zinc/28/26/26/380282626.db2.gz ZTHRCEMBJMGOTR-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC(C)(C)C#N ZINC000354019674 380282632 /nfs/dbraw/zinc/28/26/32/380282632.db2.gz ZTHRCEMBJMGOTR-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354035045 380289796 /nfs/dbraw/zinc/28/97/96/380289796.db2.gz VGLMUYLUSZEWFT-GFCCVEGCSA-N 1 2 277.437 3.466 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+](C[C@H](C)C#N)C2CC2)s1 ZINC000354035045 380289801 /nfs/dbraw/zinc/28/98/01/380289801.db2.gz VGLMUYLUSZEWFT-GFCCVEGCSA-N 1 2 277.437 3.466 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccncc2)s1)CC(C)(C)C#N ZINC000354042729 380295833 /nfs/dbraw/zinc/29/58/33/380295833.db2.gz XFVBADICOHOHEH-UHFFFAOYSA-N 1 2 286.404 3.187 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccncc2)s1)CC(C)(C)C#N ZINC000354042729 380295838 /nfs/dbraw/zinc/29/58/38/380295838.db2.gz XFVBADICOHOHEH-UHFFFAOYSA-N 1 2 286.404 3.187 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccc(C#N)c1F ZINC000359876929 381379122 /nfs/dbraw/zinc/37/91/22/381379122.db2.gz PVVVBDZQEUMJEO-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccc(C#N)c1F ZINC000359876929 381379127 /nfs/dbraw/zinc/37/91/27/381379127.db2.gz PVVVBDZQEUMJEO-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO Cc1ccc(C(=O)CC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000360131234 381453872 /nfs/dbraw/zinc/45/38/72/381453872.db2.gz KSNBVONXEYLAJM-CQSZACIVSA-N 1 2 270.376 3.192 20 30 CGEDLO Cc1ccc(C(=O)CC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000360131234 381453886 /nfs/dbraw/zinc/45/38/86/381453886.db2.gz KSNBVONXEYLAJM-CQSZACIVSA-N 1 2 270.376 3.192 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000369020612 382385207 /nfs/dbraw/zinc/38/52/07/382385207.db2.gz ZKHQOWKXKWWBRG-LSDHHAIUSA-N 1 2 270.380 3.229 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093091076 392234691 /nfs/dbraw/zinc/23/46/91/392234691.db2.gz VMHBIXBMWVFACA-ZDUSSCGKSA-N 1 2 282.347 3.003 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093091076 392234694 /nfs/dbraw/zinc/23/46/94/392234694.db2.gz VMHBIXBMWVFACA-ZDUSSCGKSA-N 1 2 282.347 3.003 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000093091005 392234848 /nfs/dbraw/zinc/23/48/48/392234848.db2.gz AFMBLXLCHAAYCV-SECBINFHSA-N 1 2 274.336 3.469 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000093091005 392234855 /nfs/dbraw/zinc/23/48/55/392234855.db2.gz AFMBLXLCHAAYCV-SECBINFHSA-N 1 2 274.336 3.469 20 30 CGEDLO CN(CCC#N)c1ccc(C[N@H+](CC(F)F)C2CC2)cc1 ZINC000093276720 392237083 /nfs/dbraw/zinc/23/70/83/392237083.db2.gz UZIHLRZPYKIMDG-UHFFFAOYSA-N 1 2 293.361 3.266 20 30 CGEDLO CN(CCC#N)c1ccc(C[N@@H+](CC(F)F)C2CC2)cc1 ZINC000093276720 392237086 /nfs/dbraw/zinc/23/70/86/392237086.db2.gz UZIHLRZPYKIMDG-UHFFFAOYSA-N 1 2 293.361 3.266 20 30 CGEDLO C#CC[C@@H]([NH2+][C@H](C)c1cc(C)on1)c1ccccc1 ZINC000285042820 392317432 /nfs/dbraw/zinc/31/74/32/392317432.db2.gz IDLQUVVGYKBSHS-UKRRQHHQSA-N 1 2 254.333 3.398 20 30 CGEDLO C=CCN(CC=C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000150883409 392482269 /nfs/dbraw/zinc/48/22/69/392482269.db2.gz RBAYGYYFCALGJM-UHFFFAOYSA-N 1 2 296.374 3.293 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000519761722 392891617 /nfs/dbraw/zinc/89/16/17/392891617.db2.gz SLWOXQQOODENKB-AWEZNQCLSA-N 1 2 281.359 3.060 20 30 CGEDLO C=CCC[C@@H](C)[NH2+]c1ccc(-n2nncc2C)cc1 ZINC000648059200 392893589 /nfs/dbraw/zinc/89/35/89/392893589.db2.gz BWZMBKANQIMRHD-GFCCVEGCSA-N 1 2 256.353 3.342 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338383243 392914811 /nfs/dbraw/zinc/91/48/11/392914811.db2.gz PIJGTJLGRNTMRU-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338383243 392914815 /nfs/dbraw/zinc/91/48/15/392914815.db2.gz PIJGTJLGRNTMRU-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339006492 392940068 /nfs/dbraw/zinc/94/00/68/392940068.db2.gz NMXKEKMRXWWEGO-DLBZAZTESA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339006492 392940074 /nfs/dbraw/zinc/94/00/74/392940074.db2.gz NMXKEKMRXWWEGO-DLBZAZTESA-N 1 2 294.402 3.055 20 30 CGEDLO N#CCCOCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000339024881 392941742 /nfs/dbraw/zinc/94/17/42/392941742.db2.gz WVEUAUBWCBKNLC-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO N#CCCOCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000339024881 392941746 /nfs/dbraw/zinc/94/17/46/392941746.db2.gz WVEUAUBWCBKNLC-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO FC(F)(F)c1cc[nH+]c(N2CC(F)(F)C(F)(F)C2)c1 ZINC000413392122 393023218 /nfs/dbraw/zinc/02/32/18/393023218.db2.gz CKWDDFGCIFBBBO-UHFFFAOYSA-N 1 2 288.166 3.191 20 30 CGEDLO COc1cccc(C2=CC[N@H+](CC3(C#N)CC3)CC2)c1 ZINC000343317908 393025994 /nfs/dbraw/zinc/02/59/94/393025994.db2.gz APMUOQPGAZBOMR-UHFFFAOYSA-N 1 2 268.360 3.088 20 30 CGEDLO COc1cccc(C2=CC[N@@H+](CC3(C#N)CC3)CC2)c1 ZINC000343317908 393026002 /nfs/dbraw/zinc/02/60/02/393026002.db2.gz APMUOQPGAZBOMR-UHFFFAOYSA-N 1 2 268.360 3.088 20 30 CGEDLO C=CC[C@H](C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348833028 393132408 /nfs/dbraw/zinc/13/24/08/393132408.db2.gz LJZVXLXSQMYUIY-KBPBESRZSA-N 1 2 270.380 3.339 20 30 CGEDLO COc1ccc(C[N@H+](C)CC2(C#N)CC2)cc1Cl ZINC000258907106 393138089 /nfs/dbraw/zinc/13/80/89/393138089.db2.gz LUCLOZHDXPWOGW-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(C[N@@H+](C)CC2(C#N)CC2)cc1Cl ZINC000258907106 393138091 /nfs/dbraw/zinc/13/80/91/393138091.db2.gz LUCLOZHDXPWOGW-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000355442704 393324639 /nfs/dbraw/zinc/32/46/39/393324639.db2.gz AKGPAWATVCPABD-ZDUSSCGKSA-N 1 2 276.355 3.135 20 30 CGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356192279 393376762 /nfs/dbraw/zinc/37/67/62/393376762.db2.gz KKHPEXUGDPBDGM-SECBINFHSA-N 1 2 292.433 3.281 20 30 CGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356192279 393376770 /nfs/dbraw/zinc/37/67/70/393376770.db2.gz KKHPEXUGDPBDGM-SECBINFHSA-N 1 2 292.433 3.281 20 30 CGEDLO CC(C)c1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000356437626 393444672 /nfs/dbraw/zinc/44/46/72/393444672.db2.gz VWUXNWJVRDVBPP-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO Cc1cc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)ccc1C#N ZINC000488263106 393476241 /nfs/dbraw/zinc/47/62/41/393476241.db2.gz HISXXWWTUQFFON-LBPRGKRZSA-N 1 2 298.390 3.398 20 30 CGEDLO C=CCCc1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000359135068 393538449 /nfs/dbraw/zinc/53/84/49/393538449.db2.gz YRJWUPAREMDATM-UHFFFAOYSA-N 1 2 282.347 3.089 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2c[nH+]c3c(C)cccn23)C1 ZINC000667959234 542951112 /nfs/dbraw/zinc/95/11/12/542951112.db2.gz ILMWXNMACBXXIS-CQSZACIVSA-N 1 2 298.390 3.463 20 30 CGEDLO C=CCCn1cc(C[NH+]2CC(CC)(c3ccccc3)C2)nn1 ZINC000668236824 542996187 /nfs/dbraw/zinc/99/61/87/542996187.db2.gz XPDTWTPUBVHAPX-UHFFFAOYSA-N 1 2 296.418 3.018 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1nc(C)ccc1C#N ZINC000127578857 287291043 /nfs/dbraw/zinc/29/10/43/287291043.db2.gz VPZXZVBRIDGNQG-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1ncsc1Br ZINC000659939714 419039038 /nfs/dbraw/zinc/03/90/38/419039038.db2.gz AFLGATVOLQJACJ-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C=CCCC[N@H+](C)Cc1ncsc1Br ZINC000659939714 419039041 /nfs/dbraw/zinc/03/90/41/419039041.db2.gz AFLGATVOLQJACJ-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C=CCC1(NC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC000654021105 419131640 /nfs/dbraw/zinc/13/16/40/419131640.db2.gz WDTLKAODXSQUMS-UHFFFAOYSA-N 1 2 275.396 3.059 20 30 CGEDLO C=CC[N@H+](Cc1cc(-c2cccs2)on1)[C@H](C)COC ZINC000661246189 419244337 /nfs/dbraw/zinc/24/43/37/419244337.db2.gz GDWUAKWOTMNMCB-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1cc(-c2cccs2)on1)[C@H](C)COC ZINC000661246189 419244339 /nfs/dbraw/zinc/24/43/39/419244339.db2.gz GDWUAKWOTMNMCB-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000661380129 419255553 /nfs/dbraw/zinc/25/55/53/419255553.db2.gz FFKYMTZDVCBHCA-HNNXBMFYSA-N 1 2 282.391 3.055 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000661380129 419255558 /nfs/dbraw/zinc/25/55/58/419255558.db2.gz FFKYMTZDVCBHCA-HNNXBMFYSA-N 1 2 282.391 3.055 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000661378729 419256003 /nfs/dbraw/zinc/25/60/03/419256003.db2.gz LHUZLLGLKYWOND-CYBMUJFWSA-N 1 2 263.385 3.200 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000661378729 419256005 /nfs/dbraw/zinc/25/60/05/419256005.db2.gz LHUZLLGLKYWOND-CYBMUJFWSA-N 1 2 263.385 3.200 20 30 CGEDLO C=CCC1(NC(=O)Nc2cc(C)[nH+]cc2C)CCCC1 ZINC000666496894 419223225 /nfs/dbraw/zinc/22/32/25/419223225.db2.gz WTCBRWNWSSEDGS-UHFFFAOYSA-N 1 2 273.380 3.131 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)C(C)(C)C ZINC000661755011 419295447 /nfs/dbraw/zinc/29/54/47/419295447.db2.gz GDANWTDDERNAFY-UHFFFAOYSA-N 1 2 251.374 3.055 20 30 CGEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)C(C)(C)C ZINC000661755011 419295450 /nfs/dbraw/zinc/29/54/50/419295450.db2.gz GDANWTDDERNAFY-UHFFFAOYSA-N 1 2 251.374 3.055 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000356095086 228118498 /nfs/dbraw/zinc/11/84/98/228118498.db2.gz XBQKBQGXIXOABC-WDEREUQCSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000356095086 228118500 /nfs/dbraw/zinc/11/85/00/228118500.db2.gz XBQKBQGXIXOABC-WDEREUQCSA-N 1 2 298.308 3.186 20 30 CGEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)sc1Br ZINC000352097595 228182287 /nfs/dbraw/zinc/18/22/87/228182287.db2.gz UIIVBYXSVSACRI-MRVPVSSYSA-N 1 2 287.226 3.411 20 30 CGEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)sc1Br ZINC000352097595 228182288 /nfs/dbraw/zinc/18/22/88/228182288.db2.gz UIIVBYXSVSACRI-MRVPVSSYSA-N 1 2 287.226 3.411 20 30 CGEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000336239533 228219320 /nfs/dbraw/zinc/21/93/20/228219320.db2.gz XUYGSBLKAAMFHL-BMLIUANNSA-N 1 2 296.374 3.349 20 30 CGEDLO C=C[C@H](CO)[NH2+][C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000662168548 419350475 /nfs/dbraw/zinc/35/04/75/419350475.db2.gz KOZIZFSLVFEUGK-ZWNOBZJWSA-N 1 2 292.766 3.193 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1F ZINC000179653175 260061611 /nfs/dbraw/zinc/06/16/11/260061611.db2.gz BGSJKLZZQHOEED-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1F ZINC000179653175 260061613 /nfs/dbraw/zinc/06/16/13/260061613.db2.gz BGSJKLZZQHOEED-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO C[N@H+](CCOc1cccc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000070869605 260270718 /nfs/dbraw/zinc/27/07/18/260270718.db2.gz IBZITYCIZZKSFH-CYBMUJFWSA-N 1 2 291.782 3.094 20 30 CGEDLO C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000070869605 260270719 /nfs/dbraw/zinc/27/07/19/260270719.db2.gz IBZITYCIZZKSFH-CYBMUJFWSA-N 1 2 291.782 3.094 20 30 CGEDLO Cc1ncsc1CC[N@H+](CCC#N)Cc1ccco1 ZINC000081517843 260334205 /nfs/dbraw/zinc/33/42/05/260334205.db2.gz ZYNOKBWYXSUGEH-UHFFFAOYSA-N 1 2 275.377 3.003 20 30 CGEDLO Cc1ncsc1CC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517843 260334207 /nfs/dbraw/zinc/33/42/07/260334207.db2.gz ZYNOKBWYXSUGEH-UHFFFAOYSA-N 1 2 275.377 3.003 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(F)cc1 ZINC000491229264 261381028 /nfs/dbraw/zinc/38/10/28/261381028.db2.gz GHGHWGPGPFNCGG-INIZCTEOSA-N 1 2 285.366 3.241 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000184090555 262007984 /nfs/dbraw/zinc/00/79/84/262007984.db2.gz QGSACHLTRGUHNL-LLVKDONJSA-N 1 2 276.771 3.009 20 30 CGEDLO CCOc1cccc(C[NH2+][C@@H](CC)CC#N)c1OC(F)F ZINC000184090138 262008532 /nfs/dbraw/zinc/00/85/32/262008532.db2.gz FGHBWVMWYLZWOA-LBPRGKRZSA-N 1 2 298.333 3.469 20 30 CGEDLO CC(C)[C@@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000366249449 262591822 /nfs/dbraw/zinc/59/18/22/262591822.db2.gz IWTRLASATCQJRQ-RBUKOAKNSA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)[C@@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000366249449 262591824 /nfs/dbraw/zinc/59/18/24/262591824.db2.gz IWTRLASATCQJRQ-RBUKOAKNSA-N 1 2 297.446 3.098 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000276303294 263036081 /nfs/dbraw/zinc/03/60/81/263036081.db2.gz KJOSYSBDTKGVAD-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000276303294 263036082 /nfs/dbraw/zinc/03/60/82/263036082.db2.gz KJOSYSBDTKGVAD-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO N#CCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000283921883 263084748 /nfs/dbraw/zinc/08/47/48/263084748.db2.gz LEQHCCBGNGPGSR-UHFFFAOYSA-N 1 2 267.332 3.179 20 30 CGEDLO N#CCC[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000290264454 263115863 /nfs/dbraw/zinc/11/58/63/263115863.db2.gz KYORLQNXOUOJQB-KRWDZBQOSA-N 1 2 284.359 3.119 20 30 CGEDLO N#CCC[N@H+](CC[C@H](O)c1ccccc1)Cc1ccco1 ZINC000290264454 263115864 /nfs/dbraw/zinc/11/58/64/263115864.db2.gz KYORLQNXOUOJQB-KRWDZBQOSA-N 1 2 284.359 3.119 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000298949660 263228042 /nfs/dbraw/zinc/22/80/42/263228042.db2.gz HOFOXEGJPIFGGH-UHFFFAOYSA-N 1 2 298.321 3.034 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000299206544 263235007 /nfs/dbraw/zinc/23/50/07/263235007.db2.gz GHVUIMZCZPAOES-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000299206544 263235008 /nfs/dbraw/zinc/23/50/08/263235008.db2.gz GHVUIMZCZPAOES-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C#CCCOc1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000120239479 263283900 /nfs/dbraw/zinc/28/39/00/263283900.db2.gz NKFJKXYNAYCICJ-UHFFFAOYSA-N 1 2 286.400 3.177 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000120239479 263283901 /nfs/dbraw/zinc/28/39/01/263283901.db2.gz NKFJKXYNAYCICJ-UHFFFAOYSA-N 1 2 286.400 3.177 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(C#N)c1F ZINC000340921782 263315475 /nfs/dbraw/zinc/31/54/75/263315475.db2.gz WVSCGTUCXXJUOY-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(C#N)c1F ZINC000340921782 263315477 /nfs/dbraw/zinc/31/54/77/263315477.db2.gz WVSCGTUCXXJUOY-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO C=C1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000341995721 263373553 /nfs/dbraw/zinc/37/35/53/263373553.db2.gz QJUCPODUMMYSGX-UHFFFAOYSA-N 1 2 298.839 3.012 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000341991563 263382213 /nfs/dbraw/zinc/38/22/13/263382213.db2.gz OIVQSXONBGOBLL-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO CS[C@@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331348508 264205952 /nfs/dbraw/zinc/20/59/52/264205952.db2.gz XGWUEMNIDXOCQV-JTQLQIEISA-N 1 2 267.398 3.084 20 30 CGEDLO C#CCCCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000130605778 264359882 /nfs/dbraw/zinc/35/98/82/264359882.db2.gz VAYLSUBUQCLIBT-UHFFFAOYSA-N 1 2 280.375 3.371 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(CC)o1)c1ccccc1 ZINC000180034841 264389887 /nfs/dbraw/zinc/38/98/87/264389887.db2.gz CWOJGGPLFOHPQD-AWEZNQCLSA-N 1 2 271.364 3.429 20 30 CGEDLO C=CCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000356642607 266152807 /nfs/dbraw/zinc/15/28/07/266152807.db2.gz KEPLIEDEDJFYKD-UHFFFAOYSA-N 1 2 266.304 3.041 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(Br)o1)C1CC1 ZINC000361554632 266845465 /nfs/dbraw/zinc/84/54/65/266845465.db2.gz UVOCVHGUGMLRIM-VIFPVBQESA-N 1 2 283.169 3.166 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(Br)o1)C1CC1 ZINC000361554632 266845469 /nfs/dbraw/zinc/84/54/69/266845469.db2.gz UVOCVHGUGMLRIM-VIFPVBQESA-N 1 2 283.169 3.166 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000363285771 267084958 /nfs/dbraw/zinc/08/49/58/267084958.db2.gz SGIZZIGEKIUDLO-HZPDHXFCSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000363285771 267084959 /nfs/dbraw/zinc/08/49/59/267084959.db2.gz SGIZZIGEKIUDLO-HZPDHXFCSA-N 1 2 281.359 3.255 20 30 CGEDLO C=CC[C@@H](C)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000116873547 267185175 /nfs/dbraw/zinc/18/51/75/267185175.db2.gz UKAFIVZKEALXSB-LLVKDONJSA-N 1 2 254.337 3.224 20 30 CGEDLO Clc1ccc(C#CCN2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000370054476 267286939 /nfs/dbraw/zinc/28/69/39/267286939.db2.gz WHGVYJNVLQGGCR-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000370054476 267286941 /nfs/dbraw/zinc/28/69/41/267286941.db2.gz WHGVYJNVLQGGCR-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000370054476 267286943 /nfs/dbraw/zinc/28/69/43/267286943.db2.gz WHGVYJNVLQGGCR-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO Cc1cc(N(C)CCCOCc2ccccc2)c(C#N)c[nH+]1 ZINC000399675640 267331714 /nfs/dbraw/zinc/33/17/14/267331714.db2.gz UDGNPJMMSQWSMW-UHFFFAOYSA-N 1 2 295.386 3.305 20 30 CGEDLO CC(C)c1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000335996305 278065558 /nfs/dbraw/zinc/06/55/58/278065558.db2.gz QDBSWHOWAGKFNJ-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(CC3)C2)c(C(F)(F)F)c1 ZINC000335375473 279515829 /nfs/dbraw/zinc/51/58/29/279515829.db2.gz JWFVJCIEPQOJCR-UHFFFAOYSA-N 1 2 266.266 3.173 20 30 CGEDLO Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c(C)[nH+]1 ZINC000541621815 288713208 /nfs/dbraw/zinc/71/32/08/288713208.db2.gz HKJNUPDEFXZAOP-UHFFFAOYSA-N 1 2 285.734 3.476 20 30 CGEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000554849091 289313438 /nfs/dbraw/zinc/31/34/38/289313438.db2.gz VEMWVWWGCGOGSP-CZUORRHYSA-N 1 2 288.391 3.187 20 30 CGEDLO CCOc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)cc1CO ZINC000185741017 327843904 /nfs/dbraw/zinc/84/39/04/327843904.db2.gz URMPXPRXPBOHNT-JSGCOSHPSA-N 1 2 274.364 3.072 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000528410705 326875328 /nfs/dbraw/zinc/87/53/28/326875328.db2.gz WVAGLSHMSFUGHA-UHFFFAOYSA-N 1 2 282.347 3.345 20 30 CGEDLO C/C(Cl)=C\C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000528415069 326877787 /nfs/dbraw/zinc/87/77/87/326877787.db2.gz CFWSRYVIIAZSPZ-KAMPRCONSA-N 1 2 289.810 3.011 20 30 CGEDLO CCc1cc(OC)ccc1CNc1cc(CC#N)cc[nH+]1 ZINC000558652359 327112235 /nfs/dbraw/zinc/11/22/35/327112235.db2.gz NRZSMIUVHWPDCQ-UHFFFAOYSA-N 1 2 281.359 3.331 20 30 CGEDLO N#CCCCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377513237 329017318 /nfs/dbraw/zinc/01/73/18/329017318.db2.gz SJGHAMKYZBUDGO-ZDUSSCGKSA-N 1 2 274.368 3.168 20 30 CGEDLO N#CCCCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000377513237 329017320 /nfs/dbraw/zinc/01/73/20/329017320.db2.gz SJGHAMKYZBUDGO-ZDUSSCGKSA-N 1 2 274.368 3.168 20 30 CGEDLO C=CCSCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000218870267 329084777 /nfs/dbraw/zinc/08/47/77/329084777.db2.gz YTPPDICGVQNOPO-UHFFFAOYSA-N 1 2 251.399 3.240 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccco1 ZINC000176985327 329179683 /nfs/dbraw/zinc/17/96/83/329179683.db2.gz VLIAIIONBWXRBE-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccco1 ZINC000176985327 329179684 /nfs/dbraw/zinc/17/96/84/329179684.db2.gz VLIAIIONBWXRBE-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO Cc1ccc(C[N@@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000187114299 329353364 /nfs/dbraw/zinc/35/33/64/329353364.db2.gz OAWXCDZHGBQDGU-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cc1ccc(C[N@H+](CCC#N)CCC(C)C)c(C)n1 ZINC000187114299 329353365 /nfs/dbraw/zinc/35/33/65/329353365.db2.gz OAWXCDZHGBQDGU-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO N#CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000067378682 329850841 /nfs/dbraw/zinc/85/08/41/329850841.db2.gz YENIXIBLLKEZJF-UHFFFAOYSA-N 1 2 273.361 3.139 20 30 CGEDLO N#CCCC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000580428117 330130918 /nfs/dbraw/zinc/13/09/18/330130918.db2.gz ZDQBQXJTFYAMGV-UHFFFAOYSA-N 1 2 269.801 3.312 20 30 CGEDLO C=CCn1cc(C[NH2+]Cc2cc3cc(C)c(C)cc3o2)nn1 ZINC000424168502 330310223 /nfs/dbraw/zinc/31/02/23/330310223.db2.gz GBXKHDLTDPCUMK-UHFFFAOYSA-N 1 2 296.374 3.117 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442833461 330786025 /nfs/dbraw/zinc/78/60/25/330786025.db2.gz HZUJAEHOWCKOPN-IHRRRGAJSA-N 1 2 280.412 3.026 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463237124 331343502 /nfs/dbraw/zinc/34/35/02/331343502.db2.gz KDXKTBTVEQNWNX-KFWWJZLASA-N 1 2 294.439 3.416 20 30 CGEDLO C=CCCN(C)c1nc(N(C)CCC=C)c(Cl)c[nH+]1 ZINC000466372985 331393714 /nfs/dbraw/zinc/39/37/14/331393714.db2.gz JVRFTWZRQSPJOC-UHFFFAOYSA-N 1 2 280.803 3.155 20 30 CGEDLO C#C[C@H](CCC)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000491092561 332147922 /nfs/dbraw/zinc/14/79/22/332147922.db2.gz CILGVLDKJPKZBI-CQSZACIVSA-N 1 2 296.374 3.011 20 30 CGEDLO C#C[C@@H](CC)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000491192807 332163330 /nfs/dbraw/zinc/16/33/30/332163330.db2.gz SEUISCJNPLRXNW-ZDUSSCGKSA-N 1 2 295.342 3.407 20 30 CGEDLO C#CC[N@@H+](Cc1ccncc1F)[C@@H]1CCc2ccccc21 ZINC000491644805 332262957 /nfs/dbraw/zinc/26/29/57/332262957.db2.gz LUTOOSCPKUGZTP-GOSISDBHSA-N 1 2 280.346 3.343 20 30 CGEDLO C#CC[N@H+](Cc1ccncc1F)[C@@H]1CCc2ccccc21 ZINC000491644805 332262958 /nfs/dbraw/zinc/26/29/58/332262958.db2.gz LUTOOSCPKUGZTP-GOSISDBHSA-N 1 2 280.346 3.343 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccccc1OC)c1ccc(F)cc1 ZINC000491736488 332316934 /nfs/dbraw/zinc/31/69/34/332316934.db2.gz ATJORNSDZDSWFI-MRXNPFEDSA-N 1 2 269.319 3.298 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(Cl)cc1Cl ZINC000491782458 332346296 /nfs/dbraw/zinc/34/62/96/332346296.db2.gz MHGQGRYCYQFCSQ-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(Cl)cc1Cl ZINC000491782458 332346297 /nfs/dbraw/zinc/34/62/97/332346297.db2.gz MHGQGRYCYQFCSQ-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CC[N@@H+](Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000491813630 332365262 /nfs/dbraw/zinc/36/52/62/332365262.db2.gz BIEYXAJAWOOPPT-UHFFFAOYSA-N 1 2 260.337 3.033 20 30 CGEDLO C#CC[N@H+](Cc1nc2ccc(F)cc2s1)C1CC1 ZINC000491813630 332365263 /nfs/dbraw/zinc/36/52/63/332365263.db2.gz BIEYXAJAWOOPPT-UHFFFAOYSA-N 1 2 260.337 3.033 20 30 CGEDLO C=CC1CC[NH+](Cc2nc([C@H](C)OCC(C)C)no2)CC1 ZINC000173891616 332985095 /nfs/dbraw/zinc/98/50/95/332985095.db2.gz SSUYSSDFCVBXQH-ZDUSSCGKSA-N 1 2 293.411 3.201 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185588875 333144352 /nfs/dbraw/zinc/14/43/52/333144352.db2.gz SCNKKMXEPDNUSW-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185588875 333144354 /nfs/dbraw/zinc/14/43/54/333144354.db2.gz SCNKKMXEPDNUSW-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO CCN(CC)c1ccc(N[C@@H]2CCC[C@H](C#N)C2)c[nH+]1 ZINC000185868151 333150768 /nfs/dbraw/zinc/15/07/68/333150768.db2.gz FOWXMVUJJSTZCF-UONOGXRCSA-N 1 2 272.396 3.422 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000227351558 333281221 /nfs/dbraw/zinc/28/12/21/333281221.db2.gz ZLOTWHFBJYCTTC-UHFFFAOYSA-N 1 2 272.396 3.124 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(F)c(F)c(F)c2)c1 ZINC000546634276 334042252 /nfs/dbraw/zinc/04/22/52/334042252.db2.gz FJSKQGYDWBBPJG-UHFFFAOYSA-N 1 2 277.249 3.177 20 30 CGEDLO CCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1OC ZINC000546634049 334042309 /nfs/dbraw/zinc/04/23/09/334042309.db2.gz QZQDDFFYVPOESN-UHFFFAOYSA-N 1 2 297.358 3.167 20 30 CGEDLO C=C[C@](C)(CC)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000573043733 334902915 /nfs/dbraw/zinc/90/29/15/334902915.db2.gz ZOCFFTLWLAINTR-QGZVFWFLSA-N 1 2 296.374 3.470 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000580678579 335320862 /nfs/dbraw/zinc/32/08/62/335320862.db2.gz RUXGPBCWSFLDGM-HNNXBMFYSA-N 1 2 289.419 3.447 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000580678579 335320863 /nfs/dbraw/zinc/32/08/63/335320863.db2.gz RUXGPBCWSFLDGM-HNNXBMFYSA-N 1 2 289.419 3.447 20 30 CGEDLO Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c[nH+]1 ZINC000581106367 336008732 /nfs/dbraw/zinc/00/87/32/336008732.db2.gz NRHNARWWPCIUPH-UHFFFAOYSA-N 1 2 293.370 3.174 20 30 CGEDLO C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000381068979 336048647 /nfs/dbraw/zinc/04/86/47/336048647.db2.gz UHBYNOIEGOIHNK-NOZJJQNGSA-N 1 2 256.284 3.012 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccsc1Br ZINC000381675581 336070593 /nfs/dbraw/zinc/07/05/93/336070593.db2.gz XHHOPXHPLCQFLI-SECBINFHSA-N 1 2 298.209 3.044 20 30 CGEDLO C[C@H](CCC1CC1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329971885 533813874 /nfs/dbraw/zinc/81/38/74/533813874.db2.gz XWIGOFYRDDAGEB-GFCCVEGCSA-N 1 2 290.411 3.082 20 30 CGEDLO C[C@H](CCC1CC1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329971885 533813881 /nfs/dbraw/zinc/81/38/81/533813881.db2.gz XWIGOFYRDDAGEB-GFCCVEGCSA-N 1 2 290.411 3.082 20 30 CGEDLO Cc1ccc(CN(C#N)c2ccc(F)c(C#N)c2)c(C)[nH+]1 ZINC000358687916 533832090 /nfs/dbraw/zinc/83/20/90/533832090.db2.gz RIYSRGXWOFLORO-UHFFFAOYSA-N 1 2 280.306 3.197 20 30 CGEDLO Cc1cc(C)c(NC(=O)N2CCC(C)(C#N)CC2)c(C)[nH+]1 ZINC000334719104 534074270 /nfs/dbraw/zinc/07/42/70/534074270.db2.gz ZGXSZCARKFAKRG-UHFFFAOYSA-N 1 2 286.379 3.164 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000353163453 526504091 /nfs/dbraw/zinc/50/40/91/526504091.db2.gz MGQKBRDESBVFBZ-UHFFFAOYSA-N 1 2 294.761 3.068 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000353163453 526504095 /nfs/dbraw/zinc/50/40/95/526504095.db2.gz MGQKBRDESBVFBZ-UHFFFAOYSA-N 1 2 294.761 3.068 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc(C)cs1 ZINC000352800804 526559863 /nfs/dbraw/zinc/55/98/63/526559863.db2.gz PZCMLKNITHHKNP-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc(C)cs1 ZINC000352800804 526559869 /nfs/dbraw/zinc/55/98/69/526559869.db2.gz PZCMLKNITHHKNP-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO Cc1[nH+]c2ccccn2c1COc1ccc(C#N)c(F)c1 ZINC000151033999 527179385 /nfs/dbraw/zinc/17/93/85/527179385.db2.gz IWHYXEYDYHGHID-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO C=CCCCNC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000356040988 527213446 /nfs/dbraw/zinc/21/34/46/527213446.db2.gz PFANEOHJFXUNBY-UHFFFAOYSA-N 1 2 299.418 3.461 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353350678 527267758 /nfs/dbraw/zinc/26/77/58/527267758.db2.gz MBOUBRHZCIQDCF-GFCCVEGCSA-N 1 2 272.352 3.201 20 30 CGEDLO CCCn1c(C)nnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538596 528811067 /nfs/dbraw/zinc/81/10/67/528811067.db2.gz SIJJGQHXMJJBKG-ZDUSSCGKSA-N 1 2 297.406 3.061 20 30 CGEDLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538596 528811069 /nfs/dbraw/zinc/81/10/69/528811069.db2.gz SIJJGQHXMJJBKG-ZDUSSCGKSA-N 1 2 297.406 3.061 20 30 CGEDLO CC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)O1 ZINC000329748882 529253164 /nfs/dbraw/zinc/25/31/64/529253164.db2.gz FTXUSNFLQGJUBB-QWHCGFSZSA-N 1 2 273.336 3.188 20 30 CGEDLO C(=NNC1CCCC1)c1cccc(C=[NH+]NC2CCCC2)c1 ZINC000727652930 571760917 /nfs/dbraw/zinc/76/09/17/571760917.db2.gz WKVZITQGRAGFKE-UHFFFAOYSA-N 1 2 298.434 3.419 20 30 CGEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1C ZINC000730146871 571950567 /nfs/dbraw/zinc/95/05/67/571950567.db2.gz HNDDKIBCCUCVEO-UHFFFAOYSA-N 1 2 291.354 3.420 20 30 CGEDLO C[C@@H]1CC[C@H](/[NH+]=C\c2ccc(O)c(O)c2O)[C@H](C)C1 ZINC000733080844 572506853 /nfs/dbraw/zinc/50/68/53/572506853.db2.gz DAIYJDLRBPPLCZ-DZFGSQDDSA-N 1 2 263.337 3.047 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]\CC[C@@H]2CCCC[C@@H]2C)c1O ZINC000733904155 572612233 /nfs/dbraw/zinc/61/22/33/572612233.db2.gz VFVZWWMKXYCQFP-XDNFDDDSSA-N 1 2 290.407 3.223 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\[C@@H]2CC[C@@H](SC)C2)c1 ZINC000743042324 572635515 /nfs/dbraw/zinc/63/55/15/572635515.db2.gz IYRNNKYUPNVRFX-HODWKROWSA-N 1 2 265.378 3.104 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(Cl)nc2)cc1F ZINC000743449639 572663199 /nfs/dbraw/zinc/66/31/99/572663199.db2.gz BIALVWXUCQYGFT-UHFFFAOYSA-N 1 2 292.745 3.386 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2c(F)cccc2F)cc1 ZINC000735615707 572734564 /nfs/dbraw/zinc/73/45/64/572734564.db2.gz WLDVIUANPXZBPZ-UHFFFAOYSA-N 1 2 275.302 3.477 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000746456940 572871840 /nfs/dbraw/zinc/87/18/40/572871840.db2.gz STXBJODIXJVWQH-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000746456940 572871842 /nfs/dbraw/zinc/87/18/42/572871842.db2.gz STXBJODIXJVWQH-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccccc1 ZINC000747529804 572934040 /nfs/dbraw/zinc/93/40/40/572934040.db2.gz BGFIYQGDIDTTMG-UHFFFAOYSA-N 1 2 296.370 3.019 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1ccc(O)cc1)Cc1ccccc1 ZINC000747529804 572934043 /nfs/dbraw/zinc/93/40/43/572934043.db2.gz BGFIYQGDIDTTMG-UHFFFAOYSA-N 1 2 296.370 3.019 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(O)cc3)n21 ZINC000748997739 572987919 /nfs/dbraw/zinc/98/79/19/572987919.db2.gz BLIOPTKBTFGUPT-YFHOEESVSA-N 1 2 278.311 3.244 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cccc(C#N)c3)n21 ZINC000748998299 572987978 /nfs/dbraw/zinc/98/79/78/572987978.db2.gz PMZMZZNTAAJURN-HJWRWDBZSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000750283487 573107052 /nfs/dbraw/zinc/10/70/52/573107052.db2.gz UYKOFCOWSOBKOG-UHFFFAOYSA-N 1 2 290.798 3.104 20 30 CGEDLO C=CC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000898461077 620590652 /nfs/dbraw/zinc/59/06/52/620590652.db2.gz ZJQVDKIPDCQJMD-UHFFFAOYSA-N 1 2 288.160 3.348 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC000950663116 613295612 /nfs/dbraw/zinc/29/56/12/613295612.db2.gz PNOKTJZZZQIIQZ-WBVHZDCISA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970288395 613371588 /nfs/dbraw/zinc/37/15/88/613371588.db2.gz RELNJKVDOHYBFR-OCCSQVGLSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970380959 613372210 /nfs/dbraw/zinc/37/22/10/613372210.db2.gz RQMUAXJGJDDGPZ-QWHCGFSZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763388 613379766 /nfs/dbraw/zinc/37/97/66/613379766.db2.gz KPWQRQRALWSOOZ-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763388 613379767 /nfs/dbraw/zinc/37/97/67/613379767.db2.gz KPWQRQRALWSOOZ-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974717412 613380917 /nfs/dbraw/zinc/38/09/17/613380917.db2.gz HXJYQUUNFKOCNE-OCCSQVGLSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974717412 613380918 /nfs/dbraw/zinc/38/09/18/613380918.db2.gz HXJYQUUNFKOCNE-OCCSQVGLSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000951781215 613709508 /nfs/dbraw/zinc/70/95/08/613709508.db2.gz OIXIIGHBEOMZKY-HZPDHXFCSA-N 1 2 292.467 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006834318 618108958 /nfs/dbraw/zinc/10/89/58/618108958.db2.gz QXLQCWSRPFTERI-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006834318 618108959 /nfs/dbraw/zinc/10/89/59/618108959.db2.gz QXLQCWSRPFTERI-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(C#N)cc3)c[nH+]c12 ZINC000255443353 618500445 /nfs/dbraw/zinc/50/04/45/618500445.db2.gz RJKRBICHGIWYKK-HJWRWDBZSA-N 1 2 287.322 3.411 20 30 CGEDLO Cc1ccoc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000255491384 618591904 /nfs/dbraw/zinc/59/19/04/618591904.db2.gz KHODTWGFUFRHBK-WAYWQWQTSA-N 1 2 252.273 3.132 20 30 CGEDLO C=CCCC[NH2+]Cc1cccc(Br)c1O ZINC000308824235 618624850 /nfs/dbraw/zinc/62/48/50/618624850.db2.gz QTSQQSQEMYGJPB-UHFFFAOYSA-N 1 2 270.170 3.211 20 30 CGEDLO C#CCCCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925527057 619022997 /nfs/dbraw/zinc/02/29/97/619022997.db2.gz OFPXAEVYQWGERA-OAHLLOKOSA-N 1 2 256.349 3.108 20 30 CGEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCC#N ZINC000894083328 619365463 /nfs/dbraw/zinc/36/54/63/619365463.db2.gz NGAVOLNSIBENTN-UHFFFAOYSA-N 1 2 281.381 3.098 20 30 CGEDLO Cc1ncoc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000894359955 619504151 /nfs/dbraw/zinc/50/41/51/619504151.db2.gz VIQCAAIEHQNBJJ-AWEZNQCLSA-N 1 2 255.321 3.118 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000072916968 625370795 /nfs/dbraw/zinc/37/07/95/625370795.db2.gz DMJMITYCRNIJMG-CQSZACIVSA-N 1 2 294.468 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=S ZINC000072916968 625370799 /nfs/dbraw/zinc/37/07/99/625370799.db2.gz DMJMITYCRNIJMG-CQSZACIVSA-N 1 2 294.468 3.234 20 30 CGEDLO COc1ccc(C[NH2+]CC2(C#N)CCCC2)c(F)c1OC ZINC000895133659 619747107 /nfs/dbraw/zinc/74/71/07/619747107.db2.gz NKNVXRXHQVHQMP-UHFFFAOYSA-N 1 2 292.354 3.016 20 30 CGEDLO COCC1(CC/[NH+]=C/c2cccc(OC)c2O)CCC1 ZINC000840705550 620075099 /nfs/dbraw/zinc/07/50/99/620075099.db2.gz GNIWIBFKOOVBKF-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO C=C[C@@H](CC(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000896915575 620098499 /nfs/dbraw/zinc/09/84/99/620098499.db2.gz ICEUXPOWTOEPFR-AWEZNQCLSA-N 1 2 283.375 3.003 20 30 CGEDLO C=C1CC(C)(c2noc(Cc3cn4cc(F)ccc4[nH+]3)n2)C1 ZINC000896922613 620103071 /nfs/dbraw/zinc/10/30/71/620103071.db2.gz ULPATUIBPSBGNJ-UHFFFAOYSA-N 1 2 298.321 3.055 20 30 CGEDLO CC(C)n1cc(C[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000897625116 620412783 /nfs/dbraw/zinc/41/27/83/620412783.db2.gz DPCKYUVDDZWVML-UHFFFAOYSA-N 1 2 274.393 3.029 20 30 CGEDLO CC(C)n1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000897625116 620412786 /nfs/dbraw/zinc/41/27/86/620412786.db2.gz DPCKYUVDDZWVML-UHFFFAOYSA-N 1 2 274.393 3.029 20 30 CGEDLO CCCCCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899003 620607645 /nfs/dbraw/zinc/60/76/45/620607645.db2.gz BBVOWVQOONXNSZ-UHFFFAOYSA-N 1 2 265.401 3.095 20 30 CGEDLO CC1(C)C[C@H](C/[NH+]=C/c2cccc(O)c2O)C(C)(C)O1 ZINC000899228045 620627214 /nfs/dbraw/zinc/62/72/14/620627214.db2.gz XJAKLYQSKVYSED-UDPFGDFPSA-N 1 2 277.364 3.110 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1csc(N)n1)c1ccco1 ZINC000902497890 621345364 /nfs/dbraw/zinc/34/53/64/621345364.db2.gz BGXAXFVBOZAMOS-LLVKDONJSA-N 1 2 263.366 3.115 20 30 CGEDLO N#CC1(CCCCO[NH+]=C(N)c2ccc(F)cc2)CCC1 ZINC000902693996 621404017 /nfs/dbraw/zinc/40/40/17/621404017.db2.gz VYJKPNNFRXMIQJ-UHFFFAOYSA-N 1 2 289.354 3.327 20 30 CGEDLO CC(C)c1csc(C[NH2+][C@H](C)c2cc(C#N)ccn2)n1 ZINC000902845008 621471916 /nfs/dbraw/zinc/47/19/16/621471916.db2.gz PZIKQFVQZQKAFD-LLVKDONJSA-N 1 2 286.404 3.384 20 30 CGEDLO F[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000902993954 621515574 /nfs/dbraw/zinc/51/55/74/621515574.db2.gz ZOXPRZIMEZWWHY-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO F[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000902993954 621515581 /nfs/dbraw/zinc/51/55/81/621515581.db2.gz ZOXPRZIMEZWWHY-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(C#N)ccn1 ZINC000903052978 621557165 /nfs/dbraw/zinc/55/71/65/621557165.db2.gz MOIOTBYIDOCGGP-CYBMUJFWSA-N 1 2 268.364 3.078 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc2ccccc2n1 ZINC000903105487 621578279 /nfs/dbraw/zinc/57/82/79/621578279.db2.gz CRDCADUKBNGLNU-GFCCVEGCSA-N 1 2 251.333 3.189 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)cn1 ZINC000903109322 621582589 /nfs/dbraw/zinc/58/25/89/621582589.db2.gz NLKYJTCQXFAFRC-SECBINFHSA-N 1 2 269.270 3.055 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccc(C#N)c1O ZINC000903318567 621689295 /nfs/dbraw/zinc/68/92/95/621689295.db2.gz QHYFMOONAMODFW-RBDSIQFVSA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cccc(C#N)c1O ZINC000903429836 621743212 /nfs/dbraw/zinc/74/32/12/621743212.db2.gz SSCHMVIRCSVYTD-YVEFUNNKSA-N 1 2 293.370 3.461 20 30 CGEDLO C=CCCc1noc([C@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904123849 621873832 /nfs/dbraw/zinc/87/38/32/621873832.db2.gz RQCPFVLCMKDOAD-GFCCVEGCSA-N 1 2 297.280 3.255 20 30 CGEDLO CC(=NO[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905456593 622077922 /nfs/dbraw/zinc/07/79/22/622077922.db2.gz LDMIRAFQLFTIOT-MRXNPFEDSA-N 1 2 285.347 3.140 20 30 CGEDLO C=CCc1cccc(C(C)C)c1NC(=O)Cc1c[nH]c[nH+]1 ZINC000907676637 622306532 /nfs/dbraw/zinc/30/65/32/622306532.db2.gz LHPWINCTJHHSJC-UHFFFAOYSA-N 1 2 283.375 3.443 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4c(cccc4O)C3=O)n2c1 ZINC000151399845 622779241 /nfs/dbraw/zinc/77/92/41/622779241.db2.gz GTGZHOHIZCXTFE-GHXNOFRVSA-N 1 2 290.322 3.171 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)o1 ZINC000151398837 622779670 /nfs/dbraw/zinc/77/96/70/622779670.db2.gz VNVQMRSBMQSMLJ-AATRIKPKSA-N 1 2 266.300 3.440 20 30 CGEDLO C#CC[N@H+](Cc1cnc2ccccn12)Cc1ccc(F)cc1 ZINC000157835596 622965809 /nfs/dbraw/zinc/96/58/09/622965809.db2.gz WJCUSVLZSKKYGE-UHFFFAOYSA-N 1 2 293.345 3.109 20 30 CGEDLO C#CC[N@@H+](Cc1cnc2ccccn12)Cc1ccc(F)cc1 ZINC000157835596 622965816 /nfs/dbraw/zinc/96/58/16/622965816.db2.gz WJCUSVLZSKKYGE-UHFFFAOYSA-N 1 2 293.345 3.109 20 30 CGEDLO C=CCCC[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000921642452 625740260 /nfs/dbraw/zinc/74/02/60/625740260.db2.gz ABFYWSLLEWEEIF-INIZCTEOSA-N 1 2 283.375 3.166 20 30 CGEDLO C=CCCC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000921643469 625766115 /nfs/dbraw/zinc/76/61/15/625766115.db2.gz DANHMHPHWYLLNB-INIZCTEOSA-N 1 2 283.375 3.097 20 30 CGEDLO C=CCCC[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000921644170 625782596 /nfs/dbraw/zinc/78/25/96/625782596.db2.gz HNVNYWVTNNCNDJ-HNNXBMFYSA-N 1 2 283.375 3.166 20 30 CGEDLO N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000839052591 626301909 /nfs/dbraw/zinc/30/19/09/626301909.db2.gz HHZWGMODROTRBX-XJKSGUPXSA-N 1 2 295.342 3.111 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1)C(=O)OC ZINC000839167425 626324725 /nfs/dbraw/zinc/32/47/25/626324725.db2.gz DFNDWYRUDOVSHP-SPUZQDLCSA-N 1 2 299.414 3.113 20 30 CGEDLO CC(C)(CC#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000839163842 626330531 /nfs/dbraw/zinc/33/05/31/626330531.db2.gz RYBWWVGEMBAQET-UHFFFAOYSA-N 1 2 252.745 3.075 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000103460837 626353161 /nfs/dbraw/zinc/35/31/61/626353161.db2.gz IGNFRJGYLCJZKE-NSHDSACASA-N 1 2 276.380 3.129 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000103460837 626353165 /nfs/dbraw/zinc/35/31/65/626353165.db2.gz IGNFRJGYLCJZKE-NSHDSACASA-N 1 2 276.380 3.129 20 30 CGEDLO CCc1ncc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000752164813 626420494 /nfs/dbraw/zinc/42/04/94/626420494.db2.gz LREXOWKEYVGWSN-UHFFFAOYSA-N 1 2 282.372 3.122 20 30 CGEDLO C=CCSCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756681176 626726428 /nfs/dbraw/zinc/72/64/28/626726428.db2.gz HTDKLZQNHOANKY-SECBINFHSA-N 1 2 273.348 3.240 20 30 CGEDLO NC(=[NH+]OCCSc1ccccc1)c1ccc(F)cc1 ZINC000758765770 626858955 /nfs/dbraw/zinc/85/89/55/626858955.db2.gz XCDATHRVZDMFNX-UHFFFAOYSA-N 1 2 290.363 3.255 20 30 CGEDLO C#CCCCCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000760276870 626953742 /nfs/dbraw/zinc/95/37/42/626953742.db2.gz UQHMHNKOVJZYJZ-KRWDZBQOSA-N 1 2 287.403 3.416 20 30 CGEDLO C#CCCCCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000760276870 626953746 /nfs/dbraw/zinc/95/37/46/626953746.db2.gz UQHMHNKOVJZYJZ-KRWDZBQOSA-N 1 2 287.403 3.416 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(OCC)n1 ZINC000769146169 627525991 /nfs/dbraw/zinc/52/59/91/627525991.db2.gz NVMKFWCOJBRKHY-UHFFFAOYSA-N 1 2 298.361 3.255 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OCC)n1 ZINC000769146169 627525994 /nfs/dbraw/zinc/52/59/94/627525994.db2.gz NVMKFWCOJBRKHY-UHFFFAOYSA-N 1 2 298.361 3.255 20 30 CGEDLO O=C1c2c(c(F)ccc2F)C/C1=C\c1cccc2[nH+]ccn21 ZINC000769616461 627569790 /nfs/dbraw/zinc/56/97/90/627569790.db2.gz YHVSKPYTLNTHAR-CSKARUKUSA-N 1 2 296.276 3.435 20 30 CGEDLO CCc1ccccc1NN=Cc1cccc2[nH+]ccn21 ZINC000771099675 627682757 /nfs/dbraw/zinc/68/27/57/627682757.db2.gz YNMRFSOJVMWLBL-UHFFFAOYSA-N 1 2 264.332 3.343 20 30 CGEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000775342669 628084734 /nfs/dbraw/zinc/08/47/34/628084734.db2.gz SGBVIBJSSVVFBX-GOEBONIOSA-N 1 2 298.411 3.081 20 30 CGEDLO CCC[C@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000775701378 628127608 /nfs/dbraw/zinc/12/76/08/628127608.db2.gz LILFRLABHSGWDS-MJGOQNOKSA-N 1 2 297.446 3.242 20 30 CGEDLO CCC[C@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000775701378 628127610 /nfs/dbraw/zinc/12/76/10/628127610.db2.gz LILFRLABHSGWDS-MJGOQNOKSA-N 1 2 297.446 3.242 20 30 CGEDLO Cc1cccn2c(CN=Nc3cc(Cl)ccn3)c[nH+]c12 ZINC000777907153 628310215 /nfs/dbraw/zinc/31/02/15/628310215.db2.gz OMJFWKWQDGAEEL-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)[NH+](CC)CC ZINC000778611232 628361059 /nfs/dbraw/zinc/36/10/59/628361059.db2.gz COAOYDMKHLSEAG-TZMCWYRMSA-N 1 2 299.374 3.124 20 30 CGEDLO Cc1ccnc(NCc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000784156664 628788725 /nfs/dbraw/zinc/78/87/25/628788725.db2.gz JYTNELXHVULYDN-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO Cc1cc(C#N)cc(NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000786805800 628964661 /nfs/dbraw/zinc/96/46/61/628964661.db2.gz SJNOUFVJNHTYPF-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO CCCCCCCCCS(=O)(=O)Cc1c[nH+]cn1C ZINC000790146475 629186553 /nfs/dbraw/zinc/18/65/53/629186553.db2.gz XRIFOFZOBAVPTC-UHFFFAOYSA-N 1 2 286.441 3.086 20 30 CGEDLO Cc1cc(C(F)(F)F)ccc1C=NNc1[nH+]ccn1C ZINC000790305311 629202319 /nfs/dbraw/zinc/20/23/19/629202319.db2.gz JHZMQHBKOSLNKQ-UHFFFAOYSA-N 1 2 282.269 3.193 20 30 CGEDLO C=C1CCC(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000888678213 634730166 /nfs/dbraw/zinc/73/01/66/634730166.db2.gz OQYRTRBSIWNSNX-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO C#CC[C@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000862448084 629381268 /nfs/dbraw/zinc/38/12/68/629381268.db2.gz WRJMMNNTMLGDAO-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@H]1CC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000862448084 629381276 /nfs/dbraw/zinc/38/12/76/629381276.db2.gz WRJMMNNTMLGDAO-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125592871 634733392 /nfs/dbraw/zinc/73/33/92/634733392.db2.gz DWBFRNGWIWTZCK-ZDUSSCGKSA-N 1 2 279.815 3.271 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125592871 634733397 /nfs/dbraw/zinc/73/33/97/634733397.db2.gz DWBFRNGWIWTZCK-ZDUSSCGKSA-N 1 2 279.815 3.271 20 30 CGEDLO C=CCC[C@H](C(=O)OCCc1c[nH+]cn1C)c1ccccc1 ZINC000793257752 629436715 /nfs/dbraw/zinc/43/67/15/629436715.db2.gz ZBCLWKDIGVSQFP-KRWDZBQOSA-N 1 2 298.386 3.256 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCCS2)c1 ZINC000864347310 629815992 /nfs/dbraw/zinc/81/59/92/629815992.db2.gz OSAOWEIDMCCXCP-LERPTODRSA-N 1 2 265.378 3.105 20 30 CGEDLO CN1CCCc2cc([NH2+][C@H]3CC[C@H](C#N)C3)ccc21 ZINC000799725160 630225529 /nfs/dbraw/zinc/22/55/29/630225529.db2.gz VCTPHIIKQLEWAF-JSGCOSHPSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@@H+]1CCCc2cc(N[C@H]3CC[C@H](C#N)C3)ccc21 ZINC000799725160 630225533 /nfs/dbraw/zinc/22/55/33/630225533.db2.gz VCTPHIIKQLEWAF-JSGCOSHPSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@H+]1CCCc2cc(N[C@H]3CC[C@H](C#N)C3)ccc21 ZINC000799725160 630225536 /nfs/dbraw/zinc/22/55/36/630225536.db2.gz VCTPHIIKQLEWAF-JSGCOSHPSA-N 1 2 255.365 3.173 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C[C@@H](C)O1 ZINC000799725156 630225694 /nfs/dbraw/zinc/22/56/94/630225694.db2.gz VBIOIUZPISIUQN-PNBKFKSVSA-N 1 2 299.418 3.404 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(C)c1OC ZINC000809638336 630770488 /nfs/dbraw/zinc/77/04/88/630770488.db2.gz GTIBCIOWAMTFHN-KRWDZBQOSA-N 1 2 288.391 3.138 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(C)c1OC ZINC000809638336 630770490 /nfs/dbraw/zinc/77/04/90/630770490.db2.gz GTIBCIOWAMTFHN-KRWDZBQOSA-N 1 2 288.391 3.138 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810651748 630917920 /nfs/dbraw/zinc/91/79/20/630917920.db2.gz RKURCJUUAZHTMZ-OAHLLOKOSA-N 1 2 298.386 3.372 20 30 CGEDLO CC(=NOCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000814243423 631557831 /nfs/dbraw/zinc/55/78/31/631557831.db2.gz VEQNMUUMIKRTPC-UHFFFAOYSA-N 1 2 255.321 3.023 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@@H+](C)CC(C)(C)C#N)c2cc1C ZINC000814669266 631618927 /nfs/dbraw/zinc/61/89/27/631618927.db2.gz OLDQYDRHQBKGFK-UHFFFAOYSA-N 1 2 298.386 3.391 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@H+](C)CC(C)(C)C#N)c2cc1C ZINC000814669266 631618938 /nfs/dbraw/zinc/61/89/38/631618938.db2.gz OLDQYDRHQBKGFK-UHFFFAOYSA-N 1 2 298.386 3.391 20 30 CGEDLO CC(C)[C@@H]1CC(=[NH+]n2cc(Br)cn2)CS1 ZINC000814884761 631665127 /nfs/dbraw/zinc/66/51/27/631665127.db2.gz XVCLRJAMIZPREN-JTQLQIEISA-N 1 2 288.214 3.011 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000815280856 631753517 /nfs/dbraw/zinc/75/35/17/631753517.db2.gz SWQLTVNKHGCKHQ-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000815280856 631753520 /nfs/dbraw/zinc/75/35/20/631753520.db2.gz SWQLTVNKHGCKHQ-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO N#CCC[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000819263059 632414311 /nfs/dbraw/zinc/41/43/11/632414311.db2.gz QXLCMXYJNGZICU-SNVBAGLBSA-N 1 2 271.147 3.320 20 30 CGEDLO COc1cccc2cc(C(=O)/C=C/c3ccc(N)[nH+]c3)oc21 ZINC000821032536 632715287 /nfs/dbraw/zinc/71/52/87/632715287.db2.gz UVBFLNLZTYYDIU-FNORWQNLSA-N 1 2 294.310 3.315 20 30 CGEDLO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)CCO1 ZINC000866287869 633067051 /nfs/dbraw/zinc/06/70/51/633067051.db2.gz AXSWGTPASHYLMM-JGGQBBKZSA-N 1 2 288.391 3.118 20 30 CGEDLO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866308866 633075941 /nfs/dbraw/zinc/07/59/41/633075941.db2.gz IMZZCYIUJAIPIL-CYBMUJFWSA-N 1 2 296.370 3.432 20 30 CGEDLO C[C@@H]([NH2+]CCCC(C)(F)F)c1cccc(C#N)c1O ZINC000866362755 633101365 /nfs/dbraw/zinc/10/13/65/633101365.db2.gz HKUHZYJDJZEVSL-SNVBAGLBSA-N 1 2 268.307 3.350 20 30 CGEDLO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866363318 633102768 /nfs/dbraw/zinc/10/27/68/633102768.db2.gz IXSYAJKGBFXAGV-KGLIPLIRSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866367570 633105066 /nfs/dbraw/zinc/10/50/66/633105066.db2.gz KWQRIBWLWPYJBY-RNCFNFMXSA-N 1 2 299.201 3.498 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(C#N)c1O ZINC000866385913 633114512 /nfs/dbraw/zinc/11/45/12/633114512.db2.gz SNLFJLUGDXQCEK-QWHCGFSZSA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000866386864 633115710 /nfs/dbraw/zinc/11/57/10/633115710.db2.gz IDKVUSSABKCXLL-MRVWCRGKSA-N 1 2 288.391 3.261 20 30 CGEDLO CCC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)OCC ZINC000866396115 633121626 /nfs/dbraw/zinc/12/16/26/633121626.db2.gz NDOUVCVQBJPGSA-GXTWGEPZSA-N 1 2 276.380 3.120 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000826861713 633437987 /nfs/dbraw/zinc/43/79/87/633437987.db2.gz IYKMWLWCXXXHCK-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000826861713 633437990 /nfs/dbraw/zinc/43/79/90/633437990.db2.gz IYKMWLWCXXXHCK-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000829788562 633784478 /nfs/dbraw/zinc/78/44/78/633784478.db2.gz AKUVQXOVSUIHBJ-STQMWFEESA-N 1 2 293.436 3.119 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000829788562 633784482 /nfs/dbraw/zinc/78/44/82/633784482.db2.gz AKUVQXOVSUIHBJ-STQMWFEESA-N 1 2 293.436 3.119 20 30 CGEDLO C=C1CCC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000830985197 633904443 /nfs/dbraw/zinc/90/44/43/633904443.db2.gz LWLVILDTKWSIRA-MRXNPFEDSA-N 1 2 289.423 3.333 20 30 CGEDLO CSc1nnc(SC)n1[NH+]=CCc1ccc(C)cc1 ZINC000872417595 634140644 /nfs/dbraw/zinc/14/06/44/634140644.db2.gz GICOHQZGWRRFHA-UHFFFAOYSA-N 1 2 292.433 3.107 20 30 CGEDLO C=CCC[C@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000834902498 634278714 /nfs/dbraw/zinc/27/87/14/634278714.db2.gz BOXXWSXWGWZAOY-BXUZGUMPSA-N 1 2 283.799 3.413 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877312057 635023706 /nfs/dbraw/zinc/02/37/06/635023706.db2.gz CWBLMTANIVOMML-KRWDZBQOSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877312057 635023710 /nfs/dbraw/zinc/02/37/10/635023710.db2.gz CWBLMTANIVOMML-KRWDZBQOSA-N 1 2 283.350 3.500 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H]2CCOC(C)(C)C2)c1O ZINC000840710347 635039019 /nfs/dbraw/zinc/03/90/19/635039019.db2.gz QGWPEVLHFIZDSH-OOIIIRTPSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OCC ZINC000877671851 635141556 /nfs/dbraw/zinc/14/15/56/635141556.db2.gz QEPKRIMWCHXHRM-QWHCGFSZSA-N 1 2 271.788 3.149 20 30 CGEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000877906328 635262906 /nfs/dbraw/zinc/26/29/06/635262906.db2.gz OMHCHFIEAJYQTP-SFHVURJKSA-N 1 2 296.370 3.152 20 30 CGEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000877906328 635262911 /nfs/dbraw/zinc/26/29/11/635262911.db2.gz OMHCHFIEAJYQTP-SFHVURJKSA-N 1 2 296.370 3.152 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)nc1Cl ZINC000878389792 635485095 /nfs/dbraw/zinc/48/50/95/635485095.db2.gz UXDGZLHEGFBSLQ-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO C[C@@H](CC(=O)OCCC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000845286277 636020736 /nfs/dbraw/zinc/02/07/36/636020736.db2.gz POYSTBUBJBVSLA-AWEZNQCLSA-N 1 2 289.379 3.242 20 30 CGEDLO C=CC[C@H]1CC[C@@H]([NH2+]CC(F)(F)Br)C1 ZINC000846058416 636139607 /nfs/dbraw/zinc/13/96/07/636139607.db2.gz OBLWTOTUFNQZIE-DTWKUNHWSA-N 1 2 268.145 3.309 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000846991227 636302482 /nfs/dbraw/zinc/30/24/82/636302482.db2.gz HCXJDRJRTOSYBX-CJNGLKHVSA-N 1 2 295.386 3.449 20 30 CGEDLO Cc1cccc(C)c1CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000130136982 636421142 /nfs/dbraw/zinc/42/11/42/636421142.db2.gz WHXXITZKKKTBNS-VCHYOVAHSA-N 1 2 285.343 3.082 20 30 CGEDLO C(=NNCCCn1cc[nH+]c1)c1ccc(C2CCC2)cc1 ZINC000848416163 636571358 /nfs/dbraw/zinc/57/13/58/636571358.db2.gz AXAABPOBJFYREM-UHFFFAOYSA-N 1 2 282.391 3.164 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(Cl)nc2)ccc1F ZINC000131225007 636585404 /nfs/dbraw/zinc/58/54/04/636585404.db2.gz AVDBQKDPZQGBLQ-UHFFFAOYSA-N 1 2 293.729 3.020 20 30 CGEDLO COc1ccc(CNc2c[nH+]c(C)c(C)c2)cc1C#N ZINC000883342243 636689893 /nfs/dbraw/zinc/68/98/93/636689893.db2.gz PPFNHDDQCQPFMQ-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C=C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000851451650 637397841 /nfs/dbraw/zinc/39/78/41/637397841.db2.gz KJUXFQRRURFDMK-UKRRQHHQSA-N 1 2 270.332 3.305 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1csc(C)n1 ZINC000853183809 637776371 /nfs/dbraw/zinc/77/63/71/637776371.db2.gz YHFIXWDFJMLILH-UHFFFAOYSA-N 1 2 287.388 3.251 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CC(C)(C)CO2)c1 ZINC000887269924 637786988 /nfs/dbraw/zinc/78/69/88/637786988.db2.gz DIZJBLQFBKTQJH-FBJMNJBLSA-N 1 2 277.364 3.025 20 30 CGEDLO C[C@@H]1CCCCN1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000853379774 637828535 /nfs/dbraw/zinc/82/85/35/637828535.db2.gz JKERGBJCTOHKFR-CQSZACIVSA-N 1 2 268.364 3.081 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1CC[C@H](C(C)C)C1=O ZINC000853489361 637854851 /nfs/dbraw/zinc/85/48/51/637854851.db2.gz PFMQTXXFVBDLII-QGZVFWFLSA-N 1 2 286.419 3.137 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC[C@H](C(C)C)C1=O ZINC000853489361 637854853 /nfs/dbraw/zinc/85/48/53/637854853.db2.gz PFMQTXXFVBDLII-QGZVFWFLSA-N 1 2 286.419 3.137 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(OCC)sc2=S)C1 ZINC000853536678 637864146 /nfs/dbraw/zinc/86/41/46/637864146.db2.gz HVQXCGAMLXLXMW-LLVKDONJSA-N 1 2 299.465 3.318 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(OCC)sc2=S)C1 ZINC000853536678 637864150 /nfs/dbraw/zinc/86/41/50/637864150.db2.gz HVQXCGAMLXLXMW-LLVKDONJSA-N 1 2 299.465 3.318 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ccc(C(F)(F)F)n1 ZINC000853598944 637871284 /nfs/dbraw/zinc/87/12/84/637871284.db2.gz ZBWOKCICFVUAQP-PHIMTYICSA-N 1 2 271.286 3.042 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(C(F)(F)F)n1 ZINC000853598944 637871287 /nfs/dbraw/zinc/87/12/87/637871287.db2.gz ZBWOKCICFVUAQP-PHIMTYICSA-N 1 2 271.286 3.042 20 30 CGEDLO CC[C@@H](CO[NH+]=C(N)c1ccc(F)cc1)CC(F)F ZINC000853645571 637880654 /nfs/dbraw/zinc/88/06/54/637880654.db2.gz AXOWLODVVBFFSL-SECBINFHSA-N 1 2 274.286 3.144 20 30 CGEDLO CC[C@H]([NH2+]CCCOC(C)C)c1cccc(C#N)c1O ZINC000924551937 638360684 /nfs/dbraw/zinc/36/06/84/638360684.db2.gz XMHCRVKDQBQVCI-HNNXBMFYSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1Cl ZINC000857049691 638442368 /nfs/dbraw/zinc/44/23/68/638442368.db2.gz PLMZOFKNDYVLED-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857049691 638442372 /nfs/dbraw/zinc/44/23/72/638442372.db2.gz PLMZOFKNDYVLED-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO CCCCCCCC[C@@H](C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857884282 638592695 /nfs/dbraw/zinc/59/26/95/638592695.db2.gz GIURUYJKAHJHST-CABCVRRESA-N 1 2 291.439 3.311 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925928864 638657001 /nfs/dbraw/zinc/65/70/01/638657001.db2.gz FVXHANPERPQTGC-WCQYABFASA-N 1 2 280.318 3.492 20 30 CGEDLO C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000925932852 638659050 /nfs/dbraw/zinc/65/90/50/638659050.db2.gz QAYCWGGALJZEAS-CYBMUJFWSA-N 1 2 272.396 3.422 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+]CC(F)(F)CC)cc1 ZINC000858506372 638749306 /nfs/dbraw/zinc/74/93/06/638749306.db2.gz ATPGFKJDTLYKGF-LBPRGKRZSA-N 1 2 267.319 3.395 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(CC)o1)Cc1ccc(OC)cc1 ZINC000929317933 638917994 /nfs/dbraw/zinc/91/79/94/638917994.db2.gz OVCMLTXPQMSNDZ-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO C=CC[N@H+](Cc1cnc(CC)o1)Cc1ccc(OC)cc1 ZINC000929317933 638917995 /nfs/dbraw/zinc/91/79/95/638917995.db2.gz OVCMLTXPQMSNDZ-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C)nnc1C ZINC000929778307 638949622 /nfs/dbraw/zinc/94/96/22/638949622.db2.gz GGGWRQFZNNWSTF-UHFFFAOYSA-N 1 2 274.412 3.245 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C)nnc1C ZINC000929778307 638949624 /nfs/dbraw/zinc/94/96/24/638949624.db2.gz GGGWRQFZNNWSTF-UHFFFAOYSA-N 1 2 274.412 3.245 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000931061672 639106232 /nfs/dbraw/zinc/10/62/32/639106232.db2.gz ATTKMKZFBWGIFY-AWEZNQCLSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000931061672 639106235 /nfs/dbraw/zinc/10/62/35/639106235.db2.gz ATTKMKZFBWGIFY-AWEZNQCLSA-N 1 2 282.746 3.093 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000932158333 639279407 /nfs/dbraw/zinc/27/94/07/639279407.db2.gz DFUDJZMHBQKMKM-CYBMUJFWSA-N 1 2 298.308 3.363 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000932158333 639279410 /nfs/dbraw/zinc/27/94/10/639279410.db2.gz DFUDJZMHBQKMKM-CYBMUJFWSA-N 1 2 298.308 3.363 20 30 CGEDLO N#CCCC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932254171 639301658 /nfs/dbraw/zinc/30/16/58/639301658.db2.gz SVFZZBJZPZHZGD-CYBMUJFWSA-N 1 2 294.196 3.285 20 30 CGEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932254171 639301665 /nfs/dbraw/zinc/30/16/65/639301665.db2.gz SVFZZBJZPZHZGD-CYBMUJFWSA-N 1 2 294.196 3.285 20 30 CGEDLO C=CC[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000860899445 639458531 /nfs/dbraw/zinc/45/85/31/639458531.db2.gz YBDGTXDGPMKVOI-SECBINFHSA-N 1 2 294.301 3.131 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465041 639613469 /nfs/dbraw/zinc/61/34/69/639613469.db2.gz BXUMJSZAEXQJGL-PWSUYJOCSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465041 639613473 /nfs/dbraw/zinc/61/34/73/639613473.db2.gz BXUMJSZAEXQJGL-PWSUYJOCSA-N 1 2 296.773 3.457 20 30 CGEDLO N#Cc1cncc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)c1 ZINC001250994774 805820606 /nfs/dbraw/zinc/82/06/06/805820606.db2.gz ONKWLWSRRMAFNL-UHFFFAOYSA-N 1 2 289.342 3.097 20 30 CGEDLO C#C[C@](C)(CC)Nc1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001158737807 805993224 /nfs/dbraw/zinc/99/32/24/805993224.db2.gz KZZXOZNCVWYWEU-MRXNPFEDSA-N 1 2 274.364 3.089 20 30 CGEDLO COc1c[nH+]c(NCc2ccc(C#N)c(F)c2)c(C)c1 ZINC001159085056 806040317 /nfs/dbraw/zinc/04/03/17/806040317.db2.gz ZMVPEDZZAJKAAB-UHFFFAOYSA-N 1 2 271.295 3.022 20 30 CGEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001252557362 806064595 /nfs/dbraw/zinc/06/45/95/806064595.db2.gz LRKQBIUBPQQACX-CABCVRRESA-N 1 2 281.346 3.048 20 30 CGEDLO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001252557362 806064598 /nfs/dbraw/zinc/06/45/98/806064598.db2.gz LRKQBIUBPQQACX-CABCVRRESA-N 1 2 281.346 3.048 20 30 CGEDLO C=C[C@@](C)(O)C[NH2+][C@@](CC)(CCCCCC)C(=O)OCC ZINC001252584817 806075398 /nfs/dbraw/zinc/07/53/98/806075398.db2.gz GGEHNWZTMIDRFK-SJORKVTESA-N 1 2 299.455 3.195 20 30 CGEDLO Cc1cc(NCC#Cc2ccccc2)nc(C(C)C)[nH+]1 ZINC001159375608 806091014 /nfs/dbraw/zinc/09/10/14/806091014.db2.gz CIUMNRWGYVGQMG-UHFFFAOYSA-N 1 2 265.360 3.372 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC001253246689 806193830 /nfs/dbraw/zinc/19/38/30/806193830.db2.gz BWQLDFJSBSRMPO-LSDHHAIUSA-N 1 2 299.455 3.051 20 30 CGEDLO C=C[C@@H](O)CNc1ccc2[nH+]c3ccccc3cc2c1 ZINC001253592745 806268169 /nfs/dbraw/zinc/26/81/69/806268169.db2.gz WVMUBUCDAIOYGX-OAHLLOKOSA-N 1 2 264.328 3.347 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254644420 806469973 /nfs/dbraw/zinc/46/99/73/806469973.db2.gz XKHKIZLREADBLM-FQUUOJAGSA-N 1 2 280.412 3.025 20 30 CGEDLO N#CCc1ccc[nH+]c1NCc1cccc(OC(F)F)c1 ZINC001161983548 806495682 /nfs/dbraw/zinc/49/56/82/806495682.db2.gz CRDGZAIHRRDMBD-UHFFFAOYSA-N 1 2 289.285 3.361 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001255164435 806561043 /nfs/dbraw/zinc/56/10/43/806561043.db2.gz KBFZZMZZWXFRIT-INIZCTEOSA-N 1 2 270.376 3.274 20 30 CGEDLO CC[C@@H](CC#N)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001255172986 806567698 /nfs/dbraw/zinc/56/76/98/806567698.db2.gz VFMUEHMVNNSJMG-HNNXBMFYSA-N 1 2 291.826 3.150 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001255176283 806570575 /nfs/dbraw/zinc/57/05/75/806570575.db2.gz ZHYCUPOCJPGPHP-INIZCTEOSA-N 1 2 284.403 3.360 20 30 CGEDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CCC#N ZINC000425960014 799603604 /nfs/dbraw/zinc/60/36/04/799603604.db2.gz MVLLBFHKZJNDQT-CYBMUJFWSA-N 1 2 277.387 3.311 20 30 CGEDLO CC(=O)C=C(C)Nc1[nH+]ccc(NC(=O)C(C)(C)C)c1C ZINC001163737562 806813700 /nfs/dbraw/zinc/81/37/00/806813700.db2.gz ZGAWUXAXMLIWBX-KTKRTIGZSA-N 1 2 289.379 3.279 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1ccccc1N ZINC001163884111 806845464 /nfs/dbraw/zinc/84/54/64/806845464.db2.gz FFKNJJHQXLXVKO-UHFFFAOYSA-N 1 2 253.349 3.313 20 30 CGEDLO C=CCCCC[N@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC000932327733 800657767 /nfs/dbraw/zinc/65/77/67/800657767.db2.gz ZRDMEIJLYONFTB-OAHLLOKOSA-N 1 2 279.380 3.156 20 30 CGEDLO C=CCCCC[N@@H+]1CCOC[C@@H]1c1ccc(COC)o1 ZINC000932327733 800657773 /nfs/dbraw/zinc/65/77/73/800657773.db2.gz ZRDMEIJLYONFTB-OAHLLOKOSA-N 1 2 279.380 3.156 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305508 800722608 /nfs/dbraw/zinc/72/26/08/800722608.db2.gz SFLIUKNSADDDNX-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305508 800722615 /nfs/dbraw/zinc/72/26/15/800722615.db2.gz SFLIUKNSADDDNX-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597787 800730576 /nfs/dbraw/zinc/73/05/76/800730576.db2.gz WTBYZQBVYZIDLE-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597787 800730578 /nfs/dbraw/zinc/73/05/78/800730578.db2.gz WTBYZQBVYZIDLE-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027812001 800820537 /nfs/dbraw/zinc/82/05/37/800820537.db2.gz QVNYAMZPDOARDN-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027812001 800820544 /nfs/dbraw/zinc/82/05/44/800820544.db2.gz QVNYAMZPDOARDN-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032943881 800946119 /nfs/dbraw/zinc/94/61/19/800946119.db2.gz VNDYVVBPOKLYCQ-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032943881 800946125 /nfs/dbraw/zinc/94/61/25/800946125.db2.gz VNDYVVBPOKLYCQ-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329783 800958778 /nfs/dbraw/zinc/95/87/78/800958778.db2.gz SSLLOSNODXJHLD-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329783 800958782 /nfs/dbraw/zinc/95/87/82/800958782.db2.gz SSLLOSNODXJHLD-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574000 800967839 /nfs/dbraw/zinc/96/78/39/800967839.db2.gz LFFRXGDDQTXNDJ-DZGCQCFKSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033574000 800967846 /nfs/dbraw/zinc/96/78/46/800967846.db2.gz LFFRXGDDQTXNDJ-DZGCQCFKSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033745976 800980196 /nfs/dbraw/zinc/98/01/96/800980196.db2.gz WZOAQTXXUMHICQ-ZDUSSCGKSA-N 1 2 298.839 3.037 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033745976 800980202 /nfs/dbraw/zinc/98/02/02/800980202.db2.gz WZOAQTXXUMHICQ-ZDUSSCGKSA-N 1 2 298.839 3.037 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001117351816 802463362 /nfs/dbraw/zinc/46/33/62/802463362.db2.gz XCKVWEFTRMASDD-KHPPLWFESA-N 1 2 266.344 3.352 20 30 CGEDLO C=C(C)Nc1cc(Br)cn2cc[nH+]c12 ZINC001174786734 809163076 /nfs/dbraw/zinc/16/30/76/809163076.db2.gz XXNYXNFFMDDXAQ-UHFFFAOYSA-N 1 2 252.115 3.042 20 30 CGEDLO COc1ccc(-c2cc(C)c3[nH+]ccn3c2)c(C#N)c1 ZINC001243728877 802969052 /nfs/dbraw/zinc/96/90/52/802969052.db2.gz LICQHHRLPXUURD-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=C(CC)C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001124015525 802989791 /nfs/dbraw/zinc/98/97/91/802989791.db2.gz LVJHCQSMHYYWOB-CQSZACIVSA-N 1 2 289.423 3.310 20 30 CGEDLO N#Cc1cc(-c2cc[nH+]c(N3CCCCC3)c2)ccc1N ZINC001244113014 803192084 /nfs/dbraw/zinc/19/20/84/803192084.db2.gz XNTYMXCWPBIVRT-UHFFFAOYSA-N 1 2 278.359 3.193 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132305341 803393968 /nfs/dbraw/zinc/39/39/68/803393968.db2.gz OOTRAQATQYINGR-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132305341 803393973 /nfs/dbraw/zinc/39/39/73/803393973.db2.gz OOTRAQATQYINGR-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO Cc1ccc(-c2c[nH+]c(N3CCOCC3)c(C)c2)cc1C#N ZINC001244485357 803394826 /nfs/dbraw/zinc/39/48/26/803394826.db2.gz VEWLONXVWXDQSX-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO Cc1ccc(C#N)c(-c2c[nH+]c(N3CCOCC3)cc2C)c1 ZINC001245605015 803849111 /nfs/dbraw/zinc/84/91/11/803849111.db2.gz WJYIGUADGPOXNX-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1cnccn1 ZINC001138665050 803997117 /nfs/dbraw/zinc/99/71/17/803997117.db2.gz FHOTYCMFOQGHPP-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cnccn1 ZINC001138665050 803997123 /nfs/dbraw/zinc/99/71/23/803997123.db2.gz FHOTYCMFOQGHPP-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691593 804256511 /nfs/dbraw/zinc/25/65/11/804256511.db2.gz AICJBUSIBUDVSZ-GFCCVEGCSA-N 1 2 276.767 3.013 20 30 CGEDLO CC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691593 804256518 /nfs/dbraw/zinc/25/65/18/804256518.db2.gz AICJBUSIBUDVSZ-GFCCVEGCSA-N 1 2 276.767 3.013 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1F ZINC001140048158 804359997 /nfs/dbraw/zinc/35/99/97/804359997.db2.gz USGZBMGIAPIVFE-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1F ZINC001140048158 804360006 /nfs/dbraw/zinc/36/00/06/804360006.db2.gz USGZBMGIAPIVFE-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C=CC[N@@H+](C)Cc1sc(N2CCCC2)nc1Cl ZINC001140364950 804423543 /nfs/dbraw/zinc/42/35/43/804423543.db2.gz OYOISHUWOYWRLF-UHFFFAOYSA-N 1 2 271.817 3.015 20 30 CGEDLO C=CC[N@H+](C)Cc1sc(N2CCCC2)nc1Cl ZINC001140364950 804423548 /nfs/dbraw/zinc/42/35/48/804423548.db2.gz OYOISHUWOYWRLF-UHFFFAOYSA-N 1 2 271.817 3.015 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140490556 804447215 /nfs/dbraw/zinc/44/72/15/804447215.db2.gz UATNURDYGGBSGK-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140490556 804447220 /nfs/dbraw/zinc/44/72/20/804447220.db2.gz UATNURDYGGBSGK-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO N#Cc1ccc(SCc2ccc[nH+]c2N)c(Cl)c1 ZINC001165833048 807022874 /nfs/dbraw/zinc/02/28/74/807022874.db2.gz TZFMVAPTJGPMAT-UHFFFAOYSA-N 1 2 275.764 3.481 20 30 CGEDLO CCCCCCCCNC(=S)Nc1c[nH+]c(C)n1C ZINC001247141494 804668143 /nfs/dbraw/zinc/66/81/43/804668143.db2.gz YWUDYBJQFYKBOY-UHFFFAOYSA-N 1 2 282.457 3.375 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001143394557 804847122 /nfs/dbraw/zinc/84/71/22/804847122.db2.gz HIQLUVAPMGPJLO-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143394557 804847129 /nfs/dbraw/zinc/84/71/29/804847129.db2.gz HIQLUVAPMGPJLO-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001143560682 804865655 /nfs/dbraw/zinc/86/56/55/804865655.db2.gz BYMBBEKPXJQKHS-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143560682 804865657 /nfs/dbraw/zinc/86/56/57/804865657.db2.gz BYMBBEKPXJQKHS-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1Cl ZINC001143711920 804888053 /nfs/dbraw/zinc/88/80/53/804888053.db2.gz LIYHZDQVNSISGT-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1Cl ZINC001143711920 804888058 /nfs/dbraw/zinc/88/80/58/804888058.db2.gz LIYHZDQVNSISGT-UHFFFAOYSA-N 1 2 261.674 3.424 20 30 CGEDLO C=CC[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001144008981 804921489 /nfs/dbraw/zinc/92/14/89/804921489.db2.gz WSMDMEOFERKWQW-GFCCVEGCSA-N 1 2 255.321 3.023 20 30 CGEDLO CCOc1c(F)cc(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC001144030765 804929514 /nfs/dbraw/zinc/92/95/14/804929514.db2.gz MNXDQYJHZGKLKA-UHFFFAOYSA-N 1 2 294.345 3.489 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001248447508 804933331 /nfs/dbraw/zinc/93/33/31/804933331.db2.gz XWLHZRODRDTQSP-UONOGXRCSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001248447508 804933333 /nfs/dbraw/zinc/93/33/33/804933333.db2.gz XWLHZRODRDTQSP-UONOGXRCSA-N 1 2 292.452 3.070 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+]1Cc2cnc(C)cc2C1 ZINC001248751948 804983874 /nfs/dbraw/zinc/98/38/74/804983874.db2.gz QIUNTIZIYMORRL-UHFFFAOYSA-N 1 2 277.371 3.340 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+]1Cc2cnc(C)cc2C1 ZINC001248751948 804983875 /nfs/dbraw/zinc/98/38/75/804983875.db2.gz QIUNTIZIYMORRL-UHFFFAOYSA-N 1 2 277.371 3.340 20 30 CGEDLO Cc1ccc2[nH]c(C[N@@H+](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001248841577 805018471 /nfs/dbraw/zinc/01/84/71/805018471.db2.gz MDHYSGMKHNGZSD-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001248841577 805018480 /nfs/dbraw/zinc/01/84/80/805018480.db2.gz MDHYSGMKHNGZSD-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO Cc1ccc2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC001248841577 805018482 /nfs/dbraw/zinc/01/84/82/805018482.db2.gz MDHYSGMKHNGZSD-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO Cc1ccc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC001248841577 805018491 /nfs/dbraw/zinc/01/84/91/805018491.db2.gz MDHYSGMKHNGZSD-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC001249529149 805169790 /nfs/dbraw/zinc/16/97/90/805169790.db2.gz VYEMKUYYCVHYKM-LLVKDONJSA-N 1 2 261.394 3.146 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC001249529149 805169795 /nfs/dbraw/zinc/16/97/95/805169795.db2.gz VYEMKUYYCVHYKM-LLVKDONJSA-N 1 2 261.394 3.146 20 30 CGEDLO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258088268 807299803 /nfs/dbraw/zinc/29/98/03/807299803.db2.gz KRVGZRQGXGVOFM-TZMCWYRMSA-N 1 2 265.422 3.395 20 30 CGEDLO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258088268 807299807 /nfs/dbraw/zinc/29/98/07/807299807.db2.gz KRVGZRQGXGVOFM-TZMCWYRMSA-N 1 2 265.422 3.395 20 30 CGEDLO C[C@H]1CC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H](C)C1 ZINC001258160209 807328709 /nfs/dbraw/zinc/32/87/09/807328709.db2.gz RHPJYEPQNNOGOF-GYSYKLTISA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@H]1CC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H](C)C1 ZINC001258160209 807328717 /nfs/dbraw/zinc/32/87/17/807328717.db2.gz RHPJYEPQNNOGOF-GYSYKLTISA-N 1 2 265.422 3.085 20 30 CGEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442579 807416205 /nfs/dbraw/zinc/41/62/05/807416205.db2.gz WCBQIUNZRIWAQZ-MRXNPFEDSA-N 1 2 260.356 3.309 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442579 807416210 /nfs/dbraw/zinc/41/62/10/807416210.db2.gz WCBQIUNZRIWAQZ-MRXNPFEDSA-N 1 2 260.356 3.309 20 30 CGEDLO N#CCCc1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169005028 807549810 /nfs/dbraw/zinc/54/98/10/807549810.db2.gz NTVYIRBZVVSTQN-UHFFFAOYSA-N 1 2 290.370 3.445 20 30 CGEDLO C=CCC[C@H](C)[N@H+](CC(=O)OCC)Cc1ccsc1 ZINC001258733333 807579390 /nfs/dbraw/zinc/57/93/90/807579390.db2.gz ZMSIBIUIOHPVCH-ZDUSSCGKSA-N 1 2 281.421 3.468 20 30 CGEDLO C=CCC[C@H](C)[N@@H+](CC(=O)OCC)Cc1ccsc1 ZINC001258733333 807579394 /nfs/dbraw/zinc/57/93/94/807579394.db2.gz ZMSIBIUIOHPVCH-ZDUSSCGKSA-N 1 2 281.421 3.468 20 30 CGEDLO COc1ccc(Nc2[nH+]cc(C)cc2C)c(C#N)c1 ZINC001212781008 815135704 /nfs/dbraw/zinc/13/57/04/815135704.db2.gz TWKQTJIVGAWCFE-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OCC ZINC001258839756 807652915 /nfs/dbraw/zinc/65/29/15/807652915.db2.gz JIBIUBIAPNDITR-SOLBZPMBSA-N 1 2 287.403 3.105 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C(=O)OCC ZINC001261256175 807722908 /nfs/dbraw/zinc/72/29/08/807722908.db2.gz ZLYBHRIJVLAVPC-IAQYHMDHSA-N 1 2 297.345 3.166 20 30 CGEDLO COc1cc2[nH+]ccn2cc1NC1=CC(=O)CC(C)(C)C1 ZINC001169953573 807730672 /nfs/dbraw/zinc/73/06/72/807730672.db2.gz YEPWZMCHPUCCLN-UHFFFAOYSA-N 1 2 285.347 3.028 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(O)c(O)c1 ZINC001169990858 807734350 /nfs/dbraw/zinc/73/43/50/807734350.db2.gz RZQWVCVZGPIVAL-UHFFFAOYSA-N 1 2 270.332 3.142 20 30 CGEDLO Cc1cn2c(cccc2NC2=CC[C@@H](C#N)CC2)[nH+]1 ZINC001212854400 815159347 /nfs/dbraw/zinc/15/93/47/815159347.db2.gz FTUGPYRZLAYEMX-GFCCVEGCSA-N 1 2 252.321 3.262 20 30 CGEDLO N#C[C@H]1CC=C(Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001212860578 815163100 /nfs/dbraw/zinc/16/31/00/815163100.db2.gz AFOCEXOUOOAJQK-ZDUSSCGKSA-N 1 2 264.332 3.492 20 30 CGEDLO C=CCC[C@H](NC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001263768774 808002836 /nfs/dbraw/zinc/00/28/36/808002836.db2.gz FNUDLERCJGEYTP-INIZCTEOSA-N 1 2 297.402 3.176 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171946339 808157236 /nfs/dbraw/zinc/15/72/36/808157236.db2.gz NJSMHTZNOTVXSQ-BCLQGDPASA-N 1 2 280.412 3.170 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001266327925 808242832 /nfs/dbraw/zinc/24/28/32/808242832.db2.gz OPXHDKAZPSZOTD-TZMCWYRMSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001266327925 808242836 /nfs/dbraw/zinc/24/28/36/808242836.db2.gz OPXHDKAZPSZOTD-TZMCWYRMSA-N 1 2 286.847 3.002 20 30 CGEDLO CCCCCCC[C@@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172357903 808252585 /nfs/dbraw/zinc/25/25/85/808252585.db2.gz MRQQZTCGVHDKPR-ZBFHGGJFSA-N 1 2 285.428 3.047 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001266413174 808259839 /nfs/dbraw/zinc/25/98/39/808259839.db2.gz IELHEQBGDUTVAA-JSGCOSHPSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001266413174 808259846 /nfs/dbraw/zinc/25/98/46/808259846.db2.gz IELHEQBGDUTVAA-JSGCOSHPSA-N 1 2 286.847 3.003 20 30 CGEDLO COC(=O)c1scc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213028619 815203311 /nfs/dbraw/zinc/20/33/11/815203311.db2.gz UGWZBCKWKHIICR-UHFFFAOYSA-N 1 2 298.327 3.026 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172923910 808482203 /nfs/dbraw/zinc/48/22/03/808482203.db2.gz QAGQBIIUMGJQAV-HOTGVXAUSA-N 1 2 299.455 3.437 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC(C1CC1)C1CC1 ZINC001268759244 808625419 /nfs/dbraw/zinc/62/54/19/808625419.db2.gz JZADFUBZFPQWOQ-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC(C1CC1)C1CC1 ZINC001268759244 808625425 /nfs/dbraw/zinc/62/54/25/808625425.db2.gz JZADFUBZFPQWOQ-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1[nH]c2ccc(Nc3cc(C#N)c(F)cc3O)cc2[nH+]1 ZINC001213076116 815225066 /nfs/dbraw/zinc/22/50/66/815225066.db2.gz GJZMULZPVKVMMH-UHFFFAOYSA-N 1 2 282.278 3.331 20 30 CGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001269663338 808696304 /nfs/dbraw/zinc/69/63/04/808696304.db2.gz ANAFLCNLGUDRQL-OAGGEKHMSA-N 1 2 296.430 3.156 20 30 CGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001269663338 808696307 /nfs/dbraw/zinc/69/63/07/808696307.db2.gz ANAFLCNLGUDRQL-OAGGEKHMSA-N 1 2 296.430 3.156 20 30 CGEDLO C#Cc1cc(Nc2cccc(OC(C)C)c2)cc[nH+]1 ZINC001174112659 808872763 /nfs/dbraw/zinc/87/27/63/808872763.db2.gz BWJVXSUEAOFSSC-UHFFFAOYSA-N 1 2 252.317 3.016 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001276422246 809006794 /nfs/dbraw/zinc/00/67/94/809006794.db2.gz QDJNVPORWRMWPY-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001284131676 809297701 /nfs/dbraw/zinc/29/77/01/809297701.db2.gz NOAWOEURTZJCSZ-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001284131676 809297704 /nfs/dbraw/zinc/29/77/04/809297704.db2.gz NOAWOEURTZJCSZ-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO CN(C)c1ccc(Nc2onc(C(C)(C)C)c2C#N)c[nH+]1 ZINC001175341003 809366850 /nfs/dbraw/zinc/36/68/50/809366850.db2.gz MTMWNOVDGNVECP-UHFFFAOYSA-N 1 2 285.351 3.048 20 30 CGEDLO CN(C)c1ccc(Nc2cc(F)c(F)c(C#N)c2F)c[nH+]1 ZINC001175343233 809368519 /nfs/dbraw/zinc/36/85/19/809368519.db2.gz BEKDHHORDNOSIO-UHFFFAOYSA-N 1 2 292.264 3.180 20 30 CGEDLO N#Cc1nc(Cl)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175346559 809371588 /nfs/dbraw/zinc/37/15/88/809371588.db2.gz WXNNZIVAQPMIPE-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO COc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C#N ZINC001175351655 809373638 /nfs/dbraw/zinc/37/36/38/809373638.db2.gz KSNQIECRIITPBD-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO N#Cc1cccc(F)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713245 809517402 /nfs/dbraw/zinc/51/74/02/809517402.db2.gz YLVAPOFNCLXRKY-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO C#Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175712888 809517565 /nfs/dbraw/zinc/51/75/65/809517565.db2.gz LIQDQYWWNDRIBA-UHFFFAOYSA-N 1 2 277.249 3.408 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)nccc2Cl)cc1F ZINC001182369418 810107668 /nfs/dbraw/zinc/10/76/68/810107668.db2.gz MOYYMJWFHHDXAV-UHFFFAOYSA-N 1 2 293.704 3.175 20 30 CGEDLO CCCCCCCCOC(=O)NCc1c[nH+]cn1CCF ZINC001194753987 811124854 /nfs/dbraw/zinc/12/48/54/811124854.db2.gz YINAMASQRPVZIE-UHFFFAOYSA-N 1 2 299.390 3.439 20 30 CGEDLO C=CCC[N@@H+](Cc1cc(C)[nH]n1)Cc1ccccc1 ZINC001203076746 812233391 /nfs/dbraw/zinc/23/33/91/812233391.db2.gz JLMFMLJOOBFZGG-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO C=CCC[N@H+](Cc1cc(C)[nH]n1)Cc1ccccc1 ZINC001203076746 812233403 /nfs/dbraw/zinc/23/34/03/812233403.db2.gz JLMFMLJOOBFZGG-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(OC)c1 ZINC001203478925 812371831 /nfs/dbraw/zinc/37/18/31/812371831.db2.gz PGTWBKOKOAZMBO-UHFFFAOYSA-N 1 2 288.391 3.362 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(OC)c1 ZINC001203478925 812371839 /nfs/dbraw/zinc/37/18/39/812371839.db2.gz PGTWBKOKOAZMBO-UHFFFAOYSA-N 1 2 288.391 3.362 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001203764985 812458569 /nfs/dbraw/zinc/45/85/69/812458569.db2.gz PZSHUFRYJZLUIB-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001203764985 812458574 /nfs/dbraw/zinc/45/85/74/812458574.db2.gz PZSHUFRYJZLUIB-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1c(F)cc(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204998375 812816987 /nfs/dbraw/zinc/81/69/87/812816987.db2.gz XSUUXTYVRDYSRP-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(F)c(C#N)c1 ZINC001205459150 812986418 /nfs/dbraw/zinc/98/64/18/812986418.db2.gz DQWAPRGIEXSKRC-UHFFFAOYSA-N 1 2 295.770 3.439 20 30 CGEDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(F)c(C#N)c1 ZINC001205459150 812986421 /nfs/dbraw/zinc/98/64/21/812986421.db2.gz DQWAPRGIEXSKRC-UHFFFAOYSA-N 1 2 295.770 3.439 20 30 CGEDLO C#C[C@@H](C)[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001205745153 813066179 /nfs/dbraw/zinc/06/61/79/813066179.db2.gz UICYIDJWWTWRHP-SSDOTTSWSA-N 1 2 290.563 3.353 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1sc(C)nc1C ZINC001206171283 813224417 /nfs/dbraw/zinc/22/44/17/813224417.db2.gz CZXXMHQUOCDWPY-UHFFFAOYSA-N 1 2 251.399 3.276 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1sc(C)nc1C ZINC001206171283 813224420 /nfs/dbraw/zinc/22/44/20/813224420.db2.gz CZXXMHQUOCDWPY-UHFFFAOYSA-N 1 2 251.399 3.276 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1)Cc1cc(C#N)cs1 ZINC001207685049 813635252 /nfs/dbraw/zinc/63/52/52/813635252.db2.gz MPKVUPXOQNKBFI-UHFFFAOYSA-N 1 2 266.369 3.103 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cc(C#N)cs1 ZINC001207685049 813635256 /nfs/dbraw/zinc/63/52/56/813635256.db2.gz MPKVUPXOQNKBFI-UHFFFAOYSA-N 1 2 266.369 3.103 20 30 CGEDLO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208163487 813719197 /nfs/dbraw/zinc/71/91/97/813719197.db2.gz WTPFLLRTTRRUGO-KCQAQPDRSA-N 1 2 277.433 3.253 20 30 CGEDLO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208163487 813719202 /nfs/dbraw/zinc/71/92/02/813719202.db2.gz WTPFLLRTTRRUGO-KCQAQPDRSA-N 1 2 277.433 3.253 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC001208177720 813729558 /nfs/dbraw/zinc/72/95/58/813729558.db2.gz XPGNLHCJLWGUML-MSOLQXFVSA-N 1 2 274.452 3.459 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC001208177720 813729567 /nfs/dbraw/zinc/72/95/67/813729567.db2.gz XPGNLHCJLWGUML-MSOLQXFVSA-N 1 2 274.452 3.459 20 30 CGEDLO C[C@H](O)c1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001242647326 823079717 /nfs/dbraw/zinc/07/97/17/823079717.db2.gz DAPGWOSTUUCPEJ-DZUMZMOTSA-N 1 2 293.370 3.500 20 30 CGEDLO C#Cc1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209932091 814202954 /nfs/dbraw/zinc/20/29/54/814202954.db2.gz IUQZSUVWDVHBSD-UHFFFAOYSA-N 1 2 292.382 3.244 20 30 CGEDLO C#Cc1cc(Nc2ccccc2OC(C)C)cc[nH+]1 ZINC001210021305 814249548 /nfs/dbraw/zinc/24/95/48/814249548.db2.gz YMSXZPVGPOCNPM-UHFFFAOYSA-N 1 2 252.317 3.016 20 30 CGEDLO COc1cccc(Nc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC001210124022 814300793 /nfs/dbraw/zinc/30/07/93/814300793.db2.gz HHLJVFWGUJIBRP-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO Cc1sc(Nc2c[nH+]c(C)c(N)c2)c(C#N)c1C ZINC001210286644 814381841 /nfs/dbraw/zinc/38/18/41/814381841.db2.gz BUGGYMWZLTVEIU-UHFFFAOYSA-N 1 2 258.350 3.266 20 30 CGEDLO COc1cc(Nc2ccc(C(C)(C)C#N)nc2)cc(C)[nH+]1 ZINC001210773794 814619446 /nfs/dbraw/zinc/61/94/46/814619446.db2.gz FQOJEKUCOJMWJH-UHFFFAOYSA-N 1 2 282.347 3.338 20 30 CGEDLO C#Cc1cc(Nc2c(F)cc(SC)cc2F)cc[nH+]1 ZINC001215841485 815612148 /nfs/dbraw/zinc/61/21/48/815612148.db2.gz VGPQWVLPTPBQAU-UHFFFAOYSA-N 1 2 276.311 3.229 20 30 CGEDLO CCCCCCCCCCO[C@@H]1CC[NH2+][C@@H]1C(=O)OC ZINC001217890287 815991596 /nfs/dbraw/zinc/99/15/96/815991596.db2.gz VJDBKVUAAVTDPZ-CABCVRRESA-N 1 2 285.428 3.047 20 30 CGEDLO CCCCCCCCC[C@@H](C)OC[C@@H]([NH3+])C(=O)OC ZINC001217897293 815995998 /nfs/dbraw/zinc/99/59/98/815995998.db2.gz ONUHDLBIAVMWLM-ZIAGYGMSSA-N 1 2 273.417 3.033 20 30 CGEDLO CC(C)(C)c1cc(C#N)ccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218008514 816050917 /nfs/dbraw/zinc/05/09/17/816050917.db2.gz ZKJVXGMBIOPMDA-AWEZNQCLSA-N 1 2 294.345 3.232 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001221521616 816318110 /nfs/dbraw/zinc/31/81/10/816318110.db2.gz UXFHAFIOEPXROD-NWANDNLSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001221521616 816318118 /nfs/dbraw/zinc/31/81/18/816318118.db2.gz UXFHAFIOEPXROD-NWANDNLSSA-N 1 2 298.858 3.098 20 30 CGEDLO N#C[C@@H](OC1C[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC001223708136 816668367 /nfs/dbraw/zinc/66/83/67/816668367.db2.gz AYVZIKATXSVCDJ-GOSISDBHSA-N 1 2 278.355 3.152 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578968 818127611 /nfs/dbraw/zinc/12/76/11/818127611.db2.gz VVIMMTMJNCRNQA-GOSISDBHSA-N 1 2 286.378 3.432 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231578968 818127615 /nfs/dbraw/zinc/12/76/15/818127615.db2.gz VVIMMTMJNCRNQA-GOSISDBHSA-N 1 2 286.378 3.432 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001231812698 818182960 /nfs/dbraw/zinc/18/29/60/818182960.db2.gz FYTXUPMFTVLJEC-CYBMUJFWSA-N 1 2 252.317 3.292 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC001231812698 818182964 /nfs/dbraw/zinc/18/29/64/818182964.db2.gz FYTXUPMFTVLJEC-CYBMUJFWSA-N 1 2 252.317 3.292 20 30 CGEDLO Cc1nnc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)s1 ZINC001232245325 818291433 /nfs/dbraw/zinc/29/14/33/818291433.db2.gz ROMQUOVACPDACW-UHFFFAOYSA-N 1 2 298.415 3.098 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001232678624 818416473 /nfs/dbraw/zinc/41/64/73/818416473.db2.gz KPJPKMNDARZTKL-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001232678624 818416478 /nfs/dbraw/zinc/41/64/78/818416478.db2.gz KPJPKMNDARZTKL-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc2nccc(Cl)c2c1 ZINC001237267332 819712342 /nfs/dbraw/zinc/71/23/42/819712342.db2.gz LWHHPOVICIFMHO-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc2nccc(Cl)c2c1 ZINC001237267332 819712345 /nfs/dbraw/zinc/71/23/45/819712345.db2.gz LWHHPOVICIFMHO-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Cl)nc(Cl)c1O ZINC001237536000 819773356 /nfs/dbraw/zinc/77/33/56/819773356.db2.gz VTCNOSMDWXYRRF-UHFFFAOYSA-N 1 2 273.163 3.268 20 30 CGEDLO CC(C)Oc1cc(C[NH+]2CCC(C)(C#N)CC2)cnc1F ZINC001238604375 820057711 /nfs/dbraw/zinc/05/77/11/820057711.db2.gz RNLATPFUUHCQAA-UHFFFAOYSA-N 1 2 291.370 3.134 20 30 CGEDLO CN(C)C=[NH+]c1ccc(-c2ccc3n[nH]cc3c2)cc1C#N ZINC001240212545 820880599 /nfs/dbraw/zinc/88/05/99/820880599.db2.gz KRZBYAXBAGWMPB-YBFXNURJSA-N 1 2 289.342 3.323 20 30 CGEDLO C=C(C)c1ccc(-c2nc3c(o2)CC[N@@H+](C)C3)cc1 ZINC001240837699 821362342 /nfs/dbraw/zinc/36/23/42/821362342.db2.gz QWZXENLRFCWCRF-UHFFFAOYSA-N 1 2 254.333 3.363 20 30 CGEDLO C=C(C)c1ccc(-c2nc3c(o2)CC[N@H+](C)C3)cc1 ZINC001240837699 821362350 /nfs/dbraw/zinc/36/23/50/821362350.db2.gz QWZXENLRFCWCRF-UHFFFAOYSA-N 1 2 254.333 3.363 20 30 CGEDLO Nc1cc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cc[nH+]1 ZINC001241169609 821614224 /nfs/dbraw/zinc/61/42/24/821614224.db2.gz HYNOCMVUMBWICK-FBCYGCLPSA-N 1 2 281.237 3.158 20 30 CGEDLO C=CCCC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001338442347 936323164 /nfs/dbraw/zinc/32/31/64/936323164.db2.gz COUGGXHFXQQMCT-AWEZNQCLSA-N 1 2 289.423 3.310 20 30 CGEDLO C=C1CCN(c2nc(N3CCC(=C)CC3)c(C)c[nH+]2)CC1 ZINC001347991269 936906152 /nfs/dbraw/zinc/90/61/52/936906152.db2.gz ZODPKZALDADOMA-UHFFFAOYSA-N 1 2 284.407 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001473886726 937828019 /nfs/dbraw/zinc/82/80/19/937828019.db2.gz HVBMUJSTYIDQNM-CQSZACIVSA-N 1 2 251.757 3.203 20 30 CGEDLO C=C(Cl)C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001473886726 937828021 /nfs/dbraw/zinc/82/80/21/937828021.db2.gz HVBMUJSTYIDQNM-CQSZACIVSA-N 1 2 251.757 3.203 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1(C2CCC2)CCC1 ZINC001482616879 927325585 /nfs/dbraw/zinc/32/55/85/927325585.db2.gz KYSHYSQZKVLBHN-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1(C2CCC2)CCC1 ZINC001482616879 927325598 /nfs/dbraw/zinc/32/55/98/927325598.db2.gz KYSHYSQZKVLBHN-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C#CC[N@@H+](Cc1cc(F)ccc1Br)C(C)C ZINC001198028041 928270550 /nfs/dbraw/zinc/27/05/50/928270550.db2.gz YBKCSZACPWIKCN-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO C#CC[N@H+](Cc1cc(F)ccc1Br)C(C)C ZINC001198028041 928270540 /nfs/dbraw/zinc/27/05/40/928270540.db2.gz YBKCSZACPWIKCN-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO C=CCC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC001446505570 937363676 /nfs/dbraw/zinc/36/36/76/937363676.db2.gz NMOOFQKONAEWPY-HNNXBMFYSA-N 1 2 283.375 3.084 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001140603697 931959365 /nfs/dbraw/zinc/95/93/65/931959365.db2.gz ZEHOPAJHHOQYAU-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001140603697 931959367 /nfs/dbraw/zinc/95/93/67/931959367.db2.gz ZEHOPAJHHOQYAU-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO Cc1nn(C)c(C)c1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155323086 931975667 /nfs/dbraw/zinc/97/56/67/931975667.db2.gz YMNMMEIZMACBED-UHFFFAOYSA-N 1 2 291.358 3.069 20 30 CGEDLO Cn1c2ccccc2[nH+]c1Nc1cccc(C#N)c1F ZINC001216412582 932018715 /nfs/dbraw/zinc/01/87/15/932018715.db2.gz HXNINKDQEIESFH-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001461232906 937570888 /nfs/dbraw/zinc/57/08/88/937570888.db2.gz SFLKHFLSAYHRST-UHFFFAOYSA-N 1 2 263.772 3.459 20 30 CGEDLO CC#CC[C@@H](CC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953695 932507453 /nfs/dbraw/zinc/50/74/53/932507453.db2.gz CZSGUKXQBVVJBS-OAHLLOKOSA-N 1 2 254.333 3.443 20 30 CGEDLO C#CC[N@H+](Cc1csc(C#N)c1)Cc1ccc(F)cc1 ZINC001461904865 937605468 /nfs/dbraw/zinc/60/54/68/937605468.db2.gz YBOVUEXWXRVATF-UHFFFAOYSA-N 1 2 284.359 3.394 20 30 CGEDLO C#CC[N@@H+](Cc1csc(C#N)c1)Cc1ccc(F)cc1 ZINC001461904865 937605470 /nfs/dbraw/zinc/60/54/70/937605470.db2.gz YBOVUEXWXRVATF-UHFFFAOYSA-N 1 2 284.359 3.394 20 30 CGEDLO CC#C[C@@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231083427 932673932 /nfs/dbraw/zinc/67/39/32/932673932.db2.gz KEHOFVNXFYAYJU-CQSZACIVSA-N 1 2 254.333 3.268 20 30 CGEDLO C#C[C@H]1CCC[C@H]1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084010 932676241 /nfs/dbraw/zinc/67/62/41/932676241.db2.gz SISFWWNZKXCYLB-SUMWQHHRSA-N 1 2 266.344 3.268 20 30 CGEDLO Cc1cc(-c2cccc(C#N)c2F)cn2cc[nH+]c12 ZINC001245068476 932709516 /nfs/dbraw/zinc/70/95/16/932709516.db2.gz IBOCCSKMCWFJTK-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CCCCCCCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC001307430515 932951049 /nfs/dbraw/zinc/95/10/49/932951049.db2.gz YAFXCBIAVRBFGJ-AWEZNQCLSA-N 1 2 287.469 3.327 20 30 CGEDLO CCCCCCCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC001307430515 932951052 /nfs/dbraw/zinc/95/10/52/932951052.db2.gz YAFXCBIAVRBFGJ-AWEZNQCLSA-N 1 2 287.469 3.327 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)CCC1CC1)C(=O)OCC ZINC001308899792 933199876 /nfs/dbraw/zinc/19/98/76/933199876.db2.gz BWUBHDIRULNEJW-DGCLKSJQSA-N 1 2 273.804 3.229 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001322307743 934276113 /nfs/dbraw/zinc/27/61/13/934276113.db2.gz SHXNHTISVPDLPD-XSCHDIRWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001322307743 934276118 /nfs/dbraw/zinc/27/61/18/934276118.db2.gz SHXNHTISVPDLPD-XSCHDIRWSA-N 1 2 298.858 3.002 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(C#N)c(F)c1 ZINC001323546591 934407157 /nfs/dbraw/zinc/40/71/57/934407157.db2.gz WYGYPBHPELJWPO-BQYQJAHWSA-N 1 2 295.317 3.054 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cc(F)ccc1F ZINC001328934483 935175507 /nfs/dbraw/zinc/17/55/07/935175507.db2.gz IWEGVDVIGSFCRA-YVMONPNESA-N 1 2 288.297 3.322 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1=S ZINC001333725456 936060569 /nfs/dbraw/zinc/06/05/69/936060569.db2.gz LZHDJCMFOKTWNH-AWEZNQCLSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](C3CCC3)C2)c1=S ZINC001333725456 936060574 /nfs/dbraw/zinc/06/05/74/936060574.db2.gz LZHDJCMFOKTWNH-AWEZNQCLSA-N 1 2 292.452 3.070 20 30 CGEDLO Cc1[nH]c(CNc2nc(C(C)(C)C)ccc2C#N)[nH+]c1C ZINC001336725070 936209997 /nfs/dbraw/zinc/20/99/97/936209997.db2.gz AANLVBNDQOXQEF-UHFFFAOYSA-N 1 2 283.379 3.203 20 30 CGEDLO CCOc1ccc(Cl)cc1C[NH2+][C@H](C)CC#N ZINC001474251234 937846467 /nfs/dbraw/zinc/84/64/67/937846467.db2.gz TUSBTFDHATVEMB-SNVBAGLBSA-N 1 2 252.745 3.130 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cc(C#N)ccc2F)c(C)[nH+]1 ZINC001535174785 938099191 /nfs/dbraw/zinc/09/91/91/938099191.db2.gz VUJXICQDCJUJGJ-UHFFFAOYSA-N 1 2 283.306 3.270 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)o1 ZINC001560211059 938247203 /nfs/dbraw/zinc/24/72/03/938247203.db2.gz UYWXWQPBCYWFCL-UHFFFAOYSA-N 1 2 292.342 3.173 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)o1 ZINC001560211059 938247204 /nfs/dbraw/zinc/24/72/04/938247204.db2.gz UYWXWQPBCYWFCL-UHFFFAOYSA-N 1 2 292.342 3.173 20 30 CGEDLO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H](C)CC#N ZINC001560574442 938263560 /nfs/dbraw/zinc/26/35/60/938263560.db2.gz CVCLSZYZZITYIF-CYBMUJFWSA-N 1 2 282.391 3.189 20 30 CGEDLO Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CC#N)s2)o1 ZINC001560574607 938263604 /nfs/dbraw/zinc/26/36/04/938263604.db2.gz GVTYJFCSAMJRFJ-VIFPVBQESA-N 1 2 261.350 3.103 20 30 CGEDLO Cc1cc(CNC(=O)Nc2cccc(C#N)c2C)cc(C)[nH+]1 ZINC001562483918 938298819 /nfs/dbraw/zinc/29/88/19/938298819.db2.gz POIBQFWBOJCSJV-UHFFFAOYSA-N 1 2 294.358 3.200 20 30 CGEDLO N#Cc1cnc(CNc2cc3ccccc3c[nH+]2)s1 ZINC001161003750 958834890 /nfs/dbraw/zinc/83/48/90/958834890.db2.gz PXJARRKQMIVYIA-UHFFFAOYSA-N 1 2 266.329 3.175 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001567447703 961351793 /nfs/dbraw/zinc/35/17/93/961351793.db2.gz ZKNQLAXHNUBIFU-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001567447703 961351812 /nfs/dbraw/zinc/35/18/12/961351812.db2.gz ZKNQLAXHNUBIFU-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nccnc1C)c1ccc(F)c(F)c1 ZINC000621345638 349503037 /nfs/dbraw/zinc/50/30/37/349503037.db2.gz RTQNHYAHVJZYLV-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCCCNC1=O ZINC000298123280 260144843 /nfs/dbraw/zinc/14/48/43/260144843.db2.gz CERGQFYROORMGV-GFCCVEGCSA-N 1 2 298.839 3.058 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCCNC1=O ZINC000298123280 260144855 /nfs/dbraw/zinc/14/48/55/260144855.db2.gz CERGQFYROORMGV-GFCCVEGCSA-N 1 2 298.839 3.058 20 30 CGEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761182 398284542 /nfs/dbraw/zinc/28/45/42/398284542.db2.gz HWESSCDVJVJTSX-KBMXLJTQSA-N 1 2 282.391 3.229 20 30 CGEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356094341 529412127 /nfs/dbraw/zinc/41/21/27/529412127.db2.gz WPWCHOMFCPPOGW-CYBMUJFWSA-N 1 2 298.308 3.188 20 30 CGEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356094341 529412129 /nfs/dbraw/zinc/41/21/29/529412129.db2.gz WPWCHOMFCPPOGW-CYBMUJFWSA-N 1 2 298.308 3.188 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(C)no1 ZINC000591010970 346894561 /nfs/dbraw/zinc/89/45/61/346894561.db2.gz OEJPLEQUGCPLIZ-LBPRGKRZSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nc(C)no1 ZINC000591010970 346894565 /nfs/dbraw/zinc/89/45/65/346894565.db2.gz OEJPLEQUGCPLIZ-LBPRGKRZSA-N 1 2 284.363 3.223 20 30 CGEDLO CCc1c[nH+]ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356147711 529502303 /nfs/dbraw/zinc/50/23/03/529502303.db2.gz HMPXVOZCBLYZFQ-INIZCTEOSA-N 1 2 293.370 3.092 20 30 CGEDLO Cc1ccc(C[N@@H+](Cc2nc(C#N)cs2)CC2CC2)cn1 ZINC000592146437 346967127 /nfs/dbraw/zinc/96/71/27/346967127.db2.gz PYSROYRBCSVQGH-UHFFFAOYSA-N 1 2 298.415 3.130 20 30 CGEDLO Cc1ccc(C[N@H+](Cc2nc(C#N)cs2)CC2CC2)cn1 ZINC000592146437 346967130 /nfs/dbraw/zinc/96/71/30/346967130.db2.gz PYSROYRBCSVQGH-UHFFFAOYSA-N 1 2 298.415 3.130 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592122139 346965063 /nfs/dbraw/zinc/96/50/63/346965063.db2.gz XQRNOSWMCNWRRO-GOSISDBHSA-N 1 2 295.361 3.332 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592122139 346965065 /nfs/dbraw/zinc/96/50/65/346965065.db2.gz XQRNOSWMCNWRRO-GOSISDBHSA-N 1 2 295.361 3.332 20 30 CGEDLO C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000593046999 347031868 /nfs/dbraw/zinc/03/18/68/347031868.db2.gz VRDCCPNSECVOEP-PBHICJAKSA-N 1 2 285.366 3.233 20 30 CGEDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000593046999 347031871 /nfs/dbraw/zinc/03/18/71/347031871.db2.gz VRDCCPNSECVOEP-PBHICJAKSA-N 1 2 285.366 3.233 20 30 CGEDLO CC(C)(C)OCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119936 347042348 /nfs/dbraw/zinc/04/23/48/347042348.db2.gz KHFGAHUFYPCBHJ-UHFFFAOYSA-N 1 2 258.365 3.079 20 30 CGEDLO CC(C)(C)OCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119936 347042349 /nfs/dbraw/zinc/04/23/49/347042349.db2.gz KHFGAHUFYPCBHJ-UHFFFAOYSA-N 1 2 258.365 3.079 20 30 CGEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1ccc(Cl)cc1 ZINC000356054129 530021759 /nfs/dbraw/zinc/02/17/59/530021759.db2.gz KEBQVXOUYLCPKC-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1ccc(Cl)cc1 ZINC000356054129 530021761 /nfs/dbraw/zinc/02/17/61/530021761.db2.gz KEBQVXOUYLCPKC-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccccc2C#N)c(OC)c1 ZINC000016377301 344886348 /nfs/dbraw/zinc/88/63/48/344886348.db2.gz BMQYBXVFQZDGDY-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccccc2C#N)c(OC)c1 ZINC000016377301 344886351 /nfs/dbraw/zinc/88/63/51/344886351.db2.gz BMQYBXVFQZDGDY-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000027775212 344911444 /nfs/dbraw/zinc/91/14/44/344911444.db2.gz BEKCCWCHEAWZAC-UHFFFAOYSA-N 1 2 298.361 3.452 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000027775212 344911446 /nfs/dbraw/zinc/91/14/46/344911446.db2.gz BEKCCWCHEAWZAC-UHFFFAOYSA-N 1 2 298.361 3.452 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)no1 ZINC000027882788 344912173 /nfs/dbraw/zinc/91/21/73/344912173.db2.gz XPIGBFXMCBTHRR-INIZCTEOSA-N 1 2 267.332 3.192 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)no1 ZINC000027882788 344912174 /nfs/dbraw/zinc/91/21/74/344912174.db2.gz XPIGBFXMCBTHRR-INIZCTEOSA-N 1 2 267.332 3.192 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000045796715 345030767 /nfs/dbraw/zinc/03/07/67/345030767.db2.gz DWTXIWUZRFUOTR-UHFFFAOYSA-N 1 2 280.371 3.313 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000045796715 345030769 /nfs/dbraw/zinc/03/07/69/345030769.db2.gz DWTXIWUZRFUOTR-UHFFFAOYSA-N 1 2 280.371 3.313 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000065162896 345268746 /nfs/dbraw/zinc/26/87/46/345268746.db2.gz NLEWBRJMKLYHLN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000065162896 345268748 /nfs/dbraw/zinc/26/87/48/345268748.db2.gz NLEWBRJMKLYHLN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1c(F)cccc1F ZINC000072691443 345416014 /nfs/dbraw/zinc/41/60/14/345416014.db2.gz CKKUTTGBSFURBR-HNNXBMFYSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1c(F)cccc1F ZINC000072691443 345416016 /nfs/dbraw/zinc/41/60/16/345416016.db2.gz CKKUTTGBSFURBR-HNNXBMFYSA-N 1 2 296.361 3.260 20 30 CGEDLO C=CCCCN(C)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000076491410 345544585 /nfs/dbraw/zinc/54/45/85/345544585.db2.gz RKFNXKAPRMTNJF-UHFFFAOYSA-N 1 2 285.391 3.023 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000081039514 345696857 /nfs/dbraw/zinc/69/68/57/345696857.db2.gz FNBCXCYZWQIGCT-UHFFFAOYSA-N 1 2 254.280 3.024 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000081039514 345696859 /nfs/dbraw/zinc/69/68/59/345696859.db2.gz FNBCXCYZWQIGCT-UHFFFAOYSA-N 1 2 254.280 3.024 20 30 CGEDLO Cc1cccn2cc(CNc3ccc(F)cc3C#N)[nH+]c12 ZINC000091628174 345819232 /nfs/dbraw/zinc/81/92/32/345819232.db2.gz WMRGLKHRUQCWFO-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841473 345889067 /nfs/dbraw/zinc/88/90/67/345889067.db2.gz JFSLDTUYIDLLAO-SFHVURJKSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841473 345889069 /nfs/dbraw/zinc/88/90/69/345889069.db2.gz JFSLDTUYIDLLAO-SFHVURJKSA-N 1 2 299.370 3.418 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000093872345 345891891 /nfs/dbraw/zinc/89/18/91/345891891.db2.gz ALVHNTZZJIXTOK-QZTJIDSGSA-N 1 2 296.370 3.044 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000093872345 345891895 /nfs/dbraw/zinc/89/18/95/345891895.db2.gz ALVHNTZZJIXTOK-QZTJIDSGSA-N 1 2 296.370 3.044 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)c(F)c1 ZINC000136071491 346089218 /nfs/dbraw/zinc/08/92/18/346089218.db2.gz UYMKVQJFBBOQEY-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000177336800 232363557 /nfs/dbraw/zinc/36/35/57/232363557.db2.gz ZXAVGQUODCRHKP-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000177336800 232363559 /nfs/dbraw/zinc/36/35/59/232363559.db2.gz ZXAVGQUODCRHKP-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000393831184 346575955 /nfs/dbraw/zinc/57/59/55/346575955.db2.gz JHOZDKADNDGNJT-MRVPVSSYSA-N 1 2 272.179 3.167 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000393831184 346575957 /nfs/dbraw/zinc/57/59/57/346575957.db2.gz JHOZDKADNDGNJT-MRVPVSSYSA-N 1 2 272.179 3.167 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000403840207 346598325 /nfs/dbraw/zinc/59/83/25/346598325.db2.gz CSILJSZEBIWPKP-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000403840207 346598326 /nfs/dbraw/zinc/59/83/26/346598326.db2.gz CSILJSZEBIWPKP-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](CCCOc1ccccc1)C2 ZINC000405093380 346602887 /nfs/dbraw/zinc/60/28/87/346602887.db2.gz OVROHBNUVUYLIT-UHFFFAOYSA-N 1 2 278.355 3.343 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](CCCOc1ccccc1)C2 ZINC000405093380 346602889 /nfs/dbraw/zinc/60/28/89/346602889.db2.gz OVROHBNUVUYLIT-UHFFFAOYSA-N 1 2 278.355 3.343 20 30 CGEDLO C=C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)OC ZINC000586642360 346732213 /nfs/dbraw/zinc/73/22/13/346732213.db2.gz VBSYIESONBQBLI-GJZGRUSLSA-N 1 2 295.810 3.397 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595344523 347294630 /nfs/dbraw/zinc/29/46/30/347294630.db2.gz VCCNSXOWNZMPRI-OWCLPIDISA-N 1 2 269.392 3.233 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595344523 347294634 /nfs/dbraw/zinc/29/46/34/347294634.db2.gz VCCNSXOWNZMPRI-OWCLPIDISA-N 1 2 269.392 3.233 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595617360 347328842 /nfs/dbraw/zinc/32/88/42/347328842.db2.gz ZAWRDALHRQTBRA-QWHCGFSZSA-N 1 2 293.436 3.366 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595617360 347328846 /nfs/dbraw/zinc/32/88/46/347328846.db2.gz ZAWRDALHRQTBRA-QWHCGFSZSA-N 1 2 293.436 3.366 20 30 CGEDLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)COC ZINC000595638664 347330786 /nfs/dbraw/zinc/33/07/86/347330786.db2.gz KFDPDSMIKJFGFI-LLVKDONJSA-N 1 2 298.770 3.271 20 30 CGEDLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)COC ZINC000595638664 347330788 /nfs/dbraw/zinc/33/07/88/347330788.db2.gz KFDPDSMIKJFGFI-LLVKDONJSA-N 1 2 298.770 3.271 20 30 CGEDLO C[C@H](C#N)[N@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000595708997 347344244 /nfs/dbraw/zinc/34/42/44/347344244.db2.gz BAJCIVACQCKWJT-KGLIPLIRSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000595708997 347344245 /nfs/dbraw/zinc/34/42/45/347344245.db2.gz BAJCIVACQCKWJT-KGLIPLIRSA-N 1 2 254.377 3.168 20 30 CGEDLO C[C@@H](C#N)[N@@H+](CC[C@H](C)OCc1ccccc1)C1CC1 ZINC000595709903 347344312 /nfs/dbraw/zinc/34/43/12/347344312.db2.gz KAOXNYBHDAXKRZ-GJZGRUSLSA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@@H](C#N)[N@H+](CC[C@H](C)OCc1ccccc1)C1CC1 ZINC000595709903 347344314 /nfs/dbraw/zinc/34/43/14/347344314.db2.gz KAOXNYBHDAXKRZ-GJZGRUSLSA-N 1 2 272.392 3.358 20 30 CGEDLO COc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1F ZINC000595753109 347350369 /nfs/dbraw/zinc/35/03/69/347350369.db2.gz PJJWROSRBJHPFD-CQSZACIVSA-N 1 2 274.339 3.275 20 30 CGEDLO COc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CC2)cc1F ZINC000595753109 347350370 /nfs/dbraw/zinc/35/03/70/347350370.db2.gz PJJWROSRBJHPFD-CQSZACIVSA-N 1 2 274.339 3.275 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595845271 347367356 /nfs/dbraw/zinc/36/73/56/347367356.db2.gz ZLKRVRUKABRMQT-IAQYHMDHSA-N 1 2 255.321 3.124 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595845271 347367358 /nfs/dbraw/zinc/36/73/58/347367358.db2.gz ZLKRVRUKABRMQT-IAQYHMDHSA-N 1 2 255.321 3.124 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885865 347369866 /nfs/dbraw/zinc/36/98/66/347369866.db2.gz KGTWONIVZNFLEI-FZMZJTMJSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885865 347369868 /nfs/dbraw/zinc/36/98/68/347369868.db2.gz KGTWONIVZNFLEI-FZMZJTMJSA-N 1 2 298.308 3.272 20 30 CGEDLO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CC(CC#N)C1 ZINC000597204224 347554433 /nfs/dbraw/zinc/55/44/33/347554433.db2.gz URLGNMXTESVCLK-UHFFFAOYSA-N 1 2 298.217 3.405 20 30 CGEDLO COc1ccc2oc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC000597231884 347559531 /nfs/dbraw/zinc/55/95/31/347559531.db2.gz POQIZSKFJZIHMF-INIZCTEOSA-N 1 2 270.332 3.177 20 30 CGEDLO COc1ccc2oc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC000597231884 347559534 /nfs/dbraw/zinc/55/95/34/347559534.db2.gz POQIZSKFJZIHMF-INIZCTEOSA-N 1 2 270.332 3.177 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000597191588 347547302 /nfs/dbraw/zinc/54/73/02/347547302.db2.gz PHDKGOSVGPCCEU-ZBFHGGJFSA-N 1 2 291.391 3.244 20 30 CGEDLO N#CC1(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599681410 347766127 /nfs/dbraw/zinc/76/61/27/347766127.db2.gz NFHGGYZOOMFURF-CYBMUJFWSA-N 1 2 299.201 3.310 20 30 CGEDLO C/C=C/C[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000599199730 347726181 /nfs/dbraw/zinc/72/61/81/347726181.db2.gz KRGPWGLQMLDBGK-RDFMZFSFSA-N 1 2 255.365 3.444 20 30 CGEDLO CC[N@H+](Cc1nc(C)c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000600107098 347779577 /nfs/dbraw/zinc/77/95/77/347779577.db2.gz LOUVQWDMZDXCIO-CYBMUJFWSA-N 1 2 268.364 3.173 20 30 CGEDLO CC[N@@H+](Cc1nc(C)c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000600107098 347779580 /nfs/dbraw/zinc/77/95/80/347779580.db2.gz LOUVQWDMZDXCIO-CYBMUJFWSA-N 1 2 268.364 3.173 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000600152843 347785427 /nfs/dbraw/zinc/78/54/27/347785427.db2.gz FLFFNPLVAJCBBX-UHFFFAOYSA-N 1 2 260.284 3.160 20 30 CGEDLO CC(C)c1nc2[nH]ccc2c(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC000601191731 347879260 /nfs/dbraw/zinc/87/92/60/347879260.db2.gz QBYCTSDVNIBFGO-LBPRGKRZSA-N 1 2 283.379 3.211 20 30 CGEDLO CN(c1nc2ccccc2n2c[nH+]cc12)[C@H]1CCC[C@H]1C#N ZINC000601233566 347883445 /nfs/dbraw/zinc/88/34/45/347883445.db2.gz MUVXRHONXGCGIA-JSGCOSHPSA-N 1 2 291.358 3.011 20 30 CGEDLO CCCc1[nH+]c2ccccc2n1C[C@H](O)CC1(C#N)CC1 ZINC000601955078 347929149 /nfs/dbraw/zinc/92/91/49/347929149.db2.gz SFLABMKQADQUOS-CYBMUJFWSA-N 1 2 283.375 3.044 20 30 CGEDLO CC(C)Oc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cn1 ZINC000602002137 347931925 /nfs/dbraw/zinc/93/19/25/347931925.db2.gz BKTIWBYLFRDFIQ-UHFFFAOYSA-N 1 2 299.349 3.169 20 30 CGEDLO CC(C)c1cc(C[NH2+]Cc2cccc(F)c2C#N)on1 ZINC000602005565 347932716 /nfs/dbraw/zinc/93/27/16/347932716.db2.gz JPAHUXUQPGNVSW-UHFFFAOYSA-N 1 2 273.311 3.099 20 30 CGEDLO Cc1cn2ccc(C(=O)N(CCC#N)CC(C)(C)C)cc2[nH+]1 ZINC000602094224 347936389 /nfs/dbraw/zinc/93/63/89/347936389.db2.gz NKZOBRAEJZCCKH-UHFFFAOYSA-N 1 2 298.390 3.045 20 30 CGEDLO CC[C@](C)([NH2+]Cc1cccc(C#N)n1)c1nc(C)cs1 ZINC000602549286 347980009 /nfs/dbraw/zinc/98/00/09/347980009.db2.gz ZYKBOHVQBDDVHQ-HNNXBMFYSA-N 1 2 286.404 3.133 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](CCC#N)CC1CC1 ZINC000081043878 260329629 /nfs/dbraw/zinc/32/96/29/260329629.db2.gz RNNWTVVEDORGIH-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000081043878 260329631 /nfs/dbraw/zinc/32/96/31/260329631.db2.gz RNNWTVVEDORGIH-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1oc(-c2ccccc2)nc1C ZINC000602841590 348035685 /nfs/dbraw/zinc/03/56/85/348035685.db2.gz LUENSNPQWQKAGF-CQSZACIVSA-N 1 2 269.348 3.432 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602864560 348038547 /nfs/dbraw/zinc/03/85/47/348038547.db2.gz RZNAAYKPNLDPJS-KGLIPLIRSA-N 1 2 287.407 3.337 20 30 CGEDLO CN(Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979305 348050300 /nfs/dbraw/zinc/05/03/00/348050300.db2.gz BUOAJARRQXIEFW-AEFFLSMTSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602980741 348051137 /nfs/dbraw/zinc/05/11/37/348051137.db2.gz UZIDNACADOROKX-MFKMUULPSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602980741 348051140 /nfs/dbraw/zinc/05/11/40/348051140.db2.gz UZIDNACADOROKX-MFKMUULPSA-N 1 2 283.297 3.224 20 30 CGEDLO CC(C)[C@H](NC(=O)CC1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000603162053 348062993 /nfs/dbraw/zinc/06/29/93/348062993.db2.gz WFSPPTQNCDKHAO-AWEZNQCLSA-N 1 2 288.395 3.087 20 30 CGEDLO C=CCCCCCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000606814584 348201044 /nfs/dbraw/zinc/20/10/44/348201044.db2.gz NCJLDJHBKXDWQV-UHFFFAOYSA-N 1 2 299.418 3.390 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000609537566 348346442 /nfs/dbraw/zinc/34/64/42/348346442.db2.gz BCMOCIMMAGFKLR-YOEHRIQHSA-N 1 2 289.398 3.052 20 30 CGEDLO Cc1cccn2cc(CN(CCC#N)CCC(C)C)[nH+]c12 ZINC000610391901 348380582 /nfs/dbraw/zinc/38/05/82/348380582.db2.gz BOGUMNDPJDVBPQ-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO CC[C@H](C)Oc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000611260890 348432275 /nfs/dbraw/zinc/43/22/75/348432275.db2.gz YRFYIEVVNREUQK-KBPBESRZSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[C@H](C)Oc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000611260890 348432278 /nfs/dbraw/zinc/43/22/78/348432278.db2.gz YRFYIEVVNREUQK-KBPBESRZSA-N 1 2 290.407 3.464 20 30 CGEDLO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1ccc(C#N)cc1 ZINC000611381788 348443039 /nfs/dbraw/zinc/44/30/39/348443039.db2.gz URBRGNIKELFMKI-GFCCVEGCSA-N 1 2 281.359 3.276 20 30 CGEDLO CC(C)CCc1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611386903 348443781 /nfs/dbraw/zinc/44/37/81/348443781.db2.gz BOBMXMIPRBNYIA-CYBMUJFWSA-N 1 2 298.390 3.381 20 30 CGEDLO Cc1ccc(C#N)nc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000611399543 348447015 /nfs/dbraw/zinc/44/70/15/348447015.db2.gz XHCUBHAFOQLQEC-UHFFFAOYSA-N 1 2 291.358 3.183 20 30 CGEDLO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000611587937 348462443 /nfs/dbraw/zinc/46/24/43/348462443.db2.gz OBNYEKPFYUMOFQ-LBPRGKRZSA-N 1 2 286.354 3.326 20 30 CGEDLO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164486 348498417 /nfs/dbraw/zinc/49/84/17/348498417.db2.gz CPVFSNOCNFXFRH-QGZVFWFLSA-N 1 2 293.455 3.041 20 30 CGEDLO CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164486 348498420 /nfs/dbraw/zinc/49/84/20/348498420.db2.gz CPVFSNOCNFXFRH-QGZVFWFLSA-N 1 2 293.455 3.041 20 30 CGEDLO COc1cc(Br)ccc1C[NH2+]CC(C)(C)C#N ZINC000612588176 348531821 /nfs/dbraw/zinc/53/18/21/348531821.db2.gz RINVYACRVHSPOH-UHFFFAOYSA-N 1 2 297.196 3.097 20 30 CGEDLO C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615652173 348755524 /nfs/dbraw/zinc/75/55/24/348755524.db2.gz RVRZFHGQNVYAQT-GDBMZVCRSA-N 1 2 260.356 3.193 20 30 CGEDLO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615652173 348755527 /nfs/dbraw/zinc/75/55/27/348755527.db2.gz RVRZFHGQNVYAQT-GDBMZVCRSA-N 1 2 260.356 3.193 20 30 CGEDLO C=C[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OC ZINC000619701484 349276323 /nfs/dbraw/zinc/27/63/23/349276323.db2.gz KFDUNOUSMGJNAW-PREGVCBESA-N 1 2 287.403 3.278 20 30 CGEDLO C=C[C@@H]([NH2+][C@@H](CCC(C)C)C(C)(C)C)C(=O)OC ZINC000619734737 349280093 /nfs/dbraw/zinc/28/00/93/349280093.db2.gz OYOXZDVBTRPWSO-OLZOCXBDSA-N 1 2 255.402 3.155 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccccc2F)n1 ZINC000625367190 350164158 /nfs/dbraw/zinc/16/41/58/350164158.db2.gz AYFOQJUYUKKKKH-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccccc2F)n1 ZINC000625367190 350164160 /nfs/dbraw/zinc/16/41/60/350164160.db2.gz AYFOQJUYUKKKKH-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[C@H]1CC[N@@H+](Cc2ncsc2Br)C1 ZINC000625705228 350201009 /nfs/dbraw/zinc/20/10/09/350201009.db2.gz NDHIHKVDWRXQKX-VIFPVBQESA-N 1 2 287.226 3.304 20 30 CGEDLO C=CC[C@H]1CC[N@H+](Cc2ncsc2Br)C1 ZINC000625705228 350201012 /nfs/dbraw/zinc/20/10/12/350201012.db2.gz NDHIHKVDWRXQKX-VIFPVBQESA-N 1 2 287.226 3.304 20 30 CGEDLO C=CCN(Cc1[nH]cc(C)[nH+]1)Cc1ccccc1F ZINC000628152954 350413510 /nfs/dbraw/zinc/41/35/10/350413510.db2.gz ULNZDZGDHNFYMH-UHFFFAOYSA-N 1 2 259.328 3.045 20 30 CGEDLO CC[N@H+](Cc1nnc(C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271475478 191161277 /nfs/dbraw/zinc/16/12/77/191161277.db2.gz WQBMBPMGZWNRFV-NSHDSACASA-N 1 2 286.404 3.301 20 30 CGEDLO CC[N@@H+](Cc1nnc(C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271475478 191161280 /nfs/dbraw/zinc/16/12/80/191161280.db2.gz WQBMBPMGZWNRFV-NSHDSACASA-N 1 2 286.404 3.301 20 30 CGEDLO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000157175855 188301741 /nfs/dbraw/zinc/30/17/41/188301741.db2.gz GTALQBVOMWGGJN-HNNXBMFYSA-N 1 2 288.391 3.014 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)o1 ZINC000157962124 188350049 /nfs/dbraw/zinc/35/00/49/188350049.db2.gz DVYRETZMZMWKKH-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)o1 ZINC000157962124 188350050 /nfs/dbraw/zinc/35/00/50/188350050.db2.gz DVYRETZMZMWKKH-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c1C ZINC000158914612 188399941 /nfs/dbraw/zinc/39/99/41/188399941.db2.gz MCXPEJRDTSOKFA-UHFFFAOYSA-N 1 2 295.386 3.090 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)s1 ZINC000273537854 192192187 /nfs/dbraw/zinc/19/21/87/192192187.db2.gz ADHZQBHTQSTOSS-SNVBAGLBSA-N 1 2 291.807 3.202 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000124298238 138373804 /nfs/dbraw/zinc/37/38/04/138373804.db2.gz FIZIFWRHVXAETC-UHFFFAOYSA-N 1 2 260.387 3.240 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3sccc3C2)c1 ZINC000124298238 138373806 /nfs/dbraw/zinc/37/38/06/138373806.db2.gz FIZIFWRHVXAETC-UHFFFAOYSA-N 1 2 260.387 3.240 20 30 CGEDLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425533318 236257798 /nfs/dbraw/zinc/25/77/98/236257798.db2.gz KPWBBMOFNJWEQW-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425533318 236257799 /nfs/dbraw/zinc/25/77/99/236257799.db2.gz KPWBBMOFNJWEQW-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO N#Cc1cccc(C[N@H+](CC(F)F)CC2CCC2)c1 ZINC000341756478 216092667 /nfs/dbraw/zinc/09/26/67/216092667.db2.gz NHENVOFDBDTVSN-UHFFFAOYSA-N 1 2 264.319 3.425 20 30 CGEDLO N#Cc1cccc(C[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000341756478 216092668 /nfs/dbraw/zinc/09/26/68/216092668.db2.gz NHENVOFDBDTVSN-UHFFFAOYSA-N 1 2 264.319 3.425 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000177040966 189023739 /nfs/dbraw/zinc/02/37/39/189023739.db2.gz PULQIRGTGZHYFO-HNNXBMFYSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000177040966 189023740 /nfs/dbraw/zinc/02/37/40/189023740.db2.gz PULQIRGTGZHYFO-HNNXBMFYSA-N 1 2 266.348 3.009 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000120075029 370735767 /nfs/dbraw/zinc/73/57/67/370735767.db2.gz LNJRHQJONQXYLB-WDEREUQCSA-N 1 2 282.347 3.230 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000119905567 370721587 /nfs/dbraw/zinc/72/15/87/370721587.db2.gz PUYJDCMBKSMKNO-HNNXBMFYSA-N 1 2 294.345 3.278 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000119905567 370721594 /nfs/dbraw/zinc/72/15/94/370721594.db2.gz PUYJDCMBKSMKNO-HNNXBMFYSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000451113349 240222094 /nfs/dbraw/zinc/22/20/94/240222094.db2.gz JMSYAKMMWYZJSR-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000451113349 240222096 /nfs/dbraw/zinc/22/20/96/240222096.db2.gz JMSYAKMMWYZJSR-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000004341490 368543509 /nfs/dbraw/zinc/54/35/09/368543509.db2.gz UGSCOSINWIQEDO-UHFFFAOYSA-N 1 2 286.335 3.233 20 30 CGEDLO CC#CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126059425 370942722 /nfs/dbraw/zinc/94/27/22/370942722.db2.gz MCLQQQMOHTVSPA-GOSISDBHSA-N 1 2 289.382 3.276 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000042461010 369222641 /nfs/dbraw/zinc/22/26/41/369222641.db2.gz SXYDARIOTJDTRJ-JTQLQIEISA-N 1 2 272.270 3.177 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000042461010 369222644 /nfs/dbraw/zinc/22/26/44/369222644.db2.gz SXYDARIOTJDTRJ-JTQLQIEISA-N 1 2 272.270 3.177 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)N(c1ccccc1)C(C)C ZINC000046438276 369294266 /nfs/dbraw/zinc/29/42/66/369294266.db2.gz WZRMTHRZFODNCN-UHFFFAOYSA-N 1 2 272.392 3.102 20 30 CGEDLO C#CCC1(C(=O)Nc2c[nH+]ccc2OC)CCCCC1 ZINC000276224372 193249569 /nfs/dbraw/zinc/24/95/69/193249569.db2.gz CNAWZZIBEXDXKV-UHFFFAOYSA-N 1 2 272.348 3.003 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000057846713 369548946 /nfs/dbraw/zinc/54/89/46/369548946.db2.gz BSBSSOISOWVAAP-JTQLQIEISA-N 1 2 272.270 3.319 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000057846713 369548951 /nfs/dbraw/zinc/54/89/51/369548951.db2.gz BSBSSOISOWVAAP-JTQLQIEISA-N 1 2 272.270 3.319 20 30 CGEDLO C#CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276444480 193334235 /nfs/dbraw/zinc/33/42/35/193334235.db2.gz LTPBAHLAWOHGEJ-INIZCTEOSA-N 1 2 265.360 3.237 20 30 CGEDLO C#CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276444480 193334237 /nfs/dbraw/zinc/33/42/37/193334237.db2.gz LTPBAHLAWOHGEJ-INIZCTEOSA-N 1 2 265.360 3.237 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc2ccccc21 ZINC000066215697 369689730 /nfs/dbraw/zinc/68/97/30/369689730.db2.gz GPIIVLUXTJMFGA-UHFFFAOYSA-N 1 2 280.371 3.452 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066846540 369707412 /nfs/dbraw/zinc/70/74/12/369707412.db2.gz PPASJCJJUUXNLF-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000066846540 369707414 /nfs/dbraw/zinc/70/74/14/369707414.db2.gz PPASJCJJUUXNLF-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000084074030 370010726 /nfs/dbraw/zinc/01/07/26/370010726.db2.gz KXSBPPCYIYJIRD-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO CC[N@@H+](Cc1cnc(C2CCC2)s1)C[C@@H](C)C#N ZINC000091984042 370085485 /nfs/dbraw/zinc/08/54/85/370085485.db2.gz GURXOHIWKTWZME-NSHDSACASA-N 1 2 263.410 3.392 20 30 CGEDLO CC[N@H+](Cc1cnc(C2CCC2)s1)C[C@@H](C)C#N ZINC000091984042 370085487 /nfs/dbraw/zinc/08/54/87/370085487.db2.gz GURXOHIWKTWZME-NSHDSACASA-N 1 2 263.410 3.392 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000097040118 370217778 /nfs/dbraw/zinc/21/77/78/370217778.db2.gz GSUBNRJMUGQUCY-UHFFFAOYSA-N 1 2 265.316 3.131 20 30 CGEDLO CCCCCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104983274 370348679 /nfs/dbraw/zinc/34/86/79/370348679.db2.gz GJAGSSJKADISEN-UHFFFAOYSA-N 1 2 289.423 3.091 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000129575212 370993318 /nfs/dbraw/zinc/99/33/18/370993318.db2.gz XWFMFWMJALNERQ-GFCCVEGCSA-N 1 2 255.321 3.076 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000129575212 370993328 /nfs/dbraw/zinc/99/33/28/370993328.db2.gz XWFMFWMJALNERQ-GFCCVEGCSA-N 1 2 255.321 3.076 20 30 CGEDLO COc1ccncc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000287405236 371650812 /nfs/dbraw/zinc/65/08/12/371650812.db2.gz RZPNQALIHQIALH-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000287405236 371650818 /nfs/dbraw/zinc/65/08/18/371650818.db2.gz RZPNQALIHQIALH-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157251046 372011795 /nfs/dbraw/zinc/01/17/95/372011795.db2.gz UYQHDHPEVRBJSW-HUUCEWRRSA-N 1 2 293.455 3.038 20 30 CGEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157251046 372011798 /nfs/dbraw/zinc/01/17/98/372011798.db2.gz UYQHDHPEVRBJSW-HUUCEWRRSA-N 1 2 293.455 3.038 20 30 CGEDLO CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C1CCCCC1 ZINC000157247267 372012653 /nfs/dbraw/zinc/01/26/53/372012653.db2.gz HLKDHSSCVIJTBT-UHFFFAOYSA-N 1 2 293.455 3.039 20 30 CGEDLO CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C1CCCCC1 ZINC000157247267 372012660 /nfs/dbraw/zinc/01/26/60/372012660.db2.gz HLKDHSSCVIJTBT-UHFFFAOYSA-N 1 2 293.455 3.039 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425151277 372113742 /nfs/dbraw/zinc/11/37/42/372113742.db2.gz WONWFJJADKDRDP-INIZCTEOSA-N 1 2 297.402 3.356 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000428466363 372215261 /nfs/dbraw/zinc/21/52/61/372215261.db2.gz VHIHPHFZBOLGKL-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000293084853 372295879 /nfs/dbraw/zinc/29/58/79/372295879.db2.gz JZVJKDVGPSHTRG-SNVBAGLBSA-N 1 2 289.404 3.030 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000293084853 372295882 /nfs/dbraw/zinc/29/58/82/372295882.db2.gz JZVJKDVGPSHTRG-SNVBAGLBSA-N 1 2 289.404 3.030 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc2O1 ZINC000429138631 372316647 /nfs/dbraw/zinc/31/66/47/372316647.db2.gz FEBDBGPYWIPLGP-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc2O1 ZINC000429138631 372316649 /nfs/dbraw/zinc/31/66/49/372316649.db2.gz FEBDBGPYWIPLGP-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000161714774 372349562 /nfs/dbraw/zinc/34/95/62/372349562.db2.gz XCFVZSFLSCGBGI-LBPRGKRZSA-N 1 2 280.293 3.291 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000161714774 372349566 /nfs/dbraw/zinc/34/95/66/372349566.db2.gz XCFVZSFLSCGBGI-LBPRGKRZSA-N 1 2 280.293 3.291 20 30 CGEDLO C=CC[N@H+](C/C=C\c1ccc(F)cc1F)CCC#N ZINC000430092156 372383334 /nfs/dbraw/zinc/38/33/34/372383334.db2.gz XMNLCDVICULEEB-HYXAFXHYSA-N 1 2 262.303 3.380 20 30 CGEDLO C=CC[N@@H+](C/C=C\c1ccc(F)cc1F)CCC#N ZINC000430092156 372383339 /nfs/dbraw/zinc/38/33/39/372383339.db2.gz XMNLCDVICULEEB-HYXAFXHYSA-N 1 2 262.303 3.380 20 30 CGEDLO Cc1cc(N(C)CC(C)(C)C#N)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432140768 372540870 /nfs/dbraw/zinc/54/08/70/372540870.db2.gz RZNZEKVZSYSCLF-UHFFFAOYSA-N 1 2 298.346 3.437 20 30 CGEDLO Cc1csc([C@H](C#N)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000436696223 372838003 /nfs/dbraw/zinc/83/80/03/372838003.db2.gz ICANGIBCXUKBCO-CQSZACIVSA-N 1 2 299.399 3.003 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1nc(C)c(C#N)cc1Cl ZINC000295860746 372937142 /nfs/dbraw/zinc/93/71/42/372937142.db2.gz YFNDAGRPCKGVBP-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO COc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)ccc1C#N ZINC000442882790 373117461 /nfs/dbraw/zinc/11/74/61/373117461.db2.gz FWACSFZPYFGGLC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C[N@H+]2CCc3ccc(F)cc3C2)ccc1C#N ZINC000442882790 373117468 /nfs/dbraw/zinc/11/74/68/373117468.db2.gz FWACSFZPYFGGLC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCN(CC)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)c[nH+]1 ZINC000442848685 373103101 /nfs/dbraw/zinc/10/31/01/373103101.db2.gz SIMFBAYYISYLPF-CHWSQXEVSA-N 1 2 258.369 3.032 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nnc(C)s1 ZINC000298886942 373429593 /nfs/dbraw/zinc/42/95/93/373429593.db2.gz KTLJHENKASEMQL-NSHDSACASA-N 1 2 277.393 3.231 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nnc(C)s1 ZINC000298886942 373429600 /nfs/dbraw/zinc/42/96/00/373429600.db2.gz KTLJHENKASEMQL-NSHDSACASA-N 1 2 277.393 3.231 20 30 CGEDLO N#Cc1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000301086069 373654507 /nfs/dbraw/zinc/65/45/07/373654507.db2.gz MLRBYHFHOLRDKH-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(=O)OCC ZINC000449659130 373838539 /nfs/dbraw/zinc/83/85/39/373838539.db2.gz VBKAXKDIEDBZQF-IHRRRGAJSA-N 1 2 285.453 3.004 20 30 CGEDLO C=CCC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000449817538 373934873 /nfs/dbraw/zinc/93/48/73/373934873.db2.gz ATIWOSNZRZMVJX-UHFFFAOYSA-N 1 2 287.407 3.252 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OC1CC1)C[C@@H](C)C#N ZINC000450326404 374061515 /nfs/dbraw/zinc/06/15/15/374061515.db2.gz HHPNPCQOYOETEZ-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO CC[N@H+](Cc1ccccc1OC1CC1)C[C@@H](C)C#N ZINC000450326404 374061520 /nfs/dbraw/zinc/06/15/20/374061520.db2.gz HHPNPCQOYOETEZ-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO N#CC1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000450604679 374163431 /nfs/dbraw/zinc/16/34/31/374163431.db2.gz XGYSKASYNHCKAI-UHFFFAOYSA-N 1 2 285.347 3.253 20 30 CGEDLO N#CC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000450604679 374163436 /nfs/dbraw/zinc/16/34/36/374163436.db2.gz XGYSKASYNHCKAI-UHFFFAOYSA-N 1 2 285.347 3.253 20 30 CGEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1Cl ZINC000450609490 374165541 /nfs/dbraw/zinc/16/55/41/374165541.db2.gz DWAWSXFJOCKUKA-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1Cl ZINC000450609490 374165543 /nfs/dbraw/zinc/16/55/43/374165543.db2.gz DWAWSXFJOCKUKA-LLVKDONJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(Br)c1 ZINC000310121353 374207850 /nfs/dbraw/zinc/20/78/50/374207850.db2.gz DRCYIEHWUVXIMT-UHFFFAOYSA-N 1 2 297.196 3.097 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000182623846 374300482 /nfs/dbraw/zinc/30/04/82/374300482.db2.gz CWEAEQVFUXFFJS-ZDUSSCGKSA-N 1 2 285.391 3.206 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCCO2)[nH+]1 ZINC000328777078 374381853 /nfs/dbraw/zinc/38/18/53/374381853.db2.gz LGXDVXSJXYRIAT-CYBMUJFWSA-N 1 2 271.320 3.152 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000183831832 374463305 /nfs/dbraw/zinc/46/33/05/374463305.db2.gz NDDVCURISDDNGT-JTQLQIEISA-N 1 2 276.286 3.474 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000334188110 206163844 /nfs/dbraw/zinc/16/38/44/206163844.db2.gz IIFFJIGRITUKDT-MRXNPFEDSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000334188110 206163848 /nfs/dbraw/zinc/16/38/48/206163848.db2.gz IIFFJIGRITUKDT-MRXNPFEDSA-N 1 2 298.365 3.158 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)o1 ZINC000334375237 374695008 /nfs/dbraw/zinc/69/50/08/374695008.db2.gz UWGLXSJWXJFDCQ-CYBMUJFWSA-N 1 2 274.707 3.028 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)o1 ZINC000334617694 374908856 /nfs/dbraw/zinc/90/88/56/374908856.db2.gz DTFZLIVVJMTULM-UHFFFAOYSA-N 1 2 272.735 3.404 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000188670594 375251003 /nfs/dbraw/zinc/25/10/03/375251003.db2.gz PLBAHLWRQZKSHF-ZDUSSCGKSA-N 1 2 277.416 3.137 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000188670594 375251008 /nfs/dbraw/zinc/25/10/08/375251008.db2.gz PLBAHLWRQZKSHF-ZDUSSCGKSA-N 1 2 277.416 3.137 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000491758038 375341061 /nfs/dbraw/zinc/34/10/61/375341061.db2.gz GQQQKIAUEHALBM-SNVBAGLBSA-N 1 2 262.403 3.325 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000491758038 375341069 /nfs/dbraw/zinc/34/10/69/375341069.db2.gz GQQQKIAUEHALBM-SNVBAGLBSA-N 1 2 262.403 3.325 20 30 CGEDLO CN(CCC[N@H+](CC#N)C1CCCC1)C(=O)OC(C)(C)C ZINC000496124725 375516438 /nfs/dbraw/zinc/51/64/38/375516438.db2.gz CJFHFPXUQUTSTR-UHFFFAOYSA-N 1 2 295.427 3.012 20 30 CGEDLO CN(CCC[N@@H+](CC#N)C1CCCC1)C(=O)OC(C)(C)C ZINC000496124725 375516442 /nfs/dbraw/zinc/51/64/42/375516442.db2.gz CJFHFPXUQUTSTR-UHFFFAOYSA-N 1 2 295.427 3.012 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2ccccc2F)o1 ZINC000191108789 375578118 /nfs/dbraw/zinc/57/81/18/375578118.db2.gz RZXJKPFWRIHLMZ-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2ccccc2F)o1 ZINC000191108789 375578123 /nfs/dbraw/zinc/57/81/23/375578123.db2.gz RZXJKPFWRIHLMZ-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1sccc1Br ZINC000191757756 375659353 /nfs/dbraw/zinc/65/93/53/375659353.db2.gz KKFAISJYMNWBQA-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1sccc1Br ZINC000191757756 375659356 /nfs/dbraw/zinc/65/93/56/375659356.db2.gz KKFAISJYMNWBQA-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc2ccccc2n1CCC ZINC000191763990 375661544 /nfs/dbraw/zinc/66/15/44/375661544.db2.gz IVACOZBYZDKJSU-UHFFFAOYSA-N 1 2 287.407 3.081 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc2ccccc2n1CCC ZINC000191763990 375661545 /nfs/dbraw/zinc/66/15/45/375661545.db2.gz IVACOZBYZDKJSU-UHFFFAOYSA-N 1 2 287.407 3.081 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000500780647 375637260 /nfs/dbraw/zinc/63/72/60/375637260.db2.gz LOEBFAXFFUZEND-LSDHHAIUSA-N 1 2 295.810 3.368 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@H]2CCOC(C)(C)C2)c1 ZINC000124151363 542031612 /nfs/dbraw/zinc/03/16/12/542031612.db2.gz BXQMXKQPJSOLSR-HNEYUBDGSA-N 1 2 277.364 3.167 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000533597747 375955070 /nfs/dbraw/zinc/95/50/70/375955070.db2.gz LQKNFSSHFMMHEU-ZDUSSCGKSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000533597747 375955080 /nfs/dbraw/zinc/95/50/80/375955080.db2.gz LQKNFSSHFMMHEU-ZDUSSCGKSA-N 1 2 272.779 3.316 20 30 CGEDLO CCC[C@H](C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000538308399 376232161 /nfs/dbraw/zinc/23/21/61/376232161.db2.gz OQZNJKDTKTVNMO-FUHWJXTLSA-N 1 2 285.435 3.133 20 30 CGEDLO CCC[C@H](C)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000538308399 376232166 /nfs/dbraw/zinc/23/21/66/376232166.db2.gz OQZNJKDTKTVNMO-FUHWJXTLSA-N 1 2 285.435 3.133 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000541759959 376479166 /nfs/dbraw/zinc/47/91/66/376479166.db2.gz AQRCZCXNIMEULM-LLVKDONJSA-N 1 2 263.410 3.440 20 30 CGEDLO N#Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1Cl ZINC000543442347 376643933 /nfs/dbraw/zinc/64/39/33/376643933.db2.gz YPYDEZFDNMFZQZ-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000264583530 190120372 /nfs/dbraw/zinc/12/03/72/190120372.db2.gz YOUOMHKAEYSCQO-ZDUSSCGKSA-N 1 2 269.348 3.450 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(CCC(C)C)n1 ZINC000339755292 376834908 /nfs/dbraw/zinc/83/49/08/376834908.db2.gz FNAIHDLKGNYJGQ-UHFFFAOYSA-N 1 2 250.411 3.187 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(CCC(C)C)n1 ZINC000339755292 376834914 /nfs/dbraw/zinc/83/49/14/376834914.db2.gz FNAIHDLKGNYJGQ-UHFFFAOYSA-N 1 2 250.411 3.187 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000339819161 376859383 /nfs/dbraw/zinc/85/93/83/376859383.db2.gz GANIDUWNBFLSFA-OAHLLOKOSA-N 1 2 294.402 3.055 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000339819161 376859386 /nfs/dbraw/zinc/85/93/86/376859386.db2.gz GANIDUWNBFLSFA-OAHLLOKOSA-N 1 2 294.402 3.055 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000246186046 376983332 /nfs/dbraw/zinc/98/33/32/376983332.db2.gz KYEBPSQHCPBORM-STQMWFEESA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CO1 ZINC000246186046 376983337 /nfs/dbraw/zinc/98/33/37/376983337.db2.gz KYEBPSQHCPBORM-STQMWFEESA-N 1 2 297.320 3.166 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000567250672 377505965 /nfs/dbraw/zinc/50/59/65/377505965.db2.gz RPIPYTFLAQDNTA-ZWNOBZJWSA-N 1 2 268.282 3.199 20 30 CGEDLO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC1(C#N)CC1 ZINC000565687526 377488170 /nfs/dbraw/zinc/48/81/70/377488170.db2.gz IHTNODVXXCJZDV-UHFFFAOYSA-N 1 2 298.217 3.453 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(NC[C@H](C)C#N)c2c1 ZINC000568474144 377519507 /nfs/dbraw/zinc/51/95/07/377519507.db2.gz GSPSWVUGNNIOOU-GFCCVEGCSA-N 1 2 269.348 3.015 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC2(CCC2)O1 ZINC000570959561 377540915 /nfs/dbraw/zinc/54/09/15/377540915.db2.gz ICTWLCJUICBMTJ-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC2(CCC2)O1 ZINC000570959561 377540920 /nfs/dbraw/zinc/54/09/20/377540920.db2.gz ICTWLCJUICBMTJ-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO CCC[C@H](C#N)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000569690572 377529412 /nfs/dbraw/zinc/52/94/12/377529412.db2.gz CRCZNZXBPFYWAL-CYBMUJFWSA-N 1 2 295.342 3.296 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000573695336 377565177 /nfs/dbraw/zinc/56/51/77/377565177.db2.gz LRNHODPPQFQNSR-DZGCQCFKSA-N 1 2 295.386 3.449 20 30 CGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(C)[nH+]cn1 ZINC000343329831 377955174 /nfs/dbraw/zinc/95/51/74/377955174.db2.gz DEXORMYGROLZKQ-UHFFFAOYSA-N 1 2 285.395 3.145 20 30 CGEDLO COc1cccc(/C=[NH+]/CCSC(C)(C)C)c1O ZINC000263865271 377952763 /nfs/dbraw/zinc/95/27/63/377952763.db2.gz ZRWRUTYQVZVETE-XNTDXEJSSA-N 1 2 267.394 3.351 20 30 CGEDLO C=C(C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000343504128 377997911 /nfs/dbraw/zinc/99/79/11/377997911.db2.gz CBCBEFKUPPRZPL-QGZVFWFLSA-N 1 2 290.370 3.197 20 30 CGEDLO CC(C)c1ccc(/C=N/OCc2c[nH+]cn2C)cc1 ZINC000267732362 378043625 /nfs/dbraw/zinc/04/36/25/378043625.db2.gz DCOISBMYMCWBEZ-CAOOACKPSA-N 1 2 257.337 3.094 20 30 CGEDLO C=C1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000266023963 190224050 /nfs/dbraw/zinc/22/40/50/190224050.db2.gz XUZBTOZYCHAQDS-CQSZACIVSA-N 1 2 283.375 3.373 20 30 CGEDLO C=CCCCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000579977388 378213997 /nfs/dbraw/zinc/21/39/97/378213997.db2.gz CPQBAMULUBETJQ-INIZCTEOSA-N 1 2 288.370 3.369 20 30 CGEDLO Cc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000269644177 378248659 /nfs/dbraw/zinc/24/86/59/378248659.db2.gz YTDIFQDLNYNOSK-UHFFFAOYSA-N 1 2 269.373 3.102 20 30 CGEDLO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nccs1 ZINC000272204198 378585416 /nfs/dbraw/zinc/58/54/16/378585416.db2.gz JMWHNSXGQHSKAQ-LLVKDONJSA-N 1 2 269.373 3.355 20 30 CGEDLO CC(C)c1nc(N[C@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000346740821 218003470 /nfs/dbraw/zinc/00/34/70/218003470.db2.gz IDHZYJZAFVWQQX-GFCCVEGCSA-N 1 2 266.348 3.067 20 30 CGEDLO C=C1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000276757831 378992060 /nfs/dbraw/zinc/99/20/60/378992060.db2.gz MJMDCRZWKXLCSZ-UHFFFAOYSA-N 1 2 253.349 3.024 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccsc2)n1 ZINC000266939669 190292416 /nfs/dbraw/zinc/29/24/16/190292416.db2.gz QVOSVIPGSAIWBH-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccsc2)n1 ZINC000266939669 190292417 /nfs/dbraw/zinc/29/24/17/190292417.db2.gz QVOSVIPGSAIWBH-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO N#Cc1cccnc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000267290525 190319034 /nfs/dbraw/zinc/31/90/34/190319034.db2.gz XNKFDCBOWJVVHJ-UHFFFAOYSA-N 1 2 279.347 3.446 20 30 CGEDLO Cc1nnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000378403028 379820478 /nfs/dbraw/zinc/82/04/78/379820478.db2.gz NADWYTDOHZFREK-UHFFFAOYSA-N 1 2 296.399 3.008 20 30 CGEDLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000378403028 379820482 /nfs/dbraw/zinc/82/04/82/379820482.db2.gz NADWYTDOHZFREK-UHFFFAOYSA-N 1 2 296.399 3.008 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(C)n1 ZINC000352900394 380027460 /nfs/dbraw/zinc/02/74/60/380027460.db2.gz HKFUTIFHQDAACL-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(C)n1 ZINC000352900394 380027464 /nfs/dbraw/zinc/02/74/64/380027464.db2.gz HKFUTIFHQDAACL-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)no1 ZINC000283433683 380061895 /nfs/dbraw/zinc/06/18/95/380061895.db2.gz HLWKDWMCMQGEGV-NWDGAFQWSA-N 1 2 255.321 3.267 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@H](C)CC ZINC000411183124 380134351 /nfs/dbraw/zinc/13/43/51/380134351.db2.gz IUHBIJJTYRNVAO-ZIAGYGMSSA-N 1 2 292.398 3.117 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N[C@H](C)CC ZINC000411183124 380134352 /nfs/dbraw/zinc/13/43/52/380134352.db2.gz IUHBIJJTYRNVAO-ZIAGYGMSSA-N 1 2 292.398 3.117 20 30 CGEDLO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(C2CCCCC2)n1 ZINC000354016976 380280223 /nfs/dbraw/zinc/28/02/23/380280223.db2.gz FSGSUDFIRXNASZ-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(C2CCCCC2)n1 ZINC000354016976 380280233 /nfs/dbraw/zinc/28/02/33/380280233.db2.gz FSGSUDFIRXNASZ-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000354026715 380285290 /nfs/dbraw/zinc/28/52/90/380285290.db2.gz XWZMLTYOWYGCMX-NSHDSACASA-N 1 2 284.363 3.102 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000354026715 380285294 /nfs/dbraw/zinc/28/52/94/380285294.db2.gz XWZMLTYOWYGCMX-NSHDSACASA-N 1 2 284.363 3.102 20 30 CGEDLO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000354034271 380290116 /nfs/dbraw/zinc/29/01/16/380290116.db2.gz PYBANMGNYZWLAH-NSHDSACASA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000354034271 380290122 /nfs/dbraw/zinc/29/01/22/380290122.db2.gz PYBANMGNYZWLAH-NSHDSACASA-N 1 2 273.336 3.027 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000359876714 381379199 /nfs/dbraw/zinc/37/91/99/381379199.db2.gz OZTNIWMKPUETQC-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1F ZINC000359876714 381379202 /nfs/dbraw/zinc/37/92/02/381379202.db2.gz OZTNIWMKPUETQC-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)cc1OC)C[C@H](C)C#N ZINC000361266690 381668630 /nfs/dbraw/zinc/66/86/30/381668630.db2.gz OMSBVWDXOVYMGL-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)cc1OC)C[C@H](C)C#N ZINC000361266690 381668644 /nfs/dbraw/zinc/66/86/44/381668644.db2.gz OMSBVWDXOVYMGL-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000361424333 381741434 /nfs/dbraw/zinc/74/14/34/381741434.db2.gz ZDASEJCYENLUNW-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccncc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000361424333 381741436 /nfs/dbraw/zinc/74/14/36/381741436.db2.gz ZDASEJCYENLUNW-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000361550643 381797633 /nfs/dbraw/zinc/79/76/33/381797633.db2.gz GBCKWAVPLQYNOD-AWEZNQCLSA-N 1 2 286.423 3.050 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000361550643 381797639 /nfs/dbraw/zinc/79/76/39/381797639.db2.gz GBCKWAVPLQYNOD-AWEZNQCLSA-N 1 2 286.423 3.050 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccsc2)oc1C ZINC000361996877 381879142 /nfs/dbraw/zinc/87/91/42/381879142.db2.gz RLSRWWLIOOMRRE-UHFFFAOYSA-N 1 2 292.404 3.346 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccsc2)oc1C ZINC000361996877 381879147 /nfs/dbraw/zinc/87/91/47/381879147.db2.gz RLSRWWLIOOMRRE-UHFFFAOYSA-N 1 2 292.404 3.346 20 30 CGEDLO CCC[N@H+](Cc1ccccc1C#N)[C@@H](CC)C(=O)OCC ZINC000361653495 381860127 /nfs/dbraw/zinc/86/01/27/381860127.db2.gz IMJWXHHWOHXEBW-INIZCTEOSA-N 1 2 288.391 3.112 20 30 CGEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@@H](CC)C(=O)OCC ZINC000361653495 381860134 /nfs/dbraw/zinc/86/01/34/381860134.db2.gz IMJWXHHWOHXEBW-INIZCTEOSA-N 1 2 288.391 3.112 20 30 CGEDLO N#CCC[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000366499564 382312452 /nfs/dbraw/zinc/31/24/52/382312452.db2.gz GLUOZVRUGHQQDV-UHFFFAOYSA-N 1 2 268.282 3.093 20 30 CGEDLO C=Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000365792294 382295233 /nfs/dbraw/zinc/29/52/33/382295233.db2.gz BOJBKIQZONBNEE-QZTJIDSGSA-N 1 2 292.386 3.255 20 30 CGEDLO C=Cn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000365792294 382295237 /nfs/dbraw/zinc/29/52/37/382295237.db2.gz BOJBKIQZONBNEE-QZTJIDSGSA-N 1 2 292.386 3.255 20 30 CGEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCCC[C@H]3C)ccc2[nH+]1 ZINC000328857287 542445115 /nfs/dbraw/zinc/44/51/15/542445115.db2.gz XTNVEUIJNSTYCX-BXUZGUMPSA-N 1 2 286.379 3.357 20 30 CGEDLO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186711746 260008807 /nfs/dbraw/zinc/00/88/07/260008807.db2.gz JPSROJGNVFCLMF-IUCAKERBSA-N 1 2 290.190 3.287 20 30 CGEDLO C[C@H](SCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000190872835 130155735 /nfs/dbraw/zinc/15/57/35/130155735.db2.gz PSQSTBCQGMHQMX-LBPRGKRZSA-N 1 2 257.362 3.249 20 30 CGEDLO CCOC(=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)o1 ZINC000093101273 392235893 /nfs/dbraw/zinc/23/58/93/392235893.db2.gz XXXRIGXFFFMIEW-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCOC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)o1 ZINC000093101273 392235897 /nfs/dbraw/zinc/23/58/97/392235897.db2.gz XXXRIGXFFFMIEW-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1[nH]ncc1C)c1ccc(F)c(F)c1 ZINC000289569284 392424751 /nfs/dbraw/zinc/42/47/51/392424751.db2.gz RSHFPKMCLHGOMX-OAHLLOKOSA-N 1 2 277.318 3.403 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1n[nH]cc1C)c1ccc(F)c(F)c1 ZINC000289569284 392424761 /nfs/dbraw/zinc/42/47/61/392424761.db2.gz RSHFPKMCLHGOMX-OAHLLOKOSA-N 1 2 277.318 3.403 20 30 CGEDLO Cc1ccc(C#N)c(N2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000363676394 392430618 /nfs/dbraw/zinc/43/06/18/392430618.db2.gz WINRQUBZXXWABQ-UHFFFAOYSA-N 1 2 292.386 3.349 20 30 CGEDLO C[C@@H](CC#N)Sc1ccccc1NCc1[nH+]ccn1C ZINC000124440653 392434041 /nfs/dbraw/zinc/43/40/41/392434041.db2.gz HEFDVVNULDIBQU-LBPRGKRZSA-N 1 2 286.404 3.426 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000374041501 392667470 /nfs/dbraw/zinc/66/74/70/392667470.db2.gz ZFTXEKAABYASEC-UHFFFAOYSA-N 1 2 269.797 3.395 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000372639775 392624786 /nfs/dbraw/zinc/62/47/86/392624786.db2.gz NTBQKRYNLPUXOX-MRXNPFEDSA-N 1 2 283.375 3.312 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000372639775 392624794 /nfs/dbraw/zinc/62/47/94/392624794.db2.gz NTBQKRYNLPUXOX-MRXNPFEDSA-N 1 2 283.375 3.312 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)noc1C ZINC000173550126 392626729 /nfs/dbraw/zinc/62/67/29/392626729.db2.gz UICQFFCISJLUGZ-UHFFFAOYSA-N 1 2 263.385 3.443 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)noc1C ZINC000173550126 392626732 /nfs/dbraw/zinc/62/67/32/392626732.db2.gz UICQFFCISJLUGZ-UHFFFAOYSA-N 1 2 263.385 3.443 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000182805876 392749389 /nfs/dbraw/zinc/74/93/89/392749389.db2.gz DQVRDFKADJUPIV-UHFFFAOYSA-N 1 2 264.417 3.112 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000182805876 392749395 /nfs/dbraw/zinc/74/93/95/392749395.db2.gz DQVRDFKADJUPIV-UHFFFAOYSA-N 1 2 264.417 3.112 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1Cl ZINC000179370206 392700012 /nfs/dbraw/zinc/70/00/12/392700012.db2.gz AOSCFYZZXDUSLQ-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1Cl ZINC000179370206 392700019 /nfs/dbraw/zinc/70/00/19/392700019.db2.gz AOSCFYZZXDUSLQ-SNVBAGLBSA-N 1 2 252.745 3.083 20 30 CGEDLO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000186330709 392782016 /nfs/dbraw/zinc/78/20/16/392782016.db2.gz IUHCFHSJFZRPKQ-LBPRGKRZSA-N 1 2 298.390 3.398 20 30 CGEDLO C=CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000338646389 392924335 /nfs/dbraw/zinc/92/43/35/392924335.db2.gz FYRYOROSXMTLMN-UHFFFAOYSA-N 1 2 275.739 3.430 20 30 CGEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000338898366 392933967 /nfs/dbraw/zinc/93/39/67/392933967.db2.gz CYLSYGMBRZCZBG-ZSKSOVMSSA-N 1 2 295.430 3.010 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000339086999 392946881 /nfs/dbraw/zinc/94/68/81/392946881.db2.gz RRBIKNYGSWIJTA-SGMGOOAPSA-N 1 2 282.347 3.079 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@@H](CC)O1 ZINC000404095123 392961998 /nfs/dbraw/zinc/96/19/98/392961998.db2.gz VUHHWWNSXZCZSM-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348708951 393128543 /nfs/dbraw/zinc/12/85/43/393128543.db2.gz AVUJBRUVGNDRDB-WCQYABFASA-N 1 2 262.328 3.231 20 30 CGEDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352835439 393211519 /nfs/dbraw/zinc/21/15/19/393211519.db2.gz OXFVPJPDXQVMSE-VIFPVBQESA-N 1 2 291.351 3.013 20 30 CGEDLO COc1cc(C)[nH+]c(CSCc2nc(C#N)cs2)c1 ZINC000419456573 393384058 /nfs/dbraw/zinc/38/40/58/393384058.db2.gz SYQCQOFNCGPGTM-UHFFFAOYSA-N 1 2 291.401 3.160 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nccc(C)n1)c1ccc(F)c(F)c1 ZINC000360618804 393571629 /nfs/dbraw/zinc/57/16/29/393571629.db2.gz JXDWJTVRVPCELE-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361060497 393659966 /nfs/dbraw/zinc/65/99/66/393659966.db2.gz WNYOZEIMQLDBBU-PMUMKWKESA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361060497 393659969 /nfs/dbraw/zinc/65/99/69/393659969.db2.gz WNYOZEIMQLDBBU-PMUMKWKESA-N 1 2 299.418 3.006 20 30 CGEDLO COc1cc(C[N@@H+]2Cc3ccc(C)cc3C2)ccc1C#N ZINC000443064810 393741237 /nfs/dbraw/zinc/74/12/37/393741237.db2.gz HBXKNWWFRFHLBL-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cc(C[N@H+]2Cc3ccc(C)cc3C2)ccc1C#N ZINC000443064810 393741240 /nfs/dbraw/zinc/74/12/40/393741240.db2.gz HBXKNWWFRFHLBL-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO C=CC[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccccc1 ZINC000667518410 542883560 /nfs/dbraw/zinc/88/35/60/542883560.db2.gz ZRVNKSCMWSHHCQ-UHFFFAOYSA-N 1 2 282.391 3.191 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccccc1 ZINC000667518410 542883563 /nfs/dbraw/zinc/88/35/63/542883563.db2.gz ZRVNKSCMWSHHCQ-UHFFFAOYSA-N 1 2 282.391 3.191 20 30 CGEDLO C=CCC[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000676437285 543397948 /nfs/dbraw/zinc/39/79/48/543397948.db2.gz AFOASIOOBVONCU-KRWDZBQOSA-N 1 2 297.402 3.487 20 30 CGEDLO FC1(F)CC2(C[NH+](CC#Cc3ccccc3Cl)C2)C1 ZINC000677734615 543462535 /nfs/dbraw/zinc/46/25/35/543462535.db2.gz UBOYTMODTSGJSR-UHFFFAOYSA-N 1 2 281.733 3.423 20 30 CGEDLO N#Cc1ccc(COc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000081182114 287071170 /nfs/dbraw/zinc/07/11/70/287071170.db2.gz ZSHGUODRNXEMKC-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO N#Cc1ccc(NCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000078498749 165133634 /nfs/dbraw/zinc/13/36/34/165133634.db2.gz WUKTUOGDFNHIRT-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000091857724 165274281 /nfs/dbraw/zinc/27/42/81/165274281.db2.gz SFCNROSRSYLJSM-UHFFFAOYSA-N 1 2 296.370 3.498 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)o1)C2 ZINC000091857724 165274282 /nfs/dbraw/zinc/27/42/82/165274282.db2.gz SFCNROSRSYLJSM-UHFFFAOYSA-N 1 2 296.370 3.498 20 30 CGEDLO Cc1ccc(COc2cccc(F)c2C#N)c(C)[nH+]1 ZINC000185394253 165750504 /nfs/dbraw/zinc/75/05/04/165750504.db2.gz OSEUMHGRHCUZKE-UHFFFAOYSA-N 1 2 256.280 3.288 20 30 CGEDLO CCC[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000125715266 287249272 /nfs/dbraw/zinc/24/92/72/287249272.db2.gz DXPJLWSDYCETFV-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO CCC[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000125715266 287249277 /nfs/dbraw/zinc/24/92/77/287249277.db2.gz DXPJLWSDYCETFV-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1)Cc1ccccc1C#N ZINC000020266602 171123237 /nfs/dbraw/zinc/12/32/37/171123237.db2.gz NVPRZKKCDDYOOS-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1C#N ZINC000020266602 171123239 /nfs/dbraw/zinc/12/32/39/171123239.db2.gz NVPRZKKCDDYOOS-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO CC[N@H+](Cc1cc(Br)cs1)C[C@@H](C)C#N ZINC000043687110 175094293 /nfs/dbraw/zinc/09/42/93/175094293.db2.gz ZXNDHHSEBNYWLL-VIFPVBQESA-N 1 2 287.226 3.492 20 30 CGEDLO CC[N@@H+](Cc1cc(Br)cs1)C[C@@H](C)C#N ZINC000043687110 175094291 /nfs/dbraw/zinc/09/42/91/175094291.db2.gz ZXNDHHSEBNYWLL-VIFPVBQESA-N 1 2 287.226 3.492 20 30 CGEDLO COc1c(C)c[nH+]c(CSc2cc(C#N)ccn2)c1C ZINC000078709299 177374255 /nfs/dbraw/zinc/37/42/55/177374255.db2.gz DESDKAOFGNBBQM-UHFFFAOYSA-N 1 2 285.372 3.266 20 30 CGEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC1(C#N)CCC1 ZINC000334787180 225321363 /nfs/dbraw/zinc/32/13/63/225321363.db2.gz JGUXKQWEXJVTOK-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC1(C#N)CCC1 ZINC000334787180 225321367 /nfs/dbraw/zinc/32/13/67/225321367.db2.gz JGUXKQWEXJVTOK-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO N#CC1(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC000347477928 226178766 /nfs/dbraw/zinc/17/87/66/226178766.db2.gz KWIVZWYVEXYJRD-UHFFFAOYSA-N 1 2 292.329 3.112 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccco1 ZINC000658336254 418942322 /nfs/dbraw/zinc/94/23/22/418942322.db2.gz QAHZDNQZYDBVNJ-OLZOCXBDSA-N 1 2 259.353 3.371 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)nn1 ZINC000653489767 419036688 /nfs/dbraw/zinc/03/66/88/419036688.db2.gz AMLMIEUAGQRZCZ-UHFFFAOYSA-N 1 2 290.798 3.140 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(Cl)cc2)nn1 ZINC000653489767 419036691 /nfs/dbraw/zinc/03/66/91/419036691.db2.gz AMLMIEUAGQRZCZ-UHFFFAOYSA-N 1 2 290.798 3.140 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000666132048 419191825 /nfs/dbraw/zinc/19/18/25/419191825.db2.gz OXFRBSDZFFIMMW-CYBMUJFWSA-N 1 2 284.363 3.154 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000661470700 419262556 /nfs/dbraw/zinc/26/25/56/419262556.db2.gz VOCZZIQMJIGSFB-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000661470700 419262559 /nfs/dbraw/zinc/26/25/59/419262559.db2.gz VOCZZIQMJIGSFB-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661543162 419270831 /nfs/dbraw/zinc/27/08/31/419270831.db2.gz UTOSHRHHGCFHFL-SNVBAGLBSA-N 1 2 271.286 3.208 20 30 CGEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661543162 419270833 /nfs/dbraw/zinc/27/08/33/419270833.db2.gz UTOSHRHHGCFHFL-SNVBAGLBSA-N 1 2 271.286 3.208 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000352051018 228177080 /nfs/dbraw/zinc/17/70/80/228177080.db2.gz XVWYSCNVDUKFOB-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000352051018 228177081 /nfs/dbraw/zinc/17/70/81/228177081.db2.gz XVWYSCNVDUKFOB-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000352078824 228180372 /nfs/dbraw/zinc/18/03/72/228180372.db2.gz CAAVBDQJCJOLEI-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000352078824 228180373 /nfs/dbraw/zinc/18/03/73/228180373.db2.gz CAAVBDQJCJOLEI-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO CC#CCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662198645 419355510 /nfs/dbraw/zinc/35/55/10/419355510.db2.gz LGYMHOSIPFIMTE-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO CC#CCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662198645 419355511 /nfs/dbraw/zinc/35/55/11/419355511.db2.gz LGYMHOSIPFIMTE-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042324863 260186138 /nfs/dbraw/zinc/18/61/38/260186138.db2.gz FPIJOBGFNFXHDJ-SECBINFHSA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042324863 260186140 /nfs/dbraw/zinc/18/61/40/260186140.db2.gz FPIJOBGFNFXHDJ-SECBINFHSA-N 1 2 285.160 3.180 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C2CC2)no1 ZINC000299337252 260182799 /nfs/dbraw/zinc/18/27/99/260182799.db2.gz MDZFBIWYUPSIIE-UHFFFAOYSA-N 1 2 283.375 3.178 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C2CC2)no1 ZINC000299337252 260182801 /nfs/dbraw/zinc/18/28/01/260182801.db2.gz MDZFBIWYUPSIIE-UHFFFAOYSA-N 1 2 283.375 3.178 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1F ZINC000054183370 260216949 /nfs/dbraw/zinc/21/69/49/260216949.db2.gz HBYDBTQEKXMRSU-LLVKDONJSA-N 1 2 285.160 3.370 20 30 CGEDLO COc1ccc([NH2+]CC(C)(C)CCC#N)c(OC)c1 ZINC000092108263 260267020 /nfs/dbraw/zinc/26/70/20/260267020.db2.gz OFEXDPYLVDCDRV-UHFFFAOYSA-N 1 2 262.353 3.446 20 30 CGEDLO C=CCC[C@@H](C)[NH2+]c1ccc(NS(=O)(=O)CC)cc1 ZINC000130641920 260398818 /nfs/dbraw/zinc/39/88/18/260398818.db2.gz AKICRTNUKNVLET-GFCCVEGCSA-N 1 2 282.409 3.215 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000153999773 261086134 /nfs/dbraw/zinc/08/61/34/261086134.db2.gz PKMJLAVWMQOLIU-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000153999773 261086136 /nfs/dbraw/zinc/08/61/36/261086136.db2.gz PKMJLAVWMQOLIU-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000154229502 261089092 /nfs/dbraw/zinc/08/90/92/261089092.db2.gz QCVFFSYLLPTBLL-CFIPWGOOSA-N 1 2 289.375 3.167 20 30 CGEDLO C#CCN(C(=O)Nc1ccc(C)[nH+]c1C)C1CCCC1 ZINC000491276336 261396737 /nfs/dbraw/zinc/39/67/37/261396737.db2.gz IVWJSRKSJJPILG-UHFFFAOYSA-N 1 2 271.364 3.108 20 30 CGEDLO CC(C)CCN(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000173542453 261536732 /nfs/dbraw/zinc/53/67/32/261536732.db2.gz RHIZRLNAWDMSBL-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)n1cc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000184288470 262014884 /nfs/dbraw/zinc/01/48/84/262014884.db2.gz PNYQKHROYNTMLX-UHFFFAOYSA-N 1 2 299.378 3.154 20 30 CGEDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000111250164 262258631 /nfs/dbraw/zinc/25/86/31/262258631.db2.gz KCPRVFUXMKPBJF-OAHLLOKOSA-N 1 2 295.471 3.141 20 30 CGEDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000111250164 262258632 /nfs/dbraw/zinc/25/86/32/262258632.db2.gz KCPRVFUXMKPBJF-OAHLLOKOSA-N 1 2 295.471 3.141 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000054182016 262260104 /nfs/dbraw/zinc/26/01/04/262260104.db2.gz ZGYZLTBLYCJPHQ-LLVKDONJSA-N 1 2 272.270 3.367 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025636 262280180 /nfs/dbraw/zinc/28/01/80/262280180.db2.gz HFVFJYFSVJJDMN-RYWCDNDXSA-N 1 2 285.347 3.232 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025636 262280182 /nfs/dbraw/zinc/28/01/82/262280182.db2.gz HFVFJYFSVJJDMN-RYWCDNDXSA-N 1 2 285.347 3.232 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000272615266 263007753 /nfs/dbraw/zinc/00/77/53/263007753.db2.gz SZPSHQUDTYOIJW-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1nc(Cc2ccccc2)no1 ZINC000274499839 263024710 /nfs/dbraw/zinc/02/47/10/263024710.db2.gz KHXKQHDTZARRET-QEJZJMRPSA-N 1 2 296.374 3.003 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCOC[C@H]2C)c(O)c1 ZINC000277417350 263041118 /nfs/dbraw/zinc/04/11/18/263041118.db2.gz OYTFIOFMGJCIRP-DZVRYTODSA-N 1 2 277.364 3.025 20 30 CGEDLO Cn1ncc2c1nc[nH+]c2SCCCCC(C)(C)C#N ZINC000277482850 263041395 /nfs/dbraw/zinc/04/13/95/263041395.db2.gz BXLJVZDOFATKNP-UHFFFAOYSA-N 1 2 289.408 3.175 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280897122 263064911 /nfs/dbraw/zinc/06/49/11/263064911.db2.gz FSYAHZDFPRBALU-OAHLLOKOSA-N 1 2 294.402 3.441 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000280897122 263064912 /nfs/dbraw/zinc/06/49/12/263064912.db2.gz FSYAHZDFPRBALU-OAHLLOKOSA-N 1 2 294.402 3.441 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCSC(C)C)c1O ZINC000286446141 263098522 /nfs/dbraw/zinc/09/85/22/263098522.db2.gz JCEBXDNOJXNXTH-XNTDXEJSSA-N 1 2 267.394 3.351 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnccc1OC ZINC000287743720 263102599 /nfs/dbraw/zinc/10/25/99/263102599.db2.gz LGKMFMVOJCBWJF-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnccc1OC ZINC000287743720 263102600 /nfs/dbraw/zinc/10/26/00/263102600.db2.gz LGKMFMVOJCBWJF-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290503497 263117263 /nfs/dbraw/zinc/11/72/63/263117263.db2.gz SQLQJAOQCCMMDY-SECBINFHSA-N 1 2 272.270 3.145 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290503497 263117264 /nfs/dbraw/zinc/11/72/64/263117264.db2.gz SQLQJAOQCCMMDY-SECBINFHSA-N 1 2 272.270 3.145 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(Br)cc1 ZINC000292316693 263131010 /nfs/dbraw/zinc/13/10/10/263131010.db2.gz VQDMIPSACWQTNR-UHFFFAOYSA-N 1 2 279.181 3.351 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Br)cc1 ZINC000292316693 263131009 /nfs/dbraw/zinc/13/10/09/263131009.db2.gz VQDMIPSACWQTNR-UHFFFAOYSA-N 1 2 279.181 3.351 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831505 263135570 /nfs/dbraw/zinc/13/55/70/263135570.db2.gz OUOOCVTVCQUUTQ-YPMHNXCESA-N 1 2 283.350 3.357 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831505 263135571 /nfs/dbraw/zinc/13/55/71/263135571.db2.gz OUOOCVTVCQUUTQ-YPMHNXCESA-N 1 2 283.350 3.357 20 30 CGEDLO CCC[N@H+](CC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294967742 263170216 /nfs/dbraw/zinc/17/02/16/263170216.db2.gz WOGOVDBEOILOKC-LLVKDONJSA-N 1 2 252.308 3.304 20 30 CGEDLO CCC[N@@H+](CC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294967742 263170218 /nfs/dbraw/zinc/17/02/18/263170218.db2.gz WOGOVDBEOILOKC-LLVKDONJSA-N 1 2 252.308 3.304 20 30 CGEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)cc(Cl)c1O ZINC000297739160 263208616 /nfs/dbraw/zinc/20/86/16/263208616.db2.gz KIHHCMGHHSGTBC-SNVBAGLBSA-N 1 2 282.771 3.036 20 30 CGEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(Cl)c1O ZINC000297739160 263208617 /nfs/dbraw/zinc/20/86/17/263208617.db2.gz KIHHCMGHHSGTBC-SNVBAGLBSA-N 1 2 282.771 3.036 20 30 CGEDLO CCCCCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000298199489 263216210 /nfs/dbraw/zinc/21/62/10/263216210.db2.gz WALUTUHUPMBFDJ-UHFFFAOYSA-N 1 2 273.380 3.311 20 30 CGEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ncc[nH]1 ZINC000353628671 263279243 /nfs/dbraw/zinc/27/92/43/263279243.db2.gz BOUOVAKJJAUNQL-OCCSQVGLSA-N 1 2 254.337 3.105 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000341309557 263332926 /nfs/dbraw/zinc/33/29/26/263332926.db2.gz YAJMWGWPMKDGHY-GFCCVEGCSA-N 1 2 296.361 3.040 20 30 CGEDLO C=C1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000341977854 263369195 /nfs/dbraw/zinc/36/91/95/263369195.db2.gz CDHWXNZYTLLBTG-OAHLLOKOSA-N 1 2 284.403 3.006 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990671 263382279 /nfs/dbraw/zinc/38/22/79/263382279.db2.gz NSOOMBHHJYMZRH-JKSUJKDBSA-N 1 2 299.336 3.162 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990671 263382280 /nfs/dbraw/zinc/38/22/80/263382280.db2.gz NSOOMBHHJYMZRH-JKSUJKDBSA-N 1 2 299.336 3.162 20 30 CGEDLO C=CCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000330782539 264052615 /nfs/dbraw/zinc/05/26/15/264052615.db2.gz PPWQZIXGXDKARK-ZDUSSCGKSA-N 1 2 288.395 3.281 20 30 CGEDLO Cc1ccc(-c2nnc(C[NH+]3CCC(C)(C#N)CC3)o2)cc1 ZINC000330787448 264053186 /nfs/dbraw/zinc/05/31/86/264053186.db2.gz XDSFOOXEIIKWNS-UHFFFAOYSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330855073 264069410 /nfs/dbraw/zinc/06/94/10/264069410.db2.gz RVENUKAYXNZODN-ZBFHGGJFSA-N 1 2 299.418 3.339 20 30 CGEDLO C#CCCCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000130572256 264360646 /nfs/dbraw/zinc/36/06/46/264360646.db2.gz DNGVARHAJFIUFZ-UHFFFAOYSA-N 1 2 266.348 3.062 20 30 CGEDLO N#Cc1ccc(SCc2cc[nH+]c(N)c2)c(Cl)c1 ZINC000193092326 270078622 /nfs/dbraw/zinc/07/86/22/270078622.db2.gz XQDRHIAQOCKPFL-UHFFFAOYSA-N 1 2 275.764 3.481 20 30 CGEDLO Cc1cc(NCC(C)(C)C#N)c2cc(F)ccc2[nH+]1 ZINC000359090414 266533386 /nfs/dbraw/zinc/53/33/86/266533386.db2.gz FPARAGHBTLCQQF-UHFFFAOYSA-N 1 2 257.312 3.066 20 30 CGEDLO CCCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369299855 267233784 /nfs/dbraw/zinc/23/37/84/267233784.db2.gz WNVKAZLDVLXJEL-HUUCEWRRSA-N 1 2 250.386 3.104 20 30 CGEDLO CCCCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000369299855 267233786 /nfs/dbraw/zinc/23/37/86/267233786.db2.gz WNVKAZLDVLXJEL-HUUCEWRRSA-N 1 2 250.386 3.104 20 30 CGEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1nc(C#N)cs1 ZINC000356436513 281243569 /nfs/dbraw/zinc/24/35/69/281243569.db2.gz KFQMLZQXOFDXOG-HNNXBMFYSA-N 1 2 283.400 3.352 20 30 CGEDLO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1nc(C#N)cs1 ZINC000356436513 281243570 /nfs/dbraw/zinc/24/35/70/281243570.db2.gz KFQMLZQXOFDXOG-HNNXBMFYSA-N 1 2 283.400 3.352 20 30 CGEDLO N#Cc1csc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000092729868 294996976 /nfs/dbraw/zinc/99/69/76/294996976.db2.gz PXHKZYMDQBAIHN-CYBMUJFWSA-N 1 2 272.377 3.070 20 30 CGEDLO N#CCCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000563052542 327844883 /nfs/dbraw/zinc/84/48/83/327844883.db2.gz DHGANWWTHASODA-UHFFFAOYSA-N 1 2 266.348 3.150 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000571417652 328120620 /nfs/dbraw/zinc/12/06/20/328120620.db2.gz STFCRDAEQGUCEU-CYBMUJFWSA-N 1 2 299.374 3.182 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000571417652 328120621 /nfs/dbraw/zinc/12/06/21/328120621.db2.gz STFCRDAEQGUCEU-CYBMUJFWSA-N 1 2 299.374 3.182 20 30 CGEDLO Cc1ccc2[nH+]c(CN3CCCC(C)(C)[C@H]3C#N)cn2c1 ZINC000277757749 328222570 /nfs/dbraw/zinc/22/25/70/328222570.db2.gz MBKLKAJOBRBXPO-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047813 322056860 /nfs/dbraw/zinc/05/68/60/322056860.db2.gz XMQUPVNVOJEDBI-LLVKDONJSA-N 1 2 285.303 3.252 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047813 322056862 /nfs/dbraw/zinc/05/68/62/322056862.db2.gz XMQUPVNVOJEDBI-LLVKDONJSA-N 1 2 285.303 3.252 20 30 CGEDLO C=CC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000111259370 328341173 /nfs/dbraw/zinc/34/11/73/328341173.db2.gz LCFHIJGLTONQGA-UHFFFAOYSA-N 1 2 292.810 3.485 20 30 CGEDLO CCC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000534663835 328351527 /nfs/dbraw/zinc/35/15/27/328351527.db2.gz VOTBXQOBHNCUDV-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CCC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000534663835 328351528 /nfs/dbraw/zinc/35/15/28/328351528.db2.gz VOTBXQOBHNCUDV-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC1(C#N)CC1 ZINC000425517337 328496721 /nfs/dbraw/zinc/49/67/21/328496721.db2.gz WJSSVIXIQSXYKB-UHFFFAOYSA-N 1 2 278.783 3.477 20 30 CGEDLO N#CCCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000335379259 328580589 /nfs/dbraw/zinc/58/05/89/328580589.db2.gz LJKADENEDMTCGQ-UHFFFAOYSA-N 1 2 254.337 3.083 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000584121642 327044518 /nfs/dbraw/zinc/04/45/18/327044518.db2.gz SPGZIBOMIHFIME-ZDUSSCGKSA-N 1 2 255.321 3.123 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000569541429 327195397 /nfs/dbraw/zinc/19/53/97/327195397.db2.gz SFKQHOBZVWALGB-KGLIPLIRSA-N 1 2 270.380 3.176 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)CCO1 ZINC000574510096 327339591 /nfs/dbraw/zinc/33/95/91/327339591.db2.gz BWRAWBOCIYVMTA-ZNMIVQPWSA-N 1 2 264.413 3.206 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@H+]2CCCC(C)(C)[C@@H]2C#N)CCO1 ZINC000574510096 327339592 /nfs/dbraw/zinc/33/95/92/327339592.db2.gz BWRAWBOCIYVMTA-ZNMIVQPWSA-N 1 2 264.413 3.206 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccccc1Oc1cccnc1 ZINC000177189413 329181670 /nfs/dbraw/zinc/18/16/70/329181670.db2.gz ASGMXCCUCBUXRA-UHFFFAOYSA-N 1 2 267.332 3.219 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccccc1Oc1cccnc1 ZINC000177189413 329181672 /nfs/dbraw/zinc/18/16/72/329181672.db2.gz ASGMXCCUCBUXRA-UHFFFAOYSA-N 1 2 267.332 3.219 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC000181042784 329225178 /nfs/dbraw/zinc/22/51/78/329225178.db2.gz UIYVQDQPMNILIZ-RYUDHWBXSA-N 1 2 257.337 3.370 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC000181042784 329225179 /nfs/dbraw/zinc/22/51/79/329225179.db2.gz UIYVQDQPMNILIZ-RYUDHWBXSA-N 1 2 257.337 3.370 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000184096134 329256147 /nfs/dbraw/zinc/25/61/47/329256147.db2.gz BGMARFPASPALDF-CQSZACIVSA-N 1 2 288.782 3.308 20 30 CGEDLO CC1(C#N)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527955263 330294731 /nfs/dbraw/zinc/29/47/31/330294731.db2.gz QTPXHZSTKPCOEQ-UHFFFAOYSA-N 1 2 251.333 3.365 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694696 330353008 /nfs/dbraw/zinc/35/30/08/330353008.db2.gz XDLKNFUVYVLJJP-ZCFIWIBFSA-N 1 2 293.617 3.413 20 30 CGEDLO C=CCC1(C(=O)NCc2[nH+]ccn2CC)CCCCC1 ZINC000452571322 331069485 /nfs/dbraw/zinc/06/94/85/331069485.db2.gz NRYRFURRWVLJSL-UHFFFAOYSA-N 1 2 275.396 3.046 20 30 CGEDLO C=C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459340096 331276897 /nfs/dbraw/zinc/27/68/97/331276897.db2.gz OUFPCLQBMSAQEH-UHFFFAOYSA-N 1 2 282.181 3.307 20 30 CGEDLO Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](C)C#N ZINC000462499844 331322967 /nfs/dbraw/zinc/32/29/67/331322967.db2.gz GWESBGFYTNAAIO-LLVKDONJSA-N 1 2 253.349 3.448 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000488974698 332036076 /nfs/dbraw/zinc/03/60/76/332036076.db2.gz HWMCKRSCSSZOTJ-UHFFFAOYSA-N 1 2 292.342 3.317 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000489471440 332054635 /nfs/dbraw/zinc/05/46/35/332054635.db2.gz FXNFEEKKWRILCX-AWEZNQCLSA-N 1 2 269.348 3.277 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000489471440 332054636 /nfs/dbraw/zinc/05/46/36/332054636.db2.gz FXNFEEKKWRILCX-AWEZNQCLSA-N 1 2 269.348 3.277 20 30 CGEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000491314852 332188282 /nfs/dbraw/zinc/18/82/82/332188282.db2.gz JHDKVKXWBYASNE-UHFFFAOYSA-N 1 2 296.157 3.108 20 30 CGEDLO C#CC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000491314852 332188283 /nfs/dbraw/zinc/18/82/83/332188283.db2.gz JHDKVKXWBYASNE-UHFFFAOYSA-N 1 2 296.157 3.108 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000491505028 332224808 /nfs/dbraw/zinc/22/48/08/332224808.db2.gz KEQBSBLLMJRTAV-INIZCTEOSA-N 1 2 284.290 3.198 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000491644749 332262769 /nfs/dbraw/zinc/26/27/69/332262769.db2.gz LKLGJILXPBKDCS-LBPRGKRZSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000491644749 332262770 /nfs/dbraw/zinc/26/27/70/332262770.db2.gz LKLGJILXPBKDCS-LBPRGKRZSA-N 1 2 256.374 3.264 20 30 CGEDLO C=CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000492243072 332388928 /nfs/dbraw/zinc/38/89/28/332388928.db2.gz VJGOHYIPVWOVMC-UHFFFAOYSA-N 1 2 266.728 3.399 20 30 CGEDLO C=CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000492243072 332388929 /nfs/dbraw/zinc/38/89/29/332388929.db2.gz VJGOHYIPVWOVMC-UHFFFAOYSA-N 1 2 266.728 3.399 20 30 CGEDLO C=CCC[NH2+][C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000512260040 332960645 /nfs/dbraw/zinc/96/06/45/332960645.db2.gz KLDGKVIWVIEWON-HNNXBMFYSA-N 1 2 281.783 3.284 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)CO1 ZINC000177251067 333056124 /nfs/dbraw/zinc/05/61/24/333056124.db2.gz KYEBPSQHCPBORM-CHWSQXEVSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)CO1 ZINC000177251067 333056125 /nfs/dbraw/zinc/05/61/25/333056125.db2.gz KYEBPSQHCPBORM-CHWSQXEVSA-N 1 2 297.320 3.166 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185599041 333144660 /nfs/dbraw/zinc/14/46/60/333144660.db2.gz GMPSQBJJRRNVII-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185599041 333144662 /nfs/dbraw/zinc/14/46/62/333144662.db2.gz GMPSQBJJRRNVII-HNNXBMFYSA-N 1 2 263.768 3.127 20 30 CGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000523016842 333304704 /nfs/dbraw/zinc/30/47/04/333304704.db2.gz HFSPHOMJIPOSLH-CQSZACIVSA-N 1 2 285.366 3.449 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525964763 333349358 /nfs/dbraw/zinc/34/93/58/333349358.db2.gz LFHRQLXNVYRQCX-MRXNPFEDSA-N 1 2 271.364 3.423 20 30 CGEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C#N ZINC000541764212 333790917 /nfs/dbraw/zinc/79/09/17/333790917.db2.gz UVHDBFHLQXVMGV-CQSZACIVSA-N 1 2 282.391 3.245 20 30 CGEDLO COC[C@H](C#N)[NH2+][C@@H](CC1CCCCC1)C(C)(C)C ZINC000544045697 333912253 /nfs/dbraw/zinc/91/22/53/333912253.db2.gz RTQQSTCHHWMBCR-GJZGRUSLSA-N 1 2 266.429 3.500 20 30 CGEDLO C=CCn1c(C)nnc1SCc1cn2c(cccc2C)[nH+]1 ZINC000074267945 334000488 /nfs/dbraw/zinc/00/04/88/334000488.db2.gz MTARNARXVFYULS-UHFFFAOYSA-N 1 2 299.403 3.021 20 30 CGEDLO CC(C)COC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccco1 ZINC000576288838 335184160 /nfs/dbraw/zinc/18/41/60/335184160.db2.gz HYOGVAJXRHEQGT-INIZCTEOSA-N 1 2 299.374 3.050 20 30 CGEDLO Cc1ccc(CC[C@@H](C)Nc2cc(C)[nH+]cc2C#N)o1 ZINC000425225456 533813211 /nfs/dbraw/zinc/81/32/11/533813211.db2.gz GDHSTYBSQIRSOE-LLVKDONJSA-N 1 2 269.348 3.018 20 30 CGEDLO Cc1cc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c(C#N)c[nH+]1 ZINC000425265652 533916104 /nfs/dbraw/zinc/91/61/04/533916104.db2.gz FEQCWIDWGLRRKI-DUFGSWQCSA-N 1 2 267.376 3.134 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3C#N)sc2C1 ZINC000350467016 534269636 /nfs/dbraw/zinc/26/96/36/534269636.db2.gz ZEHWLMFTWSVELF-GRYCIOLGSA-N 1 2 275.421 3.050 20 30 CGEDLO C=CC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356050672 526380610 /nfs/dbraw/zinc/38/06/10/526380610.db2.gz GFIPKQSAGJPVHD-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356050672 526380615 /nfs/dbraw/zinc/38/06/15/526380615.db2.gz GFIPKQSAGJPVHD-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO C=C(CC)C[N@@H+]1CCCC[C@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347347484 526853133 /nfs/dbraw/zinc/85/31/33/526853133.db2.gz UIJJLOTVPSBAEU-KBPBESRZSA-N 1 2 291.395 3.414 20 30 CGEDLO C=C(CC)C[N@H+]1CCCC[C@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347347484 526853135 /nfs/dbraw/zinc/85/31/35/526853135.db2.gz UIJJLOTVPSBAEU-KBPBESRZSA-N 1 2 291.395 3.414 20 30 CGEDLO C=CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000354685755 527583897 /nfs/dbraw/zinc/58/38/97/527583897.db2.gz BBQIWBMFOVVWHF-UHFFFAOYSA-N 1 2 261.365 3.016 20 30 CGEDLO C=CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000354685755 527583899 /nfs/dbraw/zinc/58/38/99/527583899.db2.gz BBQIWBMFOVVWHF-UHFFFAOYSA-N 1 2 261.365 3.016 20 30 CGEDLO CC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000356091565 528766938 /nfs/dbraw/zinc/76/69/38/528766938.db2.gz SNQYSZRNKALDFT-SNVBAGLBSA-N 1 2 286.297 3.393 20 30 CGEDLO CC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000356091565 528766941 /nfs/dbraw/zinc/76/69/41/528766941.db2.gz SNQYSZRNKALDFT-SNVBAGLBSA-N 1 2 286.297 3.393 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccc(C#N)cc1 ZINC000414294766 529200690 /nfs/dbraw/zinc/20/06/90/529200690.db2.gz DUUOENQCIAPKBH-GXFFZTMASA-N 1 2 272.377 3.212 20 30 CGEDLO O=C(/C=C\c1[nH+]ccn1CC(F)(F)F)c1cccc(F)c1 ZINC000728694866 571815164 /nfs/dbraw/zinc/81/51/64/571815164.db2.gz LKOGZZBYVWAWLN-PLNGDYQASA-N 1 2 298.239 3.481 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000730283922 572335648 /nfs/dbraw/zinc/33/56/48/572335648.db2.gz XOYWMBMWZVGCJR-SFHVURJKSA-N 1 2 298.430 3.311 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC(C)C)cc1 ZINC000730283922 572335650 /nfs/dbraw/zinc/33/56/50/572335650.db2.gz XOYWMBMWZVGCJR-SFHVURJKSA-N 1 2 298.430 3.311 20 30 CGEDLO O=C1c2cccc(Cl)c2SC/C1=C\c1[nH]cc[nH+]1 ZINC000731939715 572439301 /nfs/dbraw/zinc/43/93/01/572439301.db2.gz RRGIQXYYFUIDAY-SOFGYWHQSA-N 1 2 276.748 3.435 20 30 CGEDLO O=C(/C=C\c1[nH+]ccn1Cc1ccccc1)c1cccnc1 ZINC000734096464 572630290 /nfs/dbraw/zinc/63/02/90/572630290.db2.gz NAIPITORRYDVPR-HJWRWDBZSA-N 1 2 289.338 3.223 20 30 CGEDLO CCOc1cccc(/C=[NH+]\[C@@H]2CC[C@H](SC)C2)c1O ZINC000743043147 572636046 /nfs/dbraw/zinc/63/60/46/572636046.db2.gz SEMXYYRUYMNVIP-FLUMIZCASA-N 1 2 279.405 3.494 20 30 CGEDLO C=C(Br)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000741811983 572640819 /nfs/dbraw/zinc/64/08/19/572640819.db2.gz VUVXKYDDZRGSSA-NSHDSACASA-N 1 2 266.182 3.342 20 30 CGEDLO C=C(Br)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000741811983 572640822 /nfs/dbraw/zinc/64/08/22/572640822.db2.gz VUVXKYDDZRGSSA-NSHDSACASA-N 1 2 266.182 3.342 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)c(Br)c1 ZINC000743852148 572690834 /nfs/dbraw/zinc/69/08/34/572690834.db2.gz BMFYEIMEXVARBF-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)c(Br)c1 ZINC000743852148 572690837 /nfs/dbraw/zinc/69/08/37/572690837.db2.gz BMFYEIMEXVARBF-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO CCc1ccc(CO[NH+]=C(N)c2ccc(OC)cc2)cc1 ZINC000735303592 572714159 /nfs/dbraw/zinc/71/41/59/572714159.db2.gz WZUFNEQQLMGCTO-UHFFFAOYSA-N 1 2 284.359 3.095 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1nc(-c2ccncc2)oc1=S ZINC000736589472 572800283 /nfs/dbraw/zinc/80/02/83/572800283.db2.gz ICTBROKYZAUPME-UHFFFAOYSA-N 1 2 290.392 3.123 20 30 CGEDLO C=CCCC[N@H+](C)Cn1nc(-c2ccncc2)oc1=S ZINC000736589472 572800287 /nfs/dbraw/zinc/80/02/87/572800287.db2.gz ICTBROKYZAUPME-UHFFFAOYSA-N 1 2 290.392 3.123 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000260219595 572854714 /nfs/dbraw/zinc/85/47/14/572854714.db2.gz VZBHFNIOUFYTFG-LLVKDONJSA-N 1 2 250.292 3.090 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000260219595 572854718 /nfs/dbraw/zinc/85/47/18/572854718.db2.gz VZBHFNIOUFYTFG-LLVKDONJSA-N 1 2 250.292 3.090 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H](C)c2ccncc2)c1 ZINC000749845559 573047767 /nfs/dbraw/zinc/04/77/67/573047767.db2.gz SDZFHLFYYMLBLP-SJWFJVLYSA-N 1 2 270.332 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000950406508 613295094 /nfs/dbraw/zinc/29/50/94/613295094.db2.gz VITOAZMOWUKXQA-INIZCTEOSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526365 613375409 /nfs/dbraw/zinc/37/54/09/613375409.db2.gz OFBBRSMUUKDKHO-OCCSQVGLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526365 613375410 /nfs/dbraw/zinc/37/54/10/613375410.db2.gz OFBBRSMUUKDKHO-OCCSQVGLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCCCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000890815033 617871559 /nfs/dbraw/zinc/87/15/59/617871559.db2.gz RYRXYGQRXHRXSH-UHFFFAOYSA-N 1 2 283.375 3.301 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900310514 620779000 /nfs/dbraw/zinc/77/90/00/620779000.db2.gz HJAYKFQJNGCWIJ-CYBMUJFWSA-N 1 2 265.401 3.065 20 30 CGEDLO CC[N@@H+](Cc1c(C)nn(C(C)C)c1C)C[C@H](C)C#N ZINC000891716293 618256507 /nfs/dbraw/zinc/25/65/07/618256507.db2.gz NOTBAWBJAXTUPQ-GFCCVEGCSA-N 1 2 262.401 3.062 20 30 CGEDLO CC[N@H+](Cc1c(C)nn(C(C)C)c1C)C[C@H](C)C#N ZINC000891716293 618256508 /nfs/dbraw/zinc/25/65/08/618256508.db2.gz NOTBAWBJAXTUPQ-GFCCVEGCSA-N 1 2 262.401 3.062 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(F)cc1 ZINC000891823763 618317202 /nfs/dbraw/zinc/31/72/02/618317202.db2.gz GDAAKDNTYVLXCQ-UHFFFAOYSA-N 1 2 297.377 3.072 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(F)cc1 ZINC000891823763 618317212 /nfs/dbraw/zinc/31/72/12/618317212.db2.gz GDAAKDNTYVLXCQ-UHFFFAOYSA-N 1 2 297.377 3.072 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1O ZINC000926531103 618727465 /nfs/dbraw/zinc/72/74/65/618727465.db2.gz GDRLDDGFTVPUJO-BYCMXARLSA-N 1 2 296.374 3.207 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccco1)c1cccc(C#N)c1O ZINC000924555636 618826629 /nfs/dbraw/zinc/82/66/29/618826629.db2.gz OPKZCULRLKCCHZ-HNNXBMFYSA-N 1 2 270.332 3.140 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(C#N)s3)c[nH+]c12 ZINC000255921191 618885020 /nfs/dbraw/zinc/88/50/20/618885020.db2.gz WOLSVZQOLAHYSL-XQRVVYSFSA-N 1 2 293.351 3.472 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926872763 618959805 /nfs/dbraw/zinc/95/98/05/618959805.db2.gz AFDWSOKTILPLDQ-LBPRGKRZSA-N 1 2 261.756 3.006 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006675140 619157418 /nfs/dbraw/zinc/15/74/18/619157418.db2.gz FQTCIWWCMJOVNW-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006675140 619157419 /nfs/dbraw/zinc/15/74/19/619157419.db2.gz FQTCIWWCMJOVNW-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1c(Cl)c(C)nn1C ZINC000893421745 619170991 /nfs/dbraw/zinc/17/09/91/619170991.db2.gz RIUFZKQQAYQHND-UHFFFAOYSA-N 1 2 293.798 3.206 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1c(Cl)c(C)nn1C ZINC000893421745 619170992 /nfs/dbraw/zinc/17/09/92/619170992.db2.gz RIUFZKQQAYQHND-UHFFFAOYSA-N 1 2 293.798 3.206 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162852091 619220566 /nfs/dbraw/zinc/22/05/66/619220566.db2.gz KOCUGQQTLDDLHG-UHFFFAOYSA-N 1 2 292.452 3.167 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162852091 619220569 /nfs/dbraw/zinc/22/05/69/619220569.db2.gz KOCUGQQTLDDLHG-UHFFFAOYSA-N 1 2 292.452 3.167 20 30 CGEDLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932159400 619306145 /nfs/dbraw/zinc/30/61/45/619306145.db2.gz ZHVYIJRXKDOUIP-OAHLLOKOSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932159400 619306149 /nfs/dbraw/zinc/30/61/49/619306149.db2.gz ZHVYIJRXKDOUIP-OAHLLOKOSA-N 1 2 258.365 3.209 20 30 CGEDLO NC(=[NH+]OC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000048416933 619493128 /nfs/dbraw/zinc/49/31/28/619493128.db2.gz DUJUJCWMEGRFNV-QPJJXVBHSA-N 1 2 270.307 3.176 20 30 CGEDLO N#Cc1cc(C[N@H+](Cc2ccccn2)C2CC2)cs1 ZINC000894491453 619553052 /nfs/dbraw/zinc/55/30/52/619553052.db2.gz XVWRXXMLIKITHB-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1cc(C[N@@H+](Cc2ccccn2)C2CC2)cs1 ZINC000894491453 619553057 /nfs/dbraw/zinc/55/30/57/619553057.db2.gz XVWRXXMLIKITHB-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000895835321 619894763 /nfs/dbraw/zinc/89/47/63/619894763.db2.gz DDMSFBYEDJJDFH-UHFFFAOYSA-N 1 2 285.309 3.007 20 30 CGEDLO C=CC(C)(C)Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000896066668 619941648 /nfs/dbraw/zinc/94/16/48/619941648.db2.gz OXIJSTQKTLRWTL-UHFFFAOYSA-N 1 2 296.374 3.371 20 30 CGEDLO Cc1cc(NCc2ccc(C)c(C#N)c2)nc(C2CC2)[nH+]1 ZINC000896117016 619950975 /nfs/dbraw/zinc/95/09/75/619950975.db2.gz GQVDKLFJGZQLQU-UHFFFAOYSA-N 1 2 278.359 3.455 20 30 CGEDLO CC(C)(C)c1cc2n(n1)CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000896942236 620108676 /nfs/dbraw/zinc/10/86/76/620108676.db2.gz AQWLUGFUFFNQFL-UHFFFAOYSA-N 1 2 288.439 3.326 20 30 CGEDLO CC(C)(C)c1cc2n(n1)CC[N@H+](CC(C)(C)CCC#N)C2 ZINC000896942236 620108678 /nfs/dbraw/zinc/10/86/78/620108678.db2.gz AQWLUGFUFFNQFL-UHFFFAOYSA-N 1 2 288.439 3.326 20 30 CGEDLO C=CCC1(C(=O)NCC(C)(C)n2cc[nH+]c2)CCCCC1 ZINC000898909193 620608463 /nfs/dbraw/zinc/60/84/63/620608463.db2.gz JVFAKWGNGIWKCE-UHFFFAOYSA-N 1 2 289.423 3.261 20 30 CGEDLO Cc1ncsc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901457764 620893932 /nfs/dbraw/zinc/89/39/32/620893932.db2.gz QLNVCXZPGHCENF-PLNGDYQASA-N 1 2 261.350 3.125 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccccc2C1(C)C ZINC000901465599 620895838 /nfs/dbraw/zinc/89/58/38/620895838.db2.gz UZITYMDWFWFZKW-DHDCSXOGSA-N 1 2 266.344 3.461 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2cc(O)ccc2C1=O ZINC000901469519 620896444 /nfs/dbraw/zinc/89/64/44/620896444.db2.gz BOYHTGPQPBVGIH-NTUHNPAUSA-N 1 2 282.343 3.382 20 30 CGEDLO Cc1[nH]c(/C=C2\Cc3c(cccc3C)C2=O)[nH+]c1C ZINC000901472550 620897501 /nfs/dbraw/zinc/89/75/01/620897501.db2.gz JUVLRBDAVWOIKV-XYOKQWHBSA-N 1 2 252.317 3.157 20 30 CGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1cccc(C2CC2)c1 ZINC000901513140 620922173 /nfs/dbraw/zinc/92/21/73/620922173.db2.gz MOMMTIWWLUYIQU-BQYQJAHWSA-N 1 2 252.317 3.194 20 30 CGEDLO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc(C#N)ccn1 ZINC000902881743 621482688 /nfs/dbraw/zinc/48/26/88/621482688.db2.gz MCQKVFVXGLCUBD-ZDUSSCGKSA-N 1 2 295.390 3.116 20 30 CGEDLO CC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(C#N)c1 ZINC000903007525 621530812 /nfs/dbraw/zinc/53/08/12/621530812.db2.gz BHLKKSMBUXHBNK-AWEZNQCLSA-N 1 2 288.782 3.186 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(Cl)c1 ZINC000903131981 621586757 /nfs/dbraw/zinc/58/67/57/621586757.db2.gz VGCOWBZAKIEYAD-CQSZACIVSA-N 1 2 290.798 3.266 20 30 CGEDLO CN(C)c1cc(-c2cccc(C3(C#N)CC3)c2)cc[nH+]1 ZINC000904848696 622007600 /nfs/dbraw/zinc/00/76/00/622007600.db2.gz FIEKMHXDHSVAOW-UHFFFAOYSA-N 1 2 263.344 3.370 20 30 CGEDLO CCCN(CCC)c1ccc(C=[NH+]N2CCCC2=O)cc1 ZINC000769588257 625572470 /nfs/dbraw/zinc/57/24/70/625572470.db2.gz BAZQSXMXSFNBFD-UHFFFAOYSA-N 1 2 287.407 3.269 20 30 CGEDLO C=CCCSCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912383807 622643185 /nfs/dbraw/zinc/64/31/85/622643185.db2.gz RPLGORBEVDFIDZ-UHFFFAOYSA-N 1 2 278.421 3.046 20 30 CGEDLO O=C1c2ccc(F)cc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000172544475 623253993 /nfs/dbraw/zinc/25/39/93/623253993.db2.gz QKQCGRASOHQTOB-XFXZXTDPSA-N 1 2 278.286 3.296 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000755988653 625667902 /nfs/dbraw/zinc/66/79/02/625667902.db2.gz AYBCNNYDZJVHIM-CZUORRHYSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000755988653 625667917 /nfs/dbraw/zinc/66/79/17/625667917.db2.gz AYBCNNYDZJVHIM-CZUORRHYSA-N 1 2 291.366 3.298 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCCc2ccccc2)c1 ZINC000920942993 624553824 /nfs/dbraw/zinc/55/38/24/624553824.db2.gz JRANZRMTCNUIKM-QGOAFFKASA-N 1 2 269.344 3.453 20 30 CGEDLO C#CC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000181179114 624822460 /nfs/dbraw/zinc/82/24/60/624822460.db2.gz MIIITDWMWXKCLQ-MRXNPFEDSA-N 1 2 282.343 3.077 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000124711099 634486809 /nfs/dbraw/zinc/48/68/09/634486809.db2.gz URPSGSPZVRRDLI-UHFFFAOYSA-N 1 2 272.735 3.207 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839200884 626332168 /nfs/dbraw/zinc/33/21/68/626332168.db2.gz KAKVLIICJPBVGX-UHFFFAOYSA-N 1 2 287.190 3.331 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2(C)CCOCC2)c(O)c1 ZINC000753136134 626446296 /nfs/dbraw/zinc/44/62/96/626446296.db2.gz CMFWAIDJGUUWDE-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839547983 626761568 /nfs/dbraw/zinc/76/15/68/626761568.db2.gz LUFWRVJFJVOOFA-UHFFFAOYSA-N 1 2 299.168 3.365 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839547983 626761569 /nfs/dbraw/zinc/76/15/69/626761569.db2.gz LUFWRVJFJVOOFA-UHFFFAOYSA-N 1 2 299.168 3.365 20 30 CGEDLO CCCCn1nc(C)c(C[NH2+]CC(C)(C)C#N)c1Cl ZINC000757906839 626813584 /nfs/dbraw/zinc/81/35/84/626813584.db2.gz PNFILLVMQWRUOF-UHFFFAOYSA-N 1 2 282.819 3.284 20 30 CGEDLO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000761116540 627017606 /nfs/dbraw/zinc/01/76/06/627017606.db2.gz CPMRNIMIVRPRQF-AWEZNQCLSA-N 1 2 280.318 3.057 20 30 CGEDLO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000761116540 627017609 /nfs/dbraw/zinc/01/76/09/627017609.db2.gz CPMRNIMIVRPRQF-AWEZNQCLSA-N 1 2 280.318 3.057 20 30 CGEDLO C=CC[N@H+](Cc1occc1Br)C(C)C ZINC000768547411 627486362 /nfs/dbraw/zinc/48/63/62/627486362.db2.gz LMOKBJIWLXFWBJ-UHFFFAOYSA-N 1 2 258.159 3.439 20 30 CGEDLO C=CC[N@@H+](Cc1occc1Br)C(C)C ZINC000768547411 627486363 /nfs/dbraw/zinc/48/63/63/627486363.db2.gz LMOKBJIWLXFWBJ-UHFFFAOYSA-N 1 2 258.159 3.439 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000769335951 627543850 /nfs/dbraw/zinc/54/38/50/627543850.db2.gz XMKISDNLHIYUEB-UHFFFAOYSA-N 1 2 284.403 3.460 20 30 CGEDLO C#CCOc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000769335951 627543852 /nfs/dbraw/zinc/54/38/52/627543852.db2.gz XMKISDNLHIYUEB-UHFFFAOYSA-N 1 2 284.403 3.460 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000769441026 627552302 /nfs/dbraw/zinc/55/23/02/627552302.db2.gz FGRDEISJSVGCAD-UHFFFAOYSA-N 1 2 283.705 3.010 20 30 CGEDLO C=CC[N@@H+](Cn1cc(C(C)C)n(C)c1=S)C1CC1 ZINC000771640389 627724842 /nfs/dbraw/zinc/72/48/42/627724842.db2.gz GBCJHDYQZXHIEK-UHFFFAOYSA-N 1 2 265.426 3.287 20 30 CGEDLO C=CC[N@H+](Cn1cc(C(C)C)n(C)c1=S)C1CC1 ZINC000771640389 627724845 /nfs/dbraw/zinc/72/48/45/627724845.db2.gz GBCJHDYQZXHIEK-UHFFFAOYSA-N 1 2 265.426 3.287 20 30 CGEDLO C#CCCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000775560725 628106642 /nfs/dbraw/zinc/10/66/42/628106642.db2.gz SRPHARWWUBOZHT-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO C#CCCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000775560725 628106644 /nfs/dbraw/zinc/10/66/44/628106644.db2.gz SRPHARWWUBOZHT-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCc3ccccc32)cc1 ZINC000775682362 628125691 /nfs/dbraw/zinc/12/56/91/628125691.db2.gz WLZJVMZWFXPQTI-KRWDZBQOSA-N 1 2 296.370 3.410 20 30 CGEDLO CN(C)c1ccncc1C=[NH+]Nc1cccc2ncccc21 ZINC000776186539 628177482 /nfs/dbraw/zinc/17/74/82/628177482.db2.gz UXHWMCDSJYIQJN-UHFFFAOYSA-N 1 2 291.358 3.142 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2occc2Br)CC1 ZINC000780781975 628517504 /nfs/dbraw/zinc/51/75/04/628517504.db2.gz JFQFCUDGESWCQX-UHFFFAOYSA-N 1 2 283.169 3.168 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cnc1Cl ZINC000780781912 628517553 /nfs/dbraw/zinc/51/75/53/628517553.db2.gz IAZYHXXDKQHICD-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO C=CCC[N@@H+](C)Cn1c2c(sc1=O)C[C@H](CCC)CC2 ZINC000786101596 628914060 /nfs/dbraw/zinc/91/40/60/628914060.db2.gz NOFDOHLTUUKSIW-CYBMUJFWSA-N 1 2 294.464 3.280 20 30 CGEDLO C=CCC[N@H+](C)Cn1c2c(sc1=O)C[C@H](CCC)CC2 ZINC000786101596 628914066 /nfs/dbraw/zinc/91/40/66/628914066.db2.gz NOFDOHLTUUKSIW-CYBMUJFWSA-N 1 2 294.464 3.280 20 30 CGEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N(C)C)cc1 ZINC000790192836 629192550 /nfs/dbraw/zinc/19/25/50/629192550.db2.gz GOLMCPICLNPXEU-UHFFFAOYSA-N 1 2 268.364 3.292 20 30 CGEDLO CC(=NNc1[nH+]ccn1C)c1ccc(F)c(Cl)c1 ZINC000790299996 629201170 /nfs/dbraw/zinc/20/11/70/629201170.db2.gz LIGZJOPRQHBDHB-UHFFFAOYSA-N 1 2 266.707 3.049 20 30 CGEDLO CCCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000862359617 629350836 /nfs/dbraw/zinc/35/08/36/629350836.db2.gz PKWXNHNQKDQUDC-UHFFFAOYSA-N 1 2 287.407 3.272 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794682694 629566716 /nfs/dbraw/zinc/56/67/16/629566716.db2.gz BUUOAPGVLUDPDZ-CYBMUJFWSA-N 1 2 294.468 3.377 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c1=S ZINC000794682694 629566720 /nfs/dbraw/zinc/56/67/20/629566720.db2.gz BUUOAPGVLUDPDZ-CYBMUJFWSA-N 1 2 294.468 3.377 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccsc2)s1 ZINC000794707212 629569285 /nfs/dbraw/zinc/56/92/85/629569285.db2.gz LENHXDZPMVNHHQ-ARJAWSKDSA-N 1 2 278.402 3.162 20 30 CGEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)cc(Cl)n1 ZINC000795791645 629716116 /nfs/dbraw/zinc/71/61/16/629716116.db2.gz LOTYGNXMSDDNJG-UHFFFAOYSA-N 1 2 272.739 3.117 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1COC(=O)NCCCC ZINC000796157132 629749635 /nfs/dbraw/zinc/74/96/35/629749635.db2.gz FAWBUWXTADQTOG-ZDUSSCGKSA-N 1 2 288.819 3.120 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1COC(=O)NCCCC ZINC000796157132 629749636 /nfs/dbraw/zinc/74/96/36/629749636.db2.gz FAWBUWXTADQTOG-ZDUSSCGKSA-N 1 2 288.819 3.120 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC(C)(C)OC)c1O ZINC000864347010 629815818 /nfs/dbraw/zinc/81/58/18/629815818.db2.gz IJWKXVNQEYQDKE-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@H]2CCCS2)c1O ZINC000864347295 629816214 /nfs/dbraw/zinc/81/62/14/629816214.db2.gz OJSPQUZJHKXHIZ-JXCQQFQQSA-N 1 2 265.378 3.105 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H]2CCCS2)c1 ZINC000864347311 629816359 /nfs/dbraw/zinc/81/63/59/629816359.db2.gz OSAOWEIDMCCXCP-NWFCWYBLSA-N 1 2 265.378 3.105 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000797529073 629955547 /nfs/dbraw/zinc/95/55/47/629955547.db2.gz GRLBIXZGBCQABJ-LLVKDONJSA-N 1 2 256.187 3.163 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000797529073 629955550 /nfs/dbraw/zinc/95/55/50/629955550.db2.gz GRLBIXZGBCQABJ-LLVKDONJSA-N 1 2 256.187 3.163 20 30 CGEDLO C=C(Cl)C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791420 630678484 /nfs/dbraw/zinc/67/84/84/630678484.db2.gz WOKJGSZDBVGCPL-UHFFFAOYSA-N 1 2 251.757 3.412 20 30 CGEDLO C=C(Cl)C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791420 630678487 /nfs/dbraw/zinc/67/84/87/630678487.db2.gz WOKJGSZDBVGCPL-UHFFFAOYSA-N 1 2 251.757 3.412 20 30 CGEDLO Cc1ccc2c(N[NH2+]C[C@@H]3CCSC3)csc2c1 ZINC000811661516 631104040 /nfs/dbraw/zinc/10/40/40/631104040.db2.gz MIBFMOVJMXALKF-NSHDSACASA-N 1 2 278.446 3.148 20 30 CGEDLO CC[C@H](C)CO[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814938831 631692717 /nfs/dbraw/zinc/69/27/17/631692717.db2.gz WKDFNVYGIFHVQC-QMMMGPOBSA-N 1 2 256.296 3.334 20 30 CGEDLO COc1cccc2cc(C(=O)/C=C\c3ccc(N)[nH+]c3)oc21 ZINC000821032535 632715440 /nfs/dbraw/zinc/71/54/40/632715440.db2.gz UVBFLNLZTYYDIU-ALCCZGGFSA-N 1 2 294.310 3.315 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866256283 633047601 /nfs/dbraw/zinc/04/76/01/633047601.db2.gz IKMBNVBVCYZDRE-WDEREUQCSA-N 1 2 287.388 3.441 20 30 CGEDLO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866275833 633059450 /nfs/dbraw/zinc/05/94/50/633059450.db2.gz IESBPXYAGDRLHB-ZDUSSCGKSA-N 1 2 290.407 3.103 20 30 CGEDLO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866282971 633064445 /nfs/dbraw/zinc/06/44/45/633064445.db2.gz SYWNFAOSWJFYHU-QWHCGFSZSA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H](O)c1ccccc1 ZINC000866360733 633100273 /nfs/dbraw/zinc/10/02/73/633100273.db2.gz YQVXWEFEEKGNBC-AHIWAGSCSA-N 1 2 296.370 3.037 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc(C#N)c1O ZINC000866388527 633117129 /nfs/dbraw/zinc/11/71/29/633117129.db2.gz CIALENUJBKBNGC-JECHBYEQSA-N 1 2 294.354 3.093 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000824099167 633195122 /nfs/dbraw/zinc/19/51/22/633195122.db2.gz QXBYJARKHAJYRE-SECBINFHSA-N 1 2 261.674 3.433 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Br)cc1O ZINC000825959680 633392726 /nfs/dbraw/zinc/39/27/26/633392726.db2.gz QWAWKCDXWMGJFH-UHFFFAOYSA-N 1 2 295.180 3.056 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(Br)cc1O ZINC000825959680 633392732 /nfs/dbraw/zinc/39/27/32/633392732.db2.gz QWAWKCDXWMGJFH-UHFFFAOYSA-N 1 2 295.180 3.056 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000826710091 633427684 /nfs/dbraw/zinc/42/76/84/633427684.db2.gz PWENWQAOHDSYSE-QGZVFWFLSA-N 1 2 284.403 3.058 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000826710091 633427687 /nfs/dbraw/zinc/42/76/87/633427687.db2.gz PWENWQAOHDSYSE-QGZVFWFLSA-N 1 2 284.403 3.058 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000826861618 633438341 /nfs/dbraw/zinc/43/83/41/633438341.db2.gz HLWAMFDONHGUHY-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)C(F)F)cc1 ZINC000834827024 634249196 /nfs/dbraw/zinc/24/91/96/634249196.db2.gz HHTMITOSIJRTBR-RISCZKNCSA-N 1 2 267.319 3.393 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000876691071 634882373 /nfs/dbraw/zinc/88/23/73/634882373.db2.gz ZJTMXHZGWFDBCT-LLVKDONJSA-N 1 2 257.312 3.108 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000876691071 634882375 /nfs/dbraw/zinc/88/23/75/634882375.db2.gz ZJTMXHZGWFDBCT-LLVKDONJSA-N 1 2 257.312 3.108 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000876792049 634899976 /nfs/dbraw/zinc/89/99/76/634899976.db2.gz QCBNPQXCNCWUGN-LBPRGKRZSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000876792049 634899979 /nfs/dbraw/zinc/89/99/79/634899979.db2.gz QCBNPQXCNCWUGN-LBPRGKRZSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+]C3CCC(C#N)CC3)cc2)CCO1 ZINC000876866746 634916377 /nfs/dbraw/zinc/91/63/77/634916377.db2.gz WNFMEJLCLMIBKW-QQFBHYJXSA-N 1 2 299.418 3.406 20 30 CGEDLO CCOc1cccc(F)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000877183093 635009084 /nfs/dbraw/zinc/00/90/84/635009084.db2.gz XZMZSCLJRACAPL-UHFFFAOYSA-N 1 2 276.355 3.350 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cn(CCC)nn1)Cc1ccccc1 ZINC000877487292 635056605 /nfs/dbraw/zinc/05/66/05/635056605.db2.gz SIAUPTHGALRQFA-UHFFFAOYSA-N 1 2 284.407 3.266 20 30 CGEDLO C=C(C)C[N@H+](Cc1cn(CCC)nn1)Cc1ccccc1 ZINC000877487292 635056612 /nfs/dbraw/zinc/05/66/12/635056612.db2.gz SIAUPTHGALRQFA-UHFFFAOYSA-N 1 2 284.407 3.266 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccc(F)cc1 ZINC000877544024 635082192 /nfs/dbraw/zinc/08/21/92/635082192.db2.gz KNEDVRIODDOSNB-SFHVURJKSA-N 1 2 297.377 3.286 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000877549295 635084650 /nfs/dbraw/zinc/08/46/50/635084650.db2.gz BBRZJYFJLCZLTD-UHFFFAOYSA-N 1 2 275.352 3.193 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000877549295 635084655 /nfs/dbraw/zinc/08/46/55/635084655.db2.gz BBRZJYFJLCZLTD-UHFFFAOYSA-N 1 2 275.352 3.193 20 30 CGEDLO CC([NH2+]Nc1oc(CC(C)C)nc1C#N)=C1CC1(F)F ZINC000841622282 635199292 /nfs/dbraw/zinc/19/92/92/635199292.db2.gz WBYHLPRBSKIVMU-VIFPVBQESA-N 1 2 282.294 3.188 20 30 CGEDLO NC(=[NH+]OCC1CCC(F)(F)CC1)c1ccc(F)cc1 ZINC000842019405 635255900 /nfs/dbraw/zinc/25/59/00/635255900.db2.gz NHXWTXCWPVWALZ-UHFFFAOYSA-N 1 2 286.297 3.288 20 30 CGEDLO CC1=C(Br)C[N@H+](CC2(CC#N)CC2)CC1 ZINC000878547548 635552706 /nfs/dbraw/zinc/55/27/06/635552706.db2.gz JYIXKNOVORBUAS-UHFFFAOYSA-N 1 2 269.186 3.055 20 30 CGEDLO CC1=C(Br)C[N@@H+](CC2(CC#N)CC2)CC1 ZINC000878547548 635552711 /nfs/dbraw/zinc/55/27/11/635552711.db2.gz JYIXKNOVORBUAS-UHFFFAOYSA-N 1 2 269.186 3.055 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000878819167 635635992 /nfs/dbraw/zinc/63/59/92/635635992.db2.gz ZMCRYUWDFCDCTI-OLZOCXBDSA-N 1 2 281.359 3.059 20 30 CGEDLO C#CCC[NH2+]C1(C(=O)OC(C)(C)C)CCCCCC1 ZINC000844393510 635888672 /nfs/dbraw/zinc/88/86/72/635888672.db2.gz IKQFIGBEYOBUHI-UHFFFAOYSA-N 1 2 265.397 3.034 20 30 CGEDLO Cc1nsc(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000846807194 636246641 /nfs/dbraw/zinc/24/66/41/636246641.db2.gz QSDYJCNIBXITJC-UHFFFAOYSA-N 1 2 251.399 3.132 20 30 CGEDLO Cc1nsc(C)c1C[N@H+](CCC#N)CC(C)C ZINC000846807194 636246653 /nfs/dbraw/zinc/24/66/53/636246653.db2.gz QSDYJCNIBXITJC-UHFFFAOYSA-N 1 2 251.399 3.132 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)CC#N)c2cc1C ZINC000129550806 636298113 /nfs/dbraw/zinc/29/81/13/636298113.db2.gz ARRNZMQLTNZMJV-CYBMUJFWSA-N 1 2 284.359 3.144 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)CC#N)c2cc1C ZINC000129550806 636298116 /nfs/dbraw/zinc/29/81/16/636298116.db2.gz ARRNZMQLTNZMJV-CYBMUJFWSA-N 1 2 284.359 3.144 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000847020889 636313015 /nfs/dbraw/zinc/31/30/15/636313015.db2.gz FPYBEJXUZLEQOK-CYBMUJFWSA-N 1 2 285.366 3.041 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000847020889 636313017 /nfs/dbraw/zinc/31/30/17/636313017.db2.gz FPYBEJXUZLEQOK-CYBMUJFWSA-N 1 2 285.366 3.041 20 30 CGEDLO NC(=[NH+]OCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000025214598 636324023 /nfs/dbraw/zinc/32/40/23/636324023.db2.gz VSHRRAUEJLEBGC-UHFFFAOYSA-N 1 2 299.355 3.240 20 30 CGEDLO C[C@H]1CCC(=NNCCCn2cc[nH+]c2)c2sccc21 ZINC000848416373 636571460 /nfs/dbraw/zinc/57/14/60/636571460.db2.gz JFTDAYATKYUWST-LBPRGKRZSA-N 1 2 288.420 3.226 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)OCCCC(C)(C)C#N)ccn12 ZINC000848782128 636656239 /nfs/dbraw/zinc/65/62/39/636656239.db2.gz GETQJEBEJWRLFK-UHFFFAOYSA-N 1 2 285.347 3.130 20 30 CGEDLO CCCCCCC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000848924526 636696831 /nfs/dbraw/zinc/69/68/31/636696831.db2.gz UTJIYDQIHPQTKL-UONOGXRCSA-N 1 2 294.443 3.495 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCCOC(C)(C)C)c(O)c1 ZINC000849172414 636764839 /nfs/dbraw/zinc/76/48/39/636764839.db2.gz RSUGPHIEDLBYAQ-SFQUDFHCSA-N 1 2 279.380 3.415 20 30 CGEDLO COc1cccc(/C=[NH+]\CCCOC(C)(C)C)c1O ZINC000849172456 636765031 /nfs/dbraw/zinc/76/50/31/636765031.db2.gz SIWXNTSGESWITF-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO C=C[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000851452789 637399012 /nfs/dbraw/zinc/39/90/12/637399012.db2.gz WHVJGAXXSIAKBC-INIZCTEOSA-N 1 2 296.370 3.232 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000852102770 637597212 /nfs/dbraw/zinc/59/72/12/637597212.db2.gz PMSNFNAPJQSUFP-SJKOYZFVSA-N 1 2 299.374 3.198 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000852676908 637694197 /nfs/dbraw/zinc/69/41/97/637694197.db2.gz ULXGXNIIBWEIIX-SNVBAGLBSA-N 1 2 280.582 3.369 20 30 CGEDLO C[C@@H]([NH2+]C1CCC=CCC1)c1cccc(C#N)c1O ZINC000886815446 637701379 /nfs/dbraw/zinc/70/13/79/637701379.db2.gz DQRGHQGXGBZMRR-GFCCVEGCSA-N 1 2 256.349 3.413 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(O)[C@H](C)CC ZINC000853323759 637809537 /nfs/dbraw/zinc/80/95/37/637809537.db2.gz LKDZTKLWJMIVMU-RHSMWYFYSA-N 1 2 290.407 3.083 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)C[C@@H](C)O ZINC000853375388 637827889 /nfs/dbraw/zinc/82/78/89/637827889.db2.gz NBNLWLUSXBFCKQ-CQSZACIVSA-N 1 2 290.407 3.083 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1(C)CCOCC1 ZINC000853430796 637840090 /nfs/dbraw/zinc/84/00/90/637840090.db2.gz IUSAYQHWCZMXNM-UHFFFAOYSA-N 1 2 288.391 3.102 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCCSC1 ZINC000853629117 637877300 /nfs/dbraw/zinc/87/73/00/637877300.db2.gz FMCYPJDEVKKQBE-AWEZNQCLSA-N 1 2 290.432 3.429 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1(OC)CCCC1 ZINC000853649872 637881435 /nfs/dbraw/zinc/88/14/35/637881435.db2.gz GGFBDHHMPNIHGL-UHFFFAOYSA-N 1 2 288.391 3.245 20 30 CGEDLO C#CC[C@@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000853708076 637897827 /nfs/dbraw/zinc/89/78/27/637897827.db2.gz DMMWXGQSNZGTDV-CYBMUJFWSA-N 1 2 265.360 3.057 20 30 CGEDLO C=C[C@H](OC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000857658337 638547032 /nfs/dbraw/zinc/54/70/32/638547032.db2.gz GHXZQAIYMVHFAC-HNNXBMFYSA-N 1 2 270.332 3.134 20 30 CGEDLO CCC(F)(F)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000858258685 638665795 /nfs/dbraw/zinc/66/57/95/638665795.db2.gz GFSGQBYOFIXWOB-LLVKDONJSA-N 1 2 268.307 3.112 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000926424501 638770198 /nfs/dbraw/zinc/77/01/98/638770198.db2.gz NSWSNWPWYYMPPO-BBRMVZONSA-N 1 2 291.414 3.346 20 30 CGEDLO CC[C@H]([NH2+]CCC(C)(F)F)c1cccc(C#N)c1O ZINC000926495874 638777716 /nfs/dbraw/zinc/77/77/16/638777716.db2.gz WTNWCIJPHADHJV-LBPRGKRZSA-N 1 2 268.307 3.350 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc(C#N)c1O ZINC000926702309 638801190 /nfs/dbraw/zinc/80/11/90/638801190.db2.gz AYHKKKJAGSEPMT-XPKDYRNWSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1O ZINC000926744993 638806221 /nfs/dbraw/zinc/80/62/21/638806221.db2.gz OZDHJWWFIJTZBX-HNNXBMFYSA-N 1 2 256.349 3.271 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000926821607 638815294 /nfs/dbraw/zinc/81/52/94/638815294.db2.gz KNEGUMNQBMKOBP-HIFRSBDPSA-N 1 2 288.391 3.120 20 30 CGEDLO C=C[C@@H](CC)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000929806242 638953219 /nfs/dbraw/zinc/95/32/19/638953219.db2.gz INSMPSKRMCAONB-ZDUSSCGKSA-N 1 2 269.348 3.413 20 30 CGEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000932151422 639276852 /nfs/dbraw/zinc/27/68/52/639276852.db2.gz ISQUKQRTIINIIJ-CQSZACIVSA-N 1 2 294.402 3.036 20 30 CGEDLO CN(C)c1ncc(C[N@H+]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000932151422 639276856 /nfs/dbraw/zinc/27/68/56/639276856.db2.gz ISQUKQRTIINIIJ-CQSZACIVSA-N 1 2 294.402 3.036 20 30 CGEDLO CO[C@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154776 639277980 /nfs/dbraw/zinc/27/79/80/639277980.db2.gz MWHURVWTBPXZSG-IUODEOHRSA-N 1 2 278.783 3.263 20 30 CGEDLO CO[C@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154776 639277985 /nfs/dbraw/zinc/27/79/85/639277985.db2.gz MWHURVWTBPXZSG-IUODEOHRSA-N 1 2 278.783 3.263 20 30 CGEDLO CCCOc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932155020 639278671 /nfs/dbraw/zinc/27/86/71/639278671.db2.gz VIWOTWQGHJIAKS-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932155020 639278675 /nfs/dbraw/zinc/27/86/75/639278675.db2.gz VIWOTWQGHJIAKS-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO C=C(Br)C[N@@H+](Cc1ccccn1)CC(C)C ZINC000932444270 639332533 /nfs/dbraw/zinc/33/25/33/639332533.db2.gz GSWKNJDFIDWMRG-UHFFFAOYSA-N 1 2 283.213 3.448 20 30 CGEDLO C=C(Br)C[N@H+](Cc1ccccn1)CC(C)C ZINC000932444270 639332529 /nfs/dbraw/zinc/33/25/29/639332529.db2.gz GSWKNJDFIDWMRG-UHFFFAOYSA-N 1 2 283.213 3.448 20 30 CGEDLO Cc1nc([C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)no1 ZINC000933610351 639469567 /nfs/dbraw/zinc/46/95/67/639469567.db2.gz FSRNYFJZNCTUDN-LBPRGKRZSA-N 1 2 296.374 3.190 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000934467030 639614296 /nfs/dbraw/zinc/61/42/96/639614296.db2.gz WLJWONYAGASNDD-GFCCVEGCSA-N 1 2 278.783 3.237 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(C)cc1Cl ZINC000934467030 639614306 /nfs/dbraw/zinc/61/43/06/639614306.db2.gz WLJWONYAGASNDD-GFCCVEGCSA-N 1 2 278.783 3.237 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836027 639686234 /nfs/dbraw/zinc/68/62/34/639686234.db2.gz YITLXJMBBUVDAX-KZNAEPCWSA-N 1 2 284.403 3.390 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836027 639686235 /nfs/dbraw/zinc/68/62/35/639686235.db2.gz YITLXJMBBUVDAX-KZNAEPCWSA-N 1 2 284.403 3.390 20 30 CGEDLO C=C(C)c1cccc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000934875816 639695327 /nfs/dbraw/zinc/69/53/27/639695327.db2.gz KAPWZVKCQQXEFH-UHFFFAOYSA-N 1 2 298.390 3.470 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000957433872 640803337 /nfs/dbraw/zinc/80/33/37/640803337.db2.gz BSCUPQAGDHJFPR-HUUCEWRRSA-N 1 2 292.467 3.168 20 30 CGEDLO Cc1[nH+]c(N(C)CCC(=O)c2cccs2)ccc1CC#N ZINC001155963152 805629715 /nfs/dbraw/zinc/62/97/15/805629715.db2.gz CYIROXVOIMJCRE-UHFFFAOYSA-N 1 2 299.399 3.227 20 30 CGEDLO N#Cc1cccc(CCc2[nH]c3cc(F)c(F)cc3[nH+]2)c1 ZINC001250582220 805707512 /nfs/dbraw/zinc/70/75/12/805707512.db2.gz WSXLOWNUELCRPB-UHFFFAOYSA-N 1 2 283.281 3.498 20 30 CGEDLO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1 ZINC001250586665 805710188 /nfs/dbraw/zinc/71/01/88/805710188.db2.gz MOXCWMHSYQTADS-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO CN(Cc1cncs1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001157084999 805774829 /nfs/dbraw/zinc/77/48/29/805774829.db2.gz PJLLEUQEBKRDSN-UHFFFAOYSA-N 1 2 280.356 3.199 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252139609 806023402 /nfs/dbraw/zinc/02/34/02/806023402.db2.gz QAIWKNFFLNSJSO-CQSZACIVSA-N 1 2 295.427 3.068 20 30 CGEDLO C=CCC[C@@H](O)CNc1c[nH+]c(CC(C)C)cc1C ZINC001252594040 806079016 /nfs/dbraw/zinc/07/90/16/806079016.db2.gz RGZYWCXVMUPCEU-OAHLLOKOSA-N 1 2 262.397 3.328 20 30 CGEDLO COc1ccc2[nH+]c(NCCCS)c(C)cc2c1 ZINC001159865088 806188039 /nfs/dbraw/zinc/18/80/39/806188039.db2.gz CTVQSAWTMNVZNX-UHFFFAOYSA-N 1 2 262.378 3.284 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3cc(C)c(C#N)cn3)c[nH+]c12 ZINC001160682936 806294214 /nfs/dbraw/zinc/29/42/14/806294214.db2.gz HVMMLHUNOLQAIT-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3ncc(C#N)cc3F)c[nH+]c12 ZINC001160686970 806296515 /nfs/dbraw/zinc/29/65/15/806296515.db2.gz VQKZOCWJADSNTH-NSHDSACASA-N 1 2 295.321 3.222 20 30 CGEDLO N#CCc1cc[nH+]c(NCCc2c[nH]c3ccccc23)c1 ZINC001160780628 806303421 /nfs/dbraw/zinc/30/34/21/806303421.db2.gz VONLDPYTOWRIOX-UHFFFAOYSA-N 1 2 276.343 3.284 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCc2ccccc2CC1)C(=O)OCC ZINC001254455112 806406002 /nfs/dbraw/zinc/40/60/02/806406002.db2.gz WVVYGKSABGZZGN-VQIMIIECSA-N 1 2 299.414 3.031 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC001255159768 806558082 /nfs/dbraw/zinc/55/80/82/806558082.db2.gz BOXNAJAPGGZBMM-CMPLNLGQSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001255164613 806563368 /nfs/dbraw/zinc/56/33/68/806563368.db2.gz OSIMXFCRHFFUOI-GWCFXTLKSA-N 1 2 287.190 3.309 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255175497 806569155 /nfs/dbraw/zinc/56/91/55/806569155.db2.gz POGOSPQQTXFCLN-OLZOCXBDSA-N 1 2 276.384 3.065 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001255175497 806569164 /nfs/dbraw/zinc/56/91/64/806569164.db2.gz POGOSPQQTXFCLN-OLZOCXBDSA-N 1 2 276.384 3.065 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001255175973 806570109 /nfs/dbraw/zinc/57/01/09/806570109.db2.gz UDGGTUACASFSPG-HZPDHXFCSA-N 1 2 283.375 3.094 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001255175973 806570118 /nfs/dbraw/zinc/57/01/18/806570118.db2.gz UDGGTUACASFSPG-HZPDHXFCSA-N 1 2 283.375 3.094 20 30 CGEDLO C#CC1(Nc2nc(C)[nH+]c3c2CCC3)CCCCC1 ZINC001162479366 806595491 /nfs/dbraw/zinc/59/54/91/806595491.db2.gz AUHINXIVTYCWBU-UHFFFAOYSA-N 1 2 255.365 3.022 20 30 CGEDLO N#CCc1cc[nH+]c(NC[C@H](O)c2cc3ccccc3o2)c1 ZINC001162701821 806647945 /nfs/dbraw/zinc/64/79/45/806647945.db2.gz ZZXXUCCYTGTDRR-AWEZNQCLSA-N 1 2 293.326 3.039 20 30 CGEDLO COC[C@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001255582472 806679437 /nfs/dbraw/zinc/67/94/37/806679437.db2.gz UXXFNJOQMNOVTI-LBPRGKRZSA-N 1 2 266.772 3.091 20 30 CGEDLO COC[C@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001255582472 806679440 /nfs/dbraw/zinc/67/94/40/806679440.db2.gz UXXFNJOQMNOVTI-LBPRGKRZSA-N 1 2 266.772 3.091 20 30 CGEDLO N#CCC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000345304381 799295491 /nfs/dbraw/zinc/29/54/91/799295491.db2.gz RPLIFQKJBVQPFN-UHFFFAOYSA-N 1 2 276.286 3.444 20 30 CGEDLO CC(=[NH+]OC/C=C\Cl)c1ccc(Cl)c(N)c1 ZINC000378862615 799344260 /nfs/dbraw/zinc/34/42/60/799344260.db2.gz UAESQBZZYCJBQR-QHFDXLHDSA-N 1 2 259.136 3.415 20 30 CGEDLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000697611120 799846753 /nfs/dbraw/zinc/84/67/53/799846753.db2.gz SKMALLQTNNVKRT-NSHDSACASA-N 1 2 268.307 3.285 20 30 CGEDLO CCOc1cccc(CCNc2[nH+]cccc2CC#N)c1 ZINC001163711906 806806680 /nfs/dbraw/zinc/80/66/80/806806680.db2.gz JEFUOOIJWOUODG-UHFFFAOYSA-N 1 2 281.359 3.201 20 30 CGEDLO CC(=O)C=C(C)Nc1cccc(N2CCCC[C@@H]2C)[nH+]1 ZINC001163738027 806813121 /nfs/dbraw/zinc/81/31/21/806813121.db2.gz PIXWZHIPWAZCPB-HHQWOOOKSA-N 1 2 273.380 3.365 20 30 CGEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000719423696 800239443 /nfs/dbraw/zinc/23/94/43/800239443.db2.gz WSZQDRCKBOACGW-UHFFFAOYSA-N 1 2 292.791 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425745 800728966 /nfs/dbraw/zinc/72/89/66/800728966.db2.gz JGZVKJRWXGMHFT-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425745 800728969 /nfs/dbraw/zinc/72/89/69/800728969.db2.gz JGZVKJRWXGMHFT-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027786934 800819986 /nfs/dbraw/zinc/81/99/86/800819986.db2.gz AQPCDRPAKMEPAC-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027786934 800819991 /nfs/dbraw/zinc/81/99/91/800819991.db2.gz AQPCDRPAKMEPAC-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029456433 800868906 /nfs/dbraw/zinc/86/89/06/800868906.db2.gz CEFZVQGYIAMINE-SNOODDNNSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029456433 800868913 /nfs/dbraw/zinc/86/89/13/800868913.db2.gz CEFZVQGYIAMINE-SNOODDNNSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001032089181 800918258 /nfs/dbraw/zinc/91/82/58/800918258.db2.gz IOROVLGMPKFAPQ-CABCVRRESA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394125 800963305 /nfs/dbraw/zinc/96/33/05/800963305.db2.gz PGHCNCILTAZEPQ-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394125 800963309 /nfs/dbraw/zinc/96/33/09/800963309.db2.gz PGHCNCILTAZEPQ-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033926851 800989708 /nfs/dbraw/zinc/98/97/08/800989708.db2.gz MGTLPUTZYJZHFL-UONOGXRCSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033926851 800989712 /nfs/dbraw/zinc/98/97/12/800989712.db2.gz MGTLPUTZYJZHFL-UONOGXRCSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001043470629 801218260 /nfs/dbraw/zinc/21/82/60/801218260.db2.gz SCGLQZWRKPDAAJ-UHFFFAOYSA-N 1 2 292.467 3.168 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001044059175 801227982 /nfs/dbraw/zinc/22/79/82/801227982.db2.gz LVHFCOGNNBDPSK-CABCVRRESA-N 1 2 292.467 3.168 20 30 CGEDLO CNc1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cc1 ZINC001164151953 806903307 /nfs/dbraw/zinc/90/33/07/806903307.db2.gz BSECHFFCQKQBGC-UHFFFAOYSA-N 1 2 278.359 3.291 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491342 801753138 /nfs/dbraw/zinc/75/31/38/801753138.db2.gz SHTKECNTTNMLLA-NWDGAFQWSA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491342 801753144 /nfs/dbraw/zinc/75/31/44/801753144.db2.gz SHTKECNTTNMLLA-NWDGAFQWSA-N 1 2 298.839 3.083 20 30 CGEDLO N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1N ZINC001244113673 803192890 /nfs/dbraw/zinc/19/28/90/803192890.db2.gz FHLGWMYAGVBMOH-UHFFFAOYSA-N 1 2 274.327 3.052 20 30 CGEDLO N#Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)c(Cl)c1 ZINC001244327364 803306373 /nfs/dbraw/zinc/30/63/73/803306373.db2.gz MSFZLTYQICVWPY-UHFFFAOYSA-N 1 2 268.707 3.109 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1 ZINC001137703627 803761160 /nfs/dbraw/zinc/76/11/60/803761160.db2.gz RLSRTWRXSWNIGQ-UHFFFAOYSA-N 1 2 291.354 3.071 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1 ZINC001137703627 803761165 /nfs/dbraw/zinc/76/11/65/803761165.db2.gz RLSRTWRXSWNIGQ-UHFFFAOYSA-N 1 2 291.354 3.071 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2cccs2)c(C#N)c1 ZINC001137703884 803761539 /nfs/dbraw/zinc/76/15/39/803761539.db2.gz XWFJYTPNTCTDND-UHFFFAOYSA-N 1 2 272.373 3.260 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2cccs2)c(C#N)c1 ZINC001137703884 803761544 /nfs/dbraw/zinc/76/15/44/803761544.db2.gz XWFJYTPNTCTDND-UHFFFAOYSA-N 1 2 272.373 3.260 20 30 CGEDLO N#CCC1C[NH+](Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC001137708496 803763586 /nfs/dbraw/zinc/76/35/86/803763586.db2.gz VYHVQSGVJJCUKK-UHFFFAOYSA-N 1 2 259.740 3.167 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138623092 803983592 /nfs/dbraw/zinc/98/35/92/803983592.db2.gz GUPYPAKHXAMJPU-QGZVFWFLSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138623092 803983599 /nfs/dbraw/zinc/98/35/99/803983599.db2.gz GUPYPAKHXAMJPU-QGZVFWFLSA-N 1 2 294.358 3.004 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCOCC12CC2 ZINC001138666599 803999711 /nfs/dbraw/zinc/99/97/11/803999711.db2.gz ZCGZRVLJZYEGLI-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCOCC12CC2 ZINC001138666599 803999716 /nfs/dbraw/zinc/99/97/16/803999716.db2.gz ZCGZRVLJZYEGLI-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO N#Cc1ccc(NC(=S)Nc2ccc3[nH+]ccn3c2)cc1 ZINC001245875576 804007424 /nfs/dbraw/zinc/00/74/24/804007424.db2.gz DEKDWEOUUIQLEH-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO COc1cc(O)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001139140993 804136573 /nfs/dbraw/zinc/13/65/73/804136573.db2.gz WQAWVXPFHHNAIW-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO COc1cc(O)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001139140993 804136576 /nfs/dbraw/zinc/13/65/76/804136576.db2.gz WQAWVXPFHHNAIW-UHFFFAOYSA-N 1 2 274.364 3.059 20 30 CGEDLO Cc1nc2c(s1)C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139527518 804202167 /nfs/dbraw/zinc/20/21/67/804202167.db2.gz HLDGHGFOYWFXOL-UHFFFAOYSA-N 1 2 287.363 3.021 20 30 CGEDLO Cc1nc2c(s1)C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139527518 804202174 /nfs/dbraw/zinc/20/21/74/804202174.db2.gz HLDGHGFOYWFXOL-UHFFFAOYSA-N 1 2 287.363 3.021 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1CC ZINC001139623436 804234020 /nfs/dbraw/zinc/23/40/20/804234020.db2.gz INKISALEFBILLS-OAHLLOKOSA-N 1 2 272.392 3.383 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1CC ZINC001139623436 804234025 /nfs/dbraw/zinc/23/40/25/804234025.db2.gz INKISALEFBILLS-OAHLLOKOSA-N 1 2 272.392 3.383 20 30 CGEDLO C[N@H+](CCC#N)Cc1c[nH]c2cccc(Br)c12 ZINC001139965401 804336626 /nfs/dbraw/zinc/33/66/26/804336626.db2.gz OPCIVLVHFQWWIA-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cccc(Br)c12 ZINC001139965401 804336633 /nfs/dbraw/zinc/33/66/33/804336633.db2.gz OPCIVLVHFQWWIA-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO CCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246594898 804435362 /nfs/dbraw/zinc/43/53/62/804435362.db2.gz SHALPCBEBHWAMG-HZPDHXFCSA-N 1 2 265.445 3.313 20 30 CGEDLO N#Cc1cccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1Cl ZINC001140813199 804526633 /nfs/dbraw/zinc/52/66/33/804526633.db2.gz YWDKDBDXESXQIB-GFCCVEGCSA-N 1 2 296.798 3.241 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076693 804584780 /nfs/dbraw/zinc/58/47/80/804584780.db2.gz ZWTGNVSEEDAYNB-HNNXBMFYSA-N 1 2 295.430 3.121 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076693 804584782 /nfs/dbraw/zinc/58/47/82/804584782.db2.gz ZWTGNVSEEDAYNB-HNNXBMFYSA-N 1 2 295.430 3.121 20 30 CGEDLO C=CC[N@@H+](C)Cc1cccc(C)c1Br ZINC001141092190 804587161 /nfs/dbraw/zinc/58/71/61/804587161.db2.gz KQARVKQFZGFIJL-UHFFFAOYSA-N 1 2 254.171 3.375 20 30 CGEDLO C=CC[N@H+](C)Cc1cccc(C)c1Br ZINC001141092190 804587166 /nfs/dbraw/zinc/58/71/66/804587166.db2.gz KQARVKQFZGFIJL-UHFFFAOYSA-N 1 2 254.171 3.375 20 30 CGEDLO CC[N@H+](Cc1cccnc1)Cc1ccc(F)cc1C#N ZINC001141166565 804603525 /nfs/dbraw/zinc/60/35/25/804603525.db2.gz WJBYHBUEAWNUOX-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1C#N ZINC001141166565 804603528 /nfs/dbraw/zinc/60/35/28/804603528.db2.gz WJBYHBUEAWNUOX-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO COc1cccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1F ZINC001141218354 804613059 /nfs/dbraw/zinc/61/30/59/804613059.db2.gz LJWKDWSHJBOGRB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1F ZINC001141218354 804613063 /nfs/dbraw/zinc/61/30/63/804613063.db2.gz LJWKDWSHJBOGRB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COC1C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141288014 804628727 /nfs/dbraw/zinc/62/87/27/804628727.db2.gz ZXFMUPZTNZCKBF-UHFFFAOYSA-N 1 2 294.354 3.181 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143413076 804850402 /nfs/dbraw/zinc/85/04/02/804850402.db2.gz MCAFHPALRDVQFS-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143413076 804850407 /nfs/dbraw/zinc/85/04/07/804850407.db2.gz MCAFHPALRDVQFS-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001143726112 804887818 /nfs/dbraw/zinc/88/78/18/804887818.db2.gz GWPIBGJXKOVCFT-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143726112 804887825 /nfs/dbraw/zinc/88/78/25/804887825.db2.gz GWPIBGJXKOVCFT-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(F)c1F ZINC001143914735 804905512 /nfs/dbraw/zinc/90/55/12/804905512.db2.gz FKIBLPODECTEJH-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CCSc3ccccc3C2)c1 ZINC001144084776 804935593 /nfs/dbraw/zinc/93/55/93/804935593.db2.gz MEHXXQKYWJEETG-UHFFFAOYSA-N 1 2 281.384 3.061 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001144084776 804935595 /nfs/dbraw/zinc/93/55/95/804935595.db2.gz MEHXXQKYWJEETG-UHFFFAOYSA-N 1 2 281.384 3.061 20 30 CGEDLO C[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCCCC2)C[C@H](C)O1 ZINC001257074488 807043719 /nfs/dbraw/zinc/04/37/19/807043719.db2.gz NYYRCFQTSQNJQT-BTTYYORXSA-N 1 2 250.386 3.149 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257078984 807044234 /nfs/dbraw/zinc/04/42/34/807044234.db2.gz WAFWMDFAPBIYLW-MUJYYYPQSA-N 1 2 299.455 3.436 20 30 CGEDLO C#Cc1cc(Nc2c(F)cc(OC(C)C)cc2F)cc[nH+]1 ZINC001249772060 805240387 /nfs/dbraw/zinc/24/03/87/805240387.db2.gz FJSYKRBHNFTOJQ-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO Cc1cc(C)n(CCNc2[nH+]ccc3ccc(C#N)cc32)n1 ZINC001154785792 805486981 /nfs/dbraw/zinc/48/69/81/805486981.db2.gz ZVEXQFCBRNNIOR-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO Cc1ccc(C)c(Nc2ccccc2OCC#N)[nH+]1 ZINC001212597553 815081951 /nfs/dbraw/zinc/08/19/51/815081951.db2.gz ZCHQKYUPYDZWPG-UHFFFAOYSA-N 1 2 253.305 3.344 20 30 CGEDLO C[Si](C)(C)c1ccc[nH+]c1N[C@H]1CC[C@H](C#N)CC1 ZINC001167842505 807261600 /nfs/dbraw/zinc/26/16/00/807261600.db2.gz LIIZXMKPKOVWFA-JOCQHMNTSA-N 1 2 273.456 3.121 20 30 CGEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c1 ZINC001212700056 815106254 /nfs/dbraw/zinc/10/62/54/815106254.db2.gz RAWQTAJKAYSHFF-UHFFFAOYSA-N 1 2 299.337 3.418 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCC=C(C)C)C(=O)OCC ZINC001258083629 807297710 /nfs/dbraw/zinc/29/77/10/807297710.db2.gz MGVVBKNQYALBQS-FMKPAKJESA-N 1 2 265.397 3.219 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001168384297 807399985 /nfs/dbraw/zinc/39/99/85/807399985.db2.gz YXGKKBRAIOKGAA-OAHLLOKOSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001168384297 807399989 /nfs/dbraw/zinc/39/99/89/807399989.db2.gz YXGKKBRAIOKGAA-OAHLLOKOSA-N 1 2 296.773 3.484 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001168482293 807432989 /nfs/dbraw/zinc/43/29/89/807432989.db2.gz WAMUSQJVDQKAKP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001168482293 807432994 /nfs/dbraw/zinc/43/29/94/807432994.db2.gz WAMUSQJVDQKAKP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001168482293 807432997 /nfs/dbraw/zinc/43/29/97/807432997.db2.gz WAMUSQJVDQKAKP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001168482293 807433001 /nfs/dbraw/zinc/43/30/01/807433001.db2.gz WAMUSQJVDQKAKP-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO CC(C)c1cc(CNc2cc(C3(C#N)CC3)cc[nH+]2)on1 ZINC001168827598 807521637 /nfs/dbraw/zinc/52/16/37/807521637.db2.gz OMFGONVOIXNVRJ-UHFFFAOYSA-N 1 2 282.347 3.360 20 30 CGEDLO SCc1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC001169009618 807552182 /nfs/dbraw/zinc/55/21/82/807552182.db2.gz UFKMDEDTJCXRDN-UHFFFAOYSA-N 1 2 283.400 3.419 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001258717596 807567556 /nfs/dbraw/zinc/56/75/56/807567556.db2.gz URXZBQHGLUCXIC-SWLSCSKDSA-N 1 2 295.810 3.368 20 30 CGEDLO CC(C)C1CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001258802910 807624003 /nfs/dbraw/zinc/62/40/03/807624003.db2.gz FSIJLHHKMCACLT-PESDSKBTSA-N 1 2 279.449 3.475 20 30 CGEDLO CC(C)C1CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001258802910 807624008 /nfs/dbraw/zinc/62/40/08/807624008.db2.gz FSIJLHHKMCACLT-PESDSKBTSA-N 1 2 279.449 3.475 20 30 CGEDLO COc1ccc(Nc2c[nH+]c(C)cc2C)c(C#N)c1 ZINC001212780767 815135032 /nfs/dbraw/zinc/13/50/32/815135032.db2.gz GGIBUWMHXNMDNQ-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C#C[C@@](C)(CC)Nc1cc(N2CCCC2)[nH+]c(SC)n1 ZINC001169691939 807688452 /nfs/dbraw/zinc/68/84/52/807688452.db2.gz ILGZAVPTCXNCOL-HNNXBMFYSA-N 1 2 290.436 3.013 20 30 CGEDLO N#CCc1ccc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001169743849 807701037 /nfs/dbraw/zinc/70/10/37/807701037.db2.gz OSLSKAXOGFFUNL-UHFFFAOYSA-N 1 2 266.348 3.176 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC001169946637 807727247 /nfs/dbraw/zinc/72/72/47/807727247.db2.gz JAQDXVCPJHAVJU-UHFFFAOYSA-N 1 2 296.374 3.011 20 30 CGEDLO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170079172 807749574 /nfs/dbraw/zinc/74/95/74/807749574.db2.gz YAGASDWVSQUQTG-OCCSQVGLSA-N 1 2 267.438 3.475 20 30 CGEDLO CC(C)CCC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170079172 807749577 /nfs/dbraw/zinc/74/95/77/807749577.db2.gz YAGASDWVSQUQTG-OCCSQVGLSA-N 1 2 267.438 3.475 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700904 807878402 /nfs/dbraw/zinc/87/84/02/807878402.db2.gz OJGUCIISVAXZRS-SMDDNHRTSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700904 807878408 /nfs/dbraw/zinc/87/84/08/807878408.db2.gz OJGUCIISVAXZRS-SMDDNHRTSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171117838 807991100 /nfs/dbraw/zinc/99/11/00/807991100.db2.gz ZMCVREFSUNUROZ-CABCVRRESA-N 1 2 260.768 3.185 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171117838 807991107 /nfs/dbraw/zinc/99/11/07/807991107.db2.gz ZMCVREFSUNUROZ-CABCVRRESA-N 1 2 260.768 3.185 20 30 CGEDLO N#CC1(c2cc[nH+]c(N[C@H]3COCc4ccccc43)c2)CC1 ZINC001171292049 808019095 /nfs/dbraw/zinc/01/90/95/808019095.db2.gz LTTYZTWDRZDZCV-INIZCTEOSA-N 1 2 291.354 3.320 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001171567902 808098749 /nfs/dbraw/zinc/09/87/49/808098749.db2.gz WPTSNHXPXMGFSL-DOTOQJQBSA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001171567902 808098756 /nfs/dbraw/zinc/09/87/56/808098756.db2.gz WPTSNHXPXMGFSL-DOTOQJQBSA-N 1 2 299.439 3.126 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001267240922 808393418 /nfs/dbraw/zinc/39/34/18/808393418.db2.gz DFMMHTBRFMDQPG-AWEZNQCLSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001267240922 808393421 /nfs/dbraw/zinc/39/34/21/808393421.db2.gz DFMMHTBRFMDQPG-AWEZNQCLSA-N 1 2 298.858 3.147 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)CC2 ZINC001172829151 808450176 /nfs/dbraw/zinc/45/01/76/808450176.db2.gz ATTNQKCFWVVIHT-IAGOWNOFSA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)CC2 ZINC001172829151 808450181 /nfs/dbraw/zinc/45/01/81/808450181.db2.gz ATTNQKCFWVVIHT-IAGOWNOFSA-N 1 2 299.439 3.126 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001267754174 808484493 /nfs/dbraw/zinc/48/44/93/808484493.db2.gz CBOUENIFEOMUHR-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001267754174 808484500 /nfs/dbraw/zinc/48/45/00/808484500.db2.gz CBOUENIFEOMUHR-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001267761173 808487030 /nfs/dbraw/zinc/48/70/30/808487030.db2.gz CGXXRIXPWNMKSZ-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001267761173 808487031 /nfs/dbraw/zinc/48/70/31/808487031.db2.gz CGXXRIXPWNMKSZ-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO N#CCC1CCC([NH2+]CC(F)(F)C(F)(F)F)CC1 ZINC001173325499 808612365 /nfs/dbraw/zinc/61/23/65/808612365.db2.gz JYYJUXXLXBXSMD-UHFFFAOYSA-N 1 2 270.245 3.246 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001269091935 808646805 /nfs/dbraw/zinc/64/68/05/808646805.db2.gz DCIIWBOQVLJFDK-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001269091935 808646807 /nfs/dbraw/zinc/64/68/07/808646807.db2.gz DCIIWBOQVLJFDK-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173607290 808652082 /nfs/dbraw/zinc/65/20/82/808652082.db2.gz OQYYUJWQELMARG-OGOZQZCJSA-N 1 2 292.423 3.170 20 30 CGEDLO C=CCCCC(=O)N[C@H](C)C[N@H+](C)CC=C(Cl)Cl ZINC001275630236 808952802 /nfs/dbraw/zinc/95/28/02/808952802.db2.gz RXTOYVQCKYWVTH-LLVKDONJSA-N 1 2 293.238 3.098 20 30 CGEDLO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)CC=C(Cl)Cl ZINC001275630236 808952805 /nfs/dbraw/zinc/95/28/05/808952805.db2.gz RXTOYVQCKYWVTH-LLVKDONJSA-N 1 2 293.238 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C=C1CCCCC1 ZINC001275783226 808965568 /nfs/dbraw/zinc/96/55/68/808965568.db2.gz TVINHOJEPZFCGJ-CYBMUJFWSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C=C1CCCCC1 ZINC001275783226 808965571 /nfs/dbraw/zinc/96/55/71/808965571.db2.gz TVINHOJEPZFCGJ-CYBMUJFWSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001279661545 809176928 /nfs/dbraw/zinc/17/69/28/809176928.db2.gz SMCCLBMOGMCCCN-JSGCOSHPSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001279661545 809176932 /nfs/dbraw/zinc/17/69/32/809176932.db2.gz SMCCLBMOGMCCCN-JSGCOSHPSA-N 1 2 298.858 3.169 20 30 CGEDLO CN(C)c1ccc(Nc2cc(F)c(F)cc2C#N)c[nH+]1 ZINC001175346285 809369208 /nfs/dbraw/zinc/36/92/08/809369208.db2.gz QJEKXPIXFLUFQG-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO N#CCc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175351341 809373169 /nfs/dbraw/zinc/37/31/69/809373169.db2.gz QXGVKFLDLNJXSB-UHFFFAOYSA-N 1 2 278.359 3.491 20 30 CGEDLO COc1cc(Nc2cc(F)cc(C#N)c2)cc(C)[nH+]1 ZINC001175683435 809502795 /nfs/dbraw/zinc/50/27/95/809502795.db2.gz ORHDAEHTSYUJJW-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(Cl)cc(C#N)c1 ZINC001176122837 809628724 /nfs/dbraw/zinc/62/87/24/809628724.db2.gz JSBASHBDYXOBBT-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO C#Cc1cc(Nc2ccc(Oc3ccccc3)nc2)cc[nH+]1 ZINC001176376630 809681627 /nfs/dbraw/zinc/68/16/27/809681627.db2.gz XMUSISIPOWDJEH-UHFFFAOYSA-N 1 2 287.322 3.416 20 30 CGEDLO Cc1cc(CNc2ccc(F)cc2OCC#N)cc(C)[nH+]1 ZINC001180723403 810020347 /nfs/dbraw/zinc/02/03/47/810020347.db2.gz GOJMITHNDUESAK-UHFFFAOYSA-N 1 2 285.322 3.352 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964570 810225906 /nfs/dbraw/zinc/22/59/06/810225906.db2.gz OLAALDOFHZGFDR-UHFFFAOYSA-N 1 2 293.374 3.339 20 30 CGEDLO N#Cc1ccccc1NC(=S)Nc1ccc2[nH+]ccn2c1 ZINC001196286737 811330999 /nfs/dbraw/zinc/33/09/99/811330999.db2.gz FFZCYYKGEDKHLA-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO CCc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1C#N ZINC001197274600 811409759 /nfs/dbraw/zinc/40/97/59/811409759.db2.gz HTKRCXWMOQCVTN-UHFFFAOYSA-N 1 2 290.326 3.021 20 30 CGEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)cc(C(F)(F)F)c1 ZINC001201285279 811806677 /nfs/dbraw/zinc/80/66/77/811806677.db2.gz FYBGXRHSNGNMPW-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO CC(C)c1ccc(Nc2ccc(N)[nH+]c2)c(C#N)c1 ZINC001201286203 811807021 /nfs/dbraw/zinc/80/70/21/811807021.db2.gz YUYRMTOPFOXJTC-UHFFFAOYSA-N 1 2 252.321 3.402 20 30 CGEDLO N#Cc1cc(Br)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201285406 811807849 /nfs/dbraw/zinc/80/78/49/811807849.db2.gz HMJZLZARUAMDGT-UHFFFAOYSA-N 1 2 289.136 3.042 20 30 CGEDLO CCCCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201804867 811966768 /nfs/dbraw/zinc/96/67/68/811966768.db2.gz VYXMDZQPAVBRLH-CYBMUJFWSA-N 1 2 263.372 3.439 20 30 CGEDLO CCCCCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201804867 811966775 /nfs/dbraw/zinc/96/67/75/811966775.db2.gz VYXMDZQPAVBRLH-CYBMUJFWSA-N 1 2 263.372 3.439 20 30 CGEDLO C[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1C#N ZINC001204372023 812623444 /nfs/dbraw/zinc/62/34/44/812623444.db2.gz VQYJNLLXLQPGCH-UHFFFAOYSA-N 1 2 278.355 3.263 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccccc1C#N ZINC001204372023 812623449 /nfs/dbraw/zinc/62/34/49/812623449.db2.gz VQYJNLLXLQPGCH-UHFFFAOYSA-N 1 2 278.355 3.263 20 30 CGEDLO Cc1[nH+]c[nH]c1CN(CCC#N)Cc1ccc(Cl)cc1 ZINC001204592196 812682513 /nfs/dbraw/zinc/68/25/13/812682513.db2.gz LBCDAIUUWKEAES-UHFFFAOYSA-N 1 2 288.782 3.287 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)OCC ZINC001207334833 813542997 /nfs/dbraw/zinc/54/29/97/813542997.db2.gz VJIYVDNJCBHKPJ-ZACQAIPSSA-N 1 2 287.403 3.278 20 30 CGEDLO CC1(C)C[C@@H](C[N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001207354473 813548884 /nfs/dbraw/zinc/54/88/84/813548884.db2.gz VFCJFQRMIBWNIY-HNNXBMFYSA-N 1 2 287.407 3.002 20 30 CGEDLO CC1(C)C[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC001207354473 813548891 /nfs/dbraw/zinc/54/88/91/813548891.db2.gz VFCJFQRMIBWNIY-HNNXBMFYSA-N 1 2 287.407 3.002 20 30 CGEDLO CC(C)(O)CCCC1=CC[C@H](C[NH+]2CC(C)(C#N)C2)CC1 ZINC001207401657 813558162 /nfs/dbraw/zinc/55/81/62/813558162.db2.gz HGXPBMGRTHNTKR-INIZCTEOSA-N 1 2 290.451 3.500 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161615 813717265 /nfs/dbraw/zinc/71/72/65/813717265.db2.gz OECNOWRKRWWNSX-IAQYHMDHSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161615 813717271 /nfs/dbraw/zinc/71/72/71/813717271.db2.gz OECNOWRKRWWNSX-IAQYHMDHSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@H]3SC(=O)C=C3C2)o1 ZINC001208161615 813717273 /nfs/dbraw/zinc/71/72/73/813717273.db2.gz OECNOWRKRWWNSX-IAQYHMDHSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3SC(=O)C=C3C2)o1 ZINC001208161615 813717278 /nfs/dbraw/zinc/71/72/78/813717278.db2.gz OECNOWRKRWWNSX-IAQYHMDHSA-N 1 2 291.416 3.356 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+](CC(=O)OCC)C2CC2)CC1 ZINC001208178626 813728548 /nfs/dbraw/zinc/72/85/48/813728548.db2.gz UUUXCGMADSFBQX-OAHLLOKOSA-N 1 2 277.408 3.317 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](CC(=O)OCC)C2CC2)CC1 ZINC001208178626 813728546 /nfs/dbraw/zinc/72/85/46/813728546.db2.gz UUUXCGMADSFBQX-OAHLLOKOSA-N 1 2 277.408 3.317 20 30 CGEDLO C=CCCC[N@@H+](CC(=O)OCC)Cc1ccsc1 ZINC001209162669 813953593 /nfs/dbraw/zinc/95/35/93/813953593.db2.gz KLAUBXFHOPYIBG-UHFFFAOYSA-N 1 2 267.394 3.079 20 30 CGEDLO C=CCCC[N@H+](CC(=O)OCC)Cc1ccsc1 ZINC001209162669 813953595 /nfs/dbraw/zinc/95/35/95/813953595.db2.gz KLAUBXFHOPYIBG-UHFFFAOYSA-N 1 2 267.394 3.079 20 30 CGEDLO Cc1cc(C#N)c(Nc2c[nH+]c(C)c(N)c2)cc1F ZINC001210293205 814389373 /nfs/dbraw/zinc/38/93/73/814389373.db2.gz GIDVGBSADUGDJB-UHFFFAOYSA-N 1 2 256.284 3.035 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(C)cc(C#N)c2)c[nH+]1 ZINC001210388525 814438126 /nfs/dbraw/zinc/43/81/26/814438126.db2.gz JISGLJRVJNFRHI-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO CSc1cc(Nc2ccc(O)c(C#N)c2)cc[nH+]1 ZINC001210530334 814511208 /nfs/dbraw/zinc/51/12/08/814511208.db2.gz DLSSJFQUEACCJJ-UHFFFAOYSA-N 1 2 257.318 3.124 20 30 CGEDLO COc1cc(Nc2c(F)cc(F)cc2C#N)cc(C)[nH+]1 ZINC001210780096 814625386 /nfs/dbraw/zinc/62/53/86/814625386.db2.gz AKPNXDQWUDBEGS-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO COc1cc(Nc2cc(F)ccc2C#N)cc(C)[nH+]1 ZINC001210781618 814628161 /nfs/dbraw/zinc/62/81/61/814628161.db2.gz XXNUXIAFYLTORU-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO CC#Cc1cncc(Nc2[nH+]c3ccccc3n2C)c1 ZINC001211053790 814723849 /nfs/dbraw/zinc/72/38/49/814723849.db2.gz CJFUPDDJFZBHMC-UHFFFAOYSA-N 1 2 262.316 3.083 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C)c(C#N)c1 ZINC001216072101 815679885 /nfs/dbraw/zinc/67/98/85/815679885.db2.gz FCUMWKDXUCGEGU-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO C#Cc1cc(Nc2cccc(C(F)(F)F)c2OC)cc[nH+]1 ZINC001216632987 815882632 /nfs/dbraw/zinc/88/26/32/815882632.db2.gz GUIDBDBKGPFTBG-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO C=C(C)c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218006782 816049694 /nfs/dbraw/zinc/04/96/94/816049694.db2.gz NGDRDSUOLYZUAS-CYBMUJFWSA-N 1 2 253.292 3.096 20 30 CGEDLO C=C(C)c1cccc(NC(=O)NCc2ccc[nH+]c2N)c1 ZINC001220337196 816290067 /nfs/dbraw/zinc/29/00/67/816290067.db2.gz LJHYKHIFNHJHIW-UHFFFAOYSA-N 1 2 282.347 3.019 20 30 CGEDLO Cc1cc[nH+]c(C)c1O[C@@H](C#N)c1ccccc1F ZINC001227262748 817612332 /nfs/dbraw/zinc/61/23/32/817612332.db2.gz VXORBUVHCZCJGJ-AWEZNQCLSA-N 1 2 256.280 3.481 20 30 CGEDLO Cc1nnc(C[NH+]2CCC(C#Cc3ccccc3)CC2)s1 ZINC001232246452 818292504 /nfs/dbraw/zinc/29/25/04/818292504.db2.gz JQMUYBGPRCDKCJ-UHFFFAOYSA-N 1 2 297.427 3.110 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001232679102 818417287 /nfs/dbraw/zinc/41/72/87/818417287.db2.gz CJUHGKRHKPIJHL-KRWDZBQOSA-N 1 2 292.382 3.328 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001232679102 818417290 /nfs/dbraw/zinc/41/72/90/818417290.db2.gz CJUHGKRHKPIJHL-KRWDZBQOSA-N 1 2 292.382 3.328 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(C(=O)OC)c(F)c1 ZINC001232705321 818422065 /nfs/dbraw/zinc/42/20/65/818422065.db2.gz VURBNOPDJAJHSZ-UHFFFAOYSA-N 1 2 292.354 3.128 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(C(=O)OC)c(F)c1 ZINC001232705321 818422069 /nfs/dbraw/zinc/42/20/69/818422069.db2.gz VURBNOPDJAJHSZ-UHFFFAOYSA-N 1 2 292.354 3.128 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001232844629 818454946 /nfs/dbraw/zinc/45/49/46/818454946.db2.gz XUXCXRFLSVZYAS-UHFFFAOYSA-N 1 2 279.368 3.050 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001232844629 818454949 /nfs/dbraw/zinc/45/49/49/818454949.db2.gz XUXCXRFLSVZYAS-UHFFFAOYSA-N 1 2 279.368 3.050 20 30 CGEDLO C[C@H]1C[N@H+](Cc2[nH]ccc2C#N)Cc2ccccc21 ZINC001233046610 818508036 /nfs/dbraw/zinc/50/80/36/818508036.db2.gz ZVJHIHPOJDZPKU-LBPRGKRZSA-N 1 2 251.333 3.006 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2[nH]ccc2C#N)Cc2ccccc21 ZINC001233046610 818508043 /nfs/dbraw/zinc/50/80/43/818508043.db2.gz ZVJHIHPOJDZPKU-LBPRGKRZSA-N 1 2 251.333 3.006 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001233080383 818518461 /nfs/dbraw/zinc/51/84/61/818518461.db2.gz MMQBHJSGPOACGA-CYBMUJFWSA-N 1 2 268.282 3.046 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001233080383 818518469 /nfs/dbraw/zinc/51/84/69/818518469.db2.gz MMQBHJSGPOACGA-CYBMUJFWSA-N 1 2 268.282 3.046 20 30 CGEDLO CCOc1ncc(Cl)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001233172295 818534910 /nfs/dbraw/zinc/53/49/10/818534910.db2.gz PPANSXHCYDBGIP-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1ncc(Cl)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001233172295 818534918 /nfs/dbraw/zinc/53/49/18/818534918.db2.gz PPANSXHCYDBGIP-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOC(=[NH2+])c1ccc(O[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001234584224 818886354 /nfs/dbraw/zinc/88/63/54/818886354.db2.gz BDCPMGIAPHGNAL-BXUZGUMPSA-N 1 2 258.321 3.120 20 30 CGEDLO N#CCc1ccccc1C[N@H+]1Cc2ccc(F)cc2C1 ZINC001235524065 819113971 /nfs/dbraw/zinc/11/39/71/819113971.db2.gz YPWQYZBUJNGWAU-UHFFFAOYSA-N 1 2 266.319 3.408 20 30 CGEDLO N#CCc1ccccc1C[N@@H+]1Cc2ccc(F)cc2C1 ZINC001235524065 819113974 /nfs/dbraw/zinc/11/39/74/819113974.db2.gz YPWQYZBUJNGWAU-UHFFFAOYSA-N 1 2 266.319 3.408 20 30 CGEDLO COc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001235707785 819147360 /nfs/dbraw/zinc/14/73/60/819147360.db2.gz QATAGRSZTVFROT-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Cl ZINC001235707785 819147365 /nfs/dbraw/zinc/14/73/65/819147365.db2.gz QATAGRSZTVFROT-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO Cc1cc(Br)cc(C)c1C[N@H+](C)CCC#N ZINC001235783056 819167890 /nfs/dbraw/zinc/16/78/90/819167890.db2.gz YKZBZLNXFDNKJU-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO Cc1cc(Br)cc(C)c1C[N@@H+](C)CCC#N ZINC001235783056 819167891 /nfs/dbraw/zinc/16/78/91/819167891.db2.gz YKZBZLNXFDNKJU-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO N#Cc1c(F)cc(OC2CCC2)cc1-c1ccc[nH+]c1N ZINC001243473680 823414786 /nfs/dbraw/zinc/41/47/86/823414786.db2.gz OBSBUSWGTVHWIN-UHFFFAOYSA-N 1 2 283.306 3.273 20 30 CGEDLO C[N@H+](CCC#N)Cc1cc(OCc2ccccc2)ccc1O ZINC001236792069 819595908 /nfs/dbraw/zinc/59/59/08/819595908.db2.gz JFPUYYULOKDQBZ-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cc(OCc2ccccc2)ccc1O ZINC001236792069 819595914 /nfs/dbraw/zinc/59/59/14/819595914.db2.gz JFPUYYULOKDQBZ-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(-c2ccccc2)o1 ZINC001237373816 819736322 /nfs/dbraw/zinc/73/63/22/819736322.db2.gz OKQXIMIJXAKNRT-UHFFFAOYSA-N 1 2 269.348 3.467 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)o1 ZINC001237373816 819736326 /nfs/dbraw/zinc/73/63/26/819736326.db2.gz OKQXIMIJXAKNRT-UHFFFAOYSA-N 1 2 269.348 3.467 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1cnccc1Br ZINC001237393307 819741742 /nfs/dbraw/zinc/74/17/42/819741742.db2.gz PUNWIADWZBRWFJ-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1cnccc1Br ZINC001237393307 819741743 /nfs/dbraw/zinc/74/17/43/819741743.db2.gz PUNWIADWZBRWFJ-UHFFFAOYSA-N 1 2 269.186 3.242 20 30 CGEDLO CC1(F)CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237523531 819770900 /nfs/dbraw/zinc/77/09/00/819770900.db2.gz AHCBGFLVTZFASW-UHFFFAOYSA-N 1 2 268.282 3.160 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@H](C#N)C2)ccc1C ZINC001238070276 819925110 /nfs/dbraw/zinc/92/51/10/819925110.db2.gz IDKYHIXSSPDEFM-OAHLLOKOSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@H](C#N)C2)ccc1C ZINC001238070276 819925116 /nfs/dbraw/zinc/92/51/16/819925116.db2.gz IDKYHIXSSPDEFM-OAHLLOKOSA-N 1 2 258.365 3.129 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(F)cc(Br)c1F ZINC001238078604 819927118 /nfs/dbraw/zinc/92/71/18/819927118.db2.gz IISHLTQDFHSYPX-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(F)cc(Br)c1F ZINC001238078604 819927130 /nfs/dbraw/zinc/92/71/30/819927130.db2.gz IISHLTQDFHSYPX-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO CCOc1ccc(C[NH+]2CCC(C#N)CC2)c(Cl)c1 ZINC001238398349 819986288 /nfs/dbraw/zinc/98/62/88/819986288.db2.gz UTTLETNNQHVEBJ-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO N#Cc1ncc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc1F ZINC001238996648 820187561 /nfs/dbraw/zinc/18/75/61/820187561.db2.gz YDXHPVUUPMSSEX-UHFFFAOYSA-N 1 2 282.253 3.084 20 30 CGEDLO Cc1ccc(C#N)nc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656962 823476268 /nfs/dbraw/zinc/47/62/68/823476268.db2.gz PEWCBLZUNWOXNE-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO Cc1c(-c2cc(F)c(C#N)c(F)c2)ccc2[nH+]ccn21 ZINC001239931530 820710560 /nfs/dbraw/zinc/71/05/60/820710560.db2.gz LXQAPDDVOSJQNZ-UHFFFAOYSA-N 1 2 269.254 3.460 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(C#N)c(F)c1 ZINC001240155158 820863463 /nfs/dbraw/zinc/86/34/63/820863463.db2.gz WTVMXYQPOMLZFI-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CN(C)C=[NH+]c1ccc(-c2cnc3[nH]ccc3c2)cc1C#N ZINC001240393646 821018399 /nfs/dbraw/zinc/01/83/99/821018399.db2.gz WVXPROQBXPEZGH-SRZZPIQSSA-N 1 2 289.342 3.275 20 30 CGEDLO N#Cc1cc2c(nc1-c1ccn3cc[nH+]c3c1)CCCC2 ZINC001240504731 821101338 /nfs/dbraw/zinc/10/13/38/821101338.db2.gz WPCJJYBGRGJNOU-UHFFFAOYSA-N 1 2 274.327 3.147 20 30 CGEDLO N#CCOc1cc(F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001240508574 821103742 /nfs/dbraw/zinc/10/37/42/821103742.db2.gz CXUNROGUNDARGL-UHFFFAOYSA-N 1 2 267.263 3.043 20 30 CGEDLO N#Cc1ccc(OC(F)F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240511296 821107202 /nfs/dbraw/zinc/10/72/02/821107202.db2.gz DCTLUZUNHPLJET-UHFFFAOYSA-N 1 2 285.253 3.474 20 30 CGEDLO N#Cc1c(F)ccc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240513679 821109886 /nfs/dbraw/zinc/10/98/86/821109886.db2.gz ZEFDCDYHPLMJMI-UHFFFAOYSA-N 1 2 255.227 3.151 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccccc2N)cc1C#N ZINC001241073177 821541744 /nfs/dbraw/zinc/54/17/44/821541744.db2.gz UMTJDILEPBYCQS-YBFXNURJSA-N 1 2 264.332 3.029 20 30 CGEDLO COc1cc(-c2cc(C)[nH+]c(C)c2)ccc1CC#N ZINC001241991975 822260662 /nfs/dbraw/zinc/26/06/62/822260662.db2.gz ADIDWXYQYJXZOY-UHFFFAOYSA-N 1 2 252.317 3.440 20 30 CGEDLO Cc1ccc(C#N)cc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001242541195 823024860 /nfs/dbraw/zinc/02/48/60/823024860.db2.gz XZCFIUXAJSBIAA-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccccc1 ZINC001346401202 936847978 /nfs/dbraw/zinc/84/79/78/936847978.db2.gz LJBGEDUYOXIFKT-KHPPLWFESA-N 1 2 252.317 3.044 20 30 CGEDLO C=CCC1(C(=O)OCCCc2c[nH+]cn2C)CCCC1 ZINC001348638106 936928905 /nfs/dbraw/zinc/92/89/05/936928905.db2.gz PSOZLIAADZDEGF-UHFFFAOYSA-N 1 2 276.380 3.032 20 30 CGEDLO CC(C)Oc1cc(NCCc2ccc(C#N)cc2)cc[nH+]1 ZINC001167678913 926828706 /nfs/dbraw/zinc/82/87/06/926828706.db2.gz FKHJMPGQKBREKK-UHFFFAOYSA-N 1 2 281.359 3.395 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)C1CCCC1 ZINC001481011151 926857533 /nfs/dbraw/zinc/85/75/33/926857533.db2.gz RRBHVHJTEQXWFD-CYBMUJFWSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)C1CCCC1 ZINC001481011151 926857544 /nfs/dbraw/zinc/85/75/44/926857544.db2.gz RRBHVHJTEQXWFD-CYBMUJFWSA-N 1 2 286.847 3.003 20 30 CGEDLO N#CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426002529 927111791 /nfs/dbraw/zinc/11/17/91/927111791.db2.gz GBZXOOVZAVNOTE-UHFFFAOYSA-N 1 2 262.259 3.228 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001483881663 927640147 /nfs/dbraw/zinc/64/01/47/927640147.db2.gz OGPKROPHGXTIRU-INIZCTEOSA-N 1 2 292.467 3.312 20 30 CGEDLO COc1cc[nH+]cc1NC(C)(C)c1ccc(C#N)cc1 ZINC001165752960 931996002 /nfs/dbraw/zinc/99/60/02/931996002.db2.gz OYCRCQLWZJWORC-UHFFFAOYSA-N 1 2 267.332 3.309 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1cc(F)cc(C#N)c1 ZINC001241658266 932699905 /nfs/dbraw/zinc/69/99/05/932699905.db2.gz HNFHJWOXILYXPH-UHFFFAOYSA-N 1 2 267.263 3.249 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](CC)C(=O)OCC ZINC001307423275 932949320 /nfs/dbraw/zinc/94/93/20/932949320.db2.gz GZEXIBAPWOXUAN-MRXNPFEDSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](CC)C(=O)OCC ZINC001307423275 932949326 /nfs/dbraw/zinc/94/93/26/932949326.db2.gz GZEXIBAPWOXUAN-MRXNPFEDSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CCC1(O)C[NH+](C/C=C\c2cc(C)c(C)cc2C)C1 ZINC001462659015 937657264 /nfs/dbraw/zinc/65/72/64/937657264.db2.gz CKAVLEBAEFICAO-SREVYHEPSA-N 1 2 271.404 3.248 20 30 CGEDLO Cc1cc(C[NH2+][C@H](C)CC#N)c(OC(F)F)cc1C ZINC001308506215 933121644 /nfs/dbraw/zinc/12/16/44/933121644.db2.gz SPPQVLFJOPWJPQ-LLVKDONJSA-N 1 2 268.307 3.297 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC001308962870 933214772 /nfs/dbraw/zinc/21/47/72/933214772.db2.gz FPJKZFBOZGLCKX-UHFFFAOYSA-N 1 2 278.602 3.229 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC001308962870 933214779 /nfs/dbraw/zinc/21/47/79/933214779.db2.gz FPJKZFBOZGLCKX-UHFFFAOYSA-N 1 2 278.602 3.229 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CC(C)(C)C ZINC001317168546 933544137 /nfs/dbraw/zinc/54/41/37/933544137.db2.gz VKXXTWMEPAYKPY-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC(C)(C)C ZINC001317168546 933544145 /nfs/dbraw/zinc/54/41/45/933544145.db2.gz VKXXTWMEPAYKPY-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCO[C@@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001320321185 934029723 /nfs/dbraw/zinc/02/97/23/934029723.db2.gz XMXHBXWUWKEAHV-CQSZACIVSA-N 1 2 268.360 3.325 20 30 CGEDLO C=CC[C@H]([NH2+]C1CC(c2ccccc2)C1)C(=O)OCC ZINC001321148258 934156771 /nfs/dbraw/zinc/15/67/71/934156771.db2.gz JUECKOCOCSITAR-GPANFISMSA-N 1 2 273.376 3.030 20 30 CGEDLO C#CC[N@@H+](Cc1cscc1Br)CC1CC1 ZINC001323939773 934441300 /nfs/dbraw/zinc/44/13/00/934441300.db2.gz CNQJBXWHASVVFJ-UHFFFAOYSA-N 1 2 284.222 3.356 20 30 CGEDLO C#CC[N@H+](Cc1cscc1Br)CC1CC1 ZINC001323939773 934441305 /nfs/dbraw/zinc/44/13/05/934441305.db2.gz CNQJBXWHASVVFJ-UHFFFAOYSA-N 1 2 284.222 3.356 20 30 CGEDLO C=CCC1(C(=O)N(C)C2C[NH+](CC=C(C)C)C2)CCCC1 ZINC001324028967 934450897 /nfs/dbraw/zinc/45/08/97/934450897.db2.gz DUZXICCZKHNRGA-UHFFFAOYSA-N 1 2 290.451 3.232 20 30 CGEDLO Cc1c[nH+]c(CCNc2c(C#N)cccc2C#N)c(C)c1 ZINC001472819102 937785507 /nfs/dbraw/zinc/78/55/07/937785507.db2.gz MYAHMUVTKHOJOV-UHFFFAOYSA-N 1 2 276.343 3.096 20 30 CGEDLO CCCCCCC[NH2+][C@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC001473392803 937804526 /nfs/dbraw/zinc/80/45/26/937804526.db2.gz LMVQZKWEKNAKED-YOEHRIQHSA-N 1 2 299.455 3.293 20 30 CGEDLO C[C@H](CCC#N)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC001331336667 935370899 /nfs/dbraw/zinc/37/08/99/935370899.db2.gz ZDMAGZDDCPIAAL-CHWSQXEVSA-N 1 2 284.363 3.003 20 30 CGEDLO Cc1[nH]c(/C=C2/C(=O)c3c(c(C)ccc3O)[C@H]2C)[nH+]c1C ZINC001331949557 935425305 /nfs/dbraw/zinc/42/53/05/935425305.db2.gz VLYHBQIKLQAFKE-SZUMLMDFSA-N 1 2 282.343 3.424 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@@H](C)CCC)C(C)C ZINC001332693007 935481941 /nfs/dbraw/zinc/48/19/41/935481941.db2.gz IVIBFRGMTISQLB-ZDUSSCGKSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@@H](C)CCC)C(C)C ZINC001332693007 935481944 /nfs/dbraw/zinc/48/19/44/935481944.db2.gz IVIBFRGMTISQLB-ZDUSSCGKSA-N 1 2 288.863 3.344 20 30 CGEDLO CC1(C)CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1C#N ZINC001334886962 936120779 /nfs/dbraw/zinc/12/07/79/936120779.db2.gz HBMBNMSSYBPRGB-NRXISQOPSA-N 1 2 259.397 3.331 20 30 CGEDLO CC1(C)CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1C#N ZINC001334886962 936120782 /nfs/dbraw/zinc/12/07/82/936120782.db2.gz HBMBNMSSYBPRGB-NRXISQOPSA-N 1 2 259.397 3.331 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC001335527063 936150710 /nfs/dbraw/zinc/15/07/10/936150710.db2.gz HNYBKYMJIMSOHR-HNNXBMFYSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC001335527063 936150712 /nfs/dbraw/zinc/15/07/12/936150712.db2.gz HNYBKYMJIMSOHR-HNNXBMFYSA-N 1 2 286.404 3.080 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC001337647904 936276506 /nfs/dbraw/zinc/27/65/06/936276506.db2.gz BQUBSLDFSZVYEI-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC001337647904 936276509 /nfs/dbraw/zinc/27/65/09/936276509.db2.gz BQUBSLDFSZVYEI-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCOc1ccc(C[NH2+]Cc2ccon2)cc1Cl ZINC001474032209 937836655 /nfs/dbraw/zinc/83/66/55/937836655.db2.gz DCPGALDZKBRPJX-UHFFFAOYSA-N 1 2 278.739 3.183 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(=O)OC ZINC001474668402 937873995 /nfs/dbraw/zinc/87/39/95/937873995.db2.gz QZXXBKQWUIWFRM-OFLPRAFFSA-N 1 2 287.403 3.338 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001493109983 937947325 /nfs/dbraw/zinc/94/73/25/937947325.db2.gz FQNIXBVDRIAWCU-CHWSQXEVSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001493109983 937947327 /nfs/dbraw/zinc/94/73/27/937947327.db2.gz FQNIXBVDRIAWCU-CHWSQXEVSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001494722764 937955527 /nfs/dbraw/zinc/95/55/27/937955527.db2.gz LMOITPUWOGKVPB-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001494722764 937955528 /nfs/dbraw/zinc/95/55/28/937955528.db2.gz LMOITPUWOGKVPB-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001494814573 937956354 /nfs/dbraw/zinc/95/63/54/937956354.db2.gz VHHHSVYFMDXANQ-AWEZNQCLSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001494814573 937956355 /nfs/dbraw/zinc/95/63/55/937956355.db2.gz VHHHSVYFMDXANQ-AWEZNQCLSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001506013057 937988722 /nfs/dbraw/zinc/98/87/22/937988722.db2.gz RNPQIXDUVZDZEH-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001506013057 937988723 /nfs/dbraw/zinc/98/87/23/937988723.db2.gz RNPQIXDUVZDZEH-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H](C)C#N ZINC001560024639 938241887 /nfs/dbraw/zinc/24/18/87/938241887.db2.gz OQCIMIJGLUTGIF-AWEZNQCLSA-N 1 2 297.443 3.305 20 30 CGEDLO CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H](C)C#N ZINC001560024639 938241888 /nfs/dbraw/zinc/24/18/88/938241888.db2.gz OQCIMIJGLUTGIF-AWEZNQCLSA-N 1 2 297.443 3.305 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)c(F)c1 ZINC001560489537 938260186 /nfs/dbraw/zinc/26/01/86/938260186.db2.gz SCNVNTJIELYPOW-UHFFFAOYSA-N 1 2 293.704 3.175 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(=O)OCC ZINC001560967807 938287192 /nfs/dbraw/zinc/28/71/92/938287192.db2.gz PSUCFFGLUXDZRN-FQUUOJAGSA-N 1 2 285.815 3.229 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC001342848194 957713708 /nfs/dbraw/zinc/71/37/08/957713708.db2.gz OJOSBNLWJOYBPS-UHFFFAOYSA-N 1 2 274.412 3.370 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC001342848194 957713717 /nfs/dbraw/zinc/71/37/17/957713717.db2.gz OJOSBNLWJOYBPS-UHFFFAOYSA-N 1 2 274.412 3.370 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001566101422 960879771 /nfs/dbraw/zinc/87/97/71/960879771.db2.gz HEKGRPZXLDIPRQ-OLZOCXBDSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001566101422 960879782 /nfs/dbraw/zinc/87/97/82/960879782.db2.gz HEKGRPZXLDIPRQ-OLZOCXBDSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001567305857 961274336 /nfs/dbraw/zinc/27/43/36/961274336.db2.gz QLDSCVWLQFNPEY-FICVDOATSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001567305857 961274349 /nfs/dbraw/zinc/27/43/49/961274349.db2.gz QLDSCVWLQFNPEY-FICVDOATSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(C)CCC(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001567794719 961435736 /nfs/dbraw/zinc/43/57/36/961435736.db2.gz GLRUVLPRWUYBCC-UHFFFAOYSA-N 1 2 298.430 3.221 20 30 CGEDLO CCc1noc(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000119095357 370644704 /nfs/dbraw/zinc/64/47/04/370644704.db2.gz NWTBTBKUUGJJCC-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO CCc1noc(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000119095357 370644707 /nfs/dbraw/zinc/64/47/07/370644707.db2.gz NWTBTBKUUGJJCC-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cccc(C#N)c2C)c(C)[nH+]1 ZINC000337883759 214298882 /nfs/dbraw/zinc/29/88/82/214298882.db2.gz BTARRBOSSBWJHF-UHFFFAOYSA-N 1 2 279.343 3.439 20 30 CGEDLO N#Cc1c(Cl)cccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590688623 346863927 /nfs/dbraw/zinc/86/39/27/346863927.db2.gz YPRVQFYXIJWVNT-LBPRGKRZSA-N 1 2 286.766 3.250 20 30 CGEDLO CC[C@@H](F)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000440524916 529552473 /nfs/dbraw/zinc/55/24/73/529552473.db2.gz LHGZMKVSIJKSFY-CYBMUJFWSA-N 1 2 295.789 3.082 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC000591377361 346918018 /nfs/dbraw/zinc/91/80/18/346918018.db2.gz SUXMSUDVVYKMMF-CFVMTHIKSA-N 1 2 293.794 3.293 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccncc1C#N ZINC000592058142 346957985 /nfs/dbraw/zinc/95/79/85/346957985.db2.gz AZBATYAPUOXAQR-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592058142 346957987 /nfs/dbraw/zinc/95/79/87/346957987.db2.gz AZBATYAPUOXAQR-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000592071664 346960542 /nfs/dbraw/zinc/96/05/42/346960542.db2.gz NXJMUUCEAAIPGB-CXAGYDPISA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000592071664 346960547 /nfs/dbraw/zinc/96/05/47/346960547.db2.gz NXJMUUCEAAIPGB-CXAGYDPISA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000593047019 347031972 /nfs/dbraw/zinc/03/19/72/347031972.db2.gz VRDCCPNSECVOEP-WMLDXEAASA-N 1 2 285.366 3.233 20 30 CGEDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000593047019 347031973 /nfs/dbraw/zinc/03/19/73/347031973.db2.gz VRDCCPNSECVOEP-WMLDXEAASA-N 1 2 285.366 3.233 20 30 CGEDLO CCc1cc[nH+]cc1NCc1ccc(OC)c(C#N)c1 ZINC000593222382 347053252 /nfs/dbraw/zinc/05/32/52/347053252.db2.gz ILNYAVGFKTVLNC-UHFFFAOYSA-N 1 2 267.332 3.136 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000593393365 347070497 /nfs/dbraw/zinc/07/04/97/347070497.db2.gz BSLWXIMPMMTINW-JTQLQIEISA-N 1 2 284.363 3.349 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3cccc(CC#N)c3)cc2[nH+]1 ZINC000045056476 345019539 /nfs/dbraw/zinc/01/95/39/345019539.db2.gz JOTGPZZVRSJSRJ-UHFFFAOYSA-N 1 2 290.326 3.190 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3cccc(CC#N)c3)ccc2[nH+]1 ZINC000045056476 345019541 /nfs/dbraw/zinc/01/95/41/345019541.db2.gz JOTGPZZVRSJSRJ-UHFFFAOYSA-N 1 2 290.326 3.190 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052073669 345097642 /nfs/dbraw/zinc/09/76/42/345097642.db2.gz DMXDWKSAWLJKGT-CQSZACIVSA-N 1 2 292.398 3.243 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052073669 345097644 /nfs/dbraw/zinc/09/76/44/345097644.db2.gz DMXDWKSAWLJKGT-CQSZACIVSA-N 1 2 292.398 3.243 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1SC ZINC000068813919 345365201 /nfs/dbraw/zinc/36/52/01/345365201.db2.gz XKHGVEBWDSNQRB-LLVKDONJSA-N 1 2 264.394 3.009 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1SC ZINC000068813919 345365204 /nfs/dbraw/zinc/36/52/04/345365204.db2.gz XKHGVEBWDSNQRB-LLVKDONJSA-N 1 2 264.394 3.009 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000076154052 345536632 /nfs/dbraw/zinc/53/66/32/345536632.db2.gz XAYCKQDSXPZMPU-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000076154052 345536634 /nfs/dbraw/zinc/53/66/34/345536634.db2.gz XAYCKQDSXPZMPU-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO CC[N@@H+](CCC#N)CCSc1ccccc1F ZINC000081513991 345711424 /nfs/dbraw/zinc/71/14/24/345711424.db2.gz YVVCZPUVHTVJAA-UHFFFAOYSA-N 1 2 252.358 3.153 20 30 CGEDLO CC[N@H+](CCC#N)CCSc1ccccc1F ZINC000081513991 345711427 /nfs/dbraw/zinc/71/14/27/345711427.db2.gz YVVCZPUVHTVJAA-UHFFFAOYSA-N 1 2 252.358 3.153 20 30 CGEDLO Cc1cccn2cc(CNc3c(F)cc(C#N)cc3F)[nH+]c12 ZINC000091628278 345819098 /nfs/dbraw/zinc/81/90/98/345819098.db2.gz MUUYESBUNVBTIB-UHFFFAOYSA-N 1 2 298.296 3.405 20 30 CGEDLO C=CCCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918667 345862891 /nfs/dbraw/zinc/86/28/91/345862891.db2.gz MLENCPJVWFJTHG-UHFFFAOYSA-N 1 2 255.243 3.416 20 30 CGEDLO N#Cc1c(C[N@@H+]2CCc3sccc3C2)cn2ccccc12 ZINC000141330894 346108220 /nfs/dbraw/zinc/10/82/20/346108220.db2.gz NHTUETNZUCWTBX-UHFFFAOYSA-N 1 2 293.395 3.431 20 30 CGEDLO N#Cc1c(C[N@H+]2CCc3sccc3C2)cn2ccccc12 ZINC000141330894 346108223 /nfs/dbraw/zinc/10/82/23/346108223.db2.gz NHTUETNZUCWTBX-UHFFFAOYSA-N 1 2 293.395 3.431 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098071991 185683012 /nfs/dbraw/zinc/68/30/12/185683012.db2.gz ADAUPDPLTPNMIN-UHFFFAOYSA-N 1 2 298.308 3.318 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1oc(C)nc1C ZINC000589255159 346791390 /nfs/dbraw/zinc/79/13/90/346791390.db2.gz LZZANUSOXJAKEY-UHFFFAOYSA-N 1 2 263.385 3.443 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1oc(C)nc1C ZINC000589255159 346791392 /nfs/dbraw/zinc/79/13/92/346791392.db2.gz LZZANUSOXJAKEY-UHFFFAOYSA-N 1 2 263.385 3.443 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000589496914 346799054 /nfs/dbraw/zinc/79/90/54/346799054.db2.gz YCSMAVBTCQTIJB-AWEZNQCLSA-N 1 2 285.372 3.057 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000589496914 346799056 /nfs/dbraw/zinc/79/90/56/346799056.db2.gz YCSMAVBTCQTIJB-AWEZNQCLSA-N 1 2 285.372 3.057 20 30 CGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000589510440 346799147 /nfs/dbraw/zinc/79/91/47/346799147.db2.gz FBQDHQKZEUJVSS-BDAKNGLRSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nc(C#N)cs1 ZINC000589510440 346799148 /nfs/dbraw/zinc/79/91/48/346799148.db2.gz FBQDHQKZEUJVSS-BDAKNGLRSA-N 1 2 289.326 3.178 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccc(OC)cc2)n1 ZINC000594011760 347136415 /nfs/dbraw/zinc/13/64/15/347136415.db2.gz PWKFWZCPENSACP-CYBMUJFWSA-N 1 2 285.347 3.132 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1F ZINC000594017787 347138165 /nfs/dbraw/zinc/13/81/65/347138165.db2.gz NVTMDRGPCGUCIR-MRXNPFEDSA-N 1 2 269.323 3.333 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)nc1 ZINC000593969266 347126218 /nfs/dbraw/zinc/12/62/18/347126218.db2.gz ZXDMXYZSBJTHRJ-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)nc1 ZINC000593969266 347126221 /nfs/dbraw/zinc/12/62/21/347126221.db2.gz ZXDMXYZSBJTHRJ-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO COc1cc(C)[nH+]c(CN2CCCc3cc(C#N)ccc32)c1 ZINC000593997230 347133315 /nfs/dbraw/zinc/13/33/15/347133315.db2.gz SCCOJPHWRWSEGF-UHFFFAOYSA-N 1 2 293.370 3.223 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000594599568 347199481 /nfs/dbraw/zinc/19/94/81/347199481.db2.gz BAUWIOZQXFOABH-LBPRGKRZSA-N 1 2 286.354 3.054 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000594599568 347199484 /nfs/dbraw/zinc/19/94/84/347199484.db2.gz BAUWIOZQXFOABH-LBPRGKRZSA-N 1 2 286.354 3.054 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000594710463 347212066 /nfs/dbraw/zinc/21/20/66/347212066.db2.gz LQXUEXPABBPSKZ-KGLIPLIRSA-N 1 2 281.783 3.498 20 30 CGEDLO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)co1 ZINC000595409619 347299546 /nfs/dbraw/zinc/29/95/46/347299546.db2.gz YKNDGKAZSCQRRZ-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)co1 ZINC000595409619 347299549 /nfs/dbraw/zinc/29/95/49/347299549.db2.gz YKNDGKAZSCQRRZ-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCCC#N ZINC000595759799 347352785 /nfs/dbraw/zinc/35/27/85/347352785.db2.gz OCTSKDKJEKYTFV-HNNXBMFYSA-N 1 2 276.355 3.281 20 30 CGEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCCC#N ZINC000595759799 347352786 /nfs/dbraw/zinc/35/27/86/347352786.db2.gz OCTSKDKJEKYTFV-HNNXBMFYSA-N 1 2 276.355 3.281 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(F)c1C#N)C2 ZINC000595760241 347352891 /nfs/dbraw/zinc/35/28/91/347352891.db2.gz SCJZZPYPJQLTTG-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1cccc(F)c1C#N)C2 ZINC000595760241 347352893 /nfs/dbraw/zinc/35/28/93/347352893.db2.gz SCJZZPYPJQLTTG-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000595529533 347315988 /nfs/dbraw/zinc/31/59/88/347315988.db2.gz JPTMCLLKDQTIDB-LLVKDONJSA-N 1 2 272.270 3.209 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807814 347357513 /nfs/dbraw/zinc/35/75/13/347357513.db2.gz AUPLIHANRWSNCH-GWCFXTLKSA-N 1 2 291.192 3.163 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807814 347357515 /nfs/dbraw/zinc/35/75/15/347357515.db2.gz AUPLIHANRWSNCH-GWCFXTLKSA-N 1 2 291.192 3.163 20 30 CGEDLO CC[N@H+](CCCOc1c(C)cccc1C)[C@@H](C)C#N ZINC000595813143 347358004 /nfs/dbraw/zinc/35/80/04/347358004.db2.gz LEBLWSBADPBHJC-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1c(C)cccc1C)[C@@H](C)C#N ZINC000595813143 347358007 /nfs/dbraw/zinc/35/80/07/347358007.db2.gz LEBLWSBADPBHJC-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839015 347364264 /nfs/dbraw/zinc/36/42/64/347364264.db2.gz GEGNAUUHIVXKON-QMTHXVAHSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839015 347364268 /nfs/dbraw/zinc/36/42/68/347364268.db2.gz GEGNAUUHIVXKON-QMTHXVAHSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000595840828 347365385 /nfs/dbraw/zinc/36/53/85/347365385.db2.gz GGAJDMGFVSFWEE-AWEZNQCLSA-N 1 2 282.359 3.292 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCSc2ccc(F)cc2F)C1 ZINC000595840828 347365389 /nfs/dbraw/zinc/36/53/89/347365389.db2.gz GGAJDMGFVSFWEE-AWEZNQCLSA-N 1 2 282.359 3.292 20 30 CGEDLO Cc1ccc(CC2CN(c3cc(C)[nH+]cc3C#N)C2)cc1 ZINC000596486178 347466874 /nfs/dbraw/zinc/46/68/74/347466874.db2.gz UWUQPJSAXAUWKV-UHFFFAOYSA-N 1 2 277.371 3.249 20 30 CGEDLO C[N@H+](Cc1cccc(OC2CC2)c1F)CC(C)(C)C#N ZINC000597135184 347539224 /nfs/dbraw/zinc/53/92/24/347539224.db2.gz ICPZWXNWGGPUAP-UHFFFAOYSA-N 1 2 276.355 3.348 20 30 CGEDLO C[N@@H+](Cc1cccc(OC2CC2)c1F)CC(C)(C)C#N ZINC000597135184 347539228 /nfs/dbraw/zinc/53/92/28/347539228.db2.gz ICPZWXNWGGPUAP-UHFFFAOYSA-N 1 2 276.355 3.348 20 30 CGEDLO COc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1OC(C)C ZINC000597230619 347558380 /nfs/dbraw/zinc/55/83/80/347558380.db2.gz SLJIQYWJBMHUDT-KRWDZBQOSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1OC(C)C ZINC000597230619 347558383 /nfs/dbraw/zinc/55/83/83/347558383.db2.gz SLJIQYWJBMHUDT-KRWDZBQOSA-N 1 2 288.391 3.218 20 30 CGEDLO Cc1cccn2c(NC(=O)CCCCCC#N)c[nH+]c12 ZINC000598264581 347638419 /nfs/dbraw/zinc/63/84/19/347638419.db2.gz ZEZBUBFHMWZJSK-UHFFFAOYSA-N 1 2 270.336 3.055 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)c(F)c1 ZINC000599027681 347707367 /nfs/dbraw/zinc/70/73/67/347707367.db2.gz PMRVHPBKRCMZKA-CYBMUJFWSA-N 1 2 287.363 3.321 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(F)c(F)c1N(C)C)C1CC1 ZINC000600120128 347781982 /nfs/dbraw/zinc/78/19/82/347781982.db2.gz HSVZJQOZAGQSOA-LLVKDONJSA-N 1 2 293.361 3.155 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(F)c(F)c1N(C)C)C1CC1 ZINC000600120128 347781984 /nfs/dbraw/zinc/78/19/84/347781984.db2.gz HSVZJQOZAGQSOA-LLVKDONJSA-N 1 2 293.361 3.155 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515583 347750049 /nfs/dbraw/zinc/75/00/49/347750049.db2.gz GGUZQRHYFYGQRI-CYBMUJFWSA-N 1 2 276.330 3.448 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000599515583 347750052 /nfs/dbraw/zinc/75/00/52/347750052.db2.gz GGUZQRHYFYGQRI-CYBMUJFWSA-N 1 2 276.330 3.448 20 30 CGEDLO N#CC1(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC000599634193 347760493 /nfs/dbraw/zinc/76/04/93/347760493.db2.gz HBEOGZVRJBBKQK-UHFFFAOYSA-N 1 2 280.293 3.367 20 30 CGEDLO N#CC1(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC000599634193 347760495 /nfs/dbraw/zinc/76/04/95/347760495.db2.gz HBEOGZVRJBBKQK-UHFFFAOYSA-N 1 2 280.293 3.367 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000600145975 347784842 /nfs/dbraw/zinc/78/48/42/347784842.db2.gz SSQRZJCLDKBCSR-UHFFFAOYSA-N 1 2 258.699 3.258 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1n[nH]c2ccccc21 ZINC000600809712 347839110 /nfs/dbraw/zinc/83/91/10/347839110.db2.gz MQRVTRVQVAICSK-UHFFFAOYSA-N 1 2 293.370 3.418 20 30 CGEDLO N#Cc1ccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)cc1 ZINC000600775623 347833693 /nfs/dbraw/zinc/83/36/93/347833693.db2.gz KAUJLQZJXQRVNT-INIZCTEOSA-N 1 2 279.343 3.211 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602448118 347960203 /nfs/dbraw/zinc/96/02/03/347960203.db2.gz SLLSMTCSUBNYME-SNVBAGLBSA-N 1 2 275.302 3.104 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602448118 347960205 /nfs/dbraw/zinc/96/02/05/347960205.db2.gz SLLSMTCSUBNYME-SNVBAGLBSA-N 1 2 275.302 3.104 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000602674714 348006788 /nfs/dbraw/zinc/00/67/88/348006788.db2.gz ZHZGOYBXYDFSJV-CQSZACIVSA-N 1 2 280.375 3.128 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000602674714 348006790 /nfs/dbraw/zinc/00/67/90/348006790.db2.gz ZHZGOYBXYDFSJV-CQSZACIVSA-N 1 2 280.375 3.128 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602741000 348022280 /nfs/dbraw/zinc/02/22/80/348022280.db2.gz YMPAVNRYEHASMW-IGQOVBAYSA-N 1 2 293.432 3.338 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000517957690 260329305 /nfs/dbraw/zinc/32/93/05/260329305.db2.gz UTTUOLOZXBKBHX-SNVBAGLBSA-N 1 2 261.350 3.185 20 30 CGEDLO COCc1cc(C#N)ccc1NCc1cc(C)[nH+]c(C)c1 ZINC000603399779 348079604 /nfs/dbraw/zinc/07/96/04/348079604.db2.gz PNNAZAACHBCWLF-UHFFFAOYSA-N 1 2 281.359 3.329 20 30 CGEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c(Cl)c1 ZINC000602860639 348037099 /nfs/dbraw/zinc/03/70/99/348037099.db2.gz DYFXECRGNXBDTB-VXGBXAGGSA-N 1 2 293.798 3.176 20 30 CGEDLO CC(C)([NH2+]Cc1nc(C2CCC2)no1)c1cccc(C#N)c1 ZINC000602880356 348040050 /nfs/dbraw/zinc/04/00/50/348040050.db2.gz PXJFOEZUKXQVKH-UHFFFAOYSA-N 1 2 296.374 3.234 20 30 CGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975693 348048283 /nfs/dbraw/zinc/04/82/83/348048283.db2.gz GCVDFEOBOUXHAM-IAGOWNOFSA-N 1 2 294.402 3.055 20 30 CGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602975692 348048574 /nfs/dbraw/zinc/04/85/74/348048574.db2.gz GCVDFEOBOUXHAM-DLBZAZTESA-N 1 2 294.402 3.055 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980115 348050153 /nfs/dbraw/zinc/05/01/53/348050153.db2.gz LZRVAOOMKHKMQU-RISCZKNCSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980115 348050154 /nfs/dbraw/zinc/05/01/54/348050154.db2.gz LZRVAOOMKHKMQU-RISCZKNCSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[C@H]1C#N ZINC000602979985 348050344 /nfs/dbraw/zinc/05/03/44/348050344.db2.gz KDRQCDZSNVUKPQ-GWCFXTLKSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@H]1CCC[C@H]1C#N ZINC000602979985 348050345 /nfs/dbraw/zinc/05/03/45/348050345.db2.gz KDRQCDZSNVUKPQ-GWCFXTLKSA-N 1 2 283.297 3.224 20 30 CGEDLO CN(Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979307 348050436 /nfs/dbraw/zinc/05/04/36/348050436.db2.gz BUOAJARRQXIEFW-SJLPKXTDSA-N 1 2 294.402 3.055 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000603842778 348097971 /nfs/dbraw/zinc/09/79/71/348097971.db2.gz CXRFWQGFHDVCTL-CQSZACIVSA-N 1 2 279.343 3.480 20 30 CGEDLO COc1ccc(-c2cc(C[N@H+](C)[C@H](C)CC#N)on2)cc1 ZINC000609449207 348344435 /nfs/dbraw/zinc/34/44/35/348344435.db2.gz GEIURCZAXNDWJW-GFCCVEGCSA-N 1 2 285.347 3.084 20 30 CGEDLO COc1ccc(-c2cc(C[N@@H+](C)[C@H](C)CC#N)on2)cc1 ZINC000609449207 348344438 /nfs/dbraw/zinc/34/44/38/348344438.db2.gz GEIURCZAXNDWJW-GFCCVEGCSA-N 1 2 285.347 3.084 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000609537563 348346637 /nfs/dbraw/zinc/34/66/37/348346637.db2.gz BCMOCIMMAGFKLR-PBHICJAKSA-N 1 2 289.398 3.052 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000610343405 348376475 /nfs/dbraw/zinc/37/64/75/348376475.db2.gz FZABNVGTHDRHOO-QWRGUYRKSA-N 1 2 282.347 3.230 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000612155511 348497756 /nfs/dbraw/zinc/49/77/56/348497756.db2.gz VFMLKTZTRZLLKQ-QGZVFWFLSA-N 1 2 265.360 3.360 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000612155511 348497759 /nfs/dbraw/zinc/49/77/59/348497759.db2.gz VFMLKTZTRZLLKQ-QGZVFWFLSA-N 1 2 265.360 3.360 20 30 CGEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000612406948 348517553 /nfs/dbraw/zinc/51/75/53/348517553.db2.gz YAXVGPRUATVDAV-GOSISDBHSA-N 1 2 294.402 3.213 20 30 CGEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000612406948 348517555 /nfs/dbraw/zinc/51/75/55/348517555.db2.gz YAXVGPRUATVDAV-GOSISDBHSA-N 1 2 294.402 3.213 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000612585304 348530482 /nfs/dbraw/zinc/53/04/82/348530482.db2.gz VYTVHARMMLPDHC-UHFFFAOYSA-N 1 2 271.389 3.449 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000614178505 348655992 /nfs/dbraw/zinc/65/59/92/348655992.db2.gz ILKQENQMOOBYJS-JTQLQIEISA-N 1 2 270.710 3.299 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000614178505 348655996 /nfs/dbraw/zinc/65/59/96/348655996.db2.gz ILKQENQMOOBYJS-JTQLQIEISA-N 1 2 270.710 3.299 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1 ZINC000339506880 215217087 /nfs/dbraw/zinc/21/70/87/215217087.db2.gz OFEKMUVYMXLEIP-QGZVFWFLSA-N 1 2 284.334 3.175 20 30 CGEDLO C=CCC[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000616927388 348883707 /nfs/dbraw/zinc/88/37/07/348883707.db2.gz HVIIYJYJDLSGEU-INIZCTEOSA-N 1 2 283.375 3.118 20 30 CGEDLO C=CCC[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000616927388 348883710 /nfs/dbraw/zinc/88/37/10/348883710.db2.gz HVIIYJYJDLSGEU-INIZCTEOSA-N 1 2 283.375 3.118 20 30 CGEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352492214 290231681 /nfs/dbraw/zinc/23/16/81/290231681.db2.gz WUYBGNMJBADKKU-SNVBAGLBSA-N 1 2 268.282 3.353 20 30 CGEDLO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000618283275 349066334 /nfs/dbraw/zinc/06/63/34/349066334.db2.gz DHQFUPMLDGATIP-RYUDHWBXSA-N 1 2 292.345 3.358 20 30 CGEDLO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000618283275 349066337 /nfs/dbraw/zinc/06/63/37/349066337.db2.gz DHQFUPMLDGATIP-RYUDHWBXSA-N 1 2 292.345 3.358 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014575 349194235 /nfs/dbraw/zinc/19/42/35/349194235.db2.gz OXKCGMUCGLMFJF-GFCCVEGCSA-N 1 2 257.337 3.184 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000619073773 349201069 /nfs/dbraw/zinc/20/10/69/349201069.db2.gz TXQBBDPEORUADT-MRXNPFEDSA-N 1 2 253.349 3.294 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000619073773 349201072 /nfs/dbraw/zinc/20/10/72/349201072.db2.gz TXQBBDPEORUADT-MRXNPFEDSA-N 1 2 253.349 3.294 20 30 CGEDLO C=CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000619114902 349206853 /nfs/dbraw/zinc/20/68/53/349206853.db2.gz POORQPICNNZJFY-UHFFFAOYSA-N 1 2 295.386 3.491 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000619722432 349278679 /nfs/dbraw/zinc/27/86/79/349278679.db2.gz VVBCXIJVYKRSKJ-OAHLLOKOSA-N 1 2 293.794 3.247 20 30 CGEDLO C=CC[N@H+](Cc1cc(O)ccc1Cl)[C@H](C)COC ZINC000625531017 350181139 /nfs/dbraw/zinc/18/11/39/350181139.db2.gz WSFJFJFJQICFQE-LLVKDONJSA-N 1 2 269.772 3.069 20 30 CGEDLO C=CC[N@@H+](Cc1cc(O)ccc1Cl)[C@H](C)COC ZINC000625531017 350181143 /nfs/dbraw/zinc/18/11/43/350181143.db2.gz WSFJFJFJQICFQE-LLVKDONJSA-N 1 2 269.772 3.069 20 30 CGEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000625702310 350200124 /nfs/dbraw/zinc/20/01/24/350200124.db2.gz XDCXUQKLEZAMHU-OAHLLOKOSA-N 1 2 283.375 3.058 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000625702310 350200125 /nfs/dbraw/zinc/20/01/25/350200125.db2.gz XDCXUQKLEZAMHU-OAHLLOKOSA-N 1 2 283.375 3.058 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635482783 351663007 /nfs/dbraw/zinc/66/30/07/351663007.db2.gz NLHZMCQURQOEDT-HUUCEWRRSA-N 1 2 297.358 3.107 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635482783 351663011 /nfs/dbraw/zinc/66/30/11/351663011.db2.gz NLHZMCQURQOEDT-HUUCEWRRSA-N 1 2 297.358 3.107 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(C#N)o1 ZINC000155542999 188213236 /nfs/dbraw/zinc/21/32/36/188213236.db2.gz FYJFQKVHVHFYSF-UHFFFAOYSA-N 1 2 255.321 3.138 20 30 CGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3cscn3)CC2)cc1 ZINC000336244786 213076478 /nfs/dbraw/zinc/07/64/78/213076478.db2.gz BACWEJINPMUGFQ-UHFFFAOYSA-N 1 2 281.384 3.304 20 30 CGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000336244786 213076479 /nfs/dbraw/zinc/07/64/79/213076479.db2.gz BACWEJINPMUGFQ-UHFFFAOYSA-N 1 2 281.384 3.304 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341801851 216110543 /nfs/dbraw/zinc/11/05/43/216110543.db2.gz XYXROJWCWLGFOP-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341801851 216110545 /nfs/dbraw/zinc/11/05/45/216110545.db2.gz XYXROJWCWLGFOP-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@]12CC[N@H+](Cc3cc(F)ccc3C#N)C[C@H]1C2(F)F ZINC000298323614 200395042 /nfs/dbraw/zinc/39/50/42/200395042.db2.gz QZJQQMNIQSKXLO-KGLIPLIRSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@]12CC[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]1C2(F)F ZINC000298323614 200395044 /nfs/dbraw/zinc/39/50/44/200395044.db2.gz QZJQQMNIQSKXLO-KGLIPLIRSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@@]12CC[N@H+](Cc3cc(F)ccc3C#N)C[C@@H]1C2(F)F ZINC000298323619 200395431 /nfs/dbraw/zinc/39/54/31/200395431.db2.gz QZJQQMNIQSKXLO-UONOGXRCSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@@]12CC[N@@H+](Cc3cc(F)ccc3C#N)C[C@@H]1C2(F)F ZINC000298323619 200395432 /nfs/dbraw/zinc/39/54/32/200395432.db2.gz QZJQQMNIQSKXLO-UONOGXRCSA-N 1 2 280.293 3.174 20 30 CGEDLO C=CC[N@@H+](Cc1ccnn1CC)Cc1ccccc1F ZINC000179565748 189202508 /nfs/dbraw/zinc/20/25/08/189202508.db2.gz RMVISHKQVMEAKE-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO C=CC[N@H+](Cc1ccnn1CC)Cc1ccccc1F ZINC000179565748 189202509 /nfs/dbraw/zinc/20/25/09/189202509.db2.gz RMVISHKQVMEAKE-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1c(F)cc(C#N)cc1F ZINC000301862883 201236873 /nfs/dbraw/zinc/23/68/73/201236873.db2.gz UJVKNCHBIMQUBX-UHFFFAOYSA-N 1 2 273.286 3.195 20 30 CGEDLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000301908542 201256815 /nfs/dbraw/zinc/25/68/15/201256815.db2.gz RKKBQGFVXIHOIN-LLVKDONJSA-N 1 2 289.342 3.257 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000035126421 368998733 /nfs/dbraw/zinc/99/87/33/368998733.db2.gz VYRQAKIKTORGBU-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000035126421 368998736 /nfs/dbraw/zinc/99/87/36/368998736.db2.gz VYRQAKIKTORGBU-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000058575366 369571864 /nfs/dbraw/zinc/57/18/64/369571864.db2.gz DJPOFEVPCJLESC-SNVBAGLBSA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000058575366 369571869 /nfs/dbraw/zinc/57/18/69/369571869.db2.gz DJPOFEVPCJLESC-SNVBAGLBSA-N 1 2 256.271 3.439 20 30 CGEDLO CC[N@@H+](Cc1c(F)cccc1N1CCCC1)C[C@@H](C)C#N ZINC000091984156 370085434 /nfs/dbraw/zinc/08/54/34/370085434.db2.gz APECFFPWOFGVJF-AWEZNQCLSA-N 1 2 289.398 3.407 20 30 CGEDLO CC[N@H+](Cc1c(F)cccc1N1CCCC1)C[C@@H](C)C#N ZINC000091984156 370085437 /nfs/dbraw/zinc/08/54/37/370085437.db2.gz APECFFPWOFGVJF-AWEZNQCLSA-N 1 2 289.398 3.407 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729512 370100135 /nfs/dbraw/zinc/10/01/35/370100135.db2.gz NESBTRARBWMAOZ-MRXNPFEDSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCOc1ccccc1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729512 370100138 /nfs/dbraw/zinc/10/01/38/370100138.db2.gz NESBTRARBWMAOZ-MRXNPFEDSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092729389 370100487 /nfs/dbraw/zinc/10/04/87/370100487.db2.gz JIUAPAMPBYVGLG-KRWDZBQOSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092729389 370100491 /nfs/dbraw/zinc/10/04/91/370100491.db2.gz JIUAPAMPBYVGLG-KRWDZBQOSA-N 1 2 295.386 3.149 20 30 CGEDLO CC(C)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090806 370108046 /nfs/dbraw/zinc/10/80/46/370108046.db2.gz MUBZSRLFLUEGPC-LBPRGKRZSA-N 1 2 275.352 3.452 20 30 CGEDLO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090806 370108049 /nfs/dbraw/zinc/10/80/49/370108049.db2.gz MUBZSRLFLUEGPC-LBPRGKRZSA-N 1 2 275.352 3.452 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(Cl)cc3C2)o1 ZINC000093838234 370163172 /nfs/dbraw/zinc/16/31/72/370163172.db2.gz OSRAUGYCYNYTLQ-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(Cl)cc3C2)o1 ZINC000093838234 370163178 /nfs/dbraw/zinc/16/31/78/370163178.db2.gz OSRAUGYCYNYTLQ-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO C[N@@H+](CC#N)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000108374065 370357531 /nfs/dbraw/zinc/35/75/31/370357531.db2.gz NHFDLQFUQVMUHL-UHFFFAOYSA-N 1 2 282.391 3.245 20 30 CGEDLO C[N@H+](CC#N)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000108374065 370357537 /nfs/dbraw/zinc/35/75/37/370357537.db2.gz NHFDLQFUQVMUHL-UHFFFAOYSA-N 1 2 282.391 3.245 20 30 CGEDLO C[N@H+](Cc1ccsc1)Cc1cccc(C#N)c1F ZINC000219514046 376201546 /nfs/dbraw/zinc/20/15/46/376201546.db2.gz DWHANBJJMKTFIM-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccsc1)Cc1cccc(C#N)c1F ZINC000219514046 376201552 /nfs/dbraw/zinc/20/15/52/376201552.db2.gz DWHANBJJMKTFIM-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO Cc1[nH+]c2ccccn2c1COc1cccc(C#N)c1 ZINC000133014627 371218860 /nfs/dbraw/zinc/21/88/60/371218860.db2.gz CNRXLJYZOKSOIO-UHFFFAOYSA-N 1 2 263.300 3.093 20 30 CGEDLO Cc1ccnc(Nc2ccc3c(c2)CCC[NH2+]3)c1C#N ZINC000135200352 371400415 /nfs/dbraw/zinc/40/04/15/371400415.db2.gz YJNCXOYTNGIKFT-UHFFFAOYSA-N 1 2 264.332 3.363 20 30 CGEDLO CCC[N@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000134986988 371381681 /nfs/dbraw/zinc/38/16/81/371381681.db2.gz GQZKJNCXDCQUTK-UHFFFAOYSA-N 1 2 271.389 3.427 20 30 CGEDLO CCC[N@@H+](Cc1nccs1)Cc1ccc(C#N)cc1 ZINC000134986988 371381686 /nfs/dbraw/zinc/38/16/86/371381686.db2.gz GQZKJNCXDCQUTK-UHFFFAOYSA-N 1 2 271.389 3.427 20 30 CGEDLO Cc1cccc(CCCNc2ccc(Cl)c(C#N)n2)[nH+]1 ZINC000286673340 371538403 /nfs/dbraw/zinc/53/84/03/371538403.db2.gz WFXWDQHYHUVSRK-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000158132939 372055377 /nfs/dbraw/zinc/05/53/77/372055377.db2.gz JYLMLBAMUDDDIO-LBPRGKRZSA-N 1 2 262.422 3.442 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000428430732 372198169 /nfs/dbraw/zinc/19/81/69/372198169.db2.gz ONKYAHKCPBNBSU-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc2O1 ZINC000429116324 372314632 /nfs/dbraw/zinc/31/46/32/372314632.db2.gz MLFFBMIKEXEDIN-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc2O1 ZINC000429116324 372314641 /nfs/dbraw/zinc/31/46/41/372314641.db2.gz MLFFBMIKEXEDIN-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO N#Cc1ccnc(Sc2[nH+]cc3ccccn32)c1Cl ZINC000429204090 372322537 /nfs/dbraw/zinc/32/25/37/372322537.db2.gz XOHVWVZPVSACLE-UHFFFAOYSA-N 1 2 286.747 3.406 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000293274715 372342474 /nfs/dbraw/zinc/34/24/74/372342474.db2.gz VEAXTJKBFYCRFK-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000293274715 372342478 /nfs/dbraw/zinc/34/24/78/372342478.db2.gz VEAXTJKBFYCRFK-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000295260948 372722142 /nfs/dbraw/zinc/72/21/42/372722142.db2.gz BQWXDTAEUSJGIE-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000295260948 372722145 /nfs/dbraw/zinc/72/21/45/372722145.db2.gz BQWXDTAEUSJGIE-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C=C[C@H](CC(=O)N[C@H](CC)c1[nH]cc[nH+]1)c1ccccc1 ZINC000442794238 373085140 /nfs/dbraw/zinc/08/51/40/373085140.db2.gz PTHJDCXHSYNNSW-UKRRQHHQSA-N 1 2 283.375 3.337 20 30 CGEDLO C=CC[N@H+](CC(=C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444668592 373226428 /nfs/dbraw/zinc/22/64/28/373226428.db2.gz CMSDUQOKQVWCLR-KRWDZBQOSA-N 1 2 287.403 3.225 20 30 CGEDLO C=CC[N@@H+](CC(=C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444668592 373226437 /nfs/dbraw/zinc/22/64/37/373226437.db2.gz CMSDUQOKQVWCLR-KRWDZBQOSA-N 1 2 287.403 3.225 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000176808133 373630885 /nfs/dbraw/zinc/63/08/85/373630885.db2.gz NDVQUKQJWIEEHW-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000176808133 373630890 /nfs/dbraw/zinc/63/08/90/373630890.db2.gz NDVQUKQJWIEEHW-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO CCOc1ccc(C#N)cc1NCc1cn2ccccc2[nH+]1 ZINC000176876102 373639186 /nfs/dbraw/zinc/63/91/86/373639186.db2.gz OIAAQRJOLOCFTP-UHFFFAOYSA-N 1 2 292.342 3.217 20 30 CGEDLO Cc1ccccc1-c1ccccc1C[NH+]1CC(O)(CC#N)C1 ZINC000449256674 373675132 /nfs/dbraw/zinc/67/51/32/373675132.db2.gz FGTUGSYKMBDWBV-UHFFFAOYSA-N 1 2 292.382 3.122 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc2nccn21 ZINC000180059725 373961101 /nfs/dbraw/zinc/96/11/01/373961101.db2.gz QKGMBBXHCYSUIR-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2nccn21 ZINC000180059725 373961108 /nfs/dbraw/zinc/96/11/08/373961108.db2.gz QKGMBBXHCYSUIR-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO N#Cc1cc(F)c(NCCCNc2cccc[nH+]2)c(F)c1 ZINC000180408097 373999253 /nfs/dbraw/zinc/99/92/53/373999253.db2.gz PGCDRSAHNJEBAZ-UHFFFAOYSA-N 1 2 288.301 3.146 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Cl)c(OC)c1 ZINC000450462040 374146904 /nfs/dbraw/zinc/14/69/04/374146904.db2.gz DNFKYVNHOJCFMC-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Cl)c(OC)c1 ZINC000450462040 374146908 /nfs/dbraw/zinc/14/69/08/374146908.db2.gz DNFKYVNHOJCFMC-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000309301620 374184649 /nfs/dbraw/zinc/18/46/49/374184649.db2.gz MEZRJOMBAHMJJX-JTQLQIEISA-N 1 2 279.181 3.305 20 30 CGEDLO C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000309301620 374184652 /nfs/dbraw/zinc/18/46/52/374184652.db2.gz MEZRJOMBAHMJJX-JTQLQIEISA-N 1 2 279.181 3.305 20 30 CGEDLO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(C#N)cc1 ZINC000453309912 374410270 /nfs/dbraw/zinc/41/02/70/374410270.db2.gz FBNWUXQURLXDEY-CQSZACIVSA-N 1 2 288.782 3.186 20 30 CGEDLO Cc1cccc(C[N@H+](CCC#N)Cc2ccco2)c1O ZINC000183497557 374420765 /nfs/dbraw/zinc/42/07/65/374420765.db2.gz DGPWUFCHWJUOIO-UHFFFAOYSA-N 1 2 270.332 3.210 20 30 CGEDLO Cc1cccc(C[N@@H+](CCC#N)Cc2ccco2)c1O ZINC000183497557 374420772 /nfs/dbraw/zinc/42/07/72/374420772.db2.gz DGPWUFCHWJUOIO-UHFFFAOYSA-N 1 2 270.332 3.210 20 30 CGEDLO Cc1cc(C[NH2+]C[C@@H](C)C#N)c(OC(F)F)cc1C ZINC000183831956 374463688 /nfs/dbraw/zinc/46/36/88/374463688.db2.gz LNFIPRATDSQPDT-VIFPVBQESA-N 1 2 268.307 3.154 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454812484 374484846 /nfs/dbraw/zinc/48/48/46/374484846.db2.gz PZXOPXJATQKZIB-OLZOCXBDSA-N 1 2 278.400 3.008 20 30 CGEDLO CC(C)[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000481513993 375165033 /nfs/dbraw/zinc/16/50/33/375165033.db2.gz HRVJVBPCHBTCDX-MRXNPFEDSA-N 1 2 277.795 3.048 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000481513993 375165043 /nfs/dbraw/zinc/16/50/43/375165043.db2.gz HRVJVBPCHBTCDX-MRXNPFEDSA-N 1 2 277.795 3.048 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000491735192 375341249 /nfs/dbraw/zinc/34/12/49/375341249.db2.gz SUCGZCYCRIMCRS-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000491735192 375341257 /nfs/dbraw/zinc/34/12/57/375341257.db2.gz SUCGZCYCRIMCRS-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO Cc1ccc(NC(=O)/C=C\c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000492084717 375413806 /nfs/dbraw/zinc/41/38/06/375413806.db2.gz BHXGTFQUEGUCIE-NTMALXAHSA-N 1 2 277.327 3.222 20 30 CGEDLO CC1(C)C[NH+](Cc2cc(F)ccc2C#N)CC(C)(C)O1 ZINC000190530908 375518374 /nfs/dbraw/zinc/51/83/74/375518374.db2.gz STTILHHMELMVSM-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000191889587 375672760 /nfs/dbraw/zinc/67/27/60/375672760.db2.gz LTFSXFKGZIFDKR-OAHLLOKOSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000191889587 375672761 /nfs/dbraw/zinc/67/27/61/375672761.db2.gz LTFSXFKGZIFDKR-OAHLLOKOSA-N 1 2 288.391 3.110 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000514770825 375806505 /nfs/dbraw/zinc/80/65/05/375806505.db2.gz OUEVZPKEUPQLMI-UHFFFAOYSA-N 1 2 270.307 3.479 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000521456894 375875685 /nfs/dbraw/zinc/87/56/85/375875685.db2.gz JGNLNSHNVLJDIS-LBPRGKRZSA-N 1 2 293.798 3.177 20 30 CGEDLO C[C@@H](C#N)CN(Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000525833355 375885638 /nfs/dbraw/zinc/88/56/38/375885638.db2.gz HFEWMUIKWFBLGL-HNNXBMFYSA-N 1 2 294.402 3.055 20 30 CGEDLO COc1cc[nH+]cc1COc1cc(Cl)cc(C#N)c1 ZINC000336810916 375963126 /nfs/dbraw/zinc/96/31/26/375963126.db2.gz KAOCZIRRZBNMCT-UHFFFAOYSA-N 1 2 274.707 3.194 20 30 CGEDLO Cc1ccc(NCc2c(F)cc(C#N)cc2F)c(C)[nH+]1 ZINC000194420956 376003030 /nfs/dbraw/zinc/00/30/30/376003030.db2.gz TYCOKDWKTICCFI-UHFFFAOYSA-N 1 2 273.286 3.460 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000535795620 376062931 /nfs/dbraw/zinc/06/29/31/376062931.db2.gz GBAQGBSNDJZKPQ-UHFFFAOYSA-N 1 2 268.364 3.201 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000535795620 376062940 /nfs/dbraw/zinc/06/29/40/376062940.db2.gz GBAQGBSNDJZKPQ-UHFFFAOYSA-N 1 2 268.364 3.201 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1cccc(C#N)c1F ZINC000539251161 376301965 /nfs/dbraw/zinc/30/19/65/376301965.db2.gz URLIGRLGQLBMSM-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cccc(C#N)c1F ZINC000539251161 376301969 /nfs/dbraw/zinc/30/19/69/376301969.db2.gz URLIGRLGQLBMSM-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nccs3)CC2)cc1 ZINC000334277329 206297215 /nfs/dbraw/zinc/29/72/15/206297215.db2.gz OHAKXQSJDCIIMY-UHFFFAOYSA-N 1 2 281.384 3.304 20 30 CGEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nccs3)CC2)cc1 ZINC000334277329 206297218 /nfs/dbraw/zinc/29/72/18/206297218.db2.gz OHAKXQSJDCIIMY-UHFFFAOYSA-N 1 2 281.384 3.304 20 30 CGEDLO C[N@H+](Cc1cccs1)Cc1cc(F)ccc1C#N ZINC000229956070 376477971 /nfs/dbraw/zinc/47/79/71/376477971.db2.gz ZBAQQGGSBVZXOG-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1cccs1)Cc1cc(F)ccc1C#N ZINC000229956070 376477982 /nfs/dbraw/zinc/47/79/82/376477982.db2.gz ZBAQQGGSBVZXOG-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308418 206345420 /nfs/dbraw/zinc/34/54/20/206345420.db2.gz DXDQTORAUQIYMI-ZUZCIYMTSA-N 1 2 284.338 3.149 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1F ZINC000334308418 206345425 /nfs/dbraw/zinc/34/54/25/206345425.db2.gz DXDQTORAUQIYMI-ZUZCIYMTSA-N 1 2 284.338 3.149 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OCC)CC1 ZINC000264462751 190111713 /nfs/dbraw/zinc/11/17/13/190111713.db2.gz KXYPCMXYARLDKS-AWEZNQCLSA-N 1 2 288.391 3.064 20 30 CGEDLO CC#CCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000544578852 376748155 /nfs/dbraw/zinc/74/81/55/376748155.db2.gz IXDAUXDXCNZDIE-UHFFFAOYSA-N 1 2 294.354 3.326 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1F ZINC000339780146 376845660 /nfs/dbraw/zinc/84/56/60/376845660.db2.gz SUSGTEMHYIXLJM-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1F ZINC000339780146 376845665 /nfs/dbraw/zinc/84/56/65/376845665.db2.gz SUSGTEMHYIXLJM-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1nc2ccccc2o1 ZINC000245556579 376853805 /nfs/dbraw/zinc/85/38/05/376853805.db2.gz UIYVQDQPMNILIZ-NWDGAFQWSA-N 1 2 257.337 3.370 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1nc2ccccc2o1 ZINC000245556579 376853811 /nfs/dbraw/zinc/85/38/11/376853811.db2.gz UIYVQDQPMNILIZ-NWDGAFQWSA-N 1 2 257.337 3.370 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000572613971 377549835 /nfs/dbraw/zinc/54/98/35/377549835.db2.gz SHPDUCRFPBKZKY-CQSZACIVSA-N 1 2 273.380 3.030 20 30 CGEDLO C[C@H](CCSc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC000573882284 377587570 /nfs/dbraw/zinc/58/75/70/377587570.db2.gz WTYHOPSJJKAESX-CYBMUJFWSA-N 1 2 260.406 3.403 20 30 CGEDLO Cc1[nH]c2ccc(CSc3ccc(C#N)cn3)cc2[nH+]1 ZINC000342677981 377728760 /nfs/dbraw/zinc/72/87/60/377728760.db2.gz RMCXNLXVKSEGLN-UHFFFAOYSA-N 1 2 280.356 3.430 20 30 CGEDLO Cc1[nH]c2cc(CSc3ccc(C#N)cn3)ccc2[nH+]1 ZINC000342677981 377728766 /nfs/dbraw/zinc/72/87/66/377728766.db2.gz RMCXNLXVKSEGLN-UHFFFAOYSA-N 1 2 280.356 3.430 20 30 CGEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC2(C#N)CC2)s1 ZINC000343322592 377953004 /nfs/dbraw/zinc/95/30/04/377953004.db2.gz QZILNTKFDLAUIB-LLVKDONJSA-N 1 2 263.410 3.311 20 30 CGEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC2(C#N)CC2)s1 ZINC000343322592 377953009 /nfs/dbraw/zinc/95/30/09/377953009.db2.gz QZILNTKFDLAUIB-LLVKDONJSA-N 1 2 263.410 3.311 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000264447176 377986862 /nfs/dbraw/zinc/98/68/62/377986862.db2.gz DARIVHZKSXZOBK-CYBMUJFWSA-N 1 2 276.355 3.113 20 30 CGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1[nH]c2ccccc2[nH+]1 ZINC000343601919 378035343 /nfs/dbraw/zinc/03/53/43/378035343.db2.gz GIAJXFRUGUFNFA-UHFFFAOYSA-N 1 2 297.358 3.231 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC2(CCC2)O1 ZINC000578886980 378110357 /nfs/dbraw/zinc/11/03/57/378110357.db2.gz CYICDVUKPBLHSY-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC2(CCC2)O1 ZINC000578886980 378110364 /nfs/dbraw/zinc/11/03/64/378110364.db2.gz CYICDVUKPBLHSY-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@@H](CC#N)C1 ZINC000580992582 378274197 /nfs/dbraw/zinc/27/41/97/378274197.db2.gz HOTPUBJNQPEWCA-ZFWWWQNUSA-N 1 2 265.360 3.459 20 30 CGEDLO C[N@H+](Cc1ccccc1OCC1CC1)CC(C)(C)C#N ZINC000580226485 378234908 /nfs/dbraw/zinc/23/49/08/378234908.db2.gz FSFZSLDDPBUVFN-UHFFFAOYSA-N 1 2 272.392 3.457 20 30 CGEDLO C[N@@H+](Cc1ccccc1OCC1CC1)CC(C)(C)C#N ZINC000580226485 378234912 /nfs/dbraw/zinc/23/49/12/378234912.db2.gz FSFZSLDDPBUVFN-UHFFFAOYSA-N 1 2 272.392 3.457 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270318371 378334073 /nfs/dbraw/zinc/33/40/73/378334073.db2.gz HTUCKKMCLAUMKT-NOZJJQNGSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270318371 378334080 /nfs/dbraw/zinc/33/40/80/378334080.db2.gz HTUCKKMCLAUMKT-NOZJJQNGSA-N 1 2 287.190 3.261 20 30 CGEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(OC(F)F)cc1C ZINC000271116918 378456300 /nfs/dbraw/zinc/45/63/00/378456300.db2.gz GATJNMUZBXGSTI-JTQLQIEISA-N 1 2 282.334 3.496 20 30 CGEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)c(OC(F)F)cc1C ZINC000271116918 378456307 /nfs/dbraw/zinc/45/63/07/378456307.db2.gz GATJNMUZBXGSTI-JTQLQIEISA-N 1 2 282.334 3.496 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000271353247 378490207 /nfs/dbraw/zinc/49/02/07/378490207.db2.gz WQIGCNINNXAGPQ-PJTDZHLKSA-N 1 2 277.364 3.023 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C)c(C)o1 ZINC000272227561 378589245 /nfs/dbraw/zinc/58/92/45/378589245.db2.gz DBWBBMIGLDBRCW-UHFFFAOYSA-N 1 2 260.337 3.115 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C)c(C)o1 ZINC000272227561 378589250 /nfs/dbraw/zinc/58/92/50/378589250.db2.gz DBWBBMIGLDBRCW-UHFFFAOYSA-N 1 2 260.337 3.115 20 30 CGEDLO C#CCC1(C(=O)Nc2cc[nH+]cc2C)CCCCC1 ZINC000276641278 378972420 /nfs/dbraw/zinc/97/24/20/378972420.db2.gz KTPLDZMOCFHBPB-UHFFFAOYSA-N 1 2 256.349 3.302 20 30 CGEDLO C=C(C)CCc1noc(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000349774969 379376904 /nfs/dbraw/zinc/37/69/04/379376904.db2.gz CBTCFLWCPQJWGP-UHFFFAOYSA-N 1 2 282.347 3.240 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000278947430 379409747 /nfs/dbraw/zinc/40/97/47/379409747.db2.gz MQVIUMGZUDAPJO-MRXNPFEDSA-N 1 2 265.360 3.118 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000278947430 379409757 /nfs/dbraw/zinc/40/97/57/379409757.db2.gz MQVIUMGZUDAPJO-MRXNPFEDSA-N 1 2 265.360 3.118 20 30 CGEDLO N#C[C@H]1[N@H+](CCCCCF)CCC[C@@]12CCCCO2 ZINC000375362799 379493315 /nfs/dbraw/zinc/49/33/15/379493315.db2.gz RRWZDOAEZNERFD-CABCVRRESA-N 1 2 268.376 3.053 20 30 CGEDLO N#C[C@H]1[N@@H+](CCCCCF)CCC[C@@]12CCCCO2 ZINC000375362799 379493322 /nfs/dbraw/zinc/49/33/22/379493322.db2.gz RRWZDOAEZNERFD-CABCVRRESA-N 1 2 268.376 3.053 20 30 CGEDLO C[N@H+](C/C(Cl)=C/Cl)Cc1ccc(C#N)cc1 ZINC000266893140 190288216 /nfs/dbraw/zinc/28/82/16/190288216.db2.gz TVCZVDWZPRDYRJ-SDQBBNPISA-N 1 2 255.148 3.309 20 30 CGEDLO C[N@@H+](C/C(Cl)=C/Cl)Cc1ccc(C#N)cc1 ZINC000266893140 190288217 /nfs/dbraw/zinc/28/82/17/190288217.db2.gz TVCZVDWZPRDYRJ-SDQBBNPISA-N 1 2 255.148 3.309 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccon1 ZINC000351604541 379729917 /nfs/dbraw/zinc/72/99/17/379729917.db2.gz MDBAKRLJLNIYNL-CYBMUJFWSA-N 1 2 285.347 3.208 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000280801836 379793284 /nfs/dbraw/zinc/79/32/84/379793284.db2.gz RYMQXYXGOYFMKO-DZGCQCFKSA-N 1 2 273.380 3.056 20 30 CGEDLO CC[C@H](CNc1cc(C)[nH+]cc1C#N)CC(F)(F)F ZINC000402590271 379968710 /nfs/dbraw/zinc/96/87/10/379968710.db2.gz ZSJZYYDKHVPBAC-JTQLQIEISA-N 1 2 271.286 3.074 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C(=O)OC)c1ccccc1 ZINC000411491214 380148452 /nfs/dbraw/zinc/14/84/52/380148452.db2.gz NXABMTOUZTZWGK-KRWDZBQOSA-N 1 2 299.370 3.224 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C(=O)OC)c1ccccc1 ZINC000411491214 380148458 /nfs/dbraw/zinc/14/84/58/380148458.db2.gz NXABMTOUZTZWGK-KRWDZBQOSA-N 1 2 299.370 3.224 20 30 CGEDLO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(C#N)c(Cl)c1 ZINC000286420575 380211818 /nfs/dbraw/zinc/21/18/18/380211818.db2.gz QYTOMTYRTZUUHO-WFASDCNBSA-N 1 2 289.810 3.275 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000354035422 380292843 /nfs/dbraw/zinc/29/28/43/380292843.db2.gz YHAAIQOWSQXKKE-CYBMUJFWSA-N 1 2 280.375 3.201 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000354035422 380292849 /nfs/dbraw/zinc/29/28/49/380292849.db2.gz YHAAIQOWSQXKKE-CYBMUJFWSA-N 1 2 280.375 3.201 20 30 CGEDLO C[C@H](C#N)CN(Cc1c[nH+]c2ccc(Cl)cn12)C1CC1 ZINC000354044286 380297824 /nfs/dbraw/zinc/29/78/24/380297824.db2.gz HRDAOGPTACQXCZ-LLVKDONJSA-N 1 2 288.782 3.112 20 30 CGEDLO C=CCOCC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000354320444 380398034 /nfs/dbraw/zinc/39/80/34/380398034.db2.gz XPUZLHRXSSWBRN-UHFFFAOYSA-N 1 2 287.363 3.002 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc[nH+]c(C2CC2)n1 ZINC000419016270 380762620 /nfs/dbraw/zinc/76/26/20/380762620.db2.gz OQXSCSGCRGINMF-MRXNPFEDSA-N 1 2 290.370 3.137 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)CO1 ZINC000356095081 380790628 /nfs/dbraw/zinc/79/06/28/380790628.db2.gz XBQKBQGXIXOABC-GHMZBOCLSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)CO1 ZINC000356095081 380790635 /nfs/dbraw/zinc/79/06/35/380790635.db2.gz XBQKBQGXIXOABC-GHMZBOCLSA-N 1 2 298.308 3.186 20 30 CGEDLO Cn1ccnc1[C@@H]([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000357400268 381146133 /nfs/dbraw/zinc/14/61/33/381146133.db2.gz FMVRSPWYEYZTKQ-AWEZNQCLSA-N 1 2 288.782 3.056 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccccc1C#N ZINC000359839849 381373669 /nfs/dbraw/zinc/37/36/69/381373669.db2.gz DYPSGRLSXJBXOG-CQSZACIVSA-N 1 2 278.355 3.341 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccccc1C#N ZINC000359839849 381373675 /nfs/dbraw/zinc/37/36/75/381373675.db2.gz DYPSGRLSXJBXOG-CQSZACIVSA-N 1 2 278.355 3.341 20 30 CGEDLO Cn1cc(CNc2c[nH+]ccc2OC(C)(C)C)cc1C#N ZINC000191477286 130240518 /nfs/dbraw/zinc/24/05/18/130240518.db2.gz DTRXLKJZBZYPMS-UHFFFAOYSA-N 1 2 284.363 3.081 20 30 CGEDLO CCOc1c(Cl)cc(C[N@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090501 392234758 /nfs/dbraw/zinc/23/47/58/392234758.db2.gz XKHVMQXIDCQELI-NSHDSACASA-N 1 2 296.798 3.481 20 30 CGEDLO CCOc1c(Cl)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090501 392234760 /nfs/dbraw/zinc/23/47/60/392234760.db2.gz XKHVMQXIDCQELI-NSHDSACASA-N 1 2 296.798 3.481 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000284152648 392311030 /nfs/dbraw/zinc/31/10/30/392311030.db2.gz POGYSJJLEJHXSH-ZDUSSCGKSA-N 1 2 269.348 3.450 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282076971 392280476 /nfs/dbraw/zinc/28/04/76/392280476.db2.gz HJYDMLSMVFCSFR-AWEZNQCLSA-N 1 2 285.391 3.144 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283859215 392308978 /nfs/dbraw/zinc/30/89/78/392308978.db2.gz HJWPXJVDLZYUKR-CMDGGOBGSA-N 1 2 273.380 3.018 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)onc1CC)Cc1ccccc1 ZINC000285742859 392328402 /nfs/dbraw/zinc/32/84/02/392328402.db2.gz QNEORBRCPKENJL-UHFFFAOYSA-N 1 2 268.360 3.181 20 30 CGEDLO C#CC[N@H+](Cc1c(C)onc1CC)Cc1ccccc1 ZINC000285742859 392328410 /nfs/dbraw/zinc/32/84/10/392328410.db2.gz QNEORBRCPKENJL-UHFFFAOYSA-N 1 2 268.360 3.181 20 30 CGEDLO C=C[C@](C)(CC)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000289065113 392413592 /nfs/dbraw/zinc/41/35/92/392413592.db2.gz NPSPOQFALXEWAM-MRXNPFEDSA-N 1 2 295.346 3.171 20 30 CGEDLO C=CCCSC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289503739 392422369 /nfs/dbraw/zinc/42/23/69/392422369.db2.gz ZPZBFMOPMPUKEH-AWEZNQCLSA-N 1 2 290.432 3.323 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000134910694 392469795 /nfs/dbraw/zinc/46/97/95/392469795.db2.gz UBWOHNNNSHYPTG-QGZVFWFLSA-N 1 2 285.391 3.063 20 30 CGEDLO N#CCSCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000177835517 392669087 /nfs/dbraw/zinc/66/90/87/392669087.db2.gz JTUTVEUXWDNFRP-UHFFFAOYSA-N 1 2 284.375 3.401 20 30 CGEDLO N#CCSCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000177835517 392669093 /nfs/dbraw/zinc/66/90/93/392669093.db2.gz JTUTVEUXWDNFRP-UHFFFAOYSA-N 1 2 284.375 3.401 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000173539708 392626672 /nfs/dbraw/zinc/62/66/72/392626672.db2.gz NJQMKQWXMALPDK-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000173539708 392626675 /nfs/dbraw/zinc/62/66/75/392626675.db2.gz NJQMKQWXMALPDK-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO C[C@H](C#N)CN(C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338164523 392900143 /nfs/dbraw/zinc/90/01/43/392900143.db2.gz MSLOKWJKWGRELW-CYBMUJFWSA-N 1 2 295.342 3.106 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000532171538 392993062 /nfs/dbraw/zinc/99/30/62/392993062.db2.gz JRHFFJMWQRQAQH-UHFFFAOYSA-N 1 2 284.403 3.483 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000532171538 392993068 /nfs/dbraw/zinc/99/30/68/392993068.db2.gz JRHFFJMWQRQAQH-UHFFFAOYSA-N 1 2 284.403 3.483 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2c(F)cccc2Cl)n1 ZINC000352835902 393211317 /nfs/dbraw/zinc/21/13/17/393211317.db2.gz QQBMRDOOQHITCV-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000274163474 393280479 /nfs/dbraw/zinc/28/04/79/393280479.db2.gz MPOLMNNUTSAVEQ-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000274163474 393280482 /nfs/dbraw/zinc/28/04/82/393280482.db2.gz MPOLMNNUTSAVEQ-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000649280212 393391134 /nfs/dbraw/zinc/39/11/34/393391134.db2.gz KMEKHKAQHNSOLS-CYBMUJFWSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000649280212 393391139 /nfs/dbraw/zinc/39/11/39/393391139.db2.gz KMEKHKAQHNSOLS-CYBMUJFWSA-N 1 2 286.202 3.289 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C(C)C)[nH]1 ZINC000428451518 393463371 /nfs/dbraw/zinc/46/33/71/393463371.db2.gz CBHKRLFHZKHWIC-UHFFFAOYSA-N 1 2 284.407 3.159 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C(C)C)[nH]1 ZINC000428451518 393463375 /nfs/dbraw/zinc/46/33/75/393463375.db2.gz CBHKRLFHZKHWIC-UHFFFAOYSA-N 1 2 284.407 3.159 20 30 CGEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)ccc1C#N ZINC000488449011 393518611 /nfs/dbraw/zinc/51/86/11/393518611.db2.gz ODAHYPOTIFXFGS-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1cc(C[N@H+]2CCOC[C@@H]2c2ccccc2)ccc1C#N ZINC000488449011 393518618 /nfs/dbraw/zinc/51/86/18/393518618.db2.gz ODAHYPOTIFXFGS-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000361114118 393676349 /nfs/dbraw/zinc/67/63/49/393676349.db2.gz QQJZMIBYVXSGHW-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(C#N)cs1)C2 ZINC000361114118 393676353 /nfs/dbraw/zinc/67/63/53/393676353.db2.gz QQJZMIBYVXSGHW-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667955967 542949314 /nfs/dbraw/zinc/94/93/14/542949314.db2.gz PSBIQQWJQQEROH-ZDUSSCGKSA-N 1 2 284.363 3.215 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)CO1 ZINC000649823971 397730043 /nfs/dbraw/zinc/73/00/43/397730043.db2.gz SAZIWYRQEDCVTR-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)CO1 ZINC000649823971 397730048 /nfs/dbraw/zinc/73/00/48/397730048.db2.gz SAZIWYRQEDCVTR-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CCOc1cccc(CNc2ccc(OC)c[nH+]2)c1 ZINC000676201170 543386613 /nfs/dbraw/zinc/38/66/13/543386613.db2.gz KCDBCZOOAXVEJI-UHFFFAOYSA-N 1 2 270.332 3.267 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000083416237 287080051 /nfs/dbraw/zinc/08/00/51/287080051.db2.gz VCEUYZKHFBCRRX-UHFFFAOYSA-N 1 2 264.369 3.025 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000083416237 287080053 /nfs/dbraw/zinc/08/00/53/287080053.db2.gz VCEUYZKHFBCRRX-UHFFFAOYSA-N 1 2 264.369 3.025 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594795 165306831 /nfs/dbraw/zinc/30/68/31/165306831.db2.gz WKAIUXRWPYQMEP-CYBMUJFWSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594795 165306833 /nfs/dbraw/zinc/30/68/33/165306833.db2.gz WKAIUXRWPYQMEP-CYBMUJFWSA-N 1 2 290.413 3.255 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000025790760 171465871 /nfs/dbraw/zinc/46/58/71/171465871.db2.gz IBRPHYBUQMSDAI-QWRGUYRKSA-N 1 2 296.440 3.227 20 30 CGEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1C#N ZINC000285479405 196298029 /nfs/dbraw/zinc/29/80/29/196298029.db2.gz VRVJBAVYAGUTSI-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1C#N ZINC000285479405 196298030 /nfs/dbraw/zinc/29/80/30/196298030.db2.gz VRVJBAVYAGUTSI-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(F)ccc1Br ZINC000038039280 174039516 /nfs/dbraw/zinc/03/95/16/174039516.db2.gz HRUFWCBAIZRBJY-UHFFFAOYSA-N 1 2 278.552 3.430 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)ccc1Br ZINC000038039256 174039556 /nfs/dbraw/zinc/03/95/56/174039556.db2.gz ZXIJJLSOJORDEZ-LLVKDONJSA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1ccc(C#N)c(NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000127658184 287293027 /nfs/dbraw/zinc/29/30/27/287293027.db2.gz DBCUSTOUKFNCBT-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)o1 ZINC000129718621 287337977 /nfs/dbraw/zinc/33/79/77/287337977.db2.gz PGHKERSVNJTNFO-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000129718621 287337978 /nfs/dbraw/zinc/33/79/78/287337978.db2.gz PGHKERSVNJTNFO-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000347043134 226026925 /nfs/dbraw/zinc/02/69/25/226026925.db2.gz CZOUXSYAOIPZGO-QZTJIDSGSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000347043134 226026926 /nfs/dbraw/zinc/02/69/26/226026926.db2.gz CZOUXSYAOIPZGO-QZTJIDSGSA-N 1 2 295.361 3.492 20 30 CGEDLO O=C(NCc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329160003 227332995 /nfs/dbraw/zinc/33/29/95/227332995.db2.gz FADSZJFSAZXAOU-IACUBPJLSA-N 1 2 261.369 3.473 20 30 CGEDLO O=C(NCc1c[nH]c[nH+]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329160003 227332998 /nfs/dbraw/zinc/33/29/98/227332998.db2.gz FADSZJFSAZXAOU-IACUBPJLSA-N 1 2 261.369 3.473 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccco1 ZINC000658336253 418941147 /nfs/dbraw/zinc/94/11/47/418941147.db2.gz QAHZDNQZYDBVNJ-CHWSQXEVSA-N 1 2 259.353 3.371 20 30 CGEDLO C=CCCCCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000654458344 418975657 /nfs/dbraw/zinc/97/56/57/418975657.db2.gz DDDZIKSFFXZOHX-UHFFFAOYSA-N 1 2 292.427 3.085 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)nn1 ZINC000653497121 419037852 /nfs/dbraw/zinc/03/78/52/419037852.db2.gz RPIYSLHPBREVKC-HNNXBMFYSA-N 1 2 284.407 3.356 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)nn1 ZINC000653497121 419037855 /nfs/dbraw/zinc/03/78/55/419037855.db2.gz RPIYSLHPBREVKC-HNNXBMFYSA-N 1 2 284.407 3.356 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)[nH+]c2c1CCCC2 ZINC000664572347 418979841 /nfs/dbraw/zinc/97/98/41/418979841.db2.gz RJWKPGNWFFZHHT-OKILXGFUSA-N 1 2 269.392 3.351 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)nn1 ZINC000653614661 419059280 /nfs/dbraw/zinc/05/92/80/419059280.db2.gz HSZOMHNXQWSGGC-ZDUSSCGKSA-N 1 2 296.374 3.451 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)nn1 ZINC000653614660 419059582 /nfs/dbraw/zinc/05/95/82/419059582.db2.gz HSZOMHNXQWSGGC-CYBMUJFWSA-N 1 2 296.374 3.451 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000661378708 419255741 /nfs/dbraw/zinc/25/57/41/419255741.db2.gz KVDNHOJQPCDVSC-GFCCVEGCSA-N 1 2 263.385 3.155 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000661378708 419255743 /nfs/dbraw/zinc/25/57/43/419255743.db2.gz KVDNHOJQPCDVSC-GFCCVEGCSA-N 1 2 263.385 3.155 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000661380133 419256086 /nfs/dbraw/zinc/25/60/86/419256086.db2.gz FFKYMTZDVCBHCA-OAHLLOKOSA-N 1 2 282.391 3.055 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)C1 ZINC000661380133 419256088 /nfs/dbraw/zinc/25/60/88/419256088.db2.gz FFKYMTZDVCBHCA-OAHLLOKOSA-N 1 2 282.391 3.055 20 30 CGEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1C1CC1 ZINC000661150581 419235391 /nfs/dbraw/zinc/23/53/91/419235391.db2.gz ORGZUVTWRNAENY-OAHLLOKOSA-N 1 2 299.418 3.248 20 30 CGEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1C1CC1 ZINC000661150581 419235393 /nfs/dbraw/zinc/23/53/93/419235393.db2.gz ORGZUVTWRNAENY-OAHLLOKOSA-N 1 2 299.418 3.248 20 30 CGEDLO C[C@@]1(C2CC2)C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000661167662 419237775 /nfs/dbraw/zinc/23/77/75/419237775.db2.gz IZKXRFIUWYHYST-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@@]1(C2CC2)C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000661167662 419237776 /nfs/dbraw/zinc/23/77/76/419237776.db2.gz IZKXRFIUWYHYST-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO C=CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661798403 419299416 /nfs/dbraw/zinc/29/94/16/419299416.db2.gz MMYKBYGYQWULRC-RISCZKNCSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661798403 419299418 /nfs/dbraw/zinc/29/94/18/419299418.db2.gz MMYKBYGYQWULRC-RISCZKNCSA-N 1 2 251.757 3.288 20 30 CGEDLO N#CCC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000367149964 228073295 /nfs/dbraw/zinc/07/32/95/228073295.db2.gz AMECEFWZVMTGKW-HNNXBMFYSA-N 1 2 264.319 3.462 20 30 CGEDLO N#C[C@H]1CC[C@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000353624327 228134194 /nfs/dbraw/zinc/13/41/94/228134194.db2.gz DJGLUQIEOVGOTK-AAEUAGOBSA-N 1 2 250.292 3.060 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)co2)cc1 ZINC000332191490 228151703 /nfs/dbraw/zinc/15/17/03/228151703.db2.gz PPWFIESFNJMCAK-GDBMZVCRSA-N 1 2 281.359 3.432 20 30 CGEDLO CC#CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662095859 419335360 /nfs/dbraw/zinc/33/53/60/419335360.db2.gz RMVAWWAIRHWIBO-CYBMUJFWSA-N 1 2 264.166 3.219 20 30 CGEDLO CC#CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662095859 419335363 /nfs/dbraw/zinc/33/53/63/419335363.db2.gz RMVAWWAIRHWIBO-CYBMUJFWSA-N 1 2 264.166 3.219 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc(C)no1 ZINC000662520378 419450397 /nfs/dbraw/zinc/45/03/97/419450397.db2.gz DHILNNCTVVNGKK-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nc(C)no1 ZINC000662520378 419450407 /nfs/dbraw/zinc/45/04/07/419450407.db2.gz DHILNNCTVVNGKK-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)c1cnccn1 ZINC000297731184 260133325 /nfs/dbraw/zinc/13/33/25/260133325.db2.gz BYZJBNALOAZITK-ZDUSSCGKSA-N 1 2 271.339 3.365 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)c1cnccn1 ZINC000297731184 260133327 /nfs/dbraw/zinc/13/33/27/260133327.db2.gz BYZJBNALOAZITK-ZDUSSCGKSA-N 1 2 271.339 3.365 20 30 CGEDLO C=C(Cl)CN1C[C@@H](C)[N@@H+](CC(=C)Cl)CC1(C)C ZINC000298347941 260151360 /nfs/dbraw/zinc/15/13/60/260151360.db2.gz MJCNXTATIIGHSX-GFCCVEGCSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)CN1C[C@@H](C)[N@H+](CC(=C)Cl)CC1(C)C ZINC000298347941 260151361 /nfs/dbraw/zinc/15/13/61/260151361.db2.gz MJCNXTATIIGHSX-GFCCVEGCSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)CN1CC(C)(C)[N@@H+](CC(=C)Cl)C[C@H]1C ZINC000298347941 260151362 /nfs/dbraw/zinc/15/13/62/260151362.db2.gz MJCNXTATIIGHSX-GFCCVEGCSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)CN1CC(C)(C)[N@H+](CC(=C)Cl)C[C@H]1C ZINC000298347941 260151363 /nfs/dbraw/zinc/15/13/63/260151363.db2.gz MJCNXTATIIGHSX-GFCCVEGCSA-N 1 2 277.239 3.276 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(C2CC2)no1 ZINC000298815339 260162291 /nfs/dbraw/zinc/16/22/91/260162291.db2.gz FTTXQFAKLYORTL-LBPRGKRZSA-N 1 2 287.363 3.332 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(C2CC2)no1 ZINC000298815339 260162293 /nfs/dbraw/zinc/16/22/93/260162293.db2.gz FTTXQFAKLYORTL-LBPRGKRZSA-N 1 2 287.363 3.332 20 30 CGEDLO C=C1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000427019104 260548153 /nfs/dbraw/zinc/54/81/53/260548153.db2.gz HKGPHHMVDIFIFK-HNNXBMFYSA-N 1 2 290.794 3.097 20 30 CGEDLO N#CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CCCC1 ZINC000156681357 261128412 /nfs/dbraw/zinc/12/84/12/261128412.db2.gz DYRNWUUWOWIREY-UHFFFAOYSA-N 1 2 281.359 3.209 20 30 CGEDLO N#CC[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CCCC1 ZINC000156681357 261128414 /nfs/dbraw/zinc/12/84/14/261128414.db2.gz DYRNWUUWOWIREY-UHFFFAOYSA-N 1 2 281.359 3.209 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCCCC1 ZINC000490935469 261254411 /nfs/dbraw/zinc/25/44/11/261254411.db2.gz NBCOMZCQXYVYNU-UHFFFAOYSA-N 1 2 298.434 3.258 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCCCC1 ZINC000490935469 261254414 /nfs/dbraw/zinc/25/44/14/261254414.db2.gz NBCOMZCQXYVYNU-UHFFFAOYSA-N 1 2 298.434 3.258 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000161931882 261263508 /nfs/dbraw/zinc/26/35/08/261263508.db2.gz KJGJFQYNOLSYKM-VIFPVBQESA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000161931882 261263510 /nfs/dbraw/zinc/26/35/10/261263510.db2.gz KJGJFQYNOLSYKM-VIFPVBQESA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@H](c1ccsc1)[NH+]1CCN(CCCCC#N)CC1 ZINC000185443127 262054125 /nfs/dbraw/zinc/05/41/25/262054125.db2.gz XVALURHJCJZOBC-CQSZACIVSA-N 1 2 277.437 3.121 20 30 CGEDLO N#C[C@H]1CCC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000193176417 262217873 /nfs/dbraw/zinc/21/78/73/262217873.db2.gz BOUXWLNKFLSIHV-UONOGXRCSA-N 1 2 266.348 3.367 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2(SC)CCC2)c1O ZINC000193256751 262219087 /nfs/dbraw/zinc/21/90/87/262219087.db2.gz FHIBTYWECGGXOS-OQLLNIDSSA-N 1 2 265.378 3.105 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(F)c1O ZINC000272297711 263003165 /nfs/dbraw/zinc/00/31/65/263003165.db2.gz PFUXIAZDFSHLPV-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC000272297711 263003166 /nfs/dbraw/zinc/00/31/66/263003166.db2.gz PFUXIAZDFSHLPV-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000273351737 263015807 /nfs/dbraw/zinc/01/58/07/263015807.db2.gz QGXVYJGSDBHMBF-MDDWGPDPSA-N 1 2 277.364 3.025 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000273351731 263015864 /nfs/dbraw/zinc/01/58/64/263015864.db2.gz QGXVYJGSDBHMBF-JHBBZFSESA-N 1 2 277.364 3.025 20 30 CGEDLO CC(C)[N@@H+]1CC[C@@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279335658 263054904 /nfs/dbraw/zinc/05/49/04/263054904.db2.gz UKUJNAUWTYKAMN-CABCVRRESA-N 1 2 295.789 3.116 20 30 CGEDLO CC(C)[N@H+]1CC[C@@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279335658 263054905 /nfs/dbraw/zinc/05/49/05/263054905.db2.gz UKUJNAUWTYKAMN-CABCVRRESA-N 1 2 295.789 3.116 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1C/[NH+]=C/c1cc(OCC)ccc1O ZINC000281721696 263071526 /nfs/dbraw/zinc/07/15/26/263071526.db2.gz IHGWOLPKMHUVMW-PLKIBFOFSA-N 1 2 289.375 3.191 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1OC1CC1)CC1CC1 ZINC000289986300 263113673 /nfs/dbraw/zinc/11/36/73/263113673.db2.gz KATNVTPOJRFNCF-UHFFFAOYSA-N 1 2 270.376 3.353 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1OC1CC1)CC1CC1 ZINC000289986300 263113674 /nfs/dbraw/zinc/11/36/74/263113674.db2.gz KATNVTPOJRFNCF-UHFFFAOYSA-N 1 2 270.376 3.353 20 30 CGEDLO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000292916211 263136442 /nfs/dbraw/zinc/13/64/42/263136442.db2.gz FVYPXFSBSJTXQJ-KBPBESRZSA-N 1 2 295.386 3.078 20 30 CGEDLO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000292916211 263136443 /nfs/dbraw/zinc/13/64/43/263136443.db2.gz FVYPXFSBSJTXQJ-KBPBESRZSA-N 1 2 295.386 3.078 20 30 CGEDLO C=CC[C@H](C)NC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000342079316 263385026 /nfs/dbraw/zinc/38/50/26/263385026.db2.gz WWEZCFUKNQMUBE-HNNXBMFYSA-N 1 2 289.423 3.167 20 30 CGEDLO C=CC[C@H](C)NC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000342079316 263385030 /nfs/dbraw/zinc/38/50/30/263385030.db2.gz WWEZCFUKNQMUBE-HNNXBMFYSA-N 1 2 289.423 3.167 20 30 CGEDLO C=CCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000330782538 264052757 /nfs/dbraw/zinc/05/27/57/264052757.db2.gz PPWQZIXGXDKARK-CYBMUJFWSA-N 1 2 288.395 3.281 20 30 CGEDLO CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CCCO1 ZINC000331350081 264206672 /nfs/dbraw/zinc/20/66/72/264206672.db2.gz YEZMASPBKFPQKD-KBPBESRZSA-N 1 2 291.395 3.290 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000288898319 264695223 /nfs/dbraw/zinc/69/52/23/264695223.db2.gz IEZREOIPWGKHIZ-HNNXBMFYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000344435709 265061592 /nfs/dbraw/zinc/06/15/92/265061592.db2.gz QFLKEQZBGQALOQ-ZDUSSCGKSA-N 1 2 283.375 3.295 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)no1 ZINC000370001121 267281886 /nfs/dbraw/zinc/28/18/86/267281886.db2.gz GQWGMLKMZZWVNL-CYBMUJFWSA-N 1 2 276.384 3.235 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)no1 ZINC000370001121 267281888 /nfs/dbraw/zinc/28/18/88/267281888.db2.gz GQWGMLKMZZWVNL-CYBMUJFWSA-N 1 2 276.384 3.235 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336579846 275750752 /nfs/dbraw/zinc/75/07/52/275750752.db2.gz LUENILKMEBBYTM-CQSZACIVSA-N 1 2 283.375 3.062 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000336094148 276915615 /nfs/dbraw/zinc/91/56/15/276915615.db2.gz OCEJJMVVRZLQOI-CYBMUJFWSA-N 1 2 259.353 3.271 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc2O1 ZINC000429136768 288210741 /nfs/dbraw/zinc/21/07/41/288210741.db2.gz QXZQQMSHUCRCRT-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc2O1 ZINC000429136768 288210745 /nfs/dbraw/zinc/21/07/45/288210745.db2.gz QXZQQMSHUCRCRT-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)Cc2ccccc2O1 ZINC000429153085 288218964 /nfs/dbraw/zinc/21/89/64/288218964.db2.gz YTRZGNVYBRISBR-CQSZACIVSA-N 1 2 278.355 3.341 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)Cc2ccccc2O1 ZINC000429153085 288218966 /nfs/dbraw/zinc/21/89/66/288218966.db2.gz YTRZGNVYBRISBR-CQSZACIVSA-N 1 2 278.355 3.341 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000292267716 281246473 /nfs/dbraw/zinc/24/64/73/281246473.db2.gz PYXUJOVRINILSK-CYBMUJFWSA-N 1 2 298.308 3.100 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C(F)(F)F)O1 ZINC000292267716 281246474 /nfs/dbraw/zinc/24/64/74/281246474.db2.gz PYXUJOVRINILSK-CYBMUJFWSA-N 1 2 298.308 3.100 20 30 CGEDLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000543762686 288819352 /nfs/dbraw/zinc/81/93/52/288819352.db2.gz HXGRSHAZDOEZTN-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000339574383 328011791 /nfs/dbraw/zinc/01/17/91/328011791.db2.gz PCLQMSDCGAGZNK-QWHCGFSZSA-N 1 2 290.432 3.243 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339574383 328011793 /nfs/dbraw/zinc/01/17/93/328011793.db2.gz PCLQMSDCGAGZNK-QWHCGFSZSA-N 1 2 290.432 3.243 20 30 CGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1c(F)cccc1F ZINC000264895009 328162569 /nfs/dbraw/zinc/16/25/69/328162569.db2.gz UMPJPFSUVOCJGY-QWRGUYRKSA-N 1 2 263.291 3.059 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000343982214 328554980 /nfs/dbraw/zinc/55/49/80/328554980.db2.gz QZQJXPWMTNXFIO-MRXNPFEDSA-N 1 2 269.348 3.413 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000085220696 326968940 /nfs/dbraw/zinc/96/89/40/326968940.db2.gz FTAMQOSXEJEKQL-QMMMGPOBSA-N 1 2 287.588 3.352 20 30 CGEDLO Cc1cc2ccccc2[nH+]c1N1CCC(C#N)CC1 ZINC000150954059 327401806 /nfs/dbraw/zinc/40/18/06/327401806.db2.gz RJEBEAHIPZODIC-UHFFFAOYSA-N 1 2 251.333 3.283 20 30 CGEDLO Clc1cccc(C#CCN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000378482071 329052346 /nfs/dbraw/zinc/05/23/46/329052346.db2.gz CMELOHWTZYUHNK-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000378482071 329052348 /nfs/dbraw/zinc/05/23/48/329052348.db2.gz CMELOHWTZYUHNK-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000378482071 329052350 /nfs/dbraw/zinc/05/23/50/329052350.db2.gz CMELOHWTZYUHNK-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO N#CCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175454825 329168679 /nfs/dbraw/zinc/16/86/79/329168679.db2.gz MGWADPHBCJXDDQ-AWEZNQCLSA-N 1 2 298.308 3.382 20 30 CGEDLO N#CCCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175454825 329168681 /nfs/dbraw/zinc/16/86/81/329168681.db2.gz MGWADPHBCJXDDQ-AWEZNQCLSA-N 1 2 298.308 3.382 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000180055589 329215097 /nfs/dbraw/zinc/21/50/97/329215097.db2.gz MJCQEJVHLMZKFG-AWEZNQCLSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000180055589 329215098 /nfs/dbraw/zinc/21/50/98/329215098.db2.gz MJCQEJVHLMZKFG-AWEZNQCLSA-N 1 2 291.391 3.023 20 30 CGEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n(CCC)c1C ZINC000181330208 329231592 /nfs/dbraw/zinc/23/15/92/329231592.db2.gz LGFJLWZXBZZUQR-UHFFFAOYSA-N 1 2 262.397 3.206 20 30 CGEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n(CCC)c1C ZINC000181330208 329231594 /nfs/dbraw/zinc/23/15/94/329231594.db2.gz LGFJLWZXBZZUQR-UHFFFAOYSA-N 1 2 262.397 3.206 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000227353151 329272217 /nfs/dbraw/zinc/27/22/17/329272217.db2.gz LZRSBJMIFMEDHC-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000187374983 329356886 /nfs/dbraw/zinc/35/68/86/329356886.db2.gz JVCQZCQJHLMEOF-CQSZACIVSA-N 1 2 263.291 3.095 20 30 CGEDLO C=C(C)[C@@H](NCc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC000187374983 329356887 /nfs/dbraw/zinc/35/68/87/329356887.db2.gz JVCQZCQJHLMEOF-CQSZACIVSA-N 1 2 263.291 3.095 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000056117945 330367649 /nfs/dbraw/zinc/36/76/49/330367649.db2.gz LFZLEHMRLHLPHT-LBPRGKRZSA-N 1 2 271.389 3.389 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000056117945 330367650 /nfs/dbraw/zinc/36/76/50/330367650.db2.gz LFZLEHMRLHLPHT-LBPRGKRZSA-N 1 2 271.389 3.389 20 30 CGEDLO C=CC[N@@H+](CC(=O)NCCC(C)(C)C)Cc1cccs1 ZINC000120417327 330388592 /nfs/dbraw/zinc/38/85/92/330388592.db2.gz IJBQNOMHWKBDJS-UHFFFAOYSA-N 1 2 294.464 3.289 20 30 CGEDLO C=CC[N@H+](CC(=O)NCCC(C)(C)C)Cc1cccs1 ZINC000120417327 330388593 /nfs/dbraw/zinc/38/85/93/330388593.db2.gz IJBQNOMHWKBDJS-UHFFFAOYSA-N 1 2 294.464 3.289 20 30 CGEDLO C=CC[C@H](CC)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000440636515 330753174 /nfs/dbraw/zinc/75/31/74/330753174.db2.gz HYYVDJCNTKEGMT-AWEZNQCLSA-N 1 2 282.391 3.290 20 30 CGEDLO C=CCC[C@H]([NH2+]C/C=C\c1ccccc1)C(=O)OCC ZINC000449656935 330942388 /nfs/dbraw/zinc/94/23/88/330942388.db2.gz NCBHYXLSJZQWIA-CKDIWJPDSA-N 1 2 273.376 3.187 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCC(F)(F)C2)CCC[C@]12CCCCO2 ZINC000450880921 331004385 /nfs/dbraw/zinc/00/43/85/331004385.db2.gz LLBFZWRORVXVMK-QLFBSQMISA-N 1 2 298.377 3.349 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCC(F)(F)C2)CCC[C@]12CCCCO2 ZINC000450880921 331004386 /nfs/dbraw/zinc/00/43/86/331004386.db2.gz LLBFZWRORVXVMK-QLFBSQMISA-N 1 2 298.377 3.349 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000194748635 331039277 /nfs/dbraw/zinc/03/92/77/331039277.db2.gz VOCWBZIFOUEXBI-DZGCQCFKSA-N 1 2 261.365 3.235 20 30 CGEDLO C=CCCc1noc(CCc2[nH]c3c(cccc3C)[nH+]2)n1 ZINC000453240367 331105860 /nfs/dbraw/zinc/10/58/60/331105860.db2.gz UBOLPZCUKUNYRJ-UHFFFAOYSA-N 1 2 282.347 3.158 20 30 CGEDLO C=CCCc1noc(CCc2[nH]c3cccc(C)c3[nH+]2)n1 ZINC000453240367 331105861 /nfs/dbraw/zinc/10/58/61/331105861.db2.gz UBOLPZCUKUNYRJ-UHFFFAOYSA-N 1 2 282.347 3.158 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000491210837 332167302 /nfs/dbraw/zinc/16/73/02/332167302.db2.gz ZJVHGKCPMCZICO-UHFFFAOYSA-N 1 2 250.411 3.284 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000491210837 332167303 /nfs/dbraw/zinc/16/73/03/332167303.db2.gz ZJVHGKCPMCZICO-UHFFFAOYSA-N 1 2 250.411 3.284 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491506834 332225341 /nfs/dbraw/zinc/22/53/41/332225341.db2.gz RNXHFDWOJRIDFP-CYBMUJFWSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491506834 332225342 /nfs/dbraw/zinc/22/53/42/332225342.db2.gz RNXHFDWOJRIDFP-CYBMUJFWSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@H](CC)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000491702941 332297043 /nfs/dbraw/zinc/29/70/43/332297043.db2.gz MUXQBWODWHANQS-CYBMUJFWSA-N 1 2 280.327 3.016 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000491749034 332326042 /nfs/dbraw/zinc/32/60/42/332326042.db2.gz PHVUMCZBYZRPOI-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000491749034 332326044 /nfs/dbraw/zinc/32/60/44/332326044.db2.gz PHVUMCZBYZRPOI-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000491775527 332341229 /nfs/dbraw/zinc/34/12/29/332341229.db2.gz YHBHLVTZBYHTRV-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000491775527 332341230 /nfs/dbraw/zinc/34/12/30/332341230.db2.gz YHBHLVTZBYHTRV-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2ccc(Cl)cc2n1C ZINC000505903073 332757370 /nfs/dbraw/zinc/75/73/70/332757370.db2.gz MPQXOWBSIMOOGC-UHFFFAOYSA-N 1 2 275.783 3.401 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000177225722 333055334 /nfs/dbraw/zinc/05/53/34/333055334.db2.gz FIRDXPVFHREDJP-BETUJISGSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000177225722 333055336 /nfs/dbraw/zinc/05/53/36/333055336.db2.gz FIRDXPVFHREDJP-BETUJISGSA-N 1 2 297.320 3.166 20 30 CGEDLO Cc1ccc(C)c(Oc2ccc(C[NH2+]CCC#N)cn2)c1 ZINC000516862217 333084679 /nfs/dbraw/zinc/08/46/79/333084679.db2.gz PRUCZLRLRGJAMX-UHFFFAOYSA-N 1 2 281.359 3.494 20 30 CGEDLO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185864266 333150571 /nfs/dbraw/zinc/15/05/71/333150571.db2.gz PNAJMIIJLDGCEJ-IHRRRGAJSA-N 1 2 280.412 3.025 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1F ZINC000191869290 333226719 /nfs/dbraw/zinc/22/67/19/333226719.db2.gz ZQVLZAMCUFMECT-UHFFFAOYSA-N 1 2 253.320 3.309 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1F ZINC000191869290 333226721 /nfs/dbraw/zinc/22/67/21/333226721.db2.gz ZQVLZAMCUFMECT-UHFFFAOYSA-N 1 2 253.320 3.309 20 30 CGEDLO N#CC[N@@H+](CCOc1cccc(Cl)c1)C1CCCC1 ZINC000523442222 333327017 /nfs/dbraw/zinc/32/70/17/333327017.db2.gz RUWOQUHMJHVCGV-UHFFFAOYSA-N 1 2 278.783 3.487 20 30 CGEDLO N#CC[N@H+](CCOc1cccc(Cl)c1)C1CCCC1 ZINC000523442222 333327018 /nfs/dbraw/zinc/32/70/18/333327018.db2.gz RUWOQUHMJHVCGV-UHFFFAOYSA-N 1 2 278.783 3.487 20 30 CGEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174566423 335159245 /nfs/dbraw/zinc/15/92/45/335159245.db2.gz CNQWNEOAEPLXEF-SNVBAGLBSA-N 1 2 274.295 3.150 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC000132851151 334007959 /nfs/dbraw/zinc/00/79/59/334007959.db2.gz UMMQXBCBVSQERS-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000132851151 334007960 /nfs/dbraw/zinc/00/79/60/334007960.db2.gz UMMQXBCBVSQERS-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000565148906 334540647 /nfs/dbraw/zinc/54/06/47/334540647.db2.gz VQSNWIUKZHYTQF-SHTZXODSSA-N 1 2 287.407 3.277 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)oc1C ZINC000194957127 336041136 /nfs/dbraw/zinc/04/11/36/336041136.db2.gz QWJKHXHVSSXVCO-UHFFFAOYSA-N 1 2 281.359 3.328 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)oc1C ZINC000194957127 336041138 /nfs/dbraw/zinc/04/11/38/336041138.db2.gz QWJKHXHVSSXVCO-UHFFFAOYSA-N 1 2 281.359 3.328 20 30 CGEDLO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000581926341 336169788 /nfs/dbraw/zinc/16/97/88/336169788.db2.gz PBJZEZSWMLRVGJ-AEGPPILISA-N 1 2 287.411 3.098 20 30 CGEDLO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000356091769 533792055 /nfs/dbraw/zinc/79/20/55/533792055.db2.gz HMYGFTWUNNNVBY-OAHLLOKOSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000356091769 533792065 /nfs/dbraw/zinc/79/20/65/533792065.db2.gz HMYGFTWUNNNVBY-OAHLLOKOSA-N 1 2 299.399 3.360 20 30 CGEDLO Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2C#N)[nH+]c1 ZINC000413348422 533809655 /nfs/dbraw/zinc/80/96/55/533809655.db2.gz OEQRQILRMIXHDE-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO Cc1cc(N2CC[C@@H](c3ccccc3F)C2)c(C#N)c[nH+]1 ZINC000425223845 533904298 /nfs/dbraw/zinc/90/42/98/533904298.db2.gz IYSCRFZGCSYJRI-CYBMUJFWSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1ccn2c(CNc3cc(C#N)ccc3C)c[nH+]c2c1 ZINC000354856601 534348440 /nfs/dbraw/zinc/34/84/40/534348440.db2.gz ULGSLKGFQRLPPH-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)s1 ZINC000335003391 534370549 /nfs/dbraw/zinc/37/05/49/534370549.db2.gz XQUVXGCTJNNJLD-CVEARBPZSA-N 1 2 297.427 3.499 20 30 CGEDLO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c(C)s1 ZINC000335003391 534370554 /nfs/dbraw/zinc/37/05/54/534370554.db2.gz XQUVXGCTJNNJLD-CVEARBPZSA-N 1 2 297.427 3.499 20 30 CGEDLO Cc1cn2cc(NC(=O)CC3CCOCC3)ccc2[nH+]1 ZINC000329509630 534512757 /nfs/dbraw/zinc/51/27/57/534512757.db2.gz BENIWDDHBXQWQB-UHFFFAOYSA-N 1 2 273.336 3.047 20 30 CGEDLO N#Cc1cc(F)ccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000156924099 526559484 /nfs/dbraw/zinc/55/94/84/526559484.db2.gz SZSSQBLWYZCCLO-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)sc1C ZINC000094966451 526841001 /nfs/dbraw/zinc/84/10/01/526841001.db2.gz XWYGLQVOGFTZBM-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2cccc(C#N)c2)sc1C ZINC000094966451 526841005 /nfs/dbraw/zinc/84/10/05/526841005.db2.gz XWYGLQVOGFTZBM-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO C=CCCC1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000355827521 527091749 /nfs/dbraw/zinc/09/17/49/527091749.db2.gz HCIPUFIFLHUIFU-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CCCC1(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000354933519 527091793 /nfs/dbraw/zinc/09/17/93/527091793.db2.gz WDRMQADEPWTRSO-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353350691 527293228 /nfs/dbraw/zinc/29/32/28/527293228.db2.gz MBOUBRHZCIQDCF-LBPRGKRZSA-N 1 2 272.352 3.201 20 30 CGEDLO CCN(CCC[N@H+](CC#N)C1CCCC1)CC(F)(F)F ZINC000354824614 528444800 /nfs/dbraw/zinc/44/48/00/528444800.db2.gz ZCKSXSJPAWSVTN-UHFFFAOYSA-N 1 2 291.361 3.029 20 30 CGEDLO CCN(CCC[N@@H+](CC#N)C1CCCC1)CC(F)(F)F ZINC000354824614 528444803 /nfs/dbraw/zinc/44/48/03/528444803.db2.gz ZCKSXSJPAWSVTN-UHFFFAOYSA-N 1 2 291.361 3.029 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@H](C)C#N)cc2[nH+]1 ZINC000347043515 529045420 /nfs/dbraw/zinc/04/54/20/529045420.db2.gz WYOLOVCRWXLLEE-SNVBAGLBSA-N 1 2 270.336 3.004 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C/c1cccc(O)c1O ZINC000727653659 571761150 /nfs/dbraw/zinc/76/11/50/571761150.db2.gz VGDRHHCYWWPHOB-LDADJPATSA-N 1 2 285.343 3.158 20 30 CGEDLO CCCCCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000727763146 571767280 /nfs/dbraw/zinc/76/72/80/571767280.db2.gz OGLZNUQTQOYWDG-UHFFFAOYSA-N 1 2 276.380 3.032 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000730095544 571947982 /nfs/dbraw/zinc/94/79/82/571947982.db2.gz KVZOVDQKYQVCPF-INIZCTEOSA-N 1 2 284.403 3.020 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000730095544 571947986 /nfs/dbraw/zinc/94/79/86/571947986.db2.gz KVZOVDQKYQVCPF-INIZCTEOSA-N 1 2 284.403 3.020 20 30 CGEDLO O=[N+]([O-])c1cc(C=NNc2cc[nH+]c3ccccc23)cs1 ZINC000730148048 571950961 /nfs/dbraw/zinc/95/09/61/571950961.db2.gz MYCXVAUAPOPNQK-UHFFFAOYSA-N 1 2 298.327 3.072 20 30 CGEDLO Fc1ccc(C=NNc2cc[nH+]c3ccccc23)c(F)c1 ZINC000730147519 571951042 /nfs/dbraw/zinc/95/10/42/571951042.db2.gz PMYJUYCLGDICEO-UHFFFAOYSA-N 1 2 283.281 3.381 20 30 CGEDLO O=C1c2cc(OC(F)(F)F)ccc2C/C1=C\c1[nH]cc[nH+]1 ZINC000737451283 572344786 /nfs/dbraw/zinc/34/47/86/572344786.db2.gz XYCCIICMDYTILN-RMKNXTFCSA-N 1 2 294.232 3.131 20 30 CGEDLO Cc1nc(C)c(CO[NH+]=C(N)c2ccc(F)c(C)c2)s1 ZINC000742354569 572349974 /nfs/dbraw/zinc/34/99/74/572349974.db2.gz QVOPLXVRNLTYMP-UHFFFAOYSA-N 1 2 293.367 3.045 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cn1ccc(-c2ccsc2)n1 ZINC000731659518 572420749 /nfs/dbraw/zinc/42/07/49/572420749.db2.gz IUPIDBPFAONREA-UHFFFAOYSA-N 1 2 288.420 3.441 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cn1ccc(-c2ccsc2)n1 ZINC000731659518 572420750 /nfs/dbraw/zinc/42/07/50/572420750.db2.gz IUPIDBPFAONREA-UHFFFAOYSA-N 1 2 288.420 3.441 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\[C@@H]2CC[C@@H](SC)C2)c1 ZINC000743043550 572635841 /nfs/dbraw/zinc/63/58/41/572635841.db2.gz WPMQONQJAZLRJD-AKCQFSKZSA-N 1 2 279.405 3.494 20 30 CGEDLO C=CCCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745097895 572796166 /nfs/dbraw/zinc/79/61/66/572796166.db2.gz MSNNFGKAVPDTFN-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO C=CCCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745097895 572796168 /nfs/dbraw/zinc/79/61/68/572796168.db2.gz MSNNFGKAVPDTFN-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1csc(CC(=O)OC(C)C)n1)C(C)C ZINC000746102104 572851807 /nfs/dbraw/zinc/85/18/07/572851807.db2.gz ZHMQILRGCJOOOM-UHFFFAOYSA-N 1 2 296.436 3.034 20 30 CGEDLO C=CC[N@H+](Cc1csc(CC(=O)OC(C)C)n1)C(C)C ZINC000746102104 572851809 /nfs/dbraw/zinc/85/18/09/572851809.db2.gz ZHMQILRGCJOOOM-UHFFFAOYSA-N 1 2 296.436 3.034 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000746457858 572872537 /nfs/dbraw/zinc/87/25/37/572872537.db2.gz RTYZAPAEKCMIJX-SFHVURJKSA-N 1 2 292.382 3.322 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000746457858 572872541 /nfs/dbraw/zinc/87/25/41/572872541.db2.gz RTYZAPAEKCMIJX-SFHVURJKSA-N 1 2 292.382 3.322 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCc2cccc(C)c2)c1 ZINC000749104521 572989123 /nfs/dbraw/zinc/98/91/23/572989123.db2.gz MLXXMHZTZMGUEY-LDADJPATSA-N 1 2 269.344 3.371 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000749113503 572989417 /nfs/dbraw/zinc/98/94/17/572989417.db2.gz HYIMGBLMWURSRF-GFCCVEGCSA-N 1 2 252.155 3.342 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000749113503 572989418 /nfs/dbraw/zinc/98/94/18/572989418.db2.gz HYIMGBLMWURSRF-GFCCVEGCSA-N 1 2 252.155 3.342 20 30 CGEDLO C#CC[N@@H+](CC=C)Cc1cc(Br)ccc1F ZINC000749250434 572991120 /nfs/dbraw/zinc/99/11/20/572991120.db2.gz LWFDYLFLHOXFLL-UHFFFAOYSA-N 1 2 282.156 3.209 20 30 CGEDLO C#CC[N@H+](CC=C)Cc1cc(Br)ccc1F ZINC000749250434 572991121 /nfs/dbraw/zinc/99/11/21/572991121.db2.gz LWFDYLFLHOXFLL-UHFFFAOYSA-N 1 2 282.156 3.209 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000957429811 613294347 /nfs/dbraw/zinc/29/43/47/613294347.db2.gz QQVYUIOLOCATAD-OAHLLOKOSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980796259 613373178 /nfs/dbraw/zinc/37/31/78/613373178.db2.gz GPTOYCZAUAUMRV-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980796259 613373179 /nfs/dbraw/zinc/37/31/79/613373179.db2.gz GPTOYCZAUAUMRV-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC000980844691 613373424 /nfs/dbraw/zinc/37/34/24/613373424.db2.gz IGOBRPKOAAGSHK-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC000980844691 613373425 /nfs/dbraw/zinc/37/34/25/613373425.db2.gz IGOBRPKOAAGSHK-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000951781213 613709051 /nfs/dbraw/zinc/70/90/51/613709051.db2.gz OIXIIGHBEOMZKY-HOTGVXAUSA-N 1 2 292.467 3.169 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC2CCCC2)C(C)C)CC1 ZINC000951130218 613710563 /nfs/dbraw/zinc/71/05/63/613710563.db2.gz BUMYNXFMSBMHJD-KRWDZBQOSA-N 1 2 292.467 3.169 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC2CCCC2)C(C)C)CC1 ZINC000951130219 613712245 /nfs/dbraw/zinc/71/22/45/613712245.db2.gz BUMYNXFMSBMHJD-QGZVFWFLSA-N 1 2 292.467 3.169 20 30 CGEDLO C=C(C)c1cccc(NC(=O)CCc2c[nH+]cn2C)c1 ZINC000890890102 617892014 /nfs/dbraw/zinc/89/20/14/617892014.db2.gz JEGZDPPALBKCQB-UHFFFAOYSA-N 1 2 269.348 3.025 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc([N+](=O)[O-])cc1 ZINC000255101603 617921841 /nfs/dbraw/zinc/92/18/41/617921841.db2.gz CRIJMJZMSXALND-HJWRWDBZSA-N 1 2 293.282 3.139 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c(F)c1 ZINC000255125029 617947981 /nfs/dbraw/zinc/94/79/81/617947981.db2.gz ZFQRWNUPLUYUEL-YVMONPNESA-N 1 2 296.301 3.378 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOc3ccccc3C2)cs1 ZINC000891751961 618279058 /nfs/dbraw/zinc/27/90/58/618279058.db2.gz BNRMJSADVFGPJA-UHFFFAOYSA-N 1 2 270.357 3.014 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOc3ccccc3C2)cs1 ZINC000891751961 618279066 /nfs/dbraw/zinc/27/90/66/618279066.db2.gz BNRMJSADVFGPJA-UHFFFAOYSA-N 1 2 270.357 3.014 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255499254 618615844 /nfs/dbraw/zinc/61/58/44/618615844.db2.gz YLTQDELLXXINDM-YFHOEESVSA-N 1 2 278.311 3.239 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000934516620 618637302 /nfs/dbraw/zinc/63/73/02/618637302.db2.gz MZBFGPFFGCCTRB-LLVKDONJSA-N 1 2 268.282 3.088 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000934516620 618637304 /nfs/dbraw/zinc/63/73/04/618637304.db2.gz MZBFGPFFGCCTRB-LLVKDONJSA-N 1 2 268.282 3.088 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cccc(C#N)c1O ZINC000925690411 619139569 /nfs/dbraw/zinc/13/95/69/619139569.db2.gz JJQLIACHJFVENU-CWRNSKLLSA-N 1 2 288.391 3.120 20 30 CGEDLO CC(C)n1cc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)nn1 ZINC000925926885 619334693 /nfs/dbraw/zinc/33/46/93/619334693.db2.gz VCIZMMJAQYRWIW-ZDUSSCGKSA-N 1 2 295.390 3.071 20 30 CGEDLO COc1ccc2[nH+]ccc(N(C)CC(C)(C)C#N)c2c1 ZINC000893975935 619342965 /nfs/dbraw/zinc/34/29/65/619342965.db2.gz JYVMBGVGBDSCSS-UHFFFAOYSA-N 1 2 269.348 3.229 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3\COc4ccccc4C3=O)n2c1 ZINC000178765782 619384862 /nfs/dbraw/zinc/38/48/62/619384862.db2.gz MVSRGWOSZDCQCA-MDWZMJQESA-N 1 2 290.322 3.301 20 30 CGEDLO CC1=C[C@@H](C)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877495132 619393438 /nfs/dbraw/zinc/39/34/38/619393438.db2.gz YOQHNIUTVWNEAY-SNVBAGLBSA-N 1 2 261.756 3.005 20 30 CGEDLO CC1=C[C@@H](C)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877495132 619393439 /nfs/dbraw/zinc/39/34/39/619393439.db2.gz YOQHNIUTVWNEAY-SNVBAGLBSA-N 1 2 261.756 3.005 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCC(F)F ZINC000894468858 619546442 /nfs/dbraw/zinc/54/64/42/619546442.db2.gz FYLWMUPSMKNMIR-LBPRGKRZSA-N 1 2 268.307 3.112 20 30 CGEDLO CCNc1cc(CNc2cc(C)cc(F)c2C#N)cc[nH+]1 ZINC000894873387 619661910 /nfs/dbraw/zinc/66/19/10/619661910.db2.gz ROSZHMNBISKDKE-UHFFFAOYSA-N 1 2 284.338 3.445 20 30 CGEDLO N#CCCCOc1cccc(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000894891657 619670573 /nfs/dbraw/zinc/67/05/73/619670573.db2.gz BBOXGORMZTVNGW-UHFFFAOYSA-N 1 2 298.308 3.363 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000895215906 619783855 /nfs/dbraw/zinc/78/38/55/619783855.db2.gz SFXIRAZNHZHSTR-UHFFFAOYSA-N 1 2 290.366 3.399 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000895215906 619783859 /nfs/dbraw/zinc/78/38/59/619783859.db2.gz SFXIRAZNHZHSTR-UHFFFAOYSA-N 1 2 290.366 3.399 20 30 CGEDLO N#CCC1C[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000895253179 619791925 /nfs/dbraw/zinc/79/19/25/619791925.db2.gz CQBLTNPUIRZQOT-UHFFFAOYSA-N 1 2 277.780 3.295 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000896503720 620018551 /nfs/dbraw/zinc/01/85/51/620018551.db2.gz PRBUGJOTZPDQNC-CYBMUJFWSA-N 1 2 280.318 3.066 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000896503720 620018552 /nfs/dbraw/zinc/01/85/52/620018552.db2.gz PRBUGJOTZPDQNC-CYBMUJFWSA-N 1 2 280.318 3.066 20 30 CGEDLO CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897592246 620405674 /nfs/dbraw/zinc/40/56/74/620405674.db2.gz SSVRVKJAWMBDJT-GOSISDBHSA-N 1 2 296.370 3.287 20 30 CGEDLO CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897592246 620405676 /nfs/dbraw/zinc/40/56/76/620405676.db2.gz SSVRVKJAWMBDJT-GOSISDBHSA-N 1 2 296.370 3.287 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000899227523 620626769 /nfs/dbraw/zinc/62/67/69/620626769.db2.gz MTKMBQNGOXFFKS-QCUKBLKESA-N 1 2 289.375 3.312 20 30 CGEDLO Cc1[nH]c(/C=C2/C(=O)c3c(c(F)ccc3O)[C@H]2C)[nH+]c1C ZINC000901450960 620885031 /nfs/dbraw/zinc/88/50/31/620885031.db2.gz GOOQPEXVZKDZJP-FSEMZKDTSA-N 1 2 286.306 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)ccc1C ZINC000901431937 620886404 /nfs/dbraw/zinc/88/64/04/620886404.db2.gz ZAXGYBWEMTWJHF-BQYQJAHWSA-N 1 2 254.333 3.416 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2cc(F)ccc2C1=O ZINC000901480495 620892283 /nfs/dbraw/zinc/89/22/83/620892283.db2.gz JZNJPMHNIFOWAW-WQLSENKSSA-N 1 2 270.307 3.255 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(cccc2F)C1=O ZINC000901467410 620895688 /nfs/dbraw/zinc/89/56/88/620895688.db2.gz IGZPXBVRJPTFHX-IZZDOVSWSA-N 1 2 270.307 3.426 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901489730 620898646 /nfs/dbraw/zinc/89/86/46/620898646.db2.gz PYWAKRKUNVALJE-WAYWQWQTSA-N 1 2 269.348 3.318 20 30 CGEDLO COc1ccc(CC/[NH+]=C/c2ccccc2O)cc1 ZINC000060802938 623071964 /nfs/dbraw/zinc/07/19/64/623071964.db2.gz JRWQURQVZSUMNF-SFQUDFHCSA-N 1 2 255.317 3.062 20 30 CGEDLO C#CC[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000061779664 623179086 /nfs/dbraw/zinc/17/90/86/623179086.db2.gz FNTCBQVRUVEIHV-UHFFFAOYSA-N 1 2 271.385 3.392 20 30 CGEDLO C#CC[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000061779664 623179090 /nfs/dbraw/zinc/17/90/90/623179090.db2.gz FNTCBQVRUVEIHV-UHFFFAOYSA-N 1 2 271.385 3.392 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000753585382 623435152 /nfs/dbraw/zinc/43/51/52/623435152.db2.gz AGXCNKKHOJSBHT-AWEZNQCLSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000753585382 623435157 /nfs/dbraw/zinc/43/51/57/623435157.db2.gz AGXCNKKHOJSBHT-AWEZNQCLSA-N 1 2 264.756 3.171 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1c(=O)oc2ccccc21 ZINC000914570432 623830190 /nfs/dbraw/zinc/83/01/90/623830190.db2.gz KRPLTEYXWLALLK-UHFFFAOYSA-N 1 2 294.354 3.240 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cn1c(=O)oc2ccccc21 ZINC000914570432 623830193 /nfs/dbraw/zinc/83/01/93/623830193.db2.gz KRPLTEYXWLALLK-UHFFFAOYSA-N 1 2 294.354 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993343439 624032922 /nfs/dbraw/zinc/03/29/22/624032922.db2.gz KDWSTJREJYHLKH-ZFWWWQNUSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993343439 624032923 /nfs/dbraw/zinc/03/29/23/624032923.db2.gz KDWSTJREJYHLKH-ZFWWWQNUSA-N 1 2 296.842 3.208 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)cc(C)c2)cc1 ZINC000071965292 625213001 /nfs/dbraw/zinc/21/30/01/625213001.db2.gz ATZBTRFCAQEWHS-UHFFFAOYSA-N 1 2 284.359 3.149 20 30 CGEDLO Cc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1C#N ZINC000922758279 626042563 /nfs/dbraw/zinc/04/25/63/626042563.db2.gz AOCZYPAFQUTJGM-UHFFFAOYSA-N 1 2 283.375 3.442 20 30 CGEDLO C#CC[C@H]([NH2+]C1CCC2(CCCCC2)CC1)C(=O)OC ZINC000839166842 626324399 /nfs/dbraw/zinc/32/43/99/626324399.db2.gz BEBQAAICOGHMLC-HNNXBMFYSA-N 1 2 277.408 3.034 20 30 CGEDLO Brc1cnn([NH+]=C2CCc3ccccc3C2)c1 ZINC000752742200 626437128 /nfs/dbraw/zinc/43/71/28/626437128.db2.gz AZAATTWLCWPJPQ-UHFFFAOYSA-N 1 2 290.164 3.039 20 30 CGEDLO CCOc1ccccc1C[N@H+](CCC#N)CC(C)C ZINC000755671739 626636162 /nfs/dbraw/zinc/63/61/62/626636162.db2.gz XMYKAUMPWBEGHZ-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO CCOc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000755671739 626636163 /nfs/dbraw/zinc/63/61/63/626636163.db2.gz XMYKAUMPWBEGHZ-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO CC(=[NH+]O[C@@H]1CCCCO1)c1ccc(F)cc1N(C)C ZINC000755824912 626651588 /nfs/dbraw/zinc/65/15/88/626651588.db2.gz ZZVLWIQFYABICE-OAHLLOKOSA-N 1 2 280.343 3.159 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CCCc1ccc2c(c1)OCCO2 ZINC000758359833 626839435 /nfs/dbraw/zinc/83/94/35/626839435.db2.gz SATHMGPSKORNLS-CPNJWEJPSA-N 1 2 297.354 3.215 20 30 CGEDLO C=C(C)C[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000759250555 626883972 /nfs/dbraw/zinc/88/39/72/626883972.db2.gz XAEMUTJNODFUOI-UHFFFAOYSA-N 1 2 253.386 3.197 20 30 CGEDLO C#CCCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000762075481 627085904 /nfs/dbraw/zinc/08/59/04/627085904.db2.gz LCFDTBOJLRWTRQ-UHFFFAOYSA-N 1 2 292.342 3.268 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3cc(C#N)ncn3)cc2)CC1 ZINC000764763387 627222140 /nfs/dbraw/zinc/22/21/40/627222140.db2.gz LDMYYTVFIHIUPS-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnc(C2CC2)s1 ZINC000768153294 627463573 /nfs/dbraw/zinc/46/35/73/627463573.db2.gz CNZXSFSNXIVTNR-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc(C2CC2)s1 ZINC000768153294 627463574 /nfs/dbraw/zinc/46/35/74/627463574.db2.gz CNZXSFSNXIVTNR-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO Cc1cccn2c(C[N@@H+](CCC#N)CC(C)C)cnc12 ZINC000768153344 627463647 /nfs/dbraw/zinc/46/36/47/627463647.db2.gz DMLGAEPZUZLJMA-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1cccn2c(C[N@H+](CCC#N)CC(C)C)cnc12 ZINC000768153344 627463650 /nfs/dbraw/zinc/46/36/50/627463650.db2.gz DMLGAEPZUZLJMA-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1cccn2c(CN(CCC#N)CC(C)C)c[nH+]c12 ZINC000768153344 627463653 /nfs/dbraw/zinc/46/36/53/627463653.db2.gz DMLGAEPZUZLJMA-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(C)cc(Br)c1 ZINC000774836311 628037206 /nfs/dbraw/zinc/03/72/06/628037206.db2.gz JXKOMXOXUYKCJH-UHFFFAOYSA-N 1 2 281.197 3.493 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(C)cc(Br)c1 ZINC000774836311 628037210 /nfs/dbraw/zinc/03/72/10/628037210.db2.gz JXKOMXOXUYKCJH-UHFFFAOYSA-N 1 2 281.197 3.493 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1F ZINC000776729142 628227898 /nfs/dbraw/zinc/22/78/98/628227898.db2.gz PZLKZFNPCMUATA-VOTSOKGWSA-N 1 2 291.285 3.241 20 30 CGEDLO NC(=[NH+]OCc1ccc(CF)cc1)c1ccc(F)cc1 ZINC000777538126 628279516 /nfs/dbraw/zinc/27/95/16/628279516.db2.gz GBKPEHYNXLMIIB-UHFFFAOYSA-N 1 2 276.286 3.132 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccnc(Cl)c1 ZINC000782195444 628623440 /nfs/dbraw/zinc/62/34/40/628623440.db2.gz YHZCNLHWTAIAHE-PLNGDYQASA-N 1 2 283.718 3.279 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805746576 628717625 /nfs/dbraw/zinc/71/76/25/628717625.db2.gz BCBHJDPDHUDIDE-LBPRGKRZSA-N 1 2 267.170 3.127 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000805746576 628717626 /nfs/dbraw/zinc/71/76/26/628717626.db2.gz BCBHJDPDHUDIDE-LBPRGKRZSA-N 1 2 267.170 3.127 20 30 CGEDLO Cc1ccc(F)cc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000783554663 628725322 /nfs/dbraw/zinc/72/53/22/628725322.db2.gz FMIOOVSSZWBOMZ-UHFFFAOYSA-N 1 2 276.286 3.110 20 30 CGEDLO C#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000787772302 629028853 /nfs/dbraw/zinc/02/88/53/629028853.db2.gz JIRCSBNEQIWYBD-UHFFFAOYSA-N 1 2 273.339 3.466 20 30 CGEDLO CCCCCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000875764508 634729980 /nfs/dbraw/zinc/72/99/80/634729980.db2.gz DFRNSSIZYYRQIG-AWEZNQCLSA-N 1 2 292.427 3.269 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccnc(F)c3)n2c1 ZINC000794722740 629572264 /nfs/dbraw/zinc/57/22/64/629572264.db2.gz UEGKFNWORHCSPD-ARJAWSKDSA-N 1 2 281.290 3.073 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000796583380 629803139 /nfs/dbraw/zinc/80/31/39/629803139.db2.gz HARKUEYJKUULSR-UHFFFAOYSA-N 1 2 268.763 3.090 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000796583380 629803144 /nfs/dbraw/zinc/80/31/44/629803144.db2.gz HARKUEYJKUULSR-UHFFFAOYSA-N 1 2 268.763 3.090 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)nc1C(F)(F)F ZINC000797601668 629968370 /nfs/dbraw/zinc/96/83/70/629968370.db2.gz LOABKLLBMCKADN-SSDOTTSWSA-N 1 2 277.677 3.146 20 30 CGEDLO CC[N@H+](C)[C@@H](C(=O)OCC#CC(C)(C)C)c1ccccc1 ZINC000798888644 630111777 /nfs/dbraw/zinc/11/17/77/630111777.db2.gz OWNJKPPNFHNHSU-MRXNPFEDSA-N 1 2 287.403 3.272 20 30 CGEDLO CC[N@@H+](C)[C@@H](C(=O)OCC#CC(C)(C)C)c1ccccc1 ZINC000798888644 630111781 /nfs/dbraw/zinc/11/17/81/630111781.db2.gz OWNJKPPNFHNHSU-MRXNPFEDSA-N 1 2 287.403 3.272 20 30 CGEDLO CCCON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842557525 630676445 /nfs/dbraw/zinc/67/64/45/630676445.db2.gz PAPLTTGZGHHHNZ-UHFFFAOYSA-N 1 2 275.396 3.135 20 30 CGEDLO Cc1cc(NCc2nc(C#N)cs2)ccc1[NH+](C)C ZINC000810149173 630846874 /nfs/dbraw/zinc/84/68/74/630846874.db2.gz AEDXHHYLGWFSEQ-UHFFFAOYSA-N 1 2 272.377 3.001 20 30 CGEDLO CCCCCCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891526 635505888 /nfs/dbraw/zinc/50/58/88/635505888.db2.gz VUSBPPTZNCNGSX-UHFFFAOYSA-N 1 2 290.407 3.422 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000811860036 631127714 /nfs/dbraw/zinc/12/77/14/631127714.db2.gz DTUJZZPSXQWZHJ-AWEZNQCLSA-N 1 2 294.443 3.216 20 30 CGEDLO Fc1ccc2c(c1)OCC2=NNc1cc[nH+]c2ccccc12 ZINC000814841193 631653147 /nfs/dbraw/zinc/65/31/47/631653147.db2.gz FYQVVGSGCTWFPK-UHFFFAOYSA-N 1 2 293.301 3.004 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000815280928 631753372 /nfs/dbraw/zinc/75/33/72/631753372.db2.gz VEORCRJLDKVYMO-CQSZACIVSA-N 1 2 286.419 3.266 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000815280928 631753376 /nfs/dbraw/zinc/75/33/76/631753376.db2.gz VEORCRJLDKVYMO-CQSZACIVSA-N 1 2 286.419 3.266 20 30 CGEDLO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866273452 633057635 /nfs/dbraw/zinc/05/76/35/633057635.db2.gz MQCWAGHYZWOJHN-NWDGAFQWSA-N 1 2 276.380 3.118 20 30 CGEDLO CCSCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866275481 633058769 /nfs/dbraw/zinc/05/87/69/633058769.db2.gz LAISXRUTIPZZBS-VXGBXAGGSA-N 1 2 278.421 3.446 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C1CCOCC1 ZINC000866277585 633061786 /nfs/dbraw/zinc/06/17/86/633061786.db2.gz NXZBHZWUKRVKDN-MLGOLLRUSA-N 1 2 288.391 3.120 20 30 CGEDLO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866361506 633101720 /nfs/dbraw/zinc/10/17/20/633101720.db2.gz OHPRXNCTMDVYCL-KGLIPLIRSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cscn1 ZINC000866389558 633116789 /nfs/dbraw/zinc/11/67/89/633116789.db2.gz VLIMVDZGGWCRMX-VHSXEESVSA-N 1 2 273.361 3.132 20 30 CGEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cscn1 ZINC000866389554 633117056 /nfs/dbraw/zinc/11/70/56/633117056.db2.gz VLIMVDZGGWCRMX-NXEZZACHSA-N 1 2 273.361 3.132 20 30 CGEDLO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866394964 633120951 /nfs/dbraw/zinc/12/09/51/633120951.db2.gz YTGYLBZIKPQJPA-NHYWBVRUSA-N 1 2 258.365 3.349 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000824196905 633211058 /nfs/dbraw/zinc/21/10/58/633211058.db2.gz ZYISRCWGTIOEKI-NXEZZACHSA-N 1 2 290.215 3.325 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000829082097 633689370 /nfs/dbraw/zinc/68/93/70/633689370.db2.gz XZZBDNVMWZSOHC-ZDUSSCGKSA-N 1 2 282.181 3.048 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000829082097 633689375 /nfs/dbraw/zinc/68/93/75/633689375.db2.gz XZZBDNVMWZSOHC-ZDUSSCGKSA-N 1 2 282.181 3.048 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000829527168 633747329 /nfs/dbraw/zinc/74/73/29/633747329.db2.gz ZBGZYEFCBMYROM-NVXWUHKLSA-N 1 2 297.402 3.343 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000829814834 633795543 /nfs/dbraw/zinc/79/55/43/633795543.db2.gz AIHWNEWGGLUZND-JTQLQIEISA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000829814834 633795546 /nfs/dbraw/zinc/79/55/46/633795546.db2.gz AIHWNEWGGLUZND-JTQLQIEISA-N 1 2 254.786 3.032 20 30 CGEDLO CCCCn1nc(C)c(C[NH+]2CCC(C#N)CC2)c1Cl ZINC000123688842 633797663 /nfs/dbraw/zinc/79/76/63/633797663.db2.gz HFKKIKCERAGKDQ-UHFFFAOYSA-N 1 2 294.830 3.381 20 30 CGEDLO O=[N+]([O-])c1cc(Cl)ccc1N[NH2+]C=C1CC1(F)F ZINC000834942424 634291855 /nfs/dbraw/zinc/29/18/55/634291855.db2.gz KBEHIMLEQBYLHF-ZCFIWIBFSA-N 1 2 275.642 3.301 20 30 CGEDLO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)c(Cl)c1 ZINC000835012710 634316982 /nfs/dbraw/zinc/31/69/82/634316982.db2.gz ZETLNWIATHFHBU-CQSZACIVSA-N 1 2 291.782 3.201 20 30 CGEDLO CN(C)c1ccc(F)cc1C[N@H+](CCC#N)CC1CC1 ZINC000876691230 634882361 /nfs/dbraw/zinc/88/23/61/634882361.db2.gz FIQIVDOYLHKIEU-UHFFFAOYSA-N 1 2 275.371 3.017 20 30 CGEDLO CN(C)c1ccc(F)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000876691230 634882364 /nfs/dbraw/zinc/88/23/64/634882364.db2.gz FIQIVDOYLHKIEU-UHFFFAOYSA-N 1 2 275.371 3.017 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OCC ZINC000877672254 635140789 /nfs/dbraw/zinc/14/07/89/635140789.db2.gz ZQYPLBCDSFVTIE-STQMWFEESA-N 1 2 271.788 3.007 20 30 CGEDLO CC1(F)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000879381283 635773184 /nfs/dbraw/zinc/77/31/84/635773184.db2.gz XGCBNKXZPFEJSN-UHFFFAOYSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443647 636000938 /nfs/dbraw/zinc/00/09/38/636000938.db2.gz HIVXSRJWDHULBT-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443647 636000942 /nfs/dbraw/zinc/00/09/42/636000942.db2.gz HIVXSRJWDHULBT-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C=CCc1ccccc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845440281 636036432 /nfs/dbraw/zinc/03/64/32/636036432.db2.gz QCLXHZLSVIGOEV-ZDUSSCGKSA-N 1 2 270.332 3.168 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000846980664 636298501 /nfs/dbraw/zinc/29/85/01/636298501.db2.gz SCXVOJQEKSSNPK-GFCCVEGCSA-N 1 2 281.197 3.088 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000846980664 636298506 /nfs/dbraw/zinc/29/85/06/636298506.db2.gz SCXVOJQEKSSNPK-GFCCVEGCSA-N 1 2 281.197 3.088 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000847032973 636319000 /nfs/dbraw/zinc/31/90/00/636319000.db2.gz ZKUBZQYHTPTLTC-GFCCVEGCSA-N 1 2 262.422 3.286 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000847032973 636319005 /nfs/dbraw/zinc/31/90/05/636319005.db2.gz ZKUBZQYHTPTLTC-GFCCVEGCSA-N 1 2 262.422 3.286 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC000847045294 636321714 /nfs/dbraw/zinc/32/17/14/636321714.db2.gz LKVCKWCMDJNTFV-LBPRGKRZSA-N 1 2 267.159 3.068 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC000847045294 636321718 /nfs/dbraw/zinc/32/17/18/636321718.db2.gz LKVCKWCMDJNTFV-LBPRGKRZSA-N 1 2 267.159 3.068 20 30 CGEDLO C#CCCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000847863829 636475955 /nfs/dbraw/zinc/47/59/55/636475955.db2.gz COKGFECZIVDLNV-NVXWUHKLSA-N 1 2 287.403 3.415 20 30 CGEDLO C#CCCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000847863829 636475956 /nfs/dbraw/zinc/47/59/56/636475956.db2.gz COKGFECZIVDLNV-NVXWUHKLSA-N 1 2 287.403 3.415 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(Cl)c(F)c1 ZINC000848417629 636573358 /nfs/dbraw/zinc/57/33/58/636573358.db2.gz CHBIZTLATHQFHS-UHFFFAOYSA-N 1 2 294.761 3.080 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCCOC(C)(C)C)c(O)c1 ZINC000849172413 636765096 /nfs/dbraw/zinc/76/50/96/636765096.db2.gz RSUGPHIEDLBYAQ-ATVHPVEESA-N 1 2 279.380 3.415 20 30 CGEDLO N#CCC[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1ccco1 ZINC000886030832 637376017 /nfs/dbraw/zinc/37/60/17/637376017.db2.gz VWCWWKYFAOIDGG-ZBFHGGJFSA-N 1 2 258.365 3.431 20 30 CGEDLO N#CCC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1ccco1 ZINC000886030832 637376024 /nfs/dbraw/zinc/37/60/24/637376024.db2.gz VWCWWKYFAOIDGG-ZBFHGGJFSA-N 1 2 258.365 3.431 20 30 CGEDLO CC(C)(C)c1nnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000852354462 637641416 /nfs/dbraw/zinc/64/14/16/637641416.db2.gz PVYOXFDKUGYIJV-UHFFFAOYSA-N 1 2 298.390 3.264 20 30 CGEDLO C[C@@H]1CCCCN1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000853379413 637828579 /nfs/dbraw/zinc/82/85/79/637828579.db2.gz IZNAYHWFBNJRHB-GFCCVEGCSA-N 1 2 274.393 3.142 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(CCC)c2=S)C1 ZINC000853537197 637864060 /nfs/dbraw/zinc/86/40/60/637864060.db2.gz QXXCBFYMJFLQRS-CQSZACIVSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C)n(CCC)c2=S)C1 ZINC000853537197 637864064 /nfs/dbraw/zinc/86/40/64/637864064.db2.gz QXXCBFYMJFLQRS-CQSZACIVSA-N 1 2 294.468 3.378 20 30 CGEDLO C=C1CCC(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000888491509 638225182 /nfs/dbraw/zinc/22/51/82/638225182.db2.gz CWMNTIKOHRGUDO-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(C#N)c1O ZINC000925095689 638449645 /nfs/dbraw/zinc/44/96/45/638449645.db2.gz KTWITCSNPLPLJA-GXFFZTMASA-N 1 2 264.394 3.056 20 30 CGEDLO CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926468996 638774252 /nfs/dbraw/zinc/77/42/52/638774252.db2.gz KWOZXEQTOFFHLM-CYBMUJFWSA-N 1 2 280.318 3.350 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](C)CCN1CCCCC1(C#N)CCC1 ZINC000930573710 639029185 /nfs/dbraw/zinc/02/91/85/639029185.db2.gz AIWVCFBQTBWFFU-INIZCTEOSA-N 1 2 277.456 3.123 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](C)CCN1CCCCC1(C#N)CCC1 ZINC000930573710 639029190 /nfs/dbraw/zinc/02/91/90/639029190.db2.gz AIWVCFBQTBWFFU-INIZCTEOSA-N 1 2 277.456 3.123 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H](C)C1(F)F ZINC000859412858 639138108 /nfs/dbraw/zinc/13/81/08/639138108.db2.gz ZEUZVFPBLKJLHH-PHIMTYICSA-N 1 2 282.309 3.420 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@H](C)C1(F)F ZINC000859412858 639138110 /nfs/dbraw/zinc/13/81/10/639138110.db2.gz ZEUZVFPBLKJLHH-PHIMTYICSA-N 1 2 282.309 3.420 20 30 CGEDLO C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000079316086 640392774 /nfs/dbraw/zinc/39/27/74/640392774.db2.gz QSARLDZTCPEIHP-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000079316086 640392780 /nfs/dbraw/zinc/39/27/80/640392780.db2.gz QSARLDZTCPEIHP-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008448965 640950926 /nfs/dbraw/zinc/95/09/26/640950926.db2.gz MTZWPNVOTMOKMN-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008448965 640950930 /nfs/dbraw/zinc/95/09/30/640950930.db2.gz MTZWPNVOTMOKMN-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001009566543 640960142 /nfs/dbraw/zinc/96/01/42/640960142.db2.gz URJJUXZZEXTPSY-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001009566543 640960148 /nfs/dbraw/zinc/96/01/48/640960148.db2.gz URJJUXZZEXTPSY-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO COc1ccc(CCCNc2[nH+]cc(C)cc2/C=N/O)cc1 ZINC001156168752 805661845 /nfs/dbraw/zinc/66/18/45/805661845.db2.gz KQFNBZZCESFBDO-UDWIEESQSA-N 1 2 299.374 3.251 20 30 CGEDLO COCc1cc[nH+]c(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001156429861 805690167 /nfs/dbraw/zinc/69/01/67/805690167.db2.gz IQVHBWKOKMRAOZ-UHFFFAOYSA-N 1 2 281.359 3.447 20 30 CGEDLO Cc1nc(NC(C)(C)c2ccc(C#N)cc2)c2c([nH+]1)CCC2 ZINC001156430853 805691292 /nfs/dbraw/zinc/69/12/92/805691292.db2.gz QNISMJIKMWIUPM-UHFFFAOYSA-N 1 2 292.386 3.493 20 30 CGEDLO Cc1nc(N2CCC[C@@H](CC#N)C2)cc(C(C)C)[nH+]1 ZINC001166740242 807088000 /nfs/dbraw/zinc/08/80/00/807088000.db2.gz GSMSQFSZWYVKNP-ZDUSSCGKSA-N 1 2 258.369 3.039 20 30 CGEDLO C=CCN(c1nc(NCC2CC2)c(C)c[nH+]1)C(C)(C)C ZINC001157583176 805839289 /nfs/dbraw/zinc/83/92/89/805839289.db2.gz OEJJHMNHJLOQTQ-UHFFFAOYSA-N 1 2 274.412 3.398 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H]2CCCc3cccnc32)c1 ZINC001157846498 805885936 /nfs/dbraw/zinc/88/59/36/805885936.db2.gz COYBGGMJRQRDTE-AWEZNQCLSA-N 1 2 264.332 3.032 20 30 CGEDLO CC(C)OCCCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001157870721 805889857 /nfs/dbraw/zinc/88/98/57/805889857.db2.gz PYWREOHEGJBYAL-UHFFFAOYSA-N 1 2 269.348 3.333 20 30 CGEDLO Cc1cc(NCC(C)(C)S)nc(C(C)(C)C)[nH+]1 ZINC001159269830 806072027 /nfs/dbraw/zinc/07/20/27/806072027.db2.gz WHRNCFOYFORMIQ-UHFFFAOYSA-N 1 2 253.415 3.203 20 30 CGEDLO CSCc1ccc(NCCOc2ccc(C#N)cc2)[nH+]c1 ZINC001160287591 806250552 /nfs/dbraw/zinc/25/05/52/806250552.db2.gz OMGZFFXLPRCHTD-UHFFFAOYSA-N 1 2 299.399 3.307 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3nccc(F)c3C#N)c[nH+]c12 ZINC001160686263 806296536 /nfs/dbraw/zinc/29/65/36/806296536.db2.gz CJTQWNOBXAXMFA-NSHDSACASA-N 1 2 295.321 3.222 20 30 CGEDLO CC(C)[C@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253765153 806301567 /nfs/dbraw/zinc/30/15/67/806301567.db2.gz PHIYYMSNXRCNPX-OAHLLOKOSA-N 1 2 280.799 3.073 20 30 CGEDLO CC(C)[C@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253765153 806301577 /nfs/dbraw/zinc/30/15/77/806301577.db2.gz PHIYYMSNXRCNPX-OAHLLOKOSA-N 1 2 280.799 3.073 20 30 CGEDLO Cn1c[nH+]c2ccc(N[C@@H](C#N)c3ccccc3)cc21 ZINC001161718814 806431914 /nfs/dbraw/zinc/43/19/14/806431914.db2.gz UDTYUZOSMZYSNH-HNNXBMFYSA-N 1 2 262.316 3.250 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC001255159780 806558148 /nfs/dbraw/zinc/55/81/48/806558148.db2.gz BOXNAJAPGGZBMM-ZYHUDNBSSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001255173279 806566289 /nfs/dbraw/zinc/56/62/89/806566289.db2.gz KHYGQYWDIMYQFL-HZSPNIEDSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001255173279 806566294 /nfs/dbraw/zinc/56/62/94/806566294.db2.gz KHYGQYWDIMYQFL-HZSPNIEDSA-N 1 2 295.427 3.056 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc(N)cc3)c2c1 ZINC001162783874 806664932 /nfs/dbraw/zinc/66/49/32/806664932.db2.gz BTOFXYYGEFEBLK-UHFFFAOYSA-N 1 2 274.327 3.301 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(C)nc1 ZINC001162865375 806676773 /nfs/dbraw/zinc/67/67/73/806676773.db2.gz IQXURBVGROWIGV-UHFFFAOYSA-N 1 2 253.349 3.434 20 30 CGEDLO Cc1[nH+]c(NC2(C#N)Cc3ccccc3C2)cc2[nH]ccc21 ZINC001163003445 806692342 /nfs/dbraw/zinc/69/23/42/806692342.db2.gz RUERJUTURMCLIT-UHFFFAOYSA-N 1 2 288.354 3.344 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CCCCCCCC)CC1 ZINC000162677603 799081032 /nfs/dbraw/zinc/08/10/32/799081032.db2.gz PEVHDYOWXBJZEF-UHFFFAOYSA-N 1 2 266.429 3.067 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OC ZINC001255783538 806749224 /nfs/dbraw/zinc/74/92/24/806749224.db2.gz HXHJFOLKYXRNCB-RHSMWYFYSA-N 1 2 275.392 3.023 20 30 CGEDLO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCC#N)cc1 ZINC000447128968 799619836 /nfs/dbraw/zinc/61/98/36/799619836.db2.gz QNJXPWVPJPAOIT-UHFFFAOYSA-N 1 2 292.386 3.466 20 30 CGEDLO Cc1cc(CNc2cccc(F)c2C#N)cc(C)[nH+]1 ZINC001163531473 806777451 /nfs/dbraw/zinc/77/74/51/806777451.db2.gz SCMUBRNMWVQEQO-UHFFFAOYSA-N 1 2 255.296 3.321 20 30 CGEDLO Cc1ccc(NC(=N)c2ccc(C(F)(F)F)cc2)[nH+]c1N ZINC001163680252 806799494 /nfs/dbraw/zinc/79/94/94/806799494.db2.gz OKAALDXPFSKHIH-UHFFFAOYSA-N 1 2 294.280 3.028 20 30 CGEDLO Cc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1N ZINC001163680252 806799498 /nfs/dbraw/zinc/79/94/98/806799498.db2.gz OKAALDXPFSKHIH-UHFFFAOYSA-N 1 2 294.280 3.028 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270510 800837910 /nfs/dbraw/zinc/83/79/10/800837910.db2.gz LREOOPIKDGLSOT-QEJZJMRPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270510 800837917 /nfs/dbraw/zinc/83/79/17/800837917.db2.gz LREOOPIKDGLSOT-QEJZJMRPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001031787717 800914825 /nfs/dbraw/zinc/91/48/25/800914825.db2.gz ICAMTIMZXXRSKQ-HUUCEWRRSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355558 800960497 /nfs/dbraw/zinc/96/04/97/800960497.db2.gz LDSMVFVFDIEXKG-AWEZNQCLSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355558 800960504 /nfs/dbraw/zinc/96/05/04/800960504.db2.gz LDSMVFVFDIEXKG-AWEZNQCLSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035661084 801058384 /nfs/dbraw/zinc/05/83/84/801058384.db2.gz ZQXIBJDRKPGLJL-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039427155 801162267 /nfs/dbraw/zinc/16/22/67/801162267.db2.gz KUJSPELFBMEJPK-KGLIPLIRSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039427155 801162272 /nfs/dbraw/zinc/16/22/72/801162272.db2.gz KUJSPELFBMEJPK-KGLIPLIRSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2CCCCCCC2)C1 ZINC001043298220 801218181 /nfs/dbraw/zinc/21/81/81/801218181.db2.gz JPNOAHAKLWKEKS-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001044059176 801228285 /nfs/dbraw/zinc/22/82/85/801228285.db2.gz LVHFCOGNNBDPSK-GJZGRUSLSA-N 1 2 292.467 3.168 20 30 CGEDLO CCOC1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001256434243 806898554 /nfs/dbraw/zinc/89/85/54/806898554.db2.gz IMCQYGPAWFKBNO-YMAMQOFZSA-N 1 2 252.402 3.252 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C/C=C/Cl)CC1 ZINC001085802139 801706283 /nfs/dbraw/zinc/70/62/83/801706283.db2.gz MBPRGTMDHYVLIC-RUFWOKOUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C/C=C/Cl)CC1 ZINC001085802139 801706286 /nfs/dbraw/zinc/70/62/86/801706286.db2.gz MBPRGTMDHYVLIC-RUFWOKOUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CC1)C2 ZINC001110923590 802150865 /nfs/dbraw/zinc/15/08/65/802150865.db2.gz ZVAREEGEROYKIB-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CC1)C2 ZINC001110923590 802150867 /nfs/dbraw/zinc/15/08/67/802150867.db2.gz ZVAREEGEROYKIB-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001111194310 802156715 /nfs/dbraw/zinc/15/67/15/802156715.db2.gz XMJHZQMEFJQMEU-YJNKXOJESA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001111194310 802156719 /nfs/dbraw/zinc/15/67/19/802156719.db2.gz XMJHZQMEFJQMEU-YJNKXOJESA-N 1 2 298.858 3.287 20 30 CGEDLO Cc1cccn2c(CNc3ccc(OCC#N)cc3)c[nH+]c12 ZINC001116447956 802354613 /nfs/dbraw/zinc/35/46/13/802354613.db2.gz CNKXHXMBQOETIZ-UHFFFAOYSA-N 1 2 292.342 3.157 20 30 CGEDLO CC(C)([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC001119439073 802664943 /nfs/dbraw/zinc/66/49/43/802664943.db2.gz PXZXBASGSXBLQC-UHFFFAOYSA-N 1 2 250.292 3.093 20 30 CGEDLO Cc1cccn2c(CN(CC#N)Cc3ccccc3)c[nH+]c12 ZINC001136965502 803663607 /nfs/dbraw/zinc/66/36/07/803663607.db2.gz QTCPEUISUJKSSJ-UHFFFAOYSA-N 1 2 290.370 3.169 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(C)ccc1Br ZINC001137384257 803727251 /nfs/dbraw/zinc/72/72/51/803727251.db2.gz CAMJBNJXZFXPAH-UHFFFAOYSA-N 1 2 254.171 3.375 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(C)ccc1Br ZINC001137384257 803727255 /nfs/dbraw/zinc/72/72/55/803727255.db2.gz CAMJBNJXZFXPAH-UHFFFAOYSA-N 1 2 254.171 3.375 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(C#N)c1 ZINC001137703858 803760572 /nfs/dbraw/zinc/76/05/72/803760572.db2.gz WVFNJTSBLSPBQO-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(C#N)c1 ZINC001137703858 803760575 /nfs/dbraw/zinc/76/05/75/803760575.db2.gz WVFNJTSBLSPBQO-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO N#Cc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2F)cc1 ZINC001245497660 803768511 /nfs/dbraw/zinc/76/85/11/803768511.db2.gz MTAPJWKLKZTGNX-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cccnc1F ZINC001138793008 804040517 /nfs/dbraw/zinc/04/05/17/804040517.db2.gz FHJDEAZOUQDWNY-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cccnc1F ZINC001138793008 804040522 /nfs/dbraw/zinc/04/05/22/804040522.db2.gz FHJDEAZOUQDWNY-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccccc1OC(F)F ZINC001138908826 804070953 /nfs/dbraw/zinc/07/09/53/804070953.db2.gz QEGVHZMNXOTTRY-UHFFFAOYSA-N 1 2 268.307 3.414 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccccc1OC(F)F ZINC001138908826 804070962 /nfs/dbraw/zinc/07/09/62/804070962.db2.gz QEGVHZMNXOTTRY-UHFFFAOYSA-N 1 2 268.307 3.414 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ncc(Br)cc1OC ZINC001139087589 804124897 /nfs/dbraw/zinc/12/48/97/804124897.db2.gz GDQTUDSGHSMVOT-UHFFFAOYSA-N 1 2 297.196 3.027 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(Cl)n1)C1CCCC1 ZINC001139551087 804204831 /nfs/dbraw/zinc/20/48/31/804204831.db2.gz YEVJSGAPEAIGRG-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(Cl)n1)C1CCCC1 ZINC001139551087 804204838 /nfs/dbraw/zinc/20/48/38/804204838.db2.gz YEVJSGAPEAIGRG-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1CC ZINC001139623435 804234525 /nfs/dbraw/zinc/23/45/25/804234525.db2.gz INKISALEFBILLS-HNNXBMFYSA-N 1 2 272.392 3.383 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1CC ZINC001139623435 804234531 /nfs/dbraw/zinc/23/45/31/804234531.db2.gz INKISALEFBILLS-HNNXBMFYSA-N 1 2 272.392 3.383 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001140108717 804380340 /nfs/dbraw/zinc/38/03/40/804380340.db2.gz LHKDDUXYSWZRAQ-OJNYZHBWSA-N 1 2 295.308 3.367 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)ccn1 ZINC001140108717 804380348 /nfs/dbraw/zinc/38/03/48/804380348.db2.gz LHKDDUXYSWZRAQ-OJNYZHBWSA-N 1 2 295.308 3.367 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC001140794776 804517476 /nfs/dbraw/zinc/51/74/76/804517476.db2.gz ZBSYBOHRAUAAAW-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC001140794776 804517477 /nfs/dbraw/zinc/51/74/77/804517477.db2.gz ZBSYBOHRAUAAAW-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO N#Cc1c(N)sc(C[N@@H+]2CCCC[C@H](F)C2)c1Cl ZINC001141107108 804592150 /nfs/dbraw/zinc/59/21/50/804592150.db2.gz PYQIDKRFAFWWHJ-QMMMGPOBSA-N 1 2 287.791 3.179 20 30 CGEDLO N#Cc1c(N)sc(C[N@H+]2CCCC[C@H](F)C2)c1Cl ZINC001141107108 804592151 /nfs/dbraw/zinc/59/21/51/804592151.db2.gz PYQIDKRFAFWWHJ-QMMMGPOBSA-N 1 2 287.791 3.179 20 30 CGEDLO C=CC[N@@H+](C)Cc1c(F)ccc(Br)c1OC ZINC001142893601 804780636 /nfs/dbraw/zinc/78/06/36/804780636.db2.gz YBDYBQCHJOQFHW-UHFFFAOYSA-N 1 2 288.160 3.215 20 30 CGEDLO C=CC[N@H+](C)Cc1c(F)ccc(Br)c1OC ZINC001142893601 804780640 /nfs/dbraw/zinc/78/06/40/804780640.db2.gz YBDYBQCHJOQFHW-UHFFFAOYSA-N 1 2 288.160 3.215 20 30 CGEDLO C=C1CC(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001247741544 804812330 /nfs/dbraw/zinc/81/23/30/804812330.db2.gz CUPXHZQPGUMJDL-UHFFFAOYSA-N 1 2 278.315 3.356 20 30 CGEDLO N#Cc1ccc(F)c(C[NH+]2CC(c3ccccc3)C2)c1F ZINC001143174776 804815996 /nfs/dbraw/zinc/81/59/96/804815996.db2.gz YHMLARWFQGOPIB-UHFFFAOYSA-N 1 2 284.309 3.436 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)cc1C(F)(F)F ZINC001143479567 804857811 /nfs/dbraw/zinc/85/78/11/804857811.db2.gz ZSDUJRYHMBUZRK-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)cc1C(F)(F)F ZINC001143479567 804857815 /nfs/dbraw/zinc/85/78/15/804857815.db2.gz ZSDUJRYHMBUZRK-UHFFFAOYSA-N 1 2 286.297 3.450 20 30 CGEDLO CCC[N@H+](CCOC)Cc1c(Cl)cccc1C#N ZINC001143716787 804887734 /nfs/dbraw/zinc/88/77/34/804887734.db2.gz VWFRUHWUQHLPKY-UHFFFAOYSA-N 1 2 266.772 3.070 20 30 CGEDLO CCC[N@@H+](CCOC)Cc1c(Cl)cccc1C#N ZINC001143716787 804887741 /nfs/dbraw/zinc/88/77/41/804887741.db2.gz VWFRUHWUQHLPKY-UHFFFAOYSA-N 1 2 266.772 3.070 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001143719229 804888412 /nfs/dbraw/zinc/88/84/12/804888412.db2.gz UDOMGCRYQFLYCN-INIZCTEOSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001143719229 804888420 /nfs/dbraw/zinc/88/84/20/804888420.db2.gz UDOMGCRYQFLYCN-INIZCTEOSA-N 1 2 290.794 3.357 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131421 804941688 /nfs/dbraw/zinc/94/16/88/804941688.db2.gz ZPBMKCYYROUADT-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131421 804941693 /nfs/dbraw/zinc/94/16/93/804941693.db2.gz ZPBMKCYYROUADT-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO CC(C)Sc1nccc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC001248832177 805011044 /nfs/dbraw/zinc/01/10/44/805011044.db2.gz DOIUJPAGCBTATQ-CYBMUJFWSA-N 1 2 290.436 3.103 20 30 CGEDLO CC(C)Sc1nccc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC001248832177 805011053 /nfs/dbraw/zinc/01/10/53/805011053.db2.gz DOIUJPAGCBTATQ-CYBMUJFWSA-N 1 2 290.436 3.103 20 30 CGEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1Cl ZINC001249931716 805312033 /nfs/dbraw/zinc/31/20/33/805312033.db2.gz WZTKLKRTSFANQN-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1Cl ZINC001249931716 805312041 /nfs/dbraw/zinc/31/20/41/805312041.db2.gz WZTKLKRTSFANQN-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO C#Cc1cc(Nc2c(C)c(F)ccc2SC)cc[nH+]1 ZINC001250131831 805433359 /nfs/dbraw/zinc/43/33/59/805433359.db2.gz PIWGBARNALZYBP-UHFFFAOYSA-N 1 2 272.348 3.398 20 30 CGEDLO Cc1oncc1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001154884348 805502986 /nfs/dbraw/zinc/50/29/86/805502986.db2.gz NFFVIPNVHIFHFL-UHFFFAOYSA-N 1 2 264.288 3.015 20 30 CGEDLO Cn1cc(CNc2cc(CC#N)cc[nH+]2)c2ccccc21 ZINC001155286803 805569094 /nfs/dbraw/zinc/56/90/94/805569094.db2.gz QQESCGINSWSQOZ-UHFFFAOYSA-N 1 2 276.343 3.251 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccc(OCC#N)cc3)ccc21 ZINC001212609286 815084851 /nfs/dbraw/zinc/08/48/51/815084851.db2.gz FBRVXYZTZVWNBN-UHFFFAOYSA-N 1 2 278.315 3.219 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCCCCC)C(=O)OCC ZINC001257361415 807124918 /nfs/dbraw/zinc/12/49/18/807124918.db2.gz KWXACJXIFFVJQD-IIAWOOMASA-N 1 2 267.413 3.443 20 30 CGEDLO C[C@H](Nc1[nH+]cnc2[nH]cc(F)c21)c1cccc(C#N)c1 ZINC001167708533 807231409 /nfs/dbraw/zinc/23/14/09/807231409.db2.gz HDYLBMHMGUQHOC-VIFPVBQESA-N 1 2 281.294 3.142 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257877638 807233939 /nfs/dbraw/zinc/23/39/39/807233939.db2.gz SEIWCYCUSHKPLD-UHFFFAOYSA-N 1 2 252.402 3.395 20 30 CGEDLO Cc1nc(C#N)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694370 815104982 /nfs/dbraw/zinc/10/49/82/815104982.db2.gz YFJLKNJVDJBYQY-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258059827 807282361 /nfs/dbraw/zinc/28/23/61/807282361.db2.gz IPPQTHKYESFUND-KGLIPLIRSA-N 1 2 252.402 3.110 20 30 CGEDLO C=CCC[C@H](C)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001258736235 807581904 /nfs/dbraw/zinc/58/19/04/807581904.db2.gz OURMEZZETHGHAS-KBPBESRZSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@H](C)[N@@H+]1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001258736235 807581909 /nfs/dbraw/zinc/58/19/09/807581909.db2.gz OURMEZZETHGHAS-KBPBESRZSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@H](C)[N@H+]1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001258736235 807581914 /nfs/dbraw/zinc/58/19/14/807581914.db2.gz OURMEZZETHGHAS-KBPBESRZSA-N 1 2 272.383 3.147 20 30 CGEDLO N#CCc1ccc[nH+]c1N[C@@H]1CCCC(F)(F)C1 ZINC001169212190 807603527 /nfs/dbraw/zinc/60/35/27/807603527.db2.gz JMQNXCKMILNXFF-LLVKDONJSA-N 1 2 251.280 3.137 20 30 CGEDLO C/C(=C\C=C\[NH3+])N[C@@](C)(C#N)c1ccccc1Cl ZINC001169380980 807635929 /nfs/dbraw/zinc/63/59/29/807635929.db2.gz LQNDHBJLEDCMCE-PGZYAMMVSA-N 1 2 261.756 3.045 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC001169845887 807715813 /nfs/dbraw/zinc/71/58/13/807715813.db2.gz YAVGZJOECVFBLE-ZDUSSCGKSA-N 1 2 291.354 3.343 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC001169845887 807715821 /nfs/dbraw/zinc/71/58/21/807715821.db2.gz YAVGZJOECVFBLE-ZDUSSCGKSA-N 1 2 291.354 3.343 20 30 CGEDLO C=CCCCNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001170301654 807821774 /nfs/dbraw/zinc/82/17/74/807821774.db2.gz AJGAIZLKMSNCOI-UHFFFAOYSA-N 1 2 262.353 3.018 20 30 CGEDLO COc1c(C)[nH+]c(C2CC2)nc1NCC#Cc1ccccc1 ZINC001170427338 807839857 /nfs/dbraw/zinc/83/98/57/807839857.db2.gz NRAWWVISAPOWFN-UHFFFAOYSA-N 1 2 293.370 3.135 20 30 CGEDLO N#C[C@H]1CC=C(Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC001212855549 815160264 /nfs/dbraw/zinc/16/02/64/815160264.db2.gz ZERYCIJIJKKREL-ZDUSSCGKSA-N 1 2 268.364 3.301 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001263722615 807997848 /nfs/dbraw/zinc/99/78/48/807997848.db2.gz ABUMWINYKVIBEQ-ZDUSSCGKSA-N 1 2 290.411 3.057 20 30 CGEDLO CC[C@H](C)OCC[C@@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172323656 808233085 /nfs/dbraw/zinc/23/30/85/808233085.db2.gz CSZNCWNXMZBSOR-KGLIPLIRSA-N 1 2 252.402 3.396 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCCC(C)(C)C ZINC001267198037 808379591 /nfs/dbraw/zinc/37/95/91/808379591.db2.gz BHQSHMFYVYLXAB-UHFFFAOYSA-N 1 2 288.863 3.393 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCCC(C)(C)C ZINC001267198037 808379598 /nfs/dbraw/zinc/37/95/98/808379598.db2.gz BHQSHMFYVYLXAB-UHFFFAOYSA-N 1 2 288.863 3.393 20 30 CGEDLO CC1(C)CC([NH2+]C2(C#N)CCCC2)CC(C)(C)O1 ZINC001172645782 808408206 /nfs/dbraw/zinc/40/82/06/808408206.db2.gz AGAFPCXCNVQPMD-UHFFFAOYSA-N 1 2 250.386 3.149 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1F ZINC001213031447 815204433 /nfs/dbraw/zinc/20/44/33/815204433.db2.gz AGXQHXCDWNGZEH-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001172857541 808464269 /nfs/dbraw/zinc/46/42/69/808464269.db2.gz WOMZHJWKJOFXCO-IINYFYTJSA-N 1 2 299.773 3.117 20 30 CGEDLO CCCOC1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001173090106 808505593 /nfs/dbraw/zinc/50/55/93/808505593.db2.gz RRALYCSKIFZJNJ-UHFFFAOYSA-N 1 2 250.386 3.150 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1ccc(CC)cc1)C(=O)OC ZINC001173253936 808560648 /nfs/dbraw/zinc/56/06/48/808560648.db2.gz YMQMSTSQSASQKE-KBXCAEBGSA-N 1 2 289.419 3.277 20 30 CGEDLO CCCCCCCC[C@H](CCC)[NH2+][C@H](CO)C(=O)OC ZINC001173309063 808605059 /nfs/dbraw/zinc/60/50/59/808605059.db2.gz FLJSTVMEPWFRAE-LSDHHAIUSA-N 1 2 287.444 3.029 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CC(C)(C)C1CC1 ZINC001268730026 808618720 /nfs/dbraw/zinc/61/87/20/808618720.db2.gz QYRMDARHYRXLJK-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CC(C)(C)C1CC1 ZINC001268730026 808618722 /nfs/dbraw/zinc/61/87/22/808618722.db2.gz QYRMDARHYRXLJK-LBPRGKRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001268753125 808623985 /nfs/dbraw/zinc/62/39/85/808623985.db2.gz OYCDMRFVEAHTGQ-JSGCOSHPSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001268753125 808623989 /nfs/dbraw/zinc/62/39/89/808623989.db2.gz OYCDMRFVEAHTGQ-JSGCOSHPSA-N 1 2 288.863 3.248 20 30 CGEDLO CCOC(=O)[C@H]1CC12CCC([NH2+]C(C#N)(CC)CC)CC2 ZINC001173609537 808652581 /nfs/dbraw/zinc/65/25/81/808652581.db2.gz VEESQFCTCSONBN-NPCAHTBFSA-N 1 2 292.423 3.170 20 30 CGEDLO N#Cc1ncccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086719 815230362 /nfs/dbraw/zinc/23/03/62/815230362.db2.gz WPFSUARGUPZKEJ-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(O)c1 ZINC001213091159 815231498 /nfs/dbraw/zinc/23/14/98/815231498.db2.gz ZAMMUDNFMWGFQK-UHFFFAOYSA-N 1 2 276.299 3.398 20 30 CGEDLO Cc1noc(N=C2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001174392550 808991355 /nfs/dbraw/zinc/99/13/55/808991355.db2.gz FMZMKEYWENPSSM-UHFFFAOYSA-N 1 2 294.358 3.056 20 30 CGEDLO Cc1noc(N=C2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001174392550 808991364 /nfs/dbraw/zinc/99/13/64/808991364.db2.gz FMZMKEYWENPSSM-UHFFFAOYSA-N 1 2 294.358 3.056 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001284131674 809297805 /nfs/dbraw/zinc/29/78/05/809297805.db2.gz NOAWOEURTZJCSZ-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001284131674 809297808 /nfs/dbraw/zinc/29/78/08/809297808.db2.gz NOAWOEURTZJCSZ-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO Cc1ccc(C#N)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175344415 809370159 /nfs/dbraw/zinc/37/01/59/809370159.db2.gz YGZVXGPXVJSRBL-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(O)c1 ZINC001175714381 809517856 /nfs/dbraw/zinc/51/78/56/809517856.db2.gz OPCQIDFGZCCZHZ-UHFFFAOYSA-N 1 2 294.236 3.003 20 30 CGEDLO C#Cc1cccc(Nc2ccc(N(C)CC)[nH+]c2)c1 ZINC001175974221 809588962 /nfs/dbraw/zinc/58/89/62/809588962.db2.gz RCXZZSCASFCLGV-UHFFFAOYSA-N 1 2 251.333 3.263 20 30 CGEDLO COC(=O)c1cc(C#N)cc(Nc2c[nH+]cc(C)c2C)c1 ZINC001213533939 815301299 /nfs/dbraw/zinc/30/12/99/815301299.db2.gz CXYBUVNAVGAVCA-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO N#Cc1cc(-c2ccccc2)oc1Nc1[nH]cc[nH+]1 ZINC001176079938 809617397 /nfs/dbraw/zinc/61/73/97/809617397.db2.gz MQCNAKXIHVUYIK-UHFFFAOYSA-N 1 2 250.261 3.285 20 30 CGEDLO Cc1cc([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)n[nH]1 ZINC001176484628 809705674 /nfs/dbraw/zinc/70/56/74/809705674.db2.gz IPOIYVXBNHESOA-CQSZACIVSA-N 1 2 260.385 3.185 20 30 CGEDLO Cc1cc([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)n[nH]1 ZINC001176484628 809705677 /nfs/dbraw/zinc/70/56/77/809705677.db2.gz IPOIYVXBNHESOA-CQSZACIVSA-N 1 2 260.385 3.185 20 30 CGEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001178692153 809883326 /nfs/dbraw/zinc/88/33/26/809883326.db2.gz WXFUBHKTVBDXSQ-CYBMUJFWSA-N 1 2 299.399 3.196 20 30 CGEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001178692153 809883329 /nfs/dbraw/zinc/88/33/29/809883329.db2.gz WXFUBHKTVBDXSQ-CYBMUJFWSA-N 1 2 299.399 3.196 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccncc1F ZINC001179997840 809966536 /nfs/dbraw/zinc/96/65/36/809966536.db2.gz YRDXYKISBMPTAU-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccncc1F ZINC001179997840 809966541 /nfs/dbraw/zinc/96/65/41/809966541.db2.gz YRDXYKISBMPTAU-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C#Cc1cc(Nc2cccc(OC)c2C2CC2)cc[nH+]1 ZINC001213797183 815333499 /nfs/dbraw/zinc/33/34/99/815333499.db2.gz PNZLLQVTKXMPBJ-UHFFFAOYSA-N 1 2 264.328 3.114 20 30 CGEDLO C#Cc1cc(Nc2ccc(N3CCCCC3)cc2F)cc[nH+]1 ZINC001213835438 815337618 /nfs/dbraw/zinc/33/76/18/815337618.db2.gz WZSQPMSUHNAXII-UHFFFAOYSA-N 1 2 295.361 3.358 20 30 CGEDLO C#CCCCCCCCCC(=O)N1CC[NH+](CC=C)CC1 ZINC001182186793 810097365 /nfs/dbraw/zinc/09/73/65/810097365.db2.gz ZBRQBVSJJBRIST-UHFFFAOYSA-N 1 2 290.451 3.071 20 30 CGEDLO C#Cc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001191102125 810676275 /nfs/dbraw/zinc/67/62/75/810676275.db2.gz YKZYMRWHFNHMDQ-UHFFFAOYSA-N 1 2 287.322 3.106 20 30 CGEDLO Cc1nnc(C[N@H+](Cc2ccc(C)c(C#N)c2)C(C)(C)C)o1 ZINC001191731259 810734414 /nfs/dbraw/zinc/73/44/14/810734414.db2.gz MQDFBSIVWMSKER-UHFFFAOYSA-N 1 2 298.390 3.359 20 30 CGEDLO Cc1nnc(C[N@@H+](Cc2ccc(C)c(C#N)c2)C(C)(C)C)o1 ZINC001191731259 810734417 /nfs/dbraw/zinc/73/44/17/810734417.db2.gz MQDFBSIVWMSKER-UHFFFAOYSA-N 1 2 298.390 3.359 20 30 CGEDLO CCCCCCCOC(=O)NCC[N@@H+]1CCC[C@H](F)C1 ZINC001194019387 811003608 /nfs/dbraw/zinc/00/36/08/811003608.db2.gz JYXIDESIPNQSRR-AWEZNQCLSA-N 1 2 288.407 3.117 20 30 CGEDLO CCCCCCCOC(=O)NCC[N@H+]1CCC[C@H](F)C1 ZINC001194019387 811003612 /nfs/dbraw/zinc/00/36/12/811003612.db2.gz JYXIDESIPNQSRR-AWEZNQCLSA-N 1 2 288.407 3.117 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(C#N)ccc1F ZINC001214592910 815428100 /nfs/dbraw/zinc/42/81/00/815428100.db2.gz SRZNMPBEIAVXIS-UHFFFAOYSA-N 1 2 257.268 3.235 20 30 CGEDLO CCOc1cc(Nc2cc(C#N)ccc2OC)cc(C)[nH+]1 ZINC001201579696 811911351 /nfs/dbraw/zinc/91/13/51/811911351.db2.gz ARWCVBXFEQFHEI-UHFFFAOYSA-N 1 2 283.331 3.413 20 30 CGEDLO COc1ccc(C#N)cc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001201585275 811914257 /nfs/dbraw/zinc/91/42/57/811914257.db2.gz HMROHHGISFAFMI-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO Cc1ccc(Nc2c(C#N)cnn2C(C)(C)C)c(C)[nH+]1 ZINC001203363476 812324466 /nfs/dbraw/zinc/32/44/66/812324466.db2.gz SKGUJOKJPKYFMT-UHFFFAOYSA-N 1 2 269.352 3.265 20 30 CGEDLO CNc1ccc(Nc2onc(C(C)(C)C)c2C#N)c[nH+]1 ZINC001203449147 812361834 /nfs/dbraw/zinc/36/18/34/812361834.db2.gz BBFIBFHEGOMKFY-UHFFFAOYSA-N 1 2 271.324 3.024 20 30 CGEDLO COC(=O)c1scc(C#N)c1Nc1cc(C)c[nH+]c1C ZINC001203656046 812416885 /nfs/dbraw/zinc/41/68/85/812416885.db2.gz IXCBISPKKDKNEU-UHFFFAOYSA-N 1 2 287.344 3.162 20 30 CGEDLO C=CCn1cc2ccc(NCc3c[nH+]cn3CCC)cc2n1 ZINC001203810737 812468909 /nfs/dbraw/zinc/46/89/09/812468909.db2.gz WHGQSXKCRYACPO-UHFFFAOYSA-N 1 2 295.390 3.441 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411834 813559112 /nfs/dbraw/zinc/55/91/12/813559112.db2.gz UHLKMYARQIPCBS-GOEBONIOSA-N 1 2 278.440 3.498 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411834 813559117 /nfs/dbraw/zinc/55/91/17/813559117.db2.gz UHLKMYARQIPCBS-GOEBONIOSA-N 1 2 278.440 3.498 20 30 CGEDLO CCCC[N@H+](CC#N)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208226189 813750022 /nfs/dbraw/zinc/75/00/22/813750022.db2.gz MZBSRINNLDCACB-CQSZACIVSA-N 1 2 288.391 3.220 20 30 CGEDLO CCCC[N@@H+](CC#N)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208226189 813750025 /nfs/dbraw/zinc/75/00/25/813750025.db2.gz MZBSRINNLDCACB-CQSZACIVSA-N 1 2 288.391 3.220 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3ccc(F)cc3)CC[C@@H]2S1 ZINC001208765217 813834519 /nfs/dbraw/zinc/83/45/19/813834519.db2.gz LOVHGMBRZKUERL-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3ccc(F)cc3)CC[C@@H]2S1 ZINC001208765217 813834530 /nfs/dbraw/zinc/83/45/30/813834530.db2.gz LOVHGMBRZKUERL-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO C=CCCCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209436316 814036204 /nfs/dbraw/zinc/03/62/04/814036204.db2.gz TZUUOJIQVCIDQR-AWEZNQCLSA-N 1 2 265.422 3.397 20 30 CGEDLO C=CCCCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209436316 814036207 /nfs/dbraw/zinc/03/62/07/814036207.db2.gz TZUUOJIQVCIDQR-AWEZNQCLSA-N 1 2 265.422 3.397 20 30 CGEDLO C=CCCCCCCCN1CC[NH+](C2CC2)CC1 ZINC001209438661 814038240 /nfs/dbraw/zinc/03/82/40/814038240.db2.gz RJFPZBSLXSMXCD-UHFFFAOYSA-N 1 2 250.430 3.293 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209756270 814131835 /nfs/dbraw/zinc/13/18/35/814131835.db2.gz XLOWHIUXWKVOJH-LLVKDONJSA-N 1 2 288.782 3.342 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209756270 814131839 /nfs/dbraw/zinc/13/18/39/814131839.db2.gz XLOWHIUXWKVOJH-LLVKDONJSA-N 1 2 288.782 3.342 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209756270 814131844 /nfs/dbraw/zinc/13/18/44/814131844.db2.gz XLOWHIUXWKVOJH-LLVKDONJSA-N 1 2 288.782 3.342 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209756270 814131847 /nfs/dbraw/zinc/13/18/47/814131847.db2.gz XLOWHIUXWKVOJH-LLVKDONJSA-N 1 2 288.782 3.342 20 30 CGEDLO COc1cc(Nc2cccc(OC)c2C#N)cc(C)[nH+]1 ZINC001210122685 814299782 /nfs/dbraw/zinc/29/97/82/814299782.db2.gz WKJLLTGEBWQRTN-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO COc1cccc(Nc2ccccc2-n2cc[nH+]c2)c1C#N ZINC001210123977 814301003 /nfs/dbraw/zinc/30/10/03/814301003.db2.gz DTPQSXLTBGLKCJ-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO Cn1c2ccccc2[nH]c1=[NH+]C1=CC(=O)CC(C)(C)C1 ZINC001210150146 814313056 /nfs/dbraw/zinc/31/30/56/814313056.db2.gz PIYOGWDOQZXTHA-UHFFFAOYSA-N 1 2 269.348 3.258 20 30 CGEDLO N#Cc1cc(Nc2[nH+]cccc2C2CC2)ccc1O ZINC001210530581 814510592 /nfs/dbraw/zinc/51/05/92/814510592.db2.gz HUNWXLCSYRKYQV-UHFFFAOYSA-N 1 2 251.289 3.280 20 30 CGEDLO N#Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1O ZINC001210529856 814511371 /nfs/dbraw/zinc/51/13/71/814511371.db2.gz YNMLJZPDMGRIHD-UHFFFAOYSA-N 1 2 290.326 3.252 20 30 CGEDLO C#Cc1cc(Nc2ccc(C)cc2SC)cc[nH+]1 ZINC001215870948 815618549 /nfs/dbraw/zinc/61/85/49/815618549.db2.gz QYQBQVLZTWNZJV-UHFFFAOYSA-N 1 2 254.358 3.259 20 30 CGEDLO N#Cc1ccccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001210739838 814604425 /nfs/dbraw/zinc/60/44/25/814604425.db2.gz MLCHFVLUHCXHHP-UHFFFAOYSA-N 1 2 260.300 3.488 20 30 CGEDLO COc1cc(Nc2cc(F)c(C)cc2C#N)cc(C)[nH+]1 ZINC001210783665 814627880 /nfs/dbraw/zinc/62/78/80/814627880.db2.gz IKIWMVWHSMNFBD-UHFFFAOYSA-N 1 2 271.295 3.461 20 30 CGEDLO CCCCCCCCC[C@@H](C)OC[C@H]([NH3+])C(=O)OC ZINC001217897281 815995972 /nfs/dbraw/zinc/99/59/72/815995972.db2.gz ONUHDLBIAVMWLM-KGLIPLIRSA-N 1 2 273.417 3.033 20 30 CGEDLO N#CCC[N@H+](Cc1c[nH]c2cnccc12)Cc1ccccc1 ZINC001231514774 818117098 /nfs/dbraw/zinc/11/70/98/818117098.db2.gz VSRGNJHYADSIBK-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1c[nH]c2cnccc12)Cc1ccccc1 ZINC001231514774 818117103 /nfs/dbraw/zinc/11/71/03/818117103.db2.gz VSRGNJHYADSIBK-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231912743 818211392 /nfs/dbraw/zinc/21/13/92/818211392.db2.gz WICUGNOCEBVWBQ-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231912743 818211396 /nfs/dbraw/zinc/21/13/96/818211396.db2.gz WICUGNOCEBVWBQ-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)n(C)nc1C(F)F ZINC001232054643 818240649 /nfs/dbraw/zinc/24/06/49/818240649.db2.gz DEOHPMTUXQTTLH-UHFFFAOYSA-N 1 2 277.746 3.409 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)n(C)nc1C(F)F ZINC001232054643 818240654 /nfs/dbraw/zinc/24/06/54/818240654.db2.gz DEOHPMTUXQTTLH-UHFFFAOYSA-N 1 2 277.746 3.409 20 30 CGEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232111917 818257853 /nfs/dbraw/zinc/25/78/53/818257853.db2.gz MDVXCSLZQIEOSF-SKDRFNHKSA-N 1 2 252.720 3.144 20 30 CGEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232111917 818257858 /nfs/dbraw/zinc/25/78/58/818257858.db2.gz MDVXCSLZQIEOSF-SKDRFNHKSA-N 1 2 252.720 3.144 20 30 CGEDLO CSc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001232327818 818314833 /nfs/dbraw/zinc/31/48/33/818314833.db2.gz UFQITAGUUGBZEY-UHFFFAOYSA-N 1 2 295.411 3.233 20 30 CGEDLO CSc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001232327818 818314841 /nfs/dbraw/zinc/31/48/41/818314841.db2.gz UFQITAGUUGBZEY-UHFFFAOYSA-N 1 2 295.411 3.233 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001233046270 818507330 /nfs/dbraw/zinc/50/73/30/818507330.db2.gz RHCNXNTUKSQLIQ-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001233046270 818507338 /nfs/dbraw/zinc/50/73/38/818507338.db2.gz RHCNXNTUKSQLIQ-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001233047813 818509773 /nfs/dbraw/zinc/50/97/73/818509773.db2.gz MBHGJYGQWQCJSQ-UHFFFAOYSA-N 1 2 263.344 3.176 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC001233047813 818509780 /nfs/dbraw/zinc/50/97/80/818509780.db2.gz MBHGJYGQWQCJSQ-UHFFFAOYSA-N 1 2 263.344 3.176 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cn2c(cccc2Cl)n1 ZINC001233591913 818652884 /nfs/dbraw/zinc/65/28/84/818652884.db2.gz IESFNQGTTMNKCK-UHFFFAOYSA-N 1 2 261.756 3.162 20 30 CGEDLO CCc1cccc(C[N@H+](CCC#N)C2CCCC2)n1 ZINC001235259132 819053264 /nfs/dbraw/zinc/05/32/64/819053264.db2.gz UCADXWLUEMALEZ-UHFFFAOYSA-N 1 2 257.381 3.302 20 30 CGEDLO CCc1cccc(C[N@@H+](CCC#N)C2CCCC2)n1 ZINC001235259132 819053268 /nfs/dbraw/zinc/05/32/68/819053268.db2.gz UCADXWLUEMALEZ-UHFFFAOYSA-N 1 2 257.381 3.302 20 30 CGEDLO Cc1cnc(F)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001235346359 819074635 /nfs/dbraw/zinc/07/46/35/819074635.db2.gz QCHCGQLVFCPCJX-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cnc(F)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001235346359 819074639 /nfs/dbraw/zinc/07/46/39/819074639.db2.gz QCHCGQLVFCPCJX-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C[N@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001235694161 819143804 /nfs/dbraw/zinc/14/38/04/819143804.db2.gz YMHFDYKKQYTRMK-UHFFFAOYSA-N 1 2 294.333 3.206 20 30 CGEDLO C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001235694161 819143808 /nfs/dbraw/zinc/14/38/08/819143808.db2.gz YMHFDYKKQYTRMK-UHFFFAOYSA-N 1 2 294.333 3.206 20 30 CGEDLO N#Cc1cc(-c2cc[nH+]c(N3CCCC3)c2)ccc1F ZINC001235893097 819201979 /nfs/dbraw/zinc/20/19/79/819201979.db2.gz GSKMDPQMHLBPNC-UHFFFAOYSA-N 1 2 267.307 3.360 20 30 CGEDLO CCOc1ncc(C[N@H+](CCC#N)C2CCCC2)cc1F ZINC001236693294 819575349 /nfs/dbraw/zinc/57/53/49/819575349.db2.gz LQUPWOQOJKOMLP-UHFFFAOYSA-N 1 2 291.370 3.278 20 30 CGEDLO CCOc1ncc(C[N@@H+](CCC#N)C2CCCC2)cc1F ZINC001236693294 819575356 /nfs/dbraw/zinc/57/53/56/819575356.db2.gz LQUPWOQOJKOMLP-UHFFFAOYSA-N 1 2 291.370 3.278 20 30 CGEDLO N#CCC1C[NH+](Cc2ccnc3c(Cl)cccc23)C1 ZINC001237144633 819677702 /nfs/dbraw/zinc/67/77/02/819677702.db2.gz SEYAAFZJMQUYCO-UHFFFAOYSA-N 1 2 271.751 3.234 20 30 CGEDLO C#CC[NH+]1CCN(Cc2cc(C)c(Cl)cc2Cl)CC1 ZINC001237699458 819809907 /nfs/dbraw/zinc/80/99/07/819809907.db2.gz MRFSOTPCDQCTML-UHFFFAOYSA-N 1 2 297.229 3.053 20 30 CGEDLO CCc1cc(Br)ccc1C[NH+]1CC(CC#N)C1 ZINC001237738302 819829357 /nfs/dbraw/zinc/82/93/57/819829357.db2.gz BZOMIKRWKMUPFJ-UHFFFAOYSA-N 1 2 293.208 3.357 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949906 819894022 /nfs/dbraw/zinc/89/40/22/819894022.db2.gz ONUCUWDJPLKAGZ-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO CC(C)Oc1cc(F)ccc1C[NH+]1CCC(C#N)CC1 ZINC001238694965 820086940 /nfs/dbraw/zinc/08/69/40/820086940.db2.gz BQDVFXDLYVRGBB-UHFFFAOYSA-N 1 2 276.355 3.348 20 30 CGEDLO CCc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1C#N ZINC001238769337 820112658 /nfs/dbraw/zinc/11/26/58/820112658.db2.gz RGYPBVQHWLBRJY-AWEZNQCLSA-N 1 2 279.387 3.499 20 30 CGEDLO CCc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1C#N ZINC001238769337 820112662 /nfs/dbraw/zinc/11/26/62/820112662.db2.gz RGYPBVQHWLBRJY-AWEZNQCLSA-N 1 2 279.387 3.499 20 30 CGEDLO CCc1cc(C[N@H+](C)CC(=O)c2ccccc2)ccc1C#N ZINC001238769383 820112953 /nfs/dbraw/zinc/11/29/53/820112953.db2.gz RSIVNPPVNIPJHG-UHFFFAOYSA-N 1 2 292.382 3.435 20 30 CGEDLO CCc1cc(C[N@@H+](C)CC(=O)c2ccccc2)ccc1C#N ZINC001238769383 820112957 /nfs/dbraw/zinc/11/29/57/820112957.db2.gz RSIVNPPVNIPJHG-UHFFFAOYSA-N 1 2 292.382 3.435 20 30 CGEDLO CCCCCCCCNC(=O)N1CC[NH2+]C2=CCCC[C@H]21 ZINC001239310559 820260404 /nfs/dbraw/zinc/26/04/04/820260404.db2.gz YPMBBMPRIUDYRF-MRXNPFEDSA-N 1 2 293.455 3.398 20 30 CGEDLO Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ncc1C#N ZINC001243655781 823475867 /nfs/dbraw/zinc/47/58/67/823475867.db2.gz DGBAHDATLMJZAI-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1cnc(-c2ccc3[nH+]ccn3c2)c2sccc21 ZINC001240217518 820889984 /nfs/dbraw/zinc/88/99/84/820889984.db2.gz PTPUKMZUGAMKSA-UHFFFAOYSA-N 1 2 276.324 3.483 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(/C=N/O)c(F)c1 ZINC001241251607 821673649 /nfs/dbraw/zinc/67/36/49/821673649.db2.gz XTPDFKSMZGTAJO-QGMBQPNBSA-N 1 2 273.311 3.070 20 30 CGEDLO COC(=[NH2+])c1cccc(-c2ccc(C#N)cc2OC)c1 ZINC001241408102 821804546 /nfs/dbraw/zinc/80/45/46/821804546.db2.gz HVQYTJDTGWEBQG-UHFFFAOYSA-N 1 2 266.300 3.206 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2ccc(C#N)nc2)cc1 ZINC001241434037 821826994 /nfs/dbraw/zinc/82/69/94/821826994.db2.gz DFUDNYCCFLTFFP-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO Cc1c(C2=CC(=O)CC(C)(C)C2)ccc2[nH+]ccn21 ZINC001242318020 822950542 /nfs/dbraw/zinc/95/05/42/822950542.db2.gz LMYYDGZYIVKISG-UHFFFAOYSA-N 1 2 254.333 3.415 20 30 CGEDLO N#Cc1cc(-c2cc[nH+]c(N3CCCCC3)c2)ccc1O ZINC001242563950 823034075 /nfs/dbraw/zinc/03/40/75/823034075.db2.gz MQCUKCYFNSFPMC-UHFFFAOYSA-N 1 2 279.343 3.316 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001481055407 926874115 /nfs/dbraw/zinc/87/41/15/926874115.db2.gz FRAXZAXVLBODLI-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001481055407 926874123 /nfs/dbraw/zinc/87/41/23/926874123.db2.gz FRAXZAXVLBODLI-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CCC)C(C)C ZINC001498397546 927140482 /nfs/dbraw/zinc/14/04/82/927140482.db2.gz FXZOHESPIDSCAL-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](CCC)C(C)C ZINC001498397546 927140487 /nfs/dbraw/zinc/14/04/87/927140487.db2.gz FXZOHESPIDSCAL-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO COc1cc[nH+]cc1NC12CCC(C#N)(CC1)CC2 ZINC001169750777 928098918 /nfs/dbraw/zinc/09/89/18/928098918.db2.gz LLSMQUNSBAWJIQ-UHFFFAOYSA-N 1 2 257.337 3.119 20 30 CGEDLO CNc1ccc(N[C@@H]2CCc3c2cccc3C#N)c[nH+]1 ZINC001171063460 928185543 /nfs/dbraw/zinc/18/55/43/928185543.db2.gz WGMXBGQBYUHHPV-OAHLLOKOSA-N 1 2 264.332 3.094 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@H]1C#N)CC2 ZINC001172830704 928225610 /nfs/dbraw/zinc/22/56/10/928225610.db2.gz JSBBNMOVRNLUJQ-IRXDYDNUSA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@H]1C#N)CC2 ZINC001172830704 928225632 /nfs/dbraw/zinc/22/56/32/928225632.db2.gz JSBBNMOVRNLUJQ-IRXDYDNUSA-N 1 2 254.377 3.230 20 30 CGEDLO CCN(C)c1ccc(Nc2cccc(C#N)c2F)c[nH+]1 ZINC001216414175 932019748 /nfs/dbraw/zinc/01/97/48/932019748.db2.gz JSUSRAVUPOKZDG-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001462000214 937612364 /nfs/dbraw/zinc/61/23/64/937612364.db2.gz MEUQFFLGLPTLBB-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001462000214 937612366 /nfs/dbraw/zinc/61/23/66/937612366.db2.gz MEUQFFLGLPTLBB-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO CCCCCCCC[N@@H+]1CCSC[C@@H]1C(=O)OCC ZINC001307430517 932951577 /nfs/dbraw/zinc/95/15/77/932951577.db2.gz YAFXCBIAVRBFGJ-CQSZACIVSA-N 1 2 287.469 3.327 20 30 CGEDLO CCCCCCCC[N@H+]1CCSC[C@@H]1C(=O)OCC ZINC001307430517 932951579 /nfs/dbraw/zinc/95/15/79/932951579.db2.gz YAFXCBIAVRBFGJ-CQSZACIVSA-N 1 2 287.469 3.327 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC001307744685 932996120 /nfs/dbraw/zinc/99/61/20/932996120.db2.gz AFMPCVGQKYCQCZ-IAGOWNOFSA-N 1 2 287.403 3.156 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC001307744685 932996123 /nfs/dbraw/zinc/99/61/23/932996123.db2.gz AFMPCVGQKYCQCZ-IAGOWNOFSA-N 1 2 287.403 3.156 20 30 CGEDLO C=CCN(CC=C)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001463616018 937678189 /nfs/dbraw/zinc/67/81/89/937678189.db2.gz GYUWJPYIFWWORL-UHFFFAOYSA-N 1 2 293.370 3.061 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2CCOCC2)c(O)c1 ZINC001318501701 933737054 /nfs/dbraw/zinc/73/70/54/933737054.db2.gz ZSGRPGRJBNZIRF-SFQUDFHCSA-N 1 2 277.364 3.027 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@H](CC)c1ccccc1)C(=O)OCC ZINC001320908455 934121829 /nfs/dbraw/zinc/12/18/29/934121829.db2.gz ZRDWLFIODHDNJU-HOCLYGCPSA-N 1 2 275.392 3.278 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC001320967592 934128353 /nfs/dbraw/zinc/12/83/53/934128353.db2.gz KDTIZRBZVRBKNV-ZDUSSCGKSA-N 1 2 266.410 3.043 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC001320967592 934128356 /nfs/dbraw/zinc/12/83/56/934128356.db2.gz KDTIZRBZVRBKNV-ZDUSSCGKSA-N 1 2 266.410 3.043 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccccc1Cl)C(=O)OCC ZINC001326380794 934976023 /nfs/dbraw/zinc/97/60/23/934976023.db2.gz KZPIUVGKBDRADY-WFASDCNBSA-N 1 2 295.810 3.368 20 30 CGEDLO Cc1c[nH+]c2ccccc2c1N1CC[C@](C)(C#N)C1 ZINC001327725529 935081515 /nfs/dbraw/zinc/08/15/15/935081515.db2.gz IBHCTIGFLZOJRW-MRXNPFEDSA-N 1 2 251.333 3.283 20 30 CGEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1noc(-c2ccccc2)n1 ZINC001328613462 935152081 /nfs/dbraw/zinc/15/20/81/935152081.db2.gz SRZAIMBXADKVQD-CYBMUJFWSA-N 1 2 281.359 3.143 20 30 CGEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1noc(-c2ccccc2)n1 ZINC001328613462 935152083 /nfs/dbraw/zinc/15/20/83/935152083.db2.gz SRZAIMBXADKVQD-CYBMUJFWSA-N 1 2 281.359 3.143 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001330641764 935307963 /nfs/dbraw/zinc/30/79/63/935307963.db2.gz ZSBLIOUQRWKEOR-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001330641764 935307969 /nfs/dbraw/zinc/30/79/69/935307969.db2.gz ZSBLIOUQRWKEOR-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO C[C@@H](CCC#N)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001331336670 935371320 /nfs/dbraw/zinc/37/13/20/935371320.db2.gz ZDMAGZDDCPIAAL-STQMWFEESA-N 1 2 284.363 3.003 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OCC ZINC001331728555 935406155 /nfs/dbraw/zinc/40/61/55/935406155.db2.gz OMTGXFPWFIIAMG-RQJABVFESA-N 1 2 293.432 3.338 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCC(F)(F)F)CCO2)c1 ZINC001334099069 936085243 /nfs/dbraw/zinc/08/52/43/936085243.db2.gz YLGMXMQITGQVNH-AWEZNQCLSA-N 1 2 298.308 3.274 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCC(F)(F)F)CCO2)c1 ZINC001334099069 936085246 /nfs/dbraw/zinc/08/52/46/936085246.db2.gz YLGMXMQITGQVNH-AWEZNQCLSA-N 1 2 298.308 3.274 20 30 CGEDLO C=CCC[C@@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC001338029454 936302576 /nfs/dbraw/zinc/30/25/76/936302576.db2.gz QVEYYSCYAKZYOB-CQSZACIVSA-N 1 2 272.396 3.012 20 30 CGEDLO C=CCC[C@@H]1CCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC001338029454 936302584 /nfs/dbraw/zinc/30/25/84/936302584.db2.gz QVEYYSCYAKZYOB-CQSZACIVSA-N 1 2 272.396 3.012 20 30 CGEDLO CCCCCCC[NH+]1CC(NC(=O)c2occc2Cl)C1 ZINC001494441046 937954475 /nfs/dbraw/zinc/95/44/75/937954475.db2.gz FASWOOJXVDXIRL-UHFFFAOYSA-N 1 2 298.814 3.317 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001506744728 937991637 /nfs/dbraw/zinc/99/16/37/937991637.db2.gz APFOMWYMXFSNMW-XJKSGUPXSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001506744728 937991638 /nfs/dbraw/zinc/99/16/38/937991638.db2.gz APFOMWYMXFSNMW-XJKSGUPXSA-N 1 2 298.858 3.168 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccc(F)cc1 ZINC001560852987 938279940 /nfs/dbraw/zinc/27/99/40/938279940.db2.gz QFTDSIQXVIRBJQ-CQSZACIVSA-N 1 2 296.301 3.137 20 30 CGEDLO C=CCC1(O)C[NH+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC001561048949 938291524 /nfs/dbraw/zinc/29/15/24/938291524.db2.gz IPRHEISRWGRBKZ-UHFFFAOYSA-N 1 2 298.361 3.011 20 30 CGEDLO Cc1ccn2cc(CNc3ccc(C#N)cc3F)[nH+]c2c1 ZINC000337740429 214242436 /nfs/dbraw/zinc/24/24/36/214242436.db2.gz UMHZPVLKRQYHST-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1nnc(Nc2ccc3c(c2)CCC[NH2+]3)c(C#N)c1C ZINC000125491639 187187998 /nfs/dbraw/zinc/18/79/98/187187998.db2.gz LNSUSCQRTAZSHI-UHFFFAOYSA-N 1 2 279.347 3.067 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)OC ZINC000591376444 346918492 /nfs/dbraw/zinc/91/84/92/346918492.db2.gz FPMNRZFHSHDANS-YUELXQCFSA-N 1 2 293.794 3.293 20 30 CGEDLO C=CCCC(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270083058 190595557 /nfs/dbraw/zinc/59/55/57/190595557.db2.gz JUYNNJCCFDWLDF-OAHLLOKOSA-N 1 2 297.402 3.302 20 30 CGEDLO CCCOc1cc(O)ccc1[NH2+]C[C@H](C#N)CCC#N ZINC000591774915 346935872 /nfs/dbraw/zinc/93/58/72/346935872.db2.gz UZGULQYXZWGWPN-LBPRGKRZSA-N 1 2 273.336 3.036 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ncncc1C#N ZINC000591891817 346944920 /nfs/dbraw/zinc/94/49/20/346944920.db2.gz TWGWYPKWTAMQIK-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO CCc1ccc([C@H](CO)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000359626722 529724330 /nfs/dbraw/zinc/72/43/30/529724330.db2.gz RHSRDGFIUHIBOA-SFHVURJKSA-N 1 2 298.361 3.083 20 30 CGEDLO COc1ccc([C@@H](C)[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592055666 346958291 /nfs/dbraw/zinc/95/82/91/346958291.db2.gz OHQWPMSALFLYLK-CYBMUJFWSA-N 1 2 281.359 3.155 20 30 CGEDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592055666 346958293 /nfs/dbraw/zinc/95/82/93/346958293.db2.gz OHQWPMSALFLYLK-CYBMUJFWSA-N 1 2 281.359 3.155 20 30 CGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccncc1C#N ZINC000592100920 346962081 /nfs/dbraw/zinc/96/20/81/346962081.db2.gz LAVPUBJFQNLEPH-GWCFXTLKSA-N 1 2 283.297 3.116 20 30 CGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccncc1C#N ZINC000592100920 346962082 /nfs/dbraw/zinc/96/20/82/346962082.db2.gz LAVPUBJFQNLEPH-GWCFXTLKSA-N 1 2 283.297 3.116 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC2(CCCC2)O1 ZINC000592189346 346970264 /nfs/dbraw/zinc/97/02/64/346970264.db2.gz SKALMXXJUVRNAN-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC2(CCCC2)O1 ZINC000592189346 346970266 /nfs/dbraw/zinc/97/02/66/346970266.db2.gz SKALMXXJUVRNAN-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO COCc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593124919 347042987 /nfs/dbraw/zinc/04/29/87/347042987.db2.gz LIINWAPWCPBPMR-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO COCc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593124919 347042989 /nfs/dbraw/zinc/04/29/89/347042989.db2.gz LIINWAPWCPBPMR-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1cccc(F)c1C#N ZINC000026760446 344907654 /nfs/dbraw/zinc/90/76/54/344907654.db2.gz IVBLJDRTRXLKJI-UHFFFAOYSA-N 1 2 294.333 3.468 20 30 CGEDLO CC(C)c1noc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046530506 345041017 /nfs/dbraw/zinc/04/10/17/345041017.db2.gz XPENGGVSCPYLGD-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1noc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046530506 345041020 /nfs/dbraw/zinc/04/10/20/345041020.db2.gz XPENGGVSCPYLGD-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000057872642 345189765 /nfs/dbraw/zinc/18/97/65/345189765.db2.gz QFQVZYIKDPIYSQ-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccc(Cl)c(C#N)n3)cn2c1 ZINC000067369040 345320172 /nfs/dbraw/zinc/32/01/72/345320172.db2.gz XHEFDUXBFVTDGG-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO COCC[N@@H+](CCC#N)CCSc1ccc(Cl)cc1 ZINC000072690045 345415836 /nfs/dbraw/zinc/41/58/36/345415836.db2.gz LVLQCNNBYQCTBX-UHFFFAOYSA-N 1 2 298.839 3.294 20 30 CGEDLO COCC[N@H+](CCC#N)CCSc1ccc(Cl)cc1 ZINC000072690045 345415838 /nfs/dbraw/zinc/41/58/38/345415838.db2.gz LVLQCNNBYQCTBX-UHFFFAOYSA-N 1 2 298.839 3.294 20 30 CGEDLO CN(C)c1cccc(C[N@H+](CC#N)C2CCCC2)c1 ZINC000075752107 345521400 /nfs/dbraw/zinc/52/14/00/345521400.db2.gz YLSJILVFMDNDRP-UHFFFAOYSA-N 1 2 257.381 3.021 20 30 CGEDLO CN(C)c1cccc(C[N@@H+](CC#N)C2CCCC2)c1 ZINC000075752107 345521404 /nfs/dbraw/zinc/52/14/04/345521404.db2.gz YLSJILVFMDNDRP-UHFFFAOYSA-N 1 2 257.381 3.021 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ncc(CC)o1 ZINC000075593241 345514696 /nfs/dbraw/zinc/51/46/96/345514696.db2.gz QDKVVIAPMQRJJU-UHFFFAOYSA-N 1 2 262.378 3.487 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ncc(CC)o1 ZINC000075593241 345514700 /nfs/dbraw/zinc/51/47/00/345514700.db2.gz QDKVVIAPMQRJJU-UHFFFAOYSA-N 1 2 262.378 3.487 20 30 CGEDLO Cc1cccn2cc(CCNc3ccc(F)cc3C#N)[nH+]c12 ZINC000080676114 345682668 /nfs/dbraw/zinc/68/26/68/345682668.db2.gz LBZWVDMABQXOQM-UHFFFAOYSA-N 1 2 294.333 3.308 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000081006563 345695050 /nfs/dbraw/zinc/69/50/50/345695050.db2.gz XFDDLKXSCZDTHS-JTQLQIEISA-N 1 2 277.331 3.311 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1cccc(C(C)(C)C)c1 ZINC000083217479 345725053 /nfs/dbraw/zinc/72/50/53/345725053.db2.gz JDOSXYUVFRZPSE-UHFFFAOYSA-N 1 2 260.381 3.208 20 30 CGEDLO C[N@H+](CCC#N)CCOc1cccc(C(C)(C)C)c1 ZINC000083217479 345725054 /nfs/dbraw/zinc/72/50/54/345725054.db2.gz JDOSXYUVFRZPSE-UHFFFAOYSA-N 1 2 260.381 3.208 20 30 CGEDLO C=CC[C@H]1CC[C@H](Nc2cc(CSCCO)cc[nH+]2)C1 ZINC000593611251 347094635 /nfs/dbraw/zinc/09/46/35/347094635.db2.gz MGLONYPGFWFDCE-ZFWWWQNUSA-N 1 2 292.448 3.464 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2cccc(C)c2)nc1C ZINC000593615290 347095331 /nfs/dbraw/zinc/09/53/31/347095331.db2.gz LWYCOARMGQYQPB-MRXNPFEDSA-N 1 2 282.391 3.271 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CCCC1 ZINC000593652844 347099370 /nfs/dbraw/zinc/09/93/70/347099370.db2.gz QZVFKSYDJFLCPE-CYBMUJFWSA-N 1 2 291.420 3.168 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncn1CC)c1ccc(Cl)cc1 ZINC000491622827 346629166 /nfs/dbraw/zinc/62/91/66/346629166.db2.gz JEDIZJVHCPFJNJ-HNNXBMFYSA-N 1 2 273.767 3.021 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(Cl)c3C2)nc1 ZINC000584663120 346706489 /nfs/dbraw/zinc/70/64/89/346706489.db2.gz UIJWFKDFQUTEDR-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)nc1 ZINC000584663120 346706491 /nfs/dbraw/zinc/70/64/91/346706491.db2.gz UIJWFKDFQUTEDR-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000594010420 347136437 /nfs/dbraw/zinc/13/64/37/347136437.db2.gz DNVOLICVOXTHQK-NEPJUHHUSA-N 1 2 293.798 3.257 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000595324423 347292187 /nfs/dbraw/zinc/29/21/87/347292187.db2.gz FIMADPHKFKTJKW-INIZCTEOSA-N 1 2 270.376 3.144 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000595324423 347292189 /nfs/dbraw/zinc/29/21/89/347292189.db2.gz FIMADPHKFKTJKW-INIZCTEOSA-N 1 2 270.376 3.144 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000595324425 347292394 /nfs/dbraw/zinc/29/23/94/347292394.db2.gz FIMADPHKFKTJKW-MRXNPFEDSA-N 1 2 270.376 3.144 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000595324425 347292399 /nfs/dbraw/zinc/29/23/99/347292399.db2.gz FIMADPHKFKTJKW-MRXNPFEDSA-N 1 2 270.376 3.144 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cccc(C(C)(C)C)c1 ZINC000595349121 347295604 /nfs/dbraw/zinc/29/56/04/347295604.db2.gz YQPCSDCNOLLVIM-UHFFFAOYSA-N 1 2 274.408 3.346 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cccc(C(C)(C)C)c1 ZINC000595349121 347295608 /nfs/dbraw/zinc/29/56/08/347295608.db2.gz YQPCSDCNOLLVIM-UHFFFAOYSA-N 1 2 274.408 3.346 20 30 CGEDLO C[C@@H]1CCN([C@@H](C#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000595391651 347297493 /nfs/dbraw/zinc/29/74/93/347297493.db2.gz OOZDOQIQKQOYCP-HYVNUMGLSA-N 1 2 280.375 3.031 20 30 CGEDLO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2)c1 ZINC000595611130 347326693 /nfs/dbraw/zinc/32/66/93/347326693.db2.gz HGSVOQARMJQSTD-AWEZNQCLSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](CC#N)C3)n2)c1 ZINC000595611130 347326695 /nfs/dbraw/zinc/32/66/95/347326695.db2.gz HGSVOQARMJQSTD-AWEZNQCLSA-N 1 2 296.374 3.171 20 30 CGEDLO CC(C)c1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)CC2 ZINC000595657529 347334581 /nfs/dbraw/zinc/33/45/81/347334581.db2.gz MLKUAJZUYJVPGL-UHFFFAOYSA-N 1 2 254.377 3.472 20 30 CGEDLO CC(C)c1ccc2c(c1)C[N@H+](CC1(C#N)CC1)CC2 ZINC000595657529 347334584 /nfs/dbraw/zinc/33/45/84/347334584.db2.gz MLKUAJZUYJVPGL-UHFFFAOYSA-N 1 2 254.377 3.472 20 30 CGEDLO C=CCCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595678250 347336520 /nfs/dbraw/zinc/33/65/20/347336520.db2.gz SKAXTKSSDOARER-INIZCTEOSA-N 1 2 291.391 3.197 20 30 CGEDLO C=CCCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000595678250 347336522 /nfs/dbraw/zinc/33/65/22/347336522.db2.gz SKAXTKSSDOARER-INIZCTEOSA-N 1 2 291.391 3.197 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595758045 347351874 /nfs/dbraw/zinc/35/18/74/347351874.db2.gz AIVXBUJMQQINSA-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595758045 347351875 /nfs/dbraw/zinc/35/18/75/347351875.db2.gz AIVXBUJMQQINSA-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000595510532 347313490 /nfs/dbraw/zinc/31/34/90/347313490.db2.gz LMUREBWBGQVVDG-BRSBDYLESA-N 1 2 284.403 3.267 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000595510532 347313492 /nfs/dbraw/zinc/31/34/92/347313492.db2.gz LMUREBWBGQVVDG-BRSBDYLESA-N 1 2 284.403 3.267 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595836287 347363641 /nfs/dbraw/zinc/36/36/41/347363641.db2.gz XGWBCAWDRGEROT-ZDUSSCGKSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595836287 347363643 /nfs/dbraw/zinc/36/36/43/347363643.db2.gz XGWBCAWDRGEROT-ZDUSSCGKSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595857720 347368307 /nfs/dbraw/zinc/36/83/07/347368307.db2.gz RFXLOTCDJJYFCD-CYBMUJFWSA-N 1 2 294.354 3.219 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595857720 347368310 /nfs/dbraw/zinc/36/83/10/347368310.db2.gz RFXLOTCDJJYFCD-CYBMUJFWSA-N 1 2 294.354 3.219 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000597173159 347543654 /nfs/dbraw/zinc/54/36/54/347543654.db2.gz GPTPHXCJDBWZFW-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000597173159 347543656 /nfs/dbraw/zinc/54/36/56/347543656.db2.gz GPTPHXCJDBWZFW-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OC(C)C ZINC000597228566 347557657 /nfs/dbraw/zinc/55/76/57/347557657.db2.gz DAWATNUDXWHUJN-QGZVFWFLSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OC(C)C ZINC000597228566 347557660 /nfs/dbraw/zinc/55/76/60/347557660.db2.gz DAWATNUDXWHUJN-QGZVFWFLSA-N 1 2 288.391 3.218 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597232445 347560053 /nfs/dbraw/zinc/56/00/53/347560053.db2.gz UKSVSEPRGWNZIG-QGZVFWFLSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597232445 347560055 /nfs/dbraw/zinc/56/00/55/347560055.db2.gz UKSVSEPRGWNZIG-QGZVFWFLSA-N 1 2 272.392 3.457 20 30 CGEDLO C[C@]1(C#N)CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599065765 347713382 /nfs/dbraw/zinc/71/33/82/347713382.db2.gz MZCLGJHWSRFUTP-QGZVFWFLSA-N 1 2 291.358 3.013 20 30 CGEDLO Cc1cnc([C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678266 347764997 /nfs/dbraw/zinc/76/49/97/347764997.db2.gz SFFMKTRCBZDRED-ZDUSSCGKSA-N 1 2 281.359 3.168 20 30 CGEDLO Cc1cnc([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678266 347765001 /nfs/dbraw/zinc/76/50/01/347765001.db2.gz SFFMKTRCBZDRED-ZDUSSCGKSA-N 1 2 281.359 3.168 20 30 CGEDLO C[N@H+](CCCC#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599681139 347765152 /nfs/dbraw/zinc/76/51/52/347765152.db2.gz DALLSCHOLIIKAF-AWEZNQCLSA-N 1 2 266.335 3.488 20 30 CGEDLO C[N@@H+](CCCC#N)[C@@H](CCc1ccccc1)C(F)F ZINC000599681139 347765153 /nfs/dbraw/zinc/76/51/53/347765153.db2.gz DALLSCHOLIIKAF-AWEZNQCLSA-N 1 2 266.335 3.488 20 30 CGEDLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)cc1C#N ZINC000599322006 347735132 /nfs/dbraw/zinc/73/51/32/347735132.db2.gz WVIXDSFGUYQQNP-UHFFFAOYSA-N 1 2 252.308 3.342 20 30 CGEDLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)cc1C#N ZINC000599322006 347735134 /nfs/dbraw/zinc/73/51/34/347735134.db2.gz WVIXDSFGUYQQNP-UHFFFAOYSA-N 1 2 252.308 3.342 20 30 CGEDLO Cc1[nH]c(CN(C)[C@H](C)c2cccc(C#N)c2)[nH+]c1C ZINC000600167465 347787379 /nfs/dbraw/zinc/78/73/79/347787379.db2.gz WAVSKEGXBJMOKA-CYBMUJFWSA-N 1 2 268.364 3.091 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000600167465 347787384 /nfs/dbraw/zinc/78/73/84/347787384.db2.gz WAVSKEGXBJMOKA-CYBMUJFWSA-N 1 2 268.364 3.091 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000600167465 347787389 /nfs/dbraw/zinc/78/73/89/347787389.db2.gz WAVSKEGXBJMOKA-CYBMUJFWSA-N 1 2 268.364 3.091 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc(C3CC3)o2)CCCCC1 ZINC000600174236 347788759 /nfs/dbraw/zinc/78/87/59/347788759.db2.gz JDTJXLZUWHFYRK-UHFFFAOYSA-N 1 2 259.353 3.116 20 30 CGEDLO CCOCCCNc1ccc(-c2ccc(C)c(C#N)c2)c[nH+]1 ZINC000600791227 347836860 /nfs/dbraw/zinc/83/68/60/347836860.db2.gz FAKAGUGZHDJWKY-UHFFFAOYSA-N 1 2 295.386 3.189 20 30 CGEDLO Cc1ncc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000602017298 347933443 /nfs/dbraw/zinc/93/34/43/347933443.db2.gz NZVUVDRXKDGABY-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000602612792 347993798 /nfs/dbraw/zinc/99/37/98/347993798.db2.gz RARYCQMRXVCKFC-SNVBAGLBSA-N 1 2 272.179 3.357 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C1CC(c2ccccc2)C1)C(=O)OC ZINC000602734503 348021126 /nfs/dbraw/zinc/02/11/26/348021126.db2.gz OPLSAFUZMLIYOX-GPANFISMSA-N 1 2 273.376 3.030 20 30 CGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602864513 348038001 /nfs/dbraw/zinc/03/80/01/348038001.db2.gz RRQCUQYTFHYJRW-MELADBBJSA-N 1 2 287.407 3.419 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973719 348047758 /nfs/dbraw/zinc/04/77/58/348047758.db2.gz DORBKFKSKCQDQE-FZMZJTMJSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602973719 348047760 /nfs/dbraw/zinc/04/77/60/348047760.db2.gz DORBKFKSKCQDQE-FZMZJTMJSA-N 1 2 278.783 3.473 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)cnc21 ZINC000602976920 348049159 /nfs/dbraw/zinc/04/91/59/348049159.db2.gz VIKWPUOMCSWABJ-GDBMZVCRSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)cnc21 ZINC000602976920 348049164 /nfs/dbraw/zinc/04/91/64/348049164.db2.gz VIKWPUOMCSWABJ-GDBMZVCRSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)cnc21 ZINC000602976923 348049429 /nfs/dbraw/zinc/04/94/29/348049429.db2.gz VIKWPUOMCSWABJ-ZBFHGGJFSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)cnc21 ZINC000602976923 348049430 /nfs/dbraw/zinc/04/94/30/348049430.db2.gz VIKWPUOMCSWABJ-ZBFHGGJFSA-N 1 2 297.406 3.136 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H]1CCC[C@H]1C#N ZINC000602980174 348050478 /nfs/dbraw/zinc/05/04/78/348050478.db2.gz MSYMHYRMLTZGTI-DLBZAZTESA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H]1CCC[C@H]1C#N ZINC000602980174 348050480 /nfs/dbraw/zinc/05/04/80/348050480.db2.gz MSYMHYRMLTZGTI-DLBZAZTESA-N 1 2 292.386 3.268 20 30 CGEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC(F)F ZINC000609586650 348348597 /nfs/dbraw/zinc/34/85/97/348348597.db2.gz RMLMHBDGHURALO-UHFFFAOYSA-N 1 2 252.308 3.281 20 30 CGEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC(F)F ZINC000609586650 348348600 /nfs/dbraw/zinc/34/86/00/348348600.db2.gz RMLMHBDGHURALO-UHFFFAOYSA-N 1 2 252.308 3.281 20 30 CGEDLO CC[N@@H+](CC#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000610504512 348385936 /nfs/dbraw/zinc/38/59/36/348385936.db2.gz RVQOMJGZVFCMPK-UHFFFAOYSA-N 1 2 270.298 3.483 20 30 CGEDLO CC[N@H+](CC#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000610504512 348385937 /nfs/dbraw/zinc/38/59/37/348385937.db2.gz RVQOMJGZVFCMPK-UHFFFAOYSA-N 1 2 270.298 3.483 20 30 CGEDLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1cccc(C#N)c1 ZINC000611193407 348427628 /nfs/dbraw/zinc/42/76/28/348427628.db2.gz XVNBKNYDVAEFOK-GFCCVEGCSA-N 1 2 276.343 3.040 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(Cl)c(C)c1 ZINC000611560173 348461255 /nfs/dbraw/zinc/46/12/55/348461255.db2.gz TZHCFAOTBFAXLJ-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(Cl)c(C)c1 ZINC000611560173 348461260 /nfs/dbraw/zinc/46/12/60/348461260.db2.gz TZHCFAOTBFAXLJ-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163055 348498300 /nfs/dbraw/zinc/49/83/00/348498300.db2.gz NRVLIANOCDYODM-DOMZBBRYSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163055 348498302 /nfs/dbraw/zinc/49/83/02/348498302.db2.gz NRVLIANOCDYODM-DOMZBBRYSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@]1(C#N)CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000612167740 348499138 /nfs/dbraw/zinc/49/91/38/348499138.db2.gz WEXGGDIAVRGRSX-OAHLLOKOSA-N 1 2 288.782 3.113 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000612204296 348501432 /nfs/dbraw/zinc/50/14/32/348501432.db2.gz XUULVEIXZRTROV-GFCCVEGCSA-N 1 2 292.310 3.121 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000612405615 348516831 /nfs/dbraw/zinc/51/68/31/348516831.db2.gz BHXSMTSZRMDDQZ-GOSISDBHSA-N 1 2 297.402 3.495 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000612405615 348516833 /nfs/dbraw/zinc/51/68/33/348516833.db2.gz BHXSMTSZRMDDQZ-GOSISDBHSA-N 1 2 297.402 3.495 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407113 348517548 /nfs/dbraw/zinc/51/75/48/348517548.db2.gz YSJXWGIYUKYTQQ-KRWDZBQOSA-N 1 2 288.439 3.381 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407113 348517549 /nfs/dbraw/zinc/51/75/49/348517549.db2.gz YSJXWGIYUKYTQQ-KRWDZBQOSA-N 1 2 288.439 3.381 20 30 CGEDLO COc1nc2ccccc2cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406390 348517564 /nfs/dbraw/zinc/51/75/64/348517564.db2.gz KWVRUTMGNZMPLK-GOSISDBHSA-N 1 2 295.386 3.369 20 30 CGEDLO COc1nc2ccccc2cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406390 348517565 /nfs/dbraw/zinc/51/75/65/348517565.db2.gz KWVRUTMGNZMPLK-GOSISDBHSA-N 1 2 295.386 3.369 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000612585133 348530176 /nfs/dbraw/zinc/53/01/76/348530176.db2.gz PNRDHNPATVIRDR-UHFFFAOYSA-N 1 2 299.330 3.494 20 30 CGEDLO C[N@H+](Cc1cc(O)cc(F)c1)Cc1cc(C#N)ccc1F ZINC000351998438 219282375 /nfs/dbraw/zinc/28/23/75/219282375.db2.gz ZXGILZMBLZESBH-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cc(O)cc(F)c1)Cc1cc(C#N)ccc1F ZINC000351998438 219282377 /nfs/dbraw/zinc/28/23/77/219282377.db2.gz ZXGILZMBLZESBH-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000617849064 349020047 /nfs/dbraw/zinc/02/00/47/349020047.db2.gz UDNNCWDFDKUEBW-UHFFFAOYSA-N 1 2 263.341 3.075 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000618305232 349067779 /nfs/dbraw/zinc/06/77/79/349067779.db2.gz KYMYSMPIFISSBY-CYBMUJFWSA-N 1 2 283.297 3.226 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000618305232 349067781 /nfs/dbraw/zinc/06/77/81/349067781.db2.gz KYMYSMPIFISSBY-CYBMUJFWSA-N 1 2 283.297 3.226 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000619071115 349201112 /nfs/dbraw/zinc/20/11/12/349201112.db2.gz LZECFIPIUBSPEB-LBPRGKRZSA-N 1 2 253.349 3.292 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000619071115 349201115 /nfs/dbraw/zinc/20/11/15/349201115.db2.gz LZECFIPIUBSPEB-LBPRGKRZSA-N 1 2 253.349 3.292 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000619722431 349278981 /nfs/dbraw/zinc/27/89/81/349278981.db2.gz VVBCXIJVYKRSKJ-HNNXBMFYSA-N 1 2 293.794 3.247 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620652203 349404704 /nfs/dbraw/zinc/40/47/04/349404704.db2.gz ZQUYRICWJLJCJR-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+](Cc2ncsc2Br)C1 ZINC000625705225 350201021 /nfs/dbraw/zinc/20/10/21/350201021.db2.gz NDHIHKVDWRXQKX-SECBINFHSA-N 1 2 287.226 3.304 20 30 CGEDLO C=CC[C@@H]1CC[N@H+](Cc2ncsc2Br)C1 ZINC000625705225 350201023 /nfs/dbraw/zinc/20/10/23/350201023.db2.gz NDHIHKVDWRXQKX-SECBINFHSA-N 1 2 287.226 3.304 20 30 CGEDLO C=CCN(CCc1ccccc1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628154729 350413853 /nfs/dbraw/zinc/41/38/53/350413853.db2.gz FQKBAIVQODHPOS-UHFFFAOYSA-N 1 2 269.392 3.257 20 30 CGEDLO C=CC(C)(C)CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000628314448 350495495 /nfs/dbraw/zinc/49/54/95/350495495.db2.gz ZZSCTPWSSNNUAP-UHFFFAOYSA-N 1 2 299.418 3.453 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000631560052 351066163 /nfs/dbraw/zinc/06/61/63/351066163.db2.gz PKNBEJCHOQHENY-UHFFFAOYSA-N 1 2 269.348 3.177 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632310244 351192554 /nfs/dbraw/zinc/19/25/54/351192554.db2.gz SCHIPYIXZVVRSH-HNNXBMFYSA-N 1 2 297.402 3.276 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635769304 351690033 /nfs/dbraw/zinc/69/00/33/351690033.db2.gz BWESYQXFVKEEBM-GFCCVEGCSA-N 1 2 271.364 3.117 20 30 CGEDLO N#Cc1cc(NCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000154039335 188119042 /nfs/dbraw/zinc/11/90/42/188119042.db2.gz AJTVRKGJDGCCNC-UHFFFAOYSA-N 1 2 294.280 3.276 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000336414926 213273541 /nfs/dbraw/zinc/27/35/41/213273541.db2.gz WMFBTNSXIHXUOB-HNNXBMFYSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000336414926 213273542 /nfs/dbraw/zinc/27/35/42/213273542.db2.gz WMFBTNSXIHXUOB-HNNXBMFYSA-N 1 2 286.404 3.080 20 30 CGEDLO N#Cc1cc(Cl)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269882573 283095550 /nfs/dbraw/zinc/09/55/50/283095550.db2.gz SSYGBIJXAABQNM-CQSZACIVSA-N 1 2 298.777 3.297 20 30 CGEDLO CC(C)COC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccco1 ZINC000174328824 188892471 /nfs/dbraw/zinc/89/24/71/188892471.db2.gz HLOVTXAKOIZBHM-HNNXBMFYSA-N 1 2 288.347 3.248 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000177039786 283139372 /nfs/dbraw/zinc/13/93/72/283139372.db2.gz PDTWYFXETLQPLW-HNNXBMFYSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000177039786 283139376 /nfs/dbraw/zinc/13/93/76/283139376.db2.gz PDTWYFXETLQPLW-HNNXBMFYSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000334804517 283152445 /nfs/dbraw/zinc/15/24/45/283152445.db2.gz CCGIVFLYYNMKNQ-ZWKOTPCHSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000334804517 283152447 /nfs/dbraw/zinc/15/24/47/283152447.db2.gz CCGIVFLYYNMKNQ-ZWKOTPCHSA-N 1 2 296.345 3.005 20 30 CGEDLO CCOc1ccc(C#N)cc1NCc1[nH+]ccn1C(C)C ZINC000176968296 189017397 /nfs/dbraw/zinc/01/73/97/189017397.db2.gz NTFPNFZXLRLDEY-UHFFFAOYSA-N 1 2 284.363 3.346 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000177250759 189039766 /nfs/dbraw/zinc/03/97/66/189039766.db2.gz GEXULMDZZGROSJ-LBPRGKRZSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000177250759 189039767 /nfs/dbraw/zinc/03/97/67/189039767.db2.gz GEXULMDZZGROSJ-LBPRGKRZSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000180862393 189280814 /nfs/dbraw/zinc/28/08/14/189280814.db2.gz XDQHXJLHCYTBRZ-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000180862393 189280815 /nfs/dbraw/zinc/28/08/15/189280815.db2.gz XDQHXJLHCYTBRZ-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1nc(NCCc2[nH]c3ccccc3[nH+]2)ccc1Cl ZINC000301496178 201030379 /nfs/dbraw/zinc/03/03/79/201030379.db2.gz BBYNWZOYIOMREH-UHFFFAOYSA-N 1 2 297.749 3.138 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000275431354 193034101 /nfs/dbraw/zinc/03/41/01/193034101.db2.gz FFMMGHZELNWNNO-UHFFFAOYSA-N 1 2 271.339 3.163 20 30 CGEDLO COc1cc(C[NH+]2CC(C)(CC(F)(F)F)C2)ccc1C#N ZINC000459644712 242162390 /nfs/dbraw/zinc/16/23/90/242162390.db2.gz XPMRSIHFHFSMQT-UHFFFAOYSA-N 1 2 298.308 3.341 20 30 CGEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121631907 370881283 /nfs/dbraw/zinc/88/12/83/370881283.db2.gz JQTXEXCZCLBQLY-QGZVFWFLSA-N 1 2 280.371 3.484 20 30 CGEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000121631907 370881286 /nfs/dbraw/zinc/88/12/86/370881286.db2.gz JQTXEXCZCLBQLY-QGZVFWFLSA-N 1 2 280.371 3.484 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000125729097 370941388 /nfs/dbraw/zinc/94/13/88/370941388.db2.gz SAVCRODRTDQEPO-UHFFFAOYSA-N 1 2 288.782 3.095 20 30 CGEDLO N#CC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000057907238 369550307 /nfs/dbraw/zinc/55/03/07/369550307.db2.gz DSSPNHYISRKLPA-UHFFFAOYSA-N 1 2 257.362 3.032 20 30 CGEDLO CCCCn1c(SCCC#N)nnc1[C@@H](CC)[NH+](C)C ZINC000066317150 369692724 /nfs/dbraw/zinc/69/27/24/369692724.db2.gz NOFXQYXNJKTPJX-GFCCVEGCSA-N 1 2 295.456 3.097 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1OC(F)F)C[C@@H](C)C#N ZINC000091983410 370086209 /nfs/dbraw/zinc/08/62/09/370086209.db2.gz XRRKPTXORRTJEX-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1OC(F)F)C[C@@H](C)C#N ZINC000091983410 370086217 /nfs/dbraw/zinc/08/62/17/370086217.db2.gz XRRKPTXORRTJEX-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)no1 ZINC000092254250 370094897 /nfs/dbraw/zinc/09/48/97/370094897.db2.gz HCADZGSMNFEAJK-UHFFFAOYSA-N 1 2 299.374 3.298 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)no1 ZINC000092254250 370094902 /nfs/dbraw/zinc/09/49/02/370094902.db2.gz HCADZGSMNFEAJK-UHFFFAOYSA-N 1 2 299.374 3.298 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CCC(C)C)c(OC)c1 ZINC000093100767 370110022 /nfs/dbraw/zinc/11/00/22/370110022.db2.gz PBKZGLDURJHJTK-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)c(OC)c1 ZINC000093100767 370110027 /nfs/dbraw/zinc/11/00/27/370110027.db2.gz PBKZGLDURJHJTK-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000093594743 370144771 /nfs/dbraw/zinc/14/47/71/370144771.db2.gz XJDBOBCMKAFYAZ-KDOFPFPSSA-N 1 2 296.370 3.422 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000093594743 370144776 /nfs/dbraw/zinc/14/47/76/370144776.db2.gz XJDBOBCMKAFYAZ-KDOFPFPSSA-N 1 2 296.370 3.422 20 30 CGEDLO C[N@H+](Cc1ccccc1F)Cc1ccc(F)cc1C#N ZINC000103138759 370319461 /nfs/dbraw/zinc/31/94/61/370319461.db2.gz ODICZPIXFIMRNN-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccccc1F)Cc1ccc(F)cc1C#N ZINC000103138759 370319465 /nfs/dbraw/zinc/31/94/65/370319465.db2.gz ODICZPIXFIMRNN-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO CN1CCOc2ccc([NH2+]CC(C)(C)CCC#N)cc21 ZINC000132937621 371214014 /nfs/dbraw/zinc/21/40/14/371214014.db2.gz VVRDBMNMRCPSAE-UHFFFAOYSA-N 1 2 273.380 3.257 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135230278 371404290 /nfs/dbraw/zinc/40/42/90/371404290.db2.gz LTBQRBMBLXVDBY-UHFFFAOYSA-N 1 2 291.301 3.189 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1csc(NC(C)=O)n1 ZINC000150883699 371545702 /nfs/dbraw/zinc/54/57/02/371545702.db2.gz KNRIVMRNKZJEFB-UHFFFAOYSA-N 1 2 281.425 3.280 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1csc(NC(C)=O)n1 ZINC000150883699 371545705 /nfs/dbraw/zinc/54/57/05/371545705.db2.gz KNRIVMRNKZJEFB-UHFFFAOYSA-N 1 2 281.425 3.280 20 30 CGEDLO C=C(C)CSC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289335726 371754818 /nfs/dbraw/zinc/75/48/18/371754818.db2.gz DJLFMWINYFYXDJ-CQSZACIVSA-N 1 2 290.432 3.323 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000158664797 372079834 /nfs/dbraw/zinc/07/98/34/372079834.db2.gz PLFXBLYPXCODNC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1C#N)CC2 ZINC000158664797 372079839 /nfs/dbraw/zinc/07/98/39/372079839.db2.gz PLFXBLYPXCODNC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1cc(N)nc(SCC#Cc2cccc(Cl)c2)[nH+]1 ZINC000159423287 372142547 /nfs/dbraw/zinc/14/25/47/372142547.db2.gz LUROZUKBBSNSAN-UHFFFAOYSA-N 1 2 289.791 3.164 20 30 CGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367568 372154077 /nfs/dbraw/zinc/15/40/77/372154077.db2.gz XRDXAYKPBMEFNH-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367568 372154084 /nfs/dbraw/zinc/15/40/84/372154084.db2.gz XRDXAYKPBMEFNH-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000428418218 372194635 /nfs/dbraw/zinc/19/46/35/372194635.db2.gz KHLZTZHBONMRKF-ZBFHGGJFSA-N 1 2 275.392 3.462 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCSC1CCCCC1 ZINC000428846876 372269068 /nfs/dbraw/zinc/26/90/68/372269068.db2.gz SGVPAJSEBHSGRJ-UHFFFAOYSA-N 1 2 252.427 3.454 20 30 CGEDLO C=CC[N@H+](CCC#N)CCSC1CCCCC1 ZINC000428846876 372269078 /nfs/dbraw/zinc/26/90/78/372269078.db2.gz SGVPAJSEBHSGRJ-UHFFFAOYSA-N 1 2 252.427 3.454 20 30 CGEDLO C[C@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H](C)S1 ZINC000160815670 372276999 /nfs/dbraw/zinc/27/69/99/372276999.db2.gz CAIMWABTBSYPNQ-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO CC(C)CCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000429050547 372310302 /nfs/dbraw/zinc/31/03/02/372310302.db2.gz YTJSYCXEEQXMMD-SFHVURJKSA-N 1 2 285.435 3.133 20 30 CGEDLO CC(C)CCC[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000429050547 372310309 /nfs/dbraw/zinc/31/03/09/372310309.db2.gz YTJSYCXEEQXMMD-SFHVURJKSA-N 1 2 285.435 3.133 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000293766639 372475901 /nfs/dbraw/zinc/47/59/01/372475901.db2.gz MGPRHWWKCUMXNF-UHFFFAOYSA-N 1 2 297.402 3.264 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000294632761 372661498 /nfs/dbraw/zinc/66/14/98/372661498.db2.gz YSWROCSXAHCMOK-UHFFFAOYSA-N 1 2 269.348 3.238 20 30 CGEDLO Cc1ccncc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000353383506 220053677 /nfs/dbraw/zinc/05/36/77/220053677.db2.gz QOOUPCCDYLKTMD-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccncc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000353383506 220053680 /nfs/dbraw/zinc/05/36/80/220053680.db2.gz QOOUPCCDYLKTMD-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#CC1CCC(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000440657645 372991062 /nfs/dbraw/zinc/99/10/62/372991062.db2.gz AWRJRCDLWSVFSD-UHFFFAOYSA-N 1 2 265.360 3.399 20 30 CGEDLO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cs1 ZINC000174381793 373304152 /nfs/dbraw/zinc/30/41/52/373304152.db2.gz KMFYRSKDBOAFAX-VIFPVBQESA-N 1 2 261.350 3.021 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000446754959 373358088 /nfs/dbraw/zinc/35/80/88/373358088.db2.gz YBAJOSFFNYUAIG-TZMCWYRMSA-N 1 2 255.365 3.455 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175372826 373459370 /nfs/dbraw/zinc/45/93/70/373459370.db2.gz VRHUQLMJKNTKRG-DIFFPNOSSA-N 1 2 271.813 3.169 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175372826 373459376 /nfs/dbraw/zinc/45/93/76/373459376.db2.gz VRHUQLMJKNTKRG-DIFFPNOSSA-N 1 2 271.813 3.169 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000447829253 373500361 /nfs/dbraw/zinc/50/03/61/373500361.db2.gz GFXGBRCYJMFHDK-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000447829253 373500374 /nfs/dbraw/zinc/50/03/74/373500374.db2.gz GFXGBRCYJMFHDK-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO CCS[C@@H]1CCC[C@@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000176413883 373593233 /nfs/dbraw/zinc/59/32/33/373593233.db2.gz HHVXMZXHDLHWQU-RTJZQMKSSA-N 1 2 295.404 3.287 20 30 CGEDLO COc1cc(C)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000449036697 373656011 /nfs/dbraw/zinc/65/60/11/373656011.db2.gz KXTCCYWEWBFAHN-ZDUSSCGKSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1cc(C)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000449036697 373656023 /nfs/dbraw/zinc/65/60/23/373656023.db2.gz KXTCCYWEWBFAHN-ZDUSSCGKSA-N 1 2 258.365 3.128 20 30 CGEDLO C=CCc1cc(C[NH2+][C@H](C)C(C)(F)F)cc(OC)c1O ZINC000449411896 373689265 /nfs/dbraw/zinc/68/92/65/373689265.db2.gz DAXGPSYLRZHCAW-SNVBAGLBSA-N 1 2 285.334 3.263 20 30 CGEDLO C=CCO[C@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000302155975 373823531 /nfs/dbraw/zinc/82/35/31/373823531.db2.gz MUQPNEPUQKUUSS-HNNXBMFYSA-N 1 2 284.359 3.025 20 30 CGEDLO C=C[C@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000301604417 373789777 /nfs/dbraw/zinc/78/97/77/373789777.db2.gz LUNGWABQDNFCJP-NSHDSACASA-N 1 2 254.337 3.087 20 30 CGEDLO N#Cc1cc(Cn2c[nH+]c3cc(F)c(F)cc32)ccc1F ZINC000179507534 373881280 /nfs/dbraw/zinc/88/12/80/373881280.db2.gz CTEKRQJNXGSYMT-UHFFFAOYSA-N 1 2 287.244 3.374 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc2nccn21 ZINC000180059283 373961269 /nfs/dbraw/zinc/96/12/69/373961269.db2.gz FJGMDLPYAICHOC-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc2nccn21 ZINC000180059283 373961278 /nfs/dbraw/zinc/96/12/78/373961278.db2.gz FJGMDLPYAICHOC-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1ccc(C)c(C#N)n1 ZINC000302706707 373936079 /nfs/dbraw/zinc/93/60/79/373936079.db2.gz JXZCNLPNPUQYFF-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000450608974 374165591 /nfs/dbraw/zinc/16/55/91/374165591.db2.gz CSYISQFBSTYCIS-GFCCVEGCSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000450608974 374165594 /nfs/dbraw/zinc/16/55/94/374165594.db2.gz CSYISQFBSTYCIS-GFCCVEGCSA-N 1 2 256.349 3.013 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2nccs2)c1 ZINC000182169143 374228967 /nfs/dbraw/zinc/22/89/67/374228967.db2.gz DWCUENVPTGXHEM-HPUUJOOBSA-N 1 2 290.388 3.470 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329315375 374403990 /nfs/dbraw/zinc/40/39/90/374403990.db2.gz QKBCLMFJHXNYGD-HZSPNIEDSA-N 1 2 290.411 3.082 20 30 CGEDLO CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000328788469 374382289 /nfs/dbraw/zinc/38/22/89/374382289.db2.gz XSTMEWKUXGYXHL-WZRBSPASSA-N 1 2 277.368 3.069 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341898 374672119 /nfs/dbraw/zinc/67/21/19/374672119.db2.gz PBLJINIZVHGYBQ-ZYHUDNBSSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341898 374672125 /nfs/dbraw/zinc/67/21/25/374672125.db2.gz PBLJINIZVHGYBQ-ZYHUDNBSSA-N 1 2 262.303 3.015 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccco1 ZINC000187486272 375029130 /nfs/dbraw/zinc/02/91/30/375029130.db2.gz NQGXYQALRYSZAY-CQSZACIVSA-N 1 2 290.750 3.282 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Cl)n1C ZINC000187717895 375079841 /nfs/dbraw/zinc/07/98/41/375079841.db2.gz LZEXHFXXQPXZDC-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000187717895 375079847 /nfs/dbraw/zinc/07/98/47/375079847.db2.gz LZEXHFXXQPXZDC-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000187631635 375061036 /nfs/dbraw/zinc/06/10/36/375061036.db2.gz SUPXTOPGRUZECF-QGZVFWFLSA-N 1 2 299.374 3.244 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000481567469 375165885 /nfs/dbraw/zinc/16/58/85/375165885.db2.gz JSWBPEIYQNRBGM-WBVHZDCISA-N 1 2 289.419 3.414 20 30 CGEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCC#N ZINC000487948119 375288155 /nfs/dbraw/zinc/28/81/55/375288155.db2.gz MBVNONZPVJJFGF-SNVBAGLBSA-N 1 2 254.280 3.194 20 30 CGEDLO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCC#N ZINC000487948119 375288159 /nfs/dbraw/zinc/28/81/59/375288159.db2.gz MBVNONZPVJJFGF-SNVBAGLBSA-N 1 2 254.280 3.194 20 30 CGEDLO N#Cc1ccc(CNc2[nH+]cccc2OC(F)F)cc1 ZINC000189270886 375352515 /nfs/dbraw/zinc/35/25/15/375352515.db2.gz QLUDTJWVNFSCQA-UHFFFAOYSA-N 1 2 275.258 3.167 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000335911571 375534863 /nfs/dbraw/zinc/53/48/63/375534863.db2.gz NTCHXDYZUPRYSP-GFCCVEGCSA-N 1 2 279.343 3.312 20 30 CGEDLO CC(C)C[C@H](C[N@H+](C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746117 375552760 /nfs/dbraw/zinc/55/27/60/375552760.db2.gz ROZCHEQJSLWHSD-UONOGXRCSA-N 1 2 297.443 3.017 20 30 CGEDLO CC(C)C[C@H](C[N@@H+](C)C[C@@H](C)C#N)NC(=O)OC(C)(C)C ZINC000496746117 375552766 /nfs/dbraw/zinc/55/27/66/375552766.db2.gz ROZCHEQJSLWHSD-UONOGXRCSA-N 1 2 297.443 3.017 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccoc2)n1 ZINC000191145629 375583783 /nfs/dbraw/zinc/58/37/83/375583783.db2.gz SSWVCCFBYDTJAB-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccoc2)n1 ZINC000191145629 375583791 /nfs/dbraw/zinc/58/37/91/375583791.db2.gz SSWVCCFBYDTJAB-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO N#Cc1ccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)s1 ZINC000508518030 375748750 /nfs/dbraw/zinc/74/87/50/375748750.db2.gz KTQBWQRHTIZMEV-UHFFFAOYSA-N 1 2 288.763 3.183 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000336568709 375838236 /nfs/dbraw/zinc/83/82/36/375838236.db2.gz SHJDAAMSKJIRSS-OAHLLOKOSA-N 1 2 281.359 3.053 20 30 CGEDLO C=C1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528384105 375900625 /nfs/dbraw/zinc/90/06/25/375900625.db2.gz VRXSHHNWFWNJMS-UHFFFAOYSA-N 1 2 256.271 3.252 20 30 CGEDLO CC[C@@H](CO)[N@H+](CC#N)C1CCC(C(C)(C)C)CC1 ZINC000528568107 375904894 /nfs/dbraw/zinc/90/48/94/375904894.db2.gz JJAJFYIRXPAGSC-SLTAFYQDSA-N 1 2 266.429 3.188 20 30 CGEDLO CC[C@@H](CO)[N@@H+](CC#N)C1CCC(C(C)(C)C)CC1 ZINC000528568107 375904897 /nfs/dbraw/zinc/90/48/97/375904897.db2.gz JJAJFYIRXPAGSC-SLTAFYQDSA-N 1 2 266.429 3.188 20 30 CGEDLO N#CCCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528714457 375908414 /nfs/dbraw/zinc/90/84/14/375908414.db2.gz LMTYVABMBGFXGA-UHFFFAOYSA-N 1 2 268.282 3.367 20 30 CGEDLO N#CCCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528714457 375908421 /nfs/dbraw/zinc/90/84/21/375908421.db2.gz LMTYVABMBGFXGA-UHFFFAOYSA-N 1 2 268.282 3.367 20 30 CGEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000194987578 376068890 /nfs/dbraw/zinc/06/88/90/376068890.db2.gz KMIALMIKGWDVML-UHFFFAOYSA-N 1 2 288.391 3.110 20 30 CGEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000194987578 376068895 /nfs/dbraw/zinc/06/88/95/376068895.db2.gz KMIALMIKGWDVML-UHFFFAOYSA-N 1 2 288.391 3.110 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000337500521 376225950 /nfs/dbraw/zinc/22/59/50/376225950.db2.gz CLTYBBGJDIBWRI-UHFFFAOYSA-N 1 2 283.375 3.110 20 30 CGEDLO CC[C@H](CC#N)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338180488 376275537 /nfs/dbraw/zinc/27/55/37/376275537.db2.gz MQQZUQRTTYVSHK-CYBMUJFWSA-N 1 2 295.342 3.296 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1cc(F)ccc1C#N ZINC000229958083 376478022 /nfs/dbraw/zinc/47/80/22/376478022.db2.gz PSPUVQRHXOOTOX-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1cc(F)ccc1C#N ZINC000229958083 376478030 /nfs/dbraw/zinc/47/80/30/376478030.db2.gz PSPUVQRHXOOTOX-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)o1 ZINC000541685549 376471087 /nfs/dbraw/zinc/47/10/87/376471087.db2.gz RHFKNEYCDFEURD-LLVKDONJSA-N 1 2 284.363 3.030 20 30 CGEDLO COc1cc(C[NH+]2Cc3ccccc3C2)ccc1C#N ZINC000235005721 376629034 /nfs/dbraw/zinc/62/90/34/376629034.db2.gz VRHHNCSDKCMSKG-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO C=C1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000264480204 190113068 /nfs/dbraw/zinc/11/30/68/190113068.db2.gz PXNXTOSOBMHJTL-UHFFFAOYSA-N 1 2 275.783 3.379 20 30 CGEDLO CCc1nocc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000339605092 376771537 /nfs/dbraw/zinc/77/15/37/376771537.db2.gz DMDLININZAAMDL-UHFFFAOYSA-N 1 2 289.766 3.394 20 30 CGEDLO CCc1nocc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000339605092 376771545 /nfs/dbraw/zinc/77/15/45/376771545.db2.gz DMDLININZAAMDL-UHFFFAOYSA-N 1 2 289.766 3.394 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000339758448 376835034 /nfs/dbraw/zinc/83/50/34/376835034.db2.gz HTGKEIIIUAAMLC-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000339758448 376835044 /nfs/dbraw/zinc/83/50/44/376835044.db2.gz HTGKEIIIUAAMLC-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO CC[C@]1(C)COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000565637938 377489141 /nfs/dbraw/zinc/48/91/41/377489141.db2.gz QNAMQZKJFAYTGE-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@]1(C)COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000565637938 377489149 /nfs/dbraw/zinc/48/91/49/377489149.db2.gz QNAMQZKJFAYTGE-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO C=CCCC[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000341524414 377606320 /nfs/dbraw/zinc/60/63/20/377606320.db2.gz QERZZUSGMKTONN-JTQLQIEISA-N 1 2 262.382 3.200 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342067011 377627435 /nfs/dbraw/zinc/62/74/35/377627435.db2.gz NJOGCEQRZJHUFV-UHFFFAOYSA-N 1 2 295.386 3.461 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4cccnc43)n2c1 ZINC000342736464 377763927 /nfs/dbraw/zinc/76/39/27/377763927.db2.gz XMNWZDOCMSXESU-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000343323738 377953870 /nfs/dbraw/zinc/95/38/70/377953870.db2.gz VYDUZVYNJFVPPH-INIZCTEOSA-N 1 2 288.366 3.110 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000343323738 377953874 /nfs/dbraw/zinc/95/38/74/377953874.db2.gz VYDUZVYNJFVPPH-INIZCTEOSA-N 1 2 288.366 3.110 20 30 CGEDLO COc1cc[nH+]cc1CSc1ccc(C#N)cc1 ZINC000343837238 378109583 /nfs/dbraw/zinc/10/95/83/378109583.db2.gz VLZQPMKXMURPAY-UHFFFAOYSA-N 1 2 256.330 3.254 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000269417753 378218931 /nfs/dbraw/zinc/21/89/31/378218931.db2.gz QSJGJTSEXLJQGL-MRXNPFEDSA-N 1 2 283.375 3.097 20 30 CGEDLO CCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1F ZINC000579664747 378181243 /nfs/dbraw/zinc/18/12/43/378181243.db2.gz FPQFSMNHTHSXOV-UHFFFAOYSA-N 1 2 264.344 3.348 20 30 CGEDLO CCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1F ZINC000579664747 378181247 /nfs/dbraw/zinc/18/12/47/378181247.db2.gz FPQFSMNHTHSXOV-UHFFFAOYSA-N 1 2 264.344 3.348 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1csc(C)n1)c1ccccc1 ZINC000270155113 378314821 /nfs/dbraw/zinc/31/48/21/378314821.db2.gz DQHPTAPLEDVVLN-OAHLLOKOSA-N 1 2 256.374 3.306 20 30 CGEDLO COc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1C#N ZINC000270284752 378330565 /nfs/dbraw/zinc/33/05/65/378330565.db2.gz MQRJVLBWNZESAH-UHFFFAOYSA-N 1 2 296.292 3.261 20 30 CGEDLO COc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1C#N ZINC000270284752 378330568 /nfs/dbraw/zinc/33/05/68/378330568.db2.gz MQRJVLBWNZESAH-UHFFFAOYSA-N 1 2 296.292 3.261 20 30 CGEDLO Cn1cc([C@@H]2C[N@@H+]([C@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505938 378402543 /nfs/dbraw/zinc/40/25/43/378402543.db2.gz XWNOAKLXQNUBQZ-DLBZAZTESA-N 1 2 294.402 3.110 20 30 CGEDLO Cn1cc([C@@H]2C[N@H+]([C@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505938 378402548 /nfs/dbraw/zinc/40/25/48/378402548.db2.gz XWNOAKLXQNUBQZ-DLBZAZTESA-N 1 2 294.402 3.110 20 30 CGEDLO C#CCCC[NH2+][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000272235776 378593002 /nfs/dbraw/zinc/59/30/02/378593002.db2.gz IQTKYYDUZUGZOF-HNNXBMFYSA-N 1 2 273.376 3.072 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2ccc(OCC)cc2)n1)C1CC1 ZINC000274027498 378765758 /nfs/dbraw/zinc/76/57/58/378765758.db2.gz CWGLOGRELJBBRC-UHFFFAOYSA-N 1 2 296.370 3.338 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2ccc(OCC)cc2)n1)C1CC1 ZINC000274027498 378765766 /nfs/dbraw/zinc/76/57/66/378765766.db2.gz CWGLOGRELJBBRC-UHFFFAOYSA-N 1 2 296.370 3.338 20 30 CGEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)n1 ZINC000348104157 378793400 /nfs/dbraw/zinc/79/34/00/378793400.db2.gz AGCWTXBJWDZQNA-LLVKDONJSA-N 1 2 284.363 3.030 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000348286547 378888647 /nfs/dbraw/zinc/88/86/47/378888647.db2.gz SBNDPTFHOCLJJW-NOZJJQNGSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000348286547 378888655 /nfs/dbraw/zinc/88/86/55/378888655.db2.gz SBNDPTFHOCLJJW-NOZJJQNGSA-N 1 2 286.272 3.470 20 30 CGEDLO Cc1cnc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000638897356 378949251 /nfs/dbraw/zinc/94/92/51/378949251.db2.gz HATIUHXMYLQEBF-UHFFFAOYSA-N 1 2 294.276 3.143 20 30 CGEDLO C=C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000276860868 379008520 /nfs/dbraw/zinc/00/85/20/379008520.db2.gz GHASIGRSKIONPK-UHFFFAOYSA-N 1 2 291.192 3.473 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)[nH]1 ZINC000277515647 379177796 /nfs/dbraw/zinc/17/77/96/379177796.db2.gz WWKGHEVZBGEWOT-UWVGGRQHSA-N 1 2 289.408 3.102 20 30 CGEDLO COCc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000266495428 190261054 /nfs/dbraw/zinc/26/10/54/190261054.db2.gz AOCNLIGGPIKLQS-LLVKDONJSA-N 1 2 287.388 3.012 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000349747406 379366442 /nfs/dbraw/zinc/36/64/42/379366442.db2.gz SFFMZXDECCPHRJ-GOSISDBHSA-N 1 2 298.430 3.414 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540701 379456890 /nfs/dbraw/zinc/45/68/90/379456890.db2.gz YGEGOUAVIXZIQC-STQMWFEESA-N 1 2 299.340 3.484 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540701 379456898 /nfs/dbraw/zinc/45/68/98/379456898.db2.gz YGEGOUAVIXZIQC-STQMWFEESA-N 1 2 299.340 3.484 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350013717 379479385 /nfs/dbraw/zinc/47/93/85/379479385.db2.gz PJVWAKWJZJOZOQ-PGLGOXFNSA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350013717 379479390 /nfs/dbraw/zinc/47/93/90/379479390.db2.gz PJVWAKWJZJOZOQ-PGLGOXFNSA-N 1 2 250.292 3.212 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000266891511 190288274 /nfs/dbraw/zinc/28/82/74/190288274.db2.gz CWOCCZOVPRUMDA-SNVBAGLBSA-N 1 2 289.404 3.030 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000266891511 190288275 /nfs/dbraw/zinc/28/82/75/190288275.db2.gz CWOCCZOVPRUMDA-SNVBAGLBSA-N 1 2 289.404 3.030 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nc(-c2cccs2)oc1C ZINC000266924587 190291038 /nfs/dbraw/zinc/29/10/38/190291038.db2.gz NBDGMMZTTWAMCM-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO C#CC[N@H+](CC)Cc1nc(-c2cccs2)oc1C ZINC000266924587 190291039 /nfs/dbraw/zinc/29/10/39/190291039.db2.gz NBDGMMZTTWAMCM-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO C[N@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000640029568 379693279 /nfs/dbraw/zinc/69/32/79/379693279.db2.gz JGPKSDXMKKJACE-DZGCQCFKSA-N 1 2 274.339 3.023 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000640029568 379693287 /nfs/dbraw/zinc/69/32/87/379693287.db2.gz JGPKSDXMKKJACE-DZGCQCFKSA-N 1 2 274.339 3.023 20 30 CGEDLO C[N@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000640029571 379694379 /nfs/dbraw/zinc/69/43/79/379694379.db2.gz JGPKSDXMKKJACE-ZFWWWQNUSA-N 1 2 274.339 3.023 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000640029571 379694383 /nfs/dbraw/zinc/69/43/83/379694383.db2.gz JGPKSDXMKKJACE-ZFWWWQNUSA-N 1 2 274.339 3.023 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000280705521 379768938 /nfs/dbraw/zinc/76/89/38/379768938.db2.gz HFUAZEQLDLMQTO-WBMJQRKESA-N 1 2 269.348 3.023 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000352823920 379983664 /nfs/dbraw/zinc/98/36/64/379983664.db2.gz PCXPHLXUCIKFLL-HOCLYGCPSA-N 1 2 299.399 3.025 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)o1 ZINC000352843113 379998368 /nfs/dbraw/zinc/99/83/68/379998368.db2.gz XOHWICJMJBBWNC-SECBINFHSA-N 1 2 261.350 3.075 20 30 CGEDLO COc1c(C[NH2+]Cc2nc(C#N)cs2)oc2ccccc21 ZINC000352875653 380015982 /nfs/dbraw/zinc/01/59/82/380015982.db2.gz YIIFMKYUUKNRRT-UHFFFAOYSA-N 1 2 299.355 3.059 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000267966797 190365828 /nfs/dbraw/zinc/36/58/28/190365828.db2.gz ALDYOMOSFMFYQK-NSHDSACASA-N 1 2 286.404 3.384 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000353167355 380149055 /nfs/dbraw/zinc/14/90/55/380149055.db2.gz FKNJKMWWNHRRJE-AWEZNQCLSA-N 1 2 280.318 3.057 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000353167355 380149068 /nfs/dbraw/zinc/14/90/68/380149068.db2.gz FKNJKMWWNHRRJE-AWEZNQCLSA-N 1 2 280.318 3.057 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000411317370 380142820 /nfs/dbraw/zinc/14/28/20/380142820.db2.gz AGIWWYZWHVIIEO-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000411317370 380142823 /nfs/dbraw/zinc/14/28/23/380142823.db2.gz AGIWWYZWHVIIEO-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1c(F)cncc1F ZINC000353214728 380171835 /nfs/dbraw/zinc/17/18/35/380171835.db2.gz AVZIOQWFEFHVOZ-VIFPVBQESA-N 1 2 291.276 3.221 20 30 CGEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000414108712 380191282 /nfs/dbraw/zinc/19/12/82/380191282.db2.gz UFZJGUDRLUAGQQ-CJNGLKHVSA-N 1 2 268.364 3.116 20 30 CGEDLO COc1cc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000354045674 380298151 /nfs/dbraw/zinc/29/81/51/380298151.db2.gz XVAFUFAEJKGNID-LBPRGKRZSA-N 1 2 288.391 3.136 20 30 CGEDLO COc1cc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000354045674 380298158 /nfs/dbraw/zinc/29/81/58/380298158.db2.gz XVAFUFAEJKGNID-LBPRGKRZSA-N 1 2 288.391 3.136 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1conc1CC ZINC000354356579 380411064 /nfs/dbraw/zinc/41/10/64/380411064.db2.gz SAHKJOVHZFCKHI-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)Cc1conc1CC ZINC000354356579 380411067 /nfs/dbraw/zinc/41/10/67/380411067.db2.gz SAHKJOVHZFCKHI-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO CC#CC[C@@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000645407087 380673659 /nfs/dbraw/zinc/67/36/59/380673659.db2.gz LDTHJAAUVBEEBN-NSHDSACASA-N 1 2 274.751 3.074 20 30 CGEDLO C=CCCC1(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000356417518 380800271 /nfs/dbraw/zinc/80/02/71/380800271.db2.gz JIXCBNCUNUHROF-LSDHHAIUSA-N 1 2 287.407 3.039 20 30 CGEDLO Cc1cccc(CCSCc2nc(C#N)cs2)[nH+]1 ZINC000572483576 322339497 /nfs/dbraw/zinc/33/94/97/322339497.db2.gz FQIXSWZVCAEWHL-UHFFFAOYSA-N 1 2 275.402 3.194 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1Cl ZINC000358283386 381300378 /nfs/dbraw/zinc/30/03/78/381300378.db2.gz UYZKTRNGJNJENE-LLVKDONJSA-N 1 2 252.745 3.130 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000350555959 219035126 /nfs/dbraw/zinc/03/51/26/219035126.db2.gz IQMCOJGTKUXDLU-MRXNPFEDSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000350555959 219035128 /nfs/dbraw/zinc/03/51/28/219035128.db2.gz IQMCOJGTKUXDLU-MRXNPFEDSA-N 1 2 298.411 3.063 20 30 CGEDLO C=CC[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000171146186 335056840 /nfs/dbraw/zinc/05/68/40/335056840.db2.gz WKSGWSPVQIYMBK-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000171146186 335056841 /nfs/dbraw/zinc/05/68/41/335056841.db2.gz WKSGWSPVQIYMBK-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CCOc1ccc(C[NH2+]CC(F)F)cc1Cl ZINC000290095215 392441019 /nfs/dbraw/zinc/44/10/19/392441019.db2.gz NAWMDGRSIOONDD-UHFFFAOYSA-N 1 2 261.699 3.260 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3c(F)cccc3C2)s1 ZINC000365326720 392443905 /nfs/dbraw/zinc/44/39/05/392443905.db2.gz XITTZLGWJSWPCG-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)s1 ZINC000365326720 392443909 /nfs/dbraw/zinc/44/39/09/392443909.db2.gz XITTZLGWJSWPCG-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO C=CCCC[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301986699 392605465 /nfs/dbraw/zinc/60/54/65/392605465.db2.gz DANAGHAVRJAMGL-NSHDSACASA-N 1 2 256.353 3.369 20 30 CGEDLO N#CC1(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000334289997 392717678 /nfs/dbraw/zinc/71/76/78/392717678.db2.gz LLZPGFKXDRKMAE-KRWDZBQOSA-N 1 2 277.371 3.197 20 30 CGEDLO N#CC1(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000334289997 392717683 /nfs/dbraw/zinc/71/76/83/392717683.db2.gz LLZPGFKXDRKMAE-KRWDZBQOSA-N 1 2 277.371 3.197 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375939759 392845249 /nfs/dbraw/zinc/84/52/49/392845249.db2.gz BOQFRWVBMSEYGX-CQSZACIVSA-N 1 2 294.402 3.284 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(C)nc1 ZINC000338936980 392935993 /nfs/dbraw/zinc/93/59/93/392935993.db2.gz UXMSGOZNZGYBAJ-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(C)nc1 ZINC000338936980 392935998 /nfs/dbraw/zinc/93/59/98/392935998.db2.gz UXMSGOZNZGYBAJ-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C[N@H+](Cc1ccc(-c2ncco2)cc1F)CC(C)(C)C#N ZINC000411807080 392988854 /nfs/dbraw/zinc/98/88/54/392988854.db2.gz XDJBWCFAMUKNBF-UHFFFAOYSA-N 1 2 287.338 3.462 20 30 CGEDLO C[N@@H+](Cc1ccc(-c2ncco2)cc1F)CC(C)(C)C#N ZINC000411807080 392988855 /nfs/dbraw/zinc/98/88/55/392988855.db2.gz XDJBWCFAMUKNBF-UHFFFAOYSA-N 1 2 287.338 3.462 20 30 CGEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000411901025 392990371 /nfs/dbraw/zinc/99/03/71/392990371.db2.gz DIXSEQYOYOQROA-LBPRGKRZSA-N 1 2 280.412 3.121 20 30 CGEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000411901025 392990376 /nfs/dbraw/zinc/99/03/76/392990376.db2.gz DIXSEQYOYOQROA-LBPRGKRZSA-N 1 2 280.412 3.121 20 30 CGEDLO C[N@H+](CCCCC(C)(C)C#N)Cc1noc(C2CC2)n1 ZINC000412070569 392994573 /nfs/dbraw/zinc/99/45/73/392994573.db2.gz IOSRQHUUMVUDBU-UHFFFAOYSA-N 1 2 276.384 3.099 20 30 CGEDLO C[N@@H+](CCCCC(C)(C)C#N)Cc1noc(C2CC2)n1 ZINC000412070569 392994578 /nfs/dbraw/zinc/99/45/78/392994578.db2.gz IOSRQHUUMVUDBU-UHFFFAOYSA-N 1 2 276.384 3.099 20 30 CGEDLO Cc1cc([C@H]2C[N@H+](CCC(C)(C)C#N)CCO2)ccc1F ZINC000537411359 393000165 /nfs/dbraw/zinc/00/01/65/393000165.db2.gz MNKNEPDFHYTXQT-MRXNPFEDSA-N 1 2 290.382 3.447 20 30 CGEDLO Cc1cc([C@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)ccc1F ZINC000537411359 393000172 /nfs/dbraw/zinc/00/01/72/393000172.db2.gz MNKNEPDFHYTXQT-MRXNPFEDSA-N 1 2 290.382 3.447 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000348767968 393130698 /nfs/dbraw/zinc/13/06/98/393130698.db2.gz YPZYERBVCUCTNN-AWEZNQCLSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000348767968 393130702 /nfs/dbraw/zinc/13/07/02/393130702.db2.gz YPZYERBVCUCTNN-AWEZNQCLSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCC1(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CCC1 ZINC000648709326 393214443 /nfs/dbraw/zinc/21/44/43/393214443.db2.gz QSTVZEZIQHKLTO-UHFFFAOYSA-N 1 2 297.402 3.048 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000355453087 393328735 /nfs/dbraw/zinc/32/87/35/393328735.db2.gz FVUGQNKCXBFVIJ-AWEZNQCLSA-N 1 2 288.391 3.005 20 30 CGEDLO C=CCNC(=O)[C@@H](C)SCc1ccc(C(C)C)[nH+]c1C ZINC000419489999 393392676 /nfs/dbraw/zinc/39/26/76/393392676.db2.gz HBVYPDNOIWBFKR-CYBMUJFWSA-N 1 2 292.448 3.437 20 30 CGEDLO C=CCCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281835826 393355685 /nfs/dbraw/zinc/35/56/85/393355685.db2.gz PDTQYWCCYMZPLD-AWEZNQCLSA-N 1 2 275.396 3.313 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(C#N)c(C)c2)o1 ZINC000488433977 393512156 /nfs/dbraw/zinc/51/21/56/393512156.db2.gz RYLZFQALJLIHTA-QGZVFWFLSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(C#N)c(C)c2)o1 ZINC000488433977 393512159 /nfs/dbraw/zinc/51/21/59/393512159.db2.gz RYLZFQALJLIHTA-QGZVFWFLSA-N 1 2 296.370 3.342 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(c3ccccc3F)C2)c(F)c1 ZINC000361018695 393644512 /nfs/dbraw/zinc/64/45/12/393644512.db2.gz URNMWEROWNHWHF-UHFFFAOYSA-N 1 2 284.309 3.436 20 30 CGEDLO C=CCC(CC=C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000675159424 543318759 /nfs/dbraw/zinc/31/87/59/543318759.db2.gz HNFIMYBJQQXFDD-UHFFFAOYSA-N 1 2 297.402 3.070 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000065162971 165033601 /nfs/dbraw/zinc/03/36/01/165033601.db2.gz CCNOGOWPMRHDBV-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccccc1C#N)CC2 ZINC000065162971 165033604 /nfs/dbraw/zinc/03/36/04/165033604.db2.gz CCNOGOWPMRHDBV-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3cccc(C#N)c3)cn2c1 ZINC000102680578 165412733 /nfs/dbraw/zinc/41/27/33/165412733.db2.gz ALGICAXKGVBWMT-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc[nH+]1 ZINC000127179498 287282669 /nfs/dbraw/zinc/28/26/69/287282669.db2.gz AIKRLUSTFVMALC-UHFFFAOYSA-N 1 2 295.342 3.058 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000127708544 287294282 /nfs/dbraw/zinc/29/42/82/287294282.db2.gz XAEZFEYTVKEDCJ-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000127708544 287294285 /nfs/dbraw/zinc/29/42/85/287294285.db2.gz XAEZFEYTVKEDCJ-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000680426880 543711250 /nfs/dbraw/zinc/71/12/50/543711250.db2.gz JTSULUMGYGZMSF-KGLIPLIRSA-N 1 2 283.375 3.113 20 30 CGEDLO C=CCCn1cc(C[N@H+](CC=C)Cc2ccccc2)nn1 ZINC000653483524 419035153 /nfs/dbraw/zinc/03/51/53/419035153.db2.gz RNWZROVLWYKOCE-UHFFFAOYSA-N 1 2 282.391 3.042 20 30 CGEDLO C=CCCn1cc(C[N@@H+](CC=C)Cc2ccccc2)nn1 ZINC000653483524 419035157 /nfs/dbraw/zinc/03/51/57/419035157.db2.gz RNWZROVLWYKOCE-UHFFFAOYSA-N 1 2 282.391 3.042 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000661470699 419263450 /nfs/dbraw/zinc/26/34/50/419263450.db2.gz VOCZZIQMJIGSFB-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000661470699 419263452 /nfs/dbraw/zinc/26/34/52/419263452.db2.gz VOCZZIQMJIGSFB-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CCOCC[N@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661735833 419292941 /nfs/dbraw/zinc/29/29/41/419292941.db2.gz JPOQYLUJUAMXGF-INIZCTEOSA-N 1 2 293.382 3.180 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661735833 419292944 /nfs/dbraw/zinc/29/29/44/419292944.db2.gz JPOQYLUJUAMXGF-INIZCTEOSA-N 1 2 293.382 3.180 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000356094136 228118061 /nfs/dbraw/zinc/11/80/61/228118061.db2.gz VYPRDHPSEYPTPX-UHFFFAOYSA-N 1 2 297.427 3.469 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000332384391 228157573 /nfs/dbraw/zinc/15/75/73/228157573.db2.gz INRFFRBLTQUSAB-KBPBESRZSA-N 1 2 270.380 3.176 20 30 CGEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)sc1Br ZINC000352097596 228182386 /nfs/dbraw/zinc/18/23/86/228182386.db2.gz UIIVBYXSVSACRI-QMMMGPOBSA-N 1 2 287.226 3.411 20 30 CGEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)sc1Br ZINC000352097596 228182387 /nfs/dbraw/zinc/18/23/87/228182387.db2.gz UIIVBYXSVSACRI-QMMMGPOBSA-N 1 2 287.226 3.411 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000064931399 260242345 /nfs/dbraw/zinc/24/23/45/260242345.db2.gz ZAQJARPJZLKLCE-JTQLQIEISA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000064931399 260242347 /nfs/dbraw/zinc/24/23/47/260242347.db2.gz ZAQJARPJZLKLCE-JTQLQIEISA-N 1 2 254.280 3.022 20 30 CGEDLO N#CCc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000313408432 260292177 /nfs/dbraw/zinc/29/21/77/260292177.db2.gz IVVZKVNPDCAPPV-UHFFFAOYSA-N 1 2 292.386 3.229 20 30 CGEDLO COc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)c(OC)c1OC ZINC000185731968 262068799 /nfs/dbraw/zinc/06/87/99/262068799.db2.gz UNRLZHOEECXVBV-NEPJUHHUSA-N 1 2 290.363 3.207 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000364000430 262087421 /nfs/dbraw/zinc/08/74/21/262087421.db2.gz GAKJWKGYUGDDQG-NVXWUHKLSA-N 1 2 289.423 3.244 20 30 CGEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000364000430 262087422 /nfs/dbraw/zinc/08/74/22/262087422.db2.gz GAKJWKGYUGDDQG-NVXWUHKLSA-N 1 2 289.423 3.244 20 30 CGEDLO N#CCCOCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000339171413 262608500 /nfs/dbraw/zinc/60/85/00/262608500.db2.gz OOKBVARGYDJOGV-HNNXBMFYSA-N 1 2 296.773 3.141 20 30 CGEDLO N#CCCOCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000339171413 262608504 /nfs/dbraw/zinc/60/85/04/262608504.db2.gz OOKBVARGYDJOGV-HNNXBMFYSA-N 1 2 296.773 3.141 20 30 CGEDLO CC1(C)CCC[N@H+](C[C@H]2CCC(F)(F)C2)[C@@H]1C#N ZINC000450857312 262690958 /nfs/dbraw/zinc/69/09/58/262690958.db2.gz JLDHBBHFPFGUNK-NWDGAFQWSA-N 1 2 256.340 3.436 20 30 CGEDLO CC1(C)CCC[N@@H+](C[C@H]2CCC(F)(F)C2)[C@@H]1C#N ZINC000450857312 262690959 /nfs/dbraw/zinc/69/09/59/262690959.db2.gz JLDHBBHFPFGUNK-NWDGAFQWSA-N 1 2 256.340 3.436 20 30 CGEDLO Cc1csc([C@H](C)C/[NH+]=C/c2cccc(O)c2O)n1 ZINC000273210057 263013992 /nfs/dbraw/zinc/01/39/92/263013992.db2.gz NBDARAZVXRQQDU-NEFPKRPYSA-N 1 2 276.361 3.085 20 30 CGEDLO C[C@H]1COCC[C@@H]1/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000277382854 263040854 /nfs/dbraw/zinc/04/08/54/263040854.db2.gz NHJWDPBFZSEWQO-XSERPLDASA-N 1 2 269.344 3.389 20 30 CGEDLO CC(C)[N@@H+]1CC[C@@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279335666 263054920 /nfs/dbraw/zinc/05/49/20/263054920.db2.gz UKUJNAUWTYKAMN-HUUCEWRRSA-N 1 2 295.789 3.116 20 30 CGEDLO CC(C)[N@H+]1CC[C@@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279335666 263054921 /nfs/dbraw/zinc/05/49/21/263054921.db2.gz UKUJNAUWTYKAMN-HUUCEWRRSA-N 1 2 295.789 3.116 20 30 CGEDLO N#CC1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000281695502 263071277 /nfs/dbraw/zinc/07/12/77/263071277.db2.gz SEVGNDOMFDBPHS-UHFFFAOYSA-N 1 2 256.353 3.096 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1cccc(OCC)c1O ZINC000281696046 263071332 /nfs/dbraw/zinc/07/13/32/263071332.db2.gz GVNIXAYRADVONH-CGCYPQJHSA-N 1 2 289.375 3.191 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000341983437 263371030 /nfs/dbraw/zinc/37/10/30/263371030.db2.gz FTMNCEKKWRMVBZ-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=C(C)COCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000125681227 264023384 /nfs/dbraw/zinc/02/33/84/264023384.db2.gz SMLCLXACUVTMPT-UHFFFAOYSA-N 1 2 260.259 3.105 20 30 CGEDLO CC(C)(C)c1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000330864154 264057388 /nfs/dbraw/zinc/05/73/88/264057388.db2.gz WTFYUWPTTOBLFL-CZUORRHYSA-N 1 2 299.418 3.204 20 30 CGEDLO CC[C@H](C[C@@H](C)CO)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331322956 264189616 /nfs/dbraw/zinc/18/96/16/264189616.db2.gz LLWBFLIUONSZGQ-QMTHXVAHSA-N 1 2 293.411 3.130 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000331322773 264189889 /nfs/dbraw/zinc/18/98/89/264189889.db2.gz FMWYIIVIMSXPBH-GDBMZVCRSA-N 1 2 285.391 3.030 20 30 CGEDLO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331360219 264209165 /nfs/dbraw/zinc/20/91/65/264209165.db2.gz XOIXHEXMZINQAE-DZGCQCFKSA-N 1 2 299.418 3.204 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127799251 264268686 /nfs/dbraw/zinc/26/86/86/264268686.db2.gz RAPHTUIBRYDENG-AWEZNQCLSA-N 1 2 283.318 3.237 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000127799251 264268688 /nfs/dbraw/zinc/26/86/88/264268688.db2.gz RAPHTUIBRYDENG-AWEZNQCLSA-N 1 2 283.318 3.237 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469655 266121020 /nfs/dbraw/zinc/12/10/20/266121020.db2.gz FBCFQLZCSNKWTF-VXGBXAGGSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469655 266121022 /nfs/dbraw/zinc/12/10/22/266121022.db2.gz FBCFQLZCSNKWTF-VXGBXAGGSA-N 1 2 261.325 3.137 20 30 CGEDLO CCOc1cccc2cc([C@H](C)[NH2+]CCC#N)oc21 ZINC000357380302 266286549 /nfs/dbraw/zinc/28/65/49/266286549.db2.gz RNDCGGNPGKWSLO-NSHDSACASA-N 1 2 258.321 3.396 20 30 CGEDLO C=CCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000359062772 266529548 /nfs/dbraw/zinc/52/95/48/266529548.db2.gz ACUDYFLBTKNOSU-UHFFFAOYSA-N 1 2 255.321 3.167 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000367837775 267121259 /nfs/dbraw/zinc/12/12/59/267121259.db2.gz VRTMHQBNCXGBKY-VHSXEESVSA-N 1 2 296.321 3.058 20 30 CGEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(OC(F)F)c1 ZINC000418140921 267362263 /nfs/dbraw/zinc/36/22/63/267362263.db2.gz KGYYYRZLTRHDQR-UHFFFAOYSA-N 1 2 296.317 3.080 20 30 CGEDLO Cc1ccc(C2CCN(c3ncc(C#N)cc3F)CC2)c[nH+]1 ZINC000521578958 268034126 /nfs/dbraw/zinc/03/41/26/268034126.db2.gz LTVGOJKPIZYDQG-UHFFFAOYSA-N 1 2 296.349 3.180 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)s1 ZINC000531147735 268204570 /nfs/dbraw/zinc/20/45/70/268204570.db2.gz QBIPJFKGDBUUET-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO CN1CC[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000343556848 277109128 /nfs/dbraw/zinc/10/91/28/277109128.db2.gz OUHHNAFDNJPVDL-UHFFFAOYSA-N 1 2 295.361 3.149 20 30 CGEDLO CN1CC[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc21 ZINC000343556848 277109130 /nfs/dbraw/zinc/10/91/30/277109130.db2.gz OUHHNAFDNJPVDL-UHFFFAOYSA-N 1 2 295.361 3.149 20 30 CGEDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000554849088 289313382 /nfs/dbraw/zinc/31/33/82/289313382.db2.gz VEMWVWWGCGOGSP-BBRMVZONSA-N 1 2 288.391 3.187 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000555635712 289354167 /nfs/dbraw/zinc/35/41/67/289354167.db2.gz UURYIEBIMFXHSC-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000555635712 289354168 /nfs/dbraw/zinc/35/41/68/289354168.db2.gz UURYIEBIMFXHSC-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000339068128 289980926 /nfs/dbraw/zinc/98/09/26/289980926.db2.gz ONTPTBCPHXHCQM-NSHDSACASA-N 1 2 297.314 3.023 20 30 CGEDLO COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000571516680 328130985 /nfs/dbraw/zinc/13/09/85/328130985.db2.gz ZFJUMZDIGPAPIX-DOMZBBRYSA-N 1 2 291.782 3.061 20 30 CGEDLO Cc1cc(N(C)C[C@H](C)C#N)c2cc(F)ccc2[nH+]1 ZINC000271629088 328197150 /nfs/dbraw/zinc/19/71/50/328197150.db2.gz NPEZMKIBFKJXCX-SNVBAGLBSA-N 1 2 257.312 3.278 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272645515 328200293 /nfs/dbraw/zinc/20/02/93/328200293.db2.gz YIXOOGIVFOFMFL-AWEZNQCLSA-N 1 2 299.418 3.202 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000156067391 321774597 /nfs/dbraw/zinc/77/45/97/321774597.db2.gz SRMGEVMUNDGGRP-UHFFFAOYSA-N 1 2 271.707 3.167 20 30 CGEDLO C=C(C)C[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000533845938 327222750 /nfs/dbraw/zinc/22/27/50/327222750.db2.gz HPVJDEDELGNABY-AWEZNQCLSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(C)C[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000533845938 327222751 /nfs/dbraw/zinc/22/27/51/327222751.db2.gz HPVJDEDELGNABY-AWEZNQCLSA-N 1 2 261.365 3.189 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000559459808 327246270 /nfs/dbraw/zinc/24/62/70/327246270.db2.gz ZSTANAZXHYRTIQ-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000559459808 327246271 /nfs/dbraw/zinc/24/62/71/327246271.db2.gz ZSTANAZXHYRTIQ-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO CCO[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)C12CCC2 ZINC000125186393 327390878 /nfs/dbraw/zinc/39/08/78/327390878.db2.gz OFDCLTCEOLEPFB-FLKQJBRMSA-N 1 2 259.349 3.159 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1OC ZINC000184092784 329256177 /nfs/dbraw/zinc/25/61/77/329256177.db2.gz IQTZWQFVWKAQIF-GFCCVEGCSA-N 1 2 297.196 3.240 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000419165045 329709913 /nfs/dbraw/zinc/70/99/13/329709913.db2.gz ASMYVAZWIFQMTL-CQSZACIVSA-N 1 2 261.365 3.093 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278531420 330117525 /nfs/dbraw/zinc/11/75/25/330117525.db2.gz FDWVVIGZXCEZAD-MRXNPFEDSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278531420 330117526 /nfs/dbraw/zinc/11/75/26/330117526.db2.gz FDWVVIGZXCEZAD-MRXNPFEDSA-N 1 2 285.778 3.252 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)CC(C)(C)C#N ZINC000433294205 330215921 /nfs/dbraw/zinc/21/59/21/330215921.db2.gz KHTURTIGFJWARD-UHFFFAOYSA-N 1 2 287.338 3.462 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)CC(C)(C)C#N ZINC000433294205 330215923 /nfs/dbraw/zinc/21/59/23/330215923.db2.gz KHTURTIGFJWARD-UHFFFAOYSA-N 1 2 287.338 3.462 20 30 CGEDLO C=C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000532960440 330322688 /nfs/dbraw/zinc/32/26/88/330322688.db2.gz NPIAMYITIOFRFZ-UHFFFAOYSA-N 1 2 285.416 3.461 20 30 CGEDLO CCn1cc(C[N@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000533079702 330330945 /nfs/dbraw/zinc/33/09/45/330330945.db2.gz FXXGZARKBVLZQU-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CCn1cc(C[N@@H+](C)CC#Cc2ccccc2Cl)cn1 ZINC000533079702 330330946 /nfs/dbraw/zinc/33/09/46/330330946.db2.gz FXXGZARKBVLZQU-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C#N)CC1 ZINC000057908217 330381117 /nfs/dbraw/zinc/38/11/17/330381117.db2.gz HBKVYYRHZRLRGQ-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000121219855 330397780 /nfs/dbraw/zinc/39/77/80/330397780.db2.gz CTIAZAXHWKXYFT-UHFFFAOYSA-N 1 2 280.371 3.410 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000121219855 330397781 /nfs/dbraw/zinc/39/77/81/330397781.db2.gz CTIAZAXHWKXYFT-UHFFFAOYSA-N 1 2 280.371 3.410 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc2ccccc2n1C(F)F ZINC000444658295 330817122 /nfs/dbraw/zinc/81/71/22/330817122.db2.gz AUOKCGFCNIWIRZ-JTQLQIEISA-N 1 2 290.317 3.386 20 30 CGEDLO CC1(C#N)CCC([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000449331550 330915299 /nfs/dbraw/zinc/91/52/99/330915299.db2.gz ZPHIZJZFWDXWAY-CXQJBGSLSA-N 1 2 260.303 3.389 20 30 CGEDLO C=CCCc1noc([C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000453240578 331105971 /nfs/dbraw/zinc/10/59/71/331105971.db2.gz URTPECOQTUUJJE-AWEZNQCLSA-N 1 2 291.782 3.493 20 30 CGEDLO C=C(CC)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454716790 331152187 /nfs/dbraw/zinc/15/21/87/331152187.db2.gz HCIKRRSIKBNPID-UHFFFAOYSA-N 1 2 284.363 3.175 20 30 CGEDLO C=CCC1(C(=O)N[C@H](C)c2[nH+]ccn2CC)CCCC1 ZINC000456347443 331190443 /nfs/dbraw/zinc/19/04/43/331190443.db2.gz JVJLTKMZIJFKCA-CYBMUJFWSA-N 1 2 275.396 3.217 20 30 CGEDLO C=CCCOCCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456836371 331207129 /nfs/dbraw/zinc/20/71/29/331207129.db2.gz JZISNWMEGQDRPC-UHFFFAOYSA-N 1 2 290.407 3.078 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(CC)c1C ZINC000489505269 332057259 /nfs/dbraw/zinc/05/72/59/332057259.db2.gz CGRQQEPMLSUTLV-OAHLLOKOSA-N 1 2 274.408 3.348 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(CC)c1C ZINC000489505269 332057261 /nfs/dbraw/zinc/05/72/61/332057261.db2.gz CGRQQEPMLSUTLV-OAHLLOKOSA-N 1 2 274.408 3.348 20 30 CGEDLO C#C[C@H](C)N(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000491395269 332204018 /nfs/dbraw/zinc/20/40/18/332204018.db2.gz ROMCEJBZJQOYTE-AWEZNQCLSA-N 1 2 294.354 3.276 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000491415973 332207737 /nfs/dbraw/zinc/20/77/37/332207737.db2.gz JESUFZRDGZDQLS-GFCCVEGCSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000491415973 332207738 /nfs/dbraw/zinc/20/77/38/332207738.db2.gz JESUFZRDGZDQLS-GFCCVEGCSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000491642737 332261735 /nfs/dbraw/zinc/26/17/35/332261735.db2.gz BTMIBDQYEPDEBV-CQSZACIVSA-N 1 2 272.392 3.010 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000491642737 332261736 /nfs/dbraw/zinc/26/17/36/332261736.db2.gz BTMIBDQYEPDEBV-CQSZACIVSA-N 1 2 272.392 3.010 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000491682936 332285654 /nfs/dbraw/zinc/28/56/54/332285654.db2.gz VSIPVVQUIHVYCS-ZDUSSCGKSA-N 1 2 290.319 3.260 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491805804 332359346 /nfs/dbraw/zinc/35/93/46/332359346.db2.gz PEZGBZYVQBYOBP-SNVBAGLBSA-N 1 2 260.362 3.165 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccsc2)oc1C ZINC000491805804 332359348 /nfs/dbraw/zinc/35/93/48/332359348.db2.gz PEZGBZYVQBYOBP-SNVBAGLBSA-N 1 2 260.362 3.165 20 30 CGEDLO C=CCCCC[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000311914637 333074400 /nfs/dbraw/zinc/07/44/00/333074400.db2.gz CQIKNUYMZUUSIE-HNNXBMFYSA-N 1 2 261.365 3.237 20 30 CGEDLO CC#CCCCC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000184954465 333133688 /nfs/dbraw/zinc/13/36/88/333133688.db2.gz HPNDUESGQSALHD-UHFFFAOYSA-N 1 2 286.419 3.213 20 30 CGEDLO CC#CCCCC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000184954465 333133690 /nfs/dbraw/zinc/13/36/90/333133690.db2.gz HPNDUESGQSALHD-UHFFFAOYSA-N 1 2 286.419 3.213 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191823125 333225852 /nfs/dbraw/zinc/22/58/52/333225852.db2.gz VYWAQUWCKZSHDA-UHFFFAOYSA-N 1 2 279.181 3.329 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191823125 333225853 /nfs/dbraw/zinc/22/58/53/333225853.db2.gz VYWAQUWCKZSHDA-UHFFFAOYSA-N 1 2 279.181 3.329 20 30 CGEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174566410 335159120 /nfs/dbraw/zinc/15/91/20/335159120.db2.gz CNQWNEOAEPLXEF-JTQLQIEISA-N 1 2 274.295 3.150 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)/C=C/c1[nH+]ccn1CC ZINC000136371717 334153196 /nfs/dbraw/zinc/15/31/96/334153196.db2.gz MQKBCEKYGLKDPD-ZHACJKMWSA-N 1 2 295.386 3.131 20 30 CGEDLO COc1ccc([C@H]([NH2+]CCC#N)c2ccccc2OC)cc1 ZINC000568621178 334833040 /nfs/dbraw/zinc/83/30/40/334833040.db2.gz UCUCZQYFYWJPNC-SFHVURJKSA-N 1 2 296.370 3.296 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000577290053 335336106 /nfs/dbraw/zinc/33/61/06/335336106.db2.gz AYQDNSWURFJBTH-SECBINFHSA-N 1 2 267.716 3.030 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1c1nc(CCc2[nH+]cccc2C)no1 ZINC000351313210 335604738 /nfs/dbraw/zinc/60/47/38/335604738.db2.gz RCIRDQVNLZVMIQ-HIFRSBDPSA-N 1 2 299.374 3.007 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nc(C2CC2)nn1C)Cc1ccccc1 ZINC000581188325 336021311 /nfs/dbraw/zinc/02/13/11/336021311.db2.gz WRMVTFVDLYQNCB-UHFFFAOYSA-N 1 2 296.418 3.271 20 30 CGEDLO C=C(C)C[N@H+](Cc1nc(C2CC2)nn1C)Cc1ccccc1 ZINC000581188325 336021312 /nfs/dbraw/zinc/02/13/12/336021312.db2.gz WRMVTFVDLYQNCB-UHFFFAOYSA-N 1 2 296.418 3.271 20 30 CGEDLO COc1cc(CNc2c[nH+]c3c(c2)CCCC3)ccc1C#N ZINC000440622042 533915659 /nfs/dbraw/zinc/91/56/59/533915659.db2.gz ILAJWFHSSXDUJR-UHFFFAOYSA-N 1 2 293.370 3.453 20 30 CGEDLO C=C(Br)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184391317 518584423 /nfs/dbraw/zinc/58/44/23/518584423.db2.gz ZUHQTCPWLFOMFL-SECBINFHSA-N 1 2 275.215 3.401 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000332190115 534528788 /nfs/dbraw/zinc/52/87/88/534528788.db2.gz PHDKGUMGAXUNDQ-LSDHHAIUSA-N 1 2 281.359 3.432 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1F ZINC000094679541 521397062 /nfs/dbraw/zinc/39/70/62/521397062.db2.gz ABLQGSUSEYGXPS-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1F ZINC000094679541 521397069 /nfs/dbraw/zinc/39/70/69/521397069.db2.gz ABLQGSUSEYGXPS-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CC2CCCC2)CCO1 ZINC000330332169 534813840 /nfs/dbraw/zinc/81/38/40/534813840.db2.gz ORDLEYXHTHCFGO-HIFRSBDPSA-N 1 2 291.395 3.177 20 30 CGEDLO C=C1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000353332325 526904988 /nfs/dbraw/zinc/90/49/88/526904988.db2.gz PWCJDWRBCAXVON-UHFFFAOYSA-N 1 2 283.318 3.449 20 30 CGEDLO CC(C)c1nnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425531450 528424422 /nfs/dbraw/zinc/42/44/22/528424422.db2.gz HLJSWCWUWADABR-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1nnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425531450 528424426 /nfs/dbraw/zinc/42/44/26/528424426.db2.gz HLJSWCWUWADABR-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C[C@H](C)C#N ZINC000352102871 528756498 /nfs/dbraw/zinc/75/64/98/528756498.db2.gz UFJYXYFIGVDCDG-GFCCVEGCSA-N 1 2 276.428 3.237 20 30 CGEDLO CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C[C@H](C)C#N ZINC000352102871 528756505 /nfs/dbraw/zinc/75/65/05/528756505.db2.gz UFJYXYFIGVDCDG-GFCCVEGCSA-N 1 2 276.428 3.237 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C/c1cccc(OC)c1O ZINC000727653336 571760824 /nfs/dbraw/zinc/76/08/24/571760824.db2.gz KMWYRKRVGQMURR-CPNJWEJPSA-N 1 2 299.370 3.461 20 30 CGEDLO C=C(Br)C[N@@H+]1CCCc2sccc2C1 ZINC000730663575 572367108 /nfs/dbraw/zinc/36/71/08/572367108.db2.gz OCUHGQKIHBMGEL-UHFFFAOYSA-N 1 2 272.211 3.405 20 30 CGEDLO C=C(Br)C[N@H+]1CCCc2sccc2C1 ZINC000730663575 572367111 /nfs/dbraw/zinc/36/71/11/572367111.db2.gz OCUHGQKIHBMGEL-UHFFFAOYSA-N 1 2 272.211 3.405 20 30 CGEDLO O=C1c2ccc(Cl)c(Cl)c2OC/C1=C\c1[nH]cc[nH+]1 ZINC000731159080 572398654 /nfs/dbraw/zinc/39/86/54/572398654.db2.gz LYGLGZABONHFNC-FNORWQNLSA-N 1 2 295.125 3.375 20 30 CGEDLO CC(N=Nc1ccc(F)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000731318063 572407128 /nfs/dbraw/zinc/40/71/28/572407128.db2.gz GCYYVXJRWHHBEC-UHFFFAOYSA-N 1 2 295.321 3.243 20 30 CGEDLO NC(=[NH+]OCc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000733191374 572541795 /nfs/dbraw/zinc/54/17/95/572541795.db2.gz JIIUWOQUNJJJSC-UHFFFAOYSA-N 1 2 296.157 3.226 20 30 CGEDLO N#CCOc1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000742353949 572564972 /nfs/dbraw/zinc/56/49/72/572564972.db2.gz WCLGEXMWXMWGRO-UHFFFAOYSA-N 1 2 299.280 3.265 20 30 CGEDLO C=CC[C@@H]([NH2+]Cc1n[nH]c2ccccc12)c1ccncc1 ZINC000734509695 572662102 /nfs/dbraw/zinc/66/21/02/572662102.db2.gz PCNSPDJDVDTFID-OAHLLOKOSA-N 1 2 278.359 3.365 20 30 CGEDLO CCOc1ccc(Cl)cc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000735979037 572759168 /nfs/dbraw/zinc/75/91/68/572759168.db2.gz UWDZNBNCXPUGJF-GQCTYLIASA-N 1 2 276.723 3.358 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000746457855 572873036 /nfs/dbraw/zinc/87/30/36/572873036.db2.gz RTYZAPAEKCMIJX-GOSISDBHSA-N 1 2 292.382 3.322 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000746457855 572873038 /nfs/dbraw/zinc/87/30/38/572873038.db2.gz RTYZAPAEKCMIJX-GOSISDBHSA-N 1 2 292.382 3.322 20 30 CGEDLO C=CCCCC(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000748226635 572968636 /nfs/dbraw/zinc/96/86/36/572968636.db2.gz OOBXAAIIKLTJDZ-UHFFFAOYSA-N 1 2 263.337 3.107 20 30 CGEDLO Cc1cccc(CC/[NH+]=C/c2cccc(O)c2O)c1 ZINC000749103868 572988991 /nfs/dbraw/zinc/98/89/91/572988991.db2.gz DRKRLKQAELGTFQ-GZTJUZNOSA-N 1 2 255.317 3.068 20 30 CGEDLO C=C(C)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750499286 573141245 /nfs/dbraw/zinc/14/12/45/573141245.db2.gz SCNANXVBBFNRPW-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750499286 573141248 /nfs/dbraw/zinc/14/12/48/573141248.db2.gz SCNANXVBBFNRPW-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC000950663115 613295458 /nfs/dbraw/zinc/29/54/58/613295458.db2.gz PNOKTJZZZQIIQZ-RDJZCZTQSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccoc2C(C)C)C1 ZINC000957443038 613297016 /nfs/dbraw/zinc/29/70/16/613297016.db2.gz RDAWPXBLKMBVFO-UHFFFAOYSA-N 1 2 290.407 3.125 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000957028990 613319963 /nfs/dbraw/zinc/31/99/63/613319963.db2.gz OZGUTZZZCSHISF-UHFFFAOYSA-N 1 2 290.407 3.045 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969555557 613371363 /nfs/dbraw/zinc/37/13/63/613371363.db2.gz SCSHICHWZAKQEC-CYBMUJFWSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974717411 613380923 /nfs/dbraw/zinc/38/09/23/613380923.db2.gz HXJYQUUNFKOCNE-JSGCOSHPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974717411 613380924 /nfs/dbraw/zinc/38/09/24/613380924.db2.gz HXJYQUUNFKOCNE-JSGCOSHPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975032708 613380999 /nfs/dbraw/zinc/38/09/99/613380999.db2.gz YUIRWRYRFNGDCL-MCIONIFRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975032708 613381000 /nfs/dbraw/zinc/38/10/00/613381000.db2.gz YUIRWRYRFNGDCL-MCIONIFRSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000957979839 613715728 /nfs/dbraw/zinc/71/57/28/613715728.db2.gz FVYMQIBQHLOJKE-UHFFFAOYSA-N 1 2 296.414 3.198 20 30 CGEDLO NC(=[NH+]OCc1cc(F)cc2cccnc21)c1ccccc1 ZINC000046027104 618033324 /nfs/dbraw/zinc/03/33/24/618033324.db2.gz KLPFEEVKKMCFER-UHFFFAOYSA-N 1 2 295.317 3.211 20 30 CGEDLO C=C(C)c1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000890891247 617889965 /nfs/dbraw/zinc/88/99/65/617889965.db2.gz QZYJKBBCCLZKTP-UHFFFAOYSA-N 1 2 269.348 3.335 20 30 CGEDLO NC(=[NH+]OCc1cccc(OC(F)F)c1)c1ccccc1 ZINC000050956917 618067694 /nfs/dbraw/zinc/06/76/94/618067694.db2.gz HKJHBOVTXQZUFT-UHFFFAOYSA-N 1 2 292.285 3.125 20 30 CGEDLO COC(=O)CCCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000121237089 618103556 /nfs/dbraw/zinc/10/35/56/618103556.db2.gz QLDOSLPMWOIZSG-LDADJPATSA-N 1 2 285.343 3.308 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccsc1 ZINC000255293652 618163799 /nfs/dbraw/zinc/16/37/99/618163799.db2.gz PDGDCKBSWGGYHO-PLNGDYQASA-N 1 2 254.314 3.292 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000308679133 618224437 /nfs/dbraw/zinc/22/44/37/618224437.db2.gz XCVAKACUWBJEIK-MRVPVSSYSA-N 1 2 275.577 3.247 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891716772 618254443 /nfs/dbraw/zinc/25/44/43/618254443.db2.gz VXPFSEMKKITAMC-SECBINFHSA-N 1 2 256.271 3.355 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891716772 618254448 /nfs/dbraw/zinc/25/44/48/618254448.db2.gz VXPFSEMKKITAMC-SECBINFHSA-N 1 2 256.271 3.355 20 30 CGEDLO Cc1cc(F)ncc1C[N@@H+](CCC#N)CCC(C)C ZINC000891937204 618395671 /nfs/dbraw/zinc/39/56/71/618395671.db2.gz BFXSFEMXYUATGB-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1cc(F)ncc1C[N@H+](CCC#N)CCC(C)C ZINC000891937204 618395681 /nfs/dbraw/zinc/39/56/81/618395681.db2.gz BFXSFEMXYUATGB-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(C#N)s3)n2c1 ZINC000255418647 618436702 /nfs/dbraw/zinc/43/67/02/618436702.db2.gz VJAPOBABVPWPDN-HYXAFXHYSA-N 1 2 293.351 3.472 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)cs1 ZINC000892117013 618540971 /nfs/dbraw/zinc/54/09/71/618540971.db2.gz FYCCUKYZBYHAOH-UHFFFAOYSA-N 1 2 276.405 3.155 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOC3(CCCCC3)C2)cs1 ZINC000892117013 618540976 /nfs/dbraw/zinc/54/09/76/618540976.db2.gz FYCCUKYZBYHAOH-UHFFFAOYSA-N 1 2 276.405 3.155 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934511048 618636766 /nfs/dbraw/zinc/63/67/66/618636766.db2.gz HXPRCOSUSRWNLW-AWEZNQCLSA-N 1 2 283.400 3.193 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934511048 618636768 /nfs/dbraw/zinc/63/67/68/618636768.db2.gz HXPRCOSUSRWNLW-AWEZNQCLSA-N 1 2 283.400 3.193 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1O ZINC000926617037 618781648 /nfs/dbraw/zinc/78/16/48/618781648.db2.gz MYQROQSUXUHULJ-QVHKTLOISA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ncco1 ZINC000926673095 618813716 /nfs/dbraw/zinc/81/37/16/618813716.db2.gz WOKOHBCHOFUFFJ-GFCCVEGCSA-N 1 2 267.332 3.276 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C)cc1Br ZINC000775184006 619006362 /nfs/dbraw/zinc/00/63/62/619006362.db2.gz RUDBEFSPNBVOTO-NSHDSACASA-N 1 2 266.182 3.211 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1Br ZINC000775184006 619006365 /nfs/dbraw/zinc/00/63/65/619006365.db2.gz RUDBEFSPNBVOTO-NSHDSACASA-N 1 2 266.182 3.211 20 30 CGEDLO COc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)on1 ZINC000925601802 619081220 /nfs/dbraw/zinc/08/12/20/619081220.db2.gz OWVUUFPAXKHLMJ-JSGCOSHPSA-N 1 2 285.347 3.379 20 30 CGEDLO C#CCC(C)(C)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185346616 625347449 /nfs/dbraw/zinc/34/74/49/625347449.db2.gz NKMFVZAHRPCBAG-UHFFFAOYSA-N 1 2 282.343 3.079 20 30 CGEDLO CC[C@H]1C[NH+](Cc2csc(C#N)c2)C[C@H](CC)O1 ZINC000894973557 619689926 /nfs/dbraw/zinc/68/99/26/619689926.db2.gz UMVUVCNLEZHNKV-STQMWFEESA-N 1 2 264.394 3.009 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000896500444 620017904 /nfs/dbraw/zinc/01/79/04/620017904.db2.gz FFNVWDKDXFGBCT-LLVKDONJSA-N 1 2 272.373 3.342 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000896500444 620017906 /nfs/dbraw/zinc/01/79/06/620017906.db2.gz FFNVWDKDXFGBCT-LLVKDONJSA-N 1 2 272.373 3.342 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(C#N)c1O ZINC000925260371 620277295 /nfs/dbraw/zinc/27/72/95/620277295.db2.gz YAOJOQDKTBUJAT-GXTWGEPZSA-N 1 2 276.405 3.200 20 30 CGEDLO CON=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863078862 620322476 /nfs/dbraw/zinc/32/24/76/620322476.db2.gz AAESODKHHOIKEQ-CYBMUJFWSA-N 1 2 297.196 3.218 20 30 CGEDLO CON=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863078862 620322479 /nfs/dbraw/zinc/32/24/79/620322479.db2.gz AAESODKHHOIKEQ-CYBMUJFWSA-N 1 2 297.196 3.218 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000925298612 620386945 /nfs/dbraw/zinc/38/69/45/620386945.db2.gz SOAZMSNSGPEEPG-IOASZLSFSA-N 1 2 288.391 3.120 20 30 CGEDLO Cn1nc(C[N@H+](C)Cc2cc(C#N)cs2)c2ccccc21 ZINC000897625978 620413039 /nfs/dbraw/zinc/41/30/39/620413039.db2.gz RKHSLKPJAZDUKC-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cn1nc(C[N@@H+](C)Cc2cc(C#N)cs2)c2ccccc21 ZINC000897625978 620413042 /nfs/dbraw/zinc/41/30/42/620413042.db2.gz RKHSLKPJAZDUKC-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO CC(=[NH+]Nc1ccc(C(C)(C)C)cc1)c1c[nH]c(N)n1 ZINC000901215724 620843011 /nfs/dbraw/zinc/84/30/11/620843011.db2.gz MIAOXDZTDHPSMX-UHFFFAOYSA-N 1 2 271.368 3.126 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1 ZINC000901416815 620881335 /nfs/dbraw/zinc/88/13/35/620881335.db2.gz JJVIEEBZBLGCMJ-TWGQIWQCSA-N 1 2 270.332 3.369 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2ccccc2C1=O ZINC000901418211 620881691 /nfs/dbraw/zinc/88/16/91/620881691.db2.gz ZKFDADLCOHMDEJ-JYRVWZFOSA-N 1 2 252.317 3.286 20 30 CGEDLO CCN(C)c1ccc(C(=O)/C=C/c2c[nH+]cn2CC)cc1 ZINC000901479948 620892522 /nfs/dbraw/zinc/89/25/22/620892522.db2.gz ANMZKUCJFUDMRB-ZHACJKMWSA-N 1 2 283.375 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1c(C)nn(C(C)C)c1C ZINC000901468922 620896529 /nfs/dbraw/zinc/89/65/29/620896529.db2.gz PQKZJHKXVCMWGO-FPLPWBNLSA-N 1 2 286.379 3.193 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2ccc(F)cc2C1=O ZINC000901490059 620898745 /nfs/dbraw/zinc/89/87/45/620898745.db2.gz MTOMGHVFXSDRSR-GHXNOFRVSA-N 1 2 270.307 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccccc2[C@@H]1C ZINC000901505372 620904402 /nfs/dbraw/zinc/90/44/02/620904402.db2.gz APFDEPIXGFXLPO-UXYFDLPDSA-N 1 2 252.317 3.286 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2ccc(O)cc2C1=O ZINC000901507107 620905471 /nfs/dbraw/zinc/90/54/71/620905471.db2.gz IBJUXMWMSHLFSA-NTUHNPAUSA-N 1 2 282.343 3.382 20 30 CGEDLO COc1cccc2c1OCC/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901541948 620920328 /nfs/dbraw/zinc/92/03/28/620920328.db2.gz BFNXYHBFTYCZPW-FMIVXFBMSA-N 1 2 298.342 3.084 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc2n(c1=S)CCCCC2 ZINC000902669914 621395840 /nfs/dbraw/zinc/39/58/40/621395840.db2.gz UNIGCKSMFALWJL-UHFFFAOYSA-N 1 2 294.468 3.386 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc2n(c1=S)CCCCC2 ZINC000902669914 621395843 /nfs/dbraw/zinc/39/58/43/621395843.db2.gz UNIGCKSMFALWJL-UHFFFAOYSA-N 1 2 294.468 3.386 20 30 CGEDLO C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1cc(C#N)ccn1 ZINC000902915576 621490765 /nfs/dbraw/zinc/49/07/65/621490765.db2.gz SKDCEFSFBACPHY-LBPRGKRZSA-N 1 2 281.334 3.432 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)cn1 ZINC000903109323 621582989 /nfs/dbraw/zinc/58/29/89/621582989.db2.gz NLKYJTCQXFAFRC-VIFPVBQESA-N 1 2 269.270 3.055 20 30 CGEDLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1CC#N ZINC000904850704 622008350 /nfs/dbraw/zinc/00/83/50/622008350.db2.gz XJQPPWWGBPGMOI-UHFFFAOYSA-N 1 2 251.333 3.189 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)OC ZINC000905764966 622108446 /nfs/dbraw/zinc/10/84/46/622108446.db2.gz WISIBKCEAMHPKF-BMFZPTHFSA-N 1 2 291.366 3.169 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174963871 622490013 /nfs/dbraw/zinc/49/00/13/622490013.db2.gz RJPUZXJCROWAKC-VXGBXAGGSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174963871 622490016 /nfs/dbraw/zinc/49/00/16/622490016.db2.gz RJPUZXJCROWAKC-VXGBXAGGSA-N 1 2 292.452 3.165 20 30 CGEDLO C#CC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000181179134 624822604 /nfs/dbraw/zinc/82/26/04/624822604.db2.gz MIIITDWMWXKCLQ-INIZCTEOSA-N 1 2 282.343 3.077 20 30 CGEDLO C=CCCOCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921665894 625813630 /nfs/dbraw/zinc/81/36/30/625813630.db2.gz URPNNNSKARVFGO-UHFFFAOYSA-N 1 2 299.374 3.225 20 30 CGEDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000921692434 625845206 /nfs/dbraw/zinc/84/52/06/625845206.db2.gz FLZLLFIWIUOUBQ-UHFFFAOYSA-N 1 2 299.374 3.164 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922955573 626107283 /nfs/dbraw/zinc/10/72/83/626107283.db2.gz SPPQNNUKFRCPMK-UHFFFAOYSA-N 1 2 297.402 3.152 20 30 CGEDLO C#CCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000839360526 626342792 /nfs/dbraw/zinc/34/27/92/626342792.db2.gz LQTNSIHMHGDODQ-UHFFFAOYSA-N 1 2 281.359 3.247 20 30 CGEDLO CCCCCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000751458065 626390849 /nfs/dbraw/zinc/39/08/49/626390849.db2.gz JIULLOYXVYMQFG-UHFFFAOYSA-N 1 2 264.369 3.110 20 30 CGEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000752718834 626436018 /nfs/dbraw/zinc/43/60/18/626436018.db2.gz PZICPYYBQRJVLQ-UHFFFAOYSA-N 1 2 284.319 3.240 20 30 CGEDLO Brc1cnn([NH+]=C/C=C\c2ccccc2)c1 ZINC000752746160 626437061 /nfs/dbraw/zinc/43/70/61/626437061.db2.gz GSVAWORHJYXJCV-XXHVMYQTSA-N 1 2 276.137 3.193 20 30 CGEDLO CC(=[NH+]NC[C@@H](C)C#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000754711662 626583080 /nfs/dbraw/zinc/58/30/80/626583080.db2.gz SWXJTOMDFMYFCS-ZETCQYMHSA-N 1 2 285.178 3.049 20 30 CGEDLO CCc1nc(C=NNc2cc[nH+]c3ccccc23)cs1 ZINC000755700760 626637617 /nfs/dbraw/zinc/63/76/17/626637617.db2.gz NNXQBLSFICIHIH-UHFFFAOYSA-N 1 2 282.372 3.122 20 30 CGEDLO CC(C)c1[nH+]c(C=NOCC(F)(F)F)c2ccccn21 ZINC000755795961 626647247 /nfs/dbraw/zinc/64/72/47/626647247.db2.gz HGFFTTRRGWOCFB-UHFFFAOYSA-N 1 2 285.269 3.371 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)cc(Cl)c1 ZINC000790300984 627004991 /nfs/dbraw/zinc/00/49/91/627004991.db2.gz AJGSDIGITKJGEN-UHFFFAOYSA-N 1 2 269.135 3.173 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000764805384 627225409 /nfs/dbraw/zinc/22/54/09/627225409.db2.gz VLNFMGWAWRBYCJ-OAHLLOKOSA-N 1 2 271.408 3.268 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000764805384 627225410 /nfs/dbraw/zinc/22/54/10/627225410.db2.gz VLNFMGWAWRBYCJ-OAHLLOKOSA-N 1 2 271.408 3.268 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnc2ccc(Cl)cn12 ZINC000768153808 627463615 /nfs/dbraw/zinc/46/36/15/627463615.db2.gz KSOOYORUFJYROF-UHFFFAOYSA-N 1 2 290.798 3.359 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnc2ccc(Cl)cn12 ZINC000768153808 627463617 /nfs/dbraw/zinc/46/36/17/627463617.db2.gz KSOOYORUFJYROF-UHFFFAOYSA-N 1 2 290.798 3.359 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(Cl)c(OC)cc1Cl ZINC000769111386 627523067 /nfs/dbraw/zinc/52/30/67/627523067.db2.gz NUDUKUYRWBUXTH-UHFFFAOYSA-N 1 2 272.175 3.457 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(Cl)c(OC)cc1Cl ZINC000769111386 627523070 /nfs/dbraw/zinc/52/30/70/627523070.db2.gz NUDUKUYRWBUXTH-UHFFFAOYSA-N 1 2 272.175 3.457 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000769977601 627594313 /nfs/dbraw/zinc/59/43/13/627594313.db2.gz MMFAVXHQUQOJKA-HNNXBMFYSA-N 1 2 294.398 3.146 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000769977601 627594315 /nfs/dbraw/zinc/59/43/15/627594315.db2.gz MMFAVXHQUQOJKA-HNNXBMFYSA-N 1 2 294.398 3.146 20 30 CGEDLO C[C@@H](OC(=O)c1cccc2[nH+]ccn21)c1ccc(C#N)cc1 ZINC000770082908 627602795 /nfs/dbraw/zinc/60/27/95/627602795.db2.gz IDFCJMQUDZEAAH-GFCCVEGCSA-N 1 2 291.310 3.124 20 30 CGEDLO C=CCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000770358450 627615027 /nfs/dbraw/zinc/61/50/27/627615027.db2.gz KEMKBWPRUYHOSZ-UHFFFAOYSA-N 1 2 298.390 3.028 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000770568800 627626526 /nfs/dbraw/zinc/62/65/26/627626526.db2.gz OAYHGWDHENXNAV-AACANCPSSA-N 1 2 277.364 3.025 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000770568802 627626889 /nfs/dbraw/zinc/62/68/89/627626889.db2.gz OAYHGWDHENXNAV-JHBBZFSESA-N 1 2 277.364 3.025 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccncc1 ZINC000776188150 628177889 /nfs/dbraw/zinc/17/78/89/628177889.db2.gz JEKAALFFSBPHLR-IHWYPQMZSA-N 1 2 283.718 3.279 20 30 CGEDLO C[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1F ZINC000777965527 628316879 /nfs/dbraw/zinc/31/68/79/628316879.db2.gz ACMVDZSFBJNYSE-CJNGLKHVSA-N 1 2 298.365 3.059 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1F ZINC000777965527 628316881 /nfs/dbraw/zinc/31/68/81/628316881.db2.gz ACMVDZSFBJNYSE-CJNGLKHVSA-N 1 2 298.365 3.059 20 30 CGEDLO CC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)[NH+](CC)CC ZINC000778611231 628361142 /nfs/dbraw/zinc/36/11/42/628361142.db2.gz COAOYDMKHLSEAG-OCCSQVGLSA-N 1 2 299.374 3.124 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(C#N)cc3)c[nH+]c12 ZINC000125214057 634655336 /nfs/dbraw/zinc/65/53/36/634655336.db2.gz RJKRBICHGIWYKK-CMDGGOBGSA-N 1 2 287.322 3.411 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000783223469 628689742 /nfs/dbraw/zinc/68/97/42/628689742.db2.gz NJWZITFQTPAATJ-KRWDZBQOSA-N 1 2 288.354 3.161 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccco1 ZINC000783709084 628742042 /nfs/dbraw/zinc/74/20/42/628742042.db2.gz JTNTXIVQQGZGTP-ARJAWSKDSA-N 1 2 270.313 3.423 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(F)cc1Br ZINC000787999359 629039092 /nfs/dbraw/zinc/03/90/92/629039092.db2.gz MTEGYJVFXFOXTM-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000787999359 629039094 /nfs/dbraw/zinc/03/90/94/629039094.db2.gz MTEGYJVFXFOXTM-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790185127 629190434 /nfs/dbraw/zinc/19/04/34/629190434.db2.gz CBEBNJIQXWEQEK-UHFFFAOYSA-N 1 2 283.379 3.076 20 30 CGEDLO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000793255219 629436110 /nfs/dbraw/zinc/43/61/10/629436110.db2.gz OLPCNZOHLNQLNW-UHFFFAOYSA-N 1 2 281.350 3.170 20 30 CGEDLO CCC(=[NH+]NCC(F)(F)C(F)(F)F)c1ccc(N)cc1 ZINC000863182713 629490375 /nfs/dbraw/zinc/49/03/75/629490375.db2.gz WMNRDAKWINYLKZ-UHFFFAOYSA-N 1 2 295.255 3.170 20 30 CGEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000794714139 629570221 /nfs/dbraw/zinc/57/02/21/629570221.db2.gz BMAGGMFNVYBHCI-LLVKDONJSA-N 1 2 283.306 3.095 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)sc1Br ZINC000794733790 629573991 /nfs/dbraw/zinc/57/39/91/629573991.db2.gz SEOZTIORPIZUMJ-NSCUHMNNSA-N 1 2 297.177 3.438 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000796310632 629763224 /nfs/dbraw/zinc/76/32/24/629763224.db2.gz RCKIYRWXDRFXQR-UHFFFAOYSA-N 1 2 297.189 3.071 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCC12CCOCC2 ZINC000864349397 629817244 /nfs/dbraw/zinc/81/72/44/629817244.db2.gz WYBGFKPJQHQZRK-MPMPPSQCSA-N 1 2 259.349 3.018 20 30 CGEDLO C=C[C@H](CC)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796811397 629838094 /nfs/dbraw/zinc/83/80/94/629838094.db2.gz HYKNSUPKMSROAZ-SNVBAGLBSA-N 1 2 294.301 3.131 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccccc3C#N)n21 ZINC000799499839 630192206 /nfs/dbraw/zinc/19/22/06/630192206.db2.gz ZRQIKSLYSFGDBT-KTKRTIGZSA-N 1 2 287.322 3.411 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CC[C@H](C#N)C3)cc2)CCO1 ZINC000799724702 630225513 /nfs/dbraw/zinc/22/55/13/630225513.db2.gz QMCFJLCQYKWRJV-YCPHGPKFSA-N 1 2 285.391 3.016 20 30 CGEDLO Cc1[nH+]cc(CNc2cc(C#N)ccn2)n1-c1ccccc1 ZINC000804524106 630534721 /nfs/dbraw/zinc/53/47/21/630534721.db2.gz KDJHPTQYPZZGGT-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000809584052 630755030 /nfs/dbraw/zinc/75/50/30/630755030.db2.gz UMKDIPVZAYPCAD-LJQANCHMSA-N 1 2 277.367 3.241 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000809584052 630755035 /nfs/dbraw/zinc/75/50/35/630755035.db2.gz UMKDIPVZAYPCAD-LJQANCHMSA-N 1 2 277.367 3.241 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(C)c1OC ZINC000809638337 630770820 /nfs/dbraw/zinc/77/08/20/630770820.db2.gz GTIBCIOWAMTFHN-QGZVFWFLSA-N 1 2 288.391 3.138 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)c(C)c1OC ZINC000809638337 630770824 /nfs/dbraw/zinc/77/08/24/630770824.db2.gz GTIBCIOWAMTFHN-QGZVFWFLSA-N 1 2 288.391 3.138 20 30 CGEDLO C=CCCCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000811012595 631003773 /nfs/dbraw/zinc/00/37/73/631003773.db2.gz PZFMAVAUPPMDGS-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccnc(Br)c1 ZINC000815104979 631718137 /nfs/dbraw/zinc/71/81/37/631718137.db2.gz ZPEFZAPDOVXSCN-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccnc(Br)c1 ZINC000815104979 631718143 /nfs/dbraw/zinc/71/81/43/631718143.db2.gz ZPEFZAPDOVXSCN-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000819185708 632397063 /nfs/dbraw/zinc/39/70/63/632397063.db2.gz QYOFBYDNAGGVJD-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO N#CCC[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000819263058 632413860 /nfs/dbraw/zinc/41/38/60/632413860.db2.gz QXLCMXYJNGZICU-JTQLQIEISA-N 1 2 271.147 3.320 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCc1c(C)noc1C ZINC000820658955 632662408 /nfs/dbraw/zinc/66/24/08/632662408.db2.gz SYKMGRIURBJBKJ-UHFFFAOYSA-N 1 2 299.374 3.133 20 30 CGEDLO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc(C#N)c1O ZINC000866242802 633041723 /nfs/dbraw/zinc/04/17/23/633041723.db2.gz MKONLRBSVIDEQO-SNVBAGLBSA-N 1 2 256.349 3.103 20 30 CGEDLO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccc1C ZINC000866245991 633043867 /nfs/dbraw/zinc/04/38/67/633043867.db2.gz DXEQZLBWGYKWLF-CYBMUJFWSA-N 1 2 296.370 3.432 20 30 CGEDLO CSCCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866340721 633087612 /nfs/dbraw/zinc/08/76/12/633087612.db2.gz INXXSLVHSFLLLU-GFCCVEGCSA-N 1 2 278.421 3.448 20 30 CGEDLO CO[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CCCC1 ZINC000866391786 633118777 /nfs/dbraw/zinc/11/87/77/633118777.db2.gz PTFYBOJMYOOIIV-BLLLJJGKSA-N 1 2 288.391 3.120 20 30 CGEDLO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866394962 633121411 /nfs/dbraw/zinc/12/14/11/633121411.db2.gz YTGYLBZIKPQJPA-ABAIWWIYSA-N 1 2 258.365 3.349 20 30 CGEDLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823617189 633127582 /nfs/dbraw/zinc/12/75/82/633127582.db2.gz GRVUGWPQRXFPEI-KGLIPLIRSA-N 1 2 288.391 3.283 20 30 CGEDLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823617189 633127586 /nfs/dbraw/zinc/12/75/86/633127586.db2.gz GRVUGWPQRXFPEI-KGLIPLIRSA-N 1 2 288.391 3.283 20 30 CGEDLO CCc1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)co1 ZINC000825049873 633321478 /nfs/dbraw/zinc/32/14/78/633321478.db2.gz DQSKERCIGUWGFP-UHFFFAOYSA-N 1 2 299.374 3.209 20 30 CGEDLO C#Cc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000828443268 633614928 /nfs/dbraw/zinc/61/49/28/633614928.db2.gz UDOCMYBWZVSSSP-UHFFFAOYSA-N 1 2 263.344 3.256 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1nc2c(s1)CCCC2 ZINC000828978826 633674965 /nfs/dbraw/zinc/67/49/65/633674965.db2.gz HIYCJKUOPBKEKE-NSHDSACASA-N 1 2 275.421 3.366 20 30 CGEDLO COc1cc(C)[nH+]c(CSCc2ccc(C#N)o2)c1 ZINC000871701260 633833572 /nfs/dbraw/zinc/83/35/72/633833572.db2.gz XRBZWMORXNLTEV-UHFFFAOYSA-N 1 2 274.345 3.297 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000872139060 634062425 /nfs/dbraw/zinc/06/24/25/634062425.db2.gz DSTYPCTYTFCOII-YDHLFZDLSA-N 1 2 268.360 3.106 20 30 CGEDLO FC(F)(F)c1csc(N[NH2+]C=C2CC2(F)F)n1 ZINC000834965334 634296261 /nfs/dbraw/zinc/29/62/61/634296261.db2.gz ZGYVQLCXSYBVOQ-BYPYZUCNSA-N 1 2 271.214 3.215 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC(C)(C)C2)c1 ZINC000840710138 635038685 /nfs/dbraw/zinc/03/86/85/635038685.db2.gz PABQVAMWPRZZPE-RNEAKCBISA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C(=O)OC ZINC000877689710 635137862 /nfs/dbraw/zinc/13/78/62/635137862.db2.gz JGEBRTYZOWNBCR-NWDGAFQWSA-N 1 2 273.442 3.004 20 30 CGEDLO Cc1cc(C(N)=[NH+]OC[C@H]2CCC(F)(F)C2)ccc1F ZINC000842022888 635257712 /nfs/dbraw/zinc/25/77/12/635257712.db2.gz PNMRDFJQYIAUPZ-JTQLQIEISA-N 1 2 286.297 3.206 20 30 CGEDLO CC1(C)CCc2onc(C[NH+]3CCC(C)(C#N)CC3)c2C1 ZINC000878389753 635484758 /nfs/dbraw/zinc/48/47/58/635484758.db2.gz SBAHDYZIFILQAR-UHFFFAOYSA-N 1 2 287.407 3.315 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878699109 635607877 /nfs/dbraw/zinc/60/78/77/635607877.db2.gz MXIPAPCMFKKSSU-NWDGAFQWSA-N 1 2 293.798 3.257 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2(COC)CC2)c1O ZINC000843264748 635628806 /nfs/dbraw/zinc/62/88/06/635628806.db2.gz CRRNNPOAJKHCMI-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000843427039 635671542 /nfs/dbraw/zinc/67/15/42/635671542.db2.gz RURKKZYTFQLCRT-UHFFFAOYSA-N 1 2 267.731 3.030 20 30 CGEDLO C=C(C)CON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000844619214 635943664 /nfs/dbraw/zinc/94/36/64/635943664.db2.gz VDTQDNCTLISHOT-UHFFFAOYSA-N 1 2 287.407 3.302 20 30 CGEDLO C=C[C@H](C)O[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000844625979 635946335 /nfs/dbraw/zinc/94/63/35/635946335.db2.gz WHQRHGLUSHVGHO-LBPRGKRZSA-N 1 2 262.328 3.351 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000847024877 636315472 /nfs/dbraw/zinc/31/54/72/636315472.db2.gz MBINNAQEAVDUIA-CHWSQXEVSA-N 1 2 278.421 3.086 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000847024877 636315474 /nfs/dbraw/zinc/31/54/74/636315474.db2.gz MBINNAQEAVDUIA-CHWSQXEVSA-N 1 2 278.421 3.086 20 30 CGEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022946 636315611 /nfs/dbraw/zinc/31/56/11/636315611.db2.gz KDQFHPSWVQVHMZ-STQMWFEESA-N 1 2 290.794 3.012 20 30 CGEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022946 636315616 /nfs/dbraw/zinc/31/56/16/636315616.db2.gz KDQFHPSWVQVHMZ-STQMWFEESA-N 1 2 290.794 3.012 20 30 CGEDLO CC(C)Cc1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848418618 636572291 /nfs/dbraw/zinc/57/22/91/636572291.db2.gz ONFOVPMQPVJVSL-UHFFFAOYSA-N 1 2 284.407 3.095 20 30 CGEDLO CC[C@H]1CC[C@H](C)CC1=NNCCCn1cc[nH+]c1 ZINC000848417438 636572643 /nfs/dbraw/zinc/57/26/43/636572643.db2.gz ZPGZLQRKDKBYHP-KBPBESRZSA-N 1 2 262.401 3.065 20 30 CGEDLO C=CCC[C@H](Nc1cc(COC)cc[nH+]1)[C@H]1CCCO1 ZINC000883233717 636603429 /nfs/dbraw/zinc/60/34/29/636603429.db2.gz OEEHGKFQNKBIJN-LSDHHAIUSA-N 1 2 276.380 3.154 20 30 CGEDLO COc1ccc(C2CC2)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000883257451 636626830 /nfs/dbraw/zinc/62/68/30/636626830.db2.gz BPTQHSRDXXFGGP-UHFFFAOYSA-N 1 2 299.399 3.191 20 30 CGEDLO C#C[C@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000848748337 636648212 /nfs/dbraw/zinc/64/82/12/636648212.db2.gz FEPMLFYOCQVKRX-LBPRGKRZSA-N 1 2 254.308 3.224 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C\c1cccc(O)c1O ZINC000849170526 636761481 /nfs/dbraw/zinc/76/14/81/636761481.db2.gz QIAGDQVVFFDGLF-YVLHZVERSA-N 1 2 279.380 3.094 20 30 CGEDLO N#Cc1cccc(C(=O)/C=C/c2c[nH+]c3ccccn23)c1 ZINC000133179609 636880693 /nfs/dbraw/zinc/88/06/93/636880693.db2.gz UDQZUXNCXOZOSJ-BQYQJAHWSA-N 1 2 273.295 3.102 20 30 CGEDLO C#CC[N@H+](Cc1cc(C2CC2)no1)Cc1ccccc1 ZINC000852044062 637577998 /nfs/dbraw/zinc/57/79/98/637577998.db2.gz DHROROMPXHSWIA-UHFFFAOYSA-N 1 2 266.344 3.187 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C2CC2)no1)Cc1ccccc1 ZINC000852044062 637578002 /nfs/dbraw/zinc/57/80/02/637578002.db2.gz DHROROMPXHSWIA-UHFFFAOYSA-N 1 2 266.344 3.187 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccco1 ZINC000853090972 637755298 /nfs/dbraw/zinc/75/52/98/637755298.db2.gz WODDVRLKPSCZGK-UHFFFAOYSA-N 1 2 270.332 3.121 20 30 CGEDLO Cc1cc(C)c(C(=O)N(C)Cc2cc(C#N)cs2)c(C)[nH+]1 ZINC000887963492 637934996 /nfs/dbraw/zinc/93/49/96/637934996.db2.gz WINZDQMKPCHFBY-UHFFFAOYSA-N 1 2 299.399 3.212 20 30 CGEDLO CC[C@H]([NH2+]Cc1nc(C)cs1)c1cccc(C#N)c1O ZINC000924617216 638376688 /nfs/dbraw/zinc/37/66/88/638376688.db2.gz YELVYHFERZYNPB-ZDUSSCGKSA-N 1 2 287.388 3.270 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000925437082 638503267 /nfs/dbraw/zinc/50/32/67/638503267.db2.gz JLVLVWOATNXFIO-DZGCQCFKSA-N 1 2 256.349 3.413 20 30 CGEDLO C#CC[C@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925637451 638552509 /nfs/dbraw/zinc/55/25/09/638552509.db2.gz LLZXWMVGJSTBMI-CJNGLKHVSA-N 1 2 282.391 3.022 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@H](C)F)c1cccc(C#N)c1O ZINC000926484789 638776048 /nfs/dbraw/zinc/77/60/48/638776048.db2.gz DWTPUIFNDCRMLR-GXFFZTMASA-N 1 2 250.317 3.053 20 30 CGEDLO CCC[C@H](C[NH2+][C@H](CC)c1cccc(C#N)c1O)OC ZINC000926503831 638779051 /nfs/dbraw/zinc/77/90/51/638779051.db2.gz YRIYKTDDENNVIW-UKRRQHHQSA-N 1 2 276.380 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CCc1cnccc1C)c1cccc(C#N)c1O ZINC000926690022 638799181 /nfs/dbraw/zinc/79/91/81/638799181.db2.gz PPRBIGJSYZPROP-QGZVFWFLSA-N 1 2 295.386 3.251 20 30 CGEDLO C=C1CCC(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000926925080 638826456 /nfs/dbraw/zinc/82/64/56/638826456.db2.gz HKJIZKRQNSYUHU-AWEZNQCLSA-N 1 2 288.420 3.292 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927075159 638838503 /nfs/dbraw/zinc/83/85/03/638838503.db2.gz ONLHEAWMFVWOJX-UHFFFAOYSA-N 1 2 287.407 3.087 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cnc(N(C)C)c2ccccc12 ZINC000929776077 638949703 /nfs/dbraw/zinc/94/97/03/638949703.db2.gz ZDVHEEKNCBBKTI-UHFFFAOYSA-N 1 2 282.391 3.036 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cnc(N(C)C)c2ccccc12 ZINC000929776077 638949704 /nfs/dbraw/zinc/94/97/04/638949704.db2.gz ZDVHEEKNCBBKTI-UHFFFAOYSA-N 1 2 282.391 3.036 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCOCC23CCCC3)c1 ZINC000930133185 638977098 /nfs/dbraw/zinc/97/70/98/638977098.db2.gz GBWDROHMRDBWBY-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000930133185 638977100 /nfs/dbraw/zinc/97/71/00/638977100.db2.gz GBWDROHMRDBWBY-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000930533098 639020271 /nfs/dbraw/zinc/02/02/71/639020271.db2.gz FTPLMMAAGKGAPL-KGLIPLIRSA-N 1 2 277.412 3.016 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)o1)CC(C)(C)C#N ZINC000930568860 639028636 /nfs/dbraw/zinc/02/86/36/639028636.db2.gz QTFCAMZGZYHWLA-UHFFFAOYSA-N 1 2 269.348 3.323 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)o1)CC(C)(C)C#N ZINC000930568860 639028637 /nfs/dbraw/zinc/02/86/37/639028637.db2.gz QTFCAMZGZYHWLA-UHFFFAOYSA-N 1 2 269.348 3.323 20 30 CGEDLO C=C[C@@H](CC)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000931466566 639155915 /nfs/dbraw/zinc/15/59/15/639155915.db2.gz DYJVTRVXRBJUBO-LBPRGKRZSA-N 1 2 257.337 3.184 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625457 639470525 /nfs/dbraw/zinc/47/05/25/639470525.db2.gz SZHQZGUHHXRSNR-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625457 639470532 /nfs/dbraw/zinc/47/05/32/639470532.db2.gz SZHQZGUHHXRSNR-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000934519838 639623902 /nfs/dbraw/zinc/62/39/02/639623902.db2.gz VOTVWYUXEFAINL-HNNXBMFYSA-N 1 2 296.370 3.338 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000934519838 639623913 /nfs/dbraw/zinc/62/39/13/639623913.db2.gz VOTVWYUXEFAINL-HNNXBMFYSA-N 1 2 296.370 3.338 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008189821 640946730 /nfs/dbraw/zinc/94/67/30/640946730.db2.gz GNYYUFBKJZOMHD-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008189821 640946735 /nfs/dbraw/zinc/94/67/35/640946735.db2.gz GNYYUFBKJZOMHD-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO COc1cc2cc[nH+]c(NC3=CC(=O)CCC3)c2cc1OC ZINC001155708194 805605848 /nfs/dbraw/zinc/60/58/48/805605848.db2.gz ATIKEMJHOOTZKI-UHFFFAOYSA-N 1 2 298.342 3.301 20 30 CGEDLO N#CCc1cc[nH+]c(NCCSCc2ccco2)c1 ZINC001156191820 805664024 /nfs/dbraw/zinc/66/40/24/805664024.db2.gz QCIMOMDCFLNDMO-UHFFFAOYSA-N 1 2 273.361 3.086 20 30 CGEDLO COc1ccc2[nH+]c(CCc3cccc(C#N)c3)n(C)c2c1 ZINC001250581703 805705914 /nfs/dbraw/zinc/70/59/14/805705914.db2.gz MJDPJBWEBNJAFP-UHFFFAOYSA-N 1 2 291.354 3.239 20 30 CGEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001250580235 805705950 /nfs/dbraw/zinc/70/59/50/805705950.db2.gz OQTYHTKBUXNJJJ-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO C#CCOc1ccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)cc1 ZINC001250704889 805759858 /nfs/dbraw/zinc/75/98/58/805759858.db2.gz JQVSUVKAQMTVKE-UHFFFAOYSA-N 1 2 291.354 3.308 20 30 CGEDLO C=C[C@](C)(O)C[NH2+][C@@](CC)(CCCCCC)C(=O)OCC ZINC001252584816 806075583 /nfs/dbraw/zinc/07/55/83/806075583.db2.gz GGEHNWZTMIDRFK-IRXDYDNUSA-N 1 2 299.455 3.195 20 30 CGEDLO C=CCC[C@@H](O)C[NH2+][C@H](CCC(C)C)C(=O)OC(C)(C)C ZINC001252617762 806090902 /nfs/dbraw/zinc/09/09/02/806090902.db2.gz KCLQZXGFZOCYHH-HUUCEWRRSA-N 1 2 299.455 3.050 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC001253238484 806190329 /nfs/dbraw/zinc/19/03/29/806190329.db2.gz FFFPWRNQNJNVQW-QGZVFWFLSA-N 1 2 274.408 3.285 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2ccncc2C1 ZINC001253238484 806190333 /nfs/dbraw/zinc/19/03/33/806190333.db2.gz FFFPWRNQNJNVQW-QGZVFWFLSA-N 1 2 274.408 3.285 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@H](CCCC)C(=O)OC ZINC001253251700 806196718 /nfs/dbraw/zinc/19/67/18/806196718.db2.gz NEYXYGUDRQZGSZ-HZPDHXFCSA-N 1 2 299.455 3.195 20 30 CGEDLO CC(C)c1nc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC001254670298 806480921 /nfs/dbraw/zinc/48/09/21/806480921.db2.gz ILJXYKPMAYPYON-WCQYABFASA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cs1 ZINC001254670298 806480926 /nfs/dbraw/zinc/48/09/26/806480926.db2.gz ILJXYKPMAYPYON-WCQYABFASA-N 1 2 263.410 3.391 20 30 CGEDLO O=C1c2cccc(Cl)c2CC/C1=C\c1[nH]cc[nH+]1 ZINC001254745969 806488611 /nfs/dbraw/zinc/48/86/11/806488611.db2.gz IAUSLEQXKSQQIT-CMDGGOBGSA-N 1 2 258.708 3.276 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1COc2cc(Br)ccc21 ZINC001255159722 806557833 /nfs/dbraw/zinc/55/78/33/806557833.db2.gz ANDJWUOOCJEHNH-PWSUYJOCSA-N 1 2 295.180 3.164 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001255164507 806563479 /nfs/dbraw/zinc/56/34/79/806563479.db2.gz KXWVZCWMUGQICX-KGLIPLIRSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001255164507 806563498 /nfs/dbraw/zinc/56/34/98/806563498.db2.gz KXWVZCWMUGQICX-KGLIPLIRSA-N 1 2 295.427 3.010 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000398069861 799525290 /nfs/dbraw/zinc/52/52/90/799525290.db2.gz DFFXMOUUZPANQI-BXUZGUMPSA-N 1 2 280.318 3.427 20 30 CGEDLO CC(=O)C=C(C)Nc1c[nH+]c2cc(Br)ccn12 ZINC001163739636 806814308 /nfs/dbraw/zinc/81/43/08/806814308.db2.gz UPJXEWOLGCLBMP-YVMONPNESA-N 1 2 294.152 3.002 20 30 CGEDLO C[C@@H](Cc1cccc(Br)c1)[NH+]1CC(CC#N)C1 ZINC001256179210 806844160 /nfs/dbraw/zinc/84/41/60/806844160.db2.gz AWCGPQASJUFDQZ-NSHDSACASA-N 1 2 293.208 3.226 20 30 CGEDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934475611 800679064 /nfs/dbraw/zinc/67/90/64/800679064.db2.gz OKIPAPWRIQCZSW-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934475611 800679066 /nfs/dbraw/zinc/67/90/66/800679066.db2.gz OKIPAPWRIQCZSW-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001027725765 800818131 /nfs/dbraw/zinc/81/81/31/800818131.db2.gz JUWVARFXNZDOAY-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001027725765 800818137 /nfs/dbraw/zinc/81/81/37/800818137.db2.gz JUWVARFXNZDOAY-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001256363110 806867525 /nfs/dbraw/zinc/86/75/25/806867525.db2.gz GPIYGPZAZUFGOC-WCQYABFASA-N 1 2 253.411 3.085 20 30 CGEDLO CC(C)CC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001256363110 806867532 /nfs/dbraw/zinc/86/75/32/806867532.db2.gz GPIYGPZAZUFGOC-WCQYABFASA-N 1 2 253.411 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033676034 800973699 /nfs/dbraw/zinc/97/36/99/800973699.db2.gz SXPZGELBMXBPCF-HNNXBMFYSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033676034 800973703 /nfs/dbraw/zinc/97/37/03/800973703.db2.gz SXPZGELBMXBPCF-HNNXBMFYSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001044378787 801239459 /nfs/dbraw/zinc/23/94/59/801239459.db2.gz DUROPAZIEKAIKE-UHFFFAOYSA-N 1 2 292.467 3.312 20 30 CGEDLO CC1(C)CN(c2[nH+]ccc3ccc(C#N)cc32)[C@](C)(CO)C1 ZINC001164356897 806939241 /nfs/dbraw/zinc/93/92/41/806939241.db2.gz KUXCKIVKVRMHKY-SFHVURJKSA-N 1 2 295.386 3.094 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109336939 802115053 /nfs/dbraw/zinc/11/50/53/802115053.db2.gz QYAGMOFDLVATOQ-RDBSUJKOSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109336939 802115056 /nfs/dbraw/zinc/11/50/56/802115056.db2.gz QYAGMOFDLVATOQ-RDBSUJKOSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)CC)C2 ZINC001109874791 802127877 /nfs/dbraw/zinc/12/78/77/802127877.db2.gz RZKPRCOIQDWBDV-RZFFKMDDSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)CC)C2 ZINC001109874791 802127883 /nfs/dbraw/zinc/12/78/83/802127883.db2.gz RZKPRCOIQDWBDV-RZFFKMDDSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110934383 802150459 /nfs/dbraw/zinc/15/04/59/802150459.db2.gz BGMIAAMPPHHAPI-YJNKXOJESA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110934383 802150463 /nfs/dbraw/zinc/15/04/63/802150463.db2.gz BGMIAAMPPHHAPI-YJNKXOJESA-N 1 2 296.842 3.063 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC001113401478 802218101 /nfs/dbraw/zinc/21/81/01/802218101.db2.gz CWAHBTSFVQXGQV-KRWDZBQOSA-N 1 2 292.467 3.313 20 30 CGEDLO COc1ccc(-c2cccc3[nH+]c(C)cn32)c(C#N)c1 ZINC001243726644 802967735 /nfs/dbraw/zinc/96/77/35/802967735.db2.gz WMRSQGFKCYUJGK-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132247929 803386411 /nfs/dbraw/zinc/38/64/11/803386411.db2.gz AFGZJDIJYROUGU-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132247929 803386417 /nfs/dbraw/zinc/38/64/17/803386417.db2.gz AFGZJDIJYROUGU-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1C#N ZINC001244481482 803392126 /nfs/dbraw/zinc/39/21/26/803392126.db2.gz COQPUULMKCJOHE-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397769 803400274 /nfs/dbraw/zinc/40/02/74/803400274.db2.gz WMNJXUYZBAQNJA-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132397769 803400280 /nfs/dbraw/zinc/40/02/80/803400280.db2.gz WMNJXUYZBAQNJA-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO Cn1ccc2c1cc[nH+]c2-c1cc(C#N)ccc1F ZINC001244555253 803435987 /nfs/dbraw/zinc/43/59/87/803435987.db2.gz WHGJCVFJOKLQCK-UHFFFAOYSA-N 1 2 251.264 3.251 20 30 CGEDLO CCc1cc(-c2ccc(Cn3cc[nH+]c3)cn2)ccc1C#N ZINC001244951818 803589345 /nfs/dbraw/zinc/58/93/45/803589345.db2.gz ZVQQMTYTNMGVNJ-UHFFFAOYSA-N 1 2 288.354 3.427 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001139647393 804243153 /nfs/dbraw/zinc/24/31/53/804243153.db2.gz ZAQFGGCGDDCMSY-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001139647393 804243157 /nfs/dbraw/zinc/24/31/57/804243157.db2.gz ZAQFGGCGDDCMSY-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO CC(C)(Nc1[nH+]cnc2[nH]cc(F)c21)c1ccc(C#N)cc1 ZINC001165734338 807015590 /nfs/dbraw/zinc/01/55/90/807015590.db2.gz FXILZVYELNQILQ-UHFFFAOYSA-N 1 2 295.321 3.316 20 30 CGEDLO C[N@H+](Cc1sc(N)c(C#N)c1Cl)C1CC(F)(F)C1 ZINC001141108605 804591998 /nfs/dbraw/zinc/59/19/98/804591998.db2.gz BLBNMRYJTJUMCY-UHFFFAOYSA-N 1 2 291.754 3.085 20 30 CGEDLO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C1CC(F)(F)C1 ZINC001141108605 804591999 /nfs/dbraw/zinc/59/19/99/804591999.db2.gz BLBNMRYJTJUMCY-UHFFFAOYSA-N 1 2 291.754 3.085 20 30 CGEDLO C(#Cc1ccccc1)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)s1 ZINC001141977947 804683059 /nfs/dbraw/zinc/68/30/59/804683059.db2.gz UKPIOUMVRLOINR-HOTGVXAUSA-N 1 2 295.407 3.121 20 30 CGEDLO C(#Cc1ccccc1)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)s1 ZINC001141977947 804683062 /nfs/dbraw/zinc/68/30/62/804683062.db2.gz UKPIOUMVRLOINR-HOTGVXAUSA-N 1 2 295.407 3.121 20 30 CGEDLO N#CCC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726171 804888927 /nfs/dbraw/zinc/88/89/27/804888927.db2.gz IZJNETGXQCABSW-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO CC1(C)C[N@H+](Cc2c(Cl)cccc2C#N)CCCO1 ZINC001143726688 804889518 /nfs/dbraw/zinc/88/95/18/804889518.db2.gz YHSBOAYCSRFADJ-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2C#N)CCCO1 ZINC001143726688 804889525 /nfs/dbraw/zinc/88/95/25/804889525.db2.gz YHSBOAYCSRFADJ-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1F ZINC001143915014 804905845 /nfs/dbraw/zinc/90/58/45/804905845.db2.gz PYIRGTRYSGCYHN-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1F ZINC001143915014 804905850 /nfs/dbraw/zinc/90/58/50/804905850.db2.gz PYIRGTRYSGCYHN-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C=CC[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001144008881 804921687 /nfs/dbraw/zinc/92/16/87/804921687.db2.gz TWNCCTRMUNWTKE-VDZSZVPASA-N 1 2 298.430 3.056 20 30 CGEDLO C[C@H](C#N)c1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC001148612854 805200096 /nfs/dbraw/zinc/20/00/96/805200096.db2.gz BWLKTDKCQCSZDB-GFCCVEGCSA-N 1 2 290.326 3.214 20 30 CGEDLO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC=C(Cl)Cl ZINC001152313522 805345088 /nfs/dbraw/zinc/34/50/88/805345088.db2.gz PTXUSTSWSWZBCV-LLVKDONJSA-N 1 2 293.238 3.098 20 30 CGEDLO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(Cl)Cl ZINC001152313522 805345099 /nfs/dbraw/zinc/34/50/99/805345099.db2.gz PTXUSTSWSWZBCV-LLVKDONJSA-N 1 2 293.238 3.098 20 30 CGEDLO COC(=[NH2+])c1cccc(NCc2ccccc2C#N)c1 ZINC001167634050 807220885 /nfs/dbraw/zinc/22/08/85/807220885.db2.gz RGTXBJHDRNHTHS-UHFFFAOYSA-N 1 2 265.316 3.142 20 30 CGEDLO Cc1cc([NH2+]CCc2ccc(C#N)cc2)ccc1N ZINC001167679598 807225859 /nfs/dbraw/zinc/22/58/59/807225859.db2.gz VZBRXOCTIXILPW-UHFFFAOYSA-N 1 2 251.333 3.104 20 30 CGEDLO N#CCCCC[NH2+]c1cc2c3c(c1)CCCN3CCC2 ZINC001168433650 807414206 /nfs/dbraw/zinc/41/42/06/807414206.db2.gz GNIAQLIVNLQFIX-UHFFFAOYSA-N 1 2 269.392 3.491 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC001258718053 807567940 /nfs/dbraw/zinc/56/79/40/807567940.db2.gz DNPGRKXNIXIPHB-GOEBONIOSA-N 1 2 275.392 3.105 20 30 CGEDLO CC#CC[N@H+](C)Cc1ccc(C)cc1Br ZINC001170703629 807878420 /nfs/dbraw/zinc/87/84/20/807878420.db2.gz RKCCROFIQWVROD-UHFFFAOYSA-N 1 2 266.182 3.213 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ccc(C)cc1Br ZINC001170703629 807878424 /nfs/dbraw/zinc/87/84/24/807878424.db2.gz RKCCROFIQWVROD-UHFFFAOYSA-N 1 2 266.182 3.213 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050945 807972605 /nfs/dbraw/zinc/97/26/05/807972605.db2.gz UFNFYQAHOZABFR-TZMCWYRMSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050945 807972608 /nfs/dbraw/zinc/97/26/08/807972608.db2.gz UFNFYQAHOZABFR-TZMCWYRMSA-N 1 2 274.795 3.433 20 30 CGEDLO C[N@H+](Cc1ccns1)Cc1cc(Cl)cc(C#N)c1 ZINC001171867380 808150063 /nfs/dbraw/zinc/15/00/63/808150063.db2.gz DOKYWKJVFLHYGR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1ccns1)Cc1cc(Cl)cc(C#N)c1 ZINC001171867380 808150066 /nfs/dbraw/zinc/15/00/66/808150066.db2.gz DOKYWKJVFLHYGR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO CCCCCCCC[C@H](CC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001172502896 808359283 /nfs/dbraw/zinc/35/92/83/808359283.db2.gz NCIBJDRMMCGGNS-QLFBSQMISA-N 1 2 287.444 3.028 20 30 CGEDLO N#Cc1cc(F)c(F)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213033530 815206695 /nfs/dbraw/zinc/20/66/95/815206695.db2.gz LHXIVSGFSZAWCD-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC)cc2C(F)(F)F)cc[nH+]1 ZINC001213047557 815211767 /nfs/dbraw/zinc/21/17/67/815211767.db2.gz PGODWZBTRVGILI-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001268492594 808594159 /nfs/dbraw/zinc/59/41/59/808594159.db2.gz ZAUUOWORFXBNRV-UHFFFAOYSA-N 1 2 280.456 3.071 20 30 CGEDLO C=CCOC1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001173312743 808607581 /nfs/dbraw/zinc/60/75/81/808607581.db2.gz LOINAZOLKACQBN-YMAMQOFZSA-N 1 2 250.386 3.028 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001269584156 808690365 /nfs/dbraw/zinc/69/03/65/808690365.db2.gz TYTUNASNHYXJTQ-CFVMTHIKSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001269584156 808690369 /nfs/dbraw/zinc/69/03/69/808690369.db2.gz TYTUNASNHYXJTQ-CFVMTHIKSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(CC)cc1 ZINC001275985959 808982085 /nfs/dbraw/zinc/98/20/85/808982085.db2.gz HBBSAQLYWRCTDM-CYBMUJFWSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(CC)cc1 ZINC001275985959 808982086 /nfs/dbraw/zinc/98/20/86/808982086.db2.gz HBBSAQLYWRCTDM-CYBMUJFWSA-N 1 2 294.826 3.052 20 30 CGEDLO N#Cc1cc(Nc2cc[nH+]c3[nH]ccc32)cc(F)c1F ZINC001174412645 809006285 /nfs/dbraw/zinc/00/62/85/809006285.db2.gz BPWJDTHXXAXXCE-UHFFFAOYSA-N 1 2 270.242 3.408 20 30 CGEDLO N#Cc1ccc(F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351541 809373903 /nfs/dbraw/zinc/37/39/03/809373903.db2.gz IASBUDWWKHFXNE-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cc(C#N)ccn1 ZINC001213489587 815288493 /nfs/dbraw/zinc/28/84/93/815288493.db2.gz SVKILDMIYYSBFL-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO N#Cc1sccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749724 809757613 /nfs/dbraw/zinc/75/76/13/809757613.db2.gz HYLSZUIKKZHNOH-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO Cc1cc(C#N)cc(NCc2c[nH+]c3c(C)cccn23)c1 ZINC001178945709 809895389 /nfs/dbraw/zinc/89/53/89/809895389.db2.gz WVZOLMWRPNSXPY-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO COc1nc(C[N@H+](CCC#N)CC(C)(C)C)ccc1C ZINC001180030485 809968482 /nfs/dbraw/zinc/96/84/82/809968482.db2.gz NBERIZHYXKAZRQ-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO COc1nc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1C ZINC001180030485 809968487 /nfs/dbraw/zinc/96/84/87/809968487.db2.gz NBERIZHYXKAZRQ-UHFFFAOYSA-N 1 2 275.396 3.160 20 30 CGEDLO C#CCC[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001198280281 811490039 /nfs/dbraw/zinc/49/00/39/811490039.db2.gz VONAHHBBCIIBDT-UHFFFAOYSA-N 1 2 298.611 3.484 20 30 CGEDLO C#CCC[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001198280281 811490041 /nfs/dbraw/zinc/49/00/41/811490041.db2.gz VONAHHBBCIIBDT-UHFFFAOYSA-N 1 2 298.611 3.484 20 30 CGEDLO N#Cc1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001203056549 812231569 /nfs/dbraw/zinc/23/15/69/812231569.db2.gz OMUFMRIIABCHHR-UHFFFAOYSA-N 1 2 293.305 3.081 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2nc(Cl)ccc2C#N)c1 ZINC001203655823 812417059 /nfs/dbraw/zinc/41/70/59/812417059.db2.gz CEQIZGAHLUZKCU-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC001204223862 812577847 /nfs/dbraw/zinc/57/78/47/812577847.db2.gz MRBVFXHGDFCXML-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC001204223862 812577851 /nfs/dbraw/zinc/57/78/51/812577851.db2.gz MRBVFXHGDFCXML-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C[N@H+](CCC(=O)c1cccs1)Cc1ccccc1C#N ZINC001204372397 812622437 /nfs/dbraw/zinc/62/24/37/812622437.db2.gz CUGNQXWLGUSMKG-UHFFFAOYSA-N 1 2 284.384 3.325 20 30 CGEDLO C[N@@H+](CCC(=O)c1cccs1)Cc1ccccc1C#N ZINC001204372397 812622439 /nfs/dbraw/zinc/62/24/39/812622439.db2.gz CUGNQXWLGUSMKG-UHFFFAOYSA-N 1 2 284.384 3.325 20 30 CGEDLO C#C[C@H](C)[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC001205745154 813065746 /nfs/dbraw/zinc/06/57/46/813065746.db2.gz UICYIDJWWTWRHP-ZETCQYMHSA-N 1 2 290.563 3.353 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3ccccc3F)CCC2S1 ZINC001207492804 813575637 /nfs/dbraw/zinc/57/56/37/813575637.db2.gz ZNBBQFSQPLRATD-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3ccccc3F)CCC2S1 ZINC001207492804 813575646 /nfs/dbraw/zinc/57/56/46/813575646.db2.gz ZNBBQFSQPLRATD-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3ccccc3F)CC[C@@H]2S1 ZINC001207492804 813575649 /nfs/dbraw/zinc/57/56/49/813575649.db2.gz ZNBBQFSQPLRATD-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3ccccc3F)CC[C@@H]2S1 ZINC001207492804 813575654 /nfs/dbraw/zinc/57/56/54/813575654.db2.gz ZNBBQFSQPLRATD-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)c(F)c2)cc[nH+]1 ZINC001209910624 814197582 /nfs/dbraw/zinc/19/75/82/814197582.db2.gz BYRGOSTUGUHZRO-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2cccnc2C#N)cc1 ZINC001210149883 814313375 /nfs/dbraw/zinc/31/33/75/814313375.db2.gz IBJHSZAYHMRDFK-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2cccnc2C#N)cc1 ZINC001210149883 814313384 /nfs/dbraw/zinc/31/33/84/814313384.db2.gz IBJHSZAYHMRDFK-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO C#CCOc1ccc(Nc2cc(C)[nH+]c(OC)c2)cc1 ZINC001210780185 814626419 /nfs/dbraw/zinc/62/64/19/814626419.db2.gz DPYYSNUXXDUBHE-UHFFFAOYSA-N 1 2 268.316 3.154 20 30 CGEDLO Cc1cn2cccc(Nc3cc(C#N)cc([N+](=O)[O-])c3)c2[nH+]1 ZINC001211326994 814879259 /nfs/dbraw/zinc/87/92/59/814879259.db2.gz KPWVWQLKDQAQEP-UHFFFAOYSA-N 1 2 293.286 3.166 20 30 CGEDLO CCc1cc(Nc2c[nH+]ccc2OC)ccc1C#N ZINC001216315940 815778010 /nfs/dbraw/zinc/77/80/10/815778010.db2.gz UIVZBGYMUDKXPJ-UHFFFAOYSA-N 1 2 253.305 3.268 20 30 CGEDLO Cc1cc(C#N)cc(C)c1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001222654589 816491229 /nfs/dbraw/zinc/49/12/29/816491229.db2.gz AIYSZBSBPFGXOB-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(C2(C#N)CCCC2)cc1 ZINC001243068980 823234772 /nfs/dbraw/zinc/23/47/72/823234772.db2.gz LQBRGLJXGZWNIS-UHFFFAOYSA-N 1 2 251.333 3.422 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071886 818247653 /nfs/dbraw/zinc/24/76/53/818247653.db2.gz RYROEPKPFJOYNG-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071886 818247659 /nfs/dbraw/zinc/24/76/59/818247659.db2.gz RYROEPKPFJOYNG-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1Cl ZINC001232112586 818258865 /nfs/dbraw/zinc/25/88/65/818258865.db2.gz YISNCPLHCQVQBM-UHFFFAOYSA-N 1 2 282.721 3.443 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001232235779 818287814 /nfs/dbraw/zinc/28/78/14/818287814.db2.gz VBANGVMOKAXAMP-SFHVURJKSA-N 1 2 279.387 3.272 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001232235779 818287820 /nfs/dbraw/zinc/28/78/20/818287820.db2.gz VBANGVMOKAXAMP-SFHVURJKSA-N 1 2 279.387 3.272 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(Br)nc1C ZINC001232322678 818314037 /nfs/dbraw/zinc/31/40/37/818314037.db2.gz MVHAHMOVDNCVTR-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(Br)nc1C ZINC001232322678 818314044 /nfs/dbraw/zinc/31/40/44/818314044.db2.gz MVHAHMOVDNCVTR-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO C=CCN1CC[NH+](Cc2cc(C)ccc2OC(C)C)CC1 ZINC001232398073 818340791 /nfs/dbraw/zinc/34/07/91/818340791.db2.gz YTLFYDJNWBHPSX-UHFFFAOYSA-N 1 2 288.435 3.086 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1O ZINC001232678587 818416336 /nfs/dbraw/zinc/41/63/36/818416336.db2.gz IXOTVDUMTJRSKC-UHFFFAOYSA-N 1 2 296.370 3.295 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1O ZINC001232678587 818416342 /nfs/dbraw/zinc/41/63/42/818416342.db2.gz IXOTVDUMTJRSKC-UHFFFAOYSA-N 1 2 296.370 3.295 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC001232679943 818419395 /nfs/dbraw/zinc/41/93/95/818419395.db2.gz VSRLSJJCKJBCGK-UHFFFAOYSA-N 1 2 293.370 3.038 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)[nH]1 ZINC001232694684 818420725 /nfs/dbraw/zinc/42/07/25/818420725.db2.gz QRMMSIMIKLRMHM-WLLOZRIZSA-N 1 2 294.196 3.044 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)[nH]1 ZINC001232694684 818420731 /nfs/dbraw/zinc/42/07/31/818420731.db2.gz QRMMSIMIKLRMHM-WLLOZRIZSA-N 1 2 294.196 3.044 20 30 CGEDLO CSc1cccc(Cl)c1C[NH+]1CC(CC#N)C1 ZINC001233350367 818594186 /nfs/dbraw/zinc/59/41/86/818594186.db2.gz FGACSZQEGHANEK-UHFFFAOYSA-N 1 2 266.797 3.407 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)c(O)c1 ZINC001233387102 818607391 /nfs/dbraw/zinc/60/73/91/818607391.db2.gz UZFXHWMLGAKTOC-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C=CC[N@H+](Cc1c(F)ccc(O)c1F)C(C)(C)C ZINC001233396541 818611240 /nfs/dbraw/zinc/61/12/40/818611240.db2.gz IRLJOVUMRCZCCU-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO C=CC[N@@H+](Cc1c(F)ccc(O)c1F)C(C)(C)C ZINC001233396541 818611244 /nfs/dbraw/zinc/61/12/44/818611244.db2.gz IRLJOVUMRCZCCU-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Br)ncc1Cl ZINC001233428022 818617093 /nfs/dbraw/zinc/61/70/93/818617093.db2.gz UTXLBLZKQWGPAP-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Br)ncc1Cl ZINC001233428022 818617097 /nfs/dbraw/zinc/61/70/97/818617097.db2.gz UTXLBLZKQWGPAP-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc2cccc(F)c2[nH]1 ZINC001235246099 819046502 /nfs/dbraw/zinc/04/65/02/819046502.db2.gz JFKUDSHWLZLRPX-UHFFFAOYSA-N 1 2 259.328 3.433 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc2cccc(F)c2[nH]1 ZINC001235246099 819046504 /nfs/dbraw/zinc/04/65/04/819046504.db2.gz JFKUDSHWLZLRPX-UHFFFAOYSA-N 1 2 259.328 3.433 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(C#N)cc1F ZINC001236530125 819521543 /nfs/dbraw/zinc/52/15/43/819521543.db2.gz DGSUKXPYZIJDLL-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cc1c(-c2ccc(C#N)cc2F)ccc2[nH+]ccn21 ZINC001236534314 819526082 /nfs/dbraw/zinc/52/60/82/819526082.db2.gz BDUCAPHKYCQWAP-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237225376 819705335 /nfs/dbraw/zinc/70/53/35/819705335.db2.gz NUACWNIAZRQNPK-GOSISDBHSA-N 1 2 298.430 3.483 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237225376 819705341 /nfs/dbraw/zinc/70/53/41/819705341.db2.gz NUACWNIAZRQNPK-GOSISDBHSA-N 1 2 298.430 3.483 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237549039 819777852 /nfs/dbraw/zinc/77/78/52/819777852.db2.gz GYSVEDZGGPFRIS-SFHVURJKSA-N 1 2 277.371 3.484 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237549039 819777856 /nfs/dbraw/zinc/77/78/56/819777856.db2.gz GYSVEDZGGPFRIS-SFHVURJKSA-N 1 2 277.371 3.484 20 30 CGEDLO C=CC[N@@H+](C)Cc1cccc(OC)c1Br ZINC001237866029 819864222 /nfs/dbraw/zinc/86/42/22/819864222.db2.gz RRTZBIDWTDGUEG-UHFFFAOYSA-N 1 2 270.170 3.076 20 30 CGEDLO C=CC[N@H+](C)Cc1cccc(OC)c1Br ZINC001237866029 819864232 /nfs/dbraw/zinc/86/42/32/819864232.db2.gz RRTZBIDWTDGUEG-UHFFFAOYSA-N 1 2 270.170 3.076 20 30 CGEDLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC001238084968 819927963 /nfs/dbraw/zinc/92/79/63/819927963.db2.gz RYLJDHYKFXSVEL-OAHLLOKOSA-N 1 2 278.783 3.068 20 30 CGEDLO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001238084968 819927966 /nfs/dbraw/zinc/92/79/66/819927966.db2.gz RYLJDHYKFXSVEL-OAHLLOKOSA-N 1 2 278.783 3.068 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@H](C#N)C2)c(-c2ccccc2)cn1 ZINC001238601548 820055448 /nfs/dbraw/zinc/05/54/48/820055448.db2.gz GMBKTYUNIISTDA-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@H](C#N)C2)c(-c2ccccc2)cn1 ZINC001238601548 820055455 /nfs/dbraw/zinc/05/54/55/820055455.db2.gz GMBKTYUNIISTDA-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO N#Cc1ccc2cc(-c3ccc4[nH+]ccn4c3)ccc2n1 ZINC001240218872 820892786 /nfs/dbraw/zinc/89/27/86/820892786.db2.gz NFCHMBBUZSNVJV-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#CCc1ccc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001240508719 821104112 /nfs/dbraw/zinc/10/41/12/821104112.db2.gz JNDVBSISUCZQBM-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO CC1(C)CC(=O)C=C(c2cc[nH+]c(N3CCCC3)c2)C1 ZINC001242316635 822949683 /nfs/dbraw/zinc/94/96/83/822949683.db2.gz JEEUTFFQORRWLS-UHFFFAOYSA-N 1 2 270.376 3.454 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2ccc(O)c(C#N)c2)cc1 ZINC001242565630 823036288 /nfs/dbraw/zinc/03/62/88/823036288.db2.gz NUWSBOIOPWLYTD-UHFFFAOYSA-N 1 2 275.311 3.331 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001346488756 936850676 /nfs/dbraw/zinc/85/06/76/936850676.db2.gz HTUONCSKWSQGLH-AWEZNQCLSA-N 1 2 284.363 3.297 20 30 CGEDLO Cc1ccc(F)c(N[NH+]=Cc2cccnc2N(C)C)c1 ZINC001346854640 936864109 /nfs/dbraw/zinc/86/41/09/936864109.db2.gz VVBKWGAOPJZNEB-UHFFFAOYSA-N 1 2 272.327 3.041 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001348782804 936933798 /nfs/dbraw/zinc/93/37/98/936933798.db2.gz CETGRYHBCKZHBM-DLBZAZTESA-N 1 2 295.386 3.016 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2c(c(C)ccc2O)[C@H]1C ZINC001350598976 936995317 /nfs/dbraw/zinc/99/53/17/936995317.db2.gz FARVLDJIKMKKNN-HKMIMPICSA-N 1 2 282.343 3.300 20 30 CGEDLO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC001353232449 937060636 /nfs/dbraw/zinc/06/06/36/937060636.db2.gz TWVXTSAHEYHTGW-ZIAGYGMSSA-N 1 2 295.390 3.150 20 30 CGEDLO Cc1cn2cc(NC(=O)c3sccc3CC#N)ccc2[nH+]1 ZINC001357171727 937167343 /nfs/dbraw/zinc/16/73/43/937167343.db2.gz XLBRPDYJUMYSNH-UHFFFAOYSA-N 1 2 296.355 3.023 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001485334029 927849019 /nfs/dbraw/zinc/84/90/19/927849019.db2.gz LJEQLPIJPLJYMZ-ZQDZILKHSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001485334029 927849026 /nfs/dbraw/zinc/84/90/26/927849026.db2.gz LJEQLPIJPLJYMZ-ZQDZILKHSA-N 1 2 298.858 3.002 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)cc1 ZINC001144573269 928200003 /nfs/dbraw/zinc/20/00/03/928200003.db2.gz GIANRDMDEBOMEP-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCc3nc(Cl)ccc3C2)cc1 ZINC001144573269 928200015 /nfs/dbraw/zinc/20/00/15/928200015.db2.gz GIANRDMDEBOMEP-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490430728 928364676 /nfs/dbraw/zinc/36/46/76/928364676.db2.gz KFJWOXHTYVTRDB-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490430728 928364689 /nfs/dbraw/zinc/36/46/89/928364689.db2.gz KFJWOXHTYVTRDB-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001546037737 937395232 /nfs/dbraw/zinc/39/52/32/937395232.db2.gz OQDAFADMPDGZQT-QGZVFWFLSA-N 1 2 297.402 3.324 20 30 CGEDLO CCCCCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC001460310349 937525445 /nfs/dbraw/zinc/52/54/45/937525445.db2.gz PUCDLIVDZSWHBU-INIZCTEOSA-N 1 2 277.408 3.331 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Cl)cc2c1OCC2 ZINC001333826607 932762262 /nfs/dbraw/zinc/76/22/62/932762262.db2.gz TYJFPQQLPVSCGS-SNVBAGLBSA-N 1 2 276.767 3.229 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(C)C)nc1CC ZINC001307497229 932961399 /nfs/dbraw/zinc/96/13/99/932961399.db2.gz ORTDHYUTYXPYGR-UHFFFAOYSA-N 1 2 268.404 3.226 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(C)C)nc1CC ZINC001307497229 932961402 /nfs/dbraw/zinc/96/14/02/932961402.db2.gz ORTDHYUTYXPYGR-UHFFFAOYSA-N 1 2 268.404 3.226 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@H](OCCCC)C1(C)C)C(=O)OC ZINC001308902549 933199890 /nfs/dbraw/zinc/19/98/90/933199890.db2.gz RABWBJFHYAZGIA-KKUMJFAQSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(C)CCC(=O)NCCC[N@@H+](C)C/C(Cl)=C\Cl ZINC001316824896 933484666 /nfs/dbraw/zinc/48/46/66/933484666.db2.gz CTRGABRNQCBOIB-FMIVXFBMSA-N 1 2 293.238 3.100 20 30 CGEDLO C=C(C)CCC(=O)NCCC[N@H+](C)C/C(Cl)=C\Cl ZINC001316824896 933484668 /nfs/dbraw/zinc/48/46/68/933484668.db2.gz CTRGABRNQCBOIB-FMIVXFBMSA-N 1 2 293.238 3.100 20 30 CGEDLO C=C(C)CCC(=O)NCCC[N@@H+](C)C/C(Cl)=C/Cl ZINC001316824897 933486031 /nfs/dbraw/zinc/48/60/31/933486031.db2.gz CTRGABRNQCBOIB-XFXZXTDPSA-N 1 2 293.238 3.100 20 30 CGEDLO C=C(C)CCC(=O)NCCC[N@H+](C)C/C(Cl)=C/Cl ZINC001316824897 933486035 /nfs/dbraw/zinc/48/60/35/933486035.db2.gz CTRGABRNQCBOIB-XFXZXTDPSA-N 1 2 293.238 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001317507338 933608003 /nfs/dbraw/zinc/60/80/03/933608003.db2.gz BPOBIWRXDBCAOV-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001317507338 933608009 /nfs/dbraw/zinc/60/80/09/933608009.db2.gz BPOBIWRXDBCAOV-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC001317552022 933617578 /nfs/dbraw/zinc/61/75/78/933617578.db2.gz OENBSHYJRCFWGC-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC001317552022 933617581 /nfs/dbraw/zinc/61/75/81/933617581.db2.gz OENBSHYJRCFWGC-CQSZACIVSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H](CC)CCCC)C1 ZINC001318105094 933684823 /nfs/dbraw/zinc/68/48/23/933684823.db2.gz DQODLVLEMPOTFF-AWEZNQCLSA-N 1 2 286.847 3.003 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001319324311 933856526 /nfs/dbraw/zinc/85/65/26/933856526.db2.gz JIWLTQLHFUYYFA-GOEBONIOSA-N 1 2 283.375 3.268 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1=S ZINC001320525387 934058967 /nfs/dbraw/zinc/05/89/67/934058967.db2.gz KPFWQFBUVYYOAB-CYBMUJFWSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1=S ZINC001320525387 934058975 /nfs/dbraw/zinc/05/89/75/934058975.db2.gz KPFWQFBUVYYOAB-CYBMUJFWSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CC[C@H]([NH2+]C1CC(c2ccccc2C)C1)C(=O)OCC ZINC001320765886 934099322 /nfs/dbraw/zinc/09/93/22/934099322.db2.gz FYSDEULWEPVLJW-DQPZFDDXSA-N 1 2 287.403 3.338 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccnc(Cl)c1 ZINC001322820807 934338754 /nfs/dbraw/zinc/33/87/54/934338754.db2.gz YYAAHMLYPDAHIF-AATRIKPKSA-N 1 2 287.750 3.092 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716809 935080319 /nfs/dbraw/zinc/08/03/19/935080319.db2.gz QENZVUMGYGAHPE-DZGCQCFKSA-N 1 2 299.374 3.075 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC001327716809 935080329 /nfs/dbraw/zinc/08/03/29/935080329.db2.gz QENZVUMGYGAHPE-DZGCQCFKSA-N 1 2 299.374 3.075 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](C/C=C/C)C2)c1=S ZINC001329197174 935195170 /nfs/dbraw/zinc/19/51/70/935195170.db2.gz XNNDGZNGLGIRDX-KQIUPUNMSA-N 1 2 292.452 3.236 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](C/C=C/C)C2)c1=S ZINC001329197174 935195177 /nfs/dbraw/zinc/19/51/77/935195177.db2.gz XNNDGZNGLGIRDX-KQIUPUNMSA-N 1 2 292.452 3.236 20 30 CGEDLO Cc1ccc(N[C@@H](C)c2cccc(C#N)c2O)c(C)[nH+]1 ZINC001329747936 935243426 /nfs/dbraw/zinc/24/34/26/935243426.db2.gz DTBDXXSAYPPHHX-NSHDSACASA-N 1 2 267.332 3.449 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1nc(C)c(C(C)(C)C)s1)[C@H]1CCCO1 ZINC001332897637 935496058 /nfs/dbraw/zinc/49/60/58/935496058.db2.gz NMJVFLCXDFAXQN-CHWSQXEVSA-N 1 2 292.448 3.019 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001507379890 937995678 /nfs/dbraw/zinc/99/56/78/937995678.db2.gz CCFFULBAHSCSBA-HUUCEWRRSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001507379890 937995679 /nfs/dbraw/zinc/99/56/79/937995679.db2.gz CCFFULBAHSCSBA-HUUCEWRRSA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001559178002 938221788 /nfs/dbraw/zinc/22/17/88/938221788.db2.gz VEHDOEXZBKUFMT-GDBMZVCRSA-N 1 2 287.407 3.446 20 30 CGEDLO C=CC1CC[NH+](Cc2c(Cl)ccnc2F)CC1 ZINC001560630846 938266786 /nfs/dbraw/zinc/26/67/86/938266786.db2.gz LIDWYTOHJSFLJP-UHFFFAOYSA-N 1 2 254.736 3.272 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C1CCCCCC1 ZINC001482584098 957731621 /nfs/dbraw/zinc/73/16/21/957731621.db2.gz HQYSSGZJUPNRST-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C1CCCCCC1 ZINC001482584098 957731631 /nfs/dbraw/zinc/73/16/31/957731631.db2.gz HQYSSGZJUPNRST-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CC[C@@H](C)C1)C1CC1 ZINC001567447702 961350376 /nfs/dbraw/zinc/35/03/76/961350376.db2.gz ZKNQLAXHNUBIFU-OCCSQVGLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CC[C@@H](C)C1)C1CC1 ZINC001567447702 961350394 /nfs/dbraw/zinc/35/03/94/961350394.db2.gz ZKNQLAXHNUBIFU-OCCSQVGLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC(=C)Cl)C2)CCC1 ZINC001567777851 961429796 /nfs/dbraw/zinc/42/97/96/961429796.db2.gz VGLFSIXHNLTUJT-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(=C)Cl)C2)CCC1 ZINC001567777851 961429805 /nfs/dbraw/zinc/42/98/05/961429805.db2.gz VGLFSIXHNLTUJT-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)CC)CC2 ZINC001568250056 961528480 /nfs/dbraw/zinc/52/84/80/961528480.db2.gz SUSBVPNSVOWWBJ-CYBMUJFWSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)CC)CC2 ZINC001568250057 961532284 /nfs/dbraw/zinc/53/22/84/961532284.db2.gz SUSBVPNSVOWWBJ-ZDUSSCGKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC001569123453 961703958 /nfs/dbraw/zinc/70/39/58/961703958.db2.gz WHHTVBOJYWCWOV-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC001569123453 961703967 /nfs/dbraw/zinc/70/39/67/961703967.db2.gz WHHTVBOJYWCWOV-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO CCCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001585355284 963003508 /nfs/dbraw/zinc/00/35/08/963003508.db2.gz XQEPYXCDBBNXJL-UHFFFAOYSA-N 1 2 259.353 3.263 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000337416749 214068381 /nfs/dbraw/zinc/06/83/81/214068381.db2.gz RSPRAHSGCOMOMP-OAHLLOKOSA-N 1 2 294.345 3.447 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000337416749 214068384 /nfs/dbraw/zinc/06/83/84/214068384.db2.gz RSPRAHSGCOMOMP-OAHLLOKOSA-N 1 2 294.345 3.447 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000590596045 346853092 /nfs/dbraw/zinc/85/30/92/346853092.db2.gz XBKHIKUGTWXOQL-NSHDSACASA-N 1 2 275.302 3.295 20 30 CGEDLO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2[nH]ncc2Br)C1 ZINC000651720326 398275357 /nfs/dbraw/zinc/27/53/57/398275357.db2.gz WXZDNKKSISGCII-NXEZZACHSA-N 1 2 284.201 3.007 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000590660590 346860698 /nfs/dbraw/zinc/86/06/98/346860698.db2.gz UGIVOXSKZOVHAD-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000590660590 346860702 /nfs/dbraw/zinc/86/07/02/346860702.db2.gz UGIVOXSKZOVHAD-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cccc(F)c1C#N)CC2 ZINC000590760106 346872462 /nfs/dbraw/zinc/87/24/62/346872462.db2.gz VQWCTYRFDXTMCW-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cccc(F)c1C#N)CC2 ZINC000590760106 346872466 /nfs/dbraw/zinc/87/24/66/346872466.db2.gz VQWCTYRFDXTMCW-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#CC1(CC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)CCCCC1 ZINC000591011593 346894641 /nfs/dbraw/zinc/89/46/41/346894641.db2.gz ZJIQBMHKGABARO-OAHLLOKOSA-N 1 2 286.423 3.453 20 30 CGEDLO N#CC1(CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)CCCCC1 ZINC000591011593 346894644 /nfs/dbraw/zinc/89/46/44/346894644.db2.gz ZJIQBMHKGABARO-OAHLLOKOSA-N 1 2 286.423 3.453 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccncc1C#N ZINC000592073491 346961763 /nfs/dbraw/zinc/96/17/63/346961763.db2.gz ZXVJLGKWYWODBI-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592073491 346961766 /nfs/dbraw/zinc/96/17/66/346961766.db2.gz ZXVJLGKWYWODBI-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000027775629 344911545 /nfs/dbraw/zinc/91/15/45/344911545.db2.gz HZMATAPFWXGWHY-UHFFFAOYSA-N 1 2 298.361 3.452 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000027775629 344911547 /nfs/dbraw/zinc/91/15/47/344911547.db2.gz HZMATAPFWXGWHY-UHFFFAOYSA-N 1 2 298.361 3.452 20 30 CGEDLO N#CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052248217 345101108 /nfs/dbraw/zinc/10/11/08/345101108.db2.gz FCANFWCBSSMIKA-CQSZACIVSA-N 1 2 264.756 3.017 20 30 CGEDLO N#CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052248217 345101111 /nfs/dbraw/zinc/10/11/11/345101111.db2.gz FCANFWCBSSMIKA-CQSZACIVSA-N 1 2 264.756 3.017 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)no1)Cc1ccccc1F ZINC000056312457 345162278 /nfs/dbraw/zinc/16/22/78/345162278.db2.gz ACXMEDSOXQLTFE-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)no1)Cc1ccccc1F ZINC000056312457 345162282 /nfs/dbraw/zinc/16/22/82/345162282.db2.gz ACXMEDSOXQLTFE-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000054183462 345130492 /nfs/dbraw/zinc/13/04/92/345130492.db2.gz ZEXAWVMNCVVLIB-LLVKDONJSA-N 1 2 284.306 3.078 20 30 CGEDLO N#Cc1ccc(Cl)cc1NCCCCn1cc[nH+]c1 ZINC000062785516 345239995 /nfs/dbraw/zinc/23/99/95/345239995.db2.gz KGOSKRWYJFKIIF-UHFFFAOYSA-N 1 2 274.755 3.300 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000075682664 345518938 /nfs/dbraw/zinc/51/89/38/345518938.db2.gz FGRXQEOXNLIYAH-LLVKDONJSA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000075682664 345518940 /nfs/dbraw/zinc/51/89/40/345518940.db2.gz FGRXQEOXNLIYAH-LLVKDONJSA-N 1 2 286.297 3.219 20 30 CGEDLO CCCCn1c(S[C@@H](C)C#N)nnc1[C@@H](CC)[NH+](C)C ZINC000078249461 345595854 /nfs/dbraw/zinc/59/58/54/345595854.db2.gz RYBJHGTYIZZDIH-NWDGAFQWSA-N 1 2 295.456 3.095 20 30 CGEDLO Cc1cc(N2CCC3(CC2)C(F)(F)C3(F)F)c(C#N)c[nH+]1 ZINC000593494372 347087087 /nfs/dbraw/zinc/08/70/87/347087087.db2.gz QHVDCMJXPHXKON-UHFFFAOYSA-N 1 2 299.271 3.133 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000157738870 232233846 /nfs/dbraw/zinc/23/38/46/232233846.db2.gz WMAQFLPQWONKKJ-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO CCn1nc(C[N@H+](CC)C[C@H](C)C#N)c2ccccc21 ZINC000089174619 345766869 /nfs/dbraw/zinc/76/68/69/345766869.db2.gz ZTFLUUYJXRQHCO-CYBMUJFWSA-N 1 2 270.380 3.038 20 30 CGEDLO CCn1nc(C[N@@H+](CC)C[C@H](C)C#N)c2ccccc21 ZINC000089174619 345766873 /nfs/dbraw/zinc/76/68/73/345766873.db2.gz ZTFLUUYJXRQHCO-CYBMUJFWSA-N 1 2 270.380 3.038 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2CCC2)c1C#N ZINC000091070641 345803030 /nfs/dbraw/zinc/80/30/30/345803030.db2.gz BVVBLLBYCYHNQS-UHFFFAOYSA-N 1 2 280.375 3.037 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2CCC2)c1C#N ZINC000091070641 345803034 /nfs/dbraw/zinc/80/30/34/345803034.db2.gz BVVBLLBYCYHNQS-UHFFFAOYSA-N 1 2 280.375 3.037 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000093872267 345892078 /nfs/dbraw/zinc/89/20/78/345892078.db2.gz SBGIMZQMPZFVOW-QZTJIDSGSA-N 1 2 291.354 3.423 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000093872267 345892082 /nfs/dbraw/zinc/89/20/82/345892082.db2.gz SBGIMZQMPZFVOW-QZTJIDSGSA-N 1 2 291.354 3.423 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000125961269 346021265 /nfs/dbraw/zinc/02/12/65/346021265.db2.gz SFPRIHKCLMDUEZ-GDBMZVCRSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C(Br)C[N@@H+]1CCc2sccc2C1 ZINC000131419842 346065154 /nfs/dbraw/zinc/06/51/54/346065154.db2.gz KUEPCNTYVIPJAU-UHFFFAOYSA-N 1 2 258.184 3.015 20 30 CGEDLO C=C(Br)C[N@H+]1CCc2sccc2C1 ZINC000131419842 346065157 /nfs/dbraw/zinc/06/51/57/346065157.db2.gz KUEPCNTYVIPJAU-UHFFFAOYSA-N 1 2 258.184 3.015 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000153682348 346145925 /nfs/dbraw/zinc/14/59/25/346145925.db2.gz PPQNVIWBUCXXHT-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000153682348 346145926 /nfs/dbraw/zinc/14/59/26/346145926.db2.gz PPQNVIWBUCXXHT-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C(=O)NC[C@@H](C)C#N)cc1Oc1cc[nH+]cc1 ZINC000172220014 346217093 /nfs/dbraw/zinc/21/70/93/346217093.db2.gz CNQRWWUIYGUYIT-LBPRGKRZSA-N 1 2 295.342 3.072 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)oc1C ZINC000223732026 346301390 /nfs/dbraw/zinc/30/13/90/346301390.db2.gz KWNFXJSGXNGWHC-NSHDSACASA-N 1 2 255.321 3.014 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1csc(Br)c1 ZINC000309553587 346469639 /nfs/dbraw/zinc/46/96/39/346469639.db2.gz LJKFVBUUUKTYTC-VIFPVBQESA-N 1 2 298.209 3.044 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000593568512 347091953 /nfs/dbraw/zinc/09/19/53/347091953.db2.gz IRSGCFLFDSVOCA-AWEZNQCLSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000593568512 347091956 /nfs/dbraw/zinc/09/19/56/347091956.db2.gz IRSGCFLFDSVOCA-AWEZNQCLSA-N 1 2 282.391 3.081 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@H](CC)CO1 ZINC000403876342 346598328 /nfs/dbraw/zinc/59/83/28/346598328.db2.gz MPIICFFNUUADFG-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@H](CC)CO1 ZINC000403876342 346598329 /nfs/dbraw/zinc/59/83/29/346598329.db2.gz MPIICFFNUUADFG-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1c[nH+]c(CCNc2ncc(C#N)cc2Cl)c(C)c1 ZINC000594596151 347198444 /nfs/dbraw/zinc/19/84/44/347198444.db2.gz NPZYVINOMHMKBC-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO CN(C(=O)CCCCC#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000594365174 347171952 /nfs/dbraw/zinc/17/19/52/347171952.db2.gz WOGUTUHNGNPTJJ-MRXNPFEDSA-N 1 2 296.374 3.041 20 30 CGEDLO Cn1c2ccccc2nc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981222 347247935 /nfs/dbraw/zinc/24/79/35/347247935.db2.gz LFOYEKMTTLBBHR-UHFFFAOYSA-N 1 2 282.391 3.137 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccc(F)cc1F ZINC000595302222 347289051 /nfs/dbraw/zinc/28/90/51/347289051.db2.gz UAAFMYRNXNHCSW-SNVBAGLBSA-N 1 2 270.348 3.148 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccc(F)cc1F ZINC000595302222 347289054 /nfs/dbraw/zinc/28/90/54/347289054.db2.gz UAAFMYRNXNHCSW-SNVBAGLBSA-N 1 2 270.348 3.148 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cccc(C(C)C)c1 ZINC000595332248 347293257 /nfs/dbraw/zinc/29/32/57/347293257.db2.gz HOOGTERDYLQMIP-UHFFFAOYSA-N 1 2 260.381 3.172 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cccc(C(C)C)c1 ZINC000595332248 347293259 /nfs/dbraw/zinc/29/32/59/347293259.db2.gz HOOGTERDYLQMIP-UHFFFAOYSA-N 1 2 260.381 3.172 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000595426123 347301501 /nfs/dbraw/zinc/30/15/01/347301501.db2.gz NAJJOJTXQZNRJB-MRXNPFEDSA-N 1 2 285.416 3.464 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000595426123 347301503 /nfs/dbraw/zinc/30/15/03/347301503.db2.gz NAJJOJTXQZNRJB-MRXNPFEDSA-N 1 2 285.416 3.464 20 30 CGEDLO CS[C@@H]1CCCC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595388030 347297414 /nfs/dbraw/zinc/29/74/14/347297414.db2.gz SNXMDXDTQBGFCR-HUUCEWRRSA-N 1 2 260.406 3.469 20 30 CGEDLO CS[C@@H]1CCCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595388030 347297416 /nfs/dbraw/zinc/29/74/16/347297416.db2.gz SNXMDXDTQBGFCR-HUUCEWRRSA-N 1 2 260.406 3.469 20 30 CGEDLO CCn1ccnc1[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091955 347280911 /nfs/dbraw/zinc/28/09/11/347280911.db2.gz UAGHHPQJYAFAML-CYBMUJFWSA-N 1 2 260.385 3.028 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000595616554 347328398 /nfs/dbraw/zinc/32/83/98/347328398.db2.gz UVCQDRFADBIJAS-LLVKDONJSA-N 1 2 273.311 3.093 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000595616554 347328402 /nfs/dbraw/zinc/32/84/02/347328402.db2.gz UVCQDRFADBIJAS-LLVKDONJSA-N 1 2 273.311 3.093 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595759174 347351982 /nfs/dbraw/zinc/35/19/82/347351982.db2.gz IOUHJDNVAWRRMO-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595759174 347351985 /nfs/dbraw/zinc/35/19/85/347351985.db2.gz IOUHJDNVAWRRMO-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000595549467 347317889 /nfs/dbraw/zinc/31/78/89/347317889.db2.gz KDKUPVQBKZXSRS-NSHDSACASA-N 1 2 269.348 3.356 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000595549467 347317892 /nfs/dbraw/zinc/31/78/92/347317892.db2.gz KDKUPVQBKZXSRS-NSHDSACASA-N 1 2 269.348 3.356 20 30 CGEDLO C[C@@H]1CC2(C[N@@H+]1[C@@H](C#N)c1ccccc1)CCOCC2 ZINC000595557572 347319207 /nfs/dbraw/zinc/31/92/07/347319207.db2.gz KPAYAQCHTQKUKH-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1CC2(C[N@H+]1[C@@H](C#N)c1ccccc1)CCOCC2 ZINC000595557572 347319208 /nfs/dbraw/zinc/31/92/08/347319208.db2.gz KPAYAQCHTQKUKH-ZBFHGGJFSA-N 1 2 270.376 3.142 20 30 CGEDLO Cc1[nH+]c2cc(OCCC(C)(C)C#N)ccc2n1C ZINC000596286625 347410945 /nfs/dbraw/zinc/41/09/45/347410945.db2.gz UZMUMZCWHVGRTN-UHFFFAOYSA-N 1 2 257.337 3.200 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OC(F)F ZINC000595836377 347364274 /nfs/dbraw/zinc/36/42/74/347364274.db2.gz YTIFSWKXCYBWSE-HNNXBMFYSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OC(F)F ZINC000595836377 347364276 /nfs/dbraw/zinc/36/42/76/347364276.db2.gz YTIFSWKXCYBWSE-HNNXBMFYSA-N 1 2 296.317 3.032 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(Br)c1 ZINC000595841586 347365236 /nfs/dbraw/zinc/36/52/36/347365236.db2.gz MLUOTLPUHXFXJD-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(Br)c1 ZINC000595841586 347365237 /nfs/dbraw/zinc/36/52/37/347365237.db2.gz MLUOTLPUHXFXJD-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(Br)c1 ZINC000595841585 347365330 /nfs/dbraw/zinc/36/53/30/347365330.db2.gz MLUOTLPUHXFXJD-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(Br)c1 ZINC000595841585 347365332 /nfs/dbraw/zinc/36/53/32/347365332.db2.gz MLUOTLPUHXFXJD-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842349 347366693 /nfs/dbraw/zinc/36/66/93/347366693.db2.gz QVKLWWVVRGGENL-MRXNPFEDSA-N 1 2 257.381 3.249 20 30 CGEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842349 347366695 /nfs/dbraw/zinc/36/66/95/347366695.db2.gz QVKLWWVVRGGENL-MRXNPFEDSA-N 1 2 257.381 3.249 20 30 CGEDLO Cc1cc(Br)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844815 347367136 /nfs/dbraw/zinc/36/71/36/347367136.db2.gz WCLHMNQTGFEHKR-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1cc(Br)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844815 347367139 /nfs/dbraw/zinc/36/71/39/347367139.db2.gz WCLHMNQTGFEHKR-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000595923250 347372493 /nfs/dbraw/zinc/37/24/93/347372493.db2.gz WWBBATCHZIAMQM-BLLLJJGKSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1C#N ZINC000595923250 347372496 /nfs/dbraw/zinc/37/24/96/347372496.db2.gz WWBBATCHZIAMQM-BLLLJJGKSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1cc(N2CC[C@](C)(C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000596529613 347474946 /nfs/dbraw/zinc/47/49/46/347474946.db2.gz GFTCSJPLKIOQDP-MRXNPFEDSA-N 1 2 269.323 3.422 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000597173512 347543313 /nfs/dbraw/zinc/54/33/13/347543313.db2.gz JNDDLRZQBUGCTE-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000597173512 347543315 /nfs/dbraw/zinc/54/33/15/347543315.db2.gz JNDDLRZQBUGCTE-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO C[C@H](CC#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000596688886 347501015 /nfs/dbraw/zinc/50/10/15/347501015.db2.gz GGUDIWRXOYDCEB-SNVBAGLBSA-N 1 2 284.363 3.349 20 30 CGEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)c(Br)c1 ZINC000597194144 347548462 /nfs/dbraw/zinc/54/84/62/347548462.db2.gz OYUHYEBNLJUGON-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO CC[N@@H+](Cc1cc(C)c(Br)cn1)C[C@@H](C)C#N ZINC000600112331 347781430 /nfs/dbraw/zinc/78/14/30/347781430.db2.gz JSJIKEUYXIBTPW-JTQLQIEISA-N 1 2 296.212 3.134 20 30 CGEDLO CC[N@H+](Cc1cc(C)c(Br)cn1)C[C@@H](C)C#N ZINC000600112331 347781432 /nfs/dbraw/zinc/78/14/32/347781432.db2.gz JSJIKEUYXIBTPW-JTQLQIEISA-N 1 2 296.212 3.134 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000599642034 347761439 /nfs/dbraw/zinc/76/14/39/347761439.db2.gz BKTZDWFPDQGDBV-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000599642034 347761442 /nfs/dbraw/zinc/76/14/42/347761442.db2.gz BKTZDWFPDQGDBV-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO CCc1cnc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600212903 347793741 /nfs/dbraw/zinc/79/37/41/347793741.db2.gz KSSNGINKVZSBPH-UHFFFAOYSA-N 1 2 297.427 3.330 20 30 CGEDLO CCc1cnc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600212903 347793744 /nfs/dbraw/zinc/79/37/44/347793744.db2.gz KSSNGINKVZSBPH-UHFFFAOYSA-N 1 2 297.427 3.330 20 30 CGEDLO CN(C)c1c(F)c(F)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000600167557 347787573 /nfs/dbraw/zinc/78/75/73/347787573.db2.gz HCFSNBPQLDJHTN-UHFFFAOYSA-N 1 2 281.350 3.012 20 30 CGEDLO CN(C)c1c(F)c(F)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000600167557 347787577 /nfs/dbraw/zinc/78/75/77/347787577.db2.gz HCFSNBPQLDJHTN-UHFFFAOYSA-N 1 2 281.350 3.012 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602439928 347957997 /nfs/dbraw/zinc/95/79/97/347957997.db2.gz RKWJTAHBXGWEMX-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602439928 347957998 /nfs/dbraw/zinc/95/79/98/347957998.db2.gz RKWJTAHBXGWEMX-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO Cc1ccc(C[N@H+](Cc2cccc(C#N)n2)C2CC2)o1 ZINC000602442360 347958902 /nfs/dbraw/zinc/95/89/02/347958902.db2.gz XHZVRCCIWMLZEP-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1ccc(C[N@@H+](Cc2cccc(C#N)n2)C2CC2)o1 ZINC000602442360 347958904 /nfs/dbraw/zinc/95/89/04/347958904.db2.gz XHZVRCCIWMLZEP-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(F)c1N ZINC000602465225 347962987 /nfs/dbraw/zinc/96/29/87/347962987.db2.gz LGKPXHIODPKDIM-UHFFFAOYSA-N 1 2 263.360 3.170 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(F)c1N ZINC000602465225 347962988 /nfs/dbraw/zinc/96/29/88/347962988.db2.gz LGKPXHIODPKDIM-UHFFFAOYSA-N 1 2 263.360 3.170 20 30 CGEDLO C[C@@H](CCC#N)CNc1ccccc1OCCn1cc[nH+]c1 ZINC000602490554 347968668 /nfs/dbraw/zinc/96/86/68/347968668.db2.gz CGIBNESEOYVYRL-HNNXBMFYSA-N 1 2 298.390 3.314 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(=O)OC ZINC000602733491 348020971 /nfs/dbraw/zinc/02/09/71/348020971.db2.gz IOGHXOQLGAOYSK-RWMBFGLXSA-N 1 2 285.453 3.004 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1ccsc1)C(=O)OC ZINC000602733003 348021162 /nfs/dbraw/zinc/02/11/62/348021162.db2.gz GIFRSESJDUIBIJ-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO N#Cc1cccc(OC2CCN(c3cc[nH+]cc3F)CC2)c1 ZINC000603288649 348068384 /nfs/dbraw/zinc/06/83/84/348068384.db2.gz SDIQIXLPBJIVOK-UHFFFAOYSA-N 1 2 297.333 3.140 20 30 CGEDLO CCC(F)(F)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906061 348042465 /nfs/dbraw/zinc/04/24/65/348042465.db2.gz ICEPATSPWFCKGT-UHFFFAOYSA-N 1 2 279.334 3.178 20 30 CGEDLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000602939746 348046254 /nfs/dbraw/zinc/04/62/54/348046254.db2.gz CILVOXDDBUBLPB-UHFFFAOYSA-N 1 2 282.391 3.151 20 30 CGEDLO Cc1[nH]ncc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000602939746 348046256 /nfs/dbraw/zinc/04/62/56/348046256.db2.gz CILVOXDDBUBLPB-UHFFFAOYSA-N 1 2 282.391 3.151 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602974021 348047807 /nfs/dbraw/zinc/04/78/07/348047807.db2.gz IVSVHBLMEPQBFG-WMLDXEAASA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H]1CCC[C@H]1C#N ZINC000602974021 348047808 /nfs/dbraw/zinc/04/78/08/348047808.db2.gz IVSVHBLMEPQBFG-WMLDXEAASA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCC[C@H]1C#N ZINC000602976124 348048612 /nfs/dbraw/zinc/04/86/12/348048612.db2.gz LFXNFBRIEJOVLH-AAEUAGOBSA-N 1 2 271.389 3.420 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCC[C@H]1C#N ZINC000602976124 348048615 /nfs/dbraw/zinc/04/86/15/348048615.db2.gz LFXNFBRIEJOVLH-AAEUAGOBSA-N 1 2 271.389 3.420 20 30 CGEDLO C=CCOc1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000608094326 348285772 /nfs/dbraw/zinc/28/57/72/348285772.db2.gz VZAJJSWWYLRURE-UHFFFAOYSA-N 1 2 294.314 3.019 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000609486125 348345109 /nfs/dbraw/zinc/34/51/09/348345109.db2.gz DHXYHCNZZHTEKS-RHSMWYFYSA-N 1 2 289.398 3.052 20 30 CGEDLO Cc1cc(C)cc(OCC[N@H+](CC#N)C2CCCC2)c1 ZINC000610003152 348359852 /nfs/dbraw/zinc/35/98/52/348359852.db2.gz QCXSTXVUSLFEDL-UHFFFAOYSA-N 1 2 272.392 3.450 20 30 CGEDLO Cc1cc(C)cc(OCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000610003152 348359855 /nfs/dbraw/zinc/35/98/55/348359855.db2.gz QCXSTXVUSLFEDL-UHFFFAOYSA-N 1 2 272.392 3.450 20 30 CGEDLO CCc1cc(N[C@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000610969438 348413277 /nfs/dbraw/zinc/41/32/77/348413277.db2.gz HSPFBVRMCQKOMA-OAHLLOKOSA-N 1 2 266.348 3.496 20 30 CGEDLO COc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)[nH+]c1 ZINC000611588541 348462803 /nfs/dbraw/zinc/46/28/03/348462803.db2.gz FDDRVUMZZDMGNS-JTQLQIEISA-N 1 2 271.295 3.274 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161380 348497848 /nfs/dbraw/zinc/49/78/48/348497848.db2.gz DBGLYRZTBQASOG-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1ccc(C)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161380 348497850 /nfs/dbraw/zinc/49/78/50/348497850.db2.gz DBGLYRZTBQASOG-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612406629 348517619 /nfs/dbraw/zinc/51/76/19/348517619.db2.gz QRULMTTVSXBTJH-KRWDZBQOSA-N 1 2 288.391 3.138 20 30 CGEDLO COc1cc(C)c(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612406629 348517620 /nfs/dbraw/zinc/51/76/20/348517620.db2.gz QRULMTTVSXBTJH-KRWDZBQOSA-N 1 2 288.391 3.138 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000614159453 348653796 /nfs/dbraw/zinc/65/37/96/348653796.db2.gz AIUVJPNXHWKOMQ-UHFFFAOYSA-N 1 2 283.375 3.416 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000614159453 348653797 /nfs/dbraw/zinc/65/37/97/348653797.db2.gz AIUVJPNXHWKOMQ-UHFFFAOYSA-N 1 2 283.375 3.416 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1F ZINC000615230170 348724883 /nfs/dbraw/zinc/72/48/83/348724883.db2.gz BTOMJRMUANQYGJ-IINYFYTJSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1F ZINC000615230170 348724886 /nfs/dbraw/zinc/72/48/86/348724886.db2.gz BTOMJRMUANQYGJ-IINYFYTJSA-N 1 2 266.747 3.392 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000618608122 349121936 /nfs/dbraw/zinc/12/19/36/349121936.db2.gz HREGRNSUDHPPKF-SQWLQELKSA-N 1 2 275.392 3.481 20 30 CGEDLO C=C[C@H]([NH2+][C@H](CCC)CCc1ccccc1)C(=O)OC ZINC000619702076 349276695 /nfs/dbraw/zinc/27/66/95/349276695.db2.gz FMTYJVJMXSTZNI-CVEARBPZSA-N 1 2 275.392 3.105 20 30 CGEDLO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)c(Cl)cc1C#N ZINC000359835551 233382163 /nfs/dbraw/zinc/38/21/63/233382163.db2.gz FITQGSJGASHOIK-UHFFFAOYSA-N 1 2 287.754 3.120 20 30 CGEDLO C=C1CC(C)(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000630854652 350900186 /nfs/dbraw/zinc/90/01/86/350900186.db2.gz LSMRGSKMJFKAGB-UHFFFAOYSA-N 1 2 288.391 3.022 20 30 CGEDLO C=CCC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC000636205534 351729688 /nfs/dbraw/zinc/72/96/88/351729688.db2.gz WKTBVXXMMIQYCS-OAHLLOKOSA-N 1 2 289.423 3.475 20 30 CGEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000336491965 213364829 /nfs/dbraw/zinc/36/48/29/213364829.db2.gz CIRLTLAWWJGYNO-NHYWBVRUSA-N 1 2 269.373 3.208 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000336491965 213364832 /nfs/dbraw/zinc/36/48/32/213364832.db2.gz CIRLTLAWWJGYNO-NHYWBVRUSA-N 1 2 269.373 3.208 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000335180220 283075185 /nfs/dbraw/zinc/07/51/85/283075185.db2.gz ZVICDAUAGNIUNY-MAUKXSAKSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000335180220 283075187 /nfs/dbraw/zinc/07/51/87/283075187.db2.gz ZVICDAUAGNIUNY-MAUKXSAKSA-N 1 2 296.345 3.005 20 30 CGEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)o1)c1nc(C)cs1 ZINC000174502284 188901966 /nfs/dbraw/zinc/90/19/66/188901966.db2.gz HHCIGJQRHNLHKC-AWEZNQCLSA-N 1 2 275.377 3.331 20 30 CGEDLO CCc1nc(C[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000105642541 138353171 /nfs/dbraw/zinc/35/31/71/138353171.db2.gz DQORFRXRZOFFSG-UHFFFAOYSA-N 1 2 275.352 3.006 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000124776390 138377369 /nfs/dbraw/zinc/37/73/69/138377369.db2.gz NJGSFYDYNXSCTQ-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000124776390 138377370 /nfs/dbraw/zinc/37/73/70/138377370.db2.gz NJGSFYDYNXSCTQ-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO Cc1sc(CNc2cc(C)[nH+]cc2C#N)nc1C(C)C ZINC000425223764 236221144 /nfs/dbraw/zinc/22/11/44/236221144.db2.gz IPXKCSLELXOKFE-UHFFFAOYSA-N 1 2 286.404 3.184 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425267433 236225677 /nfs/dbraw/zinc/22/56/77/236225677.db2.gz LQIXPGPJJIRRGR-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000425367532 236239189 /nfs/dbraw/zinc/23/91/89/236239189.db2.gz UABXAAHGQZVYOJ-CYBMUJFWSA-N 1 2 297.406 3.098 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000425367532 236239192 /nfs/dbraw/zinc/23/91/92/236239192.db2.gz UABXAAHGQZVYOJ-CYBMUJFWSA-N 1 2 297.406 3.098 20 30 CGEDLO Cc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000336230200 213059681 /nfs/dbraw/zinc/05/96/81/213059681.db2.gz BTCHVXWHKNCROW-UHFFFAOYSA-N 1 2 266.304 3.214 20 30 CGEDLO C[N@H+](Cc1nc2cccnc2s1)Cc1cccc(C#N)c1 ZINC000341586350 216023218 /nfs/dbraw/zinc/02/32/18/216023218.db2.gz ONYYUAMPMXDATG-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C[N@@H+](Cc1nc2cccnc2s1)Cc1cccc(C#N)c1 ZINC000341586350 216023220 /nfs/dbraw/zinc/02/32/20/216023220.db2.gz ONYYUAMPMXDATG-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO CCC[N@H+](Cc1cc(COC)on1)Cc1ccc(C#N)cc1 ZINC000297626848 200246509 /nfs/dbraw/zinc/24/65/09/200246509.db2.gz HNENAHQVKFBNRL-UHFFFAOYSA-N 1 2 299.374 3.105 20 30 CGEDLO CCC[N@@H+](Cc1cc(COC)on1)Cc1ccc(C#N)cc1 ZINC000297626848 200246510 /nfs/dbraw/zinc/24/65/10/200246510.db2.gz HNENAHQVKFBNRL-UHFFFAOYSA-N 1 2 299.374 3.105 20 30 CGEDLO C#CCCCCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000179749217 189218406 /nfs/dbraw/zinc/21/84/06/189218406.db2.gz DEUQTZRVUCWJHQ-UHFFFAOYSA-N 1 2 297.402 3.045 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1[N+](=O)[O-] ZINC000342288904 216293446 /nfs/dbraw/zinc/29/34/46/216293446.db2.gz AKWCGPDOLDRBHV-NSHDSACASA-N 1 2 299.305 3.456 20 30 CGEDLO N#CCCCC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120255104 370753594 /nfs/dbraw/zinc/75/35/94/370753594.db2.gz QCMKATMBIPYFQL-OAHLLOKOSA-N 1 2 295.390 3.302 20 30 CGEDLO N#CCCCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120255104 370753596 /nfs/dbraw/zinc/75/35/96/370753596.db2.gz QCMKATMBIPYFQL-OAHLLOKOSA-N 1 2 295.390 3.302 20 30 CGEDLO N#CCCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120255104 370753605 /nfs/dbraw/zinc/75/36/05/370753605.db2.gz QCMKATMBIPYFQL-OAHLLOKOSA-N 1 2 295.390 3.302 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000121433321 370861001 /nfs/dbraw/zinc/86/10/01/370861001.db2.gz LIBITZYQZPEXDP-UHFFFAOYSA-N 1 2 251.280 3.049 20 30 CGEDLO C=CC[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000121433321 370861006 /nfs/dbraw/zinc/86/10/06/370861006.db2.gz LIBITZYQZPEXDP-UHFFFAOYSA-N 1 2 251.280 3.049 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000296125306 291399044 /nfs/dbraw/zinc/39/90/44/291399044.db2.gz UBCNMYWQCCCCPP-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000296125306 291399046 /nfs/dbraw/zinc/39/90/46/291399046.db2.gz UBCNMYWQCCCCPP-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC=C ZINC000121511712 370867436 /nfs/dbraw/zinc/86/74/36/370867436.db2.gz OPBPESMXARBNII-UHFFFAOYSA-N 1 2 276.405 3.021 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC=C ZINC000121511712 370867440 /nfs/dbraw/zinc/86/74/40/370867440.db2.gz OPBPESMXARBNII-UHFFFAOYSA-N 1 2 276.405 3.021 20 30 CGEDLO C[C@@H]1CCc2nc(C[NH+]3CCC(C#N)CC3)sc2C1 ZINC000123718448 370914722 /nfs/dbraw/zinc/91/47/22/370914722.db2.gz SZVVGPQBLYXKHW-LLVKDONJSA-N 1 2 275.421 3.003 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126040696 370942776 /nfs/dbraw/zinc/94/27/76/370942776.db2.gz UNHSXJXFQJGWHZ-CYBMUJFWSA-N 1 2 279.181 3.500 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126040696 370942779 /nfs/dbraw/zinc/94/27/79/370942779.db2.gz UNHSXJXFQJGWHZ-CYBMUJFWSA-N 1 2 279.181 3.500 20 30 CGEDLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccco2)cs1 ZINC000051087203 369446647 /nfs/dbraw/zinc/44/66/47/369446647.db2.gz CBJDVBVAWCNFIN-UHFFFAOYSA-N 1 2 291.376 3.477 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OC(F)F)c1 ZINC000127634844 370954532 /nfs/dbraw/zinc/95/45/32/370954532.db2.gz MUXGXEZAYGSFJB-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OC(F)F)c1 ZINC000127634844 370954536 /nfs/dbraw/zinc/95/45/36/370954536.db2.gz MUXGXEZAYGSFJB-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@H]2CCOC3(CCCC3)C2)c1 ZINC000128486013 370964241 /nfs/dbraw/zinc/96/42/41/370964241.db2.gz PIZKTACRHSDRJB-QCUKBLKESA-N 1 2 289.375 3.312 20 30 CGEDLO C=CCNC(=O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000059421203 369580966 /nfs/dbraw/zinc/58/09/66/369580966.db2.gz AQQHCAGXDKDXIX-LBPRGKRZSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCNC(=O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000059421203 369580969 /nfs/dbraw/zinc/58/09/69/369580969.db2.gz AQQHCAGXDKDXIX-LBPRGKRZSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(CCC)no1 ZINC000062364377 369624966 /nfs/dbraw/zinc/62/49/66/369624966.db2.gz IFQJYPVUQPRZIE-UHFFFAOYSA-N 1 2 285.391 3.253 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(CCC)no1 ZINC000062364377 369624971 /nfs/dbraw/zinc/62/49/71/369624971.db2.gz IFQJYPVUQPRZIE-UHFFFAOYSA-N 1 2 285.391 3.253 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C[C@@H](C)C#N ZINC000091982387 370083326 /nfs/dbraw/zinc/08/33/26/370083326.db2.gz SPQLPGZNUOPDLE-STQMWFEESA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C[C@@H](C)C#N ZINC000091982387 370083331 /nfs/dbraw/zinc/08/33/31/370083331.db2.gz SPQLPGZNUOPDLE-STQMWFEESA-N 1 2 288.391 3.000 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OCC(C)C ZINC000093090395 370108095 /nfs/dbraw/zinc/10/80/95/370108095.db2.gz SLFGZLXDZYAMJV-AWEZNQCLSA-N 1 2 290.407 3.464 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCC(C)C ZINC000093090395 370108098 /nfs/dbraw/zinc/10/80/98/370108098.db2.gz SLFGZLXDZYAMJV-AWEZNQCLSA-N 1 2 290.407 3.464 20 30 CGEDLO Cc1cc(C)n2c(C[N@@H+](CCC#N)CCC(C)C)cnc2n1 ZINC000093100865 370109506 /nfs/dbraw/zinc/10/95/06/370109506.db2.gz PZIZNHNJGVTCBZ-UHFFFAOYSA-N 1 2 299.422 3.108 20 30 CGEDLO Cc1cc(C)n2c(C[N@H+](CCC#N)CCC(C)C)cnc2n1 ZINC000093100865 370109509 /nfs/dbraw/zinc/10/95/09/370109509.db2.gz PZIZNHNJGVTCBZ-UHFFFAOYSA-N 1 2 299.422 3.108 20 30 CGEDLO CCc1nn(C)c(CC)c1C[N@H+](CCC#N)CCC(C)C ZINC000093100967 370109555 /nfs/dbraw/zinc/10/95/55/370109555.db2.gz QLDUHHUDLLXSGH-UHFFFAOYSA-N 1 2 290.455 3.307 20 30 CGEDLO CCc1nn(C)c(CC)c1C[N@@H+](CCC#N)CCC(C)C ZINC000093100967 370109557 /nfs/dbraw/zinc/10/95/57/370109557.db2.gz QLDUHHUDLLXSGH-UHFFFAOYSA-N 1 2 290.455 3.307 20 30 CGEDLO N#CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000108361814 370357738 /nfs/dbraw/zinc/35/77/38/370357738.db2.gz XNFVQQDMKCPRIO-UHFFFAOYSA-N 1 2 273.361 3.139 20 30 CGEDLO C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112635458 370438375 /nfs/dbraw/zinc/43/83/75/370438375.db2.gz VKZQEDHGRBQQRT-CYBMUJFWSA-N 1 2 295.342 3.248 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCc2ccsc2C1 ZINC000132796084 371202981 /nfs/dbraw/zinc/20/29/81/371202981.db2.gz OXEOQOOYYGMZER-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCc2ccsc2C1 ZINC000132796084 371202986 /nfs/dbraw/zinc/20/29/86/371202986.db2.gz OXEOQOOYYGMZER-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000132801049 371203802 /nfs/dbraw/zinc/20/38/02/371203802.db2.gz SIZMIKZRBHCDDH-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCc2ccsc2C1 ZINC000132801049 371203809 /nfs/dbraw/zinc/20/38/09/371203809.db2.gz SIZMIKZRBHCDDH-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000344067043 217034900 /nfs/dbraw/zinc/03/49/00/217034900.db2.gz FNLVKYAMGYSZQB-LLVKDONJSA-N 1 2 286.404 3.384 20 30 CGEDLO CCCCCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000158626291 372075683 /nfs/dbraw/zinc/07/56/83/372075683.db2.gz JFGYHINYMPMKKN-HNNXBMFYSA-N 1 2 291.439 3.312 20 30 CGEDLO C=CCCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425285732 372119899 /nfs/dbraw/zinc/11/98/99/372119899.db2.gz SPWBQOCOAIYWSH-OAHLLOKOSA-N 1 2 283.375 3.014 20 30 CGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367567 372154328 /nfs/dbraw/zinc/15/43/28/372154328.db2.gz XRDXAYKPBMEFNH-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426367567 372154334 /nfs/dbraw/zinc/15/43/34/372154334.db2.gz XRDXAYKPBMEFNH-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)o1 ZINC000428481066 372221415 /nfs/dbraw/zinc/22/14/15/372221415.db2.gz DDFLVHNFPIGDLO-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)o1 ZINC000428481066 372221418 /nfs/dbraw/zinc/22/14/18/372221418.db2.gz DDFLVHNFPIGDLO-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccncc1F ZINC000428958921 372291188 /nfs/dbraw/zinc/29/11/88/372291188.db2.gz FGSRKBHLQGWLQD-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000293084846 372295821 /nfs/dbraw/zinc/29/58/21/372295821.db2.gz JZVJKDVGPSHTRG-JTQLQIEISA-N 1 2 289.404 3.030 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000293084846 372295824 /nfs/dbraw/zinc/29/58/24/372295824.db2.gz JZVJKDVGPSHTRG-JTQLQIEISA-N 1 2 289.404 3.030 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000293043976 372287969 /nfs/dbraw/zinc/28/79/69/372287969.db2.gz HGPDQYSOHYKRMH-CQSZACIVSA-N 1 2 272.392 3.092 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000293043976 372287973 /nfs/dbraw/zinc/28/79/73/372287973.db2.gz HGPDQYSOHYKRMH-CQSZACIVSA-N 1 2 272.392 3.092 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000430097967 372384927 /nfs/dbraw/zinc/38/49/27/372384927.db2.gz RIKUHLACBGCKCP-UHFFFAOYSA-N 1 2 284.281 3.487 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000430097967 372384938 /nfs/dbraw/zinc/38/49/38/372384938.db2.gz RIKUHLACBGCKCP-UHFFFAOYSA-N 1 2 284.281 3.487 20 30 CGEDLO C=CC[N@@H+](Cc1conc1C)Cc1ccccc1F ZINC000295064487 372690229 /nfs/dbraw/zinc/69/02/29/372690229.db2.gz AFTOQKRULONSJL-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO C=CC[N@H+](Cc1conc1C)Cc1ccccc1F ZINC000295064487 372690238 /nfs/dbraw/zinc/69/02/38/372690238.db2.gz AFTOQKRULONSJL-UHFFFAOYSA-N 1 2 260.312 3.310 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCc2sccc2C1 ZINC000171375347 372745341 /nfs/dbraw/zinc/74/53/41/372745341.db2.gz SSDJSGQGKBBGAI-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCc2sccc2C1 ZINC000171375347 372745348 /nfs/dbraw/zinc/74/53/48/372745348.db2.gz SSDJSGQGKBBGAI-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000295370327 372753750 /nfs/dbraw/zinc/75/37/50/372753750.db2.gz JUGMNCIOLQLUBR-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000295370327 372753753 /nfs/dbraw/zinc/75/37/53/372753753.db2.gz JUGMNCIOLQLUBR-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(NCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000438314137 372924308 /nfs/dbraw/zinc/92/43/08/372924308.db2.gz HBOVRKDRNGAOKR-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000441051180 372995272 /nfs/dbraw/zinc/99/52/72/372995272.db2.gz DQUDBAWZYOZIMU-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000441051180 372995279 /nfs/dbraw/zinc/99/52/79/372995279.db2.gz DQUDBAWZYOZIMU-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO CC(C)(C)c1csc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000174359153 373299580 /nfs/dbraw/zinc/29/95/80/373299580.db2.gz HVMBWOXXIYSLSX-UHFFFAOYSA-N 1 2 275.377 3.195 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174961735 373388286 /nfs/dbraw/zinc/38/82/86/373388286.db2.gz TYTXZIJLDMRCGG-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174961735 373388295 /nfs/dbraw/zinc/38/82/95/373388295.db2.gz TYTXZIJLDMRCGG-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000175519736 373478882 /nfs/dbraw/zinc/47/88/82/373478882.db2.gz JASJDPQWQPIWKY-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000175519736 373478886 /nfs/dbraw/zinc/47/88/86/373478886.db2.gz JASJDPQWQPIWKY-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccncc1F ZINC000449020744 373656912 /nfs/dbraw/zinc/65/69/12/373656912.db2.gz AGXWAZDUOXZJLT-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccncc1F ZINC000449020744 373656926 /nfs/dbraw/zinc/65/69/26/373656926.db2.gz AGXWAZDUOXZJLT-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CC(C)c1nc(NCc2ccc(C#N)cc2F)cc[nH+]1 ZINC000301278770 373727380 /nfs/dbraw/zinc/72/73/80/373727380.db2.gz SSISANIRYRSARY-UHFFFAOYSA-N 1 2 270.311 3.223 20 30 CGEDLO Cc1cc(C#N)cc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000449760331 373888208 /nfs/dbraw/zinc/88/82/08/373888208.db2.gz NSCOEXDVKPMBOI-UHFFFAOYSA-N 1 2 292.386 3.474 20 30 CGEDLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000180412301 373998974 /nfs/dbraw/zinc/99/89/74/373998974.db2.gz WBRQLABWQKHQEU-LBPRGKRZSA-N 1 2 295.390 3.137 20 30 CGEDLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000180412301 373998980 /nfs/dbraw/zinc/99/89/80/373998980.db2.gz WBRQLABWQKHQEU-LBPRGKRZSA-N 1 2 295.390 3.137 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000180862344 374055485 /nfs/dbraw/zinc/05/54/85/374055485.db2.gz CBHWAQYEPBROIH-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180862344 374055489 /nfs/dbraw/zinc/05/54/89/374055489.db2.gz CBHWAQYEPBROIH-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO CCC[N@H+](CC1(C#N)CCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000450530774 374158851 /nfs/dbraw/zinc/15/88/51/374158851.db2.gz FBGLCPWPGYRIJP-OAHLLOKOSA-N 1 2 299.418 3.419 20 30 CGEDLO CCC[N@@H+](CC1(C#N)CCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000450530774 374158855 /nfs/dbraw/zinc/15/88/55/374158855.db2.gz FBGLCPWPGYRIJP-OAHLLOKOSA-N 1 2 299.418 3.419 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000450763150 374178457 /nfs/dbraw/zinc/17/84/57/374178457.db2.gz VMBVTFMEOUTFTM-HIFRSBDPSA-N 1 2 272.323 3.438 20 30 CGEDLO N#Cc1cnc2ccccc2c1NCCCCn1cc[nH+]c1 ZINC000315165138 374327095 /nfs/dbraw/zinc/32/70/95/374327095.db2.gz VQXCHKQXZRJORP-UHFFFAOYSA-N 1 2 291.358 3.195 20 30 CGEDLO C[C@@H]1C[C@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC1=O ZINC000328946434 374396615 /nfs/dbraw/zinc/39/66/15/374396615.db2.gz VKHHRUCXVCGMEE-CHWSQXEVSA-N 1 2 297.358 3.466 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000328944012 374397084 /nfs/dbraw/zinc/39/70/84/374397084.db2.gz LRKQNNUQAQKFGG-HZSPNIEDSA-N 1 2 287.407 3.440 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000328944012 374397092 /nfs/dbraw/zinc/39/70/92/374397092.db2.gz LRKQNNUQAQKFGG-HZSPNIEDSA-N 1 2 287.407 3.440 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nccs1 ZINC000185050017 374581462 /nfs/dbraw/zinc/58/14/62/374581462.db2.gz AZEKVROCGXKDBL-CYBMUJFWSA-N 1 2 287.388 3.264 20 30 CGEDLO CC#CCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185381378 374652893 /nfs/dbraw/zinc/65/28/93/374652893.db2.gz AAWHBSLDCMJPQN-UHFFFAOYSA-N 1 2 267.332 3.004 20 30 CGEDLO CCOc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1CO ZINC000185741034 374728711 /nfs/dbraw/zinc/72/87/11/374728711.db2.gz URMPXPRXPBOHNT-TZMCWYRMSA-N 1 2 274.364 3.072 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H](C2CC2)O1 ZINC000470920995 375001320 /nfs/dbraw/zinc/00/13/20/375001320.db2.gz AOKYCUNMNZSHFB-CXAGYDPISA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H](C2CC2)O1 ZINC000470920995 375001323 /nfs/dbraw/zinc/00/13/23/375001323.db2.gz AOKYCUNMNZSHFB-CXAGYDPISA-N 1 2 289.806 3.191 20 30 CGEDLO C=CC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000467212984 374972961 /nfs/dbraw/zinc/97/29/61/374972961.db2.gz BDGKKVZHUOLGFK-UHFFFAOYSA-N 1 2 271.191 3.301 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1C(F)F ZINC000188463759 375218479 /nfs/dbraw/zinc/21/84/79/375218479.db2.gz JIWBZVHCRBWMFV-NSHDSACASA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1C(F)F ZINC000188463759 375218484 /nfs/dbraw/zinc/21/84/84/375218484.db2.gz JIWBZVHCRBWMFV-NSHDSACASA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000488223718 375306972 /nfs/dbraw/zinc/30/69/72/375306972.db2.gz BVOSQJCQTJZMTK-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000488223718 375306978 /nfs/dbraw/zinc/30/69/78/375306978.db2.gz BVOSQJCQTJZMTK-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C=CCC1(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000189340070 375369974 /nfs/dbraw/zinc/36/99/74/375369974.db2.gz CXGVGASSBCQXNV-LSDHHAIUSA-N 1 2 287.407 3.039 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000336023169 375627489 /nfs/dbraw/zinc/62/74/89/375627489.db2.gz JDVHTBXNNUKFFD-GFCCVEGCSA-N 1 2 294.358 3.453 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(C)cn1 ZINC000505587382 375659324 /nfs/dbraw/zinc/65/93/24/375659324.db2.gz ZPLRWBOIRXWHFW-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(C)cn1 ZINC000505587382 375659331 /nfs/dbraw/zinc/65/93/31/375659331.db2.gz ZPLRWBOIRXWHFW-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN(CC#N)C1CCCC1 ZINC000192034558 375691751 /nfs/dbraw/zinc/69/17/51/375691751.db2.gz FMGDOCYCRPBTCG-UHFFFAOYSA-N 1 2 294.402 3.449 20 30 CGEDLO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]CCC#N ZINC000519387394 375833537 /nfs/dbraw/zinc/83/35/37/375833537.db2.gz GZWUYBQZLGQBTO-UHFFFAOYSA-N 1 2 282.391 3.000 20 30 CGEDLO C[N@H+](CCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000336581138 375848476 /nfs/dbraw/zinc/84/84/76/375848476.db2.gz BCAGFVVENKGHKX-LBPRGKRZSA-N 1 2 295.180 3.118 20 30 CGEDLO C[N@@H+](CCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000336581138 375848481 /nfs/dbraw/zinc/84/84/81/375848481.db2.gz BCAGFVVENKGHKX-LBPRGKRZSA-N 1 2 295.180 3.118 20 30 CGEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603564 375952879 /nfs/dbraw/zinc/95/28/79/375952879.db2.gz ATKPLRVATNEVTG-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603564 375952882 /nfs/dbraw/zinc/95/28/82/375952882.db2.gz ATKPLRVATNEVTG-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000338293100 376320253 /nfs/dbraw/zinc/32/02/53/376320253.db2.gz VKYWOJFXYBTSAK-DTWKUNHWSA-N 1 2 290.367 3.269 20 30 CGEDLO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000540054447 376354764 /nfs/dbraw/zinc/35/47/64/376354764.db2.gz QLQMMFNVNWGUAA-UHFFFAOYSA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CC1 ZINC000540054447 376354768 /nfs/dbraw/zinc/35/47/68/376354768.db2.gz QLQMMFNVNWGUAA-UHFFFAOYSA-N 1 2 289.766 3.139 20 30 CGEDLO CC#CCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000541747902 376478284 /nfs/dbraw/zinc/47/82/84/376478284.db2.gz CPSCJOQGQKOOLS-UHFFFAOYSA-N 1 2 280.327 3.017 20 30 CGEDLO CC#CC[N@H+](C)Cc1ccc(Br)cc1F ZINC000562776278 377360135 /nfs/dbraw/zinc/36/01/35/377360135.db2.gz VBUXREYCMDVNGP-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000562776278 377360143 /nfs/dbraw/zinc/36/01/43/377360143.db2.gz VBUXREYCMDVNGP-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO C=CCCCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000568188878 377515331 /nfs/dbraw/zinc/51/53/31/377515331.db2.gz UUGDOERHLMYVCJ-UHFFFAOYSA-N 1 2 275.396 3.244 20 30 CGEDLO CC[N@H+](CCCNc1ccnc(C#N)c1)c1ccccc1 ZINC000341386842 377540689 /nfs/dbraw/zinc/54/06/89/377540689.db2.gz SFUFIHYVOQSDQO-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[N@@H+](CCCNc1ccnc(C#N)c1)c1ccccc1 ZINC000341386842 377540698 /nfs/dbraw/zinc/54/06/98/377540698.db2.gz SFUFIHYVOQSDQO-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000572972017 377553183 /nfs/dbraw/zinc/55/31/83/377553183.db2.gz MJWIEQIHIOBDCH-NEPJUHHUSA-N 1 2 291.420 3.017 20 30 CGEDLO CN(Cc1[nH]cc[nH+]1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000428123067 249131812 /nfs/dbraw/zinc/13/18/12/249131812.db2.gz VXQBGZFBSMDEQK-UHFFFAOYSA-N 1 2 297.749 3.119 20 30 CGEDLO Cc1cc(NCc2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC000265320324 190174486 /nfs/dbraw/zinc/17/44/86/190174486.db2.gz DSFJGKYGJHXSDZ-UHFFFAOYSA-N 1 2 264.332 3.146 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000574902687 377722192 /nfs/dbraw/zinc/72/21/92/377722192.db2.gz WFLGBQGUCQCFEF-UHFFFAOYSA-N 1 2 271.408 3.332 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000574902687 377722197 /nfs/dbraw/zinc/72/21/97/377722197.db2.gz WFLGBQGUCQCFEF-UHFFFAOYSA-N 1 2 271.408 3.332 20 30 CGEDLO C=CCN(Cc1c[nH+]c2ccc(C#N)cn12)c1ccccc1 ZINC000342772959 377782332 /nfs/dbraw/zinc/78/23/32/377782332.db2.gz FLSHNXPSAJBHOO-UHFFFAOYSA-N 1 2 288.354 3.399 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000267370782 378038003 /nfs/dbraw/zinc/03/80/03/378038003.db2.gz RPARDTNVNYRQNY-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000267370782 378038007 /nfs/dbraw/zinc/03/80/07/378038007.db2.gz RPARDTNVNYRQNY-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO COc1ccc2oc(C[N@H+](C)C[C@H](C)C#N)cc2c1 ZINC000271140001 378461008 /nfs/dbraw/zinc/46/10/08/378461008.db2.gz USXHYGVFIBGEFT-LLVKDONJSA-N 1 2 258.321 3.033 20 30 CGEDLO COc1ccc2oc(C[N@@H+](C)C[C@H](C)C#N)cc2c1 ZINC000271140001 378461015 /nfs/dbraw/zinc/46/10/15/378461015.db2.gz USXHYGVFIBGEFT-LLVKDONJSA-N 1 2 258.321 3.033 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000274142304 378783363 /nfs/dbraw/zinc/78/33/63/378783363.db2.gz DGFKZJYHPNHDFD-ZJUUUORDSA-N 1 2 272.377 3.130 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274524497 378845356 /nfs/dbraw/zinc/84/53/56/378845356.db2.gz ZVWCXXXNKRVNBQ-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274524497 378845361 /nfs/dbraw/zinc/84/53/61/378845361.db2.gz ZVWCXXXNKRVNBQ-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111900 379035832 /nfs/dbraw/zinc/03/58/32/379035832.db2.gz KQIINMAMSNSBQY-HUUCEWRRSA-N 1 2 274.412 3.467 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111900 379035838 /nfs/dbraw/zinc/03/58/38/379035838.db2.gz KQIINMAMSNSBQY-HUUCEWRRSA-N 1 2 274.412 3.467 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)[nH]1 ZINC000277515650 379177933 /nfs/dbraw/zinc/17/79/33/379177933.db2.gz WWKGHEVZBGEWOT-VHSXEESVSA-N 1 2 289.408 3.102 20 30 CGEDLO C=CCCCN(C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000373543025 379297112 /nfs/dbraw/zinc/29/71/12/379297112.db2.gz ZMHPXPAUYJVDQZ-CYBMUJFWSA-N 1 2 289.423 3.063 20 30 CGEDLO C=CCCCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000373543025 379297121 /nfs/dbraw/zinc/29/71/21/379297121.db2.gz ZMHPXPAUYJVDQZ-CYBMUJFWSA-N 1 2 289.423 3.063 20 30 CGEDLO COc1cc2c(cc1F)C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000347635806 218300817 /nfs/dbraw/zinc/30/08/17/218300817.db2.gz YGNKBSSXRQCHLD-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000347635806 218300818 /nfs/dbraw/zinc/30/08/18/218300818.db2.gz YGNKBSSXRQCHLD-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639811058 379596626 /nfs/dbraw/zinc/59/66/26/379596626.db2.gz PNGMKUWRBHOOAB-UHFFFAOYSA-N 1 2 269.270 3.200 20 30 CGEDLO C=CC[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000639811058 379596637 /nfs/dbraw/zinc/59/66/37/379596637.db2.gz PNGMKUWRBHOOAB-UHFFFAOYSA-N 1 2 269.270 3.200 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280345163 379683975 /nfs/dbraw/zinc/68/39/75/379683975.db2.gz SKOXURJBLZDXBK-GXTWGEPZSA-N 1 2 290.407 3.132 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)no1 ZINC000378093777 379776225 /nfs/dbraw/zinc/77/62/25/379776225.db2.gz BGKKUNCNLJLUQI-INIZCTEOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)no1 ZINC000378093777 379776227 /nfs/dbraw/zinc/77/62/27/379776227.db2.gz BGKKUNCNLJLUQI-INIZCTEOSA-N 1 2 285.322 3.331 20 30 CGEDLO CCn1nccc1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000352369335 379783643 /nfs/dbraw/zinc/78/36/43/379783643.db2.gz PDWDLQFLBRARHB-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CCn1nccc1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000352369335 379783648 /nfs/dbraw/zinc/78/36/48/379783648.db2.gz PDWDLQFLBRARHB-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO C=CC[C@H](CC)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000280992439 379812013 /nfs/dbraw/zinc/81/20/13/379812013.db2.gz JFBKZUXLBDPPSF-HNNXBMFYSA-N 1 2 298.390 3.026 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2nc(C#N)cs2)sc1C ZINC000352841587 379996859 /nfs/dbraw/zinc/99/68/59/379996859.db2.gz ULEZRULMTOOCQX-UHFFFAOYSA-N 1 2 292.433 3.113 20 30 CGEDLO C=C[C@@H]1CCCCN1c1[nH+]c2cccc(F)c2n1C ZINC000409664050 380053657 /nfs/dbraw/zinc/05/36/57/380053657.db2.gz DFMUBVBDNXDHCT-LLVKDONJSA-N 1 2 259.328 3.257 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(C#N)CC1 ZINC000352921494 380040410 /nfs/dbraw/zinc/04/04/10/380040410.db2.gz IYPUEDMPQLFOFL-UHFFFAOYSA-N 1 2 272.396 3.146 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(C#N)CC1 ZINC000352921494 380040419 /nfs/dbraw/zinc/04/04/19/380040419.db2.gz IYPUEDMPQLFOFL-UHFFFAOYSA-N 1 2 272.396 3.146 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C(=O)OC)C1CC1 ZINC000411142552 380132320 /nfs/dbraw/zinc/13/23/20/380132320.db2.gz XICZOWQJCHNJAW-CYBMUJFWSA-N 1 2 299.823 3.341 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C(=O)OC)C1CC1 ZINC000411142552 380132325 /nfs/dbraw/zinc/13/23/25/380132325.db2.gz XICZOWQJCHNJAW-CYBMUJFWSA-N 1 2 299.823 3.341 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000354044726 380298865 /nfs/dbraw/zinc/29/88/65/380298865.db2.gz MDWNYFPWEBBQBZ-SECBINFHSA-N 1 2 268.282 3.228 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000354044726 380298871 /nfs/dbraw/zinc/29/88/71/380298871.db2.gz MDWNYFPWEBBQBZ-SECBINFHSA-N 1 2 268.282 3.228 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000355317078 380640231 /nfs/dbraw/zinc/64/02/31/380640231.db2.gz MANFUYKNSFMORQ-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO CC#CC[C@H](CO)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000645407061 380674075 /nfs/dbraw/zinc/67/40/75/380674075.db2.gz JEWHHEINAUXTKV-SNVBAGLBSA-N 1 2 292.741 3.214 20 30 CGEDLO Cc1[nH+]c(C(C)C)ccc1CNc1n[nH]c(C2CC2)c1C#N ZINC000418966160 380753922 /nfs/dbraw/zinc/75/39/22/380753922.db2.gz WAMZXDUNRGHEPF-UHFFFAOYSA-N 1 2 295.390 3.020 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1cccc(F)c1C#N ZINC000362296831 381933734 /nfs/dbraw/zinc/93/37/34/381933734.db2.gz TVQSNOHTOUHWTA-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1cccc(F)c1C#N ZINC000362296831 381933740 /nfs/dbraw/zinc/93/37/40/381933740.db2.gz TVQSNOHTOUHWTA-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000362946889 382160066 /nfs/dbraw/zinc/16/00/66/382160066.db2.gz ZYZHPFLCZMGXSQ-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC(F)F ZINC000364278075 382267698 /nfs/dbraw/zinc/26/76/98/382267698.db2.gz BMALLGQZOSLVPK-HUUCEWRRSA-N 1 2 294.345 3.040 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC(F)F ZINC000364278075 382267703 /nfs/dbraw/zinc/26/77/03/382267703.db2.gz BMALLGQZOSLVPK-HUUCEWRRSA-N 1 2 294.345 3.040 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC(F)F ZINC000364278074 382267783 /nfs/dbraw/zinc/26/77/83/382267783.db2.gz BMALLGQZOSLVPK-GJZGRUSLSA-N 1 2 294.345 3.040 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC(F)F ZINC000364278074 382267787 /nfs/dbraw/zinc/26/77/87/382267787.db2.gz BMALLGQZOSLVPK-GJZGRUSLSA-N 1 2 294.345 3.040 20 30 CGEDLO C=Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000365792295 382295081 /nfs/dbraw/zinc/29/50/81/382295081.db2.gz BOJBKIQZONBNEE-ROUUACIJSA-N 1 2 292.386 3.255 20 30 CGEDLO C=Cn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000365792295 382295089 /nfs/dbraw/zinc/29/50/89/382295089.db2.gz BOJBKIQZONBNEE-ROUUACIJSA-N 1 2 292.386 3.255 20 30 CGEDLO Cn1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1C#N ZINC000191346987 130224340 /nfs/dbraw/zinc/22/43/40/130224340.db2.gz JUAVPRMWIRQMRE-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO Cn1cc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1C#N ZINC000191346987 130224342 /nfs/dbraw/zinc/22/43/42/130224342.db2.gz JUAVPRMWIRQMRE-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO CC(C)N(C)c1ccc(CNc2ccc(C#N)cc2)c[nH+]1 ZINC000191555460 130254355 /nfs/dbraw/zinc/25/43/55/130254355.db2.gz FTPGPLIDWOMXLY-UHFFFAOYSA-N 1 2 280.375 3.410 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000093100950 392234332 /nfs/dbraw/zinc/23/43/32/392234332.db2.gz IPFXFVBKCVFTSP-UHFFFAOYSA-N 1 2 276.428 3.400 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000093100950 392234337 /nfs/dbraw/zinc/23/43/37/392234337.db2.gz IPFXFVBKCVFTSP-UHFFFAOYSA-N 1 2 276.428 3.400 20 30 CGEDLO CC(C)(C)c1csc(C[NH+]2CCC(C#N)CC2)n1 ZINC000094940870 392243132 /nfs/dbraw/zinc/24/31/32/392243132.db2.gz AGOGWYSCDYKGIU-UHFFFAOYSA-N 1 2 263.410 3.176 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000093091621 392233742 /nfs/dbraw/zinc/23/37/42/392233742.db2.gz IUBLSKUBGFTPCJ-UHFFFAOYSA-N 1 2 277.437 3.467 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000093091621 392233746 /nfs/dbraw/zinc/23/37/46/392233746.db2.gz IUBLSKUBGFTPCJ-UHFFFAOYSA-N 1 2 277.437 3.467 20 30 CGEDLO C=CCC[C@@H](CC)[N@@H+]1CCOC[C@@H]1c1nnc(C(C)C)o1 ZINC000282971248 392298918 /nfs/dbraw/zinc/29/89/18/392298918.db2.gz IOHLZSJMCUBHRC-ZIAGYGMSSA-N 1 2 293.411 3.311 20 30 CGEDLO C=CCC[C@@H](CC)[N@H+]1CCOC[C@@H]1c1nnc(C(C)C)o1 ZINC000282971248 392298924 /nfs/dbraw/zinc/29/89/24/392298924.db2.gz IOHLZSJMCUBHRC-ZIAGYGMSSA-N 1 2 293.411 3.311 20 30 CGEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC1(C#N)CCC1 ZINC000334787170 392750371 /nfs/dbraw/zinc/75/03/71/392750371.db2.gz JGUXKQWEXJVTOK-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC1(C#N)CCC1 ZINC000334787170 392750376 /nfs/dbraw/zinc/75/03/76/392750376.db2.gz JGUXKQWEXJVTOK-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+](CC(F)F)C(C)C ZINC000186260567 392780598 /nfs/dbraw/zinc/78/05/98/392780598.db2.gz OTZLQUKIKKDWDX-UHFFFAOYSA-N 1 2 252.308 3.342 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+](CC(F)F)C(C)C ZINC000186260567 392780600 /nfs/dbraw/zinc/78/06/00/392780600.db2.gz OTZLQUKIKKDWDX-UHFFFAOYSA-N 1 2 252.308 3.342 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(C#N)cc2C)o1 ZINC000186234242 392780872 /nfs/dbraw/zinc/78/08/72/392780872.db2.gz GFTZRPQCUFUEMD-QGZVFWFLSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(C#N)cc2C)o1 ZINC000186234242 392780877 /nfs/dbraw/zinc/78/08/77/392780877.db2.gz GFTZRPQCUFUEMD-QGZVFWFLSA-N 1 2 296.370 3.342 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000519716168 392886371 /nfs/dbraw/zinc/88/63/71/392886371.db2.gz WWDBLHDBLQBKLF-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000519716168 392886381 /nfs/dbraw/zinc/88/63/81/392886381.db2.gz WWDBLHDBLQBKLF-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO C=CCCC1(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)CC1 ZINC000338926402 392936619 /nfs/dbraw/zinc/93/66/19/392936619.db2.gz OJALEVABYCAHJN-UHFFFAOYSA-N 1 2 298.390 3.314 20 30 CGEDLO C=CCOCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000338994809 392939100 /nfs/dbraw/zinc/93/91/00/392939100.db2.gz IQOOLTVAIFHTJZ-CJNGLKHVSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000338994809 392939104 /nfs/dbraw/zinc/93/91/04/392939104.db2.gz IQOOLTVAIFHTJZ-CJNGLKHVSA-N 1 2 295.810 3.304 20 30 CGEDLO CC(C)OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000531403060 392991068 /nfs/dbraw/zinc/99/10/68/392991068.db2.gz IOVBXDPSWYUHDN-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC1(C#N)CC1)CCC2 ZINC000343306140 393023985 /nfs/dbraw/zinc/02/39/85/393023985.db2.gz VAKDHQCXTSILJS-LBPRGKRZSA-N 1 2 275.421 3.318 20 30 CGEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC1(C#N)CC1)CCC2 ZINC000343306140 393023995 /nfs/dbraw/zinc/02/39/95/393023995.db2.gz VAKDHQCXTSILJS-LBPRGKRZSA-N 1 2 275.421 3.318 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1scnc1C ZINC000348642584 393126794 /nfs/dbraw/zinc/12/67/94/393126794.db2.gz KJEUNINUDLSJGX-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1scnc1C ZINC000348642584 393126803 /nfs/dbraw/zinc/12/68/03/393126803.db2.gz KJEUNINUDLSJGX-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348708035 393129429 /nfs/dbraw/zinc/12/94/29/393129429.db2.gz KCKZJNMGNCTDFT-UHFFFAOYSA-N 1 2 298.308 3.424 20 30 CGEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000649280213 393390568 /nfs/dbraw/zinc/39/05/68/393390568.db2.gz KMEKHKAQHNSOLS-ZDUSSCGKSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@H](CO)[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000649280213 393390570 /nfs/dbraw/zinc/39/05/70/393390570.db2.gz KMEKHKAQHNSOLS-ZDUSSCGKSA-N 1 2 286.202 3.289 20 30 CGEDLO Cc1ccsc1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356058752 393353038 /nfs/dbraw/zinc/35/30/38/393353038.db2.gz GAIIVTYSDFMYRV-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ccsc1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356058752 393353045 /nfs/dbraw/zinc/35/30/45/393353045.db2.gz GAIIVTYSDFMYRV-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc[nH+]1 ZINC000419013535 393363595 /nfs/dbraw/zinc/36/35/95/393363595.db2.gz HWCZMSCCJQEOLN-HNNXBMFYSA-N 1 2 264.332 3.146 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000427012307 393452458 /nfs/dbraw/zinc/45/24/58/393452458.db2.gz OLAQEJCWEYUKLC-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000427012307 393452461 /nfs/dbraw/zinc/45/24/61/393452461.db2.gz OLAQEJCWEYUKLC-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000359069385 393534775 /nfs/dbraw/zinc/53/47/75/393534775.db2.gz NBXANMNXUNVCQE-UHFFFAOYSA-N 1 2 255.321 3.167 20 30 CGEDLO Cc1cc(N2CC[C@@]3(CC[C@H](C)C3)C2)c(C#N)c[nH+]1 ZINC000425243159 393691068 /nfs/dbraw/zinc/69/10/68/393691068.db2.gz DXKXPVNVCLQEIT-BLLLJJGKSA-N 1 2 255.365 3.278 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000491652811 393697795 /nfs/dbraw/zinc/69/77/95/393697795.db2.gz BBEMEDWSJKUPHT-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CC1 ZINC000491652811 393697800 /nfs/dbraw/zinc/69/78/00/393697800.db2.gz BBEMEDWSJKUPHT-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO Cc1ccc(NCc2ccc(C#N)c(C)c2)c(C)[nH+]1 ZINC000443989185 393780296 /nfs/dbraw/zinc/78/02/96/393780296.db2.gz NWPXBQWQWOVTEG-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)[nH]1 ZINC000443997272 393781442 /nfs/dbraw/zinc/78/14/42/393781442.db2.gz MECWHRPFBMNJNK-YPMHNXCESA-N 1 2 297.406 3.349 20 30 CGEDLO Cc1cccc(CCCNc2cccc(C#N)c2[N+](=O)[O-])[nH+]1 ZINC000450532475 394011399 /nfs/dbraw/zinc/01/13/99/394011399.db2.gz XHDRMMIWCVUEJR-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675158682 543318617 /nfs/dbraw/zinc/31/86/17/543318617.db2.gz MAEMJYSXLMVPBX-UHFFFAOYSA-N 1 2 255.321 3.041 20 30 CGEDLO COCC#CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000677133397 543435697 /nfs/dbraw/zinc/43/56/97/543435697.db2.gz UCXPJWOTHPCMOF-UHFFFAOYSA-N 1 2 277.367 3.319 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000080278764 165153533 /nfs/dbraw/zinc/15/35/33/165153533.db2.gz NFNCWOHCLRWIOX-CYBMUJFWSA-N 1 2 275.352 3.395 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC000080312269 165154555 /nfs/dbraw/zinc/15/45/55/165154555.db2.gz PDYFTURHYOWLCY-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1cccc(COc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000092315602 165289712 /nfs/dbraw/zinc/28/97/12/165289712.db2.gz DIDBPNJRQAQAJO-UHFFFAOYSA-N 1 2 275.311 3.323 20 30 CGEDLO CC(C)[C@@H](Nc1cccc(F)c1C#N)c1[nH]cc[nH+]1 ZINC000284539155 196080025 /nfs/dbraw/zinc/08/00/25/196080025.db2.gz AWDDRZHVDRBINP-CYBMUJFWSA-N 1 2 258.300 3.230 20 30 CGEDLO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1F ZINC000679217932 543600758 /nfs/dbraw/zinc/60/07/58/543600758.db2.gz BNGCIVIANINNPS-SWLSCSKDSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1F ZINC000679217932 543600760 /nfs/dbraw/zinc/60/07/60/543600760.db2.gz BNGCIVIANINNPS-SWLSCSKDSA-N 1 2 265.759 3.371 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000347046057 226029205 /nfs/dbraw/zinc/02/92/05/226029205.db2.gz GOENPQVFMUOHKR-UHFFFAOYSA-N 1 2 289.423 3.469 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000347046057 226029211 /nfs/dbraw/zinc/02/92/11/226029211.db2.gz GOENPQVFMUOHKR-UHFFFAOYSA-N 1 2 289.423 3.469 20 30 CGEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683026980 543891697 /nfs/dbraw/zinc/89/16/97/543891697.db2.gz RPCBPCYPCOGRKJ-OAHLLOKOSA-N 1 2 297.320 3.081 20 30 CGEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000683026980 543891699 /nfs/dbraw/zinc/89/16/99/543891699.db2.gz RPCBPCYPCOGRKJ-OAHLLOKOSA-N 1 2 297.320 3.081 20 30 CGEDLO N#CC1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000347499156 226169616 /nfs/dbraw/zinc/16/96/16/226169616.db2.gz ZFLKNNSRKCUAGG-MRXNPFEDSA-N 1 2 263.344 3.064 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000684764370 544027094 /nfs/dbraw/zinc/02/70/94/544027094.db2.gz LVLUUBBAJCQVEQ-OCCSQVGLSA-N 1 2 275.396 3.167 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000666132049 419191900 /nfs/dbraw/zinc/19/19/00/419191900.db2.gz OXFRBSDZFFIMMW-ZDUSSCGKSA-N 1 2 284.363 3.154 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CCC(C)C)no1)C(C)(C)C ZINC000661755676 419294962 /nfs/dbraw/zinc/29/49/62/419294962.db2.gz XQUCSBRVJWCBIE-UHFFFAOYSA-N 1 2 265.401 3.445 20 30 CGEDLO C=CC[N@H+](Cc1nc(CCC(C)C)no1)C(C)(C)C ZINC000661755676 419294965 /nfs/dbraw/zinc/29/49/65/419294965.db2.gz XQUCSBRVJWCBIE-UHFFFAOYSA-N 1 2 265.401 3.445 20 30 CGEDLO Cc1ccc(CCC[N@H+](CCC#N)Cc2cccnc2)cn1 ZINC000353364633 228091810 /nfs/dbraw/zinc/09/18/10/228091810.db2.gz RPIUAYJAQRNFEQ-UHFFFAOYSA-N 1 2 294.402 3.134 20 30 CGEDLO Cc1ccc(CCC[N@@H+](CCC#N)Cc2cccnc2)cn1 ZINC000353364633 228091812 /nfs/dbraw/zinc/09/18/12/228091812.db2.gz RPIUAYJAQRNFEQ-UHFFFAOYSA-N 1 2 294.402 3.134 20 30 CGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CC2CCCC2)CCO1 ZINC000330332170 228154333 /nfs/dbraw/zinc/15/43/33/228154333.db2.gz ORDLEYXHTHCFGO-ZFWWWQNUSA-N 1 2 291.395 3.177 20 30 CGEDLO N#CCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000336079306 228185361 /nfs/dbraw/zinc/18/53/61/228185361.db2.gz WBKCXEJFESMMMX-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)nn1 ZINC000662339809 419395383 /nfs/dbraw/zinc/39/53/83/419395383.db2.gz CPFVURFYTCNGBG-SFHVURJKSA-N 1 2 296.418 3.269 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000297990469 260139853 /nfs/dbraw/zinc/13/98/53/260139853.db2.gz WXGCIKFPUABEMI-ZDUSSCGKSA-N 1 2 276.355 3.135 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000054183416 260216840 /nfs/dbraw/zinc/21/68/40/260216840.db2.gz VNZCNSFKVGFFET-SNVBAGLBSA-N 1 2 267.716 3.030 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ccc(CC#N)cc1 ZINC000090208139 260239167 /nfs/dbraw/zinc/23/91/67/260239167.db2.gz AVDXRPXYYGXOFG-UHFFFAOYSA-N 1 2 254.337 3.142 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N ZINC000072589930 260276746 /nfs/dbraw/zinc/27/67/46/260276746.db2.gz SAUQOVXSLASDEQ-CYBMUJFWSA-N 1 2 261.756 3.215 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N ZINC000072589930 260276748 /nfs/dbraw/zinc/27/67/48/260276748.db2.gz SAUQOVXSLASDEQ-CYBMUJFWSA-N 1 2 261.756 3.215 20 30 CGEDLO N#CC1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCCC1 ZINC000078797113 260302658 /nfs/dbraw/zinc/30/26/58/260302658.db2.gz YUAJPUBRDJUMDK-UHFFFAOYSA-N 1 2 280.331 3.099 20 30 CGEDLO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC#N ZINC000154256487 261089567 /nfs/dbraw/zinc/08/95/67/261089567.db2.gz JRSPXEUEMWILNU-UHFFFAOYSA-N 1 2 296.292 3.172 20 30 CGEDLO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC#N ZINC000154256487 261089568 /nfs/dbraw/zinc/08/95/68/261089568.db2.gz JRSPXEUEMWILNU-UHFFFAOYSA-N 1 2 296.292 3.172 20 30 CGEDLO COCCC1(C/[NH+]=C/c2cc(OC)ccc2O)CCC1 ZINC000155036998 261097267 /nfs/dbraw/zinc/09/72/67/261097267.db2.gz UEFIYOYCVDAXCK-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCC[C@H]3OCC[C@@H]32)c1O ZINC000155081714 261097966 /nfs/dbraw/zinc/09/79/66/261097966.db2.gz FOOHCECYDUVPAZ-IICUWRIQSA-N 1 2 289.375 3.167 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C[NH+](C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259600 /nfs/dbraw/zinc/25/96/00/261259600.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C[NH+](C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259602 /nfs/dbraw/zinc/25/96/02/261259602.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259604 /nfs/dbraw/zinc/25/96/04/261259604.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259605 /nfs/dbraw/zinc/25/96/05/261259605.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(CN(C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259608 /nfs/dbraw/zinc/25/96/08/261259608.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(CN(C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259609 /nfs/dbraw/zinc/25/96/09/261259609.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000161776371 261260078 /nfs/dbraw/zinc/26/00/78/261260078.db2.gz FCQNQMIDZKEEMX-LBPRGKRZSA-N 1 2 291.420 3.194 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000161776371 261260079 /nfs/dbraw/zinc/26/00/79/261260079.db2.gz FCQNQMIDZKEEMX-LBPRGKRZSA-N 1 2 291.420 3.194 20 30 CGEDLO COC(=O)C[N@H+](CCCCC#N)Cc1ccc(Cl)cc1 ZINC000171034104 261456424 /nfs/dbraw/zinc/45/64/24/261456424.db2.gz UMTUILADHCVTDI-UHFFFAOYSA-N 1 2 294.782 3.009 20 30 CGEDLO COC(=O)C[N@@H+](CCCCC#N)Cc1ccc(Cl)cc1 ZINC000171034104 261456425 /nfs/dbraw/zinc/45/64/25/261456425.db2.gz UMTUILADHCVTDI-UHFFFAOYSA-N 1 2 294.782 3.009 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccnc1Cl)c1ccc(F)cc1 ZINC000491718571 261937530 /nfs/dbraw/zinc/93/75/30/261937530.db2.gz VGJHINRREVKOQC-CQSZACIVSA-N 1 2 274.726 3.338 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000184091125 262008459 /nfs/dbraw/zinc/00/84/59/262008459.db2.gz PVHKINJBEPABGI-MRXNPFEDSA-N 1 2 295.386 3.442 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccco1 ZINC000184156329 262010736 /nfs/dbraw/zinc/01/07/36/262010736.db2.gz YMNBQZZAERWOOZ-HUUCEWRRSA-N 1 2 289.379 3.026 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)C1CC1 ZINC000491815875 262090361 /nfs/dbraw/zinc/09/03/61/262090361.db2.gz GCLMTBAIJQEELM-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2ccccc2C)o1)C1CC1 ZINC000491815875 262090363 /nfs/dbraw/zinc/09/03/63/262090363.db2.gz GCLMTBAIJQEELM-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000192960661 262213216 /nfs/dbraw/zinc/21/32/16/262213216.db2.gz IEJBVEKUVJMOJA-IPYPFGDCSA-N 1 2 296.374 3.470 20 30 CGEDLO COc1cc(C[N@H+](CC#N)C2CCCC2)ccc1C ZINC000193986663 262231540 /nfs/dbraw/zinc/23/15/40/262231540.db2.gz QRKVSEVMDNYYEL-UHFFFAOYSA-N 1 2 258.365 3.272 20 30 CGEDLO COc1cc(C[N@@H+](CC#N)C2CCCC2)ccc1C ZINC000193986663 262231542 /nfs/dbraw/zinc/23/15/42/262231542.db2.gz QRKVSEVMDNYYEL-UHFFFAOYSA-N 1 2 258.365 3.272 20 30 CGEDLO O=C1c2ccc(F)cc2O/C1=C\c1cccc2[nH+]ccn21 ZINC000365705468 262450253 /nfs/dbraw/zinc/45/02/53/262450253.db2.gz QARGRAOGZJPDNR-ZROIWOOFSA-N 1 2 280.258 3.090 20 30 CGEDLO CC[C@H](C#N)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275401586 263033180 /nfs/dbraw/zinc/03/31/80/263033180.db2.gz BEFJFNAFXWKMRT-CQSZACIVSA-N 1 2 278.359 3.316 20 30 CGEDLO Cc1ccncc1CCC[N@H+](CC#N)C1CCCC1 ZINC000279123575 263053119 /nfs/dbraw/zinc/05/31/19/263053119.db2.gz XKVLAOVTFZXRKJ-UHFFFAOYSA-N 1 2 257.381 3.091 20 30 CGEDLO Cc1ccncc1CCC[N@@H+](CC#N)C1CCCC1 ZINC000279123575 263053120 /nfs/dbraw/zinc/05/31/20/263053120.db2.gz XKVLAOVTFZXRKJ-UHFFFAOYSA-N 1 2 257.381 3.091 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H](C)[C@H]2CCOC2)c(O)c1 ZINC000280965784 263065484 /nfs/dbraw/zinc/06/54/84/263065484.db2.gz ITADALPMXWKQJZ-IFEYXZSHSA-N 1 2 277.364 3.025 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCC(F)(F)C1 ZINC000340290546 263104874 /nfs/dbraw/zinc/10/48/74/263104874.db2.gz PKIOMXAFQXLGQR-GFCCVEGCSA-N 1 2 268.307 3.431 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCC(F)(F)C1 ZINC000340290546 263104875 /nfs/dbraw/zinc/10/48/75/263104875.db2.gz PKIOMXAFQXLGQR-GFCCVEGCSA-N 1 2 268.307 3.431 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC)c(OCC)c1 ZINC000292290681 263130656 /nfs/dbraw/zinc/13/06/56/263130656.db2.gz UDMADLONWBKWOG-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC)c(OCC)c1 ZINC000292290681 263130657 /nfs/dbraw/zinc/13/06/57/263130657.db2.gz UDMADLONWBKWOG-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829443 263135538 /nfs/dbraw/zinc/13/55/38/263135538.db2.gz OQCYQIWXXQKTIF-QWRGUYRKSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829443 263135539 /nfs/dbraw/zinc/13/55/39/263135539.db2.gz OQCYQIWXXQKTIF-QWRGUYRKSA-N 1 2 262.303 3.015 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000295467045 263178075 /nfs/dbraw/zinc/17/80/75/263178075.db2.gz WHLKFFNPLPYITD-LBPRGKRZSA-N 1 2 287.388 3.417 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000295467045 263178076 /nfs/dbraw/zinc/17/80/76/263178076.db2.gz WHLKFFNPLPYITD-LBPRGKRZSA-N 1 2 287.388 3.417 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000341990453 263382502 /nfs/dbraw/zinc/38/25/02/263382502.db2.gz CMFBOUGFNXTDED-GFCCVEGCSA-N 1 2 278.783 3.319 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331343885 264196363 /nfs/dbraw/zinc/19/63/63/264196363.db2.gz LBUVXIBBNSQBIW-HIFRSBDPSA-N 1 2 285.391 3.030 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428083087 264368930 /nfs/dbraw/zinc/36/89/30/264368930.db2.gz BMRBWVFNYJNUBH-XEZPLFJOSA-N 1 2 291.391 3.100 20 30 CGEDLO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287868542 264649425 /nfs/dbraw/zinc/64/94/25/264649425.db2.gz XTWHICSTOYWZIF-GWCFXTLKSA-N 1 2 269.772 3.023 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356628522 266150592 /nfs/dbraw/zinc/15/05/92/266150592.db2.gz JMSJXFMVPUORAU-GFCCVEGCSA-N 1 2 285.391 3.356 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524593871 270113486 /nfs/dbraw/zinc/11/34/86/270113486.db2.gz VKGGBMYUQZSWSF-CQSZACIVSA-N 1 2 298.308 3.102 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524593871 270113487 /nfs/dbraw/zinc/11/34/87/270113487.db2.gz VKGGBMYUQZSWSF-CQSZACIVSA-N 1 2 298.308 3.102 20 30 CGEDLO CCCCCCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000369920788 267276934 /nfs/dbraw/zinc/27/69/34/267276934.db2.gz RKTYSRHJLLJAMS-UHFFFAOYSA-N 1 2 277.412 3.284 20 30 CGEDLO C=CCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000372393927 267558711 /nfs/dbraw/zinc/55/87/11/267558711.db2.gz XZBKDGRUJYYRRN-UHFFFAOYSA-N 1 2 251.333 3.200 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)s3)ccc2n1C ZINC000530914330 268079256 /nfs/dbraw/zinc/07/92/56/268079256.db2.gz GFKOSUQTBFXBFZ-UHFFFAOYSA-N 1 2 296.355 3.067 20 30 CGEDLO Cc1nc([C@H]2CCC[N@@H+]2CC2(C#N)CCC2)cs1 ZINC000334650113 293390476 /nfs/dbraw/zinc/39/04/76/293390476.db2.gz DPKSFQKBGLSLBL-CYBMUJFWSA-N 1 2 261.394 3.282 20 30 CGEDLO Cc1nc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)cs1 ZINC000334650113 293390477 /nfs/dbraw/zinc/39/04/77/293390477.db2.gz DPKSFQKBGLSLBL-CYBMUJFWSA-N 1 2 261.394 3.282 20 30 CGEDLO Cc1cc(N(C)C[C@@H](C)C#N)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484322 327921259 /nfs/dbraw/zinc/92/12/59/327921259.db2.gz ZBPZWTZZPWCOPD-JTQLQIEISA-N 1 2 284.319 3.047 20 30 CGEDLO CC#CC[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000339760035 328055380 /nfs/dbraw/zinc/05/53/80/328055380.db2.gz IRPROSGVVXLXJA-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO CC#CC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000339760035 328055381 /nfs/dbraw/zinc/05/53/81/328055381.db2.gz IRPROSGVVXLXJA-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO C=CC[C@@H](Cc1ccccc1)Nc1cc[nH+]c(C)n1 ZINC000413574726 328149625 /nfs/dbraw/zinc/14/96/25/328149625.db2.gz KOLAIDJHAJJMCN-HNNXBMFYSA-N 1 2 253.349 3.384 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC)ccn1 ZINC000267181853 328174506 /nfs/dbraw/zinc/17/45/06/328174506.db2.gz KIYSLSAEGTXWPK-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)ccn1 ZINC000267181853 328174507 /nfs/dbraw/zinc/17/45/07/328174507.db2.gz KIYSLSAEGTXWPK-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)CN(CCC#N)Cc1cc(OC)cc[nH+]1 ZINC000267181853 328174508 /nfs/dbraw/zinc/17/45/08/328174508.db2.gz KIYSLSAEGTXWPK-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO N#CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC000287844636 328252100 /nfs/dbraw/zinc/25/21/00/328252100.db2.gz QUVQSEDAEVTRQV-MRXNPFEDSA-N 1 2 292.810 3.012 20 30 CGEDLO N#CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC000287844636 328252101 /nfs/dbraw/zinc/25/21/01/328252101.db2.gz QUVQSEDAEVTRQV-MRXNPFEDSA-N 1 2 292.810 3.012 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000293927946 328278573 /nfs/dbraw/zinc/27/85/73/328278573.db2.gz NHCKBZIJXSUHFP-UHFFFAOYSA-N 1 2 268.719 3.086 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000293927946 328278574 /nfs/dbraw/zinc/27/85/74/328278574.db2.gz NHCKBZIJXSUHFP-UHFFFAOYSA-N 1 2 268.719 3.086 20 30 CGEDLO C=CCCCCCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535060522 328381888 /nfs/dbraw/zinc/38/18/88/328381888.db2.gz CZONSBUHCNYGSJ-UHFFFAOYSA-N 1 2 275.396 3.330 20 30 CGEDLO C=CC(C)(C)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425311545 328453839 /nfs/dbraw/zinc/45/38/39/328453839.db2.gz IPIUYUCYXZLEAS-HNNXBMFYSA-N 1 2 297.402 3.260 20 30 CGEDLO CCn1c[nH+]cc1CNc1cccc(OCCCC#N)c1 ZINC000090172348 327031937 /nfs/dbraw/zinc/03/19/37/327031937.db2.gz KVHUGWYYFFDLOV-UHFFFAOYSA-N 1 2 284.363 3.198 20 30 CGEDLO CC#CC[N@@H+](CC)Cc1ccccc1Br ZINC000558600414 327108245 /nfs/dbraw/zinc/10/82/45/327108245.db2.gz ZLSFVGXOUDOCNN-UHFFFAOYSA-N 1 2 266.182 3.294 20 30 CGEDLO CC#CC[N@H+](CC)Cc1ccccc1Br ZINC000558600414 327108247 /nfs/dbraw/zinc/10/82/47/327108247.db2.gz ZLSFVGXOUDOCNN-UHFFFAOYSA-N 1 2 266.182 3.294 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000559334277 327161094 /nfs/dbraw/zinc/16/10/94/327161094.db2.gz MRQQZZOUEWJLQX-UHFFFAOYSA-N 1 2 261.394 3.194 20 30 CGEDLO CCCOc1c(C[NH2+]CC2(C#N)CC2)cccc1OCC ZINC000574110743 327290730 /nfs/dbraw/zinc/29/07/30/327290730.db2.gz BSALYKUJXWFTEM-UHFFFAOYSA-N 1 2 288.391 3.267 20 30 CGEDLO CC(C)N(CCC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000535795621 328635785 /nfs/dbraw/zinc/63/57/85/328635785.db2.gz GPCOFMXRABWVBV-UHFFFAOYSA-N 1 2 282.391 3.055 20 30 CGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000527357601 328666824 /nfs/dbraw/zinc/66/68/24/328666824.db2.gz XVCYYODSXSUHMS-KRWDZBQOSA-N 1 2 299.374 3.244 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000582675151 329123551 /nfs/dbraw/zinc/12/35/51/329123551.db2.gz ZBEHCHLXUZCNJG-CQSZACIVSA-N 1 2 287.407 3.204 20 30 CGEDLO C=CCCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000177818406 329187358 /nfs/dbraw/zinc/18/73/58/329187358.db2.gz RRHGDQIOSXSWMG-UHFFFAOYSA-N 1 2 255.321 3.372 20 30 CGEDLO C=CCSCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226798762 329262544 /nfs/dbraw/zinc/26/25/44/329262544.db2.gz XTKPVVXHJMAKJJ-UHFFFAOYSA-N 1 2 262.300 3.432 20 30 CGEDLO C=CCC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCC1 ZINC000189984160 329390761 /nfs/dbraw/zinc/39/07/61/329390761.db2.gz PPOKJALQCGVDMG-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681076 330056927 /nfs/dbraw/zinc/05/69/27/330056927.db2.gz JSCLETWVTVOKFL-PVXIVEMSSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000429681076 330056929 /nfs/dbraw/zinc/05/69/29/330056929.db2.gz JSCLETWVTVOKFL-PVXIVEMSSA-N 1 2 292.329 3.030 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2csc(Cl)c2)nn1 ZINC000424293779 330335537 /nfs/dbraw/zinc/33/55/37/330335537.db2.gz JGTAUZPCCFKIFH-SECBINFHSA-N 1 2 282.800 3.030 20 30 CGEDLO C=C(C)COCCNc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000432342547 330597664 /nfs/dbraw/zinc/59/76/64/330597664.db2.gz LAQLEAAMYUWDLU-UHFFFAOYSA-N 1 2 298.390 3.249 20 30 CGEDLO C=CCC[C@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000450902491 331006064 /nfs/dbraw/zinc/00/60/64/331006064.db2.gz YBJGFGKOCLVLMP-CYBMUJFWSA-N 1 2 260.312 3.113 20 30 CGEDLO F[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451180992 331019032 /nfs/dbraw/zinc/01/90/32/331019032.db2.gz DLZVYIQWVHZGDJ-CYBMUJFWSA-N 1 2 271.257 3.101 20 30 CGEDLO F[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451180992 331019033 /nfs/dbraw/zinc/01/90/33/331019033.db2.gz DLZVYIQWVHZGDJ-CYBMUJFWSA-N 1 2 271.257 3.101 20 30 CGEDLO C=C[C@H](CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456442416 331192829 /nfs/dbraw/zinc/19/28/29/331192829.db2.gz ZQDDJNMFQHFCCO-IIAWOOMASA-N 1 2 295.386 3.365 20 30 CGEDLO C=CC[C@H](C(=O)Nc1cc[nH+]cc1CC)c1ccccc1 ZINC000488828690 332027840 /nfs/dbraw/zinc/02/78/40/332027840.db2.gz NPFATJJPSHJDBS-INIZCTEOSA-N 1 2 280.371 3.364 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489214398 332043622 /nfs/dbraw/zinc/04/36/22/332043622.db2.gz GSFYIQOIMNMHEX-UHFFFAOYSA-N 1 2 299.320 3.211 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489214398 332043624 /nfs/dbraw/zinc/04/36/24/332043624.db2.gz GSFYIQOIMNMHEX-UHFFFAOYSA-N 1 2 299.320 3.211 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccccc2F)n1 ZINC000491807793 332360795 /nfs/dbraw/zinc/36/07/95/332360795.db2.gz UJDDRODRXDXESH-AWEZNQCLSA-N 1 2 285.366 3.239 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccccc2F)n1 ZINC000491807793 332360796 /nfs/dbraw/zinc/36/07/96/332360796.db2.gz UJDDRODRXDXESH-AWEZNQCLSA-N 1 2 285.366 3.239 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(Cl)cc1 ZINC000491819398 332369335 /nfs/dbraw/zinc/36/93/35/332369335.db2.gz NSZIXVSPXKDBNX-INIZCTEOSA-N 1 2 295.773 3.452 20 30 CGEDLO C=CCOc1cccc(CNc2ccc(N(C)C)[nH+]c2)c1 ZINC000162968387 333115121 /nfs/dbraw/zinc/11/51/21/333115121.db2.gz QALWPBXSOXLSHV-UHFFFAOYSA-N 1 2 283.375 3.325 20 30 CGEDLO C=C(C)C[NH+]1CCN(Cc2ccc(CC)s2)CC1 ZINC000523443516 333327340 /nfs/dbraw/zinc/32/73/40/333327340.db2.gz USJBYPAWIODMSB-UHFFFAOYSA-N 1 2 264.438 3.004 20 30 CGEDLO C=CCCC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000538291554 333583356 /nfs/dbraw/zinc/58/33/56/333583356.db2.gz VJPLXUDXARZCNA-CYBMUJFWSA-N 1 2 282.391 3.426 20 30 CGEDLO COC[C@@H](C#N)[NH2+][C@@H](CC1CCCCC1)C(C)(C)C ZINC000544045694 333912218 /nfs/dbraw/zinc/91/22/18/333912218.db2.gz RTQQSTCHHWMBCR-CABCVRRESA-N 1 2 266.429 3.500 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1noc(Cc2ccccc2)n1 ZINC000549547872 334197520 /nfs/dbraw/zinc/19/75/20/334197520.db2.gz PATLTKAPAVJQNG-NWANDNLSSA-N 1 2 296.374 3.003 20 30 CGEDLO COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000567708239 334754272 /nfs/dbraw/zinc/75/42/72/334754272.db2.gz KKBRJBXJJRLBMQ-WFASDCNBSA-N 1 2 291.782 3.061 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000568821406 334842279 /nfs/dbraw/zinc/84/22/79/334842279.db2.gz MQRLGPXANQHMBF-CYBMUJFWSA-N 1 2 296.399 3.343 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C#N)ccc1Br ZINC000572659950 334869535 /nfs/dbraw/zinc/86/95/35/334869535.db2.gz VDBXVRFVMYSIQN-GFCCVEGCSA-N 1 2 292.180 3.103 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)ccc1C#N ZINC000369116692 533808056 /nfs/dbraw/zinc/80/80/56/533808056.db2.gz NVFKNCWFXGCPAE-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)ccc1C#N ZINC000369116692 533808064 /nfs/dbraw/zinc/80/80/64/533808064.db2.gz NVFKNCWFXGCPAE-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCCNc1cccnc1C#N ZINC000358846453 534684331 /nfs/dbraw/zinc/68/43/31/534684331.db2.gz PNEWYHLKYGCDMC-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364435777 534773912 /nfs/dbraw/zinc/77/39/12/534773912.db2.gz UBDAHGSZFGEDSH-QGZVFWFLSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364435777 534773918 /nfs/dbraw/zinc/77/39/18/534773918.db2.gz UBDAHGSZFGEDSH-QGZVFWFLSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(OCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000437606449 534796340 /nfs/dbraw/zinc/79/63/40/534796340.db2.gz NMRHKIKVULFGHZ-UHFFFAOYSA-N 1 2 289.338 3.382 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](CC(=O)OCC)C(C)C)cc1 ZINC000352245135 526862813 /nfs/dbraw/zinc/86/28/13/526862813.db2.gz CZQMVLVCQMKTHI-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CCOc1ccc(C[N@H+](CC(=O)OCC)C(C)C)cc1 ZINC000352245135 526862816 /nfs/dbraw/zinc/86/28/16/526862816.db2.gz CZQMVLVCQMKTHI-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000352102757 528090550 /nfs/dbraw/zinc/09/05/50/528090550.db2.gz RPWNMRKOURBARR-LBPRGKRZSA-N 1 2 275.352 3.310 20 30 CGEDLO CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000352102757 528090556 /nfs/dbraw/zinc/09/05/56/528090556.db2.gz RPWNMRKOURBARR-LBPRGKRZSA-N 1 2 275.352 3.310 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000440470685 528347508 /nfs/dbraw/zinc/34/75/08/528347508.db2.gz NYDBAVHHBFXHIN-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cn1 ZINC000440470685 528347511 /nfs/dbraw/zinc/34/75/11/528347511.db2.gz NYDBAVHHBFXHIN-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(C)[C@@H]1CCC[C@@H](/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000728785445 571822049 /nfs/dbraw/zinc/82/20/49/571822049.db2.gz GSBONWXIZFTYCI-BEIJXFAXSA-N 1 2 277.364 3.437 20 30 CGEDLO N#Cc1ccccc1CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000729987371 571939722 /nfs/dbraw/zinc/93/97/22/571939722.db2.gz KAYJFYBDEXYSRG-UHFFFAOYSA-N 1 2 299.761 3.453 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1O ZINC000730148385 571951593 /nfs/dbraw/zinc/95/15/93/571951593.db2.gz SALDGOZZAWINPE-UHFFFAOYSA-N 1 2 277.327 3.198 20 30 CGEDLO C=CCCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000740872751 572463557 /nfs/dbraw/zinc/46/35/57/572463557.db2.gz MSXIBGHTARVWKP-UHFFFAOYSA-N 1 2 252.745 3.347 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C/c2cccc(O)c2O)c1 ZINC000732925929 572492243 /nfs/dbraw/zinc/49/22/43/572492243.db2.gz IFTCFTAEXZFHEM-MBNTZHJCSA-N 1 2 285.343 3.157 20 30 CGEDLO COc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1C#N ZINC000742370805 572569937 /nfs/dbraw/zinc/56/99/37/572569937.db2.gz OLDLPKSOMJDMMN-UHFFFAOYSA-N 1 2 299.399 3.191 20 30 CGEDLO CCC(CC)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000734366123 572649979 /nfs/dbraw/zinc/64/99/79/572649979.db2.gz FTTLNFWDMOKSMM-UHFFFAOYSA-N 1 2 270.380 3.375 20 30 CGEDLO CCc1ccc(CC/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000735978527 572759199 /nfs/dbraw/zinc/75/91/99/572759199.db2.gz HLCWEWYRQHMMJO-LDADJPATSA-N 1 2 269.344 3.322 20 30 CGEDLO CON=Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000744998890 572787253 /nfs/dbraw/zinc/78/72/53/572787253.db2.gz GTXQLEBLNUERLM-UHFFFAOYSA-N 1 2 295.342 3.202 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@H](CC)C2CCOCC2)c(O)c1 ZINC000746393889 572869243 /nfs/dbraw/zinc/86/92/43/572869243.db2.gz LYPIEDMBNKKBHW-UWCCDQBKSA-N 1 2 291.391 3.415 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3coc(C4CC4)n3)CC2)c1 ZINC000747923455 572955589 /nfs/dbraw/zinc/95/55/89/572955589.db2.gz LDPNDBZMWYTMPN-UHFFFAOYSA-N 1 2 279.343 3.203 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(C#N)cc3)n21 ZINC000748997850 572987901 /nfs/dbraw/zinc/98/79/01/572987901.db2.gz CTHGZJDOMAETAL-MDZDMXLPSA-N 1 2 287.322 3.411 20 30 CGEDLO COc1ccccc1C1(C/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000749453433 573006468 /nfs/dbraw/zinc/00/64/68/573006468.db2.gz TUCGMNQGHNUNEK-ODLFYWEKSA-N 1 2 297.354 3.257 20 30 CGEDLO Cc1ncsc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901457765 620894108 /nfs/dbraw/zinc/89/41/08/620894108.db2.gz QLNVCXZPGHCENF-SNAWJCMRSA-N 1 2 261.350 3.125 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970288392 613372212 /nfs/dbraw/zinc/37/22/12/613372212.db2.gz RELNJKVDOHYBFR-GXTWGEPZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968715720 613372788 /nfs/dbraw/zinc/37/27/88/613372788.db2.gz DANZPVYFMUCTLN-CYBMUJFWSA-N 1 2 296.798 3.007 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968715720 613372789 /nfs/dbraw/zinc/37/27/89/613372789.db2.gz DANZPVYFMUCTLN-CYBMUJFWSA-N 1 2 296.798 3.007 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000981433238 613373404 /nfs/dbraw/zinc/37/34/04/613373404.db2.gz MWPXEKRWYONISG-HNNXBMFYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000981433238 613373405 /nfs/dbraw/zinc/37/34/05/613373405.db2.gz MWPXEKRWYONISG-HNNXBMFYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000981226177 613373415 /nfs/dbraw/zinc/37/34/15/613373415.db2.gz ZRMIOGSLLCSHSV-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000981226177 613373416 /nfs/dbraw/zinc/37/34/16/613373416.db2.gz ZRMIOGSLLCSHSV-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)C2CCCCCCC2)C1 ZINC000950839016 613653618 /nfs/dbraw/zinc/65/36/18/613653618.db2.gz NSANCZPGSFWBAF-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000949323574 613715720 /nfs/dbraw/zinc/71/57/20/613715720.db2.gz KFYRPTOYLVWCCN-UHFFFAOYSA-N 1 2 298.430 3.288 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)c2cccc(C3CCCC3)c2)CC1 ZINC000957328145 613716914 /nfs/dbraw/zinc/71/69/14/613716914.db2.gz HLPVKWRWPHEBIO-UHFFFAOYSA-N 1 2 298.430 3.288 20 30 CGEDLO CC(=NOC/C=C\Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811670360 617710467 /nfs/dbraw/zinc/71/04/67/617710467.db2.gz QMIJOBOXTTYPKP-AVTJRNQZSA-N 1 2 275.739 3.365 20 30 CGEDLO C#CC[N@@H+](Cc1snnc1C)[C@H]1CCCc2ccccc21 ZINC000933421506 618229467 /nfs/dbraw/zinc/22/94/67/618229467.db2.gz VYGCDBCLTJTXDI-INIZCTEOSA-N 1 2 297.427 3.359 20 30 CGEDLO C#CC[N@H+](Cc1snnc1C)[C@H]1CCCc2ccccc21 ZINC000933421506 618229469 /nfs/dbraw/zinc/22/94/69/618229469.db2.gz VYGCDBCLTJTXDI-INIZCTEOSA-N 1 2 297.427 3.359 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2csc(C#N)c2)on1 ZINC000891718037 618260430 /nfs/dbraw/zinc/26/04/30/618260430.db2.gz JVDYJUMCFWBZPW-ZDUSSCGKSA-N 1 2 273.361 3.253 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2csc(C#N)c2)on1 ZINC000891718037 618260442 /nfs/dbraw/zinc/26/04/42/618260442.db2.gz JVDYJUMCFWBZPW-ZDUSSCGKSA-N 1 2 273.361 3.253 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468020 618626251 /nfs/dbraw/zinc/62/62/51/618626251.db2.gz YHFZEXGLAQBENE-RYUDHWBXSA-N 1 2 269.348 3.047 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468020 618626253 /nfs/dbraw/zinc/62/62/53/618626253.db2.gz YHFZEXGLAQBENE-RYUDHWBXSA-N 1 2 269.348 3.047 20 30 CGEDLO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ncco1 ZINC000926673098 618813699 /nfs/dbraw/zinc/81/36/99/618813699.db2.gz WOKOHBCHOFUFFJ-LBPRGKRZSA-N 1 2 267.332 3.276 20 30 CGEDLO C[C@](O)(CC/[NH+]=C/c1ccccc1O)c1ccccc1 ZINC000189355316 619092133 /nfs/dbraw/zinc/09/21/33/619092133.db2.gz YFKBHOMLZIFBET-NAVNFMRLSA-N 1 2 269.344 3.109 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H](C)CC(C)(C)C#N)no1 ZINC000893674597 619276544 /nfs/dbraw/zinc/27/65/44/619276544.db2.gz KJIIKELFIUXIHM-ZDUSSCGKSA-N 1 2 298.390 3.463 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000932152942 619304693 /nfs/dbraw/zinc/30/46/93/619304693.db2.gz VXUWICPAUOJDMQ-LBPRGKRZSA-N 1 2 284.281 3.321 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000932152942 619304695 /nfs/dbraw/zinc/30/46/95/619304695.db2.gz VXUWICPAUOJDMQ-LBPRGKRZSA-N 1 2 284.281 3.321 20 30 CGEDLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932159399 619306318 /nfs/dbraw/zinc/30/63/18/619306318.db2.gz ZHVYIJRXKDOUIP-HNNXBMFYSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932159399 619306321 /nfs/dbraw/zinc/30/63/21/619306321.db2.gz ZHVYIJRXKDOUIP-HNNXBMFYSA-N 1 2 258.365 3.209 20 30 CGEDLO Cc1ncoc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000894085362 619366010 /nfs/dbraw/zinc/36/60/10/619366010.db2.gz ORDJJUJVAUKKKN-HZPDHXFCSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncoc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000894085362 619366013 /nfs/dbraw/zinc/36/60/13/619366013.db2.gz ORDJJUJVAUKKKN-HZPDHXFCSA-N 1 2 281.359 3.255 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCc2nc3ccccc3s2)c1O ZINC000017309488 619508500 /nfs/dbraw/zinc/50/85/00/619508500.db2.gz VJTCKHPGEZOYTQ-LICLKQGHSA-N 1 2 298.367 3.369 20 30 CGEDLO CC1(CC(F)F)C[NH+](Cc2csc(C#N)c2)C1 ZINC000895105902 619731960 /nfs/dbraw/zinc/73/19/60/619731960.db2.gz UUKOOHURVQSMSI-UHFFFAOYSA-N 1 2 256.321 3.097 20 30 CGEDLO C#CC[C@@H]1CC[N@@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895562195 619850193 /nfs/dbraw/zinc/85/01/93/619850193.db2.gz BMGGQDVZBARYMA-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@@H]1CC[N@H+](Cc2csc(C(F)(F)F)n2)C1 ZINC000895562195 619850194 /nfs/dbraw/zinc/85/01/94/619850194.db2.gz BMGGQDVZBARYMA-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C=CC1(CC(=O)OCc2cc[nH+]c(N)c2)CCCCC1 ZINC000909551045 620088934 /nfs/dbraw/zinc/08/89/34/620088934.db2.gz QYWRBDPONFILBQ-UHFFFAOYSA-N 1 2 274.364 3.234 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796307982 620090930 /nfs/dbraw/zinc/09/09/30/620090930.db2.gz ABVQGJHMPVEZRA-UHFFFAOYSA-N 1 2 290.581 3.483 20 30 CGEDLO C=C1CCC(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000896983012 620117198 /nfs/dbraw/zinc/11/71/98/620117198.db2.gz XFUAZIYHBJUMKP-HOCLYGCPSA-N 1 2 287.407 3.039 20 30 CGEDLO Cn1c[nH+]cc1CON=Cc1ccc(C(C)(C)C)cc1 ZINC000753118095 620310622 /nfs/dbraw/zinc/31/06/22/620310622.db2.gz NJNGHOVDHHXWEB-UHFFFAOYSA-N 1 2 271.364 3.268 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(C#N)c1O ZINC000927030272 620565017 /nfs/dbraw/zinc/56/50/17/620565017.db2.gz SGZIMPWTNAGTAW-MDZLAQPJSA-N 1 2 276.405 3.199 20 30 CGEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCCCC1 ZINC000898502185 620594471 /nfs/dbraw/zinc/59/44/71/620594471.db2.gz BGEZXCVPWYYTOP-OAHLLOKOSA-N 1 2 296.430 3.063 20 30 CGEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCCCC1 ZINC000898502185 620594473 /nfs/dbraw/zinc/59/44/73/620594473.db2.gz BGEZXCVPWYYTOP-OAHLLOKOSA-N 1 2 296.430 3.063 20 30 CGEDLO Cc1oc(C(C)(C)C)cc1C=NNc1[nH+]ccn1C ZINC000901236762 620844807 /nfs/dbraw/zinc/84/48/07/620844807.db2.gz VUKIZITUYUDDSL-UHFFFAOYSA-N 1 2 260.341 3.065 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)cc1 ZINC000901416813 620881604 /nfs/dbraw/zinc/88/16/04/620881604.db2.gz JJVIEEBZBLGCMJ-RMKNXTFCSA-N 1 2 270.332 3.369 20 30 CGEDLO CCOc1ccc(C(=O)/C=C/c2c[nH+]cn2CC)cc1 ZINC000901427505 620883724 /nfs/dbraw/zinc/88/37/24/620883724.db2.gz KSSGBLSBVAQSKA-JXMROGBWSA-N 1 2 270.332 3.198 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2cc(OC)ccc2C1=O ZINC000901427734 620883877 /nfs/dbraw/zinc/88/38/77/620883877.db2.gz PVUUNYFDDWSSNW-MDWZMJQESA-N 1 2 282.343 3.124 20 30 CGEDLO CCn1nc(C)c(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1C ZINC000901464262 620895298 /nfs/dbraw/zinc/89/52/98/620895298.db2.gz GFJGJTZHYFSRKN-BQYQJAHWSA-N 1 2 286.379 3.193 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2cnn(C(C)(C)C)c2C)[nH+]c1C ZINC000901496454 620901886 /nfs/dbraw/zinc/90/18/86/620901886.db2.gz WFYSVPJRGZFMIM-BQYQJAHWSA-N 1 2 286.379 3.183 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c(O)c1 ZINC000901483966 620908722 /nfs/dbraw/zinc/90/87/22/620908722.db2.gz YNCGAFPMMPXDEU-FNORWQNLSA-N 1 2 270.332 3.374 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1[nH]c(C)c(C)[nH+]1)CCO2 ZINC000901485107 620909863 /nfs/dbraw/zinc/90/98/63/620909863.db2.gz CQJJFFHCSMJMDY-XYOKQWHBSA-N 1 2 298.342 3.084 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCOc2cc(C)ccc2C1=O ZINC000901485775 620910255 /nfs/dbraw/zinc/91/02/55/620910255.db2.gz OMWZIEAMZCKXEU-UKTHLTGXSA-N 1 2 282.343 3.260 20 30 CGEDLO C[C@H]1C/C(=C/c2c[nH+]cn2C)C(=O)c2ccccc21 ZINC000901486478 620911040 /nfs/dbraw/zinc/91/10/40/620911040.db2.gz JACGUPKGGFNIQT-LCFDYFRESA-N 1 2 252.317 3.194 20 30 CGEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2cc(C#N)ccn2)o1 ZINC000902817942 621454214 /nfs/dbraw/zinc/45/42/14/621454214.db2.gz GSMKDFWNGWGJCK-BLLLJJGKSA-N 1 2 299.374 3.147 20 30 CGEDLO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cccc(C#N)c1O ZINC000903273888 621658529 /nfs/dbraw/zinc/65/85/29/621658529.db2.gz KGXKRCQLWRJVSI-NDNKKMJESA-N 1 2 288.416 3.341 20 30 CGEDLO C=C(Br)C[N@H+](C)CCc1ccc(F)cc1 ZINC000055059462 622809338 /nfs/dbraw/zinc/80/93/38/622809338.db2.gz BIYICZICOAZKSN-UHFFFAOYSA-N 1 2 272.161 3.209 20 30 CGEDLO C=C(Br)C[N@@H+](C)CCc1ccc(F)cc1 ZINC000055059462 622809342 /nfs/dbraw/zinc/80/93/42/622809342.db2.gz BIYICZICOAZKSN-UHFFFAOYSA-N 1 2 272.161 3.209 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990135 623772163 /nfs/dbraw/zinc/77/21/63/623772163.db2.gz XYRVQJLYSMJUKO-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990135 623772173 /nfs/dbraw/zinc/77/21/73/623772173.db2.gz XYRVQJLYSMJUKO-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2cc(F)ccc2F)ccc1F ZINC000920401328 624489854 /nfs/dbraw/zinc/48/98/54/624489854.db2.gz QGZMKGXGSAECOD-UHFFFAOYSA-N 1 2 294.276 3.249 20 30 CGEDLO C=C[C@H](CC)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835274165 634425035 /nfs/dbraw/zinc/42/50/35/634425035.db2.gz LTAPKJLQTYKBFD-OAHLLOKOSA-N 1 2 270.332 3.053 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OCc1ccc(Cl)cc1 ZINC000108443075 625850096 /nfs/dbraw/zinc/85/00/96/625850096.db2.gz GPVXZGAWLZNBCQ-UHFFFAOYSA-N 1 2 274.751 3.372 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000839170209 626324598 /nfs/dbraw/zinc/32/45/98/626324598.db2.gz YYFVPDVLNQXLCU-KURKYZTESA-N 1 2 299.414 3.257 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751925740 626411595 /nfs/dbraw/zinc/41/15/95/626411595.db2.gz QIERRUPMNDNIBX-RYUDHWBXSA-N 1 2 292.452 3.023 20 30 CGEDLO C#CC[N@H+](Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000751964858 626413529 /nfs/dbraw/zinc/41/35/29/626413529.db2.gz HYRMCEXCKAEQHW-UHFFFAOYSA-N 1 2 287.407 3.495 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C2CCCC2)no1)C1CCCCC1 ZINC000751964858 626413532 /nfs/dbraw/zinc/41/35/32/626413532.db2.gz HYRMCEXCKAEQHW-UHFFFAOYSA-N 1 2 287.407 3.495 20 30 CGEDLO Cc1[nH+]cc(CN=Nc2ccc(F)cn2)n1-c1ccccc1 ZINC000755707830 626638058 /nfs/dbraw/zinc/63/80/58/626638058.db2.gz ZKVNTBXGNXDHPW-UHFFFAOYSA-N 1 2 295.321 3.161 20 30 CGEDLO C#CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)c1ccccc1 ZINC000756953879 626743151 /nfs/dbraw/zinc/74/31/51/626743151.db2.gz UJOLHZAINDJHEE-HNNXBMFYSA-N 1 2 276.343 3.443 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761763854 627059114 /nfs/dbraw/zinc/05/91/14/627059114.db2.gz ZFGGFAQOGUQQLS-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761763854 627059116 /nfs/dbraw/zinc/05/91/16/627059116.db2.gz ZFGGFAQOGUQQLS-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO Cc1cc(C(N)=[NH+]OC/C(Cl)=C/Cl)ccc1F ZINC000763181260 627144151 /nfs/dbraw/zinc/14/41/51/627144151.db2.gz WSLJNJSTIFXOHE-UITAMQMPSA-N 1 2 277.126 3.090 20 30 CGEDLO CC#CCCCCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000768124143 627461247 /nfs/dbraw/zinc/46/12/47/627461247.db2.gz HFLGEFKBPNWVEA-MRXNPFEDSA-N 1 2 299.414 3.170 20 30 CGEDLO CC#CCCCCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000768124143 627461248 /nfs/dbraw/zinc/46/12/48/627461248.db2.gz HFLGEFKBPNWVEA-MRXNPFEDSA-N 1 2 299.414 3.170 20 30 CGEDLO C(=NNc1ccc2ccccc2n1)c1cccc2[nH+]ccn21 ZINC000771090759 627682130 /nfs/dbraw/zinc/68/21/30/627682130.db2.gz YJDYWRJZKIUYHS-UHFFFAOYSA-N 1 2 287.326 3.329 20 30 CGEDLO C#CCCCCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000773279166 627871338 /nfs/dbraw/zinc/87/13/38/627871338.db2.gz UFUMZWQGQRIAFI-UHFFFAOYSA-N 1 2 293.436 3.117 20 30 CGEDLO CCC(CC)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000774469814 627994869 /nfs/dbraw/zinc/99/48/69/627994869.db2.gz BOESKTRJGHGVLX-UHFFFAOYSA-N 1 2 274.412 3.064 20 30 CGEDLO C#C[C@H]([NH2+][C@H](C)c1csc(C(C)C)n1)[C@H]1CCCO1 ZINC000775571749 628108047 /nfs/dbraw/zinc/10/80/47/628108047.db2.gz KYHWDEDTZCMBFT-MBNYWOFBSA-N 1 2 278.421 3.098 20 30 CGEDLO CCCC1CCC(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000775701277 628127332 /nfs/dbraw/zinc/12/73/32/628127332.db2.gz JIUBHDZZGMIAHN-HTWSVDAQSA-N 1 2 289.467 3.265 20 30 CGEDLO CCCC1CCC(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000775701277 628127336 /nfs/dbraw/zinc/12/73/36/628127336.db2.gz JIUBHDZZGMIAHN-HTWSVDAQSA-N 1 2 289.467 3.265 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1F ZINC000776730026 628228053 /nfs/dbraw/zinc/22/80/53/628228053.db2.gz ZWRZSNNKIJFWOG-SREVYHEPSA-N 1 2 291.285 3.241 20 30 CGEDLO C=CCOc1cccc(NC(=O)c2cccc3[nH+]ccn32)c1 ZINC000776847244 628235960 /nfs/dbraw/zinc/23/59/60/628235960.db2.gz JHJGWUYLAIXVLT-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO CC1(C)CCC[C@H]1NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000782287571 628634083 /nfs/dbraw/zinc/63/40/83/628634083.db2.gz MUBHIBNJYPHVGQ-OAHLLOKOSA-N 1 2 286.423 3.206 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC[C@@H]2CCO[C@H](C)C2)c1O ZINC000783683890 628739486 /nfs/dbraw/zinc/73/94/86/628739486.db2.gz BKDQAUWWVMIYCU-RWNNJQNRSA-N 1 2 291.391 3.415 20 30 CGEDLO CCn1cc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000783708556 628742324 /nfs/dbraw/zinc/74/23/24/628742324.db2.gz RXAJYHQLBQIMAE-ONEGZZNKSA-N 1 2 298.371 3.046 20 30 CGEDLO N#Cc1cccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783820336 628749314 /nfs/dbraw/zinc/74/93/14/628749314.db2.gz CRLKEJSKYTWLSD-UHFFFAOYSA-N 1 2 293.355 3.251 20 30 CGEDLO C=CC[C@H](C(=O)OCCCn1cc[nH+]c1)c1ccccc1 ZINC000784832125 628834663 /nfs/dbraw/zinc/83/46/63/628834663.db2.gz IFLAWNXXFQXWGD-INIZCTEOSA-N 1 2 284.359 3.176 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cncs1 ZINC000787173242 629000176 /nfs/dbraw/zinc/00/01/76/629000176.db2.gz YXKWZRKLITZFBQ-IHWYPQMZSA-N 1 2 289.747 3.340 20 30 CGEDLO CC[C@@H](C)NN=Cc1ccc(C=[NH+]N[C@H](C)CC)cc1 ZINC000790181920 629189995 /nfs/dbraw/zinc/18/99/95/629189995.db2.gz ANIILAYXUJHTDP-ZIAGYGMSSA-N 1 2 274.412 3.131 20 30 CGEDLO Cc1c(F)nccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000862239091 629329035 /nfs/dbraw/zinc/32/90/35/629329035.db2.gz VBCXUTDUHRBXFR-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1c(F)nccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000862239091 629329036 /nfs/dbraw/zinc/32/90/36/629329036.db2.gz VBCXUTDUHRBXFR-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(C#N)cc1 ZINC000792629042 629371860 /nfs/dbraw/zinc/37/18/60/629371860.db2.gz FEPHLYFNFMAQKL-UHFFFAOYSA-N 1 2 290.370 3.362 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)nc1 ZINC000796948048 629863943 /nfs/dbraw/zinc/86/39/43/629863943.db2.gz MEELAXGZJQLBKR-INIZCTEOSA-N 1 2 295.390 3.088 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)cc(Cl)n1 ZINC000797590823 629965584 /nfs/dbraw/zinc/96/55/84/629965584.db2.gz OHFBKJUEGYEPBG-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cc(Cl)n1 ZINC000797590823 629965590 /nfs/dbraw/zinc/96/55/90/629965590.db2.gz OHFBKJUEGYEPBG-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO CC(C)(C)c1cn(Cc2ccc(C#N)cc2F)c[nH+]1 ZINC000865375426 630085872 /nfs/dbraw/zinc/08/58/72/630085872.db2.gz JPIAHXSKXOLFQU-UHFFFAOYSA-N 1 2 257.312 3.240 20 30 CGEDLO O=C1C=C([NH2+]Nc2cc(Cl)cc(Cl)c2)[C@H]2CCCN12 ZINC000799485608 630188856 /nfs/dbraw/zinc/18/88/56/630188856.db2.gz MBMFNGRNHCFSRM-GFCCVEGCSA-N 1 2 298.173 3.156 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccccc3C#N)n21 ZINC000799499841 630192089 /nfs/dbraw/zinc/19/20/89/630192089.db2.gz ZRQIKSLYSFGDBT-MDZDMXLPSA-N 1 2 287.322 3.411 20 30 CGEDLO N#C[C@H]1CC[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)C1 ZINC000799724116 630225307 /nfs/dbraw/zinc/22/53/07/630225307.db2.gz FFGQLUXZDLHDSU-ZFWWWQNUSA-N 1 2 287.432 3.344 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809640772 630771953 /nfs/dbraw/zinc/77/19/53/630771953.db2.gz MGZXXHHBHNGLKK-JTQLQIEISA-N 1 2 297.189 3.423 20 30 CGEDLO C#CC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC000809717071 630789690 /nfs/dbraw/zinc/78/96/90/630789690.db2.gz WKWRKCWWQQRFAN-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO C#CC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC000809717071 630789695 /nfs/dbraw/zinc/78/96/95/630789695.db2.gz WKWRKCWWQQRFAN-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO CCCOc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000810130441 630841122 /nfs/dbraw/zinc/84/11/22/630841122.db2.gz OBGVFLJJEPVUDM-UHFFFAOYSA-N 1 2 287.388 3.093 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000811589786 631089014 /nfs/dbraw/zinc/08/90/14/631089014.db2.gz GFVZLNFKQHPBEF-HNNXBMFYSA-N 1 2 289.423 3.088 20 30 CGEDLO N#Cc1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CC2 ZINC000811641562 631095329 /nfs/dbraw/zinc/09/53/29/631095329.db2.gz HIIRSLGJSUZDJW-UHFFFAOYSA-N 1 2 298.349 3.291 20 30 CGEDLO Cc1cccn2c(/C=C3\Cc4ccc(C#N)cc4C3=O)c[nH+]c12 ZINC000811697303 631111461 /nfs/dbraw/zinc/11/14/61/631111461.db2.gz ZEQKCOVXNMOTHS-OQLLNIDSSA-N 1 2 299.333 3.337 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000814677601 631620896 /nfs/dbraw/zinc/62/08/96/631620896.db2.gz HNAPJJNATOPBRU-UHFFFAOYSA-N 1 2 290.411 3.180 20 30 CGEDLO CC(=[NH+]O[C@H]1CCCCO1)c1ccc(Cl)c(N)c1 ZINC000814886845 631665808 /nfs/dbraw/zinc/66/58/08/631665808.db2.gz FGLVVAIAAFURQB-ZDUSSCGKSA-N 1 2 268.744 3.189 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H](O)c1cccc2ccccc21 ZINC000815057623 631709068 /nfs/dbraw/zinc/70/90/68/631709068.db2.gz WHKBLPCVHSPRBE-KRWDZBQOSA-N 1 2 268.360 3.109 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H](O)c1cccc2ccccc21 ZINC000815057623 631709075 /nfs/dbraw/zinc/70/90/75/631709075.db2.gz WHKBLPCVHSPRBE-KRWDZBQOSA-N 1 2 268.360 3.109 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CC12CCSCC2 ZINC000817708050 632202556 /nfs/dbraw/zinc/20/25/56/632202556.db2.gz RMQBNWOWTOFARQ-YDRQLGOLSA-N 1 2 261.390 3.344 20 30 CGEDLO Cc1cc(NC[C@H](O)c2ccc(C#N)cc2)ccc1[NH+](C)C ZINC000819408035 632452590 /nfs/dbraw/zinc/45/25/90/632452590.db2.gz HZBGZTZGUQWJBA-SFHVURJKSA-N 1 2 295.386 3.078 20 30 CGEDLO Nc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)c[nH+]1 ZINC000821040305 632716443 /nfs/dbraw/zinc/71/64/43/632716443.db2.gz XJYZQDIQUIMPGH-ORCRQEGFSA-N 1 2 276.698 3.352 20 30 CGEDLO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866273454 633057247 /nfs/dbraw/zinc/05/72/47/633057247.db2.gz MQCWAGHYZWOJHN-VXGBXAGGSA-N 1 2 276.380 3.118 20 30 CGEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)Oc1ccccc1 ZINC000866296944 633068885 /nfs/dbraw/zinc/06/88/85/633068885.db2.gz PEYVAMHBFYBMJK-KGLIPLIRSA-N 1 2 296.370 3.382 20 30 CGEDLO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(C#N)c1O ZINC000866311386 633076745 /nfs/dbraw/zinc/07/67/45/633076745.db2.gz JFDKYUWHPDACHA-SJCJKPOMSA-N 1 2 293.370 3.461 20 30 CGEDLO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000866356387 633098445 /nfs/dbraw/zinc/09/84/45/633098445.db2.gz DBTUWKVGHFFJLV-VIFPVBQESA-N 1 2 284.281 3.257 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1O ZINC000866379603 633112784 /nfs/dbraw/zinc/11/27/84/633112784.db2.gz REVVVSQCSDJAMF-NZVBXONLSA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1O ZINC000866379604 633112848 /nfs/dbraw/zinc/11/28/48/633112848.db2.gz REVVVSQCSDJAMF-WKPIXPDZSA-N 1 2 256.349 3.103 20 30 CGEDLO CCC[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)OCC ZINC000866396117 633121196 /nfs/dbraw/zinc/12/11/96/633121196.db2.gz NDOUVCVQBJPGSA-OCCSQVGLSA-N 1 2 276.380 3.120 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(F)F ZINC000824509288 633251641 /nfs/dbraw/zinc/25/16/41/633251641.db2.gz KRXGVLHIIWVTIB-GWCFXTLKSA-N 1 2 268.307 3.111 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824955610 633310347 /nfs/dbraw/zinc/31/03/47/633310347.db2.gz XGXUIOFKNAIZTL-OLZOCXBDSA-N 1 2 285.746 3.008 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccnc(Cl)c2F)CCCCC1 ZINC000827383410 633487278 /nfs/dbraw/zinc/48/72/78/633487278.db2.gz FKLHRKFIPADPCZ-UHFFFAOYSA-N 1 2 281.762 3.438 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169312 633707643 /nfs/dbraw/zinc/70/76/43/633707643.db2.gz LWZHBDMWKVASAV-UHFFFAOYSA-N 1 2 292.814 3.208 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829169312 633707645 /nfs/dbraw/zinc/70/76/45/633707645.db2.gz LWZHBDMWKVASAV-UHFFFAOYSA-N 1 2 292.814 3.208 20 30 CGEDLO C#CCC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000829871835 633805432 /nfs/dbraw/zinc/80/54/32/633805432.db2.gz CBFHCJKDMLRMFF-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO C#CCC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000829871835 633805434 /nfs/dbraw/zinc/80/54/34/633805434.db2.gz CBFHCJKDMLRMFF-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO CCOc1cccc(F)c1CNc1cc(CC#N)cc[nH+]1 ZINC000871862494 633900609 /nfs/dbraw/zinc/90/06/09/633900609.db2.gz FMQGWUMVBAYGTC-UHFFFAOYSA-N 1 2 285.322 3.298 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000872140032 634063108 /nfs/dbraw/zinc/06/31/08/634063108.db2.gz VZAYYSLLZGHWOZ-BPUTZDHNSA-N 1 2 286.423 3.208 20 30 CGEDLO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H](C)C#N ZINC000876617261 634868856 /nfs/dbraw/zinc/86/88/56/634868856.db2.gz IRAAWPDXJMDLME-LLVKDONJSA-N 1 2 275.352 3.193 20 30 CGEDLO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H](C)C#N ZINC000876617261 634868861 /nfs/dbraw/zinc/86/88/61/634868861.db2.gz IRAAWPDXJMDLME-LLVKDONJSA-N 1 2 275.352 3.193 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876618085 634869098 /nfs/dbraw/zinc/86/90/98/634869098.db2.gz ZBRKHVVVKWUKNZ-CYBMUJFWSA-N 1 2 260.381 3.455 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OC(C)(C)C)c1 ZINC000876618085 634869100 /nfs/dbraw/zinc/86/91/00/634869100.db2.gz ZBRKHVVVKWUKNZ-CYBMUJFWSA-N 1 2 260.381 3.455 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000876866159 634916473 /nfs/dbraw/zinc/91/64/73/634916473.db2.gz PLHQDVNRTOIQBK-LSDHHAIUSA-N 1 2 287.407 3.263 20 30 CGEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877047452 634962877 /nfs/dbraw/zinc/96/28/77/634962877.db2.gz ZZMLBTPSGBROKA-QMMMGPOBSA-N 1 2 290.754 3.062 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877312059 635023569 /nfs/dbraw/zinc/02/35/69/635023569.db2.gz CWBLMTANIVOMML-QGZVFWFLSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877312059 635023574 /nfs/dbraw/zinc/02/35/74/635023574.db2.gz CWBLMTANIVOMML-QGZVFWFLSA-N 1 2 283.350 3.500 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000877312794 635023741 /nfs/dbraw/zinc/02/37/41/635023741.db2.gz MHXQQCFPPWBNPE-MRXNPFEDSA-N 1 2 287.363 3.337 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000877312794 635023744 /nfs/dbraw/zinc/02/37/44/635023744.db2.gz MHXQQCFPPWBNPE-MRXNPFEDSA-N 1 2 287.363 3.337 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000840710306 635039261 /nfs/dbraw/zinc/03/92/61/635039261.db2.gz PXUNEKWUKMPELA-FDIDITGRSA-N 1 2 291.391 3.415 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877480265 635053406 /nfs/dbraw/zinc/05/34/06/635053406.db2.gz PPRSPUVZARUZPH-SECBINFHSA-N 1 2 286.253 3.067 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877480265 635053410 /nfs/dbraw/zinc/05/34/10/635053410.db2.gz PPRSPUVZARUZPH-SECBINFHSA-N 1 2 286.253 3.067 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OCC ZINC000877672252 635141358 /nfs/dbraw/zinc/14/13/58/635141358.db2.gz ZQYPLBCDSFVTIE-OLZOCXBDSA-N 1 2 271.788 3.007 20 30 CGEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccoc1)c1ccccc1 ZINC000877988905 635309693 /nfs/dbraw/zinc/30/96/93/635309693.db2.gz PXSUHSXFXKRVML-SFHVURJKSA-N 1 2 296.370 3.152 20 30 CGEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccoc1)c1ccccc1 ZINC000877988905 635309698 /nfs/dbraw/zinc/30/96/98/635309698.db2.gz PXSUHSXFXKRVML-SFHVURJKSA-N 1 2 296.370 3.152 20 30 CGEDLO C=CC(C)(C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000878033778 635331685 /nfs/dbraw/zinc/33/16/85/635331685.db2.gz XYQAEPUJYGMKAP-UHFFFAOYSA-N 1 2 257.337 3.412 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188288 635402608 /nfs/dbraw/zinc/40/26/08/635402608.db2.gz GZPHKSALOWUXBC-ZANVPECISA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188288 635402611 /nfs/dbraw/zinc/40/26/11/635402611.db2.gz GZPHKSALOWUXBC-ZANVPECISA-N 1 2 287.190 3.261 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)nc1Cl ZINC000878886445 635650354 /nfs/dbraw/zinc/65/03/54/635650354.db2.gz JPYNLUZDZUMETJ-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)nc1Cl ZINC000878886445 635650358 /nfs/dbraw/zinc/65/03/58/635650358.db2.gz JPYNLUZDZUMETJ-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)cc(=O)oc2c1 ZINC000879310027 635752515 /nfs/dbraw/zinc/75/25/15/635752515.db2.gz KFLWXSIWMJGOAW-XJKSGUPXSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)cc(=O)oc2c1 ZINC000879310027 635752518 /nfs/dbraw/zinc/75/25/18/635752518.db2.gz KFLWXSIWMJGOAW-XJKSGUPXSA-N 1 2 296.370 3.226 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880066636 635907323 /nfs/dbraw/zinc/90/73/23/635907323.db2.gz HZSWYEVPEVCCNN-HIFRSBDPSA-N 1 2 297.320 3.080 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880066636 635907327 /nfs/dbraw/zinc/90/73/27/635907327.db2.gz HZSWYEVPEVCCNN-HIFRSBDPSA-N 1 2 297.320 3.080 20 30 CGEDLO CCCCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845279965 636019449 /nfs/dbraw/zinc/01/94/49/636019449.db2.gz GHDZWUALGGQCRN-CYBMUJFWSA-N 1 2 252.358 3.348 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccnc(Cl)c2F)CCCC1 ZINC000846010972 636128832 /nfs/dbraw/zinc/12/88/32/636128832.db2.gz PMAJGJSKYONPJG-UHFFFAOYSA-N 1 2 267.735 3.048 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000847020847 636312685 /nfs/dbraw/zinc/31/26/85/636312685.db2.gz FCVAMVXVJFLDKO-GFCCVEGCSA-N 1 2 258.752 3.057 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000847020847 636312688 /nfs/dbraw/zinc/31/26/88/636312688.db2.gz FCVAMVXVJFLDKO-GFCCVEGCSA-N 1 2 258.752 3.057 20 30 CGEDLO c1cn(CCCN=NC2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000848416227 636571760 /nfs/dbraw/zinc/57/17/60/636571760.db2.gz CZKUKXGUJSVGNE-INIZCTEOSA-N 1 2 282.391 3.187 20 30 CGEDLO CCC(C[C@H](C)CC)=NNCCCn1cc[nH+]c1 ZINC000848418504 636572865 /nfs/dbraw/zinc/57/28/65/636572865.db2.gz ONXUDWVTVLASIM-CYBMUJFWSA-N 1 2 250.390 3.065 20 30 CGEDLO CCc1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)co1 ZINC000848555053 636603325 /nfs/dbraw/zinc/60/33/25/636603325.db2.gz KMGWRGIQFVOOGQ-UHFFFAOYSA-N 1 2 283.375 3.328 20 30 CGEDLO CCCCCCC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000848924524 636697885 /nfs/dbraw/zinc/69/78/85/636697885.db2.gz UTJIYDQIHPQTKL-KBPBESRZSA-N 1 2 294.443 3.495 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2CC(OC)C2)c1 ZINC000849170412 636762299 /nfs/dbraw/zinc/76/22/99/636762299.db2.gz MDANWWPDZGHIRR-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C/c1ccccc1O ZINC000849170287 636762314 /nfs/dbraw/zinc/76/23/14/636762314.db2.gz NJGMPSIKRSOXQS-GZTJUZNOSA-N 1 2 263.381 3.388 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc([N+](=O)[O-])cc1 ZINC000133155371 636877445 /nfs/dbraw/zinc/87/74/45/636877445.db2.gz CRIJMJZMSXALND-CMDGGOBGSA-N 1 2 293.282 3.139 20 30 CGEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000886243083 637468479 /nfs/dbraw/zinc/46/84/79/637468479.db2.gz NQWPYMIAJULDOE-OAHLLOKOSA-N 1 2 290.794 3.100 20 30 CGEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000886243083 637468483 /nfs/dbraw/zinc/46/84/83/637468483.db2.gz NQWPYMIAJULDOE-OAHLLOKOSA-N 1 2 290.794 3.100 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000852097334 637590533 /nfs/dbraw/zinc/59/05/33/637590533.db2.gz OQQZFDMJGOZXCK-OAHLLOKOSA-N 1 2 289.766 3.282 20 30 CGEDLO C#CCC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC000886658608 637637117 /nfs/dbraw/zinc/63/71/17/637637117.db2.gz JIBBHNFFKBFXLR-UHFFFAOYSA-N 1 2 281.359 3.019 20 30 CGEDLO C[C@H]1CCCCN1[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000853379097 637827690 /nfs/dbraw/zinc/82/76/90/637827690.db2.gz DFGGHYDUCJHPMX-AWEZNQCLSA-N 1 2 275.396 3.478 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1[nH]c(C(C)(C)C)nc1=S ZINC000853598855 637872071 /nfs/dbraw/zinc/87/20/71/637872071.db2.gz XJTGKHMTFJFGEJ-TXEJJXNPSA-N 1 2 292.452 3.379 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1[nH]c(C(C)(C)C)nc1=S ZINC000853598855 637872073 /nfs/dbraw/zinc/87/20/73/637872073.db2.gz XJTGKHMTFJFGEJ-TXEJJXNPSA-N 1 2 292.452 3.379 20 30 CGEDLO C=CC[C@H]1CCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000853802132 637928028 /nfs/dbraw/zinc/92/80/28/637928028.db2.gz SCCNSVQVDVOASO-ZDUSSCGKSA-N 1 2 299.422 3.374 20 30 CGEDLO C=C1CC(C)(c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000924124874 638302056 /nfs/dbraw/zinc/30/20/56/638302056.db2.gz MTRYLNGYDOVGCR-ZDUSSCGKSA-N 1 2 273.380 3.367 20 30 CGEDLO C=C1CC(C)(c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000924124874 638302063 /nfs/dbraw/zinc/30/20/63/638302063.db2.gz MTRYLNGYDOVGCR-ZDUSSCGKSA-N 1 2 273.380 3.367 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)CSC)c1cccc(C#N)c1O ZINC000925095690 638449577 /nfs/dbraw/zinc/44/95/77/638449577.db2.gz KTWITCSNPLPLJA-MFKMUULPSA-N 1 2 264.394 3.056 20 30 CGEDLO N#CCC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857102 638579906 /nfs/dbraw/zinc/57/99/06/638579906.db2.gz AAKAZNHXDKYNOG-HOTGVXAUSA-N 1 2 280.375 3.422 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccccc1 ZINC000857981524 638612334 /nfs/dbraw/zinc/61/23/34/638612334.db2.gz GDZNWBGKRVMUIJ-HZPDHXFCSA-N 1 2 295.386 3.194 20 30 CGEDLO CC[C@H]([NH2+]CC1(OC)CCCC1)c1cccc(C#N)c1O ZINC000926494744 638777801 /nfs/dbraw/zinc/77/78/01/638777801.db2.gz MCBJKKLQAGWXBX-HNNXBMFYSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(F)(F)c1ccccc1 ZINC000926612892 638791171 /nfs/dbraw/zinc/79/11/71/638791171.db2.gz BFNOHQCDPWBIOE-MBNYWOFBSA-N 1 2 264.319 3.449 20 30 CGEDLO CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000926706332 638801545 /nfs/dbraw/zinc/80/15/45/638801545.db2.gz TTXRQPYKACHBKX-JSGCOSHPSA-N 1 2 280.318 3.350 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3c2nccc3Cl)CCCC1 ZINC000926873582 638820136 /nfs/dbraw/zinc/82/01/36/638820136.db2.gz HENCOWCRTHWFLB-ZDUSSCGKSA-N 1 2 275.783 3.396 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1nccs1 ZINC000929768455 638949208 /nfs/dbraw/zinc/94/92/08/638949208.db2.gz LKZUPBQUCBIFFQ-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1nccs1 ZINC000929768455 638949211 /nfs/dbraw/zinc/94/92/11/638949211.db2.gz LKZUPBQUCBIFFQ-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCC(C#N)CC1 ZINC000929798470 638952858 /nfs/dbraw/zinc/95/28/58/638952858.db2.gz KBWMCWODSDNOGT-UHFFFAOYSA-N 1 2 282.391 3.127 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCC(C#N)CC1 ZINC000929798470 638952860 /nfs/dbraw/zinc/95/28/60/638952860.db2.gz KBWMCWODSDNOGT-UHFFFAOYSA-N 1 2 282.391 3.127 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000930268902 638987458 /nfs/dbraw/zinc/98/74/58/638987458.db2.gz FCKGFFXZFVRSAW-BZNIZROVSA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000930268902 638987460 /nfs/dbraw/zinc/98/74/60/638987460.db2.gz FCKGFFXZFVRSAW-BZNIZROVSA-N 1 2 290.794 3.211 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000930292316 638988723 /nfs/dbraw/zinc/98/87/23/638988723.db2.gz FIBRDYXJEFLSHY-UHFFFAOYSA-N 1 2 270.710 3.443 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930339935 638991838 /nfs/dbraw/zinc/99/18/38/638991838.db2.gz YZCPJCWVYWNJIB-GOSISDBHSA-N 1 2 295.361 3.332 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930339935 638991839 /nfs/dbraw/zinc/99/18/39/638991839.db2.gz YZCPJCWVYWNJIB-GOSISDBHSA-N 1 2 295.361 3.332 20 30 CGEDLO C#CC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858599695 638999862 /nfs/dbraw/zinc/99/98/62/638999862.db2.gz NRSWISHIXFUBNP-AWEZNQCLSA-N 1 2 250.345 3.475 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000859280870 639124082 /nfs/dbraw/zinc/12/40/82/639124082.db2.gz MJVAKWROVYXRHM-MRVPVSSYSA-N 1 2 288.135 3.181 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000859280870 639124083 /nfs/dbraw/zinc/12/40/83/639124083.db2.gz MJVAKWROVYXRHM-MRVPVSSYSA-N 1 2 288.135 3.181 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](CC=C(Cl)Cl)C2 ZINC000860109337 639284204 /nfs/dbraw/zinc/28/42/04/639284204.db2.gz QWAHSVOGMKQLSF-UHFFFAOYSA-N 1 2 281.186 3.430 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](CC=C(Cl)Cl)C2 ZINC000860109337 639284211 /nfs/dbraw/zinc/28/42/11/639284211.db2.gz QWAHSVOGMKQLSF-UHFFFAOYSA-N 1 2 281.186 3.430 20 30 CGEDLO CCOc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)n1 ZINC000933774060 639488676 /nfs/dbraw/zinc/48/86/76/639488676.db2.gz VVPROXOBKUUGKM-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO CCOc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)n1 ZINC000933774060 639488683 /nfs/dbraw/zinc/48/86/83/639488683.db2.gz VVPROXOBKUUGKM-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(OC)ccc1Br ZINC000158997971 640026503 /nfs/dbraw/zinc/02/65/03/640026503.db2.gz PLPWGZYQYULVKP-UHFFFAOYSA-N 1 2 290.588 3.300 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OCc1ccc(Cl)s1 ZINC000048706916 640067736 /nfs/dbraw/zinc/06/77/36/640067736.db2.gz TZQAHUZVCQHJHJ-UHFFFAOYSA-N 1 2 280.780 3.433 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1c2c(sc1=O)C[C@H](CC)CC2 ZINC000076664483 640208444 /nfs/dbraw/zinc/20/84/44/640208444.db2.gz ZUAPGCSDDYSDSA-CYBMUJFWSA-N 1 2 294.464 3.280 20 30 CGEDLO C=CCCC[N@H+](C)Cn1c2c(sc1=O)C[C@H](CC)CC2 ZINC000076664483 640208447 /nfs/dbraw/zinc/20/84/47/640208447.db2.gz ZUAPGCSDDYSDSA-CYBMUJFWSA-N 1 2 294.464 3.280 20 30 CGEDLO C#CCCOc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000192149387 640352225 /nfs/dbraw/zinc/35/22/25/640352225.db2.gz HXPQMYNASKSLKJ-UHFFFAOYSA-N 1 2 270.307 3.235 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007199550 640914474 /nfs/dbraw/zinc/91/44/74/640914474.db2.gz OPVIFVSBYYSLRI-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007199550 640914476 /nfs/dbraw/zinc/91/44/76/640914476.db2.gz OPVIFVSBYYSLRI-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO Cc1c[nH+]c(NCCCOc2ccccc2C)c(/C=N/O)c1 ZINC001156034464 805642927 /nfs/dbraw/zinc/64/29/27/805642927.db2.gz MRLWVWGECJFUNT-UDWIEESQSA-N 1 2 299.374 3.388 20 30 CGEDLO C=CC[C@@](C)([NH2+]C[C@@H](O)CCCCCCCC)C(=O)OC ZINC001252141756 806024855 /nfs/dbraw/zinc/02/48/55/806024855.db2.gz OLXDUDVDJYOSRW-DOTOQJQBSA-N 1 2 299.455 3.195 20 30 CGEDLO CC(C)(S)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001159269584 806071657 /nfs/dbraw/zinc/07/16/57/806071657.db2.gz MSNLPWGGADTQTP-UHFFFAOYSA-N 1 2 290.367 3.371 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001253251789 806196388 /nfs/dbraw/zinc/19/63/88/806196388.db2.gz OQZFBEOOIDFJBR-CVEARBPZSA-N 1 2 299.455 3.195 20 30 CGEDLO C[C@H](NC(=O)CCCCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161013052 806336483 /nfs/dbraw/zinc/33/64/83/806336483.db2.gz JVFZXKNXBZFADZ-AWEZNQCLSA-N 1 2 296.374 3.133 20 30 CGEDLO CCCC[C@](CC)([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OCC ZINC001254645208 806470169 /nfs/dbraw/zinc/47/01/69/806470169.db2.gz AWSNVGMNTWPTOG-YCPHGPKFSA-N 1 2 280.412 3.170 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1ncccc1C ZINC001161880459 806477593 /nfs/dbraw/zinc/47/75/93/806477593.db2.gz CPUMHWQGKYLBQN-UHFFFAOYSA-N 1 2 253.349 3.434 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001255161833 806559370 /nfs/dbraw/zinc/55/93/70/806559370.db2.gz ALAMGPDORLRWJZ-SMDDNHRTSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc(C)c(Br)cn1 ZINC001255164816 806562851 /nfs/dbraw/zinc/56/28/51/806562851.db2.gz QXDZVCXTGGMUIP-WDEREUQCSA-N 1 2 296.212 3.495 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001255172672 806565274 /nfs/dbraw/zinc/56/52/74/806565274.db2.gz RKTBHWMEXBGSCG-CHWSQXEVSA-N 1 2 280.318 3.110 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001255172672 806565280 /nfs/dbraw/zinc/56/52/80/806565280.db2.gz RKTBHWMEXBGSCG-CHWSQXEVSA-N 1 2 280.318 3.110 20 30 CGEDLO CC1(C)C[C@@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001255526473 806663894 /nfs/dbraw/zinc/66/38/94/806663894.db2.gz UCRMJOLBVLAWBV-ZDUSSCGKSA-N 1 2 250.386 3.150 20 30 CGEDLO C[N@H+](CC=C(Cl)Cl)Cc1cccc(C#N)c1 ZINC000403326683 799565182 /nfs/dbraw/zinc/56/51/82/799565182.db2.gz DECUVHKVFOLWGA-UHFFFAOYSA-N 1 2 255.148 3.309 20 30 CGEDLO C[N@@H+](CC=C(Cl)Cl)Cc1cccc(C#N)c1 ZINC000403326683 799565186 /nfs/dbraw/zinc/56/51/86/799565186.db2.gz DECUVHKVFOLWGA-UHFFFAOYSA-N 1 2 255.148 3.309 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2CC(OCC)C2)c1 ZINC000588565443 799712529 /nfs/dbraw/zinc/71/25/29/799712529.db2.gz XCIMYQSDPIVQER-PDGQHHTCSA-N 1 2 291.391 3.415 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000822658624 800463341 /nfs/dbraw/zinc/46/33/41/800463341.db2.gz DCMZINHYRORMKI-HIFRSBDPSA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@]1(C2CC2)C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCO1 ZINC000930923155 800651887 /nfs/dbraw/zinc/65/18/87/800651887.db2.gz JTWHHYLRDCYBBI-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@]1(C2CC2)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCO1 ZINC000930923155 800651890 /nfs/dbraw/zinc/65/18/90/800651890.db2.gz JTWHHYLRDCYBBI-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C#CC[N@H+](Cc1ccc(Cl)nc1Cl)C(C)C ZINC000932387659 800664577 /nfs/dbraw/zinc/66/45/77/800664577.db2.gz IAPAYZQHJHXARE-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(Cl)nc1Cl)C(C)C ZINC000932387659 800664580 /nfs/dbraw/zinc/66/45/80/800664580.db2.gz IAPAYZQHJHXARE-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326110 800724267 /nfs/dbraw/zinc/72/42/67/800724267.db2.gz HKUAKPBONKZJJY-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024326110 800724271 /nfs/dbraw/zinc/72/42/71/800724271.db2.gz HKUAKPBONKZJJY-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001027873665 800823259 /nfs/dbraw/zinc/82/32/59/800823259.db2.gz HVFJSJPTAQWLJW-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001027873665 800823265 /nfs/dbraw/zinc/82/32/65/800823265.db2.gz HVFJSJPTAQWLJW-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146967 800833030 /nfs/dbraw/zinc/83/30/30/800833030.db2.gz NMBPJHYCLMFPGE-RBSFLKMASA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146967 800833034 /nfs/dbraw/zinc/83/30/34/800833034.db2.gz NMBPJHYCLMFPGE-RBSFLKMASA-N 1 2 298.858 3.002 20 30 CGEDLO CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001256363103 806868026 /nfs/dbraw/zinc/86/80/26/806868026.db2.gz GPIYGPZAZUFGOC-AAEUAGOBSA-N 1 2 253.411 3.085 20 30 CGEDLO CC(C)CC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001256363103 806868032 /nfs/dbraw/zinc/86/80/32/806868032.db2.gz GPIYGPZAZUFGOC-AAEUAGOBSA-N 1 2 253.411 3.085 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc(C)c3ccccc23)C1 ZINC001031015864 800902582 /nfs/dbraw/zinc/90/25/82/800902582.db2.gz QUQXBBPMVDYMTL-UHFFFAOYSA-N 1 2 294.398 3.138 20 30 CGEDLO C[C@@H]1CCN(c2cc(CC#N)cc[nH+]2)CCC1(F)F ZINC001164115299 806894362 /nfs/dbraw/zinc/89/43/62/806894362.db2.gz LDUURIXQRPCUIW-LLVKDONJSA-N 1 2 265.307 3.019 20 30 CGEDLO C[C@@]1(F)CCN(c2[nH+]ccc3ccc(C#N)cc32)C[C@@H]1F ZINC001164334456 806934239 /nfs/dbraw/zinc/93/42/39/806934239.db2.gz SHDNPNVTFVNUCI-GOEBONIOSA-N 1 2 287.313 3.383 20 30 CGEDLO Cc1cc[nH+]c2cc(NC(=NC#N)c3ccncc3)ccc12 ZINC001164513857 806952938 /nfs/dbraw/zinc/95/29/38/806952938.db2.gz HBPNEUMBNSPTIZ-UHFFFAOYSA-N 1 2 287.326 3.087 20 30 CGEDLO N#Cc1ccc2c(c1)CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164488911 806953268 /nfs/dbraw/zinc/95/32/68/806953268.db2.gz QMASNHACJACRJY-UHFFFAOYSA-N 1 2 275.355 3.393 20 30 CGEDLO C=CCCCC(=O)N1CC[NH+](Cc2csc(C)c2)CC1 ZINC001113283886 802211979 /nfs/dbraw/zinc/21/19/79/802211979.db2.gz XPPKLQMPMLQMKB-UHFFFAOYSA-N 1 2 292.448 3.057 20 30 CGEDLO C=CCC1(C(=O)N2CC[NH+](CC(=C)C)CC2)CCCCC1 ZINC001113667113 802230689 /nfs/dbraw/zinc/23/06/89/802230689.db2.gz OOLICBNMUCPPBE-UHFFFAOYSA-N 1 2 290.451 3.233 20 30 CGEDLO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(C2CC2)n1 ZINC001119937734 802710986 /nfs/dbraw/zinc/71/09/86/802710986.db2.gz YAXHMAZQWNPXOZ-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(C2CC2)n1 ZINC001119937734 802710988 /nfs/dbraw/zinc/71/09/88/802710988.db2.gz YAXHMAZQWNPXOZ-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO Cc1c[nH+]c2ccccc2c1N1CCC[C@@H](C#N)C1 ZINC001120059158 802731693 /nfs/dbraw/zinc/73/16/93/802731693.db2.gz GAZLALSWZLULDQ-ZDUSSCGKSA-N 1 2 251.333 3.283 20 30 CGEDLO N#Cc1c(Nc2ccc(N)[nH+]c2)cccc1C(F)(F)F ZINC001201291843 811809622 /nfs/dbraw/zinc/80/96/22/811809622.db2.gz FMYZCMILZJXMIH-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO N#Cc1cc(Nc2ccn3cc[nH+]c3c2)cc(F)c1F ZINC001204992062 812813789 /nfs/dbraw/zinc/81/37/89/812813789.db2.gz ZJNZVBZYJFNGIF-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO Cc1cnc(F)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243785067 803003788 /nfs/dbraw/zinc/00/37/88/803003788.db2.gz UTKAVRPSERMORS-KEBDBYFISA-N 1 2 282.322 3.289 20 30 CGEDLO C[C@H](C#N)c1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001243904302 803067779 /nfs/dbraw/zinc/06/77/79/803067779.db2.gz UHSRZRFDRKLMGP-CQSZACIVSA-N 1 2 293.370 3.212 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2Cc3cccc(C#N)c3C2)c(O)c1 ZINC001206503977 813338174 /nfs/dbraw/zinc/33/81/74/813338174.db2.gz DPMAGZLCMIURFB-UHFFFAOYSA-N 1 2 294.354 3.097 20 30 CGEDLO COc1cc(C)c(C[N@H+]2Cc3cccc(C#N)c3C2)c(O)c1 ZINC001206503977 813338179 /nfs/dbraw/zinc/33/81/79/813338179.db2.gz DPMAGZLCMIURFB-UHFFFAOYSA-N 1 2 294.354 3.097 20 30 CGEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c(N)c1 ZINC001244089179 803178950 /nfs/dbraw/zinc/17/89/50/803178950.db2.gz DWMAIZGGEJKCFA-UHFFFAOYSA-N 1 2 274.327 3.052 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)ccc2N)cc1C#N ZINC001244397043 803345467 /nfs/dbraw/zinc/34/54/67/803345467.db2.gz GLRROQXIQAUCLG-KEBDBYFISA-N 1 2 282.322 3.168 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(F)c2CO)cc1C#N ZINC001244564307 803442948 /nfs/dbraw/zinc/44/29/48/803442948.db2.gz CBEQEDFWOIIJKZ-RGVLZGJSSA-N 1 2 297.333 3.078 20 30 CGEDLO Cc1cc(-c2c(F)c(F)c(C#N)c(F)c2F)c[nH+]c1N ZINC001245538936 803797102 /nfs/dbraw/zinc/79/71/02/803797102.db2.gz KPQHMANCUJKYJB-UHFFFAOYSA-N 1 2 281.212 3.067 20 30 CGEDLO C(#Cc1ccc(C[N@@H+]2CCC23COC3)cc1)c1ccccc1 ZINC001138336062 803898446 /nfs/dbraw/zinc/89/84/46/803898446.db2.gz JDNKUTYKLHSXCR-UHFFFAOYSA-N 1 2 289.378 3.061 20 30 CGEDLO C(#Cc1ccc(C[N@H+]2CCC23COC3)cc1)c1ccccc1 ZINC001138336062 803898454 /nfs/dbraw/zinc/89/84/54/803898454.db2.gz JDNKUTYKLHSXCR-UHFFFAOYSA-N 1 2 289.378 3.061 20 30 CGEDLO COc1cccc(F)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001138383487 803911244 /nfs/dbraw/zinc/91/12/44/803911244.db2.gz DWQQKQPXWCTVOW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1cccc(F)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001138383487 803911247 /nfs/dbraw/zinc/91/12/47/803911247.db2.gz DWQQKQPXWCTVOW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1cccc(F)c1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001138379872 803911349 /nfs/dbraw/zinc/91/13/49/803911349.db2.gz JAJZJZKSJMQASY-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc(F)c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001138379872 803911354 /nfs/dbraw/zinc/91/13/54/803911354.db2.gz JAJZJZKSJMQASY-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCn1ccc2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc21 ZINC001139123957 804132102 /nfs/dbraw/zinc/13/21/02/804132102.db2.gz GCFMGNDLWVCHPT-OAHLLOKOSA-N 1 2 267.376 3.397 20 30 CGEDLO CCn1ccc2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc21 ZINC001139123957 804132108 /nfs/dbraw/zinc/13/21/08/804132108.db2.gz GCFMGNDLWVCHPT-OAHLLOKOSA-N 1 2 267.376 3.397 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2[nH]c(CCCC)nc2Cl)C1 ZINC001139179038 804150272 /nfs/dbraw/zinc/15/02/72/804150272.db2.gz CATICTGFECJDDW-LBPRGKRZSA-N 1 2 279.815 3.251 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2[nH]c(CCCC)nc2Cl)C1 ZINC001139179038 804150276 /nfs/dbraw/zinc/15/02/76/804150276.db2.gz CATICTGFECJDDW-LBPRGKRZSA-N 1 2 279.815 3.251 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(OC)c1 ZINC001139622195 804234119 /nfs/dbraw/zinc/23/41/19/804234119.db2.gz WYILLJMWTGLBAC-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(OC)c1 ZINC001139622195 804234123 /nfs/dbraw/zinc/23/41/23/804234123.db2.gz WYILLJMWTGLBAC-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO Cc1ccc(C[N@H+](C)CC(=O)c2ccccc2)cc1C#N ZINC001139725846 804266493 /nfs/dbraw/zinc/26/64/93/804266493.db2.gz GGZDFXSTZSRHCH-UHFFFAOYSA-N 1 2 278.355 3.181 20 30 CGEDLO Cc1ccc(C[N@@H+](C)CC(=O)c2ccccc2)cc1C#N ZINC001139725846 804266502 /nfs/dbraw/zinc/26/65/02/804266502.db2.gz GGZDFXSTZSRHCH-UHFFFAOYSA-N 1 2 278.355 3.181 20 30 CGEDLO C=CCn1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cn1 ZINC001139772414 804278743 /nfs/dbraw/zinc/27/87/43/804278743.db2.gz IVEBTLSVUUWXMU-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C=CCn1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)cn1 ZINC001139772414 804278749 /nfs/dbraw/zinc/27/87/49/804278749.db2.gz IVEBTLSVUUWXMU-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2C(F)F)C1 ZINC001139803117 804286511 /nfs/dbraw/zinc/28/65/11/804286511.db2.gz ZNXUFCBSUVBEPL-CQSZACIVSA-N 1 2 250.292 3.360 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001139803117 804286518 /nfs/dbraw/zinc/28/65/18/804286518.db2.gz ZNXUFCBSUVBEPL-CQSZACIVSA-N 1 2 250.292 3.360 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139873104 804305238 /nfs/dbraw/zinc/30/52/38/804305238.db2.gz AARLOBRCRFDNEX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139873104 804305248 /nfs/dbraw/zinc/30/52/48/804305248.db2.gz AARLOBRCRFDNEX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1cc(F)cc(C[NH+]2CC3(C2)CC(F)(F)CS3)c1 ZINC001139876136 804307682 /nfs/dbraw/zinc/30/76/82/804307682.db2.gz MDHTZBCJJZUQOH-UHFFFAOYSA-N 1 2 298.333 3.024 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1[nH]nc2ccc(OC)cc21 ZINC001140068060 804369757 /nfs/dbraw/zinc/36/97/57/804369757.db2.gz ZYGHALOZDVIYRT-UHFFFAOYSA-N 1 2 286.379 3.087 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1[nH]nc2ccc(OC)cc21 ZINC001140068060 804369763 /nfs/dbraw/zinc/36/97/63/804369763.db2.gz ZYGHALOZDVIYRT-UHFFFAOYSA-N 1 2 286.379 3.087 20 30 CGEDLO N#Cc1c(F)cc(C[NH+]2CC3(C2)CCCC3)cc1F ZINC001140752684 804504584 /nfs/dbraw/zinc/50/45/84/804504584.db2.gz NKITYEYXUYWASV-UHFFFAOYSA-N 1 2 262.303 3.212 20 30 CGEDLO CCCCCCCCC[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246833754 804542946 /nfs/dbraw/zinc/54/29/46/804542946.db2.gz GKXSCHVPZLHXLX-HZPDHXFCSA-N 1 2 265.445 3.313 20 30 CGEDLO CCCCCCCCC[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246833754 804542951 /nfs/dbraw/zinc/54/29/51/804542951.db2.gz GKXSCHVPZLHXLX-HZPDHXFCSA-N 1 2 265.445 3.313 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118174 804593460 /nfs/dbraw/zinc/59/34/60/804593460.db2.gz NJZDSRSEEOGSGG-CQSZACIVSA-N 1 2 281.334 3.233 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141118174 804593463 /nfs/dbraw/zinc/59/34/63/804593463.db2.gz NJZDSRSEEOGSGG-CQSZACIVSA-N 1 2 281.334 3.233 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CC(c2ccccc2)C1 ZINC001141166702 804603326 /nfs/dbraw/zinc/60/33/26/804603326.db2.gz GTGAOZLYCCADRZ-UHFFFAOYSA-N 1 2 266.319 3.297 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccnc2[nH]ccc21 ZINC001142866222 804777005 /nfs/dbraw/zinc/77/70/05/804777005.db2.gz DOEDNFJYWCWZHI-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccnc2[nH]ccc21 ZINC001142866222 804777010 /nfs/dbraw/zinc/77/70/10/804777010.db2.gz DOEDNFJYWCWZHI-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001143394942 804847853 /nfs/dbraw/zinc/84/78/53/804847853.db2.gz WVSDXMHTLGCIPH-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143394942 804847860 /nfs/dbraw/zinc/84/78/60/804847860.db2.gz WVSDXMHTLGCIPH-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO CCc1cccc(C[NH+]2CC(Oc3ccccc3C#N)C2)c1 ZINC001144328786 804974702 /nfs/dbraw/zinc/97/47/02/804974702.db2.gz HMDBWPLVBQAIIN-UHFFFAOYSA-N 1 2 292.382 3.384 20 30 CGEDLO Cn1c2ccccc2[nH+]c1Nc1ccccc1OCC#N ZINC001212596080 815081094 /nfs/dbraw/zinc/08/10/94/815081094.db2.gz AOZDXJVYDAPTSY-UHFFFAOYSA-N 1 2 278.315 3.219 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCCCCC)C(=O)OCC ZINC001257361416 807124333 /nfs/dbraw/zinc/12/43/33/807124333.db2.gz KWXACJXIFFVJQD-LZWOXQAQSA-N 1 2 267.413 3.443 20 30 CGEDLO C=C(C)CN(CC)c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001167049693 807136324 /nfs/dbraw/zinc/13/63/24/807136324.db2.gz RONVYBUSJLEBSO-UHFFFAOYSA-N 1 2 260.385 3.009 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257835986 807225502 /nfs/dbraw/zinc/22/55/02/807225502.db2.gz VWLVORQPNBOXRC-OOHWJJMZSA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257835986 807225506 /nfs/dbraw/zinc/22/55/06/807225506.db2.gz VWLVORQPNBOXRC-OOHWJJMZSA-N 1 2 272.392 3.358 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCCc1ccc(C#N)cc1 ZINC001167682851 807226430 /nfs/dbraw/zinc/22/64/30/807226430.db2.gz WDAZEPULKREKKI-UHFFFAOYSA-N 1 2 281.359 3.395 20 30 CGEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257874483 807232621 /nfs/dbraw/zinc/23/26/21/807232621.db2.gz ADLKLYMWDFAIMC-SHARSMKWSA-N 1 2 252.402 3.250 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2[nH+]cccc2-n2cccc2)CC1 ZINC001167843235 807261205 /nfs/dbraw/zinc/26/12/05/807261205.db2.gz ZIZRCJMFXAAREV-HDJSIYSDSA-N 1 2 266.348 3.367 20 30 CGEDLO N#Cc1ncc(F)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694983 815105421 /nfs/dbraw/zinc/10/54/21/815105421.db2.gz HNWIRWHKROHSDX-UHFFFAOYSA-N 1 2 293.305 3.081 20 30 CGEDLO COc1ccc(CC[C@H](C)[N@@H+]2CCCC[C@H]2C#N)cc1 ZINC001258407632 807442459 /nfs/dbraw/zinc/44/24/59/807442459.db2.gz GIFXLNJKFUCFLT-HOCLYGCPSA-N 1 2 272.392 3.394 20 30 CGEDLO COc1ccc(CC[C@H](C)[N@H+]2CCCC[C@H]2C#N)cc1 ZINC001258407632 807442461 /nfs/dbraw/zinc/44/24/61/807442461.db2.gz GIFXLNJKFUCFLT-HOCLYGCPSA-N 1 2 272.392 3.394 20 30 CGEDLO Cc1ccc2c(Nc3ncc(C#N)nc3C)cccc2[nH+]1 ZINC001212795876 815141887 /nfs/dbraw/zinc/14/18/87/815141887.db2.gz GZBAKMMJXHGSFV-UHFFFAOYSA-N 1 2 275.315 3.257 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)co1 ZINC001261505050 807753625 /nfs/dbraw/zinc/75/36/25/807753625.db2.gz YFBZDZUVOBSZNY-BQYQJAHWSA-N 1 2 285.347 3.155 20 30 CGEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCC(C)(C)S ZINC001170305478 807823235 /nfs/dbraw/zinc/82/32/35/807823235.db2.gz ZYUHYOLIMAQWMR-UHFFFAOYSA-N 1 2 296.436 3.086 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC001170520365 807850322 /nfs/dbraw/zinc/85/03/22/807850322.db2.gz VZXSCWGKEFYJQJ-UHFFFAOYSA-N 1 2 293.345 3.382 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC001170520365 807850329 /nfs/dbraw/zinc/85/03/29/807850329.db2.gz VZXSCWGKEFYJQJ-UHFFFAOYSA-N 1 2 293.345 3.382 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001265312916 808130507 /nfs/dbraw/zinc/13/05/07/808130507.db2.gz XJDAHGMCVVGTLZ-GXTWGEPZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001265312916 808130510 /nfs/dbraw/zinc/13/05/10/808130510.db2.gz XJDAHGMCVVGTLZ-GXTWGEPZSA-N 1 2 286.847 3.002 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](C)C1CCCCC1 ZINC001171799212 808143403 /nfs/dbraw/zinc/14/34/03/808143403.db2.gz MVPBFCTVUHFIEH-OAHLLOKOSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](C)C1CCCCC1 ZINC001171799212 808143408 /nfs/dbraw/zinc/14/34/08/808143408.db2.gz MVPBFCTVUHFIEH-OAHLLOKOSA-N 1 2 293.451 3.480 20 30 CGEDLO CC[C@H](C)OCC[C@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172323648 808232727 /nfs/dbraw/zinc/23/27/27/808232727.db2.gz CSZNCWNXMZBSOR-KBPBESRZSA-N 1 2 252.402 3.396 20 30 CGEDLO C#CCOc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213032687 815206934 /nfs/dbraw/zinc/20/69/34/815206934.db2.gz SPCVLTQXQAUXET-UHFFFAOYSA-N 1 2 263.300 3.319 20 30 CGEDLO N#Cc1c(F)cc(F)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213034581 815208611 /nfs/dbraw/zinc/20/86/11/815208611.db2.gz RUFSEKOGJSCZQM-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001267761174 808486627 /nfs/dbraw/zinc/48/66/27/808486627.db2.gz CGXXRIXPWNMKSZ-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001267761174 808486630 /nfs/dbraw/zinc/48/66/30/808486630.db2.gz CGXXRIXPWNMKSZ-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172952281 808494307 /nfs/dbraw/zinc/49/43/07/808494307.db2.gz FVANVQUJMLJHQP-XJKSGUPXSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172952276 808494510 /nfs/dbraw/zinc/49/45/10/808494510.db2.gz FVANVQUJMLJHQP-BBRMVZONSA-N 1 2 297.443 3.160 20 30 CGEDLO CC1(C#N)CCC([N@@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001173592164 808648913 /nfs/dbraw/zinc/64/89/13/808648913.db2.gz IQYJSZPKKBNPAD-HIFPTAJRSA-N 1 2 274.330 3.386 20 30 CGEDLO CC1(C#N)CCC([N@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001173592164 808648916 /nfs/dbraw/zinc/64/89/16/808648916.db2.gz IQYJSZPKKBNPAD-HIFPTAJRSA-N 1 2 274.330 3.386 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@](C)(F)CCCC ZINC001275864923 808972984 /nfs/dbraw/zinc/97/29/84/808972984.db2.gz CWQVKWKWCDYJFZ-TZMCWYRMSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@](C)(F)CCCC ZINC001275864923 808972992 /nfs/dbraw/zinc/97/29/92/808972992.db2.gz CWQVKWKWCDYJFZ-TZMCWYRMSA-N 1 2 292.826 3.094 20 30 CGEDLO N#Cc1c(F)cc(Nc2cc[nH+]c3[nH]ccc32)cc1F ZINC001174414437 809009411 /nfs/dbraw/zinc/00/94/11/809009411.db2.gz CGCCCYKNHLCFRS-UHFFFAOYSA-N 1 2 270.242 3.408 20 30 CGEDLO N#Cc1cc(F)cc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175351886 809374256 /nfs/dbraw/zinc/37/42/56/809374256.db2.gz XERXFZGWLCIFRN-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO C#Cc1cc(NC=Cc2ccc(Cl)cc2)cc[nH+]1 ZINC001175593501 809466678 /nfs/dbraw/zinc/46/66/78/809466678.db2.gz FZRMHMOCTQSOLJ-VQHVLOKHSA-N 1 2 254.720 3.221 20 30 CGEDLO C#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175714928 809517149 /nfs/dbraw/zinc/51/71/49/809517149.db2.gz ZPQHKDFBPKHDKG-UHFFFAOYSA-N 1 2 277.249 3.408 20 30 CGEDLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)cnc1C#N ZINC001176750547 809757641 /nfs/dbraw/zinc/75/76/41/809757641.db2.gz YDCVUFQNUARFOP-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C#Cc1cc(Nc2c(OC)cccc2C2CC2)cc[nH+]1 ZINC001213812118 815335202 /nfs/dbraw/zinc/33/52/02/815335202.db2.gz OAAFEYIVXIJHOV-UHFFFAOYSA-N 1 2 264.328 3.114 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001184787949 810219738 /nfs/dbraw/zinc/21/97/38/810219738.db2.gz WSYIHAGFTWNMRP-UHFFFAOYSA-N 1 2 281.359 3.226 20 30 CGEDLO COc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001184965020 810226121 /nfs/dbraw/zinc/22/61/21/810226121.db2.gz QLNCDRPAOKJHGF-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO C#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184965008 810226294 /nfs/dbraw/zinc/22/62/94/810226294.db2.gz QFYPXOICOPUXES-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO Cc1c(C)c(C[NH+]2CC(CC#N)C2)ccc1Br ZINC001233217994 818542006 /nfs/dbraw/zinc/54/20/06/818542006.db2.gz AOGCBSBTYCUTKX-UHFFFAOYSA-N 1 2 293.208 3.411 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(OC)c(C#N)c1 ZINC001214995900 815473768 /nfs/dbraw/zinc/47/37/68/815473768.db2.gz TYECOOZFOAOABB-UHFFFAOYSA-N 1 2 269.304 3.104 20 30 CGEDLO N#Cc1c(Br)cccc1Nc1ccc(N)[nH+]c1 ZINC001201286829 811806852 /nfs/dbraw/zinc/80/68/52/811806852.db2.gz CASJZFVIJLISEA-UHFFFAOYSA-N 1 2 289.136 3.042 20 30 CGEDLO N#Cc1ncc(Nc2ccc[nH+]c2N2CCCCC2)cc1F ZINC001203050461 812229999 /nfs/dbraw/zinc/22/99/99/812229999.db2.gz SGPMHALOQVTBPR-UHFFFAOYSA-N 1 2 297.337 3.221 20 30 CGEDLO Cc1cc(CNC(=O)Nc2cc(C#N)ccc2C)cc(C)[nH+]1 ZINC001215556986 815534503 /nfs/dbraw/zinc/53/45/03/815534503.db2.gz WUIJOFBGBTZTOF-UHFFFAOYSA-N 1 2 294.358 3.200 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(OCCC)c2F)cc[nH+]1 ZINC001215568708 815536598 /nfs/dbraw/zinc/53/65/98/815536598.db2.gz UOGLYYDAUBJHGM-UHFFFAOYSA-N 1 2 288.297 3.295 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2nccs2)CC1 ZINC001204544173 812673616 /nfs/dbraw/zinc/67/36/16/812673616.db2.gz ILVDBWZSEGJRKR-UHFFFAOYSA-N 1 2 283.400 3.200 20 30 CGEDLO C#Cc1cc(Nc2c(F)c(C)ccc2OCC)cc[nH+]1 ZINC001215760734 815580641 /nfs/dbraw/zinc/58/06/41/815580641.db2.gz XRSMXRNDCANXNF-UHFFFAOYSA-N 1 2 270.307 3.075 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(F)cc1 ZINC001205980053 813150482 /nfs/dbraw/zinc/15/04/82/813150482.db2.gz CBEMDTXGJKISMJ-OAHLLOKOSA-N 1 2 270.332 3.223 20 30 CGEDLO C#CC[N@@H+](Cc1ccncc1OC)[C@@H]1CCc2ccccc21 ZINC001206479991 813331569 /nfs/dbraw/zinc/33/15/69/813331569.db2.gz DPZAAJUITTWSKY-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO C#CC[N@H+](Cc1ccncc1OC)[C@@H]1CCc2ccccc21 ZINC001206479991 813331575 /nfs/dbraw/zinc/33/15/75/813331575.db2.gz DPZAAJUITTWSKY-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(=O)OCC ZINC001207334827 813543110 /nfs/dbraw/zinc/54/31/10/813543110.db2.gz VJIYVDNJCBHKPJ-BBWFWOEESA-N 1 2 287.403 3.278 20 30 CGEDLO COC(C)(C)CCC[C@@H](C)CC[NH+]1CC(C)(C#N)C1 ZINC001208202772 813744319 /nfs/dbraw/zinc/74/43/19/813744319.db2.gz NJRBEHKXVUVWQK-CQSZACIVSA-N 1 2 266.429 3.453 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC=CO1 ZINC001208873938 813877451 /nfs/dbraw/zinc/87/74/51/813877451.db2.gz OFTLIXZNJHXHPL-INIZCTEOSA-N 1 2 256.349 3.095 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC=CO1 ZINC001208873938 813877462 /nfs/dbraw/zinc/87/74/62/813877462.db2.gz OFTLIXZNJHXHPL-INIZCTEOSA-N 1 2 256.349 3.095 20 30 CGEDLO N#CCC[N@H+](Cc1cc2c(cn1)OCCC2)C1CCCC1 ZINC001209502422 814063861 /nfs/dbraw/zinc/06/38/61/814063861.db2.gz FOSPMZAEZKBDOV-UHFFFAOYSA-N 1 2 285.391 3.065 20 30 CGEDLO N#CCC[N@@H+](Cc1cc2c(cn1)OCCC2)C1CCCC1 ZINC001209502422 814063870 /nfs/dbraw/zinc/06/38/70/814063870.db2.gz FOSPMZAEZKBDOV-UHFFFAOYSA-N 1 2 285.391 3.065 20 30 CGEDLO N#Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)cs1 ZINC001209926945 814201760 /nfs/dbraw/zinc/20/17/60/814201760.db2.gz HMKGAPHGEWBIEL-UHFFFAOYSA-N 1 2 299.399 3.196 20 30 CGEDLO Nc1ccccc1C(=NO)Nc1ccc2c[nH+]ccc2c1 ZINC001210048677 814265529 /nfs/dbraw/zinc/26/55/29/814265529.db2.gz OZQKTVLBYFRJPJ-UHFFFAOYSA-N 1 2 278.315 3.065 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2cc(F)c3c(c2)C[N@@H+](C)CC3)C1 ZINC001242743418 823119589 /nfs/dbraw/zinc/11/95/89/823119589.db2.gz SAUAHLPVDLCRMS-NSHDSACASA-N 1 2 273.351 3.196 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2cc(F)c3c(c2)C[N@H+](C)CC3)C1 ZINC001242743418 823119590 /nfs/dbraw/zinc/11/95/90/823119590.db2.gz SAUAHLPVDLCRMS-NSHDSACASA-N 1 2 273.351 3.196 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C#N)cc2C)c[nH+]1 ZINC001210375292 814430154 /nfs/dbraw/zinc/43/01/54/814430154.db2.gz ZCSRGDRPRUBSCM-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO Cc1cc(C#N)cc(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC001210390339 814439596 /nfs/dbraw/zinc/43/95/96/814439596.db2.gz RNVORXOKAGRBBQ-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO Cc1cc(Cl)cc([NH+]=C(NO)c2ccccc2N)c1 ZINC001210464010 814470787 /nfs/dbraw/zinc/47/07/87/814470787.db2.gz KVOFANOOXZAKAP-UHFFFAOYSA-N 1 2 275.739 3.288 20 30 CGEDLO COc1cc(Nc2ccc(C#N)c(C)c2)cc(C)[nH+]1 ZINC001210780154 814626313 /nfs/dbraw/zinc/62/63/13/814626313.db2.gz CSUXJWOJZWSTAB-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc(Nc2cc(Cl)cnc2C#N)cc(C)[nH+]1 ZINC001210780305 814626467 /nfs/dbraw/zinc/62/64/67/814626467.db2.gz OJLNWDQKLZDRCE-UHFFFAOYSA-N 1 2 274.711 3.062 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)c(O)c(Cl)c2)cc[nH+]1 ZINC001210923311 814676219 /nfs/dbraw/zinc/67/62/19/814676219.db2.gz PUYJFFCTPYXVDF-UHFFFAOYSA-N 1 2 279.126 3.241 20 30 CGEDLO C#Cc1cc(Nc2c(Cl)cc(CO)cc2Cl)cc[nH+]1 ZINC001216361494 815799008 /nfs/dbraw/zinc/79/90/08/815799008.db2.gz JIAZGXWYZFBCTD-UHFFFAOYSA-N 1 2 293.153 3.028 20 30 CGEDLO CC(C)(C)c1cccc(C#N)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218010385 816050747 /nfs/dbraw/zinc/05/07/47/816050747.db2.gz NVBVWKNBWFILGP-ZDUSSCGKSA-N 1 2 294.345 3.232 20 30 CGEDLO CC#Cc1cncc(-c2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001242941984 823181936 /nfs/dbraw/zinc/18/19/36/823181936.db2.gz LJKUJBIOQFIAAE-UHFFFAOYSA-N 1 2 277.302 3.445 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(C#C[Si](C)(C)C)cc1 ZINC001243067356 823234445 /nfs/dbraw/zinc/23/44/45/823234445.db2.gz JUMZWVJNBRZYCN-UHFFFAOYSA-N 1 2 254.409 3.316 20 30 CGEDLO C=C[C@@H](CC)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704620 817441172 /nfs/dbraw/zinc/44/11/72/817441172.db2.gz MBBJXTRDUDVBMH-HNNXBMFYSA-N 1 2 297.402 3.311 20 30 CGEDLO C=C[C@@H](CC)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704620 817441177 /nfs/dbraw/zinc/44/11/77/817441177.db2.gz MBBJXTRDUDVBMH-HNNXBMFYSA-N 1 2 297.402 3.311 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccnc(C(F)F)c1)C2 ZINC001231887609 818204303 /nfs/dbraw/zinc/20/43/03/818204303.db2.gz WYUKQCIBHWFKOX-UHFFFAOYSA-N 1 2 299.324 3.449 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccnc(C(F)F)c1)C2 ZINC001231887609 818204311 /nfs/dbraw/zinc/20/43/11/818204311.db2.gz WYUKQCIBHWFKOX-UHFFFAOYSA-N 1 2 299.324 3.449 20 30 CGEDLO C[N@H+](CCc1ccccc1F)Cc1cc(C#N)ccc1O ZINC001232677340 818416793 /nfs/dbraw/zinc/41/67/93/818416793.db2.gz BAGHIGPDHMRHKT-UHFFFAOYSA-N 1 2 284.334 3.077 20 30 CGEDLO C[N@@H+](CCc1ccccc1F)Cc1cc(C#N)ccc1O ZINC001232677340 818416799 /nfs/dbraw/zinc/41/67/99/818416799.db2.gz BAGHIGPDHMRHKT-UHFFFAOYSA-N 1 2 284.334 3.077 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cc(Cl)cc2OC)C1 ZINC001233003712 818496701 /nfs/dbraw/zinc/49/67/01/818496701.db2.gz RNVUDLUFNKOHFR-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)cc(Cl)cc2OC)C1 ZINC001233003712 818496705 /nfs/dbraw/zinc/49/67/05/818496705.db2.gz RNVUDLUFNKOHFR-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO C=CC[N@@H+](C)Cc1c(F)cc(Br)cc1OC ZINC001233067199 818517537 /nfs/dbraw/zinc/51/75/37/818517537.db2.gz SFSHXGLIGVYSGM-UHFFFAOYSA-N 1 2 288.160 3.215 20 30 CGEDLO C=CC[N@H+](C)Cc1c(F)cc(Br)cc1OC ZINC001233067199 818517543 /nfs/dbraw/zinc/51/75/43/818517543.db2.gz SFSHXGLIGVYSGM-UHFFFAOYSA-N 1 2 288.160 3.215 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(F)c(F)cc1N)C1CCCC1 ZINC001233380389 818605096 /nfs/dbraw/zinc/60/50/96/818605096.db2.gz OCXCIAKLQGRRSU-UHFFFAOYSA-N 1 2 279.334 3.205 20 30 CGEDLO N#CCC[N@H+](Cc1cc(F)c(F)cc1N)C1CCCC1 ZINC001233380389 818605103 /nfs/dbraw/zinc/60/51/03/818605103.db2.gz OCXCIAKLQGRRSU-UHFFFAOYSA-N 1 2 279.334 3.205 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235121593 819011590 /nfs/dbraw/zinc/01/15/90/819011590.db2.gz NFVXCXQGBWUYLL-OAHLLOKOSA-N 1 2 279.343 3.219 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235121593 819011596 /nfs/dbraw/zinc/01/15/96/819011596.db2.gz NFVXCXQGBWUYLL-OAHLLOKOSA-N 1 2 279.343 3.219 20 30 CGEDLO Cc1ccnc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001235586790 819124401 /nfs/dbraw/zinc/12/44/01/819124401.db2.gz WGGXPUITRPADNG-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccnc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC001235586790 819124406 /nfs/dbraw/zinc/12/44/06/819124406.db2.gz WGGXPUITRPADNG-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO N#Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC001236532515 819525022 /nfs/dbraw/zinc/52/50/22/819525022.db2.gz XDQBPZHIKLHGSW-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO COc1ccc2sc(C[N@@H+]3CC[C@H](C#N)C3)cc2c1 ZINC001236661077 819566303 /nfs/dbraw/zinc/56/63/03/819566303.db2.gz GOQNUCJFHNXYAK-LLVKDONJSA-N 1 2 272.373 3.255 20 30 CGEDLO COc1ccc2sc(C[N@H+]3CC[C@H](C#N)C3)cc2c1 ZINC001236661077 819566306 /nfs/dbraw/zinc/56/63/06/819566306.db2.gz GOQNUCJFHNXYAK-LLVKDONJSA-N 1 2 272.373 3.255 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(O)c1Cl ZINC001236810906 819604011 /nfs/dbraw/zinc/60/40/11/819604011.db2.gz DXNUIXCDVDYXPP-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(O)c1Cl ZINC001236810906 819604013 /nfs/dbraw/zinc/60/40/13/819604013.db2.gz DXNUIXCDVDYXPP-LLVKDONJSA-N 1 2 294.782 3.180 20 30 CGEDLO CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001237400966 819743156 /nfs/dbraw/zinc/74/31/56/819743156.db2.gz NTJILQNURMUYSM-GOSISDBHSA-N 1 2 299.418 3.407 20 30 CGEDLO CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001237400966 819743159 /nfs/dbraw/zinc/74/31/59/819743159.db2.gz NTJILQNURMUYSM-GOSISDBHSA-N 1 2 299.418 3.407 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001237799545 819846295 /nfs/dbraw/zinc/84/62/95/819846295.db2.gz RRFDCHOYFWAXFA-CGJHYDBRSA-N 1 2 294.757 3.451 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001237799545 819846304 /nfs/dbraw/zinc/84/63/04/819846304.db2.gz RRFDCHOYFWAXFA-CGJHYDBRSA-N 1 2 294.757 3.451 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(C2CC2)cnc1OC ZINC001238028271 819916689 /nfs/dbraw/zinc/91/66/89/819916689.db2.gz KXZWFEHOGFGYBQ-UHFFFAOYSA-N 1 2 258.365 3.142 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1F ZINC001238250835 819967746 /nfs/dbraw/zinc/96/77/46/819967746.db2.gz USRRUPHCLBKBOF-UHFFFAOYSA-N 1 2 263.209 3.049 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1F ZINC001238250835 819967756 /nfs/dbraw/zinc/96/77/56/819967756.db2.gz USRRUPHCLBKBOF-UHFFFAOYSA-N 1 2 263.209 3.049 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3c(c2)CCO3)cc1C#N ZINC001239805501 820620449 /nfs/dbraw/zinc/62/04/49/820620449.db2.gz BOANFFQBIMKRJH-UDWIEESQSA-N 1 2 291.354 3.382 20 30 CGEDLO N#Cc1cnc(-c2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC001240214622 820884072 /nfs/dbraw/zinc/88/40/72/820884072.db2.gz OMVLHTZALBUHPV-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)ncc1C(F)(F)F ZINC001240214922 820884313 /nfs/dbraw/zinc/88/43/13/820884313.db2.gz RFOVNWMYUCYMNM-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO Cc1cc(-c2ccc3[nH+]ccn3c2)cc(F)c1C#N ZINC001240218245 820892857 /nfs/dbraw/zinc/89/28/57/820892857.db2.gz HRENLIGGJCZXPT-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#Cc1cc2cc(-c3ccn4cc[nH+]c4c3)ccc2[nH]1 ZINC001240511028 821104833 /nfs/dbraw/zinc/10/48/33/821104833.db2.gz ZIOGCLJIJAWYHI-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(O)c(F)c2)cc1C#N ZINC001240787406 821329638 /nfs/dbraw/zinc/32/96/38/821329638.db2.gz CIRVSOFDSIYZQY-VXLYETTFSA-N 1 2 283.306 3.291 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1N[C@@H]1CCC[C@H](C#N)C1 ZINC001339288571 936364725 /nfs/dbraw/zinc/36/47/25/936364725.db2.gz QLSDBUSHPAJGED-QWHCGFSZSA-N 1 2 259.353 3.363 20 30 CGEDLO C=C(CC(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001346370000 936846948 /nfs/dbraw/zinc/84/69/48/936846948.db2.gz XFPAWKBVZFZEQD-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\COc2c(C)ccc(C)c2C1=O ZINC001350599740 936995261 /nfs/dbraw/zinc/99/52/61/936995261.db2.gz KUBONALRWZUBGI-NTUHNPAUSA-N 1 2 282.343 3.179 20 30 CGEDLO Cc1ccc(N[C@@H](C)c2cc(C#N)ccn2)c(C)[nH+]1 ZINC001353932863 926942303 /nfs/dbraw/zinc/94/23/03/926942303.db2.gz NFPZGGZYVQAVOF-LBPRGKRZSA-N 1 2 252.321 3.138 20 30 CGEDLO C=CC(C)(C)C(=O)NC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001481575708 927028432 /nfs/dbraw/zinc/02/84/32/927028432.db2.gz BLNHPISJUUMLCC-UHFFFAOYSA-N 1 2 298.430 3.077 20 30 CGEDLO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)[nH+]c2cc[nH]c21 ZINC001167846396 927031633 /nfs/dbraw/zinc/03/16/33/927031633.db2.gz ZWXQBHZDXXFDDZ-HAQNSBGRSA-N 1 2 254.337 3.366 20 30 CGEDLO C#Cc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000809652403 928140826 /nfs/dbraw/zinc/14/08/26/928140826.db2.gz UQCQIOSYQHCCGX-LBPRGKRZSA-N 1 2 283.375 3.199 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)n1 ZINC001460846386 937548982 /nfs/dbraw/zinc/54/89/82/937548982.db2.gz DKNXWFOWAUOQNJ-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(Cl)n1 ZINC001460846386 937548984 /nfs/dbraw/zinc/54/89/84/937548984.db2.gz DKNXWFOWAUOQNJ-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115456 931956099 /nfs/dbraw/zinc/95/60/99/931956099.db2.gz AZGQOIOOIPCCKM-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115456 931956106 /nfs/dbraw/zinc/95/61/06/931956106.db2.gz AZGQOIOOIPCCKM-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001460915620 937552405 /nfs/dbraw/zinc/55/24/05/937552405.db2.gz OHOVYMUQUHXUPA-AWEZNQCLSA-N 1 2 299.349 3.172 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001460915620 937552407 /nfs/dbraw/zinc/55/24/07/937552407.db2.gz OHOVYMUQUHXUPA-AWEZNQCLSA-N 1 2 299.349 3.172 20 30 CGEDLO N#Cc1cc(-c2ccn3cc(N)[nH+]c3c2)ccc1Cl ZINC001240400647 932697424 /nfs/dbraw/zinc/69/74/24/932697424.db2.gz MGRUQHVXGOLFDH-UHFFFAOYSA-N 1 2 268.707 3.109 20 30 CGEDLO C#CC[C@@H]([NH2+]C1CCC(C(C)(C)CC)CC1)C(=O)OC ZINC001308811881 933181554 /nfs/dbraw/zinc/18/15/54/933181554.db2.gz CRLCHXZHSJTFFR-YMAMQOFZSA-N 1 2 279.424 3.136 20 30 CGEDLO C#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)c(Cl)c1 ZINC001463161426 937668065 /nfs/dbraw/zinc/66/80/65/937668065.db2.gz VIQFOBJOVUZYED-UHFFFAOYSA-N 1 2 295.729 3.221 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@H]2CCCC[C@H]2C)C1 ZINC001318179204 933691521 /nfs/dbraw/zinc/69/15/21/933691521.db2.gz HAOHCDYQPXCOFX-IUODEOHRSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C[C@@H]2CCCC[C@@H]2C)C1 ZINC001318179206 933692019 /nfs/dbraw/zinc/69/20/19/933692019.db2.gz HAOHCDYQPXCOFX-WFASDCNBSA-N 1 2 298.858 3.003 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1=S ZINC001320525388 934059662 /nfs/dbraw/zinc/05/96/62/934059662.db2.gz KPFWQFBUVYYOAB-ZDUSSCGKSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1=S ZINC001320525388 934059665 /nfs/dbraw/zinc/05/96/65/934059665.db2.gz KPFWQFBUVYYOAB-ZDUSSCGKSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[NH+]2CCC(C)(C(C)C)CC2)c1=S ZINC001321471404 934188788 /nfs/dbraw/zinc/18/87/88/934188788.db2.gz RUAJEMUWESQZBW-UHFFFAOYSA-N 1 2 294.468 3.316 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@](C)(F)CCCC ZINC001322191580 934257108 /nfs/dbraw/zinc/25/71/08/934257108.db2.gz CBAOCGHVRUPFQZ-TZMCWYRMSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@](C)(F)CCCC ZINC001322191580 934257116 /nfs/dbraw/zinc/25/71/16/934257116.db2.gz CBAOCGHVRUPFQZ-TZMCWYRMSA-N 1 2 292.826 3.094 20 30 CGEDLO Cc1cc(C)c(CNc2nc3ncccc3cc2C#N)c[nH+]1 ZINC001472805991 937785110 /nfs/dbraw/zinc/78/51/10/937785110.db2.gz WIIIMMKUMWAJEO-UHFFFAOYSA-N 1 2 289.342 3.125 20 30 CGEDLO CCCCCCC[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC001473392800 937804587 /nfs/dbraw/zinc/80/45/87/937804587.db2.gz LMVQZKWEKNAKED-PBHICJAKSA-N 1 2 299.455 3.293 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001326382223 934975638 /nfs/dbraw/zinc/97/56/38/934975638.db2.gz PYZPDZVJZHOEMU-WFASDCNBSA-N 1 2 279.355 3.027 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccsc1)C(=O)OCC ZINC001326380098 934975978 /nfs/dbraw/zinc/97/59/78/934975978.db2.gz FHGDDGNZRKPBGE-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO C=C(C)CC[NH2+][C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001473685073 937816810 /nfs/dbraw/zinc/81/68/10/937816810.db2.gz HGBPTSNEGACBCP-INIZCTEOSA-N 1 2 295.810 3.370 20 30 CGEDLO N#Cc1cnccc1C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001328160125 935121434 /nfs/dbraw/zinc/12/14/34/935121434.db2.gz GMOTVQAUGLKFEO-UHFFFAOYSA-N 1 2 292.386 3.030 20 30 CGEDLO COc1cccc2c1C/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC001334767413 936112784 /nfs/dbraw/zinc/11/27/84/936112784.db2.gz IACGEMSQOSVTQZ-GHXNOFRVSA-N 1 2 282.343 3.295 20 30 CGEDLO CC[C@@H]([NH2+]C/C=C/C1CC1)c1cccc(C#N)c1O ZINC001335282717 936136519 /nfs/dbraw/zinc/13/65/19/936136519.db2.gz XALYTOTZYIWSNB-MBVDDHJVSA-N 1 2 256.349 3.271 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccccc1N1CCCC1)C1CC1 ZINC001337042227 936233892 /nfs/dbraw/zinc/23/38/92/936233892.db2.gz IBHNCWPNPLONOS-HNNXBMFYSA-N 1 2 283.419 3.411 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccc1N1CCCC1)C1CC1 ZINC001337042227 936233895 /nfs/dbraw/zinc/23/38/95/936233895.db2.gz IBHNCWPNPLONOS-HNNXBMFYSA-N 1 2 283.419 3.411 20 30 CGEDLO N#Cc1cc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cs1 ZINC001474109592 937840977 /nfs/dbraw/zinc/84/09/77/937840977.db2.gz LGAOSGHQZGAEOR-LBPRGKRZSA-N 1 2 292.310 3.121 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2noc3cc(F)ccc32)c(F)c1 ZINC001474245691 937845878 /nfs/dbraw/zinc/84/58/78/937845878.db2.gz RRUQCISECYWGKW-UHFFFAOYSA-N 1 2 299.280 3.267 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001494893460 937956819 /nfs/dbraw/zinc/95/68/19/937956819.db2.gz YFYHTEHGWRRSGO-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001494893460 937956820 /nfs/dbraw/zinc/95/68/20/937956820.db2.gz YFYHTEHGWRRSGO-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO C#Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(Cl)c1 ZINC001538774482 938120646 /nfs/dbraw/zinc/12/06/46/938120646.db2.gz AIWPKCFYJKWRBX-LLVKDONJSA-N 1 2 287.750 3.108 20 30 CGEDLO C=CCN(CCc1ccco1)c1nc(C)[nH+]c2c1CCCC2 ZINC001559152693 938221174 /nfs/dbraw/zinc/22/11/74/938221174.db2.gz VYNATVDDORBONV-UHFFFAOYSA-N 1 2 297.402 3.492 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001559178003 938221783 /nfs/dbraw/zinc/22/17/83/938221783.db2.gz VEHDOEXZBKUFMT-GOEBONIOSA-N 1 2 287.407 3.446 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OCCC ZINC001559807396 938236477 /nfs/dbraw/zinc/23/64/77/938236477.db2.gz BXHSZOSXBCXAKR-HNNXBMFYSA-N 1 2 275.392 3.406 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OCCC ZINC001559807396 938236478 /nfs/dbraw/zinc/23/64/78/938236478.db2.gz BXHSZOSXBCXAKR-HNNXBMFYSA-N 1 2 275.392 3.406 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(F)c(C#N)c2)c[nH+]1 ZINC001176614557 957883241 /nfs/dbraw/zinc/88/32/41/957883241.db2.gz NGRGGWVCYAMTMX-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001567296051 961264144 /nfs/dbraw/zinc/26/41/44/961264144.db2.gz ZSEOOTISEXFGFV-LSDHHAIUSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001567296051 961264163 /nfs/dbraw/zinc/26/41/63/961264163.db2.gz ZSEOOTISEXFGFV-LSDHHAIUSA-N 1 2 298.858 3.003 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000124835761 187157604 /nfs/dbraw/zinc/15/76/04/187157604.db2.gz KHVVEGHVHBYPCJ-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000124835761 187157605 /nfs/dbraw/zinc/15/76/05/187157605.db2.gz KHVVEGHVHBYPCJ-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)C(C)(C)CO1 ZINC000589985367 346820174 /nfs/dbraw/zinc/82/01/74/346820174.db2.gz XSENFYPWZLRGPI-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)C(C)(C)CO1 ZINC000589985367 346820178 /nfs/dbraw/zinc/82/01/78/346820178.db2.gz XSENFYPWZLRGPI-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761180 398284367 /nfs/dbraw/zinc/28/43/67/398284367.db2.gz HWESSCDVJVJTSX-BMFZPTHFSA-N 1 2 282.391 3.229 20 30 CGEDLO Cc1ccc(NC(=O)c2cccc(C#N)c2C)c(C)[nH+]1 ZINC000337967482 214335167 /nfs/dbraw/zinc/33/51/67/214335167.db2.gz FVNGUKMYOVZEIM-UHFFFAOYSA-N 1 2 265.316 3.131 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(F)cccc1Br ZINC000192730871 529447992 /nfs/dbraw/zinc/44/79/92/529447992.db2.gz HWWRSFVMUGJCIP-VIFPVBQESA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1cc(NCc2ccc(OC(C)(C)C)cc2)c(C#N)c[nH+]1 ZINC000591818874 346938906 /nfs/dbraw/zinc/93/89/06/346938906.db2.gz VHRMARWEZOVSCY-UHFFFAOYSA-N 1 2 295.386 3.473 20 30 CGEDLO Cc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823095 346940005 /nfs/dbraw/zinc/94/00/05/346940005.db2.gz SXUNUYCFLYSDDZ-FUHWJXTLSA-N 1 2 293.370 3.016 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1snc(Cl)c1C#N ZINC000295010195 199297599 /nfs/dbraw/zinc/29/75/99/199297599.db2.gz PCGGCUHKHANFFF-UHFFFAOYSA-N 1 2 292.795 3.416 20 30 CGEDLO C[C@@H](c1cccs1)[N@H+](C)Cc1ccncc1C#N ZINC000592060505 346958121 /nfs/dbraw/zinc/95/81/21/346958121.db2.gz RBUYAROZGRDCNM-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccncc1C#N ZINC000592060505 346958123 /nfs/dbraw/zinc/95/81/23/346958123.db2.gz RBUYAROZGRDCNM-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccncc1C#N)c1cc(F)ccc1F ZINC000592097152 346962096 /nfs/dbraw/zinc/96/20/96/346962096.db2.gz DWLJFILDJWXZBM-INIZCTEOSA-N 1 2 287.313 3.472 20 30 CGEDLO Cc1cc(C)cc(C[N@@H+](C)Cc2ccncc2C#N)c1 ZINC000592116378 346964351 /nfs/dbraw/zinc/96/43/51/346964351.db2.gz KRAYJMKUTKPGNX-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1cc(C)cc(C[N@H+](C)Cc2ccncc2C#N)c1 ZINC000592116378 346964353 /nfs/dbraw/zinc/96/43/53/346964353.db2.gz KRAYJMKUTKPGNX-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000592499462 346994015 /nfs/dbraw/zinc/99/40/15/346994015.db2.gz DEEUSCRFIZKUSK-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000592499462 346994018 /nfs/dbraw/zinc/99/40/18/346994018.db2.gz DEEUSCRFIZKUSK-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO C=CC[N@@H+](Cc1c(C)noc1C)Cc1cccc(C#N)c1 ZINC000063300708 345244851 /nfs/dbraw/zinc/24/48/51/345244851.db2.gz ICBGODSBPUAGTD-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO C=CC[N@H+](Cc1c(C)noc1C)Cc1cccc(C#N)c1 ZINC000063300708 345244853 /nfs/dbraw/zinc/24/48/53/345244853.db2.gz ICBGODSBPUAGTD-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cccc[nH+]3)C2)c(F)c1 ZINC000068769033 345361885 /nfs/dbraw/zinc/36/18/85/345361885.db2.gz WYYDITSTDPBHGL-CQSZACIVSA-N 1 2 296.349 3.173 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000068766456 345361915 /nfs/dbraw/zinc/36/19/15/345361915.db2.gz BBLPQCDQTGCYGR-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068766456 345361918 /nfs/dbraw/zinc/36/19/18/345361918.db2.gz BBLPQCDQTGCYGR-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000093100029 345869131 /nfs/dbraw/zinc/86/91/31/345869131.db2.gz XSOCUGRTFBKZIW-UHFFFAOYSA-N 1 2 295.386 3.111 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000093100029 345869134 /nfs/dbraw/zinc/86/91/34/345869134.db2.gz XSOCUGRTFBKZIW-UHFFFAOYSA-N 1 2 295.386 3.111 20 30 CGEDLO C[N@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108852638 345939194 /nfs/dbraw/zinc/93/91/94/345939194.db2.gz RIDJVCFMAXHZHV-UHFFFAOYSA-N 1 2 281.359 3.057 20 30 CGEDLO C[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108852638 345939195 /nfs/dbraw/zinc/93/91/95/345939195.db2.gz RIDJVCFMAXHZHV-UHFFFAOYSA-N 1 2 281.359 3.057 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000123395237 346009010 /nfs/dbraw/zinc/00/90/10/346009010.db2.gz HPUSCWIVVLMYOO-UHFFFAOYSA-N 1 2 268.360 3.202 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc2ccccc2c1 ZINC000123395237 346009012 /nfs/dbraw/zinc/00/90/12/346009012.db2.gz HPUSCWIVVLMYOO-UHFFFAOYSA-N 1 2 268.360 3.202 20 30 CGEDLO COCc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000155403385 346153103 /nfs/dbraw/zinc/15/31/03/346153103.db2.gz RFMYWQPVDFAWPO-UHFFFAOYSA-N 1 2 288.322 3.069 20 30 CGEDLO COCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000155403385 346153108 /nfs/dbraw/zinc/15/31/08/346153108.db2.gz RFMYWQPVDFAWPO-UHFFFAOYSA-N 1 2 288.322 3.069 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCC1 ZINC000162736248 346179410 /nfs/dbraw/zinc/17/94/10/346179410.db2.gz CCJJTVNOJYJSBS-UHFFFAOYSA-N 1 2 280.331 3.099 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000220419314 346295713 /nfs/dbraw/zinc/29/57/13/346295713.db2.gz CIJSSBKBGHNGOW-SNVBAGLBSA-N 1 2 255.321 3.014 20 30 CGEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000220419383 346296224 /nfs/dbraw/zinc/29/62/24/346296224.db2.gz CIJSSBKBGHNGOW-JTQLQIEISA-N 1 2 255.321 3.014 20 30 CGEDLO CC(=[NH+]NC(=S)Nc1ccc(C)cc1)c1ccc(N)cc1 ZINC000254733704 346395773 /nfs/dbraw/zinc/39/57/73/346395773.db2.gz GAXXTEXSJRZAMB-UHFFFAOYSA-N 1 2 298.415 3.288 20 30 CGEDLO C[C@H]1C[C@@H](C[NH+]=Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000271347445 346411544 /nfs/dbraw/zinc/41/15/44/346411544.db2.gz KQTQGSQZEVGCQV-ISIGILQNSA-N 1 2 284.359 3.174 20 30 CGEDLO N#CC1(C[NH2+]Cc2conc2Cc2ccccc2)CCCC1 ZINC000593655122 347100770 /nfs/dbraw/zinc/10/07/70/347100770.db2.gz XDTYQHLSEGSCJX-UHFFFAOYSA-N 1 2 295.386 3.439 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000400414115 346589457 /nfs/dbraw/zinc/58/94/57/346589457.db2.gz ZMLDNEJZCNSPIK-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000400414115 346589461 /nfs/dbraw/zinc/58/94/61/346589461.db2.gz ZMLDNEJZCNSPIK-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000119171889 370651491 /nfs/dbraw/zinc/65/14/91/370651491.db2.gz SLPKIUNMYJXUOJ-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000119171889 370651496 /nfs/dbraw/zinc/65/14/96/370651496.db2.gz SLPKIUNMYJXUOJ-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000594733966 347214903 /nfs/dbraw/zinc/21/49/03/347214903.db2.gz JLQFOMOXRIWPQK-UHFFFAOYSA-N 1 2 271.339 3.163 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594995862 347252339 /nfs/dbraw/zinc/25/23/39/347252339.db2.gz UEGCGZCPIDOZLJ-UHFFFAOYSA-N 1 2 273.336 3.158 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000595623427 347329189 /nfs/dbraw/zinc/32/91/89/347329189.db2.gz PEKSTNVRGOPWNB-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000595623427 347329190 /nfs/dbraw/zinc/32/91/90/347329190.db2.gz PEKSTNVRGOPWNB-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595660740 347334420 /nfs/dbraw/zinc/33/44/20/347334420.db2.gz VSDAIDHGGHEXTM-GFCCVEGCSA-N 1 2 276.336 3.089 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595660740 347334422 /nfs/dbraw/zinc/33/44/22/347334422.db2.gz VSDAIDHGGHEXTM-GFCCVEGCSA-N 1 2 276.336 3.089 20 30 CGEDLO N#CCCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595659058 347334439 /nfs/dbraw/zinc/33/44/39/347334439.db2.gz MJGYNLKHMCNQLR-UHFFFAOYSA-N 1 2 298.217 3.419 20 30 CGEDLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595715814 347346432 /nfs/dbraw/zinc/34/64/32/347346432.db2.gz DZQGZGRLUGLLCT-HNNXBMFYSA-N 1 2 299.418 3.399 20 30 CGEDLO Cc1cccc(C)c1NC(=O)CCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595715814 347346434 /nfs/dbraw/zinc/34/64/34/347346434.db2.gz DZQGZGRLUGLLCT-HNNXBMFYSA-N 1 2 299.418 3.399 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(F)c1OC(F)F ZINC000595528691 347316196 /nfs/dbraw/zinc/31/61/96/347316196.db2.gz DGJYQANKNIXPFX-SNVBAGLBSA-N 1 2 272.270 3.209 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000596255394 347405504 /nfs/dbraw/zinc/40/55/04/347405504.db2.gz RAIQTLXYKQIWMO-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000596175286 347394489 /nfs/dbraw/zinc/39/44/89/347394489.db2.gz SGPUPACHYOXUEH-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1CC1CC1 ZINC000596996599 347525569 /nfs/dbraw/zinc/52/55/69/347525569.db2.gz VPZMMTJLKNLAHU-UHFFFAOYSA-N 1 2 274.412 3.055 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1CC1CC1 ZINC000596996599 347525573 /nfs/dbraw/zinc/52/55/73/347525573.db2.gz VPZMMTJLKNLAHU-UHFFFAOYSA-N 1 2 274.412 3.055 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000597082893 347534991 /nfs/dbraw/zinc/53/49/91/347534991.db2.gz NKVGSCXGAXPQAB-UHFFFAOYSA-N 1 2 272.270 3.066 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597172657 347543524 /nfs/dbraw/zinc/54/35/24/347543524.db2.gz CSIXUPPLZWGWKY-AWEZNQCLSA-N 1 2 280.375 3.202 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597172657 347543525 /nfs/dbraw/zinc/54/35/25/347543525.db2.gz CSIXUPPLZWGWKY-AWEZNQCLSA-N 1 2 280.375 3.202 20 30 CGEDLO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1OC(C)C ZINC000597230621 347558575 /nfs/dbraw/zinc/55/85/75/347558575.db2.gz SLJIQYWJBMHUDT-QGZVFWFLSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1OC(C)C ZINC000597230621 347558578 /nfs/dbraw/zinc/55/85/78/347558578.db2.gz SLJIQYWJBMHUDT-QGZVFWFLSA-N 1 2 288.391 3.218 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](C(F)F)C2CCCCC2)nc1 ZINC000598649306 347675729 /nfs/dbraw/zinc/67/57/29/347675729.db2.gz LTUPPXDNVQTFAX-AWEZNQCLSA-N 1 2 279.334 3.257 20 30 CGEDLO CC(C)(CCC#N)C[NH2+]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000599006539 347706324 /nfs/dbraw/zinc/70/63/24/347706324.db2.gz LVVPBZADXHORJQ-UHFFFAOYSA-N 1 2 284.363 3.320 20 30 CGEDLO CC(C)n1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679167 347765074 /nfs/dbraw/zinc/76/50/74/347765074.db2.gz QGBHXZGYRJMIGA-UHFFFAOYSA-N 1 2 294.402 3.088 20 30 CGEDLO CC(C)n1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679167 347765078 /nfs/dbraw/zinc/76/50/78/347765078.db2.gz QGBHXZGYRJMIGA-UHFFFAOYSA-N 1 2 294.402 3.088 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000600601238 347813121 /nfs/dbraw/zinc/81/31/21/347813121.db2.gz CIKDRKJTYQQZBZ-OAHLLOKOSA-N 1 2 293.382 3.102 20 30 CGEDLO N#CC1(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCCCC1 ZINC000601025164 347853225 /nfs/dbraw/zinc/85/32/25/347853225.db2.gz FVGJTOJUGZFDQQ-UHFFFAOYSA-N 1 2 294.358 3.033 20 30 CGEDLO COc1nc(C)cc(C)c1C[NH2+]Cc1cccc(F)c1C#N ZINC000602000800 347931804 /nfs/dbraw/zinc/93/18/04/347931804.db2.gz KTBIUESZHSKTOX-UHFFFAOYSA-N 1 2 299.349 3.008 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000602440354 347958207 /nfs/dbraw/zinc/95/82/07/347958207.db2.gz JARRPSJOJWMGOA-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000602440354 347958210 /nfs/dbraw/zinc/95/82/10/347958210.db2.gz JARRPSJOJWMGOA-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000602644143 347999973 /nfs/dbraw/zinc/99/99/73/347999973.db2.gz VJDAPHUXVIZQAQ-UHFFFAOYSA-N 1 2 299.599 3.496 20 30 CGEDLO CC[N@H+](CCC#N)Cc1oc(-c2ccccc2)nc1C ZINC000602781405 348028605 /nfs/dbraw/zinc/02/86/05/348028605.db2.gz WZAPOFQWIVLZQA-UHFFFAOYSA-N 1 2 269.348 3.386 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1oc(-c2ccccc2)nc1C ZINC000602781405 348028607 /nfs/dbraw/zinc/02/86/07/348028607.db2.gz WZAPOFQWIVLZQA-UHFFFAOYSA-N 1 2 269.348 3.386 20 30 CGEDLO C[N@H+](Cc1ccc(Br)cc1F)CC1(C#N)CC1 ZINC000602926442 348045320 /nfs/dbraw/zinc/04/53/20/348045320.db2.gz QWUHVBJESNPMBU-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C[N@@H+](Cc1ccc(Br)cc1F)CC1(C#N)CC1 ZINC000602926442 348045323 /nfs/dbraw/zinc/04/53/23/348045323.db2.gz QWUHVBJESNPMBU-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO Cc1c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976447 348048622 /nfs/dbraw/zinc/04/86/22/348048622.db2.gz PTSYMNNQCQLTEX-WFASDCNBSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976447 348048623 /nfs/dbraw/zinc/04/86/23/348048623.db2.gz PTSYMNNQCQLTEX-WFASDCNBSA-N 1 2 273.336 3.027 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976757 348048675 /nfs/dbraw/zinc/04/86/75/348048675.db2.gz SIHGBXRVCOHVNU-HIFRSBDPSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976757 348048676 /nfs/dbraw/zinc/04/86/76/348048676.db2.gz SIHGBXRVCOHVNU-HIFRSBDPSA-N 1 2 258.365 3.128 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000602979594 348050129 /nfs/dbraw/zinc/05/01/29/348050129.db2.gz GGSATPDRXFFUNN-WFASDCNBSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000602979594 348050133 /nfs/dbraw/zinc/05/01/33/348050133.db2.gz GGSATPDRXFFUNN-WFASDCNBSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602980305 348050207 /nfs/dbraw/zinc/05/02/07/348050207.db2.gz OKTRWJZFQKLANQ-GDBMZVCRSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602980305 348050209 /nfs/dbraw/zinc/05/02/09/348050209.db2.gz OKTRWJZFQKLANQ-GDBMZVCRSA-N 1 2 272.779 3.316 20 30 CGEDLO CCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000604493107 348121520 /nfs/dbraw/zinc/12/15/20/348121520.db2.gz GTPADIUGKGQQAG-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO CCc1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000604493107 348121522 /nfs/dbraw/zinc/12/15/22/348121522.db2.gz GTPADIUGKGQQAG-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000610391782 348380569 /nfs/dbraw/zinc/38/05/69/348380569.db2.gz QJWCVRMAVLMCPJ-UHFFFAOYSA-N 1 2 274.408 3.247 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000610391782 348380570 /nfs/dbraw/zinc/38/05/70/348380570.db2.gz QJWCVRMAVLMCPJ-UHFFFAOYSA-N 1 2 274.408 3.247 20 30 CGEDLO C=CCCC[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000609798429 348353278 /nfs/dbraw/zinc/35/32/78/348353278.db2.gz BUAOYHWVTGLROH-UHFFFAOYSA-N 1 2 281.783 3.281 20 30 CGEDLO C=CCCC[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000609798429 348353282 /nfs/dbraw/zinc/35/32/82/348353282.db2.gz BUAOYHWVTGLROH-UHFFFAOYSA-N 1 2 281.783 3.281 20 30 CGEDLO COCC[N@@H+](C/C=C/c1ccc(Cl)cc1)CCC#N ZINC000611268713 348432762 /nfs/dbraw/zinc/43/27/62/348432762.db2.gz HBIGWMOOAHRPPW-DUXPYHPUSA-N 1 2 278.783 3.215 20 30 CGEDLO COCC[N@H+](C/C=C/c1ccc(Cl)cc1)CCC#N ZINC000611268713 348432765 /nfs/dbraw/zinc/43/27/65/348432765.db2.gz HBIGWMOOAHRPPW-DUXPYHPUSA-N 1 2 278.783 3.215 20 30 CGEDLO C=CC(C)(C)CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000624179009 349993376 /nfs/dbraw/zinc/99/33/76/349993376.db2.gz IRQCNHZWUYWAHT-UHFFFAOYSA-N 1 2 275.396 3.100 20 30 CGEDLO COc1ccc(N[C@@H](C)c2cccc(C#N)c2)[nH+]c1 ZINC000611475613 348454627 /nfs/dbraw/zinc/45/46/27/348454627.db2.gz JUDNVEGTFSGKQQ-NSHDSACASA-N 1 2 253.305 3.135 20 30 CGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166955 348499078 /nfs/dbraw/zinc/49/90/78/348499078.db2.gz YQVDZPPEUBZYJG-WFASDCNBSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166955 348499081 /nfs/dbraw/zinc/49/90/81/348499081.db2.gz YQVDZPPEUBZYJG-WFASDCNBSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000612167558 348499289 /nfs/dbraw/zinc/49/92/89/348499289.db2.gz PBBJADJWMQSMDW-OAHLLOKOSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000612167558 348499290 /nfs/dbraw/zinc/49/92/90/348499290.db2.gz PBBJADJWMQSMDW-OAHLLOKOSA-N 1 2 278.783 3.344 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000612407134 348517541 /nfs/dbraw/zinc/51/75/41/348517541.db2.gz ZIDJOZCZOJKTAY-HNNXBMFYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000612407134 348517543 /nfs/dbraw/zinc/51/75/43/348517543.db2.gz ZIDJOZCZOJKTAY-HNNXBMFYSA-N 1 2 273.336 3.029 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000616731767 348876478 /nfs/dbraw/zinc/87/64/78/348876478.db2.gz IZWUIGCSOXJEQZ-KRWDZBQOSA-N 1 2 286.423 3.052 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000616731767 348876481 /nfs/dbraw/zinc/87/64/81/348876481.db2.gz IZWUIGCSOXJEQZ-KRWDZBQOSA-N 1 2 286.423 3.052 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000617782715 349011640 /nfs/dbraw/zinc/01/16/40/349011640.db2.gz LBVYWLUKHGXUSB-HNNXBMFYSA-N 1 2 297.402 3.159 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1(C(F)F)CC1 ZINC000619724699 349279454 /nfs/dbraw/zinc/27/94/54/349279454.db2.gz ZHMYHAVQIFNBFB-ZDUSSCGKSA-N 1 2 262.303 3.323 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624257006 350011674 /nfs/dbraw/zinc/01/16/74/350011674.db2.gz PTOVESUAWKAZAT-CJNGLKHVSA-N 1 2 294.358 3.028 20 30 CGEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000271399953 191116767 /nfs/dbraw/zinc/11/67/67/191116767.db2.gz LKSRPZUAEGBVHN-UHFFFAOYSA-N 1 2 254.333 3.001 20 30 CGEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)C1CC1 ZINC000271399953 191116769 /nfs/dbraw/zinc/11/67/69/191116769.db2.gz LKSRPZUAEGBVHN-UHFFFAOYSA-N 1 2 254.333 3.001 20 30 CGEDLO C=CCCC(C)(C)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633654780 351340190 /nfs/dbraw/zinc/34/01/90/351340190.db2.gz UNRBDPIKYOVYOZ-UHFFFAOYSA-N 1 2 297.402 3.276 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C1CC1 ZINC000271446351 191141913 /nfs/dbraw/zinc/14/19/13/191141913.db2.gz NITYCTYBBSBYCN-UHFFFAOYSA-N 1 2 287.338 3.335 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C1CC1 ZINC000271446351 191141914 /nfs/dbraw/zinc/14/19/14/191141914.db2.gz NITYCTYBBSBYCN-UHFFFAOYSA-N 1 2 287.338 3.335 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271455067 191146888 /nfs/dbraw/zinc/14/68/88/191146888.db2.gz GMFGYXGPSIOKRP-LBPRGKRZSA-N 1 2 290.798 3.287 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000292144979 198180253 /nfs/dbraw/zinc/18/02/53/198180253.db2.gz JOOYALHROCCPMB-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000292144979 198180254 /nfs/dbraw/zinc/18/02/54/198180254.db2.gz JOOYALHROCCPMB-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156918690 188287997 /nfs/dbraw/zinc/28/79/97/188287997.db2.gz JTKUVBZVMVAWOR-LBPRGKRZSA-N 1 2 296.292 3.171 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156918690 188287998 /nfs/dbraw/zinc/28/79/98/188287998.db2.gz JTKUVBZVMVAWOR-LBPRGKRZSA-N 1 2 296.292 3.171 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(C)c(C)o1)c1ccccc1 ZINC000271698203 191281486 /nfs/dbraw/zinc/28/14/86/191281486.db2.gz MABMKARYJJGAGW-HNNXBMFYSA-N 1 2 254.333 3.146 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1nc2c(cc1C#N)CCCC2 ZINC000295726065 199636930 /nfs/dbraw/zinc/63/69/30/199636930.db2.gz LMPMWGSBYYKRHI-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336366941 213217869 /nfs/dbraw/zinc/21/78/69/213217869.db2.gz ODLYNWGZPIUXFK-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336366941 213217873 /nfs/dbraw/zinc/21/78/73/213217873.db2.gz ODLYNWGZPIUXFK-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cc1cc(N2CCC(OCCC(C)C)CC2)c(C#N)c[nH+]1 ZINC000425207614 236220807 /nfs/dbraw/zinc/22/08/07/236220807.db2.gz NGRHXFXVEANBSK-UHFFFAOYSA-N 1 2 287.407 3.293 20 30 CGEDLO COc1ccccc1[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425236302 236221918 /nfs/dbraw/zinc/22/19/18/236221918.db2.gz PWWJRBSDRUCWHG-CQSZACIVSA-N 1 2 293.370 3.264 20 30 CGEDLO Cc1cc(N(C)Cc2ccc(F)c(C)c2)c(C#N)c[nH+]1 ZINC000425252721 236223195 /nfs/dbraw/zinc/22/31/95/236223195.db2.gz BUPITHSKVVHXJX-UHFFFAOYSA-N 1 2 269.323 3.346 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425529165 236257392 /nfs/dbraw/zinc/25/73/92/236257392.db2.gz ATOJTPGHSPASQU-SECBINFHSA-N 1 2 292.289 3.072 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425529165 236257393 /nfs/dbraw/zinc/25/73/93/236257393.db2.gz ATOJTPGHSPASQU-SECBINFHSA-N 1 2 292.289 3.072 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000178792881 189146455 /nfs/dbraw/zinc/14/64/55/189146455.db2.gz IUAUCENXTCAMJD-HNNXBMFYSA-N 1 2 288.322 3.076 20 30 CGEDLO N#Cc1cccc(Cn2c[nH+]c3cc(F)c(F)cc32)c1F ZINC000218803825 376190121 /nfs/dbraw/zinc/19/01/21/376190121.db2.gz UZPDHRDWMXDQAA-UHFFFAOYSA-N 1 2 287.244 3.374 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000335663996 212381799 /nfs/dbraw/zinc/38/17/99/212381799.db2.gz ZSOSXPAALOWWMK-UHFFFAOYSA-N 1 2 283.400 3.394 20 30 CGEDLO COc1ccc(OC(F)F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000123713179 370915206 /nfs/dbraw/zinc/91/52/06/370915206.db2.gz NXCDSIFHJVXPFK-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1c(C)c[nH+]c(COc2ccccc2C#N)c1C ZINC000019844430 368772877 /nfs/dbraw/zinc/77/28/77/368772877.db2.gz ZLZUGWYNNFYSCX-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO C[C@]1(F)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492745366 244017225 /nfs/dbraw/zinc/01/72/25/244017225.db2.gz IEAWJXRNYZXKLC-ZDUSSCGKSA-N 1 2 297.171 3.255 20 30 CGEDLO C[C@]1(F)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492745366 244017230 /nfs/dbraw/zinc/01/72/30/244017230.db2.gz IEAWJXRNYZXKLC-ZDUSSCGKSA-N 1 2 297.171 3.255 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000057846714 369548830 /nfs/dbraw/zinc/54/88/30/369548830.db2.gz BSBSSOISOWVAAP-SNVBAGLBSA-N 1 2 272.270 3.319 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000057846714 369548832 /nfs/dbraw/zinc/54/88/32/369548832.db2.gz BSBSSOISOWVAAP-SNVBAGLBSA-N 1 2 272.270 3.319 20 30 CGEDLO N#Cc1cnc(Nc2ccc([NH+]3CCCCC3)cc2)cn1 ZINC000071179087 369809340 /nfs/dbraw/zinc/80/93/40/369809340.db2.gz VFTUMHRETWZXBI-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](C#N)CCC#N ZINC000078316010 369951214 /nfs/dbraw/zinc/95/12/14/369951214.db2.gz MSBZFHRAPKLGQW-ZDUSSCGKSA-N 1 2 261.756 3.215 20 30 CGEDLO C[N@H+](Cc1cccc(Cl)c1)C[C@H](C#N)CCC#N ZINC000078316010 369951219 /nfs/dbraw/zinc/95/12/19/369951219.db2.gz MSBZFHRAPKLGQW-ZDUSSCGKSA-N 1 2 261.756 3.215 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1OC(C)C)C[C@H](C)C#N ZINC000091983702 370085499 /nfs/dbraw/zinc/08/54/99/370085499.db2.gz PQXRHFXGLHCIOB-CQSZACIVSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1OC(C)C)C[C@H](C)C#N ZINC000091983702 370085502 /nfs/dbraw/zinc/08/55/02/370085502.db2.gz PQXRHFXGLHCIOB-CQSZACIVSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)C[C@@H](C)C#N ZINC000091983341 370085933 /nfs/dbraw/zinc/08/59/33/370085933.db2.gz SAZXLGFMHVEQFH-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C[C@@H](C)C#N ZINC000091983341 370085938 /nfs/dbraw/zinc/08/59/38/370085938.db2.gz SAZXLGFMHVEQFH-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](CC#N)C[C@H](C)c1cccc(Br)c1 ZINC000092399146 370096644 /nfs/dbraw/zinc/09/66/44/370096644.db2.gz JGSFZAMWEHNSPQ-NSHDSACASA-N 1 2 281.197 3.398 20 30 CGEDLO CC[N@@H+](CC#N)C[C@H](C)c1cccc(Br)c1 ZINC000092399146 370096645 /nfs/dbraw/zinc/09/66/45/370096645.db2.gz JGSFZAMWEHNSPQ-NSHDSACASA-N 1 2 281.197 3.398 20 30 CGEDLO Cc1ncsc1C[N@@H+](CCC#N)CCC(C)C ZINC000093100928 370109411 /nfs/dbraw/zinc/10/94/11/370109411.db2.gz OFBHUSGLNVHAPJ-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO Cc1ncsc1C[N@H+](CCC#N)CCC(C)C ZINC000093100928 370109413 /nfs/dbraw/zinc/10/94/13/370109413.db2.gz OFBHUSGLNVHAPJ-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000103469494 370329589 /nfs/dbraw/zinc/32/95/89/370329589.db2.gz INNFVEURCZBFFL-UHFFFAOYSA-N 1 2 297.761 3.043 20 30 CGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000103469494 370329594 /nfs/dbraw/zinc/32/95/94/370329594.db2.gz INNFVEURCZBFFL-UHFFFAOYSA-N 1 2 297.761 3.043 20 30 CGEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000130166172 371015548 /nfs/dbraw/zinc/01/55/48/371015548.db2.gz UUUURVDXFBUDBV-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000130166172 371015553 /nfs/dbraw/zinc/01/55/53/371015553.db2.gz UUUURVDXFBUDBV-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO COc1c(C)c[nH+]c(COc2ccc(C#N)cc2F)c1C ZINC000134291041 371318993 /nfs/dbraw/zinc/31/89/93/371318993.db2.gz CLFQDXCZVWOTPQ-UHFFFAOYSA-N 1 2 286.306 3.297 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(CC)s1)c1ccco1 ZINC000290163534 371918805 /nfs/dbraw/zinc/91/88/05/371918805.db2.gz MBYKULJRBDKRLD-LLVKDONJSA-N 1 2 277.393 3.491 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000156061439 371960574 /nfs/dbraw/zinc/96/05/74/371960574.db2.gz NFPCXTWTAVCHPM-LJQANCHMSA-N 1 2 295.357 3.251 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000156061439 371960582 /nfs/dbraw/zinc/96/05/82/371960582.db2.gz NFPCXTWTAVCHPM-LJQANCHMSA-N 1 2 295.357 3.251 20 30 CGEDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1C#N ZINC000158234409 372060148 /nfs/dbraw/zinc/06/01/48/372060148.db2.gz WAKXHTRPLXOTNU-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)ccc1C#N ZINC000158234409 372060154 /nfs/dbraw/zinc/06/01/54/372060154.db2.gz WAKXHTRPLXOTNU-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425287326 372119939 /nfs/dbraw/zinc/11/99/39/372119939.db2.gz IVOPCLWOARRFJS-HZPDHXFCSA-N 1 2 297.402 3.403 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccc(F)c(F)c1 ZINC000293264089 372341379 /nfs/dbraw/zinc/34/13/79/372341379.db2.gz SEBMITDGCIMHGS-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO C[N@H+](CCOCc1ccccc1)Cc1cc(F)ccc1C#N ZINC000162017946 372367809 /nfs/dbraw/zinc/36/78/09/372367809.db2.gz GUMLTEUBUUOBHJ-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO C[N@@H+](CCOCc1ccccc1)Cc1cc(F)ccc1C#N ZINC000162017946 372367816 /nfs/dbraw/zinc/36/78/16/372367816.db2.gz GUMLTEUBUUOBHJ-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1C ZINC000433307134 372587235 /nfs/dbraw/zinc/58/72/35/372587235.db2.gz UCUIJARMIJXRFH-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000433307134 372587242 /nfs/dbraw/zinc/58/72/42/372587242.db2.gz UCUIJARMIJXRFH-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO CCCn1c2ccccc2nc1C[NH2+]CC(C)(C)C#N ZINC000168921018 372623154 /nfs/dbraw/zinc/62/31/54/372623154.db2.gz WUOIIQXFQRVJHO-UHFFFAOYSA-N 1 2 270.380 3.086 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1ncc(CSC)s1 ZINC000294845237 372674296 /nfs/dbraw/zinc/67/42/96/372674296.db2.gz IGYMIKOXZHTXAC-UHFFFAOYSA-N 1 2 256.440 3.404 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1ncc(CSC)s1 ZINC000294845237 372674302 /nfs/dbraw/zinc/67/43/02/372674302.db2.gz IGYMIKOXZHTXAC-UHFFFAOYSA-N 1 2 256.440 3.404 20 30 CGEDLO C#CCOc1ccccc1C[N@H+](C)Cc1cnc(C)s1 ZINC000170953604 372686511 /nfs/dbraw/zinc/68/65/11/372686511.db2.gz NBSRFMORHGDZCS-UHFFFAOYSA-N 1 2 286.400 3.096 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000170953604 372686521 /nfs/dbraw/zinc/68/65/21/372686521.db2.gz NBSRFMORHGDZCS-UHFFFAOYSA-N 1 2 286.400 3.096 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000437974222 372862146 /nfs/dbraw/zinc/86/21/46/372862146.db2.gz FVOVSLNVXMKCGE-INIZCTEOSA-N 1 2 283.375 3.312 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000437974222 372862162 /nfs/dbraw/zinc/86/21/62/372862162.db2.gz FVOVSLNVXMKCGE-INIZCTEOSA-N 1 2 283.375 3.312 20 30 CGEDLO CC#CC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000172717809 373019728 /nfs/dbraw/zinc/01/97/28/373019728.db2.gz ZCUWWRWUNRKBGB-UHFFFAOYSA-N 1 2 299.201 3.277 20 30 CGEDLO CC#CC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000172717809 373019732 /nfs/dbraw/zinc/01/97/32/373019732.db2.gz ZCUWWRWUNRKBGB-UHFFFAOYSA-N 1 2 299.201 3.277 20 30 CGEDLO Cn1cc(C[N@H+](C)Cc2cc(Cl)ccc2F)cc1C#N ZINC000446977185 373390071 /nfs/dbraw/zinc/39/00/71/373390071.db2.gz LWFDBIYYGFZDEX-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)ccc2F)cc1C#N ZINC000446977185 373390075 /nfs/dbraw/zinc/39/00/75/373390075.db2.gz LWFDBIYYGFZDEX-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000175509377 373477493 /nfs/dbraw/zinc/47/74/93/373477493.db2.gz XBXUNYOPLUOGHT-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000175509377 373477498 /nfs/dbraw/zinc/47/74/98/373477498.db2.gz XBXUNYOPLUOGHT-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCOC(=O)[C@@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000175899826 373535240 /nfs/dbraw/zinc/53/52/40/373535240.db2.gz JAZSVIOSXNGLOA-HWQJWEFDSA-N 1 2 285.343 3.164 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(F)ccc1F)CC1CC1 ZINC000176255181 373572144 /nfs/dbraw/zinc/57/21/44/373572144.db2.gz BQADFXVGDXOBDL-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO N#CCC[N@H+](Cc1cc(F)ccc1F)CC1CC1 ZINC000176255181 373572149 /nfs/dbraw/zinc/57/21/49/373572149.db2.gz BQADFXVGDXOBDL-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449335712 373680722 /nfs/dbraw/zinc/68/07/22/373680722.db2.gz JWRTYWZFFLPIAX-GFCCVEGCSA-N 1 2 264.319 3.470 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449335712 373680727 /nfs/dbraw/zinc/68/07/27/373680727.db2.gz JWRTYWZFFLPIAX-GFCCVEGCSA-N 1 2 264.319 3.470 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](F)C2)cc1Cl ZINC000449388196 373687340 /nfs/dbraw/zinc/68/73/40/373687340.db2.gz OMDIORSVUXJSDD-LBPRGKRZSA-N 1 2 269.747 3.449 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC000449388196 373687342 /nfs/dbraw/zinc/68/73/42/373687342.db2.gz OMDIORSVUXJSDD-LBPRGKRZSA-N 1 2 269.747 3.449 20 30 CGEDLO C=CCSCC/[NH+]=C/c1cccc(OCC)c1O ZINC000180199318 373976845 /nfs/dbraw/zinc/97/68/45/373976845.db2.gz VJKXOIKMCCXFTI-RVDMUPIBSA-N 1 2 265.378 3.129 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000450442063 374133822 /nfs/dbraw/zinc/13/38/22/374133822.db2.gz SFDDIGXIMWXDEM-RDJZCZTQSA-N 1 2 284.403 3.451 20 30 CGEDLO Cc1ccccc1[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](C)CO1 ZINC000450442063 374133832 /nfs/dbraw/zinc/13/38/32/374133832.db2.gz SFDDIGXIMWXDEM-RDJZCZTQSA-N 1 2 284.403 3.451 20 30 CGEDLO COC(=O)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)o1 ZINC000181937749 374192246 /nfs/dbraw/zinc/19/22/46/374192246.db2.gz KDRUGIJRBHUKRE-OAHLLOKOSA-N 1 2 298.342 3.201 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181921994 374190733 /nfs/dbraw/zinc/19/07/33/374190733.db2.gz GBNKWNSYYQEDPE-INIZCTEOSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181921994 374190740 /nfs/dbraw/zinc/19/07/40/374190740.db2.gz GBNKWNSYYQEDPE-INIZCTEOSA-N 1 2 298.411 3.063 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCC(F)(F)C1 ZINC000328649093 374373603 /nfs/dbraw/zinc/37/36/03/374373603.db2.gz IKZLHFKNHAWWBR-NXEZZACHSA-N 1 2 283.322 3.049 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCC(F)(F)C1 ZINC000328649093 374373609 /nfs/dbraw/zinc/37/36/09/374373609.db2.gz IKZLHFKNHAWWBR-NXEZZACHSA-N 1 2 283.322 3.049 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@]23CCOC3)[nH+]1 ZINC000329754849 374426957 /nfs/dbraw/zinc/42/69/57/374426957.db2.gz XOSWZZVUSWOCCR-GUYCJALGSA-N 1 2 297.358 3.400 20 30 CGEDLO C[C@@H]1CCC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000329790408 374430670 /nfs/dbraw/zinc/43/06/70/374430670.db2.gz TUNOBYKSQGSPEK-VXGBXAGGSA-N 1 2 272.352 3.239 20 30 CGEDLO C[C@@H]1CCN(C(=O)NCCC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000330996385 374495706 /nfs/dbraw/zinc/49/57/06/374495706.db2.gz ZZURGVGSPBBMOQ-KGLIPLIRSA-N 1 2 292.427 3.116 20 30 CGEDLO COC[C@H]1CCc2[nH+]c3ccc(C#N)cc3c(C)c2C1 ZINC000334600334 374895155 /nfs/dbraw/zinc/89/51/55/374895155.db2.gz VSYYUILTICSDOR-ZDUSSCGKSA-N 1 2 266.344 3.166 20 30 CGEDLO N#Cc1ccccc1Cn1cccc1CNc1cccc[nH+]1 ZINC000187692972 375073645 /nfs/dbraw/zinc/07/36/45/375073645.db2.gz FYXLIVSZFWPOHU-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO C=CCN(CCOC)c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000477718686 375145034 /nfs/dbraw/zinc/14/50/34/375145034.db2.gz PWWRIHVBXVPMJF-UHFFFAOYSA-N 1 2 277.412 3.362 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000481325484 375163408 /nfs/dbraw/zinc/16/34/08/375163408.db2.gz ZVOOEVBQNQLLFD-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000481325484 375163414 /nfs/dbraw/zinc/16/34/14/375163414.db2.gz ZVOOEVBQNQLLFD-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000483967825 375185332 /nfs/dbraw/zinc/18/53/32/375185332.db2.gz XZCDIBPRDABAGM-UHFFFAOYSA-N 1 2 269.388 3.073 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000483967825 375185336 /nfs/dbraw/zinc/18/53/36/375185336.db2.gz XZCDIBPRDABAGM-UHFFFAOYSA-N 1 2 269.388 3.073 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738226 375389874 /nfs/dbraw/zinc/38/98/74/375389874.db2.gz OEATYASARKZIGA-DZGCQCFKSA-N 1 2 265.360 3.149 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738226 375389877 /nfs/dbraw/zinc/38/98/77/375389877.db2.gz OEATYASARKZIGA-DZGCQCFKSA-N 1 2 265.360 3.149 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492608852 375447462 /nfs/dbraw/zinc/44/74/62/375447462.db2.gz REWLHJSABXQCEX-UHFFFAOYSA-N 1 2 291.192 3.471 20 30 CGEDLO C=CC[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492608852 375447467 /nfs/dbraw/zinc/44/74/67/375447467.db2.gz REWLHJSABXQCEX-UHFFFAOYSA-N 1 2 291.192 3.471 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C)cn1)Cc1ccccc1F ZINC000505779032 375661611 /nfs/dbraw/zinc/66/16/11/375661611.db2.gz XTTAHCYTGHAJSF-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C)cn1)Cc1ccccc1F ZINC000505779032 375661614 /nfs/dbraw/zinc/66/16/14/375661614.db2.gz XTTAHCYTGHAJSF-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C[C@@]1(F)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501410879 375639294 /nfs/dbraw/zinc/63/92/94/375639294.db2.gz NUSZOKUFZWIWHR-CQSZACIVSA-N 1 2 285.284 3.491 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501410879 375639306 /nfs/dbraw/zinc/63/93/06/375639306.db2.gz NUSZOKUFZWIWHR-CQSZACIVSA-N 1 2 285.284 3.491 20 30 CGEDLO C[C@]1(F)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501410878 375639387 /nfs/dbraw/zinc/63/93/87/375639387.db2.gz NUSZOKUFZWIWHR-AWEZNQCLSA-N 1 2 285.284 3.491 20 30 CGEDLO C[C@]1(F)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000501410878 375639394 /nfs/dbraw/zinc/63/93/94/375639394.db2.gz NUSZOKUFZWIWHR-AWEZNQCLSA-N 1 2 285.284 3.491 20 30 CGEDLO N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336077034 375667900 /nfs/dbraw/zinc/66/79/00/375667900.db2.gz IMWIFRQBIPSXSH-CQSZACIVSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1F ZINC000192042479 375691729 /nfs/dbraw/zinc/69/17/29/375691729.db2.gz DORWVESDIWRZMC-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1F ZINC000192042479 375691734 /nfs/dbraw/zinc/69/17/34/375691734.db2.gz DORWVESDIWRZMC-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CCOC(C)(C)C2)c1 ZINC000124151131 542031683 /nfs/dbraw/zinc/03/16/83/542031683.db2.gz BXQMXKQPJSOLSR-VVBXCHJUSA-N 1 2 277.364 3.167 20 30 CGEDLO CCCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000509789009 375783828 /nfs/dbraw/zinc/78/38/28/375783828.db2.gz SKGNIQWRYABSJP-AWEZNQCLSA-N 1 2 260.381 3.457 20 30 CGEDLO CCCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000509789009 375783834 /nfs/dbraw/zinc/78/38/34/375783834.db2.gz SKGNIQWRYABSJP-AWEZNQCLSA-N 1 2 260.381 3.457 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336579837 375847192 /nfs/dbraw/zinc/84/71/92/375847192.db2.gz LUENILKMEBBYTM-AWEZNQCLSA-N 1 2 283.375 3.062 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC000336603914 375867458 /nfs/dbraw/zinc/86/74/58/375867458.db2.gz AJBGVXHCPJFJSP-SNVBAGLBSA-N 1 2 268.282 3.174 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC000336603914 375867466 /nfs/dbraw/zinc/86/74/66/375867466.db2.gz AJBGVXHCPJFJSP-SNVBAGLBSA-N 1 2 268.282 3.174 20 30 CGEDLO N#Cc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1F ZINC000336861420 376015141 /nfs/dbraw/zinc/01/51/41/376015141.db2.gz AFYVFDKNLMPRGV-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO COc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC(F)F ZINC000536639915 376107953 /nfs/dbraw/zinc/10/79/53/376107953.db2.gz NDPMYEKVNUDTDD-UHFFFAOYSA-N 1 2 298.333 3.421 20 30 CGEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC(F)F ZINC000536639915 376107955 /nfs/dbraw/zinc/10/79/55/376107955.db2.gz NDPMYEKVNUDTDD-UHFFFAOYSA-N 1 2 298.333 3.421 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000536669592 376117804 /nfs/dbraw/zinc/11/78/04/376117804.db2.gz SYRYACJXHPQOIW-LLVKDONJSA-N 1 2 270.307 3.410 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000536669592 376117808 /nfs/dbraw/zinc/11/78/08/376117808.db2.gz SYRYACJXHPQOIW-LLVKDONJSA-N 1 2 270.307 3.410 20 30 CGEDLO C=C(C)COCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000131975293 542073916 /nfs/dbraw/zinc/07/39/16/542073916.db2.gz IBNSPSXTUOXKAD-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO C=CCN(C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337833939 376242380 /nfs/dbraw/zinc/24/23/80/376242380.db2.gz TZPSEAGLHNGVJD-UHFFFAOYSA-N 1 2 268.316 3.132 20 30 CGEDLO COc1ccc(N[C@@H](C)c2ccc(C#N)cc2)[nH+]c1 ZINC000225833811 376327691 /nfs/dbraw/zinc/32/76/91/376327691.db2.gz YUCCYXSWKRQLEM-NSHDSACASA-N 1 2 253.305 3.135 20 30 CGEDLO N#Cc1cscc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000339596185 376766709 /nfs/dbraw/zinc/76/67/09/376766709.db2.gz WZAYVDNVSIHZBE-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000339777933 376843423 /nfs/dbraw/zinc/84/34/23/376843423.db2.gz BGMWSOKJXXQXHZ-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000339777933 376843429 /nfs/dbraw/zinc/84/34/29/376843429.db2.gz BGMWSOKJXXQXHZ-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1snnc1C ZINC000563218170 377423537 /nfs/dbraw/zinc/42/35/37/377423537.db2.gz XCMSRVZRRFDSOO-UHFFFAOYSA-N 1 2 265.407 3.096 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1snnc1C ZINC000563218170 377423539 /nfs/dbraw/zinc/42/35/39/377423539.db2.gz XCMSRVZRRFDSOO-UHFFFAOYSA-N 1 2 265.407 3.096 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000249902408 377541100 /nfs/dbraw/zinc/54/11/00/377541100.db2.gz UCELMVCHOASMNA-SWLSCSKDSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000249902408 377541104 /nfs/dbraw/zinc/54/11/04/377541104.db2.gz UCELMVCHOASMNA-SWLSCSKDSA-N 1 2 287.407 3.112 20 30 CGEDLO C=C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341481467 377586294 /nfs/dbraw/zinc/58/62/94/377586294.db2.gz HNPZZMVPTXWNNP-UHFFFAOYSA-N 1 2 266.728 3.400 20 30 CGEDLO Cc1cccn2cc(CSc3cc(C#N)ccn3)[nH+]c12 ZINC000343007969 377880094 /nfs/dbraw/zinc/88/00/94/377880094.db2.gz KVJTWRAPXBDMHE-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO Cc1cc(NCc2ccccc2-n2cc[nH+]c2)cc(C#N)n1 ZINC000342915720 377859144 /nfs/dbraw/zinc/85/91/44/377859144.db2.gz GHOUJZDZRUOXAP-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO Cc1cccc(CCCNc2ccc(C#N)cc2)[nH+]1 ZINC000343241531 377938595 /nfs/dbraw/zinc/93/85/95/377938595.db2.gz YSBGRJRCPYWRQQ-UHFFFAOYSA-N 1 2 251.333 3.306 20 30 CGEDLO CS[C@@H]1CCC[C@@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265286573 378000214 /nfs/dbraw/zinc/00/02/14/378000214.db2.gz GTHNVDBWBZSXTI-ZOPJJOQRSA-N 1 2 265.378 3.191 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000266769705 378025661 /nfs/dbraw/zinc/02/56/61/378025661.db2.gz WLUIYRAIIAXWNP-MRXNPFEDSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000266769705 378025668 /nfs/dbraw/zinc/02/56/68/378025668.db2.gz WLUIYRAIIAXWNP-MRXNPFEDSA-N 1 2 296.361 3.260 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CC2CCC2)c(OC)c1 ZINC000271162373 378466643 /nfs/dbraw/zinc/46/66/43/378466643.db2.gz LLKUGCVMMHTMRX-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CC2CCC2)c(OC)c1 ZINC000271162373 378466644 /nfs/dbraw/zinc/46/66/44/378466644.db2.gz LLKUGCVMMHTMRX-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cs1 ZINC000348308634 378898780 /nfs/dbraw/zinc/89/87/80/378898780.db2.gz OXPQAUBRCYBOKG-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO C=CC[C@@H]1CC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC(C)(C)C ZINC000639425880 379375609 /nfs/dbraw/zinc/37/56/09/379375609.db2.gz QEHSTZOZBZIMOT-CXAGYDPISA-N 1 2 278.440 3.315 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccon1 ZINC000349843710 379419379 /nfs/dbraw/zinc/41/93/79/379419379.db2.gz XUMFDKYTAOYUAL-VHSXEESVSA-N 1 2 259.284 3.097 20 30 CGEDLO CC[N@H+](Cc1ncnn1C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000279842931 379531942 /nfs/dbraw/zinc/53/19/42/379531942.db2.gz ALEJVQODBAIDGL-CQSZACIVSA-N 1 2 297.406 3.314 20 30 CGEDLO CC[N@@H+](Cc1ncnn1C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000279842931 379531948 /nfs/dbraw/zinc/53/19/48/379531948.db2.gz ALEJVQODBAIDGL-CQSZACIVSA-N 1 2 297.406 3.314 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000377668482 379717729 /nfs/dbraw/zinc/71/77/29/379717729.db2.gz BYOJDXTZLBVUNG-HOTGVXAUSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000377668482 379717733 /nfs/dbraw/zinc/71/77/33/379717733.db2.gz BYOJDXTZLBVUNG-HOTGVXAUSA-N 1 2 288.366 3.087 20 30 CGEDLO C[C@@H](CCC#N)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000351408249 379720689 /nfs/dbraw/zinc/72/06/89/379720689.db2.gz HASXLCBWIGOAAT-LBPRGKRZSA-N 1 2 295.789 3.293 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000384123578 379874682 /nfs/dbraw/zinc/87/46/82/379874682.db2.gz ZQCBIVIXPAXLAT-QMMMGPOBSA-N 1 2 272.179 3.310 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000384123578 379874691 /nfs/dbraw/zinc/87/46/91/379874691.db2.gz ZQCBIVIXPAXLAT-QMMMGPOBSA-N 1 2 272.179 3.310 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389478170 379900877 /nfs/dbraw/zinc/90/08/77/379900877.db2.gz RBHHYEJHJRWULI-LLVKDONJSA-N 1 2 255.308 3.385 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccccc2OCC2CC2)n1 ZINC000352805012 379970008 /nfs/dbraw/zinc/97/00/08/379970008.db2.gz XSQZYKNLLFWIGY-UHFFFAOYSA-N 1 2 299.399 3.093 20 30 CGEDLO C=C[C@H](CO)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000641771684 380089366 /nfs/dbraw/zinc/08/93/66/380089366.db2.gz BBAFNYWAIFIQPF-SSDOTTSWSA-N 1 2 280.582 3.283 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1c(F)cncc1F ZINC000353214726 380171182 /nfs/dbraw/zinc/17/11/82/380171182.db2.gz AVZIOQWFEFHVOZ-SECBINFHSA-N 1 2 291.276 3.221 20 30 CGEDLO CC[C@@H](C)[C@@H]([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411536273 380150118 /nfs/dbraw/zinc/15/01/18/380150118.db2.gz QSWNOZHWGPSBIP-ZIAGYGMSSA-N 1 2 280.412 3.028 20 30 CGEDLO COc1cccc(C[N@H+](C)CC(C)(C)C#N)c1OC(C)C ZINC000354008211 380276920 /nfs/dbraw/zinc/27/69/20/380276920.db2.gz CDILLNBDNDDNIH-UHFFFAOYSA-N 1 2 290.407 3.464 20 30 CGEDLO COc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1OC(C)C ZINC000354008211 380276922 /nfs/dbraw/zinc/27/69/22/380276922.db2.gz CDILLNBDNDDNIH-UHFFFAOYSA-N 1 2 290.407 3.464 20 30 CGEDLO CCn1nc(C[N@H+](C)CC(C)(C)C#N)c2ccccc21 ZINC000354034721 380290629 /nfs/dbraw/zinc/29/06/29/380290629.db2.gz BKVQTLNGKHFRRY-UHFFFAOYSA-N 1 2 270.380 3.038 20 30 CGEDLO CCn1nc(C[N@@H+](C)CC(C)(C)C#N)c2ccccc21 ZINC000354034721 380290633 /nfs/dbraw/zinc/29/06/33/380290633.db2.gz BKVQTLNGKHFRRY-UHFFFAOYSA-N 1 2 270.380 3.038 20 30 CGEDLO COc1cc2c(c(C[N@H+](C)CC(C)(C)C#N)c1)O[C@H](C)C2 ZINC000354043433 380296974 /nfs/dbraw/zinc/29/69/74/380296974.db2.gz XYWVFVPLHHCDLP-GFCCVEGCSA-N 1 2 288.391 3.000 20 30 CGEDLO COc1cc2c(c(C[N@@H+](C)CC(C)(C)C#N)c1)O[C@H](C)C2 ZINC000354043433 380296980 /nfs/dbraw/zinc/29/69/80/380296980.db2.gz XYWVFVPLHHCDLP-GFCCVEGCSA-N 1 2 288.391 3.000 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000354044174 380298910 /nfs/dbraw/zinc/29/89/10/380298910.db2.gz GNUUIBLDUXPADV-GFCCVEGCSA-N 1 2 298.365 3.340 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000354044174 380298916 /nfs/dbraw/zinc/29/89/16/380298916.db2.gz GNUUIBLDUXPADV-GFCCVEGCSA-N 1 2 298.365 3.340 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2cccc(C#N)c2C)c1 ZINC000354234817 380371679 /nfs/dbraw/zinc/37/16/79/380371679.db2.gz DESBUIDYSLYLNL-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C=CC[C@@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354430855 380436705 /nfs/dbraw/zinc/43/67/05/380436705.db2.gz NMOYFSDFLUCTSE-CYBMUJFWSA-N 1 2 297.402 3.385 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486476 380801088 /nfs/dbraw/zinc/80/10/88/380801088.db2.gz YDBMMDMISZWBSY-ZFWWWQNUSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486476 380801091 /nfs/dbraw/zinc/80/10/91/380801091.db2.gz YDBMMDMISZWBSY-ZFWWWQNUSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](CC)O1 ZINC000421394805 380943165 /nfs/dbraw/zinc/94/31/65/380943165.db2.gz TXRJXOSSHASECJ-TXEJJXNPSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](CC)O1 ZINC000421394805 380943179 /nfs/dbraw/zinc/94/31/79/380943179.db2.gz TXRJXOSSHASECJ-TXEJJXNPSA-N 1 2 264.394 3.009 20 30 CGEDLO C=CC[N@H+](Cc1nc(CCc2ccccc2)no1)C1CC1 ZINC000357527326 381196832 /nfs/dbraw/zinc/19/68/32/381196832.db2.gz JCAJYZZXWILIGL-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CCc2ccccc2)no1)C1CC1 ZINC000357527326 381196838 /nfs/dbraw/zinc/19/68/38/381196838.db2.gz JCAJYZZXWILIGL-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO N#Cc1cccc(CNc2c[nH+]c3c(c2)CCCC3)c1 ZINC000359815965 381370115 /nfs/dbraw/zinc/37/01/15/381370115.db2.gz FCCGJMLPYIOMIR-UHFFFAOYSA-N 1 2 263.344 3.444 20 30 CGEDLO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)cc1C#N ZINC000359855786 381374638 /nfs/dbraw/zinc/37/46/38/381374638.db2.gz UAIJVFVYPQBXEO-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C[N@@H+](Cc1ccoc1)Cc1ccc(Cl)cc1C#N ZINC000359855786 381374643 /nfs/dbraw/zinc/37/46/43/381374643.db2.gz UAIJVFVYPQBXEO-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C=CC[N@@H+](CCCc1ccc(Cl)cc1)CC(=O)OCC ZINC000740876615 572464571 /nfs/dbraw/zinc/46/45/71/572464571.db2.gz ZABFNWJXDJQDQD-UHFFFAOYSA-N 1 2 295.810 3.324 20 30 CGEDLO C=CC[N@H+](CCCc1ccc(Cl)cc1)CC(=O)OCC ZINC000740876615 572464578 /nfs/dbraw/zinc/46/45/78/572464578.db2.gz ZABFNWJXDJQDQD-UHFFFAOYSA-N 1 2 295.810 3.324 20 30 CGEDLO CCN(C)c1ccc(CNc2cc(C#N)ccc2C)c[nH+]1 ZINC000361589992 381822600 /nfs/dbraw/zinc/82/26/00/381822600.db2.gz XJFWRCNAYWIRHF-UHFFFAOYSA-N 1 2 280.375 3.330 20 30 CGEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000362279042 381927152 /nfs/dbraw/zinc/92/71/52/381927152.db2.gz GLUFEDSWVWQSNJ-QGZVFWFLSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000362279042 381927162 /nfs/dbraw/zinc/92/71/62/381927162.db2.gz GLUFEDSWVWQSNJ-QGZVFWFLSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1cccc2[nH+]c(CSc3ccc(C#N)cn3)cn21 ZINC000353729023 220284829 /nfs/dbraw/zinc/28/48/29/220284829.db2.gz ZCGVTUXQVCIGHT-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO COc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1C#N ZINC000289364355 197313876 /nfs/dbraw/zinc/31/38/76/197313876.db2.gz KTRTZNLRTDHGBY-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1C#N ZINC000289364355 197313877 /nfs/dbraw/zinc/31/38/77/197313877.db2.gz KTRTZNLRTDHGBY-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1ccc(C#N)cc1NCc1c[nH+]c2cc(C)ccn12 ZINC000354856662 533273157 /nfs/dbraw/zinc/27/31/57/533273157.db2.gz URVNBILKGLRBDL-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO C[N@H+](CCC#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000078600666 392218715 /nfs/dbraw/zinc/21/87/15/392218715.db2.gz OSEUELABHUBFIS-UHFFFAOYSA-N 1 2 290.370 3.347 20 30 CGEDLO C[N@@H+](CCC#N)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000078600666 392218716 /nfs/dbraw/zinc/21/87/16/392218716.db2.gz OSEUELABHUBFIS-UHFFFAOYSA-N 1 2 290.370 3.347 20 30 CGEDLO COc1cccc(CCC[N@H+](CC#N)C2CCCC2)c1 ZINC000121800686 392415727 /nfs/dbraw/zinc/41/57/27/392415727.db2.gz KIPZSQOXARHCIL-UHFFFAOYSA-N 1 2 272.392 3.396 20 30 CGEDLO COc1cccc(CCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000121800686 392415728 /nfs/dbraw/zinc/41/57/28/392415728.db2.gz KIPZSQOXARHCIL-UHFFFAOYSA-N 1 2 272.392 3.396 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000158516658 392568812 /nfs/dbraw/zinc/56/88/12/392568812.db2.gz JCAAAJORAZEEMH-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000158516658 392568814 /nfs/dbraw/zinc/56/88/14/392568814.db2.gz JCAAAJORAZEEMH-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329630097 392688848 /nfs/dbraw/zinc/68/88/48/392688848.db2.gz VIICPLIXBLHHLL-JHJVBQTASA-N 1 2 275.396 3.440 20 30 CGEDLO CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329630097 392688856 /nfs/dbraw/zinc/68/88/56/392688856.db2.gz VIICPLIXBLHHLL-JHJVBQTASA-N 1 2 275.396 3.440 20 30 CGEDLO N#CC1(C[NH+]2CCC(c3ncccc3Cl)CC2)CC1 ZINC000335699062 392807899 /nfs/dbraw/zinc/80/78/99/392807899.db2.gz SAEQUKLFNIMRQB-UHFFFAOYSA-N 1 2 275.783 3.218 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(CC)nc1)c1ccc(Cl)cc1 ZINC000491440417 542717425 /nfs/dbraw/zinc/71/74/25/542717425.db2.gz PEFJONHKVUHWFK-OAHLLOKOSA-N 1 2 285.778 3.157 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC1(C#N)CC1 ZINC000343160300 393020087 /nfs/dbraw/zinc/02/00/87/393020087.db2.gz LSSDYOREPWSOLK-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC1(C#N)CC1 ZINC000343160300 393020091 /nfs/dbraw/zinc/02/00/91/393020091.db2.gz LSSDYOREPWSOLK-SNVBAGLBSA-N 1 2 250.292 3.261 20 30 CGEDLO COc1cc(C#N)ccc1NCc1cn2cccc(C)c2[nH+]1 ZINC000546707289 393066742 /nfs/dbraw/zinc/06/67/42/393066742.db2.gz LISAGDHHYBRVLN-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C\c2ccncc2C#N)c[nH+]1 ZINC000349113643 393139671 /nfs/dbraw/zinc/13/96/71/393139671.db2.gz SGLLUYJPQCAXFS-XQRVVYSFSA-N 1 2 278.359 3.363 20 30 CGEDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352835438 393211299 /nfs/dbraw/zinc/21/12/99/393211299.db2.gz OXFVPJPDXQVMSE-SECBINFHSA-N 1 2 291.351 3.013 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000355449478 393326964 /nfs/dbraw/zinc/32/69/64/393326964.db2.gz QZKISXOLAPNOEW-HNNXBMFYSA-N 1 2 272.392 3.102 20 30 CGEDLO COc1ccc([C@H](C)[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356080542 393354994 /nfs/dbraw/zinc/35/49/94/393354994.db2.gz DBSHODYHDPCMDJ-NSHDSACASA-N 1 2 287.388 3.216 20 30 CGEDLO COc1ccc([C@H](C)[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356080542 393355000 /nfs/dbraw/zinc/35/50/00/393355000.db2.gz DBSHODYHDPCMDJ-NSHDSACASA-N 1 2 287.388 3.216 20 30 CGEDLO C=CCC[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000427011576 393452793 /nfs/dbraw/zinc/45/27/93/393452793.db2.gz HFGGQBSXESLQAP-OAHLLOKOSA-N 1 2 283.375 3.118 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649599734 393508853 /nfs/dbraw/zinc/50/88/53/393508853.db2.gz LRXXOWHPIBGZJZ-OAHLLOKOSA-N 1 2 283.375 3.049 20 30 CGEDLO Cc1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)ccc1C#N ZINC000489269484 393581947 /nfs/dbraw/zinc/58/19/47/393581947.db2.gz PDQDAPWXBJTCTC-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1cc(C[N@H+]2CCOc3ccc(F)cc3C2)ccc1C#N ZINC000489269484 393581956 /nfs/dbraw/zinc/58/19/56/393581956.db2.gz PDQDAPWXBJTCTC-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO CN(Cc1cccc(C#N)c1)c1[nH+]c2cccc(F)c2n1C ZINC000443515051 393760845 /nfs/dbraw/zinc/76/08/45/393760845.db2.gz JBFHGXMMMYNFPV-UHFFFAOYSA-N 1 2 294.333 3.220 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2[nH+]1 ZINC000448810821 393872142 /nfs/dbraw/zinc/87/21/42/393872142.db2.gz OBNDILHWUJXBCI-GTNSWQLSSA-N 1 2 296.374 3.394 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)cc[nH+]c1C ZINC000667061650 542840446 /nfs/dbraw/zinc/84/04/46/542840446.db2.gz TZXHXGDOEJQWTK-OKILXGFUSA-N 1 2 271.364 3.413 20 30 CGEDLO N#Cc1ccncc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000271221694 135093139 /nfs/dbraw/zinc/09/31/39/135093139.db2.gz CVHXUQCLTLKALZ-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO N#CCCSCc1cn2cc(Br)ccc2[nH+]1 ZINC000413009997 397699416 /nfs/dbraw/zinc/69/94/16/397699416.db2.gz FJCYVQMFBLXJSR-UHFFFAOYSA-N 1 2 296.193 3.244 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000676557336 543404470 /nfs/dbraw/zinc/40/44/70/543404470.db2.gz RZRIEQNGPRKZFG-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOc3ccccc3C2)cc1 ZINC000676557336 543404472 /nfs/dbraw/zinc/40/44/72/543404472.db2.gz RZRIEQNGPRKZFG-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000677047949 543427796 /nfs/dbraw/zinc/42/77/96/543427796.db2.gz LNKRRVTWRVLDQP-CZUORRHYSA-N 1 2 261.340 3.001 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000677047949 543427800 /nfs/dbraw/zinc/42/78/00/543427800.db2.gz LNKRRVTWRVLDQP-CZUORRHYSA-N 1 2 261.340 3.001 20 30 CGEDLO CCC#C[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000677478002 543450630 /nfs/dbraw/zinc/45/06/30/543450630.db2.gz IJLYOQPUKZGEPB-XSZJWBAASA-N 1 2 282.431 3.119 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2nnc(C)s2)cc1 ZINC000678623885 543547454 /nfs/dbraw/zinc/54/74/54/543547454.db2.gz YHRNTRQHQJPZJG-UHFFFAOYSA-N 1 2 289.404 3.043 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nnc(C)s2)cc1 ZINC000678623885 543547456 /nfs/dbraw/zinc/54/74/56/543547456.db2.gz YHRNTRQHQJPZJG-UHFFFAOYSA-N 1 2 289.404 3.043 20 30 CGEDLO COCC#CC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000678798801 543559952 /nfs/dbraw/zinc/55/99/52/543559952.db2.gz PUQGJTQIOHEISY-UHFFFAOYSA-N 1 2 284.186 3.222 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000678939098 543574779 /nfs/dbraw/zinc/57/47/79/543574779.db2.gz NLXHZMBQQAHPIK-CQSZACIVSA-N 1 2 259.378 3.335 20 30 CGEDLO Cc1ccc(F)cc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092142613 165282781 /nfs/dbraw/zinc/28/27/81/165282781.db2.gz UTZOGUMMBCBTFW-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1F ZINC000112830286 287145751 /nfs/dbraw/zinc/14/57/51/287145751.db2.gz PADSYRABPNRLKK-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1F ZINC000112830286 287145752 /nfs/dbraw/zinc/14/57/52/287145752.db2.gz PADSYRABPNRLKK-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO C=CCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000072205700 176342422 /nfs/dbraw/zinc/34/24/22/176342422.db2.gz IMLNYSNCMZUQHB-LBPRGKRZSA-N 1 2 282.457 3.369 20 30 CGEDLO C=C(Cl)C[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078516580 177348779 /nfs/dbraw/zinc/34/87/79/177348779.db2.gz LIJPJUYMUCVUGK-UHFFFAOYSA-N 1 2 280.799 3.398 20 30 CGEDLO C=C(Cl)C[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000078516580 177348780 /nfs/dbraw/zinc/34/87/80/177348780.db2.gz LIJPJUYMUCVUGK-UHFFFAOYSA-N 1 2 280.799 3.398 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000335728517 226749840 /nfs/dbraw/zinc/74/98/40/226749840.db2.gz DACMTCCDDXHMPB-ZFWWWQNUSA-N 1 2 266.348 3.367 20 30 CGEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCCC(F)(F)C1 ZINC000329519223 227568207 /nfs/dbraw/zinc/56/82/07/227568207.db2.gz NXMABDMZCFUXHS-LLVKDONJSA-N 1 2 294.305 3.047 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccco1 ZINC000658336257 418942457 /nfs/dbraw/zinc/94/24/57/418942457.db2.gz QAHZDNQZYDBVNJ-STQMWFEESA-N 1 2 259.353 3.371 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cc(OC)no1)c1ccc(F)c(F)c1 ZINC000660311680 419124818 /nfs/dbraw/zinc/12/48/18/419124818.db2.gz IXMFYKRFZVLUDH-OAHLLOKOSA-N 1 2 294.301 3.368 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656276249 419163519 /nfs/dbraw/zinc/16/35/19/419163519.db2.gz CSAAOJUTDUHQQJ-TUAOUCFPSA-N 1 2 265.319 3.431 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)cs1)[C@@H](C)COC ZINC000661244123 419244689 /nfs/dbraw/zinc/24/46/89/419244689.db2.gz QEQJGONOCYLMQG-LBPRGKRZSA-N 1 2 282.453 3.464 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@@H](C)COC ZINC000661244123 419244692 /nfs/dbraw/zinc/24/46/92/419244692.db2.gz QEQJGONOCYLMQG-LBPRGKRZSA-N 1 2 282.453 3.464 20 30 CGEDLO C=CCC[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000660938738 419216642 /nfs/dbraw/zinc/21/66/42/419216642.db2.gz PMWZNQZEBWMGGM-INIZCTEOSA-N 1 2 298.390 3.259 20 30 CGEDLO C=CCC[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000660938738 419216645 /nfs/dbraw/zinc/21/66/45/419216645.db2.gz PMWZNQZEBWMGGM-INIZCTEOSA-N 1 2 298.390 3.259 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000662081187 419333762 /nfs/dbraw/zinc/33/37/62/419333762.db2.gz WDCQKFSVOWAERO-UUMMVJRDSA-N 1 2 286.419 3.007 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000662081187 419333764 /nfs/dbraw/zinc/33/37/64/419333764.db2.gz WDCQKFSVOWAERO-UUMMVJRDSA-N 1 2 286.419 3.007 20 30 CGEDLO N#Cc1cccc(CNc2[nH+]cccc2OC(F)F)c1 ZINC000189271918 287568402 /nfs/dbraw/zinc/56/84/02/287568402.db2.gz TVNHHWXPWRMKNY-UHFFFAOYSA-N 1 2 275.258 3.167 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1noc(C)n1 ZINC000298089193 260142945 /nfs/dbraw/zinc/14/29/45/260142945.db2.gz KPOCUVZUNZIXDD-ZDUSSCGKSA-N 1 2 271.364 3.170 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1noc(C)n1 ZINC000298089193 260142947 /nfs/dbraw/zinc/14/29/47/260142947.db2.gz KPOCUVZUNZIXDD-ZDUSSCGKSA-N 1 2 271.364 3.170 20 30 CGEDLO N#C[C@@H]1[N@H+](CCC2CCCC2)CCC[C@@]12CCCCO2 ZINC000447912475 260163368 /nfs/dbraw/zinc/16/33/68/260163368.db2.gz KDMOGCVUNPBHEJ-IRXDYDNUSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@@H]1[N@@H+](CCC2CCCC2)CCC[C@@]12CCCCO2 ZINC000447912475 260163369 /nfs/dbraw/zinc/16/33/69/260163369.db2.gz KDMOGCVUNPBHEJ-IRXDYDNUSA-N 1 2 276.424 3.494 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080509194 260180969 /nfs/dbraw/zinc/18/09/69/260180969.db2.gz YQTQDVMBHHQJKI-AWEZNQCLSA-N 1 2 258.365 3.182 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(Br)s1)C1CCCC1 ZINC000490934611 261253913 /nfs/dbraw/zinc/25/39/13/261253913.db2.gz JQUPLLQXEAKVRC-UHFFFAOYSA-N 1 2 299.237 3.283 20 30 CGEDLO C#CC[N@H+](Cc1ncc(Br)s1)C1CCCC1 ZINC000490934611 261253914 /nfs/dbraw/zinc/25/39/14/261253914.db2.gz JQUPLLQXEAKVRC-UHFFFAOYSA-N 1 2 299.237 3.283 20 30 CGEDLO C=C[C@H]1CCCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000362854923 261611597 /nfs/dbraw/zinc/61/15/97/261611597.db2.gz XLMRMHMXVLIWJT-ZDUSSCGKSA-N 1 2 257.381 3.209 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000491780172 262039216 /nfs/dbraw/zinc/03/92/16/262039216.db2.gz LGNJBIAARHUZSC-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000491780172 262039217 /nfs/dbraw/zinc/03/92/17/262039217.db2.gz LGNJBIAARHUZSC-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(Br)c1OC ZINC000187396011 262135162 /nfs/dbraw/zinc/13/51/62/262135162.db2.gz JZUNONUSLDYACT-NSHDSACASA-N 1 2 297.196 3.240 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000411162208 262681528 /nfs/dbraw/zinc/68/15/28/262681528.db2.gz GNIUQUGYHADLMU-CYBMUJFWSA-N 1 2 290.432 3.410 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272218941 263002684 /nfs/dbraw/zinc/00/26/84/263002684.db2.gz BPYPVJWSLVBQDC-ZDUSSCGKSA-N 1 2 288.391 3.233 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272218941 263002685 /nfs/dbraw/zinc/00/26/85/263002685.db2.gz BPYPVJWSLVBQDC-ZDUSSCGKSA-N 1 2 288.391 3.233 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@@H](C)C#N ZINC000272287674 263003237 /nfs/dbraw/zinc/00/32/37/263003237.db2.gz GORUDVKNPKXELR-JQWIXIFHSA-N 1 2 261.325 3.056 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](C)C#N ZINC000272287674 263003238 /nfs/dbraw/zinc/00/32/38/263003238.db2.gz GORUDVKNPKXELR-JQWIXIFHSA-N 1 2 261.325 3.056 20 30 CGEDLO C[C@H](/[NH+]=C/c1c(O)ccc2ccccc21)[C@H]1CCOC1 ZINC000280967400 263065259 /nfs/dbraw/zinc/06/52/59/263065259.db2.gz IWLDKTVCPQLFGA-KCELOSIBSA-N 1 2 269.344 3.389 20 30 CGEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000284988678 263089053 /nfs/dbraw/zinc/08/90/53/263089053.db2.gz FEFJMVJZZWRNAP-QGZVFWFLSA-N 1 2 296.374 3.179 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CCC(F)(F)C1 ZINC000340279651 263104134 /nfs/dbraw/zinc/10/41/34/263104134.db2.gz IYOFWEBFJZMZPP-CYBMUJFWSA-N 1 2 279.334 3.233 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CCC(F)(F)C1 ZINC000340279651 263104135 /nfs/dbraw/zinc/10/41/35/263104135.db2.gz IYOFWEBFJZMZPP-CYBMUJFWSA-N 1 2 279.334 3.233 20 30 CGEDLO CCOc1cc2c(cc1[NH2+]CCC(C)(C)C#N)OCCO2 ZINC000288670368 263105435 /nfs/dbraw/zinc/10/54/35/263105435.db2.gz HOBOQUMBXBEXBQ-UHFFFAOYSA-N 1 2 290.363 3.208 20 30 CGEDLO CSC1(C[N@H+](CCC#N)Cc2ccco2)CCC1 ZINC000290466180 263117045 /nfs/dbraw/zinc/11/70/45/263117045.db2.gz PTPLUSPNBXVGRG-UHFFFAOYSA-N 1 2 264.394 3.281 20 30 CGEDLO CSC1(C[N@@H+](CCC#N)Cc2ccco2)CCC1 ZINC000290466180 263117046 /nfs/dbraw/zinc/11/70/46/263117046.db2.gz PTPLUSPNBXVGRG-UHFFFAOYSA-N 1 2 264.394 3.281 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2ncccc2c1 ZINC000292332542 263131170 /nfs/dbraw/zinc/13/11/70/263131170.db2.gz WMWPQTKKGZPANR-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2ncccc2c1 ZINC000292332542 263131171 /nfs/dbraw/zinc/13/11/71/263131171.db2.gz WMWPQTKKGZPANR-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)CCCC#N ZINC000293106332 263137959 /nfs/dbraw/zinc/13/79/59/263137959.db2.gz QOYGHPAUNDKRBK-UHFFFAOYSA-N 1 2 260.337 3.251 20 30 CGEDLO Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc(C2CC2)[nH+]1 ZINC000294908319 263169137 /nfs/dbraw/zinc/16/91/37/263169137.db2.gz FLJMMDJUCLGFBC-AAEUAGOBSA-N 1 2 256.353 3.157 20 30 CGEDLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295705459 263181471 /nfs/dbraw/zinc/18/14/71/263181471.db2.gz CLLXPGNITXETDO-INIZCTEOSA-N 1 2 269.348 3.057 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125601473 264027904 /nfs/dbraw/zinc/02/79/04/264027904.db2.gz PJAOOXFZXUACIQ-LBPRGKRZSA-N 1 2 267.170 3.127 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125601473 264027905 /nfs/dbraw/zinc/02/79/05/264027905.db2.gz PJAOOXFZXUACIQ-LBPRGKRZSA-N 1 2 267.170 3.127 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331360209 264208815 /nfs/dbraw/zinc/20/88/15/264208815.db2.gz XNWFFHSARUIBJF-CABZTGNLSA-N 1 2 279.727 3.030 20 30 CGEDLO CC#CCCCC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000286808002 264606026 /nfs/dbraw/zinc/60/60/26/264606026.db2.gz BFEBMMXLBVDBBX-UHFFFAOYSA-N 1 2 275.348 3.106 20 30 CGEDLO C=CCCC1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000355541735 266048494 /nfs/dbraw/zinc/04/84/94/266048494.db2.gz JESLLMBKVFEAAS-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469653 266120641 /nfs/dbraw/zinc/12/06/41/266120641.db2.gz FBCFQLZCSNKWTF-NWDGAFQWSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469653 266120645 /nfs/dbraw/zinc/12/06/45/266120645.db2.gz FBCFQLZCSNKWTF-NWDGAFQWSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@@H](CC)O1 ZINC000398518777 266380202 /nfs/dbraw/zinc/38/02/02/266380202.db2.gz LMVWQGQGXMHWLX-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[N@@H+](Cc1cc(F)cc(Cl)c1)C[C@@H](C)C#N ZINC000362526782 267001351 /nfs/dbraw/zinc/00/13/51/267001351.db2.gz VEFIMOUASZFOMJ-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1cc(F)cc(Cl)c1)C[C@@H](C)C#N ZINC000362526782 267001354 /nfs/dbraw/zinc/00/13/54/267001354.db2.gz VEFIMOUASZFOMJ-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO C=C(C[NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000367613229 267104311 /nfs/dbraw/zinc/10/43/11/267104311.db2.gz BXRVQZCVGNMLQE-OAHLLOKOSA-N 1 2 253.349 3.090 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(Br)c2F)CCC1 ZINC000418145863 267366044 /nfs/dbraw/zinc/36/60/44/267366044.db2.gz YZMBQFPEEKLZLL-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000362300115 279108916 /nfs/dbraw/zinc/10/89/16/279108916.db2.gz SLJMAQKEKCTBIE-MNOVXSKESA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cccc(F)c1C#N ZINC000362300115 279108918 /nfs/dbraw/zinc/10/89/18/279108918.db2.gz SLJMAQKEKCTBIE-MNOVXSKESA-N 1 2 264.369 3.023 20 30 CGEDLO Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)c(C#N)c[nH+]1 ZINC000425268141 280300376 /nfs/dbraw/zinc/30/03/76/280300376.db2.gz NHXHZSKXIBMFGG-QGZVFWFLSA-N 1 2 288.354 3.045 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000534299014 328044131 /nfs/dbraw/zinc/04/41/31/328044131.db2.gz PLNRZUMCHBBCTQ-UHFFFAOYSA-N 1 2 294.358 3.004 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+]C[C@H](C#N)CCC#N)co2)cc1 ZINC000571373910 328117581 /nfs/dbraw/zinc/11/75/81/328117581.db2.gz KTGKMPAEIUTYMO-AWEZNQCLSA-N 1 2 294.358 3.183 20 30 CGEDLO CCCCCCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000267105502 328172802 /nfs/dbraw/zinc/17/28/02/328172802.db2.gz MFHWJBLYFOOBDG-HNNXBMFYSA-N 1 2 279.428 3.386 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCOC3(CCC3)C2)c1O ZINC000269022430 328188825 /nfs/dbraw/zinc/18/88/25/328188825.db2.gz IZSRZXOTBMHZQY-QCUKBLKESA-N 1 2 289.375 3.312 20 30 CGEDLO C=CCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293264054 328275008 /nfs/dbraw/zinc/27/50/08/328275008.db2.gz UOPNNXIGSHIDIY-UHFFFAOYSA-N 1 2 253.349 3.154 20 30 CGEDLO C=CCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293264054 328275009 /nfs/dbraw/zinc/27/50/09/328275009.db2.gz UOPNNXIGSHIDIY-UHFFFAOYSA-N 1 2 253.349 3.154 20 30 CGEDLO C[C@H]([NH2+]Cc1ncc(C#N)cn1)c1ccc(C2CC2)cc1 ZINC000570551315 322276293 /nfs/dbraw/zinc/27/62/93/322276293.db2.gz MIPHFNRKMOYBDE-LBPRGKRZSA-N 1 2 278.359 3.076 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000573548917 327195780 /nfs/dbraw/zinc/19/57/80/327195780.db2.gz UNVBASFEVDBJCI-NWDGAFQWSA-N 1 2 270.311 3.116 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+](C)C[C@H](C#N)CCC#N)c1 ZINC000120671279 327345319 /nfs/dbraw/zinc/34/53/19/327345319.db2.gz GNSLUGBWRWSFLG-INIZCTEOSA-N 1 2 285.391 3.349 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](C#N)CCC#N)c1 ZINC000120671279 327345321 /nfs/dbraw/zinc/34/53/21/327345321.db2.gz GNSLUGBWRWSFLG-INIZCTEOSA-N 1 2 285.391 3.349 20 30 CGEDLO CC[C@H](C#N)[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000122253088 327361827 /nfs/dbraw/zinc/36/18/27/327361827.db2.gz JGPMMPOCYWRXQL-CABCVRRESA-N 1 2 260.381 3.154 20 30 CGEDLO N#CCN(Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000526084750 328612838 /nfs/dbraw/zinc/61/28/38/328612838.db2.gz CJNYZOPRTKQTCV-UHFFFAOYSA-N 1 2 294.402 3.200 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000184090986 329256138 /nfs/dbraw/zinc/25/61/38/329256138.db2.gz CWILDSHPNGXAFK-LLVKDONJSA-N 1 2 284.306 3.078 20 30 CGEDLO CC[N@@H+](Cc1nc2ccc(OC)cc2s1)C[C@H](C)C#N ZINC000186903910 329349989 /nfs/dbraw/zinc/34/99/89/329349989.db2.gz LCUJKVMKCPOPEH-LLVKDONJSA-N 1 2 289.404 3.286 20 30 CGEDLO CC[N@H+](Cc1nc2ccc(OC)cc2s1)C[C@H](C)C#N ZINC000186903910 329349990 /nfs/dbraw/zinc/34/99/90/329349990.db2.gz LCUJKVMKCPOPEH-LLVKDONJSA-N 1 2 289.404 3.286 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)c(F)c1 ZINC000187373800 329356949 /nfs/dbraw/zinc/35/69/49/329356949.db2.gz MWUYOWKHDRDURX-CQSZACIVSA-N 1 2 263.291 3.095 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189176227 329376574 /nfs/dbraw/zinc/37/65/74/329376574.db2.gz TWWBYWYKCAMKHR-UHFFFAOYSA-N 1 2 279.290 3.023 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189176227 329376576 /nfs/dbraw/zinc/37/65/76/329376576.db2.gz TWWBYWYKCAMKHR-UHFFFAOYSA-N 1 2 279.290 3.023 20 30 CGEDLO C=CC[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196783 329634850 /nfs/dbraw/zinc/63/48/50/329634850.db2.gz YBOJZHWKJBTSTO-ZFWWWQNUSA-N 1 2 283.375 3.013 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc2c(OC)cccc21 ZINC000425263501 329652620 /nfs/dbraw/zinc/65/26/20/329652620.db2.gz LLFNHVARGMDUEO-WFASDCNBSA-N 1 2 284.359 3.246 20 30 CGEDLO C#CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133787408 329655374 /nfs/dbraw/zinc/65/53/74/329655374.db2.gz ULGIXHPRWQXERF-OAHLLOKOSA-N 1 2 256.736 3.047 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)OCC ZINC000270049883 330072646 /nfs/dbraw/zinc/07/26/46/330072646.db2.gz MDKYKPSNUVUNBE-OAHLLOKOSA-N 1 2 299.374 3.387 20 30 CGEDLO FC(F)(F)C1(C(F)(F)F)CC[N@H+](CC2(F)CC2)C1 ZINC000527220067 330237350 /nfs/dbraw/zinc/23/73/50/330237350.db2.gz TWRNCGKGTTWODC-UHFFFAOYSA-N 1 2 279.199 3.305 20 30 CGEDLO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC2(F)CC2)C1 ZINC000527220067 330237351 /nfs/dbraw/zinc/23/73/51/330237351.db2.gz TWRNCGKGTTWODC-UHFFFAOYSA-N 1 2 279.199 3.305 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000057907961 330380985 /nfs/dbraw/zinc/38/09/85/330380985.db2.gz PLDIOGBFZXDSNW-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C=CCCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447813788 330877543 /nfs/dbraw/zinc/87/75/43/330877543.db2.gz UFKRLCUTVAFOOR-UHFFFAOYSA-N 1 2 298.346 3.160 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CCCC1 ZINC000449799065 330950698 /nfs/dbraw/zinc/95/06/98/330950698.db2.gz XWVRZARJUMGKHU-UHFFFAOYSA-N 1 2 297.402 3.395 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccco1 ZINC000453323616 331116762 /nfs/dbraw/zinc/11/67/62/331116762.db2.gz RYXGJAMBTRQBAM-LBPRGKRZSA-N 1 2 279.771 3.464 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccsc1C(=O)OC ZINC000489400336 332050299 /nfs/dbraw/zinc/05/02/99/332050299.db2.gz HJSLCPYVQXGLKJ-LBPRGKRZSA-N 1 2 265.378 3.075 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccsc1C(=O)OC ZINC000489400336 332050298 /nfs/dbraw/zinc/05/02/98/332050298.db2.gz HJSLCPYVQXGLKJ-LBPRGKRZSA-N 1 2 265.378 3.075 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1OCC ZINC000489449244 332053394 /nfs/dbraw/zinc/05/33/94/332053394.db2.gz UALRDUJPJWMTNJ-AWEZNQCLSA-N 1 2 288.391 3.064 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1OCC ZINC000489449244 332053396 /nfs/dbraw/zinc/05/33/96/332053396.db2.gz UALRDUJPJWMTNJ-AWEZNQCLSA-N 1 2 288.391 3.064 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc([C@@H](C)SCC)no1 ZINC000489487023 332055576 /nfs/dbraw/zinc/05/55/76/332055576.db2.gz ZUBVGDGONISOSY-NEPJUHHUSA-N 1 2 281.425 3.424 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc([C@@H](C)SCC)no1 ZINC000489487023 332055578 /nfs/dbraw/zinc/05/55/78/332055578.db2.gz ZUBVGDGONISOSY-NEPJUHHUSA-N 1 2 281.425 3.424 20 30 CGEDLO C#CC(C)(C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000490672298 332102033 /nfs/dbraw/zinc/10/20/33/332102033.db2.gz YWDCGEJYWWRCKI-UHFFFAOYSA-N 1 2 280.327 3.016 20 30 CGEDLO C#CC[N@@H+](Cc1csc(Cl)n1)C1CCCC1 ZINC000491715205 332305486 /nfs/dbraw/zinc/30/54/86/332305486.db2.gz ORUSZCNWVVLMKP-UHFFFAOYSA-N 1 2 254.786 3.174 20 30 CGEDLO C#CC[N@H+](Cc1csc(Cl)n1)C1CCCC1 ZINC000491715205 332305487 /nfs/dbraw/zinc/30/54/87/332305487.db2.gz ORUSZCNWVVLMKP-UHFFFAOYSA-N 1 2 254.786 3.174 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000500780642 332618898 /nfs/dbraw/zinc/61/88/98/332618898.db2.gz LOEBFAXFFUZEND-GJZGRUSLSA-N 1 2 295.810 3.368 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccsc2Br)CCC1 ZINC000529612040 333501343 /nfs/dbraw/zinc/50/13/43/333501343.db2.gz RMJLGZCFUWIJSB-UHFFFAOYSA-N 1 2 285.210 3.294 20 30 CGEDLO CC(C)(C)c1cc(NCCCC#N)nc(C(C)(C)C)[nH+]1 ZINC000541332785 333772544 /nfs/dbraw/zinc/77/25/44/333772544.db2.gz SZBXOPBTOKQATJ-UHFFFAOYSA-N 1 2 274.412 3.209 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c[nH]nc2-c2cccs2)c1 ZINC000545928663 334007254 /nfs/dbraw/zinc/00/72/54/334007254.db2.gz SVYRJRFURJMBEB-UHFFFAOYSA-N 1 2 295.371 3.211 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc(OC(F)F)c2)c1 ZINC000546634035 334042195 /nfs/dbraw/zinc/04/21/95/334042195.db2.gz OEFWPSLRMSZTRW-UHFFFAOYSA-N 1 2 289.285 3.361 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccccc2Cl)c1 ZINC000547340082 334081061 /nfs/dbraw/zinc/08/10/61/334081061.db2.gz SRKKKJJCARZLLP-UHFFFAOYSA-N 1 2 257.724 3.413 20 30 CGEDLO C=CCOc1ccccc1CNc1cc(CC#N)cc[nH+]1 ZINC000547340874 334081479 /nfs/dbraw/zinc/08/14/79/334081479.db2.gz KGZHLJGQDVJAKB-UHFFFAOYSA-N 1 2 279.343 3.325 20 30 CGEDLO CC[N@H+](CC#Cc1ccccc1Cl)C[C@@H](C)C#N ZINC000135017301 334112352 /nfs/dbraw/zinc/11/23/52/334112352.db2.gz OYAHSHMCQGALDW-ZDUSSCGKSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](C)C#N ZINC000135017301 334112353 /nfs/dbraw/zinc/11/23/53/334112353.db2.gz OYAHSHMCQGALDW-ZDUSSCGKSA-N 1 2 260.768 3.173 20 30 CGEDLO N#CCC[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000576272815 335180386 /nfs/dbraw/zinc/18/03/86/335180386.db2.gz LIWKWALDNSKINZ-SNVBAGLBSA-N 1 2 283.194 3.099 20 30 CGEDLO N#CCC[N@H+](CCC1CCCC1)Cc1ccccn1 ZINC000081159556 334179752 /nfs/dbraw/zinc/17/97/52/334179752.db2.gz IMLCJWJKDALDDR-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO N#CCC[N@@H+](CCC1CCCC1)Cc1ccccn1 ZINC000081159556 334179753 /nfs/dbraw/zinc/17/97/53/334179753.db2.gz IMLCJWJKDALDDR-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO C=C(C)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000549484192 334195059 /nfs/dbraw/zinc/19/50/59/334195059.db2.gz ZCKMKGQYFAPVFS-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=C(C)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000549484192 334195060 /nfs/dbraw/zinc/19/50/60/334195060.db2.gz ZCKMKGQYFAPVFS-UHFFFAOYSA-N 1 2 282.181 3.220 20 30 CGEDLO C=C(C)CCc1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000551960296 334267884 /nfs/dbraw/zinc/26/78/84/334267884.db2.gz BLHXHVRHNUTIOV-UHFFFAOYSA-N 1 2 282.347 3.125 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1Br ZINC000085220694 334283420 /nfs/dbraw/zinc/28/34/20/334283420.db2.gz FTAMQOSXEJEKQL-MRVPVSSYSA-N 1 2 287.588 3.352 20 30 CGEDLO CCc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000566310294 334642328 /nfs/dbraw/zinc/64/23/28/334642328.db2.gz IFKMMNOWJACVSD-UHFFFAOYSA-N 1 2 251.333 3.322 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000380016177 335296678 /nfs/dbraw/zinc/29/66/78/335296678.db2.gz UEVUYYPBCZGFCA-UHFFFAOYSA-N 1 2 261.177 3.448 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000185021749 518630150 /nfs/dbraw/zinc/63/01/50/518630150.db2.gz RCGKEESGATWBDX-CQSZACIVSA-N 1 2 283.375 3.091 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nccn1C)c1ccc(F)c(F)c1 ZINC000187370045 518642338 /nfs/dbraw/zinc/64/23/38/518642338.db2.gz CCMCYIZDAKISQS-OAHLLOKOSA-N 1 2 277.318 3.105 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(C)s1 ZINC000352799276 526560587 /nfs/dbraw/zinc/56/05/87/526560587.db2.gz MBUDEOLMUOSBBE-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(C)s1 ZINC000352799276 526560591 /nfs/dbraw/zinc/56/05/91/526560591.db2.gz MBUDEOLMUOSBBE-UHFFFAOYSA-N 1 2 292.404 3.115 20 30 CGEDLO CCOc1ccc(C#N)cc1NCc1c[nH+]cn1C(C)C ZINC000424176691 528381908 /nfs/dbraw/zinc/38/19/08/528381908.db2.gz SLBYKOGZMBIMAF-UHFFFAOYSA-N 1 2 284.363 3.346 20 30 CGEDLO CC[N@@H+](Cc1ccnn1-c1ccccc1C)C[C@@H](C)C#N ZINC000353435325 528862999 /nfs/dbraw/zinc/86/29/99/528862999.db2.gz DSROGWFPDJWNBC-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@H+](Cc1ccnn1-c1ccccc1C)C[C@@H](C)C#N ZINC000353435325 528863004 /nfs/dbraw/zinc/86/30/04/528863004.db2.gz DSROGWFPDJWNBC-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(F)c1C#N ZINC000450823797 536116893 /nfs/dbraw/zinc/11/68/93/536116893.db2.gz CFWMPQKJWVIKHN-SNVBAGLBSA-N 1 2 258.300 3.087 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H](O)C2CCCCC2)c(O)c1 ZINC000727685681 571762921 /nfs/dbraw/zinc/76/29/21/571762921.db2.gz WWLRGMZIYRHAPC-AUUUKSDWSA-N 1 2 291.391 3.151 20 30 CGEDLO C#CC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000725806220 572411381 /nfs/dbraw/zinc/41/13/81/572411381.db2.gz WNBOMYXYICPPEC-CYBMUJFWSA-N 1 2 294.192 3.228 20 30 CGEDLO C#CC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000725806220 572411387 /nfs/dbraw/zinc/41/13/87/572411387.db2.gz WNBOMYXYICPPEC-CYBMUJFWSA-N 1 2 294.192 3.228 20 30 CGEDLO C[C@]1(C/[NH+]=C\c2c(O)ccc3ccccc32)CCOC1 ZINC000733080943 572506965 /nfs/dbraw/zinc/50/69/65/572506965.db2.gz HEIPRYNQXRURJV-RMFUMNGISA-N 1 2 269.344 3.391 20 30 CGEDLO Cc1cc(C)cc(C[C@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)c1 ZINC000741844927 572534898 /nfs/dbraw/zinc/53/48/98/572534898.db2.gz REDALTYNRJODKJ-GJUHEBOISA-N 1 2 299.370 3.470 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2CCSCC2)c(O)c1 ZINC000733204869 572542636 /nfs/dbraw/zinc/54/26/36/572542636.db2.gz CCZKUTRVHWFWCK-WJDWOHSUSA-N 1 2 279.405 3.353 20 30 CGEDLO C=C(Cl)C[NH+]1CCN(c2ccc(CC)cc2)CC1 ZINC000743868571 572692808 /nfs/dbraw/zinc/69/28/08/572692808.db2.gz YHMYQJYJPWACSQ-UHFFFAOYSA-N 1 2 264.800 3.124 20 30 CGEDLO C=CCCOCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000746881130 572899211 /nfs/dbraw/zinc/89/92/11/572899211.db2.gz KERTXYOMJBQKBQ-UHFFFAOYSA-N 1 2 299.374 3.225 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000749159610 572990000 /nfs/dbraw/zinc/99/00/00/572990000.db2.gz HDJPOTMLHZEJEA-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000749159610 572990001 /nfs/dbraw/zinc/99/00/01/572990001.db2.gz HDJPOTMLHZEJEA-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749943083 573064409 /nfs/dbraw/zinc/06/44/09/573064409.db2.gz XMVPNSRFXSUEDZ-QZTJIDSGSA-N 1 2 298.430 3.423 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749943083 573064415 /nfs/dbraw/zinc/06/44/15/573064415.db2.gz XMVPNSRFXSUEDZ-QZTJIDSGSA-N 1 2 298.430 3.423 20 30 CGEDLO C=C(Cl)C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000309643926 618931295 /nfs/dbraw/zinc/93/12/95/618931295.db2.gz PPJDBQGBLBLYDX-NSHDSACASA-N 1 2 258.148 3.253 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000981845282 613373528 /nfs/dbraw/zinc/37/35/28/613373528.db2.gz OIHOCQXTLRFULD-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000981845282 613373529 /nfs/dbraw/zinc/37/35/29/613373529.db2.gz OIHOCQXTLRFULD-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=CCCCN(CC)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000890809391 617865684 /nfs/dbraw/zinc/86/56/84/617865684.db2.gz TUICXQHZZKYZAT-UHFFFAOYSA-N 1 2 297.402 3.230 20 30 CGEDLO C=CCCCN(CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000890814882 617871673 /nfs/dbraw/zinc/87/16/73/617871673.db2.gz LAZFVNFNNPIVPM-UHFFFAOYSA-N 1 2 297.402 3.360 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000080275305 617983408 /nfs/dbraw/zinc/98/34/08/617983408.db2.gz BVMHRYHYCLXWKH-ZDUSSCGKSA-N 1 2 286.400 3.314 20 30 CGEDLO CC1(C)CCC/C(=C/c2cccc3[nH+]ccn32)C1=O ZINC000255396107 618285674 /nfs/dbraw/zinc/28/56/74/618285674.db2.gz VIIITYSIGAMWQA-QXMHVHEDSA-N 1 2 254.333 3.497 20 30 CGEDLO CC(C)(C)c1csc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000176107602 618341686 /nfs/dbraw/zinc/34/16/86/618341686.db2.gz GKTVLCQUHQHYOB-UHFFFAOYSA-N 1 2 289.404 3.278 20 30 CGEDLO Cc1nc(Nc2ccccc2)cc(N2CCC(C#N)CC2)[nH+]1 ZINC000892137479 618554072 /nfs/dbraw/zinc/55/40/72/618554072.db2.gz ACQINTWRZBAYSR-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc2c(cccc2F)n1CC ZINC000934465456 618625307 /nfs/dbraw/zinc/62/53/07/618625307.db2.gz DPECGCMEKOGMLZ-GFCCVEGCSA-N 1 2 273.355 3.346 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc2c(cccc2F)n1CC ZINC000934465456 618625309 /nfs/dbraw/zinc/62/53/09/618625309.db2.gz DPECGCMEKOGMLZ-GFCCVEGCSA-N 1 2 273.355 3.346 20 30 CGEDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000934480324 618630569 /nfs/dbraw/zinc/63/05/69/618630569.db2.gz XREMIGBLOYRTMO-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000934480324 618630573 /nfs/dbraw/zinc/63/05/73/618630573.db2.gz XREMIGBLOYRTMO-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC2(CCOC)CCC2)c1 ZINC000255545915 618662564 /nfs/dbraw/zinc/66/25/64/618662564.db2.gz WBTHVIUUJKDHHM-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(C#N)c1O ZINC000926667248 618811927 /nfs/dbraw/zinc/81/19/27/618811927.db2.gz HBWLTLIPGAKCMC-SUMWQHHRSA-N 1 2 295.386 3.331 20 30 CGEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)C2 ZINC000255886621 618848672 /nfs/dbraw/zinc/84/86/72/618848672.db2.gz AXVCAMJZMUQKQC-KAMYIIQDSA-N 1 2 274.323 3.465 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000925636794 619099904 /nfs/dbraw/zinc/09/99/04/619099904.db2.gz FKXIDHZONIWFPG-HOCLYGCPSA-N 1 2 282.391 3.274 20 30 CGEDLO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1O ZINC000925676074 619125395 /nfs/dbraw/zinc/12/53/95/619125395.db2.gz YIHBPNPJKKZDQG-HSMVNMDESA-N 1 2 288.391 3.261 20 30 CGEDLO CC(C)(CCC#N)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195055598 619146108 /nfs/dbraw/zinc/14/61/08/619146108.db2.gz DBNXIGOXDBBMSG-UHFFFAOYSA-N 1 2 297.358 3.359 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000893527409 619204338 /nfs/dbraw/zinc/20/43/38/619204338.db2.gz PHZXOBOTNUUGAG-SFHVURJKSA-N 1 2 283.419 3.395 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000893527409 619204339 /nfs/dbraw/zinc/20/43/39/619204339.db2.gz PHZXOBOTNUUGAG-SFHVURJKSA-N 1 2 283.419 3.395 20 30 CGEDLO CSc1ccc(C[N@H+](CCC#N)CC(C)C)o1 ZINC000893880576 619326487 /nfs/dbraw/zinc/32/64/87/619326487.db2.gz JZHMCFYZFNRKOB-UHFFFAOYSA-N 1 2 252.383 3.373 20 30 CGEDLO CSc1ccc(C[N@@H+](CCC#N)CC(C)C)o1 ZINC000893880576 619326489 /nfs/dbraw/zinc/32/64/89/619326489.db2.gz JZHMCFYZFNRKOB-UHFFFAOYSA-N 1 2 252.383 3.373 20 30 CGEDLO Cc1ncoc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000894085360 619366418 /nfs/dbraw/zinc/36/64/18/619366418.db2.gz ORDJJUJVAUKKKN-HOTGVXAUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncoc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000894085360 619366421 /nfs/dbraw/zinc/36/64/21/619366421.db2.gz ORDJJUJVAUKKKN-HOTGVXAUSA-N 1 2 281.359 3.255 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000894102167 619374347 /nfs/dbraw/zinc/37/43/47/619374347.db2.gz LHJJFAJVZQYPEV-CQSZACIVSA-N 1 2 298.415 3.310 20 30 CGEDLO NC(=[NH+]OC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000048416930 619493234 /nfs/dbraw/zinc/49/32/34/619493234.db2.gz DUJUJCWMEGRFNV-DAXSKMNVSA-N 1 2 270.307 3.176 20 30 CGEDLO CCN(CCC/[NH+]=C/c1cccc(O)c1O)c1ccccc1 ZINC000018138077 619520667 /nfs/dbraw/zinc/52/06/67/619520667.db2.gz XXQLAQKBHRMXIL-XMHGGMMESA-N 1 2 298.386 3.433 20 30 CGEDLO CCNc1cc(CNc2nc(C#N)c(Cl)s2)cc[nH+]1 ZINC000894871367 619661389 /nfs/dbraw/zinc/66/13/89/619661389.db2.gz BWOQZXRYQKDBTC-UHFFFAOYSA-N 1 2 293.783 3.107 20 30 CGEDLO C[C@@H](NN=Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000793115186 619680225 /nfs/dbraw/zinc/68/02/25/619680225.db2.gz PUXISFNIUFCTAO-CYBMUJFWSA-N 1 2 270.380 3.230 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000896280277 619985862 /nfs/dbraw/zinc/98/58/62/619985862.db2.gz FBCVKGZYPQUJHV-UHFFFAOYSA-N 1 2 295.361 3.261 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000896503723 620018437 /nfs/dbraw/zinc/01/84/37/620018437.db2.gz PRBUGJOTZPDQNC-ZDUSSCGKSA-N 1 2 280.318 3.066 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000896503723 620018440 /nfs/dbraw/zinc/01/84/40/620018440.db2.gz PRBUGJOTZPDQNC-ZDUSSCGKSA-N 1 2 280.318 3.066 20 30 CGEDLO CC[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc(C#N)c1O ZINC000927014595 620561049 /nfs/dbraw/zinc/56/10/49/620561049.db2.gz PAJKMCWIUXYCOU-WBVHZDCISA-N 1 2 288.391 3.264 20 30 CGEDLO COc1cccc2c1OC/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC000901459349 620894058 /nfs/dbraw/zinc/89/40/58/620894058.db2.gz LWNRXERZYIBYIY-KPKJPENVSA-N 1 2 298.342 3.131 20 30 CGEDLO Cc1cc(NCc2cc(C#N)cs2)nc(C(C)C)[nH+]1 ZINC000902185111 621178134 /nfs/dbraw/zinc/17/81/34/621178134.db2.gz FKQDPJRYMLQYDL-UHFFFAOYSA-N 1 2 272.377 3.454 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cc(C#N)ccn1 ZINC000902881741 621482836 /nfs/dbraw/zinc/48/28/36/621482836.db2.gz MCQKVFVXGLCUBD-CYBMUJFWSA-N 1 2 295.390 3.116 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cn1 ZINC000903102340 621576005 /nfs/dbraw/zinc/57/60/05/621576005.db2.gz WLWASLUPAZSJIZ-SECBINFHSA-N 1 2 271.286 3.301 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Cl)cn1 ZINC000903108821 621582249 /nfs/dbraw/zinc/58/22/49/621582249.db2.gz HKNSHKXQFJQBDP-NSHDSACASA-N 1 2 263.772 3.470 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1cccc(C#N)c1O ZINC000903356920 621713955 /nfs/dbraw/zinc/71/39/55/621713955.db2.gz VJYQPCSKNJOSPI-TZMCWYRMSA-N 1 2 288.391 3.262 20 30 CGEDLO CC(=NOCC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905473095 622079870 /nfs/dbraw/zinc/07/98/70/622079870.db2.gz DNBPAKWAGIDSMV-UHFFFAOYSA-N 1 2 255.321 3.023 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000755988642 625669001 /nfs/dbraw/zinc/66/90/01/625669001.db2.gz AYBCNNYDZJVHIM-BBRMVZONSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000755988642 625669009 /nfs/dbraw/zinc/66/90/09/625669009.db2.gz AYBCNNYDZJVHIM-BBRMVZONSA-N 1 2 291.366 3.298 20 30 CGEDLO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(F)cc1N(C)C ZINC000835000266 623847181 /nfs/dbraw/zinc/84/71/81/623847181.db2.gz JTSPWAVZEHXSDZ-SECBINFHSA-N 1 2 291.292 3.156 20 30 CGEDLO N#Cc1cc(CNc2ccc(N3CCCC3)c[nH+]2)cs1 ZINC000921566342 625681483 /nfs/dbraw/zinc/68/14/83/625681483.db2.gz NETPTLOTMFXUSS-UHFFFAOYSA-N 1 2 284.388 3.227 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993662350 624056814 /nfs/dbraw/zinc/05/68/14/624056814.db2.gz YSNUQHSAKYDGBT-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993662350 624056820 /nfs/dbraw/zinc/05/68/20/624056820.db2.gz YSNUQHSAKYDGBT-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccccc2)n1)C(C)C ZINC000917069057 624233305 /nfs/dbraw/zinc/23/33/05/624233305.db2.gz FOOQJYHNXOQTNH-UHFFFAOYSA-N 1 2 257.337 3.133 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccccc2)n1)C(C)C ZINC000917069057 624233306 /nfs/dbraw/zinc/23/33/06/624233306.db2.gz FOOQJYHNXOQTNH-UHFFFAOYSA-N 1 2 257.337 3.133 20 30 CGEDLO C#CC[C@@H]([NH2+]C1CCC2(CCCCC2)CC1)C(=O)OC ZINC000839166843 626324668 /nfs/dbraw/zinc/32/46/68/626324668.db2.gz BEBQAAICOGHMLC-OAHLLOKOSA-N 1 2 277.408 3.034 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(Cl)c1 ZINC000752076940 626416991 /nfs/dbraw/zinc/41/69/91/626416991.db2.gz RLEZEULROOZUDD-UHFFFAOYSA-N 1 2 252.144 3.062 20 30 CGEDLO C=C(Cl)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000839558803 626763315 /nfs/dbraw/zinc/76/33/15/626763315.db2.gz GFIJTRCTMLXBBH-UHFFFAOYSA-N 1 2 263.772 3.151 20 30 CGEDLO Cc1nc2ccccn2c1C[N@@H+](CCC#N)CC(C)C ZINC000759342347 626889403 /nfs/dbraw/zinc/88/94/03/626889403.db2.gz IJYWYLSDXWCLAP-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1nc2ccccn2c1C[N@H+](CCC#N)CC(C)C ZINC000759342347 626889407 /nfs/dbraw/zinc/88/94/07/626889407.db2.gz IJYWYLSDXWCLAP-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1cc(C)c(C=NNc2cc[nH+]c3ccccc23)[nH]1 ZINC000760252872 626948476 /nfs/dbraw/zinc/94/84/76/626948476.db2.gz MMKKEGCYCVWGNT-UHFFFAOYSA-N 1 2 264.332 3.048 20 30 CGEDLO CCCCCCCCn1ncc2c1nc[nH+]c2NC ZINC000766708592 627353746 /nfs/dbraw/zinc/35/37/46/627353746.db2.gz BZSFVMGLMGAVCH-UHFFFAOYSA-N 1 2 261.373 3.229 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000769961272 627593095 /nfs/dbraw/zinc/59/30/95/627593095.db2.gz QADZWVSISMNLET-OAHLLOKOSA-N 1 2 292.382 3.246 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000769961272 627593097 /nfs/dbraw/zinc/59/30/97/627593097.db2.gz QADZWVSISMNLET-OAHLLOKOSA-N 1 2 292.382 3.246 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000772777544 627821076 /nfs/dbraw/zinc/82/10/76/627821076.db2.gz IRYCEEDWUXUXNI-CABCVRRESA-N 1 2 287.403 3.331 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000772777544 627821077 /nfs/dbraw/zinc/82/10/77/627821077.db2.gz IRYCEEDWUXUXNI-CABCVRRESA-N 1 2 287.403 3.331 20 30 CGEDLO Cc1cccn2c(/C=C3/Oc4cc(F)ccc4C3=O)c[nH+]c12 ZINC000773171943 627864868 /nfs/dbraw/zinc/86/48/68/627864868.db2.gz KUYMVPCFWKMQHL-OVCLIPMQSA-N 1 2 294.285 3.398 20 30 CGEDLO Cc1cc(Nc2ccncc2C#N)ccc1[NH+](C)C ZINC000775444775 628095784 /nfs/dbraw/zinc/09/57/84/628095784.db2.gz CBCMAKOFLZKCFB-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC2([C@H](C)CCO)CCC2)c1 ZINC000775629408 628116256 /nfs/dbraw/zinc/11/62/56/628116256.db2.gz HBGYATVINVMBOT-VBEHJTROSA-N 1 2 291.391 3.009 20 30 CGEDLO CC(=NNc1cc[nH+]cc1)c1[nH]c(-c2ccccc2)nc1C ZINC000779811781 628434448 /nfs/dbraw/zinc/43/44/48/628434448.db2.gz VDVFIZCKPFGASN-UHFFFAOYSA-N 1 2 291.358 3.038 20 30 CGEDLO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccccc1N(C)C ZINC000779819277 628435443 /nfs/dbraw/zinc/43/54/43/628435443.db2.gz RBKDBNZDPSTETI-UHFFFAOYSA-N 1 2 293.374 3.465 20 30 CGEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(C#N)c(C)c1 ZINC000782999933 628672044 /nfs/dbraw/zinc/67/20/44/628672044.db2.gz FEYMDUKAZHRHPI-UHFFFAOYSA-N 1 2 279.343 3.222 20 30 CGEDLO C=C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783559527 628725781 /nfs/dbraw/zinc/72/57/81/628725781.db2.gz QGNWCKXDOPFGCP-UHFFFAOYSA-N 1 2 266.728 3.400 20 30 CGEDLO C=CCCCCC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000785675539 628879587 /nfs/dbraw/zinc/87/95/87/628879587.db2.gz RKEUCBHKYUCNAX-CQSZACIVSA-N 1 2 291.395 3.067 20 30 CGEDLO C=CCCCCC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000785675539 628879589 /nfs/dbraw/zinc/87/95/89/628879589.db2.gz RKEUCBHKYUCNAX-CQSZACIVSA-N 1 2 291.395 3.067 20 30 CGEDLO CCc1cccc(Cl)c1C=NNc1[nH+]ccn1C ZINC000790302251 629201754 /nfs/dbraw/zinc/20/17/54/629201754.db2.gz KNOGQRUFEAPCBT-UHFFFAOYSA-N 1 2 262.744 3.082 20 30 CGEDLO CCCCCCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000875765797 634731801 /nfs/dbraw/zinc/73/18/01/634731801.db2.gz ZOQCPZUCGVVCJA-UHFFFAOYSA-N 1 2 292.427 3.200 20 30 CGEDLO C=C(C)CCO[NH+]=C(N)Cc1ccccc1Cl ZINC000795206356 629645606 /nfs/dbraw/zinc/64/56/06/629645606.db2.gz NDWDMUWKCSYSNE-UHFFFAOYSA-N 1 2 252.745 3.347 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000796641307 629808953 /nfs/dbraw/zinc/80/89/53/629808953.db2.gz OPYJUPJYNNCXRN-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000796641307 629808956 /nfs/dbraw/zinc/80/89/56/629808956.db2.gz OPYJUPJYNNCXRN-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000796641362 629809310 /nfs/dbraw/zinc/80/93/10/629809310.db2.gz PLDFXVAHDXGARB-UHFFFAOYSA-N 1 2 295.382 3.339 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000796641362 629809311 /nfs/dbraw/zinc/80/93/11/629809311.db2.gz PLDFXVAHDXGARB-UHFFFAOYSA-N 1 2 295.382 3.339 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CCCS2)c1 ZINC000864347313 629815828 /nfs/dbraw/zinc/81/58/28/629815828.db2.gz OSAOWEIDMCCXCP-QQFZQELXSA-N 1 2 265.378 3.105 20 30 CGEDLO CC(C)(C)c1cn(Cc2ccc(CC#N)cc2)c[nH+]1 ZINC000865376409 630087375 /nfs/dbraw/zinc/08/73/75/630087375.db2.gz MGZZBBIYKKYTLE-UHFFFAOYSA-N 1 2 253.349 3.295 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2ccc3[nH]ccc3c2)c1O ZINC000799742970 630230234 /nfs/dbraw/zinc/23/02/34/630230234.db2.gz PWVAHDYORCEXDC-WQRHYEAKSA-N 1 2 280.327 3.241 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCC2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000801646634 630349477 /nfs/dbraw/zinc/34/94/77/630349477.db2.gz UUBVRWMJDDFLIB-AGGCCLRTSA-N 1 2 291.391 3.413 20 30 CGEDLO CCc1cc(OCCO[C@@H](C)C#N)c2ccccc2[nH+]1 ZINC000802733686 630406510 /nfs/dbraw/zinc/40/65/10/630406510.db2.gz XFHWKJDKBNQSLD-LBPRGKRZSA-N 1 2 270.332 3.105 20 30 CGEDLO C=CC[N@@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000840047423 630532279 /nfs/dbraw/zinc/53/22/79/630532279.db2.gz KLZCUFPZKUMCQO-INIZCTEOSA-N 1 2 284.403 3.206 20 30 CGEDLO C=CC[N@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000840047423 630532284 /nfs/dbraw/zinc/53/22/84/630532284.db2.gz KLZCUFPZKUMCQO-INIZCTEOSA-N 1 2 284.403 3.206 20 30 CGEDLO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000808431198 630644413 /nfs/dbraw/zinc/64/44/13/630644413.db2.gz PDIZMXZBIJMFTR-HNNXBMFYSA-N 1 2 293.361 3.314 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809566155 630751194 /nfs/dbraw/zinc/75/11/94/630751194.db2.gz HGGBTZUPZQYADY-ZDUSSCGKSA-N 1 2 297.443 3.256 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809566155 630751200 /nfs/dbraw/zinc/75/12/00/630751200.db2.gz HGGBTZUPZQYADY-ZDUSSCGKSA-N 1 2 297.443 3.256 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000809662987 630777037 /nfs/dbraw/zinc/77/70/37/630777037.db2.gz OTDAYWUNTCXOQW-UHFFFAOYSA-N 1 2 281.330 3.202 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000809662987 630777043 /nfs/dbraw/zinc/77/70/43/630777043.db2.gz OTDAYWUNTCXOQW-UHFFFAOYSA-N 1 2 281.330 3.202 20 30 CGEDLO C#CC[N@H+](Cc1[nH]nc2ccccc21)Cc1ccccc1 ZINC000809715837 630789546 /nfs/dbraw/zinc/78/95/46/630789546.db2.gz HFXJNPARHMWZRF-UHFFFAOYSA-N 1 2 275.355 3.198 20 30 CGEDLO C#CC[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccccc1 ZINC000809715837 630789547 /nfs/dbraw/zinc/78/95/47/630789547.db2.gz HFXJNPARHMWZRF-UHFFFAOYSA-N 1 2 275.355 3.198 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811466817 631069666 /nfs/dbraw/zinc/06/96/66/631069666.db2.gz YWURFOMLMIXCRB-UHFFFAOYSA-N 1 2 290.288 3.036 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811466817 631069674 /nfs/dbraw/zinc/06/96/74/631069674.db2.gz YWURFOMLMIXCRB-UHFFFAOYSA-N 1 2 290.288 3.036 20 30 CGEDLO C=CCCCCCCCNc1[nH+]cnc2c1cnn2C ZINC000811628019 631093243 /nfs/dbraw/zinc/09/32/43/631093243.db2.gz LATCRWZRIZTFPA-UHFFFAOYSA-N 1 2 273.384 3.302 20 30 CGEDLO C[C@H](CC#N)N[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811645236 631095422 /nfs/dbraw/zinc/09/54/22/631095422.db2.gz FCRLWPRAOLGJNW-SECBINFHSA-N 1 2 299.205 3.285 20 30 CGEDLO N#Cc1ccc2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)C2 ZINC000811692915 631110437 /nfs/dbraw/zinc/11/04/37/631110437.db2.gz DAEZFCSQIKARAS-GXDHUFHOSA-N 1 2 285.306 3.028 20 30 CGEDLO N#Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3ccccn13)C2 ZINC000811695373 631111116 /nfs/dbraw/zinc/11/11/16/631111116.db2.gz FCBZLHAPYJKCEI-ZROIWOOFSA-N 1 2 285.306 3.028 20 30 CGEDLO Clc1ncccc1C=NNc1cc[nH+]c2ccccc12 ZINC000814841133 631652677 /nfs/dbraw/zinc/65/26/77/631652677.db2.gz CFBGCUBYTMSVPR-UHFFFAOYSA-N 1 2 282.734 3.151 20 30 CGEDLO CC1(C)CC(=[NH+]O[C@H]2CCCCO2)c2cc(N)ccc2O1 ZINC000814888256 631667032 /nfs/dbraw/zinc/66/70/32/631667032.db2.gz TVIYBDBOCDEZOE-HNNXBMFYSA-N 1 2 290.363 3.077 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000815280857 631753804 /nfs/dbraw/zinc/75/38/04/631753804.db2.gz SWQLTVNKHGCKHQ-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000815280857 631753808 /nfs/dbraw/zinc/75/38/08/631753808.db2.gz SWQLTVNKHGCKHQ-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866258794 633047664 /nfs/dbraw/zinc/04/76/64/633047664.db2.gz AZUCQHPVROBWTJ-CHWSQXEVSA-N 1 2 296.370 3.251 20 30 CGEDLO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866258795 633047968 /nfs/dbraw/zinc/04/79/68/633047968.db2.gz AZUCQHPVROBWTJ-OLZOCXBDSA-N 1 2 296.370 3.251 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823063978 633054234 /nfs/dbraw/zinc/05/42/34/633054234.db2.gz XFEHBSCQHKIMQW-ZDUSSCGKSA-N 1 2 265.401 3.065 20 30 CGEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866282973 633065193 /nfs/dbraw/zinc/06/51/93/633065193.db2.gz SYWNFAOSWJFYHU-STQMWFEESA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C#N)c1O ZINC000866300662 633070831 /nfs/dbraw/zinc/07/08/31/633070831.db2.gz WASAPEZNKPDOBD-CYBMUJFWSA-N 1 2 295.386 3.181 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866324659 633082280 /nfs/dbraw/zinc/08/22/80/633082280.db2.gz UQXKAVIEHRLILS-KOLCDFICSA-N 1 2 266.291 3.102 20 30 CGEDLO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866363317 633102080 /nfs/dbraw/zinc/10/20/80/633102080.db2.gz IXSYAJKGBFXAGV-KBPBESRZSA-N 1 2 289.423 3.035 20 30 CGEDLO CCOC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCCC1 ZINC000866363742 633102665 /nfs/dbraw/zinc/10/26/65/633102665.db2.gz NDBGQYHCHDDBLT-ZDUSSCGKSA-N 1 2 288.391 3.264 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@@H]1CCCCO1 ZINC000866387460 633116112 /nfs/dbraw/zinc/11/61/12/633116112.db2.gz RIJRTHBLRCTJSH-KCXAZCMYSA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866393806 633120545 /nfs/dbraw/zinc/12/05/45/633120545.db2.gz SDZQUBGPJXSSTQ-MWLCHTKSSA-N 1 2 299.201 3.498 20 30 CGEDLO N#CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000825722097 633377692 /nfs/dbraw/zinc/37/76/92/633377692.db2.gz XCPGXBOBGXHFHB-UHFFFAOYSA-N 1 2 279.137 3.199 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486107 633618813 /nfs/dbraw/zinc/61/88/13/633618813.db2.gz CANGYKGTZIEUHR-KOLCDFICSA-N 1 2 261.196 3.194 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486107 633618819 /nfs/dbraw/zinc/61/88/19/633618819.db2.gz CANGYKGTZIEUHR-KOLCDFICSA-N 1 2 261.196 3.194 20 30 CGEDLO Nc1ccc2c([nH+]1)CCCC2=NOCc1ccc(F)cc1 ZINC000834969649 634298494 /nfs/dbraw/zinc/29/84/94/634298494.db2.gz UHPDZUIHVUXXJI-UHFFFAOYSA-N 1 2 285.322 3.060 20 30 CGEDLO Nc1ccc2c(n1)CCCC2=[NH+]OCc1ccc(F)cc1 ZINC000834969649 634298497 /nfs/dbraw/zinc/29/84/97/634298497.db2.gz UHPDZUIHVUXXJI-UHFFFAOYSA-N 1 2 285.322 3.060 20 30 CGEDLO Cc1cccc(F)c1N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834970552 634299059 /nfs/dbraw/zinc/29/90/59/634299059.db2.gz XPRQPNVREHMOCL-UHFFFAOYSA-N 1 2 284.338 3.264 20 30 CGEDLO Cc1ccc(CNN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000835009526 634314669 /nfs/dbraw/zinc/31/46/69/634314669.db2.gz UTVLKXKITXDBPH-UHFFFAOYSA-N 1 2 294.402 3.136 20 30 CGEDLO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC#N ZINC000835025967 634324741 /nfs/dbraw/zinc/32/47/41/634324741.db2.gz PDSRTHSQWGFRNM-FNORWQNLSA-N 1 2 257.381 3.001 20 30 CGEDLO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCC#N ZINC000835025967 634324746 /nfs/dbraw/zinc/32/47/46/634324746.db2.gz PDSRTHSQWGFRNM-FNORWQNLSA-N 1 2 257.381 3.001 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(F)cc(F)c1O ZINC000840787763 635053294 /nfs/dbraw/zinc/05/32/94/635053294.db2.gz PMFHQJNNJPQMHX-VIFPVBQESA-N 1 2 268.307 3.261 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(CCF)CC2)c1 ZINC000877674171 635142213 /nfs/dbraw/zinc/14/22/13/635142213.db2.gz NKAFYUIEJSUCGO-UHFFFAOYSA-N 1 2 281.762 3.178 20 30 CGEDLO C=CC(C)(C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000878399333 635487790 /nfs/dbraw/zinc/48/77/90/635487790.db2.gz QVWPFTJZGJGTRR-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO C=CC[C@H](C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000878656984 635593617 /nfs/dbraw/zinc/59/36/17/635593617.db2.gz DERARPDERIVLGI-ZDUSSCGKSA-N 1 2 253.349 3.153 20 30 CGEDLO C=CC[C@H](C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000878656984 635593621 /nfs/dbraw/zinc/59/36/21/635593621.db2.gz DERARPDERIVLGI-ZDUSSCGKSA-N 1 2 253.349 3.153 20 30 CGEDLO C[C@H](CC(=O)O[C@H](C)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000844417914 635895695 /nfs/dbraw/zinc/89/56/95/635895695.db2.gz XHDUOBRKPAJNQT-CHWSQXEVSA-N 1 2 283.331 3.010 20 30 CGEDLO C=C[C@H](C)ON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000844622032 635944880 /nfs/dbraw/zinc/94/48/80/635944880.db2.gz SKMTUSGZHOIUDZ-LBPRGKRZSA-N 1 2 257.337 3.383 20 30 CGEDLO CC(C)[C@H](C/[NH+]=C/c1ccccc1O)C(=O)OC(C)(C)C ZINC000846756240 636230852 /nfs/dbraw/zinc/23/08/52/636230852.db2.gz IQJLFYMLQJIJMW-XKYMITNMSA-N 1 2 291.391 3.425 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000847032975 636318407 /nfs/dbraw/zinc/31/84/07/636318407.db2.gz ZKUBZQYHTPTLTC-LBPRGKRZSA-N 1 2 262.422 3.286 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000847032975 636318413 /nfs/dbraw/zinc/31/84/13/636318413.db2.gz ZKUBZQYHTPTLTC-LBPRGKRZSA-N 1 2 262.422 3.286 20 30 CGEDLO CC[C@H]1C[C@@H](C)CCC1N=NCCCn1cc[nH+]c1 ZINC000848419192 636572983 /nfs/dbraw/zinc/57/29/83/636572983.db2.gz VSJFPDXTDGUCGR-KBPBESRZSA-N 1 2 262.401 3.065 20 30 CGEDLO C#C[C@H]1CCCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000848751700 636650684 /nfs/dbraw/zinc/65/06/84/636650684.db2.gz STELMGFEKRZMAX-ZDUSSCGKSA-N 1 2 266.344 3.093 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C#N)C3CCCCC3)ccn12 ZINC000848781470 636656567 /nfs/dbraw/zinc/65/65/67/636656567.db2.gz KMIQBARLQXWWPV-HNNXBMFYSA-N 1 2 297.358 3.272 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000848923551 636694026 /nfs/dbraw/zinc/69/40/26/636694026.db2.gz GMFRASMKEJDSNM-JTQLQIEISA-N 1 2 267.731 3.030 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000848923551 636694029 /nfs/dbraw/zinc/69/40/29/636694029.db2.gz GMFRASMKEJDSNM-JTQLQIEISA-N 1 2 267.731 3.030 20 30 CGEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)CCC1 ZINC000886206653 637457864 /nfs/dbraw/zinc/45/78/64/637457864.db2.gz ZTQOPRMZKBOEIW-ZDUSSCGKSA-N 1 2 290.794 3.100 20 30 CGEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)CCC1 ZINC000886206653 637457871 /nfs/dbraw/zinc/45/78/71/637457871.db2.gz ZTQOPRMZKBOEIW-ZDUSSCGKSA-N 1 2 290.794 3.100 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC[C@@H]2CC(C)(C)CO2)c1 ZINC000887269923 637786935 /nfs/dbraw/zinc/78/69/35/637786935.db2.gz DIZJBLQFBKTQJH-AYCSXLNKSA-N 1 2 277.364 3.025 20 30 CGEDLO NC(=[NH+]OCc1nc2ccccc2s1)c1ccccc1 ZINC000005295715 637812695 /nfs/dbraw/zinc/81/26/95/637812695.db2.gz MRRDHWHJRJUMRD-UHFFFAOYSA-N 1 2 283.356 3.133 20 30 CGEDLO C[C@H]1CCCCN1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000853379773 637828423 /nfs/dbraw/zinc/82/84/23/637828423.db2.gz JKERGBJCTOHKFR-AWEZNQCLSA-N 1 2 268.364 3.081 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc2ccccn2c1=S ZINC000853599919 637871697 /nfs/dbraw/zinc/87/16/97/637871697.db2.gz YLGQQPBBLLJISA-BETUJISGSA-N 1 2 286.404 3.006 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc2ccccn2c1=S ZINC000853599919 637871701 /nfs/dbraw/zinc/87/17/01/637871701.db2.gz YLGQQPBBLLJISA-BETUJISGSA-N 1 2 286.404 3.006 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@H](CC)C1 ZINC000853698642 637895821 /nfs/dbraw/zinc/89/58/21/637895821.db2.gz ZMFRUFGUAZXZGE-LSDHHAIUSA-N 1 2 288.391 3.243 20 30 CGEDLO C=C1CCC(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000887892718 637920572 /nfs/dbraw/zinc/92/05/72/637920572.db2.gz HMRGBCIORAMTJT-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C=C[C@@H](OC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000857658338 638547246 /nfs/dbraw/zinc/54/72/46/638547246.db2.gz GHXZQAIYMVHFAC-OAHLLOKOSA-N 1 2 270.332 3.134 20 30 CGEDLO CC[C@H]([NH2+]CC1(COC)CCC1)c1cccc(C#N)c1O ZINC000926361292 638766304 /nfs/dbraw/zinc/76/63/04/638766304.db2.gz LOCCCXIOELPHET-HNNXBMFYSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+]CCC1(OC)CCC1)c1cccc(C#N)c1O ZINC000926483297 638775934 /nfs/dbraw/zinc/77/59/34/638775934.db2.gz VVFLXBBIUOTGRJ-HNNXBMFYSA-N 1 2 288.391 3.264 20 30 CGEDLO C#CCCCCCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927085920 638839639 /nfs/dbraw/zinc/83/96/39/638839639.db2.gz SMYOZMONRORTOT-UHFFFAOYSA-N 1 2 299.418 3.068 20 30 CGEDLO C=C1CCC(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000927104529 638842738 /nfs/dbraw/zinc/84/27/38/638842738.db2.gz MUSVVEIQRANVIE-UHFFFAOYSA-N 1 2 299.418 3.231 20 30 CGEDLO C#CC[C@H]1CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000858599411 638999900 /nfs/dbraw/zinc/99/99/00/638999900.db2.gz MDBFLIONISHPLS-AWEZNQCLSA-N 1 2 290.370 3.122 20 30 CGEDLO C#CC[C@H](COC)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000858860179 639031638 /nfs/dbraw/zinc/03/16/38/639031638.db2.gz GCAZKFJKCLLSDG-LLVKDONJSA-N 1 2 274.751 3.338 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000932151567 639276945 /nfs/dbraw/zinc/27/69/45/639276945.db2.gz ZKLPQLGEKWEQEE-BHYGNILZSA-N 1 2 270.376 3.142 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000932151567 639276948 /nfs/dbraw/zinc/27/69/48/639276948.db2.gz ZKLPQLGEKWEQEE-BHYGNILZSA-N 1 2 270.376 3.142 20 30 CGEDLO CCCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932152789 639277229 /nfs/dbraw/zinc/27/72/29/639277229.db2.gz UPFGRHKDVRMPMD-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932152789 639277240 /nfs/dbraw/zinc/27/72/40/639277240.db2.gz UPFGRHKDVRMPMD-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C#N)C3)cc2c1 ZINC000932155041 639277811 /nfs/dbraw/zinc/27/78/11/639277811.db2.gz VVBRMHCWVGNPHJ-CQSZACIVSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@H](C#N)C3)cc2c1 ZINC000932155041 639277813 /nfs/dbraw/zinc/27/78/13/639277813.db2.gz VVBRMHCWVGNPHJ-CQSZACIVSA-N 1 2 265.360 3.279 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000932157158 639277869 /nfs/dbraw/zinc/27/78/69/639277869.db2.gz WAETWQUUHLMZGP-LBPRGKRZSA-N 1 2 266.291 3.024 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000932157158 639277873 /nfs/dbraw/zinc/27/78/73/639277873.db2.gz WAETWQUUHLMZGP-LBPRGKRZSA-N 1 2 266.291 3.024 20 30 CGEDLO Clc1ccccc1C#CC[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932354836 639320926 /nfs/dbraw/zinc/32/09/26/639320926.db2.gz YMYSMVVSYMNGOV-MRXNPFEDSA-N 1 2 297.789 3.222 20 30 CGEDLO C[C@@](C#N)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC000932887123 639393527 /nfs/dbraw/zinc/39/35/27/639393527.db2.gz QDRUQLIRUJZVNI-KRWDZBQOSA-N 1 2 296.374 3.155 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCCOCC2CC2)c1O ZINC000078441868 640314670 /nfs/dbraw/zinc/31/46/70/640314670.db2.gz VYBCKRXBYYCBCJ-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CN(CCC#N)c1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000192150607 640352053 /nfs/dbraw/zinc/35/20/53/640352053.db2.gz RYXVMEZYVFUBMH-UHFFFAOYSA-N 1 2 284.338 3.183 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016311401 640993841 /nfs/dbraw/zinc/99/38/41/640993841.db2.gz SKMGLLKVGJFBKS-ZBFHGGJFSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016311401 640993843 /nfs/dbraw/zinc/99/38/43/640993843.db2.gz SKMGLLKVGJFBKS-ZBFHGGJFSA-N 1 2 296.842 3.066 20 30 CGEDLO CC(C)(C)OC(=O)CCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155679505 805604752 /nfs/dbraw/zinc/60/47/52/805604752.db2.gz OFOYUAPTBHTKFL-UHFFFAOYSA-N 1 2 297.358 3.250 20 30 CGEDLO COc1ccc2[nH]c(CCc3ccc(C#N)cc3)[nH+]c2c1 ZINC001250582012 805707611 /nfs/dbraw/zinc/70/76/11/805707611.db2.gz RIIPRTIPHUZWQL-UHFFFAOYSA-N 1 2 277.327 3.228 20 30 CGEDLO C[C@H](Nc1ccc(Cl)c(N)[nH+]1)c1cccc(C#N)c1 ZINC001156876140 805743855 /nfs/dbraw/zinc/74/38/55/805743855.db2.gz KUBFURABKGUOIL-VIFPVBQESA-N 1 2 272.739 3.362 20 30 CGEDLO Cc1c[nH+]c(NC[C@H](C)c2ccc(O)cc2)c(/C=N/O)c1 ZINC001158607780 805974473 /nfs/dbraw/zinc/97/44/73/805974473.db2.gz QROILNUGMAQAKA-NJDFMEINSA-N 1 2 285.347 3.119 20 30 CGEDLO C#C[C@@](C)(CC)Nc1ccc2c(cc(OC)cc2OC)[nH+]1 ZINC001158742666 805993826 /nfs/dbraw/zinc/99/38/26/805993826.db2.gz KBTOFKPMUYMABH-KRWDZBQOSA-N 1 2 284.359 3.466 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252132205 806017336 /nfs/dbraw/zinc/01/73/36/806017336.db2.gz CAGKBPONHCDWDN-OAHLLOKOSA-N 1 2 294.439 3.453 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252132205 806017345 /nfs/dbraw/zinc/01/73/45/806017345.db2.gz CAGKBPONHCDWDN-OAHLLOKOSA-N 1 2 294.439 3.453 20 30 CGEDLO CSc1nc(NCc2ccc(C#N)s2)cc(C)[nH+]1 ZINC001159172201 806056208 /nfs/dbraw/zinc/05/62/08/806056208.db2.gz CWMKPACIQDBSGK-UHFFFAOYSA-N 1 2 276.390 3.052 20 30 CGEDLO CC(=O)CC(C)(C)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001160294706 806251404 /nfs/dbraw/zinc/25/14/04/806251404.db2.gz OCOKXWLGZYHKBL-UHFFFAOYSA-N 1 2 267.332 3.276 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ccc(C2(C#N)CCC2)cn1 ZINC001161565700 806393908 /nfs/dbraw/zinc/39/39/08/806393908.db2.gz RAAUETWLPLQQHA-UHFFFAOYSA-N 1 2 295.390 3.416 20 30 CGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCc2ccccc2CC1)C(=O)OCC ZINC001254455110 806406646 /nfs/dbraw/zinc/40/66/46/806406646.db2.gz WVVYGKSABGZZGN-LPHOPBHVSA-N 1 2 299.414 3.031 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1COc2cc(Cl)ccc21 ZINC001255162668 806561329 /nfs/dbraw/zinc/56/13/29/806561329.db2.gz WESLNYGWPIIZRW-JQWIXIFHSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC001255165154 806563694 /nfs/dbraw/zinc/56/36/94/806563694.db2.gz UUWAFFBAKJTPDH-NSHDSACASA-N 1 2 273.311 3.263 20 30 CGEDLO C[N@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000157802556 799069662 /nfs/dbraw/zinc/06/96/62/799069662.db2.gz DIJFWMYPXYZJTL-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000157802556 799069670 /nfs/dbraw/zinc/06/96/70/799069670.db2.gz DIJFWMYPXYZJTL-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO CC(=[NH+]NC1CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000381637481 799384639 /nfs/dbraw/zinc/38/46/39/799384639.db2.gz OMXDWFFKHQYNHB-UHFFFAOYSA-N 1 2 258.152 3.052 20 30 CGEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)[C@@H]1CCCO1 ZINC001163479265 806768911 /nfs/dbraw/zinc/76/89/11/806768911.db2.gz RJVPTNSINZGUHV-NHYWBVRUSA-N 1 2 267.332 3.086 20 30 CGEDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000708708585 799992441 /nfs/dbraw/zinc/99/24/41/799992441.db2.gz YIDNNYCPPUUTIW-CYBMUJFWSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000708708585 799992443 /nfs/dbraw/zinc/99/24/43/799992443.db2.gz YIDNNYCPPUUTIW-CYBMUJFWSA-N 1 2 286.272 3.472 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1c(OC)cccc1OC ZINC000713889046 800114565 /nfs/dbraw/zinc/11/45/65/800114565.db2.gz SLJDEERYRQHSRL-NWDGAFQWSA-N 1 2 262.353 3.047 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425746 800727822 /nfs/dbraw/zinc/72/78/22/800727822.db2.gz JGZVKJRWXGMHFT-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425746 800727829 /nfs/dbraw/zinc/72/78/29/800727829.db2.gz JGZVKJRWXGMHFT-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO N#Cc1ccc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)nc1 ZINC001163984293 806869318 /nfs/dbraw/zinc/86/93/18/806869318.db2.gz SIYHGMWSVKOVRT-INIZCTEOSA-N 1 2 289.342 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088919822 801814883 /nfs/dbraw/zinc/81/48/83/801814883.db2.gz CFWXBIZWXRHOEZ-YPMHNXCESA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088919822 801814890 /nfs/dbraw/zinc/81/48/90/801814890.db2.gz CFWXBIZWXRHOEZ-YPMHNXCESA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(C)C)C2 ZINC001109863336 802124620 /nfs/dbraw/zinc/12/46/20/802124620.db2.gz QJIGJUXYMLJSED-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(C)C)C2 ZINC001109863336 802124624 /nfs/dbraw/zinc/12/46/24/802124624.db2.gz QJIGJUXYMLJSED-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO CC#CC[NH+]1CCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC001113528780 802229570 /nfs/dbraw/zinc/22/95/70/802229570.db2.gz QMSFXJFEXMETRH-QGZVFWFLSA-N 1 2 292.467 3.151 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)cccc1N(C)C ZINC001116594050 802384305 /nfs/dbraw/zinc/38/43/05/802384305.db2.gz CZBIPDCOTPIFRN-LLVKDONJSA-N 1 2 265.788 3.188 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001120813610 802781016 /nfs/dbraw/zinc/78/10/16/802781016.db2.gz ICFOICJNNGUMTH-MRXNPFEDSA-N 1 2 297.402 3.142 20 30 CGEDLO C=C[C@H](CC(=O)OCCCc1c[nH+]cn1C)c1ccccc1 ZINC001123066095 802908279 /nfs/dbraw/zinc/90/82/79/802908279.db2.gz NRHSWKSAPHJUIL-OAHLLOKOSA-N 1 2 298.386 3.256 20 30 CGEDLO CO[C@H]1CC=C(c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)CC1 ZINC001243806817 803022333 /nfs/dbraw/zinc/02/23/33/803022333.db2.gz LHEPZHJCMDMECJ-QUYZQLMHSA-N 1 2 283.375 3.362 20 30 CGEDLO Cc1ccc(-c2c[nH+]c(N3CCOCC3)cc2C)cc1C#N ZINC001244484790 803395382 /nfs/dbraw/zinc/39/53/82/803395382.db2.gz QQUWOQIIRGERIP-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C#Cc1cc(Nc2c(F)cccc2OCCC)cc[nH+]1 ZINC001211783436 814941053 /nfs/dbraw/zinc/94/10/53/814941053.db2.gz NHGSHOGWFCHQGL-UHFFFAOYSA-N 1 2 270.307 3.156 20 30 CGEDLO COc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001244709514 803508408 /nfs/dbraw/zinc/50/84/08/803508408.db2.gz VKAQCGGBVRSBMP-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO Cc1cc(-c2cccc(C#N)c2F)c2[nH+]ccn2c1 ZINC001245068372 803629967 /nfs/dbraw/zinc/62/99/67/803629967.db2.gz GXDLSBVYTCYVGW-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CCCCN(CCC#N)Cc1c[nH+]c2c(C)cccn12 ZINC001136963046 803663398 /nfs/dbraw/zinc/66/33/98/803663398.db2.gz IICWDWUUVIVBPE-UHFFFAOYSA-N 1 2 270.380 3.159 20 30 CGEDLO Cc1ccc(Br)c(C[NH+]2CC(CC#N)C2)c1 ZINC001137380261 803725986 /nfs/dbraw/zinc/72/59/86/803725986.db2.gz FVLLJNPNXHJDIU-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO Cc1cc(-c2cccc3[nH]cc(CC#N)c32)c[nH+]c1N ZINC001245538926 803796426 /nfs/dbraw/zinc/79/64/26/803796426.db2.gz KKVIAFPIEZZLII-UHFFFAOYSA-N 1 2 262.316 3.187 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137891329 803797239 /nfs/dbraw/zinc/79/72/39/803797239.db2.gz KVPFHUQXSKLQMA-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137891329 803797244 /nfs/dbraw/zinc/79/72/44/803797244.db2.gz KVPFHUQXSKLQMA-SNVBAGLBSA-N 1 2 268.282 3.230 20 30 CGEDLO C(#Cc1ccc(C[NH+]2CC3(CCO3)C2)cc1)c1ccccc1 ZINC001138336711 803899772 /nfs/dbraw/zinc/89/97/72/803899772.db2.gz WZUYMFPUOCXKJG-UHFFFAOYSA-N 1 2 289.378 3.061 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)c2c(OC)cccc12 ZINC001138752900 804029961 /nfs/dbraw/zinc/02/99/61/804029961.db2.gz YHVZIVRJVZGEBT-ZDUSSCGKSA-N 1 2 296.370 3.202 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@@H](C#N)C2)c2c(OC)cccc12 ZINC001138752900 804029965 /nfs/dbraw/zinc/02/99/65/804029965.db2.gz YHVZIVRJVZGEBT-ZDUSSCGKSA-N 1 2 296.370 3.202 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001139031001 804114114 /nfs/dbraw/zinc/11/41/14/804114114.db2.gz OPRFQBSAZBPSMW-MRXNPFEDSA-N 1 2 295.386 3.379 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001139031001 804114118 /nfs/dbraw/zinc/11/41/18/804114118.db2.gz OPRFQBSAZBPSMW-MRXNPFEDSA-N 1 2 295.386 3.379 20 30 CGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@H](F)C3)cn2)cc1 ZINC001139426269 804188872 /nfs/dbraw/zinc/18/88/72/804188872.db2.gz GVLMQMSACYENEK-HNNXBMFYSA-N 1 2 297.333 3.289 20 30 CGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@H](F)C3)cn2)cc1 ZINC001139426269 804188877 /nfs/dbraw/zinc/18/88/77/804188877.db2.gz GVLMQMSACYENEK-HNNXBMFYSA-N 1 2 297.333 3.289 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Cl)ccn1)C1CCCC1 ZINC001139562909 804211305 /nfs/dbraw/zinc/21/13/05/804211305.db2.gz RNQWBBSXULYFJF-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Cl)ccn1)C1CCCC1 ZINC001139562909 804211310 /nfs/dbraw/zinc/21/13/10/804211310.db2.gz RNQWBBSXULYFJF-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)cc2OC(C)C)cc[nH+]1 ZINC001212290487 815003007 /nfs/dbraw/zinc/00/30/07/815003007.db2.gz VTDNUDHUYNLKLY-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001139687379 804253907 /nfs/dbraw/zinc/25/39/07/804253907.db2.gz PHEAKUVHGGJDLR-MLGOLLRUSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001139687379 804253912 /nfs/dbraw/zinc/25/39/12/804253912.db2.gz PHEAKUVHGGJDLR-MLGOLLRUSA-N 1 2 290.794 3.213 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cnc2cccnc2c1 ZINC001139742041 804272338 /nfs/dbraw/zinc/27/23/38/804272338.db2.gz QCDQLUXRNYBENW-UHFFFAOYSA-N 1 2 268.364 3.146 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cnc2cccnc2c1 ZINC001139742041 804272347 /nfs/dbraw/zinc/27/23/47/804272347.db2.gz QCDQLUXRNYBENW-UHFFFAOYSA-N 1 2 268.364 3.146 20 30 CGEDLO COc1ncc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139749372 804273021 /nfs/dbraw/zinc/27/30/21/804273021.db2.gz XABOSULJRXENDM-OJNYZHBWSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1ncc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139749372 804273027 /nfs/dbraw/zinc/27/30/27/804273027.db2.gz XABOSULJRXENDM-OJNYZHBWSA-N 1 2 291.782 3.010 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001139873269 804305116 /nfs/dbraw/zinc/30/51/16/804305116.db2.gz HWEREYXVPJPMKR-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001139873269 804305127 /nfs/dbraw/zinc/30/51/27/804305127.db2.gz HWEREYXVPJPMKR-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1Cl ZINC001140813200 804527134 /nfs/dbraw/zinc/52/71/34/804527134.db2.gz YWDKDBDXESXQIB-LBPRGKRZSA-N 1 2 296.798 3.241 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)c(OC)c1 ZINC001144230436 804958643 /nfs/dbraw/zinc/95/86/43/804958643.db2.gz LUOHJHWPMKZKPH-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)c(OC)c1 ZINC001144230436 804958645 /nfs/dbraw/zinc/95/86/45/804958645.db2.gz LUOHJHWPMKZKPH-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO C#CCCCNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001155020059 805523699 /nfs/dbraw/zinc/52/36/99/805523699.db2.gz ITPNPMSIKSSWNM-UHFFFAOYSA-N 1 2 268.295 3.076 20 30 CGEDLO COc1cccc(F)c1CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167606524 807213004 /nfs/dbraw/zinc/21/30/04/807213004.db2.gz AFTKVLMLBIUFHN-UHFFFAOYSA-N 1 2 297.333 3.397 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167910554 807272395 /nfs/dbraw/zinc/27/23/95/807272395.db2.gz UGLZIJOTOQJFPJ-QDMKHBRRSA-N 1 2 267.413 3.278 20 30 CGEDLO C=C(C)C(=O)OCCNc1cc2ccc(C)cc2c[nH+]1 ZINC001168070196 807304455 /nfs/dbraw/zinc/30/44/55/807304455.db2.gz HHQKHLUARVPMFD-UHFFFAOYSA-N 1 2 270.332 3.074 20 30 CGEDLO CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258337579 807417808 /nfs/dbraw/zinc/41/78/08/807417808.db2.gz NMNCCFLXHDTMBX-CMPLNLGQSA-N 1 2 285.478 3.181 20 30 CGEDLO CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258337579 807417810 /nfs/dbraw/zinc/41/78/10/807417810.db2.gz NMNCCFLXHDTMBX-CMPLNLGQSA-N 1 2 285.478 3.181 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258418174 807444029 /nfs/dbraw/zinc/44/40/29/807444029.db2.gz FVTYRJBBYBAYOW-UHFFFAOYSA-N 1 2 289.398 3.466 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258521983 807484203 /nfs/dbraw/zinc/48/42/03/807484203.db2.gz OMBISKPPBGOIHY-UHFFFAOYSA-N 1 2 294.439 3.370 20 30 CGEDLO CC1(C)COC2(CCC([N@@H+]3CCCC[C@@H]3C#N)CC2)OC1 ZINC001258526567 807484544 /nfs/dbraw/zinc/48/45/44/807484544.db2.gz OMIYYJFWLXTAJO-OAHLLOKOSA-N 1 2 292.423 3.076 20 30 CGEDLO CC1(C)COC2(CCC([N@H+]3CCCC[C@@H]3C#N)CC2)OC1 ZINC001258526567 807484549 /nfs/dbraw/zinc/48/45/49/807484549.db2.gz OMIYYJFWLXTAJO-OAHLLOKOSA-N 1 2 292.423 3.076 20 30 CGEDLO CCCCC[C@H](CCC)[NH2+][C@@H](CS)C(=O)OCC ZINC001258661275 807528636 /nfs/dbraw/zinc/52/86/36/807528636.db2.gz DITBRTUYGLOVSR-STQMWFEESA-N 1 2 275.458 3.187 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)OC ZINC001258743893 807586899 /nfs/dbraw/zinc/58/68/99/807586899.db2.gz LQSVXJXXOARHPH-MLGOLLRUSA-N 1 2 295.810 3.368 20 30 CGEDLO C#Cc1cc(Nc2cccc3nc(C)ccc32)cc[nH+]1 ZINC001212795212 815140858 /nfs/dbraw/zinc/14/08/58/815140858.db2.gz VAMZAEBMCIMYSK-UHFFFAOYSA-N 1 2 259.312 3.085 20 30 CGEDLO C=C[C@@H](CO)Nc1cc(-c2ccc(C)cc2)cc[nH+]1 ZINC001169780192 807708099 /nfs/dbraw/zinc/70/80/99/807708099.db2.gz MRXUOPMLZJUWFN-HNNXBMFYSA-N 1 2 254.333 3.016 20 30 CGEDLO Cc1cc([C@H](C)[NH2+]Cc2ccncc2C#N)c(C)o1 ZINC001261456921 807747511 /nfs/dbraw/zinc/74/75/11/807747511.db2.gz QCZZYXVQTTZXKJ-NSHDSACASA-N 1 2 255.321 3.014 20 30 CGEDLO N#C[C@@H]1CC=C(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001212860040 815162968 /nfs/dbraw/zinc/16/29/68/815162968.db2.gz YGUNAPPXZWECCN-CYBMUJFWSA-N 1 2 268.364 3.301 20 30 CGEDLO C#CC[N@@H+](CCCCCCC)CC(=O)OC(C)(C)C ZINC001171793121 808141497 /nfs/dbraw/zinc/14/14/97/808141497.db2.gz ZIIVUFSYSPJFDV-UHFFFAOYSA-N 1 2 267.413 3.234 20 30 CGEDLO C#CC[N@H+](CCCCCCC)CC(=O)OC(C)(C)C ZINC001171793121 808141501 /nfs/dbraw/zinc/14/15/01/808141501.db2.gz ZIIVUFSYSPJFDV-UHFFFAOYSA-N 1 2 267.413 3.234 20 30 CGEDLO CC(C)OCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172442681 808318066 /nfs/dbraw/zinc/31/80/66/808318066.db2.gz JBENJTZEDBVIMA-OAHLLOKOSA-N 1 2 275.396 3.001 20 30 CGEDLO CC(C)OCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172442681 808318075 /nfs/dbraw/zinc/31/80/75/808318075.db2.gz JBENJTZEDBVIMA-OAHLLOKOSA-N 1 2 275.396 3.001 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc(CC)cc1 ZINC001267254732 808396686 /nfs/dbraw/zinc/39/66/86/808396686.db2.gz BSIZKLQWSUKCTP-UHFFFAOYSA-N 1 2 294.826 3.053 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc(CC)cc1 ZINC001267254732 808396693 /nfs/dbraw/zinc/39/66/93/808396693.db2.gz BSIZKLQWSUKCTP-UHFFFAOYSA-N 1 2 294.826 3.053 20 30 CGEDLO COc1cc(C#N)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213031513 815204306 /nfs/dbraw/zinc/20/43/06/815204306.db2.gz DEGBWKHDJHEBBM-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO N#Cc1cccc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213030579 815204416 /nfs/dbraw/zinc/20/44/16/815204416.db2.gz GDZLERWQHNYJOT-UHFFFAOYSA-N 1 2 259.272 3.050 20 30 CGEDLO N#CC1C[NH+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001172820670 808445018 /nfs/dbraw/zinc/44/50/18/808445018.db2.gz ALIPCAWLLXIKPL-UHFFFAOYSA-N 1 2 254.377 3.243 20 30 CGEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173042682 808498083 /nfs/dbraw/zinc/49/80/83/808498083.db2.gz HWRXUKGUOJAGGL-HNNXBMFYSA-N 1 2 264.413 3.254 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001268753224 808624280 /nfs/dbraw/zinc/62/42/80/808624280.db2.gz TWHXSUGCOIDWRU-UBHSHLNASA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001268753224 808624283 /nfs/dbraw/zinc/62/42/83/808624283.db2.gz TWHXSUGCOIDWRU-UBHSHLNASA-N 1 2 286.847 3.002 20 30 CGEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@](C)(C#N)C(C)C)CC2 ZINC001173605049 808652105 /nfs/dbraw/zinc/65/21/05/808652105.db2.gz VWWMLNIBSXGLJG-BYLPVYNFSA-N 1 2 292.423 3.026 20 30 CGEDLO CCOC(=O)[C@H]1CC12CCC([NH2+][C@@](C)(C#N)C(C)C)CC2 ZINC001173605050 808652802 /nfs/dbraw/zinc/65/28/02/808652802.db2.gz VWWMLNIBSXGLJG-HTUOJYHCSA-N 1 2 292.423 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CCC)C1 ZINC001269221802 808658351 /nfs/dbraw/zinc/65/83/51/808658351.db2.gz PDYQMUNOKBOVSC-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CCC)C1 ZINC001269221802 808658355 /nfs/dbraw/zinc/65/83/55/808658355.db2.gz PDYQMUNOKBOVSC-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO N#Cc1cncc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213085724 815228977 /nfs/dbraw/zinc/22/89/77/815228977.db2.gz UHGNPMCCFINEFJ-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO N#Cc1cc(Nc2cc[nH+]c3ccccc23)c(O)cc1F ZINC001174038917 808836867 /nfs/dbraw/zinc/83/68/67/808836867.db2.gz GHWJDZYOZYNRAY-UHFFFAOYSA-N 1 2 279.274 3.117 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1C ZINC001275986054 808982079 /nfs/dbraw/zinc/98/20/79/808982079.db2.gz HNESLUAEKBAFGJ-ZDUSSCGKSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1C ZINC001275986054 808982081 /nfs/dbraw/zinc/98/20/81/808982081.db2.gz HNESLUAEKBAFGJ-ZDUSSCGKSA-N 1 2 294.826 3.106 20 30 CGEDLO C#Cc1cc(Nc2ccc(Oc3cccnc3)cc2)cc[nH+]1 ZINC001174847229 809177888 /nfs/dbraw/zinc/17/78/88/809177888.db2.gz FKKLFAZFZMCQNO-UHFFFAOYSA-N 1 2 287.322 3.416 20 30 CGEDLO C=C(Cl)C[N@@H+](C)Cc1ccccc1CNC(=O)C(C)C ZINC001280316070 809184797 /nfs/dbraw/zinc/18/47/97/809184797.db2.gz VVCCDSWPYOILJI-UHFFFAOYSA-N 1 2 294.826 3.143 20 30 CGEDLO C=C(Cl)C[N@H+](C)Cc1ccccc1CNC(=O)C(C)C ZINC001280316070 809184798 /nfs/dbraw/zinc/18/47/98/809184798.db2.gz VVCCDSWPYOILJI-UHFFFAOYSA-N 1 2 294.826 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001282412296 809246051 /nfs/dbraw/zinc/24/60/51/809246051.db2.gz MNWDESAGLKLAEW-STQMWFEESA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001282412296 809246055 /nfs/dbraw/zinc/24/60/55/809246055.db2.gz MNWDESAGLKLAEW-STQMWFEESA-N 1 2 288.863 3.248 20 30 CGEDLO COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1C#N ZINC001175351507 809374348 /nfs/dbraw/zinc/37/43/48/809374348.db2.gz OKMAQFIGGFTODZ-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO C#Cc1cc(Nc2cccc(C(=O)OC(C)(C)C)c2)cc[nH+]1 ZINC001175545947 809446190 /nfs/dbraw/zinc/44/61/90/809446190.db2.gz UUDHXODXUCQBJO-UHFFFAOYSA-N 1 2 294.354 3.184 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cc(F)cnc1C#N ZINC001213496852 815290597 /nfs/dbraw/zinc/29/05/97/815290597.db2.gz AJGQOFGWCIEHTR-UHFFFAOYSA-N 1 2 268.295 3.417 20 30 CGEDLO Cc1cn2cccc(Nc3cc(F)cc(C#N)c3)c2[nH+]1 ZINC001175683766 809503455 /nfs/dbraw/zinc/50/34/55/809503455.db2.gz JWIPKZDALMBDPE-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO N#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cs1 ZINC001175713053 809517381 /nfs/dbraw/zinc/51/73/81/809517381.db2.gz ZEAFOHUDZVVSBM-UHFFFAOYSA-N 1 2 284.266 3.359 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc2nc(C#N)sc2c1 ZINC001176122584 809628909 /nfs/dbraw/zinc/62/89/09/809628909.db2.gz CBWBTLUSRXZOML-UHFFFAOYSA-N 1 2 282.328 3.315 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(F)c(C)cc1C#N ZINC001176124633 809630304 /nfs/dbraw/zinc/63/03/04/809630304.db2.gz PUPSQLPONRXSBK-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(C#N)c(C)cc1C ZINC001176124066 809630457 /nfs/dbraw/zinc/63/04/57/809630457.db2.gz HODDIRAYEXFMEF-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C=CCn1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cn1 ZINC001176544621 809713519 /nfs/dbraw/zinc/71/35/19/809713519.db2.gz ZZGVKTVGJXUYPU-UHFFFAOYSA-N 1 2 273.727 3.114 20 30 CGEDLO N#Cc1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC001176750231 809757832 /nfs/dbraw/zinc/75/78/32/809757832.db2.gz UOFNQCZBKPHMKA-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC001183652824 810155823 /nfs/dbraw/zinc/15/58/23/810155823.db2.gz VSBSFTAKRPDPIJ-UMSPYCQHSA-N 1 2 281.758 3.466 20 30 CGEDLO C#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001188720047 810507541 /nfs/dbraw/zinc/50/75/41/810507541.db2.gz RVMJPQWJLKBSKT-UHFFFAOYSA-N 1 2 287.322 3.106 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CSC1 ZINC001195979242 811308209 /nfs/dbraw/zinc/30/82/09/811308209.db2.gz TVFXFODTHMDUHZ-UHFFFAOYSA-N 1 2 297.370 3.147 20 30 CGEDLO C#CC[N@H+](Cc1cc(C)ccc1OC(F)F)C1CSC1 ZINC001195979242 811308216 /nfs/dbraw/zinc/30/82/16/811308216.db2.gz TVFXFODTHMDUHZ-UHFFFAOYSA-N 1 2 297.370 3.147 20 30 CGEDLO Cc1c(C)n(-c2ccc([NH2+]C(C)C)cc2)c(N)c1C#N ZINC001201487373 811860049 /nfs/dbraw/zinc/86/00/49/811860049.db2.gz GUCPCAHNAAQANH-UHFFFAOYSA-N 1 2 268.364 3.368 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(F)cc2C#N)c[nH+]1 ZINC001203460278 812367617 /nfs/dbraw/zinc/36/76/17/812367617.db2.gz SUJTYAOFMYKSIZ-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)cc1OC ZINC001203478856 812370975 /nfs/dbraw/zinc/37/09/75/812370975.db2.gz LHULYNBYTZLQAL-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)cc1OC ZINC001203478856 812370987 /nfs/dbraw/zinc/37/09/87/812370987.db2.gz LHULYNBYTZLQAL-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO COc1ccc(CNc2[nH]c3cc(C)ccc3[nH+]2)cc1C#N ZINC001203479695 812371493 /nfs/dbraw/zinc/37/14/93/812371493.db2.gz WNKUFQCZJKXBTL-UHFFFAOYSA-N 1 2 292.342 3.364 20 30 CGEDLO N#Cc1c(F)cc(Nc2cccn3cc[nH+]c23)cc1F ZINC001203668822 812424389 /nfs/dbraw/zinc/42/43/89/812424389.db2.gz PLBPSGSQVLBPJJ-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO O=C1C=C2C[N@H+](CC3CCC(F)(F)CC3)CC[C@H]2S1 ZINC001207345063 813544412 /nfs/dbraw/zinc/54/44/12/813544412.db2.gz ABLAZVUDVZCKHJ-GFCCVEGCSA-N 1 2 287.375 3.086 20 30 CGEDLO O=C1C=C2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@H]2S1 ZINC001207345063 813544417 /nfs/dbraw/zinc/54/44/17/813544417.db2.gz ABLAZVUDVZCKHJ-GFCCVEGCSA-N 1 2 287.375 3.086 20 30 CGEDLO C=CCCCCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209431342 814032496 /nfs/dbraw/zinc/03/24/96/814032496.db2.gz LMSGQXTZYXRGEV-CYBMUJFWSA-N 1 2 261.356 3.215 20 30 CGEDLO C=CCCCCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209431342 814032503 /nfs/dbraw/zinc/03/25/03/814032503.db2.gz LMSGQXTZYXRGEV-CYBMUJFWSA-N 1 2 261.356 3.215 20 30 CGEDLO Cc1[nH+]cc(Nc2cc(Cl)cc(C#N)c2)cc1N ZINC001210291235 814387742 /nfs/dbraw/zinc/38/77/42/814387742.db2.gz VTLZABWWWWXDLA-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO Cc1[nH+]cc(Nc2cc(C#N)ccc2Cl)cc1N ZINC001210291281 814387840 /nfs/dbraw/zinc/38/78/40/814387840.db2.gz YIJRQTSGVHWDOF-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(C#N)c3ncccc23)cc1N ZINC001210293671 814389457 /nfs/dbraw/zinc/38/94/57/814389457.db2.gz OLYULLJJADERFO-UHFFFAOYSA-N 1 2 275.315 3.136 20 30 CGEDLO COc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc(C)n1 ZINC001242749230 823122899 /nfs/dbraw/zinc/12/28/99/823122899.db2.gz UWGJZDSDCOKDDB-YBFXNURJSA-N 1 2 294.358 3.159 20 30 CGEDLO COc1cc(Nc2ccc(F)c(C#N)c2F)cc(C)[nH+]1 ZINC001210780943 814627001 /nfs/dbraw/zinc/62/70/01/814627001.db2.gz KVILPOYSPJLSSM-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO Cc1cc(C#N)cc(C)c1-c1ccn2cc(N)[nH+]c2c1 ZINC001222655472 816491088 /nfs/dbraw/zinc/49/10/88/816491088.db2.gz SAOSJFNNQONKGH-UHFFFAOYSA-N 1 2 262.316 3.072 20 30 CGEDLO C#Cc1cccc(C[NH+]2CC(OCc3ccccc3)C2)c1 ZINC001231659160 818150791 /nfs/dbraw/zinc/15/07/91/818150791.db2.gz HZEJDNSNVRJTLW-UHFFFAOYSA-N 1 2 277.367 3.069 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)C2CCCC2)cnc1F ZINC001231926661 818213521 /nfs/dbraw/zinc/21/35/21/818213521.db2.gz DXKAPUZQEBEUGX-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)cnc1F ZINC001231926661 818213525 /nfs/dbraw/zinc/21/35/25/818213525.db2.gz DXKAPUZQEBEUGX-UHFFFAOYSA-N 1 2 261.344 3.187 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc2ccncc2[nH]1 ZINC001232091934 818253191 /nfs/dbraw/zinc/25/31/91/818253191.db2.gz DLRLWIMNHGTLPQ-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc2ccncc2[nH]1 ZINC001232091934 818253197 /nfs/dbraw/zinc/25/31/97/818253197.db2.gz DLRLWIMNHGTLPQ-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232607296 818394168 /nfs/dbraw/zinc/39/41/68/818394168.db2.gz JRCPCQGNFLOXKB-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232607296 818394174 /nfs/dbraw/zinc/39/41/74/818394174.db2.gz JRCPCQGNFLOXKB-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)Cc2ccccc21 ZINC001232673120 818415824 /nfs/dbraw/zinc/41/58/24/818415824.db2.gz AJXCBHBQGRHVPL-ZDUSSCGKSA-N 1 2 278.355 3.383 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)Cc2ccccc21 ZINC001232673120 818415827 /nfs/dbraw/zinc/41/58/27/818415827.db2.gz AJXCBHBQGRHVPL-ZDUSSCGKSA-N 1 2 278.355 3.383 20 30 CGEDLO C[N@H+](CCc1ccc(F)cc1)Cc1cc(C#N)ccc1O ZINC001232679121 818416815 /nfs/dbraw/zinc/41/68/15/818416815.db2.gz CWOHWMOQAKRCBW-UHFFFAOYSA-N 1 2 284.334 3.077 20 30 CGEDLO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(C#N)ccc1O ZINC001232679121 818416822 /nfs/dbraw/zinc/41/68/22/818416822.db2.gz CWOHWMOQAKRCBW-UHFFFAOYSA-N 1 2 284.334 3.077 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001232678909 818418201 /nfs/dbraw/zinc/41/82/01/818418201.db2.gz UPDISIUVWJNMHA-HNNXBMFYSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001232678909 818418204 /nfs/dbraw/zinc/41/82/04/818418204.db2.gz UPDISIUVWJNMHA-HNNXBMFYSA-N 1 2 296.345 3.392 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3ncsc32)C1 ZINC001232734962 818426875 /nfs/dbraw/zinc/42/68/75/818426875.db2.gz BUGAKNZYIZQMCU-LLVKDONJSA-N 1 2 257.362 3.032 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232734962 818426882 /nfs/dbraw/zinc/42/68/82/818426882.db2.gz BUGAKNZYIZQMCU-LLVKDONJSA-N 1 2 257.362 3.032 20 30 CGEDLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1cccc(C#N)n1 ZINC001232925518 818475879 /nfs/dbraw/zinc/47/58/79/818475879.db2.gz HBUUMJXTCQLBMU-UHFFFAOYSA-N 1 2 293.370 3.047 20 30 CGEDLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1cccc(C#N)n1 ZINC001232925518 818475884 /nfs/dbraw/zinc/47/58/84/818475884.db2.gz HBUUMJXTCQLBMU-UHFFFAOYSA-N 1 2 293.370 3.047 20 30 CGEDLO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233045929 818507256 /nfs/dbraw/zinc/50/72/56/818507256.db2.gz ZCGMMIVHWSTOIE-QGZVFWFLSA-N 1 2 295.386 3.238 20 30 CGEDLO Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233045929 818507260 /nfs/dbraw/zinc/50/72/60/818507260.db2.gz ZCGMMIVHWSTOIE-QGZVFWFLSA-N 1 2 295.386 3.238 20 30 CGEDLO C[N@H+](C/C=C/c1ccccc1)Cc1[nH]ccc1C#N ZINC001233047621 818510502 /nfs/dbraw/zinc/51/05/02/818510502.db2.gz FLHPOWSTSSFSRD-VMPITWQZSA-N 1 2 251.333 3.032 20 30 CGEDLO C[N@@H+](C/C=C/c1ccccc1)Cc1[nH]ccc1C#N ZINC001233047621 818510509 /nfs/dbraw/zinc/51/05/09/818510509.db2.gz FLHPOWSTSSFSRD-VMPITWQZSA-N 1 2 251.333 3.032 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cnc2OC(C)C)C1 ZINC001233166090 818534115 /nfs/dbraw/zinc/53/41/15/818534115.db2.gz CZWIBMMNLHNXLA-CYBMUJFWSA-N 1 2 292.810 3.367 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cnc2OC(C)C)C1 ZINC001233166090 818534120 /nfs/dbraw/zinc/53/41/20/818534120.db2.gz CZWIBMMNLHNXLA-CYBMUJFWSA-N 1 2 292.810 3.367 20 30 CGEDLO C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1O ZINC001233383541 818604762 /nfs/dbraw/zinc/60/47/62/818604762.db2.gz LTLKIPNUSCNVMQ-UHFFFAOYSA-N 1 2 293.779 3.006 20 30 CGEDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1O ZINC001233383541 818604763 /nfs/dbraw/zinc/60/47/63/818604763.db2.gz LTLKIPNUSCNVMQ-UHFFFAOYSA-N 1 2 293.779 3.006 20 30 CGEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cnc1F ZINC001243399271 823392758 /nfs/dbraw/zinc/39/27/58/823392758.db2.gz ZMDLATIEHGBTPN-KEBDBYFISA-N 1 2 282.322 3.289 20 30 CGEDLO N#C[C@@H]1CCCN1Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236902788 819635296 /nfs/dbraw/zinc/63/52/96/819635296.db2.gz IWUZOHQGWPOYLN-ZDUSSCGKSA-N 1 2 286.766 3.014 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001237103875 819667056 /nfs/dbraw/zinc/66/70/56/819667056.db2.gz NNWSKHUBMOQLNE-AWEZNQCLSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001237103875 819667062 /nfs/dbraw/zinc/66/70/62/819667062.db2.gz NNWSKHUBMOQLNE-AWEZNQCLSA-N 1 2 258.365 3.209 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(O)c(C)cc1Br ZINC001237300547 819720436 /nfs/dbraw/zinc/72/04/36/819720436.db2.gz CUVFLERLBXBXTO-UHFFFAOYSA-N 1 2 270.170 3.081 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(O)c(C)cc1Br ZINC001237300547 819720440 /nfs/dbraw/zinc/72/04/40/819720440.db2.gz CUVFLERLBXBXTO-UHFFFAOYSA-N 1 2 270.170 3.081 20 30 CGEDLO N#CCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC001237946294 819894086 /nfs/dbraw/zinc/89/40/86/819894086.db2.gz PDOLMMZUWODDCV-UHFFFAOYSA-N 1 2 289.326 3.288 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@H](C#N)C2)c(-c2ccccc2)cn1 ZINC001238601550 820055196 /nfs/dbraw/zinc/05/51/96/820055196.db2.gz GMBKTYUNIISTDA-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@H](C#N)C2)c(-c2ccccc2)cn1 ZINC001238601550 820055208 /nfs/dbraw/zinc/05/52/08/820055208.db2.gz GMBKTYUNIISTDA-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751587 820107439 /nfs/dbraw/zinc/10/74/39/820107439.db2.gz GYJSWUNTSXIMNX-HNNXBMFYSA-N 1 2 272.392 3.436 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751587 820107441 /nfs/dbraw/zinc/10/74/41/820107441.db2.gz GYJSWUNTSXIMNX-HNNXBMFYSA-N 1 2 272.392 3.436 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccccc1OCC#N ZINC001241242705 821663449 /nfs/dbraw/zinc/66/34/49/821663449.db2.gz KENFKJUTAKJXNM-UHFFFAOYSA-N 1 2 267.332 3.025 20 30 CGEDLO Cc1cc(C2=CC(=O)CC(C)(C)C2)c2[nH+]ccn2c1 ZINC001242316844 822949991 /nfs/dbraw/zinc/94/99/91/822949991.db2.gz SWKBVRXBVWPUQQ-UHFFFAOYSA-N 1 2 254.333 3.415 20 30 CGEDLO COc1ncc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1C ZINC001242431967 822991951 /nfs/dbraw/zinc/99/19/51/822991951.db2.gz JPLVSDWAXTXQLO-RGVLZGJSSA-N 1 2 294.358 3.159 20 30 CGEDLO CCc1ncccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001242525251 823019613 /nfs/dbraw/zinc/01/96/13/823019613.db2.gz UIBOIEUZDPIOEP-UDWIEESQSA-N 1 2 278.359 3.404 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(O)c(C#N)c2)cc1C#N ZINC001242565421 823035111 /nfs/dbraw/zinc/03/51/11/823035111.db2.gz BYOWPYJKOWPZDN-RGVLZGJSSA-N 1 2 290.326 3.024 20 30 CGEDLO C=CCCC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)c1ccccc1 ZINC001340970333 936421828 /nfs/dbraw/zinc/42/18/28/936421828.db2.gz ZLVHMWBXTIVEDV-KBPBESRZSA-N 1 2 296.361 3.183 20 30 CGEDLO C=C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC001348782809 936933947 /nfs/dbraw/zinc/93/39/47/936933947.db2.gz CETGRYHBCKZHBM-SJORKVTESA-N 1 2 295.386 3.016 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001483370363 927490003 /nfs/dbraw/zinc/49/00/03/927490003.db2.gz UGDXIIDUFLPYBR-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001483370363 927490006 /nfs/dbraw/zinc/49/00/06/927490006.db2.gz UGDXIIDUFLPYBR-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(CC)CC)C(=O)OCC ZINC001462249436 928783703 /nfs/dbraw/zinc/78/37/03/928783703.db2.gz QSDDDBXBOYLUIU-ZNMIVQPWSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OC ZINC001462502460 928792905 /nfs/dbraw/zinc/79/29/05/928792905.db2.gz IDQBQQTXQASBJG-GDBMZVCRSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)C1 ZINC001443311020 937346848 /nfs/dbraw/zinc/34/68/48/937346848.db2.gz MKVRPAZOVDZSOJ-UHFFFAOYSA-N 1 2 281.359 3.476 20 30 CGEDLO C=CC[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001458200612 937454581 /nfs/dbraw/zinc/45/45/81/937454581.db2.gz SYWGUAIKDRDOSL-NSHDSACASA-N 1 2 252.321 3.259 20 30 CGEDLO CCc1cc(N(C)Cc2cc(C#N)cs2)nc(CC)[nH+]1 ZINC001458653038 937470869 /nfs/dbraw/zinc/47/08/69/937470869.db2.gz FYYRULBYBLPIDJ-UHFFFAOYSA-N 1 2 286.404 3.171 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](CC)C(=O)OCC ZINC001307423274 932950131 /nfs/dbraw/zinc/95/01/31/932950131.db2.gz GZEXIBAPWOXUAN-INIZCTEOSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](CC)C(=O)OCC ZINC001307423274 932950135 /nfs/dbraw/zinc/95/01/35/932950135.db2.gz GZEXIBAPWOXUAN-INIZCTEOSA-N 1 2 291.391 3.025 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCCC[C@]12CCOC2 ZINC001308166192 933062922 /nfs/dbraw/zinc/06/29/22/933062922.db2.gz IDIVHWYYLVEHEC-QGZVFWFLSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCCC[C@]12CCOC2 ZINC001308166192 933062929 /nfs/dbraw/zinc/06/29/29/933062929.db2.gz IDIVHWYYLVEHEC-QGZVFWFLSA-N 1 2 289.806 3.337 20 30 CGEDLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC001308802082 933179576 /nfs/dbraw/zinc/17/95/76/933179576.db2.gz OZJKLBWEBZJZQB-GTNSWQLSSA-N 1 2 282.318 3.309 20 30 CGEDLO CC(=O)Nc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC001308837612 933186436 /nfs/dbraw/zinc/18/64/36/933186436.db2.gz GXAXVSKTZOLNGY-UHFFFAOYSA-N 1 2 291.354 3.032 20 30 CGEDLO CC(=O)Nc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC001308837612 933186440 /nfs/dbraw/zinc/18/64/40/933186440.db2.gz GXAXVSKTZOLNGY-UHFFFAOYSA-N 1 2 291.354 3.032 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C(=O)OC ZINC001308902556 933199441 /nfs/dbraw/zinc/19/94/41/933199441.db2.gz RCGARSSKUPOJMN-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C)C(=O)OC ZINC001308902550 933199586 /nfs/dbraw/zinc/19/95/86/933199586.db2.gz RABWBJFHYAZGIA-RRFJBIMHSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001308916673 933203879 /nfs/dbraw/zinc/20/38/79/933203879.db2.gz CMXDOIDUUFDNTA-XJKSGUPXSA-N 1 2 293.382 3.417 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001317556524 933619869 /nfs/dbraw/zinc/61/98/69/933619869.db2.gz HDEFHEFBSBDACX-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001317556524 933619873 /nfs/dbraw/zinc/61/98/73/933619873.db2.gz HDEFHEFBSBDACX-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317755027 933644027 /nfs/dbraw/zinc/64/40/27/933644027.db2.gz WPPNYLFMRULZIT-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317755027 933644033 /nfs/dbraw/zinc/64/40/33/933644033.db2.gz WPPNYLFMRULZIT-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=CCC1(C(=O)NC2C[NH+](Cc3ccccc3C)C2)CCC1 ZINC001318061488 933680353 /nfs/dbraw/zinc/68/03/53/933680353.db2.gz VQVIZRLEDMGXOR-UHFFFAOYSA-N 1 2 298.430 3.042 20 30 CGEDLO Cc1ccnc(N[NH+]=Cc2ccc(N3CCCC3)cc2)c1 ZINC001319127755 933830126 /nfs/dbraw/zinc/83/01/26/933830126.db2.gz SJZZPBQNZIDOKU-UHFFFAOYSA-N 1 2 280.375 3.436 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](CC)Cc1ccc(C)cc1)C(=O)OCC ZINC001320786043 934103725 /nfs/dbraw/zinc/10/37/25/934103725.db2.gz FGQZRTARFLTALL-SJORKVTESA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001321028677 934139260 /nfs/dbraw/zinc/13/92/60/934139260.db2.gz HUPBVXDLWDXPMJ-HNNXBMFYSA-N 1 2 283.375 3.049 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCC(C)C ZINC001322250757 934264792 /nfs/dbraw/zinc/26/47/92/934264792.db2.gz XCVRABYTHXRCMV-CYBMUJFWSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCC(C)C ZINC001322250757 934264801 /nfs/dbraw/zinc/26/48/01/934264801.db2.gz XCVRABYTHXRCMV-CYBMUJFWSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)CC(C)C ZINC001322274640 934269588 /nfs/dbraw/zinc/26/95/88/934269588.db2.gz PBMNXOQPUKUMRE-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)CC(C)C ZINC001322274640 934269594 /nfs/dbraw/zinc/26/95/94/934269594.db2.gz PBMNXOQPUKUMRE-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001335697884 936157140 /nfs/dbraw/zinc/15/71/40/936157140.db2.gz RZAUNMXSYZEHBQ-LBPRGKRZSA-N 1 2 267.804 3.465 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001335697884 936157142 /nfs/dbraw/zinc/15/71/42/936157142.db2.gz RZAUNMXSYZEHBQ-LBPRGKRZSA-N 1 2 267.804 3.465 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)s1 ZINC001335785344 936160851 /nfs/dbraw/zinc/16/08/51/936160851.db2.gz OYGDHAAYPXLGKY-QMMMGPOBSA-N 1 2 292.795 3.222 20 30 CGEDLO N#Cc1cc(Cl)ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001336410359 936192624 /nfs/dbraw/zinc/19/26/24/936192624.db2.gz HBXOZJSPFJCLRK-UHFFFAOYSA-N 1 2 286.766 3.319 20 30 CGEDLO C=C(C)CCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001337688440 936280388 /nfs/dbraw/zinc/28/03/88/936280388.db2.gz OHTZZQOGDBJQIS-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001474390244 937856862 /nfs/dbraw/zinc/85/68/62/937856862.db2.gz UCRTTXARXFYYOP-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001474390244 937856864 /nfs/dbraw/zinc/85/68/64/937856864.db2.gz UCRTTXARXFYYOP-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cccn1C(F)F ZINC001474402726 937857666 /nfs/dbraw/zinc/85/76/66/937857666.db2.gz JNZJMQAYCMQFQZ-UHFFFAOYSA-N 1 2 255.312 3.255 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cccn1C(F)F ZINC001474402726 937857667 /nfs/dbraw/zinc/85/76/67/937857667.db2.gz JNZJMQAYCMQFQZ-UHFFFAOYSA-N 1 2 255.312 3.255 20 30 CGEDLO Cc1cc(CNC(=O)Nc2ccc(CC#N)cc2)cc(C)[nH+]1 ZINC001475838194 937885692 /nfs/dbraw/zinc/88/56/92/937885692.db2.gz GDASGUWTWWXWHM-UHFFFAOYSA-N 1 2 294.358 3.086 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001506036678 937989023 /nfs/dbraw/zinc/98/90/23/937989023.db2.gz PUSOZEJVLUAUGQ-JSGCOSHPSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001506036678 937989024 /nfs/dbraw/zinc/98/90/24/937989024.db2.gz PUSOZEJVLUAUGQ-JSGCOSHPSA-N 1 2 288.863 3.248 20 30 CGEDLO C=CCN(CCc1ccco1)c1cc(CC)[nH+]c(CC)n1 ZINC001559152574 938221227 /nfs/dbraw/zinc/22/12/27/938221227.db2.gz SANKUSZLEFFFMY-UHFFFAOYSA-N 1 2 285.391 3.430 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC[C@H](C)C1 ZINC001559976482 938240438 /nfs/dbraw/zinc/24/04/38/938240438.db2.gz VIZCQJBPMSGHIW-GJZGRUSLSA-N 1 2 279.424 3.090 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC[C@H](C)C1 ZINC001559976482 938240439 /nfs/dbraw/zinc/24/04/39/938240439.db2.gz VIZCQJBPMSGHIW-GJZGRUSLSA-N 1 2 279.424 3.090 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001560208755 938247285 /nfs/dbraw/zinc/24/72/85/938247285.db2.gz GIEHXOGLOVEAEI-ZDUSSCGKSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001560208755 938247286 /nfs/dbraw/zinc/24/72/86/938247286.db2.gz GIEHXOGLOVEAEI-ZDUSSCGKSA-N 1 2 290.794 3.075 20 30 CGEDLO CCCn1c[nH+]cc1CNc1ccccc1O[C@H](C)C#N ZINC001560412292 938257253 /nfs/dbraw/zinc/25/72/53/938257253.db2.gz PGRXJRCFSYWENU-CYBMUJFWSA-N 1 2 284.363 3.196 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC001560837166 938278752 /nfs/dbraw/zinc/27/87/52/938278752.db2.gz KZYAQIWQSMJCKY-MELADBBJSA-N 1 2 299.480 3.394 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncc(OC)c1)c1ccc(Cl)cc1 ZINC001560864723 938280824 /nfs/dbraw/zinc/28/08/24/938280824.db2.gz INCQUPBCROYCJH-MRXNPFEDSA-N 1 2 286.762 3.208 20 30 CGEDLO CCOC(=[NH2+])c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244091385 960418495 /nfs/dbraw/zinc/41/84/95/960418495.db2.gz SSQDWXNKLPPQDM-UHFFFAOYSA-N 1 2 265.316 3.169 20 30 CGEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(CC)CCCCC ZINC001565836053 960591779 /nfs/dbraw/zinc/59/17/79/960591779.db2.gz ZXKLGWAIRSEXMF-WMZOPIPTSA-N 1 2 292.467 3.149 20 30 CGEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(CC)CCCCC ZINC001565836053 960591794 /nfs/dbraw/zinc/59/17/94/960591794.db2.gz ZXKLGWAIRSEXMF-WMZOPIPTSA-N 1 2 292.467 3.149 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)[C@@H]2C)CCC1 ZINC001566102487 960884934 /nfs/dbraw/zinc/88/49/34/960884934.db2.gz UYMCFTHMFITZMQ-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)[C@@H]2C)CCC1 ZINC001566102487 960884951 /nfs/dbraw/zinc/88/49/51/960884951.db2.gz UYMCFTHMFITZMQ-KGLIPLIRSA-N 1 2 296.842 3.064 20 30 CGEDLO Cc1cc(CNC(=O)c2ccc(C#N)c(Cl)c2)cc(C)[nH+]1 ZINC001584184089 962896481 /nfs/dbraw/zinc/89/64/81/962896481.db2.gz NYYRWDVQARKFNB-UHFFFAOYSA-N 1 2 299.761 3.154 20 30 CGEDLO CCn1ccnc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367297269 529567731 /nfs/dbraw/zinc/56/77/31/529567731.db2.gz ZMKZGHFRCZLOJV-UHFFFAOYSA-N 1 2 292.386 3.064 20 30 CGEDLO CCn1ccnc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367297269 529567733 /nfs/dbraw/zinc/56/77/33/529567733.db2.gz ZMKZGHFRCZLOJV-UHFFFAOYSA-N 1 2 292.386 3.064 20 30 CGEDLO CCc1ccc([C@@H](CO)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000359626721 529709433 /nfs/dbraw/zinc/70/94/33/529709433.db2.gz RHSRDGFIUHIBOA-GOSISDBHSA-N 1 2 298.361 3.083 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccncc1C#N ZINC000592058143 346958070 /nfs/dbraw/zinc/95/80/70/346958070.db2.gz AZBATYAPUOXAQR-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592058143 346958072 /nfs/dbraw/zinc/95/80/72/346958072.db2.gz AZBATYAPUOXAQR-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C=CCOc1cccc(C[NH2+]CC(F)(F)CC)c1 ZINC000623680235 349865659 /nfs/dbraw/zinc/86/56/59/349865659.db2.gz BVDKSJINGDYFDO-UHFFFAOYSA-N 1 2 255.308 3.386 20 30 CGEDLO C=CC[C@@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000273185681 192069134 /nfs/dbraw/zinc/06/91/34/192069134.db2.gz BSKNLCQYWSIIBX-LBPRGKRZSA-N 1 2 263.385 3.072 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)c(F)c1 ZINC000058003131 345192679 /nfs/dbraw/zinc/19/26/79/345192679.db2.gz ORKUFDRGGSZZHM-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3ccccc3C2)c(F)c1 ZINC000058003131 345192682 /nfs/dbraw/zinc/19/26/82/345192682.db2.gz ORKUFDRGGSZZHM-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#CCC[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000078663052 345617758 /nfs/dbraw/zinc/61/77/58/345617758.db2.gz VYXPQLGLBWXUNN-UHFFFAOYSA-N 1 2 265.360 3.040 20 30 CGEDLO N#CCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000078663052 345617763 /nfs/dbraw/zinc/61/77/63/345617763.db2.gz VYXPQLGLBWXUNN-UHFFFAOYSA-N 1 2 265.360 3.040 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000081039513 345696771 /nfs/dbraw/zinc/69/67/71/345696771.db2.gz FEIQKEGMTMZNLJ-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000081039513 345696772 /nfs/dbraw/zinc/69/67/72/345696772.db2.gz FEIQKEGMTMZNLJ-UHFFFAOYSA-N 1 2 286.297 3.363 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000084072113 345728714 /nfs/dbraw/zinc/72/87/14/345728714.db2.gz AMMNBORZENQRMM-LBPRGKRZSA-N 1 2 291.420 3.052 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000084072113 345728717 /nfs/dbraw/zinc/72/87/17/345728717.db2.gz AMMNBORZENQRMM-LBPRGKRZSA-N 1 2 291.420 3.052 20 30 CGEDLO N#CC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000142082892 346110249 /nfs/dbraw/zinc/11/02/49/346110249.db2.gz SATFCOSGZRINTM-UHFFFAOYSA-N 1 2 293.370 3.014 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1[nH]ncc1Br)C1CC1 ZINC000309339528 346468382 /nfs/dbraw/zinc/46/83/82/346468382.db2.gz KUMNUYFXTAVAMC-LLVKDONJSA-N 1 2 284.201 3.007 20 30 CGEDLO CC[C@](C)(C#N)c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000350069527 346517813 /nfs/dbraw/zinc/51/78/13/346517813.db2.gz PGPQYKDUMBHDPB-MRXNPFEDSA-N 1 2 293.330 3.114 20 30 CGEDLO N#Cc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000588934266 346776787 /nfs/dbraw/zinc/77/67/87/346776787.db2.gz MXGXQMAWUGOFNI-UHFFFAOYSA-N 1 2 250.292 3.226 20 30 CGEDLO CC(C)(CCC#N)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593698945 347105993 /nfs/dbraw/zinc/10/59/93/347105993.db2.gz YDESGNXAWXKFGO-UHFFFAOYSA-N 1 2 253.349 3.204 20 30 CGEDLO CC(C)(CCC#N)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593698945 347105997 /nfs/dbraw/zinc/10/59/97/347105997.db2.gz YDESGNXAWXKFGO-UHFFFAOYSA-N 1 2 253.349 3.204 20 30 CGEDLO COc1ccc(C(C)C)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000593952151 347122669 /nfs/dbraw/zinc/12/26/69/347122669.db2.gz ONKYBROVQMRDEU-ZDUSSCGKSA-N 1 2 260.381 3.410 20 30 CGEDLO COc1ccc(C(C)C)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000593952151 347122671 /nfs/dbraw/zinc/12/26/71/347122671.db2.gz ONKYBROVQMRDEU-ZDUSSCGKSA-N 1 2 260.381 3.410 20 30 CGEDLO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1F ZINC000594017344 347137864 /nfs/dbraw/zinc/13/78/64/347137864.db2.gz DVFLEUIPLAUWSQ-CYBMUJFWSA-N 1 2 275.352 3.395 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026955 347139639 /nfs/dbraw/zinc/13/96/39/347139639.db2.gz QQKMQYDJGYEPPN-KRWDZBQOSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026955 347139640 /nfs/dbraw/zinc/13/96/40/347139640.db2.gz QQKMQYDJGYEPPN-KRWDZBQOSA-N 1 2 288.366 3.231 20 30 CGEDLO CN(C)c1ccccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028277 347139669 /nfs/dbraw/zinc/13/96/69/347139669.db2.gz LEVKPAIDSYKLMM-UHFFFAOYSA-N 1 2 277.371 3.140 20 30 CGEDLO CN(C)c1ccccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028277 347139670 /nfs/dbraw/zinc/13/96/70/347139670.db2.gz LEVKPAIDSYKLMM-UHFFFAOYSA-N 1 2 277.371 3.140 20 30 CGEDLO CCOC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)C1CCCCCC1 ZINC000594046389 347144467 /nfs/dbraw/zinc/14/44/67/347144467.db2.gz GRMGYTMDFKWHEO-HNNXBMFYSA-N 1 2 294.439 3.418 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000593988557 347131184 /nfs/dbraw/zinc/13/11/84/347131184.db2.gz PNUUYKDURNGADQ-GFCCVEGCSA-N 1 2 293.370 3.387 20 30 CGEDLO CC(C)n1cc[nH+]c1CNc1ccc(CC#N)cc1 ZINC000594928358 347231436 /nfs/dbraw/zinc/23/14/36/347231436.db2.gz VYROIYFDHNOCSM-UHFFFAOYSA-N 1 2 254.337 3.142 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CCc2ccc(C#N)cc2)no1 ZINC000595293476 347287707 /nfs/dbraw/zinc/28/77/07/347287707.db2.gz ORTJOUNXOLNKFI-INIZCTEOSA-N 1 2 296.374 3.019 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)no1 ZINC000595293476 347287709 /nfs/dbraw/zinc/28/77/09/347287709.db2.gz ORTJOUNXOLNKFI-INIZCTEOSA-N 1 2 296.374 3.019 20 30 CGEDLO C=CC[N@@H+](Cc1cc(OC)ns1)Cc1cccc(C#N)c1 ZINC000595297538 347288202 /nfs/dbraw/zinc/28/82/02/347288202.db2.gz VSWPBNUODGSVFU-UHFFFAOYSA-N 1 2 299.399 3.212 20 30 CGEDLO C=CC[N@H+](Cc1cc(OC)ns1)Cc1cccc(C#N)c1 ZINC000595297538 347288205 /nfs/dbraw/zinc/28/82/05/347288205.db2.gz VSWPBNUODGSVFU-UHFFFAOYSA-N 1 2 299.399 3.212 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCSc1ccc(F)cc1F ZINC000595344280 347295202 /nfs/dbraw/zinc/29/52/02/347295202.db2.gz LDUXNRHWNQLVRO-SNVBAGLBSA-N 1 2 270.348 3.291 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCSc1ccc(F)cc1F ZINC000595344280 347295204 /nfs/dbraw/zinc/29/52/04/347295204.db2.gz LDUXNRHWNQLVRO-SNVBAGLBSA-N 1 2 270.348 3.291 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595617358 347328231 /nfs/dbraw/zinc/32/82/31/347328231.db2.gz ZAWRDALHRQTBRA-CHWSQXEVSA-N 1 2 293.436 3.366 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595617358 347328237 /nfs/dbraw/zinc/32/82/37/347328237.db2.gz ZAWRDALHRQTBRA-CHWSQXEVSA-N 1 2 293.436 3.366 20 30 CGEDLO CO[C@@]1(C)CCC[N@@H+]([C@@H](C#N)c2ccccc2)CC1 ZINC000595466579 347307474 /nfs/dbraw/zinc/30/74/74/347307474.db2.gz VPSPVSNMSOTXEQ-HOTGVXAUSA-N 1 2 258.365 3.142 20 30 CGEDLO CO[C@@]1(C)CCC[N@H+]([C@@H](C#N)c2ccccc2)CC1 ZINC000595466579 347307477 /nfs/dbraw/zinc/30/74/77/347307477.db2.gz VPSPVSNMSOTXEQ-HOTGVXAUSA-N 1 2 258.365 3.142 20 30 CGEDLO COc1ccc(-c2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)on2)cc1 ZINC000595834503 347363400 /nfs/dbraw/zinc/36/34/00/347363400.db2.gz LMKZMJUQAGEKFN-KRWDZBQOSA-N 1 2 297.358 3.086 20 30 CGEDLO COc1ccc(-c2cc(C[N@H+]3CC[C@@](C)(C#N)C3)on2)cc1 ZINC000595834503 347363404 /nfs/dbraw/zinc/36/34/04/347363404.db2.gz LMKZMJUQAGEKFN-KRWDZBQOSA-N 1 2 297.358 3.086 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000595842280 347366425 /nfs/dbraw/zinc/36/64/25/347366425.db2.gz YWBVNQJIDOGPLP-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000595842280 347366427 /nfs/dbraw/zinc/36/64/27/347366427.db2.gz YWBVNQJIDOGPLP-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842856 347366598 /nfs/dbraw/zinc/36/65/98/347366598.db2.gz HUJCISMVNQHTCK-DOMZBBRYSA-N 1 2 273.336 3.200 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842856 347366600 /nfs/dbraw/zinc/36/66/00/347366600.db2.gz HUJCISMVNQHTCK-DOMZBBRYSA-N 1 2 273.336 3.200 20 30 CGEDLO N#CCC1(CNc2cc(Nc3ccccc3)nc[nH+]2)CC1 ZINC000596217028 347399755 /nfs/dbraw/zinc/39/97/55/347399755.db2.gz WQXJWASYZZJSFT-UHFFFAOYSA-N 1 2 279.347 3.326 20 30 CGEDLO N#CCC1(CNc2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000596217028 347399760 /nfs/dbraw/zinc/39/97/60/347399760.db2.gz WQXJWASYZZJSFT-UHFFFAOYSA-N 1 2 279.347 3.326 20 30 CGEDLO COc1cccc2c(N3CCC[C@@H](CC#N)C3)cc[nH+]c12 ZINC000596329961 347419805 /nfs/dbraw/zinc/41/98/05/347419805.db2.gz NZRKQPSQHRZLDY-ZDUSSCGKSA-N 1 2 281.359 3.373 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000597161328 347543660 /nfs/dbraw/zinc/54/36/60/347543660.db2.gz PICZUOUXEPUONM-CYBMUJFWSA-N 1 2 295.390 3.068 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000597161328 347543662 /nfs/dbraw/zinc/54/36/62/347543662.db2.gz PICZUOUXEPUONM-CYBMUJFWSA-N 1 2 295.390 3.068 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000597025528 347528405 /nfs/dbraw/zinc/52/84/05/347528405.db2.gz BUSIBHDIUHKOQV-MSOLQXFVSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000597025528 347528410 /nfs/dbraw/zinc/52/84/10/347528410.db2.gz BUSIBHDIUHKOQV-MSOLQXFVSA-N 1 2 294.402 3.000 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597078898 347532995 /nfs/dbraw/zinc/53/29/95/347532995.db2.gz CTYGNBNLQSELPS-KRWDZBQOSA-N 1 2 288.366 3.493 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597078898 347532999 /nfs/dbraw/zinc/53/29/99/347532999.db2.gz CTYGNBNLQSELPS-KRWDZBQOSA-N 1 2 288.366 3.493 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000597083559 347534901 /nfs/dbraw/zinc/53/49/01/347534901.db2.gz SBJFHGYFHMIUIN-UHFFFAOYSA-N 1 2 272.270 3.066 20 30 CGEDLO N#Cc1cc(C[NH2+][C@@H](C(F)F)C2CCCCC2)ccn1 ZINC000598650422 347675836 /nfs/dbraw/zinc/67/58/36/347675836.db2.gz QOQVGNKQQFAEDG-CQSZACIVSA-N 1 2 279.334 3.257 20 30 CGEDLO CCC(F)(F)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000599069115 347714130 /nfs/dbraw/zinc/71/41/30/347714130.db2.gz VAYNBCRRWDRMGH-ZDUSSCGKSA-N 1 2 250.292 3.180 20 30 CGEDLO COc1ccc[nH+]c1N[C@H]1CCc2cc(C#N)ccc21 ZINC000599073887 347714293 /nfs/dbraw/zinc/71/42/93/347714293.db2.gz PKYSMCQATPUKEH-AWEZNQCLSA-N 1 2 265.316 3.061 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000600619477 347815330 /nfs/dbraw/zinc/81/53/30/347815330.db2.gz YUJHFEGDLLZDKW-SECBINFHSA-N 1 2 287.310 3.300 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cc(C#N)cs1)C2 ZINC000600207784 347793405 /nfs/dbraw/zinc/79/34/05/347793405.db2.gz NWBRNWKNWDVVKC-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000600207784 347793409 /nfs/dbraw/zinc/79/34/09/347793409.db2.gz NWBRNWKNWDVVKC-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO CC(C)N(C)c1ccc(-c2cccc(C#N)c2)c[nH+]1 ZINC000600777504 347833573 /nfs/dbraw/zinc/83/35/73/347833573.db2.gz QLIHRELEZLVSRR-UHFFFAOYSA-N 1 2 251.333 3.465 20 30 CGEDLO N#Cc1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)cc1 ZINC000600778385 347833609 /nfs/dbraw/zinc/83/36/09/347833609.db2.gz XSWMFNMQERAHFS-IRXDYDNUSA-N 1 2 293.370 3.336 20 30 CGEDLO N#Cc1cc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)ccc1F ZINC000600781671 347835183 /nfs/dbraw/zinc/83/51/83/347835183.db2.gz HJPCKUSRNXEWEH-OAHLLOKOSA-N 1 2 297.333 3.350 20 30 CGEDLO COc1ccc(-c2ccc(N(C)C(C)C)[nH+]c2)c(C#N)c1 ZINC000600789547 347836131 /nfs/dbraw/zinc/83/61/31/347836131.db2.gz FXXGIRKBFZMKHT-UHFFFAOYSA-N 1 2 281.359 3.473 20 30 CGEDLO COCCCCNc1ccc(-c2ccc(C)c(C#N)c2)c[nH+]1 ZINC000600793422 347837469 /nfs/dbraw/zinc/83/74/69/347837469.db2.gz OMYQBDPQYZFKSB-UHFFFAOYSA-N 1 2 295.386 3.189 20 30 CGEDLO CCc1cc(N)nc(S[C@H](C#N)CCc2ccccc2)[nH+]1 ZINC000601082166 347865695 /nfs/dbraw/zinc/86/56/95/347865695.db2.gz YTKAKISXRZLLQL-AWEZNQCLSA-N 1 2 298.415 3.069 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)sn1 ZINC000602466057 347962814 /nfs/dbraw/zinc/96/28/14/347962814.db2.gz VOGLQCJAUOQWPP-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)sn1 ZINC000602466057 347962818 /nfs/dbraw/zinc/96/28/18/347962818.db2.gz VOGLQCJAUOQWPP-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO N#CC1CCC([NH2+][C@H](C[C@@H]2CCCO2)C(F)(F)F)CC1 ZINC000602706138 348013456 /nfs/dbraw/zinc/01/34/56/348013456.db2.gz AWKXZECPZWHEPK-IFWUJCSASA-N 1 2 290.329 3.158 20 30 CGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CC1(CC#N)CC1 ZINC000602822492 348034168 /nfs/dbraw/zinc/03/41/68/348034168.db2.gz QXNZVGPAYYBLTH-HOTGVXAUSA-N 1 2 298.386 3.059 20 30 CGEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CC1(CC#N)CC1 ZINC000602822492 348034170 /nfs/dbraw/zinc/03/41/70/348034170.db2.gz QXNZVGPAYYBLTH-HOTGVXAUSA-N 1 2 298.386 3.059 20 30 CGEDLO Cc1c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976446 348048672 /nfs/dbraw/zinc/04/86/72/348048672.db2.gz PTSYMNNQCQLTEX-SWLSCSKDSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976446 348048673 /nfs/dbraw/zinc/04/86/73/348048673.db2.gz PTSYMNNQCQLTEX-SWLSCSKDSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(C)[nH+]1 ZINC000603018058 348054744 /nfs/dbraw/zinc/05/47/44/348054744.db2.gz WTGSKZOHJDLJKX-UONOGXRCSA-N 1 2 286.379 3.163 20 30 CGEDLO N#Cc1cc(C[N@@H+](Cc2ccccc2F)C2CC2)ccn1 ZINC000610991514 348414058 /nfs/dbraw/zinc/41/40/58/348414058.db2.gz OVNFELMSNFZDKV-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cc(C[N@H+](Cc2ccccc2F)C2CC2)ccn1 ZINC000610991514 348414059 /nfs/dbraw/zinc/41/40/59/348414059.db2.gz OVNFELMSNFZDKV-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994534 348416202 /nfs/dbraw/zinc/41/62/02/348416202.db2.gz SWUNIOARCLCZFE-LLVKDONJSA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994534 348416206 /nfs/dbraw/zinc/41/62/06/348416206.db2.gz SWUNIOARCLCZFE-LLVKDONJSA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1nccc2ccccc21)C1CC1 ZINC000611276085 348434255 /nfs/dbraw/zinc/43/42/55/348434255.db2.gz OKKSCRKODNXNLS-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1nccc2ccccc21)C1CC1 ZINC000611276085 348434257 /nfs/dbraw/zinc/43/42/57/348434257.db2.gz OKKSCRKODNXNLS-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C2CCCC2)no1)c1cccc(C#N)c1 ZINC000611388901 348443746 /nfs/dbraw/zinc/44/37/46/348443746.db2.gz RMNZQKSEZCWJJS-LBPRGKRZSA-N 1 2 296.374 3.450 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000612163701 348498343 /nfs/dbraw/zinc/49/83/43/348498343.db2.gz WSWALVUZHXZSKI-OAHLLOKOSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000612163701 348498345 /nfs/dbraw/zinc/49/83/45/348498345.db2.gz WSWALVUZHXZSKI-OAHLLOKOSA-N 1 2 280.318 3.414 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CSc1ccc(C#N)cn1 ZINC000358023252 233040240 /nfs/dbraw/zinc/04/02/40/233040240.db2.gz QKFJYSHSOQWFPT-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)s1 ZINC000339524363 215228182 /nfs/dbraw/zinc/22/81/82/215228182.db2.gz RQECSKRAIZCHQJ-UHFFFAOYSA-N 1 2 282.290 3.327 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1C ZINC000618606487 349120682 /nfs/dbraw/zinc/12/06/82/349120682.db2.gz MVIWBUKZYMUJAT-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1C ZINC000618606487 349120685 /nfs/dbraw/zinc/12/06/85/349120685.db2.gz MVIWBUKZYMUJAT-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC000619535210 349257727 /nfs/dbraw/zinc/25/77/27/349257727.db2.gz MHWHZMFYQUFYFP-UHFFFAOYSA-N 1 2 271.751 3.282 20 30 CGEDLO C=C[C@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)C(=O)OC ZINC000619703741 349277393 /nfs/dbraw/zinc/27/73/93/349277393.db2.gz QUQCDOLJIQUOBU-BCLQGDPASA-N 1 2 291.366 3.169 20 30 CGEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cs1 ZINC000619748831 349281693 /nfs/dbraw/zinc/28/16/93/349281693.db2.gz PVCABAGFQHQQOR-UHFFFAOYSA-N 1 2 277.780 3.266 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650083 349403605 /nfs/dbraw/zinc/40/36/05/349403605.db2.gz LECCTONFSHPODE-UHFFFAOYSA-N 1 2 269.348 3.350 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000633964156 351407066 /nfs/dbraw/zinc/40/70/66/351407066.db2.gz CTLMJVAOUBBCFU-UHFFFAOYSA-N 1 2 299.418 3.294 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636235797 351731045 /nfs/dbraw/zinc/73/10/45/351731045.db2.gz NGOUCHRZHDVVTO-OWCLPIDISA-N 1 2 287.407 3.180 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)s1 ZINC000124292832 187130888 /nfs/dbraw/zinc/13/08/88/187130888.db2.gz LCWRHFNLJUPFPN-UHFFFAOYSA-N 1 2 260.387 3.240 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)s1 ZINC000124292832 187130889 /nfs/dbraw/zinc/13/08/89/187130889.db2.gz LCWRHFNLJUPFPN-UHFFFAOYSA-N 1 2 260.387 3.240 20 30 CGEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2c2nccs2)CCC1 ZINC000335222849 303141718 /nfs/dbraw/zinc/14/17/18/303141718.db2.gz RVXNOEIDRFQINU-GFCCVEGCSA-N 1 2 261.394 3.364 20 30 CGEDLO N#CC1(C[N@H+]2CCCC[C@@H]2c2nccs2)CCC1 ZINC000335222849 303141723 /nfs/dbraw/zinc/14/17/23/303141723.db2.gz RVXNOEIDRFQINU-GFCCVEGCSA-N 1 2 261.394 3.364 20 30 CGEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573924907 334977766 /nfs/dbraw/zinc/97/77/66/334977766.db2.gz KCYTWFMMQJEKDH-NVXWUHKLSA-N 1 2 297.402 3.138 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(C#N)cc1 ZINC000271686922 191277487 /nfs/dbraw/zinc/27/74/87/191277487.db2.gz QOHZZQSAJUMNII-NSHDSACASA-N 1 2 284.363 3.090 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(C)c(C)o1)c1ccccc1 ZINC000271698207 191281680 /nfs/dbraw/zinc/28/16/80/191281680.db2.gz MABMKARYJJGAGW-OAHLLOKOSA-N 1 2 254.333 3.146 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC=C(c3ccccc3)C2)n1 ZINC000336402692 213260182 /nfs/dbraw/zinc/26/01/82/213260182.db2.gz VPYUSDBSEYIAAU-UHFFFAOYSA-N 1 2 281.384 3.304 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC=C(c3ccccc3)C2)n1 ZINC000336402692 213260185 /nfs/dbraw/zinc/26/01/85/213260185.db2.gz VPYUSDBSEYIAAU-UHFFFAOYSA-N 1 2 281.384 3.304 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccncc2)C2CC2)c(F)c1 ZINC000124892864 138378379 /nfs/dbraw/zinc/37/83/79/138378379.db2.gz OWMYEKXGQFMONT-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c(F)c1 ZINC000124892864 138378381 /nfs/dbraw/zinc/37/83/81/138378381.db2.gz OWMYEKXGQFMONT-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2cc(F)ncc2F)C2CC2)cc1 ZINC000294512251 199068227 /nfs/dbraw/zinc/06/82/27/199068227.db2.gz DDZLUEYRPHMTRA-UHFFFAOYSA-N 1 2 299.324 3.396 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2cc(F)ncc2F)C2CC2)cc1 ZINC000294512251 199068229 /nfs/dbraw/zinc/06/82/29/199068229.db2.gz DDZLUEYRPHMTRA-UHFFFAOYSA-N 1 2 299.324 3.396 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000294893241 199235099 /nfs/dbraw/zinc/23/50/99/199235099.db2.gz DDLHDFUJLUFZHF-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO Cc1cccc2[nH+]cc(CNc3ccc(F)c(C#N)c3)n21 ZINC000432417305 236704963 /nfs/dbraw/zinc/70/49/63/236704963.db2.gz LMQPZVKYSLFFKD-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000121191307 370838117 /nfs/dbraw/zinc/83/81/17/370838117.db2.gz QAAAXAWJJCZJNX-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000121191307 370838125 /nfs/dbraw/zinc/83/81/25/370838125.db2.gz QAAAXAWJJCZJNX-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO CCN(CC)c1ccc(NCc2ccc(C#N)cc2)c[nH+]1 ZINC000037003421 369050178 /nfs/dbraw/zinc/05/01/78/369050178.db2.gz MMGZCDSFXIMQIN-UHFFFAOYSA-N 1 2 280.375 3.412 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000127583687 370953935 /nfs/dbraw/zinc/95/39/35/370953935.db2.gz MBMDDFSDMQEUAV-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000127583687 370953944 /nfs/dbraw/zinc/95/39/44/370953944.db2.gz MBMDDFSDMQEUAV-UHFFFAOYSA-N 1 2 290.407 3.466 20 30 CGEDLO COC(=O)C(C)(C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000129359674 370983086 /nfs/dbraw/zinc/98/30/86/370983086.db2.gz HNFYKNYEQITKCD-VCHYOVAHSA-N 1 2 285.343 3.164 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1F ZINC000056312325 369524185 /nfs/dbraw/zinc/52/41/85/369524185.db2.gz NGVVJAJGRAAYTD-UHFFFAOYSA-N 1 2 298.361 3.113 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1F ZINC000056312325 369524190 /nfs/dbraw/zinc/52/41/90/369524190.db2.gz NGVVJAJGRAAYTD-UHFFFAOYSA-N 1 2 298.361 3.113 20 30 CGEDLO C=CCCN(C)c1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000276335008 193290938 /nfs/dbraw/zinc/29/09/38/193290938.db2.gz REFSWPNVQIDUJX-UHFFFAOYSA-N 1 2 268.364 3.113 20 30 CGEDLO N#CCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483800 369587932 /nfs/dbraw/zinc/58/79/32/369587932.db2.gz JJBHFOQVAYJAGU-UHFFFAOYSA-N 1 2 276.767 3.148 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233467 370020635 /nfs/dbraw/zinc/02/06/35/370020635.db2.gz SAGZLZNEGKBATL-AWEZNQCLSA-N 1 2 290.407 3.230 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000086233467 370020639 /nfs/dbraw/zinc/02/06/39/370020639.db2.gz SAGZLZNEGKBATL-AWEZNQCLSA-N 1 2 290.407 3.230 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccccn2)s1)C[C@@H](C)C#N ZINC000091984262 370085820 /nfs/dbraw/zinc/08/58/20/370085820.db2.gz OAMVQZMNTVTNMT-LBPRGKRZSA-N 1 2 286.404 3.187 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccccn2)s1)C[C@@H](C)C#N ZINC000091984262 370085826 /nfs/dbraw/zinc/08/58/26/370085826.db2.gz OAMVQZMNTVTNMT-LBPRGKRZSA-N 1 2 286.404 3.187 20 30 CGEDLO Cc1ccn2c(C[N@H+](CCC#N)CC(C)(C)C)cnc2c1 ZINC000093101167 370110138 /nfs/dbraw/zinc/11/01/38/370110138.db2.gz IEDMVEHAELOSGC-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccn2c(C[N@@H+](CCC#N)CC(C)(C)C)cnc2c1 ZINC000093101167 370110146 /nfs/dbraw/zinc/11/01/46/370110146.db2.gz IEDMVEHAELOSGC-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO C=CCc1cc(C[NH2+]C2(C(F)F)CC2)cc(OC)c1O ZINC000337304823 376205452 /nfs/dbraw/zinc/20/54/52/376205452.db2.gz QXNRDKHMQFIJPV-UHFFFAOYSA-N 1 2 283.318 3.017 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000157652727 372030681 /nfs/dbraw/zinc/03/06/81/372030681.db2.gz UCNVVXDJWBFPSF-DOMZBBRYSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000157652727 372030690 /nfs/dbraw/zinc/03/06/90/372030690.db2.gz UCNVVXDJWBFPSF-DOMZBBRYSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H](C)C#N ZINC000157643183 372031272 /nfs/dbraw/zinc/03/12/72/372031272.db2.gz FBYJWQSWVSFNIC-NSHDSACASA-N 1 2 294.782 3.093 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H](C)C#N ZINC000157643183 372031276 /nfs/dbraw/zinc/03/12/76/372031276.db2.gz FBYJWQSWVSFNIC-NSHDSACASA-N 1 2 294.782 3.093 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc2ccccn12 ZINC000157979673 372045923 /nfs/dbraw/zinc/04/59/23/372045923.db2.gz BDWUVAXYMSETAH-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc2ccccn12 ZINC000157979673 372045929 /nfs/dbraw/zinc/04/59/29/372045929.db2.gz BDWUVAXYMSETAH-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)C[C@H](C)C#N ZINC000159074572 372105490 /nfs/dbraw/zinc/10/54/90/372105490.db2.gz UQMBLMGEJISRGL-CQSZACIVSA-N 1 2 258.365 3.049 20 30 CGEDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)C[C@H](C)C#N ZINC000159074572 372105493 /nfs/dbraw/zinc/10/54/93/372105493.db2.gz UQMBLMGEJISRGL-CQSZACIVSA-N 1 2 258.365 3.049 20 30 CGEDLO COCc1cc(N[C@@H]2CC[C@H](C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000425271157 372118556 /nfs/dbraw/zinc/11/85/56/372118556.db2.gz HKNPOZVLWXNQMK-WCQYABFASA-N 1 2 299.349 3.046 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428954908 372290336 /nfs/dbraw/zinc/29/03/36/372290336.db2.gz MNHAHZQGBSNWFG-BXKDBHETSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428954908 372290342 /nfs/dbraw/zinc/29/03/42/372290342.db2.gz MNHAHZQGBSNWFG-BXKDBHETSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H](C)S1 ZINC000160815531 372277329 /nfs/dbraw/zinc/27/73/29/372277329.db2.gz CAIMWABTBSYPNQ-PHIMTYICSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H](C)S1 ZINC000160815531 372277331 /nfs/dbraw/zinc/27/73/31/372277331.db2.gz CAIMWABTBSYPNQ-PHIMTYICSA-N 1 2 264.369 3.023 20 30 CGEDLO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000161303116 372316284 /nfs/dbraw/zinc/31/62/84/372316284.db2.gz LVGUBWRZNUQCFI-QGZVFWFLSA-N 1 2 290.382 3.334 20 30 CGEDLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000161303116 372316292 /nfs/dbraw/zinc/31/62/92/372316292.db2.gz LVGUBWRZNUQCFI-QGZVFWFLSA-N 1 2 290.382 3.334 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2cc(F)ccc2o1 ZINC000430110194 372385198 /nfs/dbraw/zinc/38/51/98/372385198.db2.gz HHACTOJCZOXRMT-UHFFFAOYSA-N 1 2 258.296 3.474 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2cc(F)ccc2o1 ZINC000430110194 372385204 /nfs/dbraw/zinc/38/52/04/372385204.db2.gz HHACTOJCZOXRMT-UHFFFAOYSA-N 1 2 258.296 3.474 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H](C)C#N ZINC000437579119 372851825 /nfs/dbraw/zinc/85/18/25/372851825.db2.gz KTDGONQXIARLCT-NSHDSACASA-N 1 2 259.328 3.289 20 30 CGEDLO CC[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H](C)C#N ZINC000437579119 372851837 /nfs/dbraw/zinc/85/18/37/372851837.db2.gz KTDGONQXIARLCT-NSHDSACASA-N 1 2 259.328 3.289 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1snc(Cl)c1C#N ZINC000295646987 372859424 /nfs/dbraw/zinc/85/94/24/372859424.db2.gz CRPBGSYRXOTBIW-UHFFFAOYSA-N 1 2 278.768 3.026 20 30 CGEDLO CC#CC[NH+]1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000441435514 373010883 /nfs/dbraw/zinc/01/08/83/373010883.db2.gz CIQGOQJJGNOCSB-KRWDZBQOSA-N 1 2 292.373 3.057 20 30 CGEDLO CC#CCN1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000441435514 373010888 /nfs/dbraw/zinc/01/08/88/373010888.db2.gz CIQGOQJJGNOCSB-KRWDZBQOSA-N 1 2 292.373 3.057 20 30 CGEDLO C=CCCC[NH2+]c1ccc(OC)c(N2CCOC2=O)c1 ZINC000172992607 373075310 /nfs/dbraw/zinc/07/53/10/373075310.db2.gz NEZRBOOFAMACHO-UHFFFAOYSA-N 1 2 276.336 3.030 20 30 CGEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(C#N)c1 ZINC000447088925 373402934 /nfs/dbraw/zinc/40/29/34/373402934.db2.gz VCTILTQKEIBKNA-UHFFFAOYSA-N 1 2 282.391 3.211 20 30 CGEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(C#N)c1 ZINC000447088925 373402945 /nfs/dbraw/zinc/40/29/45/373402945.db2.gz VCTILTQKEIBKNA-UHFFFAOYSA-N 1 2 282.391 3.211 20 30 CGEDLO Cc1cc(CNc2[nH+]cccc2OC(F)F)ccc1C#N ZINC000446969634 373387411 /nfs/dbraw/zinc/38/74/11/373387411.db2.gz NXEMYGLDRIKWGS-UHFFFAOYSA-N 1 2 289.285 3.475 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1ccc(C#N)cc1F ZINC000301137023 373673675 /nfs/dbraw/zinc/67/36/75/373673675.db2.gz BDIKGTPHORUAOJ-UHFFFAOYSA-N 1 2 294.333 3.468 20 30 CGEDLO N#Cc1nccnc1Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000301222714 373697070 /nfs/dbraw/zinc/69/70/70/373697070.db2.gz DBNZPTUQHFVQCG-UHFFFAOYSA-N 1 2 289.298 3.279 20 30 CGEDLO Cc1cc(NC[C@@H](C)C#N)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302142711 373823365 /nfs/dbraw/zinc/82/33/65/373823365.db2.gz FWWNFDWIQYAQBH-VIFPVBQESA-N 1 2 270.292 3.023 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000180058106 373961078 /nfs/dbraw/zinc/96/10/78/373961078.db2.gz PVYTUSFTZYWEES-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000180058106 373961085 /nfs/dbraw/zinc/96/10/85/373961085.db2.gz PVYTUSFTZYWEES-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO CC[N@H+](Cc1nnc(C2CC2)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000180412321 373999703 /nfs/dbraw/zinc/99/97/03/373999703.db2.gz WBRQLABWQKHQEU-GFCCVEGCSA-N 1 2 295.390 3.137 20 30 CGEDLO CC[N@@H+](Cc1nnc(C2CC2)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000180412321 373999709 /nfs/dbraw/zinc/99/97/09/373999709.db2.gz WBRQLABWQKHQEU-GFCCVEGCSA-N 1 2 295.390 3.137 20 30 CGEDLO CCc1ccc2[nH+]ccc(N(C)C[C@@H](C)C#N)c2c1 ZINC000450257144 374024323 /nfs/dbraw/zinc/02/43/23/374024323.db2.gz JXQMDYAMFFJSNM-LBPRGKRZSA-N 1 2 253.349 3.393 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nc(COC)no1)c1ccccc1 ZINC000180259692 373985010 /nfs/dbraw/zinc/98/50/10/373985010.db2.gz DKXJQXXJCZKIQI-CQSZACIVSA-N 1 2 287.363 3.013 20 30 CGEDLO Cc1c(C#N)cccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000181456530 374126255 /nfs/dbraw/zinc/12/62/55/374126255.db2.gz WMGMIBHLFNGMMG-UHFFFAOYSA-N 1 2 292.386 3.474 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181521229 374135475 /nfs/dbraw/zinc/13/54/75/374135475.db2.gz IGEJESAWPPSZTI-LJQANCHMSA-N 1 2 292.382 3.002 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181521229 374135482 /nfs/dbraw/zinc/13/54/82/374135482.db2.gz IGEJESAWPPSZTI-LJQANCHMSA-N 1 2 292.382 3.002 20 30 CGEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)O1 ZINC000328638065 374373786 /nfs/dbraw/zinc/37/37/86/374373786.db2.gz BFUGYNJTMOFNIL-YWPYICTPSA-N 1 2 299.374 3.347 20 30 CGEDLO Cn1c[nH+]cc1CCC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000328787591 374382673 /nfs/dbraw/zinc/38/26/73/374382673.db2.gz PANSZMNYRUZFTF-UHFFFAOYSA-N 1 2 292.408 3.395 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC(C)(C)CCOC)c1O ZINC000183621242 374434050 /nfs/dbraw/zinc/43/40/50/374434050.db2.gz JSINBTAMWCTMKH-GZTJUZNOSA-N 1 2 279.380 3.273 20 30 CGEDLO Cc1[nH]c(C(=O)NC(C)(C)c2cccc(C)c2)c[nH+]1 ZINC000330469825 374469340 /nfs/dbraw/zinc/46/93/40/374469340.db2.gz ZQYKOTGAZORBFI-UHFFFAOYSA-N 1 2 257.337 3.266 20 30 CGEDLO Cc1ccc(CNc2cccc(C#N)c2C)c(C)[nH+]1 ZINC000184491984 374530982 /nfs/dbraw/zinc/53/09/82/374530982.db2.gz VFZZIRRUFCZAKQ-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)o1 ZINC000334375238 374694952 /nfs/dbraw/zinc/69/49/52/374694952.db2.gz UWGLXSJWXJFDCQ-ZDUSSCGKSA-N 1 2 274.707 3.028 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185722562 374723261 /nfs/dbraw/zinc/72/32/61/374723261.db2.gz TVWBCTIAPTYFTI-JKSUJKDBSA-N 1 2 299.418 3.326 20 30 CGEDLO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186711777 374904188 /nfs/dbraw/zinc/90/41/88/374904188.db2.gz JPSROJGNVFCLMF-DTWKUNHWSA-N 1 2 290.190 3.287 20 30 CGEDLO CCOC1CC(CC/[NH+]=C/c2cc(OC)ccc2O)C1 ZINC000189648681 375429503 /nfs/dbraw/zinc/42/95/03/375429503.db2.gz RARTXZCVGOVSQP-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000191109058 375577225 /nfs/dbraw/zinc/57/72/25/375577225.db2.gz OADJQKKMVBMWKB-LBPRGKRZSA-N 1 2 266.385 3.168 20 30 CGEDLO C=CC[N@H+](CCOC)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000191109058 375577232 /nfs/dbraw/zinc/57/72/32/375577232.db2.gz OADJQKKMVBMWKB-LBPRGKRZSA-N 1 2 266.385 3.168 20 30 CGEDLO C[C@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009420 375613985 /nfs/dbraw/zinc/61/39/85/375613985.db2.gz SOICUUDCBHFPEX-GXFFZTMASA-N 1 2 293.317 3.112 20 30 CGEDLO C[C@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1(F)F ZINC000336009420 375613991 /nfs/dbraw/zinc/61/39/91/375613991.db2.gz SOICUUDCBHFPEX-GXFFZTMASA-N 1 2 293.317 3.112 20 30 CGEDLO C[N@H+](CCC#N)Cc1cc(Cl)cc2cccnc21 ZINC000505302654 375656700 /nfs/dbraw/zinc/65/67/00/375656700.db2.gz XSGYVKFCNKRIST-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cc(Cl)cc2cccnc21 ZINC000505302654 375656707 /nfs/dbraw/zinc/65/67/07/375656707.db2.gz XSGYVKFCNKRIST-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000516519285 375820866 /nfs/dbraw/zinc/82/08/66/375820866.db2.gz JWJTWSCTAYQBOT-SECBINFHSA-N 1 2 286.206 3.309 20 30 CGEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccccc1C#N ZINC000193467330 375880955 /nfs/dbraw/zinc/88/09/55/375880955.db2.gz OJRWVMIMDFWAFR-UHFFFAOYSA-N 1 2 284.359 3.108 20 30 CGEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccccc1C#N ZINC000193467330 375880964 /nfs/dbraw/zinc/88/09/64/375880964.db2.gz OJRWVMIMDFWAFR-UHFFFAOYSA-N 1 2 284.359 3.108 20 30 CGEDLO C[C@H](C#N)CN(Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000525833356 375885846 /nfs/dbraw/zinc/88/58/46/375885846.db2.gz HFEWMUIKWFBLGL-OAHLLOKOSA-N 1 2 294.402 3.055 20 30 CGEDLO COCC[N@H+](CCCC#N)Cc1ccc(F)cc1Cl ZINC000337506052 376225975 /nfs/dbraw/zinc/22/59/75/376225975.db2.gz OVYZIQAORCAGIZ-UHFFFAOYSA-N 1 2 284.762 3.231 20 30 CGEDLO COCC[N@@H+](CCCC#N)Cc1ccc(F)cc1Cl ZINC000337506052 376225981 /nfs/dbraw/zinc/22/59/81/376225981.db2.gz OVYZIQAORCAGIZ-UHFFFAOYSA-N 1 2 284.762 3.231 20 30 CGEDLO COc1cc(C[N@H+](C)CC2(C#N)CC2)ccc1OC(F)F ZINC000538360334 376235526 /nfs/dbraw/zinc/23/55/26/376235526.db2.gz HOLNYCOKLUKVCH-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1cc(C[N@@H+](C)CC2(C#N)CC2)ccc1OC(F)F ZINC000538360334 376235534 /nfs/dbraw/zinc/23/55/34/376235534.db2.gz HOLNYCOKLUKVCH-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO CC(C)CCc1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000338349572 376344884 /nfs/dbraw/zinc/34/48/84/376344884.db2.gz OJHXGZPEAOOLNG-ZDUSSCGKSA-N 1 2 298.390 3.381 20 30 CGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(F)cc1C#N)CCC2 ZINC000334303951 206339445 /nfs/dbraw/zinc/33/94/45/206339445.db2.gz GEVWXNQMUFNSMT-GFCCVEGCSA-N 1 2 284.338 3.192 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc2ccccc2nc1OC ZINC000545166799 376791308 /nfs/dbraw/zinc/79/13/08/376791308.db2.gz QCTSJPNNMAIAJN-CQSZACIVSA-N 1 2 269.348 3.025 20 30 CGEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1C ZINC000566836118 377500441 /nfs/dbraw/zinc/50/04/41/377500441.db2.gz XIBQZSKJRQBVPO-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO Cc1ccc(C#N)c(Sc2[nH+]cc3ccccn32)n1 ZINC000341361744 377527981 /nfs/dbraw/zinc/52/79/81/377527981.db2.gz HGPSWWSRYOZDFO-UHFFFAOYSA-N 1 2 266.329 3.061 20 30 CGEDLO Cc1ccc(COc2ccc(C#N)c(C)c2)c(C)[nH+]1 ZINC000434649475 249135437 /nfs/dbraw/zinc/13/54/37/249135437.db2.gz YXCBYZZCBYQXJE-UHFFFAOYSA-N 1 2 252.317 3.458 20 30 CGEDLO C[C@H](C/[NH+]=C/c1ccc(O)c(O)c1O)Cc1cccs1 ZINC000266012985 378013606 /nfs/dbraw/zinc/01/36/06/378013606.db2.gz RPHNHODZADEALA-JSJZUPIVSA-N 1 2 291.372 3.163 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000264443761 377985887 /nfs/dbraw/zinc/98/58/87/377985887.db2.gz CHLRVHNPYWADGL-UHFFFAOYSA-N 1 2 299.374 3.287 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000574700593 335040891 /nfs/dbraw/zinc/04/08/91/335040891.db2.gz DASGXPPBFSGXQJ-CYBMUJFWSA-N 1 2 288.782 3.308 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc1F ZINC000270374575 378341780 /nfs/dbraw/zinc/34/17/80/378341780.db2.gz ZVWJBUPWEHJJBS-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc1F ZINC000270374575 378341784 /nfs/dbraw/zinc/34/17/84/378341784.db2.gz ZVWJBUPWEHJJBS-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000271109224 378454415 /nfs/dbraw/zinc/45/44/15/378454415.db2.gz ALRUZRFPMMXEOI-SECBINFHSA-N 1 2 272.270 3.019 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000271109224 378454423 /nfs/dbraw/zinc/45/44/23/378454423.db2.gz ALRUZRFPMMXEOI-SECBINFHSA-N 1 2 272.270 3.019 20 30 CGEDLO CCCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC ZINC000271123574 378458134 /nfs/dbraw/zinc/45/81/34/378458134.db2.gz JFGLCGNEJKVDFT-CYBMUJFWSA-N 1 2 276.380 3.075 20 30 CGEDLO CCCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC ZINC000271123574 378458139 /nfs/dbraw/zinc/45/81/39/378458139.db2.gz JFGLCGNEJKVDFT-CYBMUJFWSA-N 1 2 276.380 3.075 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000271018175 378428393 /nfs/dbraw/zinc/42/83/93/378428393.db2.gz IRDDBITXUGAEGV-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000271018175 378428395 /nfs/dbraw/zinc/42/83/95/378428395.db2.gz IRDDBITXUGAEGV-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000271292677 378489830 /nfs/dbraw/zinc/48/98/30/378489830.db2.gz GFYAPYRPTAGYQU-TXJYOKQGSA-N 1 2 291.391 3.413 20 30 CGEDLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C#N)cc1F ZINC000346521231 378601545 /nfs/dbraw/zinc/60/15/45/378601545.db2.gz BTSMLQQZVMJDGM-XHDPSFHLSA-N 1 2 288.322 3.065 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000274284267 378802948 /nfs/dbraw/zinc/80/29/48/378802948.db2.gz YYAVGOMJDFKIQE-BDAKNGLRSA-N 1 2 290.367 3.269 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C2CC2)O1 ZINC000348206532 378838527 /nfs/dbraw/zinc/83/85/27/378838527.db2.gz PZBXEYNOIOSZFK-MEDUHNTESA-N 1 2 290.794 3.211 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C2CC2)O1 ZINC000348206532 378838530 /nfs/dbraw/zinc/83/85/30/378838530.db2.gz PZBXEYNOIOSZFK-MEDUHNTESA-N 1 2 290.794 3.211 20 30 CGEDLO C=CC[C@@H](C(=O)NCc1c[nH+]ccc1OC)c1ccccc1 ZINC000348316426 378903764 /nfs/dbraw/zinc/90/37/64/378903764.db2.gz IINYGVVMFQLDAO-MRXNPFEDSA-N 1 2 296.370 3.066 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nonc1C)c1ccc(F)c(F)c1 ZINC000274922079 378919190 /nfs/dbraw/zinc/91/91/90/378919190.db2.gz ZGZGTPUIOCZOTE-AWEZNQCLSA-N 1 2 279.290 3.063 20 30 CGEDLO C=CCC[C@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC000275201681 378948705 /nfs/dbraw/zinc/94/87/05/378948705.db2.gz YNEYOUUCIREVOC-HNNXBMFYSA-N 1 2 283.375 3.084 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CCC1 ZINC000276869815 379010276 /nfs/dbraw/zinc/01/02/76/379010276.db2.gz QIOCGYKHIJDAJB-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350013716 379479321 /nfs/dbraw/zinc/47/93/21/379479321.db2.gz PJVWAKWJZJOZOQ-DLRQAJBASA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350013716 379479325 /nfs/dbraw/zinc/47/93/25/379479325.db2.gz PJVWAKWJZJOZOQ-DLRQAJBASA-N 1 2 250.292 3.212 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)sc2C)n1 ZINC000279679193 379487349 /nfs/dbraw/zinc/48/73/49/379487349.db2.gz GJZWQHYMKCGJRC-UHFFFAOYSA-N 1 2 287.432 3.217 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)sc2C)n1 ZINC000279679193 379487358 /nfs/dbraw/zinc/48/73/58/379487358.db2.gz GJZWQHYMKCGJRC-UHFFFAOYSA-N 1 2 287.432 3.217 20 30 CGEDLO C=CCCO[C@H](C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279855136 379536061 /nfs/dbraw/zinc/53/60/61/379536061.db2.gz CDMXCZFCNUTCJX-CYBMUJFWSA-N 1 2 299.374 3.305 20 30 CGEDLO C=C(C)[C@@H]1OCCC[C@@H]1c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351239035 379688291 /nfs/dbraw/zinc/68/82/91/379688291.db2.gz UJAOBKKZCFCCIR-HOCLYGCPSA-N 1 2 299.374 3.203 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000378364821 379812991 /nfs/dbraw/zinc/81/29/91/379812991.db2.gz SANQKQWVMFTENV-AWEZNQCLSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000378364821 379812996 /nfs/dbraw/zinc/81/29/96/379812996.db2.gz SANQKQWVMFTENV-AWEZNQCLSA-N 1 2 299.399 3.360 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000352449933 379820349 /nfs/dbraw/zinc/82/03/49/379820349.db2.gz PBVQCRUCMZJRLT-UHFFFAOYSA-N 1 2 285.322 3.169 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nnc(CC)o1 ZINC000411481614 380147109 /nfs/dbraw/zinc/14/71/09/380147109.db2.gz AVFTUMCZPQDZTD-GFCCVEGCSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nnc(CC)o1 ZINC000411481614 380147114 /nfs/dbraw/zinc/14/71/14/380147114.db2.gz AVFTUMCZPQDZTD-GFCCVEGCSA-N 1 2 275.352 3.017 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC2(C#N)CCCCC2)no1 ZINC000411167492 380132056 /nfs/dbraw/zinc/13/20/56/380132056.db2.gz XKPKJSNOJDZQNM-UHFFFAOYSA-N 1 2 261.369 3.279 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)no1 ZINC000411167492 380132064 /nfs/dbraw/zinc/13/20/64/380132064.db2.gz XKPKJSNOJDZQNM-UHFFFAOYSA-N 1 2 261.369 3.279 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N(CC)CC ZINC000411187800 380134461 /nfs/dbraw/zinc/13/44/61/380134461.db2.gz QRLOGZVWTBKJTL-CQSZACIVSA-N 1 2 292.398 3.071 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N(CC)CC ZINC000411187800 380134463 /nfs/dbraw/zinc/13/44/63/380134463.db2.gz QRLOGZVWTBKJTL-CQSZACIVSA-N 1 2 292.398 3.071 20 30 CGEDLO C[N@H+](Cc1ccc2ccccc2n1)CC(C)(C)C#N ZINC000354036303 380292619 /nfs/dbraw/zinc/29/26/19/380292619.db2.gz GUJQTNGPMVXQGN-UHFFFAOYSA-N 1 2 253.349 3.216 20 30 CGEDLO C[N@@H+](Cc1ccc2ccccc2n1)CC(C)(C)C#N ZINC000354036303 380292627 /nfs/dbraw/zinc/29/26/27/380292627.db2.gz GUJQTNGPMVXQGN-UHFFFAOYSA-N 1 2 253.349 3.216 20 30 CGEDLO C=C[C@](C)(O)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000354411979 380428121 /nfs/dbraw/zinc/42/81/21/380428121.db2.gz ZHKYKXBJYIVLCW-KRWDZBQOSA-N 1 2 298.342 3.140 20 30 CGEDLO CCc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000355135577 380593759 /nfs/dbraw/zinc/59/37/59/380593759.db2.gz OLQNLTMBHIVTDA-SFHVURJKSA-N 1 2 296.370 3.287 20 30 CGEDLO CCc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000355135577 380593764 /nfs/dbraw/zinc/59/37/64/380593764.db2.gz OLQNLTMBHIVTDA-SFHVURJKSA-N 1 2 296.370 3.287 20 30 CGEDLO N#Cc1cccc(NCc2c[nH+]c3ccc(Cl)cn23)c1 ZINC000355741474 380765287 /nfs/dbraw/zinc/76/52/87/380765287.db2.gz MHZWSOBPIGDFHR-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=CCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421226839 380872648 /nfs/dbraw/zinc/87/26/48/380872648.db2.gz PAMULPYZIGBRGB-UHFFFAOYSA-N 1 2 277.433 3.328 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000334845844 207177509 /nfs/dbraw/zinc/17/75/09/207177509.db2.gz VJMTXGRFZVMJNJ-GFCCVEGCSA-N 1 2 287.363 3.143 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000334845844 207177511 /nfs/dbraw/zinc/17/75/11/207177511.db2.gz VJMTXGRFZVMJNJ-GFCCVEGCSA-N 1 2 287.363 3.143 20 30 CGEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000361383939 381724852 /nfs/dbraw/zinc/72/48/52/381724852.db2.gz AVRACNVNNZXYGZ-CQSZACIVSA-N 1 2 297.383 3.005 20 30 CGEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000361383939 381724856 /nfs/dbraw/zinc/72/48/56/381724856.db2.gz AVRACNVNNZXYGZ-CQSZACIVSA-N 1 2 297.383 3.005 20 30 CGEDLO C[C@H]1SCC[N@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000362300117 381935161 /nfs/dbraw/zinc/93/51/61/381935161.db2.gz SLJMAQKEKCTBIE-WDEREUQCSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H]1SCC[N@@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000362300117 381935168 /nfs/dbraw/zinc/93/51/68/381935168.db2.gz SLJMAQKEKCTBIE-WDEREUQCSA-N 1 2 264.369 3.023 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3)CCO2)c1 ZINC000367123316 382334221 /nfs/dbraw/zinc/33/42/21/382334221.db2.gz PMYSZGSWEXZQDZ-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)c1 ZINC000367123316 382334226 /nfs/dbraw/zinc/33/42/26/382334226.db2.gz PMYSZGSWEXZQDZ-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO CC[N@H+](Cc1cn(C(C)C)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000289147454 197246968 /nfs/dbraw/zinc/24/69/68/197246968.db2.gz PYVKJWSOFOQBBI-CQSZACIVSA-N 1 2 297.406 3.314 20 30 CGEDLO CC[N@@H+](Cc1cn(C(C)C)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000289147454 197246970 /nfs/dbraw/zinc/24/69/70/197246970.db2.gz PYVKJWSOFOQBBI-CQSZACIVSA-N 1 2 297.406 3.314 20 30 CGEDLO C#CCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187794929 262144300 /nfs/dbraw/zinc/14/43/00/262144300.db2.gz RQMFPYDBALFFBY-SNVBAGLBSA-N 1 2 253.292 3.125 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CCC1 ZINC000191468320 130240539 /nfs/dbraw/zinc/24/05/39/130240539.db2.gz DGXDEAYGHJKSGE-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO CCc1nc([C@@H](C)[NH2+]CC#Cc2ccccc2)cs1 ZINC000192182624 130390369 /nfs/dbraw/zinc/39/03/69/130390369.db2.gz GMSKMYRZUDSSHJ-CYBMUJFWSA-N 1 2 270.401 3.408 20 30 CGEDLO CCCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000093090948 392234282 /nfs/dbraw/zinc/23/42/82/392234282.db2.gz YIBFOSJJMMGSGM-ZDUSSCGKSA-N 1 2 276.380 3.218 20 30 CGEDLO CCCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000093090948 392234285 /nfs/dbraw/zinc/23/42/85/392234285.db2.gz YIBFOSJJMMGSGM-ZDUSSCGKSA-N 1 2 276.380 3.218 20 30 CGEDLO CC(C)(CCC#N)C[N@H+](CCC#N)Cc1ccccn1 ZINC000093100759 392234358 /nfs/dbraw/zinc/23/43/58/392234358.db2.gz CFAOGZDIJHBLDH-UHFFFAOYSA-N 1 2 270.380 3.127 20 30 CGEDLO CC(C)(CCC#N)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000093100759 392234363 /nfs/dbraw/zinc/23/43/63/392234363.db2.gz CFAOGZDIJHBLDH-UHFFFAOYSA-N 1 2 270.380 3.127 20 30 CGEDLO Cc1cccc(CCCNc2snc(Cl)c2C#N)[nH+]1 ZINC000286569051 392384027 /nfs/dbraw/zinc/38/40/27/392384027.db2.gz LKGFVAWXEAVUIH-UHFFFAOYSA-N 1 2 292.795 3.416 20 30 CGEDLO CC(C)CC[N@@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000154260797 392533711 /nfs/dbraw/zinc/53/37/11/392533711.db2.gz RAVVQDZNUZADMS-UHFFFAOYSA-N 1 2 272.367 3.439 20 30 CGEDLO CC(C)CC[N@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000154260797 392533717 /nfs/dbraw/zinc/53/37/17/392533717.db2.gz RAVVQDZNUZADMS-UHFFFAOYSA-N 1 2 272.367 3.439 20 30 CGEDLO CCCCCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151344427 392485295 /nfs/dbraw/zinc/48/52/95/392485295.db2.gz FVFBJLDHQOKPLL-HNNXBMFYSA-N 1 2 291.439 3.312 20 30 CGEDLO Cc1ccc(CC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000178721381 392683913 /nfs/dbraw/zinc/68/39/13/392683913.db2.gz XGQFLXCSFUXOIE-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO Cc1ccc(CC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000178721381 392683921 /nfs/dbraw/zinc/68/39/21/392683921.db2.gz XGQFLXCSFUXOIE-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000173874787 392630053 /nfs/dbraw/zinc/63/00/53/392630053.db2.gz BQOYCKFJYTZOCX-CYBMUJFWSA-N 1 2 296.374 3.342 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC000339006407 392938829 /nfs/dbraw/zinc/93/88/29/392938829.db2.gz JEJXPPMIGFFXEK-DYEKYZERSA-N 1 2 293.436 3.365 20 30 CGEDLO CCO[C@H](C)c1nc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC000339006407 392938834 /nfs/dbraw/zinc/93/88/34/392938834.db2.gz JEJXPPMIGFFXEK-DYEKYZERSA-N 1 2 293.436 3.365 20 30 CGEDLO N#CCCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000413017216 393017039 /nfs/dbraw/zinc/01/70/39/393017039.db2.gz YGUMSUVVRVUIPP-UHFFFAOYSA-N 1 2 251.742 3.135 20 30 CGEDLO C=CC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000347347885 393102700 /nfs/dbraw/zinc/10/27/00/393102700.db2.gz JNJQCCJUCKJLQG-SNVBAGLBSA-N 1 2 266.182 3.382 20 30 CGEDLO C=CC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000347347885 393102707 /nfs/dbraw/zinc/10/27/07/393102707.db2.gz JNJQCCJUCKJLQG-SNVBAGLBSA-N 1 2 266.182 3.382 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428414565 393462779 /nfs/dbraw/zinc/46/27/79/393462779.db2.gz QFRPAFAYVMYLMK-WFASDCNBSA-N 1 2 279.355 3.293 20 30 CGEDLO C=CCN(CC=C)c1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000359016839 393533157 /nfs/dbraw/zinc/53/31/57/393533157.db2.gz STTMLQUBKXAFGQ-UHFFFAOYSA-N 1 2 280.375 3.279 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C)n(C)n1)c1ccc(F)c(F)c1 ZINC000360630570 393571381 /nfs/dbraw/zinc/57/13/81/393571381.db2.gz VIZSFBGDSTWRDF-MRXNPFEDSA-N 1 2 291.345 3.414 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2[nH+]1 ZINC000448810819 393872064 /nfs/dbraw/zinc/87/20/64/393872064.db2.gz OBNDILHWUJXBCI-DIFFPNOSSA-N 1 2 296.374 3.394 20 30 CGEDLO C[C@H](c1csnn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450644572 394032765 /nfs/dbraw/zinc/03/27/65/394032765.db2.gz FWSQXSHQWRSGEV-GFCCVEGCSA-N 1 2 296.399 3.260 20 30 CGEDLO C[C@H](c1csnn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450644572 394032768 /nfs/dbraw/zinc/03/27/68/394032768.db2.gz FWSQXSHQWRSGEV-GFCCVEGCSA-N 1 2 296.399 3.260 20 30 CGEDLO CCc1ncc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000453399461 394233393 /nfs/dbraw/zinc/23/33/93/394233393.db2.gz XRBFCFZILYHHGK-SNVBAGLBSA-N 1 2 273.311 3.099 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2ccccc2C#N)n1 ZINC000080313221 165154776 /nfs/dbraw/zinc/15/47/76/165154776.db2.gz KFCYPICAEYNQGI-NSHDSACASA-N 1 2 257.362 3.174 20 30 CGEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(C#N)cs1 ZINC000093707284 165333941 /nfs/dbraw/zinc/33/39/41/165333941.db2.gz FRARUUCJYZZLRS-UHFFFAOYSA-N 1 2 290.388 3.170 20 30 CGEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(C#N)cs1 ZINC000093707284 165333943 /nfs/dbraw/zinc/33/39/43/165333943.db2.gz FRARUUCJYZZLRS-UHFFFAOYSA-N 1 2 290.388 3.170 20 30 CGEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)c2ccccc21 ZINC000180677736 165663670 /nfs/dbraw/zinc/66/36/70/165663670.db2.gz VMSPHXZRTMBMQJ-CYBMUJFWSA-N 1 2 288.354 3.330 20 30 CGEDLO CC(C)[C@@H](Nc1ncc(C#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000285753679 196387280 /nfs/dbraw/zinc/38/72/80/196387280.db2.gz UXJHSQRTKIMCMO-LLVKDONJSA-N 1 2 275.743 3.139 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000131193567 287372950 /nfs/dbraw/zinc/37/29/50/287372950.db2.gz VLEOUAKIYPTMTN-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000131193567 287372951 /nfs/dbraw/zinc/37/29/51/287372951.db2.gz VLEOUAKIYPTMTN-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO FC(F)(F)[C@@H]1C[NH+](CC2(F)CC2)C[C@H]1C(F)(F)F ZINC000684363877 543985590 /nfs/dbraw/zinc/98/55/90/543985590.db2.gz XQLIFYWLPDVTOQ-RNFRBKRXSA-N 1 2 279.199 3.161 20 30 CGEDLO C=CCOc1ccc(C[NH2+]C(C)(C)C(F)F)cc1OC ZINC000684413674 543996450 /nfs/dbraw/zinc/99/64/50/543996450.db2.gz VMEDNZGNRVORHS-UHFFFAOYSA-N 1 2 285.334 3.393 20 30 CGEDLO CSc1ccc(NCc2ccc(C#N)s2)[nH+]c1 ZINC000150886207 287502043 /nfs/dbraw/zinc/50/20/43/287502043.db2.gz VFHXLEZASUNIDF-UHFFFAOYSA-N 1 2 261.375 3.349 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659822150 419000582 /nfs/dbraw/zinc/00/05/82/419000582.db2.gz JOJJAOLBNRUUPY-ZDUSSCGKSA-N 1 2 270.380 3.116 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659822150 419000586 /nfs/dbraw/zinc/00/05/86/419000586.db2.gz JOJJAOLBNRUUPY-ZDUSSCGKSA-N 1 2 270.380 3.116 20 30 CGEDLO C=CCOCC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708199 419184093 /nfs/dbraw/zinc/18/40/93/419184093.db2.gz NKLCTXDLKPXNRC-NSHDSACASA-N 1 2 293.798 3.412 20 30 CGEDLO C=CCOCC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708199 419184095 /nfs/dbraw/zinc/18/40/95/419184095.db2.gz NKLCTXDLKPXNRC-NSHDSACASA-N 1 2 293.798 3.412 20 30 CGEDLO C=CC[N@H+](Cc1csc(-c2ccco2)n1)[C@H](C)COC ZINC000661242949 419244035 /nfs/dbraw/zinc/24/40/35/419244035.db2.gz HLQFPCKOEVSNDL-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@H](C)COC ZINC000661242949 419244038 /nfs/dbraw/zinc/24/40/38/419244038.db2.gz HLQFPCKOEVSNDL-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@H+](Cc1csc(C2CC2)n1)[C@H](C)COC ZINC000661241338 419244193 /nfs/dbraw/zinc/24/41/93/419244193.db2.gz WANMCFRBRQKJHO-LLVKDONJSA-N 1 2 266.410 3.043 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C2CC2)n1)[C@H](C)COC ZINC000661241338 419244194 /nfs/dbraw/zinc/24/41/94/419244194.db2.gz WANMCFRBRQKJHO-LLVKDONJSA-N 1 2 266.410 3.043 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661154768 419235289 /nfs/dbraw/zinc/23/52/89/419235289.db2.gz QXZFTNQYDQGIJJ-CQSZACIVSA-N 1 2 295.386 3.285 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000661154768 419235291 /nfs/dbraw/zinc/23/52/91/419235291.db2.gz QXZFTNQYDQGIJJ-CQSZACIVSA-N 1 2 295.386 3.285 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000331431842 228100435 /nfs/dbraw/zinc/10/04/35/228100435.db2.gz UEAAVVFFJARLID-ZYHUDNBSSA-N 1 2 273.361 3.185 20 30 CGEDLO Cc1ccc(CCC[N@H+](CCC#N)Cc2ccccn2)cn1 ZINC000353630842 228136294 /nfs/dbraw/zinc/13/62/94/228136294.db2.gz YPJZVMRCDXVDNW-UHFFFAOYSA-N 1 2 294.402 3.134 20 30 CGEDLO Cc1ccc(CCC[N@@H+](CCC#N)Cc2ccccn2)cn1 ZINC000353630842 228136297 /nfs/dbraw/zinc/13/62/97/228136297.db2.gz YPJZVMRCDXVDNW-UHFFFAOYSA-N 1 2 294.402 3.134 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@@H+](C[C@H](C#N)CCC#N)C2 ZINC000153214114 261075441 /nfs/dbraw/zinc/07/54/41/261075441.db2.gz AAVLVYBKIKFICZ-HNNXBMFYSA-N 1 2 297.402 3.277 20 30 CGEDLO CCCOc1ccc2c(c1)CC[N@H+](C[C@H](C#N)CCC#N)C2 ZINC000153214114 261075442 /nfs/dbraw/zinc/07/54/42/261075442.db2.gz AAVLVYBKIKFICZ-HNNXBMFYSA-N 1 2 297.402 3.277 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000191324628 262191231 /nfs/dbraw/zinc/19/12/31/262191231.db2.gz WYBSUGOQJZKADZ-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000191324628 262191233 /nfs/dbraw/zinc/19/12/33/262191233.db2.gz WYBSUGOQJZKADZ-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO C=CCCC[N@@H+](CC(=O)OCC)Cc1ccc(F)cc1 ZINC000522775319 262340474 /nfs/dbraw/zinc/34/04/74/262340474.db2.gz MSIBKFSSPRFJQF-UHFFFAOYSA-N 1 2 279.355 3.157 20 30 CGEDLO C=CCCC[N@H+](CC(=O)OCC)Cc1ccc(F)cc1 ZINC000522775319 262340476 /nfs/dbraw/zinc/34/04/76/262340476.db2.gz MSIBKFSSPRFJQF-UHFFFAOYSA-N 1 2 279.355 3.157 20 30 CGEDLO CC(C)C[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271955694 263000498 /nfs/dbraw/zinc/00/04/98/263000498.db2.gz SFBUEDJAXCOKEK-CNTTZWEVSA-N 1 2 261.365 3.405 20 30 CGEDLO CCc1cc(N)nc(S[C@H](C#N)C2CCCCC2)[nH+]1 ZINC000279058946 263052583 /nfs/dbraw/zinc/05/25/83/263052583.db2.gz IGSNFKNBESERBJ-GFCCVEGCSA-N 1 2 276.409 3.186 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279891255 263057933 /nfs/dbraw/zinc/05/79/33/263057933.db2.gz SQVPABJKALLMLC-JTQLQIEISA-N 1 2 251.399 3.222 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2CCC(C#N)CC2)c1O ZINC000281843696 263072278 /nfs/dbraw/zinc/07/22/78/263072278.db2.gz TVXAHQVXNMIGHT-WOJGMQOQSA-N 1 2 272.348 3.150 20 30 CGEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290028414 263114010 /nfs/dbraw/zinc/11/40/10/263114010.db2.gz AVOKZXNASYATPR-UHFFFAOYSA-N 1 2 299.378 3.128 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2nc(C)ccc2c1 ZINC000292707377 263134080 /nfs/dbraw/zinc/13/40/80/263134080.db2.gz CYJAFWWKSBPBCM-UHFFFAOYSA-N 1 2 265.360 3.445 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2nc(C)ccc2c1 ZINC000292707377 263134081 /nfs/dbraw/zinc/13/40/81/263134081.db2.gz CYJAFWWKSBPBCM-UHFFFAOYSA-N 1 2 265.360 3.445 20 30 CGEDLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)C[C@@H](C)C#N ZINC000297632847 263207348 /nfs/dbraw/zinc/20/73/48/263207348.db2.gz HYJZOERTPCEZEA-JTQLQIEISA-N 1 2 288.420 3.173 20 30 CGEDLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C[C@@H](C)C#N ZINC000297632847 263207349 /nfs/dbraw/zinc/20/73/49/263207349.db2.gz HYJZOERTPCEZEA-JTQLQIEISA-N 1 2 288.420 3.173 20 30 CGEDLO C[C@H]([NH2+]CCC#N)c1nc(-c2ccccc2)cs1 ZINC000298981851 263228538 /nfs/dbraw/zinc/22/85/38/263228538.db2.gz PLVMVQHQCAMFMR-NSHDSACASA-N 1 2 257.362 3.374 20 30 CGEDLO Cc1cc(N[C@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000164316363 263280429 /nfs/dbraw/zinc/28/04/29/263280429.db2.gz KAJQOLDSJWEKSP-CQSZACIVSA-N 1 2 252.321 3.242 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H](C)C#N ZINC000341877490 263361248 /nfs/dbraw/zinc/36/12/48/263361248.db2.gz REIZPOZCPHJQNZ-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H](C)C#N ZINC000341877490 263361251 /nfs/dbraw/zinc/36/12/51/263361251.db2.gz REIZPOZCPHJQNZ-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000341969956 263373077 /nfs/dbraw/zinc/37/30/77/263373077.db2.gz WNHKHNFPGLKSTC-UHFFFAOYSA-N 1 2 255.321 3.003 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000342019014 263379515 /nfs/dbraw/zinc/37/95/15/263379515.db2.gz YUILHIHNAFSYGW-GFCCVEGCSA-N 1 2 278.783 3.319 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000342184866 263395307 /nfs/dbraw/zinc/39/53/07/263395307.db2.gz JHVSQTQXNYLKOM-ZDUSSCGKSA-N 1 2 269.348 3.413 20 30 CGEDLO CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)C[C@@H](C)C#N ZINC000425405903 264283904 /nfs/dbraw/zinc/28/39/04/264283904.db2.gz ZLOHKAGFHRHHOQ-AWEZNQCLSA-N 1 2 280.375 3.125 20 30 CGEDLO CC[N@H+](Cc1ccc(-c2ccccn2)nc1)C[C@@H](C)C#N ZINC000425405903 264283906 /nfs/dbraw/zinc/28/39/06/264283906.db2.gz ZLOHKAGFHRHHOQ-AWEZNQCLSA-N 1 2 280.375 3.125 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000180039824 264390065 /nfs/dbraw/zinc/39/00/65/264390065.db2.gz UOFSELYJMOLDEM-CQSZACIVSA-N 1 2 257.337 3.175 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000280811088 264462102 /nfs/dbraw/zinc/46/21/02/264462102.db2.gz UHAZSTWOVGHLBT-SWLSCSKDSA-N 1 2 281.783 3.116 20 30 CGEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000294218268 265002493 /nfs/dbraw/zinc/00/24/93/265002493.db2.gz SDWZTQGJNWRZSW-GOSISDBHSA-N 1 2 293.414 3.482 20 30 CGEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000294218268 265002498 /nfs/dbraw/zinc/00/24/98/265002498.db2.gz SDWZTQGJNWRZSW-GOSISDBHSA-N 1 2 293.414 3.482 20 30 CGEDLO C=C[C@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000362611424 267021975 /nfs/dbraw/zinc/02/19/75/267021975.db2.gz CDBYIQPAOCATJU-ZDUSSCGKSA-N 1 2 282.343 3.487 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)cccc2Cl)CCC1 ZINC000418145952 267366402 /nfs/dbraw/zinc/36/64/02/267366402.db2.gz ZURJYQPMRYZXRO-UHFFFAOYSA-N 1 2 252.720 3.263 20 30 CGEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000185638279 267772755 /nfs/dbraw/zinc/77/27/55/267772755.db2.gz DCYOEOBMBHMGTP-UHFFFAOYSA-N 1 2 294.358 3.063 20 30 CGEDLO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329598334 280255873 /nfs/dbraw/zinc/25/58/73/280255873.db2.gz JINAKIVXCMQFJP-AGIUHOORSA-N 1 2 275.396 3.440 20 30 CGEDLO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329598334 280255876 /nfs/dbraw/zinc/25/58/76/280255876.db2.gz JINAKIVXCMQFJP-AGIUHOORSA-N 1 2 275.396 3.440 20 30 CGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595224 281012816 /nfs/dbraw/zinc/01/28/16/281012816.db2.gz IBHZSEFDWBDITJ-GHMZBOCLSA-N 1 2 261.369 3.050 20 30 CGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595224 281012818 /nfs/dbraw/zinc/01/28/18/281012818.db2.gz IBHZSEFDWBDITJ-GHMZBOCLSA-N 1 2 261.369 3.050 20 30 CGEDLO N#C[C@H]1[N@H+](CC2CCCC2)CCC[C@]12CCCCO2 ZINC000336551073 303172226 /nfs/dbraw/zinc/17/22/26/303172226.db2.gz HVOQUWFYVGIZIF-HZPDHXFCSA-N 1 2 262.397 3.104 20 30 CGEDLO N#C[C@H]1[N@@H+](CC2CCCC2)CCC[C@]12CCCCO2 ZINC000336551073 303172227 /nfs/dbraw/zinc/17/22/27/303172227.db2.gz HVOQUWFYVGIZIF-HZPDHXFCSA-N 1 2 262.397 3.104 20 30 CGEDLO CC(C)(CC#N)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413412775 328145888 /nfs/dbraw/zinc/14/58/88/328145888.db2.gz SNBLFUFCDPZSRP-UHFFFAOYSA-N 1 2 284.319 3.495 20 30 CGEDLO Cc1cc(NCc2ccc([C@H]3C[C@H]3C)o2)c(C#N)c[nH+]1 ZINC000563706561 322007371 /nfs/dbraw/zinc/00/73/71/322007371.db2.gz OPFJHPWGNNKNLE-YGRLFVJLSA-N 1 2 267.332 3.012 20 30 CGEDLO CC[N@H+](Cc1cc(C(C)=O)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000568468200 322210382 /nfs/dbraw/zinc/21/03/82/322210382.db2.gz CYYKSRWBKOQVOI-GFCCVEGCSA-N 1 2 297.358 3.332 20 30 CGEDLO CC[N@@H+](Cc1cc(C(C)=O)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000568468200 322210385 /nfs/dbraw/zinc/21/03/85/322210385.db2.gz CYYKSRWBKOQVOI-GFCCVEGCSA-N 1 2 297.358 3.332 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000569822516 322258148 /nfs/dbraw/zinc/25/81/48/322258148.db2.gz MXHGNZKMPYCJHW-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000569822516 322258150 /nfs/dbraw/zinc/25/81/50/322258150.db2.gz MXHGNZKMPYCJHW-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000343982212 328554899 /nfs/dbraw/zinc/55/48/99/328554899.db2.gz QZQJXPWMTNXFIO-INIZCTEOSA-N 1 2 269.348 3.413 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nccs1 ZINC000080268426 326928476 /nfs/dbraw/zinc/92/84/76/326928476.db2.gz LCLHWTGGYOFLED-GFCCVEGCSA-N 1 2 272.373 3.006 20 30 CGEDLO COc1cccc(C([NH2+]CCC#N)c2cccc(OC)c2)c1 ZINC000564847776 327012007 /nfs/dbraw/zinc/01/20/07/327012007.db2.gz GRLFKFYUZVGCEQ-UHFFFAOYSA-N 1 2 296.370 3.296 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2ccc(CC#N)cc2)c1 ZINC000214090028 327016357 /nfs/dbraw/zinc/01/63/57/327016357.db2.gz TXHUYCOLXMEKQH-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO C=CC[C@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000561267259 327381090 /nfs/dbraw/zinc/38/10/90/327381090.db2.gz ARKYYCCTYPFNOT-SNVBAGLBSA-N 1 2 262.740 3.237 20 30 CGEDLO C=CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377483302 329016470 /nfs/dbraw/zinc/01/64/70/329016470.db2.gz BKRSVNWPMNWGTL-CYBMUJFWSA-N 1 2 287.281 3.145 20 30 CGEDLO C=CC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377483302 329016472 /nfs/dbraw/zinc/01/64/72/329016472.db2.gz BKRSVNWPMNWGTL-CYBMUJFWSA-N 1 2 287.281 3.145 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377663241 329023705 /nfs/dbraw/zinc/02/37/05/329023705.db2.gz UKLUNVOJAGETDB-OAHLLOKOSA-N 1 2 295.386 3.044 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc2c1OCCO2 ZINC000173544304 329148905 /nfs/dbraw/zinc/14/89/05/329148905.db2.gz NPMLQESTJQDLFK-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc2c1OCCO2 ZINC000173544304 329148907 /nfs/dbraw/zinc/14/89/07/329148907.db2.gz NPMLQESTJQDLFK-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCC(C)(C)CC#N)c(C)[nH+]1 ZINC000459574843 329336833 /nfs/dbraw/zinc/33/68/33/329336833.db2.gz DDXWMSQHAGYOGE-UHFFFAOYSA-N 1 2 274.368 3.068 20 30 CGEDLO C[C@H]1CCc2nc(C[NH+]3CCC(C#N)CC3)sc2C1 ZINC000123718634 329562010 /nfs/dbraw/zinc/56/20/10/329562010.db2.gz SZVVGPQBLYXKHW-NSHDSACASA-N 1 2 275.421 3.003 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)ccc1Br ZINC000134976171 329661686 /nfs/dbraw/zinc/66/16/86/329661686.db2.gz MFZSUJXDUXRPGY-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO C=C[C@](C)(CC)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000420508828 329772387 /nfs/dbraw/zinc/77/23/87/329772387.db2.gz ARFITTBJGHNCQG-OAHLLOKOSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CCCCCCN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423210153 330177763 /nfs/dbraw/zinc/17/77/63/330177763.db2.gz VZMXGAALCTYPNP-OAHLLOKOSA-N 1 2 296.361 3.169 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000527763693 330281503 /nfs/dbraw/zinc/28/15/03/330281503.db2.gz LTSKRPIOYMQHIJ-UHFFFAOYSA-N 1 2 270.336 3.140 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccc2)nc1)CC1CC1 ZINC000532986734 330323295 /nfs/dbraw/zinc/32/32/95/330323295.db2.gz FWUWDAMVMRATDX-UHFFFAOYSA-N 1 2 292.386 3.269 20 30 CGEDLO N#CCC[N@H+](Cc1cnc(-c2ccccc2)nc1)CC1CC1 ZINC000532986734 330323296 /nfs/dbraw/zinc/32/32/96/330323296.db2.gz FWUWDAMVMRATDX-UHFFFAOYSA-N 1 2 292.386 3.269 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000056117943 330367693 /nfs/dbraw/zinc/36/76/93/330367693.db2.gz LFZLEHMRLHLPHT-GFCCVEGCSA-N 1 2 271.389 3.389 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000056117943 330367694 /nfs/dbraw/zinc/36/76/94/330367694.db2.gz LFZLEHMRLHLPHT-GFCCVEGCSA-N 1 2 271.389 3.389 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000071297981 330369116 /nfs/dbraw/zinc/36/91/16/330369116.db2.gz OEDRQYOWNYVBPV-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425287323 330495155 /nfs/dbraw/zinc/49/51/55/330495155.db2.gz IVOPCLWOARRFJS-CVEARBPZSA-N 1 2 297.402 3.403 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442833687 330785955 /nfs/dbraw/zinc/78/59/55/330785955.db2.gz HZUJAEHOWCKOPN-RDBSUJKOSA-N 1 2 280.412 3.026 20 30 CGEDLO C=C(C)CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454730308 331152534 /nfs/dbraw/zinc/15/25/34/331152534.db2.gz UJBCDMIUSMTFBL-UHFFFAOYSA-N 1 2 284.363 3.175 20 30 CGEDLO C=CCC1(CNC(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000455041860 331159402 /nfs/dbraw/zinc/15/94/02/331159402.db2.gz YAGKJQKLMSJENW-UHFFFAOYSA-N 1 2 273.380 3.070 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C[C@@H](C)C#N)C2CC2)c(C)[nH+]1 ZINC000455494693 331171076 /nfs/dbraw/zinc/17/10/76/331171076.db2.gz NOAGBQKUTAWQTF-JTQLQIEISA-N 1 2 286.379 3.163 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCC(C)(C)CCC#N)c(C)[nH+]1 ZINC000455527747 331172281 /nfs/dbraw/zinc/17/22/81/331172281.db2.gz QOCPGJVPKFVMAR-UHFFFAOYSA-N 1 2 288.395 3.458 20 30 CGEDLO C=CCC1(CNC(=O)Cc2cn3ccccc3[nH+]2)CCCC1 ZINC000456491311 331194167 /nfs/dbraw/zinc/19/41/67/331194167.db2.gz ZQGXYMYUAGFKCL-UHFFFAOYSA-N 1 2 297.402 3.130 20 30 CGEDLO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)cc(Cl)c1O ZINC000459316227 331275936 /nfs/dbraw/zinc/27/59/36/331275936.db2.gz AXLUCWGIOMZUCL-LLVKDONJSA-N 1 2 296.798 3.426 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)cc(Cl)c1O ZINC000459316227 331275937 /nfs/dbraw/zinc/27/59/37/331275937.db2.gz AXLUCWGIOMZUCL-LLVKDONJSA-N 1 2 296.798 3.426 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463237125 331343473 /nfs/dbraw/zinc/34/34/73/331343473.db2.gz KDXKTBTVEQNWNX-KKUMJFAQSA-N 1 2 294.439 3.416 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc([C@H](C)OC)n1 ZINC000489512031 332057652 /nfs/dbraw/zinc/05/76/52/332057652.db2.gz NSYFSLIYMQTGPI-WCQYABFASA-N 1 2 266.410 3.391 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc([C@H](C)OC)n1 ZINC000489512031 332057653 /nfs/dbraw/zinc/05/76/53/332057653.db2.gz NSYFSLIYMQTGPI-WCQYABFASA-N 1 2 266.410 3.391 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000490780239 332115155 /nfs/dbraw/zinc/11/51/55/332115155.db2.gz HLVPTRUAJCBWCB-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000490780239 332115156 /nfs/dbraw/zinc/11/51/56/332115156.db2.gz HLVPTRUAJCBWCB-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO C#C[C@@H](NC(=O)Nc1c(C)cc[nH+]c1C)c1ccc(F)cc1 ZINC000491636157 332256971 /nfs/dbraw/zinc/25/69/71/332256971.db2.gz SSWBYNVKNJYNDB-OAHLLOKOSA-N 1 2 297.333 3.334 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccc(F)cc1 ZINC000491801041 332355457 /nfs/dbraw/zinc/35/54/57/332355457.db2.gz BRDMYMLVNQBODG-KRWDZBQOSA-N 1 2 299.345 3.307 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1F ZINC000491810328 332362975 /nfs/dbraw/zinc/36/29/75/332362975.db2.gz HWQXHXDOLWSHKY-HNNXBMFYSA-N 1 2 276.742 3.282 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000505842624 332754475 /nfs/dbraw/zinc/75/44/75/332754475.db2.gz NEKTZHBEWOIQFW-UHFFFAOYSA-N 1 2 276.336 3.168 20 30 CGEDLO C=CCC[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1 ZINC000178846036 333077957 /nfs/dbraw/zinc/07/79/57/333077957.db2.gz ATHKNJRSCUUSIH-HNNXBMFYSA-N 1 2 293.374 3.483 20 30 CGEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000517468793 333100193 /nfs/dbraw/zinc/10/01/93/333100193.db2.gz YSXKRRATWZIMJJ-IBGZPJMESA-N 1 2 298.430 3.214 20 30 CGEDLO CCN(CC)c1ccc(N[C@H]2CCC[C@H](C#N)C2)c[nH+]1 ZINC000185868173 333150675 /nfs/dbraw/zinc/15/06/75/333150675.db2.gz FOWXMVUJJSTZCF-KBPBESRZSA-N 1 2 272.396 3.422 20 30 CGEDLO C=CCCC[NH2+]c1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000542221619 333816972 /nfs/dbraw/zinc/81/69/72/333816972.db2.gz KNQKGEUUCSYPST-UHFFFAOYSA-N 1 2 285.395 3.472 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1noc(Cc2ccccc2)n1 ZINC000549547873 334197589 /nfs/dbraw/zinc/19/75/89/334197589.db2.gz PATLTKAPAVJQNG-QEJZJMRPSA-N 1 2 296.374 3.003 20 30 CGEDLO N#C[C@@H]1C[N@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000245508577 334198890 /nfs/dbraw/zinc/19/88/90/334198890.db2.gz SFSORSHVCLIBJZ-PKOBYXMFSA-N 1 2 295.430 3.053 20 30 CGEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000245508577 334198891 /nfs/dbraw/zinc/19/88/91/334198891.db2.gz SFSORSHVCLIBJZ-PKOBYXMFSA-N 1 2 295.430 3.053 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000552015563 334275235 /nfs/dbraw/zinc/27/52/35/334275235.db2.gz AFEWBTYBMHZPLZ-LLVKDONJSA-N 1 2 273.361 3.075 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000566429284 334648506 /nfs/dbraw/zinc/64/85/06/334648506.db2.gz SDCRLCLIMVBJGR-JTQLQIEISA-N 1 2 291.301 3.402 20 30 CGEDLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](CC)CC#N ZINC000581079391 335318461 /nfs/dbraw/zinc/31/84/61/335318461.db2.gz DYKNBFZYDJFLBW-OAHLLOKOSA-N 1 2 274.364 3.070 20 30 CGEDLO C=CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000577189901 335319491 /nfs/dbraw/zinc/31/94/91/335319491.db2.gz CHXCDMIWPZIABL-UHFFFAOYSA-N 1 2 271.364 3.119 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351239110 335586044 /nfs/dbraw/zinc/58/60/44/335586044.db2.gz URLQWNKQGYHAJM-NSHDSACASA-N 1 2 257.337 3.434 20 30 CGEDLO N#Cc1cccc(CCNc2ccc3ccccc3[nH+]2)c1 ZINC000581686920 336128304 /nfs/dbraw/zinc/12/83/04/336128304.db2.gz KVUHGQULDWXQCU-UHFFFAOYSA-N 1 2 273.339 3.183 20 30 CGEDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000581978765 336182875 /nfs/dbraw/zinc/18/28/75/336182875.db2.gz HTVQBLMSXJCAOJ-UHFFFAOYSA-N 1 2 292.338 3.005 20 30 CGEDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000581978765 336182876 /nfs/dbraw/zinc/18/28/76/336182876.db2.gz HTVQBLMSXJCAOJ-UHFFFAOYSA-N 1 2 292.338 3.005 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000425542605 534081908 /nfs/dbraw/zinc/08/19/08/534081908.db2.gz YJUFSYQKQZKLAX-ZDUSSCGKSA-N 1 2 297.406 3.098 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000425542605 534081916 /nfs/dbraw/zinc/08/19/16/534081916.db2.gz YJUFSYQKQZKLAX-ZDUSSCGKSA-N 1 2 297.406 3.098 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191208 523541204 /nfs/dbraw/zinc/54/12/04/523541204.db2.gz MKFRAACAZIZKEK-UHFFFAOYSA-N 1 2 294.280 3.406 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157501807 526614995 /nfs/dbraw/zinc/61/49/95/526614995.db2.gz JZWKNZTUWKNGBT-OAHLLOKOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157501807 526615004 /nfs/dbraw/zinc/61/50/04/526615004.db2.gz JZWKNZTUWKNGBT-OAHLLOKOSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CSc1cc(C#N)ccn1 ZINC000150892489 527180272 /nfs/dbraw/zinc/18/02/72/527180272.db2.gz XCGJQEBRGYVBCZ-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000352245665 527327877 /nfs/dbraw/zinc/32/78/77/527327877.db2.gz CJCDMYYKPIOHDF-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCC[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000352245665 527327880 /nfs/dbraw/zinc/32/78/80/527327880.db2.gz CJCDMYYKPIOHDF-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)cn1 ZINC000440468371 528347698 /nfs/dbraw/zinc/34/76/98/528347698.db2.gz WPASRKLSQJZTJK-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cn1 ZINC000440468371 528347701 /nfs/dbraw/zinc/34/77/01/528347701.db2.gz WPASRKLSQJZTJK-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO C#Cc1cccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000728574812 571812143 /nfs/dbraw/zinc/81/21/43/571812143.db2.gz RUBCPGKGSXBWGY-UHFFFAOYSA-N 1 2 293.292 3.063 20 30 CGEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(C)nn2)cc1 ZINC000729935470 571937296 /nfs/dbraw/zinc/93/72/96/571937296.db2.gz AHYKNONQIHDXDR-UHFFFAOYSA-N 1 2 283.379 3.077 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000731159452 572398794 /nfs/dbraw/zinc/39/87/94/572398794.db2.gz RHECKZXKVRUUAL-AATRIKPKSA-N 1 2 296.248 3.247 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(F)c(Br)c1 ZINC000731157670 572398847 /nfs/dbraw/zinc/39/88/47/572398847.db2.gz YUUVEVIGLUTVDW-ONEGZZNKSA-N 1 2 295.111 3.207 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000740764842 572456324 /nfs/dbraw/zinc/45/63/24/572456324.db2.gz IAZGDNUIUAAEDA-GXDHUFHOSA-N 1 2 274.323 3.465 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C/c2cccc(OC)c2O)c1 ZINC000732925594 572492386 /nfs/dbraw/zinc/49/23/86/572492386.db2.gz AJCBENJJQPFNJL-HCZVKUGISA-N 1 2 299.370 3.460 20 30 CGEDLO C=CC[N@@H+](CCc1ccc2ccccc2c1)CC(=O)OCC ZINC000733995326 572622491 /nfs/dbraw/zinc/62/24/91/572622491.db2.gz BRZLUGFSKUJVOS-UHFFFAOYSA-N 1 2 297.398 3.433 20 30 CGEDLO C=CC[N@H+](CCc1ccc2ccccc2c1)CC(=O)OCC ZINC000733995326 572622494 /nfs/dbraw/zinc/62/24/94/572622494.db2.gz BRZLUGFSKUJVOS-UHFFFAOYSA-N 1 2 297.398 3.433 20 30 CGEDLO C=C(Cl)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000736245396 572776782 /nfs/dbraw/zinc/77/67/82/572776782.db2.gz SQEPSGZAEFEGKU-UHFFFAOYSA-N 1 2 288.734 3.356 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCOC(C)(C)C)c(O)c1 ZINC000746682109 572891352 /nfs/dbraw/zinc/89/13/52/572891352.db2.gz PZSITPGCMXXMKD-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC000950663114 613294468 /nfs/dbraw/zinc/29/44/68/613294468.db2.gz PNOKTJZZZQIIQZ-NVXWUHKLSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980672028 613373427 /nfs/dbraw/zinc/37/34/27/613373427.db2.gz INIFMGKADAAQNO-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980672028 613373428 /nfs/dbraw/zinc/37/34/28/613373428.db2.gz INIFMGKADAAQNO-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000981892180 613373505 /nfs/dbraw/zinc/37/35/05/613373505.db2.gz KHVCZVGLICQMFF-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000981892180 613373506 /nfs/dbraw/zinc/37/35/06/613373506.db2.gz KHVCZVGLICQMFF-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO O=C1c2ccc(Cl)nc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000806578509 617805345 /nfs/dbraw/zinc/80/53/45/617805345.db2.gz UAXBXRXSDAECGZ-NTMALXAHSA-N 1 2 295.729 3.205 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccccc3O)n2c1 ZINC000255152270 617999289 /nfs/dbraw/zinc/99/92/89/617999289.db2.gz JVKAITHZDVIPGE-FPLPWBNLSA-N 1 2 278.311 3.244 20 30 CGEDLO CC[N@@H+](Cc1ccc(CC(C)C)nc1)C[C@H](C)C#N ZINC000891715563 618255935 /nfs/dbraw/zinc/25/59/35/618255935.db2.gz FBKIGTMJXRDADP-CQSZACIVSA-N 1 2 259.397 3.262 20 30 CGEDLO CC[N@H+](Cc1ccc(CC(C)C)nc1)C[C@H](C)C#N ZINC000891715563 618255938 /nfs/dbraw/zinc/25/59/38/618255938.db2.gz FBKIGTMJXRDADP-CQSZACIVSA-N 1 2 259.397 3.262 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1C1CC1 ZINC000891937496 618395755 /nfs/dbraw/zinc/39/57/55/618395755.db2.gz KKJJFQFNBRORTD-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1C1CC1 ZINC000891937496 618395765 /nfs/dbraw/zinc/39/57/65/618395765.db2.gz KKJJFQFNBRORTD-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1cccc(C#N)c1O ZINC000926603876 618760904 /nfs/dbraw/zinc/76/09/04/618760904.db2.gz KIRPTROOMLFHFL-SQWLQELKSA-N 1 2 288.391 3.262 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001006909315 618820460 /nfs/dbraw/zinc/82/04/60/618820460.db2.gz UNRUMIQEQVOZHP-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001006909315 618820461 /nfs/dbraw/zinc/82/04/61/618820461.db2.gz UNRUMIQEQVOZHP-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO Oc1ccc(Cl)cc1/C=N/Cc1ccn2cc[nH+]c2c1 ZINC000177694477 618835710 /nfs/dbraw/zinc/83/57/10/618835710.db2.gz BPSONNPBDRPGQG-LICLKQGHSA-N 1 2 285.734 3.312 20 30 CGEDLO C[N@H+](Cc1cnc(Cl)s1)Cc1cccc(C#N)c1 ZINC000094194874 619239137 /nfs/dbraw/zinc/23/91/37/619239137.db2.gz RTXWBMLHGQGQJB-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1cccc(C#N)c1 ZINC000094194874 619239138 /nfs/dbraw/zinc/23/91/38/619239138.db2.gz RTXWBMLHGQGQJB-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894445757 619540056 /nfs/dbraw/zinc/54/00/56/619540056.db2.gz RBDMWDPHXIUDSA-INIZCTEOSA-N 1 2 294.345 3.456 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894445757 619540062 /nfs/dbraw/zinc/54/00/62/619540062.db2.gz RBDMWDPHXIUDSA-INIZCTEOSA-N 1 2 294.345 3.456 20 30 CGEDLO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H](C)C#N ZINC000894453413 619542473 /nfs/dbraw/zinc/54/24/73/619542473.db2.gz UDFWUCZOTARMPS-LBPRGKRZSA-N 1 2 282.391 3.047 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCOCC23CCCCC3)cs1 ZINC000894756195 619623830 /nfs/dbraw/zinc/62/38/30/619623830.db2.gz VYBBFOBEDCVMKN-UHFFFAOYSA-N 1 2 276.405 3.155 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCOCC23CCCCC3)cs1 ZINC000894756195 619623832 /nfs/dbraw/zinc/62/38/32/619623832.db2.gz VYBBFOBEDCVMKN-UHFFFAOYSA-N 1 2 276.405 3.155 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(F)cc1 ZINC000178941174 619702658 /nfs/dbraw/zinc/70/26/58/619702658.db2.gz QKBFSTUKFVBUEN-CMDGGOBGSA-N 1 2 266.275 3.370 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OCC ZINC000895597218 619858139 /nfs/dbraw/zinc/85/81/39/619858139.db2.gz FZLHHHDDFOOMQZ-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO COCc1ccccc1/C=C(\C)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896501467 620017412 /nfs/dbraw/zinc/01/74/12/620017412.db2.gz AKMADJUKAZWGBV-AAGJOFLKSA-N 1 2 284.403 3.472 20 30 CGEDLO COCc1ccccc1/C=C(\C)C[N@H+]1CCC[C@H](C#N)C1 ZINC000896501467 620017415 /nfs/dbraw/zinc/01/74/15/620017415.db2.gz AKMADJUKAZWGBV-AAGJOFLKSA-N 1 2 284.403 3.472 20 30 CGEDLO C=CC1(CC(=O)OCc2ccc(N)[nH+]c2)CCCCC1 ZINC000909551520 620089383 /nfs/dbraw/zinc/08/93/83/620089383.db2.gz SMPPBEIPWJXEBC-UHFFFAOYSA-N 1 2 274.364 3.234 20 30 CGEDLO CN(C)c1cc(CSCC2(C#N)CCC2)cc[nH+]1 ZINC000842180948 620246517 /nfs/dbraw/zinc/24/65/17/620246517.db2.gz UCBWWLXJHHHNMO-UHFFFAOYSA-N 1 2 261.394 3.075 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC000989688130 620520671 /nfs/dbraw/zinc/52/06/71/620520671.db2.gz LKJPMAPPNNDVFG-UHFFFAOYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC000989688130 620520674 /nfs/dbraw/zinc/52/06/74/620520674.db2.gz LKJPMAPPNNDVFG-UHFFFAOYSA-N 1 2 296.842 3.020 20 30 CGEDLO COc1cccc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901418193 620881430 /nfs/dbraw/zinc/88/14/30/620881430.db2.gz ZBKBOLCJZKHEDP-BQYQJAHWSA-N 1 2 270.332 3.369 20 30 CGEDLO CCCc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901437744 620887454 /nfs/dbraw/zinc/88/74/54/620887454.db2.gz CXGJIONCKRUQFI-KTKRTIGZSA-N 1 2 254.333 3.269 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C(C)C)C2 ZINC000901480993 620892349 /nfs/dbraw/zinc/89/23/49/620892349.db2.gz QLFRRLQQKXHIOO-NTUHNPAUSA-N 1 2 282.343 3.295 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2c(c(F)ccc2O)[C@H]1C ZINC000901454761 620893603 /nfs/dbraw/zinc/89/36/03/620893603.db2.gz WPIUJFPFIIPAEC-CAXXOGMASA-N 1 2 286.306 3.131 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/Cc2cc(C)cc(C)c2C1=O ZINC000901529892 620914894 /nfs/dbraw/zinc/91/48/94/620914894.db2.gz GTLICIPLNQINHH-ZSOIEALJSA-N 1 2 266.344 3.342 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(O)c1F ZINC000903109289 621582484 /nfs/dbraw/zinc/58/24/84/621582484.db2.gz MMXAHZGUJFJXHP-NSHDSACASA-N 1 2 262.328 3.266 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCCc3scnc32)CCCC1 ZINC000903108769 621583148 /nfs/dbraw/zinc/58/31/48/621583148.db2.gz GTSKBUIUNNGVRG-LLVKDONJSA-N 1 2 261.394 3.194 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ncn(C)n1)c1cccc(Cl)c1 ZINC000903131980 621587300 /nfs/dbraw/zinc/58/73/00/621587300.db2.gz VGCOWBZAKIEYAD-AWEZNQCLSA-N 1 2 290.798 3.266 20 30 CGEDLO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(C)ccn1 ZINC000903262731 621648035 /nfs/dbraw/zinc/64/80/35/621648035.db2.gz HFYUVEZARYKTTI-CYBMUJFWSA-N 1 2 286.404 3.349 20 30 CGEDLO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cccc(C#N)c1O ZINC000903273887 621658141 /nfs/dbraw/zinc/65/81/41/621658141.db2.gz KGXKRCQLWRJVSI-HLVVYCRESA-N 1 2 288.416 3.341 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccc(C#N)c1O ZINC000903318565 621689805 /nfs/dbraw/zinc/68/98/05/621689805.db2.gz QHYFMOONAMODFW-LWWSYDQCSA-N 1 2 256.349 3.103 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C(=O)OC ZINC000905764775 622108419 /nfs/dbraw/zinc/10/84/19/622108419.db2.gz UAPYBUFBTIYAHP-BPUTZDHNSA-N 1 2 291.366 3.169 20 30 CGEDLO Cc1cc(C)c(C(=O)N(C)Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC000905975552 622130233 /nfs/dbraw/zinc/13/02/33/622130233.db2.gz DKPAGNPMXPBUMB-UHFFFAOYSA-N 1 2 293.370 3.151 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000912387981 622644688 /nfs/dbraw/zinc/64/46/88/622644688.db2.gz IIDQRPQIVTXZQA-HNNXBMFYSA-N 1 2 272.392 3.435 20 30 CGEDLO C[NH+](C)c1ccc(NCc2ccc(C#N)s2)cc1 ZINC000157461851 622905517 /nfs/dbraw/zinc/90/55/17/622905517.db2.gz IHBHJUVMIQASGO-UHFFFAOYSA-N 1 2 257.362 3.298 20 30 CGEDLO COc1cccc(/C=[NH+]\CCc2ccccc2)c1O ZINC000169501650 623035832 /nfs/dbraw/zinc/03/58/32/623035832.db2.gz XJHDCGJRVHHPLF-ATVHPVEESA-N 1 2 255.317 3.062 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000929660755 623499358 /nfs/dbraw/zinc/49/93/58/623499358.db2.gz WRKAPDICEYPCSO-HNNXBMFYSA-N 1 2 297.402 3.150 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993662353 624057055 /nfs/dbraw/zinc/05/70/55/624057055.db2.gz YSNUQHSAKYDGBT-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993662353 624057059 /nfs/dbraw/zinc/05/70/59/624057059.db2.gz YSNUQHSAKYDGBT-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO COc1ccc(CCC/[NH+]=C/c2cc(OC)ccc2O)cc1 ZINC000918154388 624338518 /nfs/dbraw/zinc/33/85/18/624338518.db2.gz LSXSZAPPCIAEMQ-CPNJWEJPSA-N 1 2 299.370 3.461 20 30 CGEDLO C=CC[N@@H+](C)Cn1ccn(-c2ccc(OC)cc2)c1=S ZINC000155017885 624411942 /nfs/dbraw/zinc/41/19/42/624411942.db2.gz KBNURTCSWOXBCC-UHFFFAOYSA-N 1 2 289.404 3.092 20 30 CGEDLO C=CC[N@H+](C)Cn1ccn(-c2ccc(OC)cc2)c1=S ZINC000155017885 624411947 /nfs/dbraw/zinc/41/19/47/624411947.db2.gz KBNURTCSWOXBCC-UHFFFAOYSA-N 1 2 289.404 3.092 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCc2ccccc2OC)c(O)c1 ZINC000920944230 624555919 /nfs/dbraw/zinc/55/59/19/624555919.db2.gz RTPDHSJVNAXYKZ-UYRXBGFRSA-N 1 2 299.370 3.461 20 30 CGEDLO O=C1c2ccc(F)cc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000180314168 624737325 /nfs/dbraw/zinc/73/73/25/624737325.db2.gz AJSZSDRRRIRSGD-ZRDIBKRKSA-N 1 2 278.286 3.296 20 30 CGEDLO C[C@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C#N ZINC000835245781 634412293 /nfs/dbraw/zinc/41/22/93/634412293.db2.gz RHIPVUUHNOMDMI-ZDUSSCGKSA-N 1 2 297.358 3.026 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)cc(Cl)n1 ZINC000320902840 625992204 /nfs/dbraw/zinc/99/22/04/625992204.db2.gz OTYIXWDJZHQWDF-UHFFFAOYSA-N 1 2 265.788 3.415 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)cc(Cl)n1 ZINC000320902840 625992208 /nfs/dbraw/zinc/99/22/08/625992208.db2.gz OTYIXWDJZHQWDF-UHFFFAOYSA-N 1 2 265.788 3.415 20 30 CGEDLO N#CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000929399895 626164479 /nfs/dbraw/zinc/16/44/79/626164479.db2.gz WWLNGMYNWYBMGJ-QGZVFWFLSA-N 1 2 298.361 3.102 20 30 CGEDLO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000929399895 626164483 /nfs/dbraw/zinc/16/44/83/626164483.db2.gz WWLNGMYNWYBMGJ-QGZVFWFLSA-N 1 2 298.361 3.102 20 30 CGEDLO CC(C)c1[nH+]c(C=NO[C@@H]2CCCCO2)c2ccccn21 ZINC000755820608 626650610 /nfs/dbraw/zinc/65/06/10/626650610.db2.gz XDBGMJRSTOIZAJ-OAHLLOKOSA-N 1 2 287.363 3.335 20 30 CGEDLO Cc1ccnc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000755902776 626658356 /nfs/dbraw/zinc/65/83/56/626658356.db2.gz NVGSPIMFWOQXTA-UHFFFAOYSA-N 1 2 293.374 3.186 20 30 CGEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C(C)C ZINC000757821111 626809393 /nfs/dbraw/zinc/80/93/93/626809393.db2.gz WFACTZHUCZNWDQ-UHFFFAOYSA-N 1 2 290.798 3.317 20 30 CGEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C(C)C ZINC000757821111 626809394 /nfs/dbraw/zinc/80/93/94/626809394.db2.gz WFACTZHUCZNWDQ-UHFFFAOYSA-N 1 2 290.798 3.317 20 30 CGEDLO Fc1ccccc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758373242 626840318 /nfs/dbraw/zinc/84/03/18/626840318.db2.gz DTNCHFNLELFEPU-UHFFFAOYSA-N 1 2 284.338 3.267 20 30 CGEDLO COc1ccc(OC)c(CCC/[NH+]=C/c2ccccc2O)c1 ZINC000759036918 626871221 /nfs/dbraw/zinc/87/12/21/626871221.db2.gz TVLSLYZNEDONJH-CPNJWEJPSA-N 1 2 299.370 3.461 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2(CCOC)CCC2)c(O)c1 ZINC000760210361 626944237 /nfs/dbraw/zinc/94/42/37/626944237.db2.gz HLADZUSSLPFPAT-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO C#CCOCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000761107884 627017065 /nfs/dbraw/zinc/01/70/65/627017065.db2.gz JBJLHNFEVHPNEW-UHFFFAOYSA-N 1 2 272.175 3.075 20 30 CGEDLO C#CCOCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000761107884 627017069 /nfs/dbraw/zinc/01/70/69/627017069.db2.gz JBJLHNFEVHPNEW-UHFFFAOYSA-N 1 2 272.175 3.075 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000125069961 634564013 /nfs/dbraw/zinc/56/40/13/634564013.db2.gz SZZUQDXKWLLALC-VIFPVBQESA-N 1 2 288.160 3.394 20 30 CGEDLO FC(F)(F)CN[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000769807871 627579959 /nfs/dbraw/zinc/57/99/59/627579959.db2.gz CCOMPOVMJOWAOB-UHFFFAOYSA-N 1 2 291.342 3.224 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1ncc(COC)s1)c1ccccc1 ZINC000771858517 627736740 /nfs/dbraw/zinc/73/67/40/627736740.db2.gz PTRPBMGRRHAHOZ-OAHLLOKOSA-N 1 2 286.400 3.144 20 30 CGEDLO C#CCC[N@@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000772300115 627782832 /nfs/dbraw/zinc/78/28/32/627782832.db2.gz UELAMDLZMNCJDI-HNNXBMFYSA-N 1 2 293.794 3.289 20 30 CGEDLO C#CCC[N@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000772300115 627782835 /nfs/dbraw/zinc/78/28/35/627782835.db2.gz UELAMDLZMNCJDI-HNNXBMFYSA-N 1 2 293.794 3.289 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@@H]1CCCO1 ZINC000775794505 628137591 /nfs/dbraw/zinc/13/75/91/628137591.db2.gz QYTLILPMLQPRHN-GJZGRUSLSA-N 1 2 290.432 3.071 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1c[nH+]c2cccc(C)n12 ZINC000776191981 628178977 /nfs/dbraw/zinc/17/89/77/628178977.db2.gz KXEKTWRDQWEERP-BQYQJAHWSA-N 1 2 291.354 3.496 20 30 CGEDLO CC1(C#N)CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000779880213 628439819 /nfs/dbraw/zinc/43/98/19/628439819.db2.gz XUOTTYPDPCVKFM-UHFFFAOYSA-N 1 2 286.404 3.195 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccnc(Cl)c1 ZINC000782195446 628623798 /nfs/dbraw/zinc/62/37/98/628623798.db2.gz YHZCNLHWTAIAHE-SNAWJCMRSA-N 1 2 283.718 3.279 20 30 CGEDLO Cc1cc(CO[NH+]=C(N)Cc2ccccc2)ccc1C#N ZINC000783028717 628673799 /nfs/dbraw/zinc/67/37/99/628673799.db2.gz OVWISDBBKGOZBY-UHFFFAOYSA-N 1 2 279.343 3.108 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nc2c(s1)CCCC2 ZINC000783292341 628699240 /nfs/dbraw/zinc/69/92/40/628699240.db2.gz AIFJBWDYMWNDGR-LLVKDONJSA-N 1 2 298.415 3.139 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cscn1 ZINC000783713359 628742538 /nfs/dbraw/zinc/74/25/38/628742538.db2.gz POUJTWMIBOQMJG-OWOJBTEDSA-N 1 2 287.369 3.286 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)c(C(F)(F)F)c1 ZINC000790299644 629200892 /nfs/dbraw/zinc/20/08/92/629200892.db2.gz GNBLQGZEFCWOMX-UHFFFAOYSA-N 1 2 286.232 3.024 20 30 CGEDLO C=CCC[C@@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccccc1 ZINC000792159186 629341431 /nfs/dbraw/zinc/34/14/31/629341431.db2.gz ULSRSFFRLNAMIZ-MRXNPFEDSA-N 1 2 296.370 3.457 20 30 CGEDLO C#CC[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125593140 634733346 /nfs/dbraw/zinc/73/33/46/634733346.db2.gz DWBFRNGWIWTZCK-CYBMUJFWSA-N 1 2 279.815 3.271 20 30 CGEDLO C#CC[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000125593140 634733353 /nfs/dbraw/zinc/73/33/53/634733353.db2.gz DWBFRNGWIWTZCK-CYBMUJFWSA-N 1 2 279.815 3.271 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C2/CCc3ccccc3C2=O)s1 ZINC000794689794 629567507 /nfs/dbraw/zinc/56/75/07/629567507.db2.gz DXXWTSGDLVRJJB-LCYFTJDESA-N 1 2 298.411 3.417 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C2\CCCC(C)(C)C2=O)s1 ZINC000794703165 629569322 /nfs/dbraw/zinc/56/93/22/629569322.db2.gz SVUAZHCPVLQEPC-DHZHZOJOSA-N 1 2 278.421 3.367 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000797529074 629955594 /nfs/dbraw/zinc/95/55/94/629955594.db2.gz GRLBIXZGBCQABJ-NSHDSACASA-N 1 2 256.187 3.163 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000797529074 629955600 /nfs/dbraw/zinc/95/56/00/629955600.db2.gz GRLBIXZGBCQABJ-NSHDSACASA-N 1 2 256.187 3.163 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC=C(Br)C2)ccc1C#N ZINC000799327126 630166529 /nfs/dbraw/zinc/16/65/29/630166529.db2.gz JUQUCSMRUCHNRR-UHFFFAOYSA-N 1 2 291.192 3.351 20 30 CGEDLO Cc1cc(C[N@H+]2CCC=C(Br)C2)ccc1C#N ZINC000799327126 630166532 /nfs/dbraw/zinc/16/65/32/630166532.db2.gz JUQUCSMRUCHNRR-UHFFFAOYSA-N 1 2 291.192 3.351 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCc2ccc3[nH]ccc3c2)c1O ZINC000799742969 630230296 /nfs/dbraw/zinc/23/02/96/630230296.db2.gz PWVAHDYORCEXDC-WOJGMQOQSA-N 1 2 280.327 3.241 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)oc1C ZINC000799895711 630241128 /nfs/dbraw/zinc/24/11/28/630241128.db2.gz CWGVTLCOVCOEIR-VOTSOKGWSA-N 1 2 266.300 3.440 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)CCC1(C)C ZINC000808139611 630624742 /nfs/dbraw/zinc/62/47/42/630624742.db2.gz JVUVXZCMHUEPDP-UHFFFAOYSA-N 1 2 272.392 3.033 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)CCC1(C)C ZINC000808139611 630624744 /nfs/dbraw/zinc/62/47/44/630624744.db2.gz JVUVXZCMHUEPDP-UHFFFAOYSA-N 1 2 272.392 3.033 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876532215 634852324 /nfs/dbraw/zinc/85/23/24/634852324.db2.gz ZQHQFQUFOIXWJN-CQSZACIVSA-N 1 2 294.402 3.003 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876532215 634852327 /nfs/dbraw/zinc/85/23/27/634852327.db2.gz ZQHQFQUFOIXWJN-CQSZACIVSA-N 1 2 294.402 3.003 20 30 CGEDLO NC(=[NH+]OC1CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000814265750 631565499 /nfs/dbraw/zinc/56/54/99/631565499.db2.gz XFEZRDKUUOKYIU-UHFFFAOYSA-N 1 2 296.370 3.455 20 30 CGEDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)C#N ZINC000816632699 632028103 /nfs/dbraw/zinc/02/81/03/632028103.db2.gz VDXWUPSYANOSEQ-UHFFFAOYSA-N 1 2 281.743 3.230 20 30 CGEDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)(C)C#N ZINC000816632699 632028106 /nfs/dbraw/zinc/02/81/06/632028106.db2.gz VDXWUPSYANOSEQ-UHFFFAOYSA-N 1 2 281.743 3.230 20 30 CGEDLO C=CC[C@@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccncc1 ZINC000817407662 632139356 /nfs/dbraw/zinc/13/93/56/632139356.db2.gz XNUKQFUMALRZTH-CYBMUJFWSA-N 1 2 290.798 3.184 20 30 CGEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866282970 633064913 /nfs/dbraw/zinc/06/49/13/633064913.db2.gz SYWNFAOSWJFYHU-OLZOCXBDSA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866307128 633074649 /nfs/dbraw/zinc/07/46/49/633074649.db2.gz RKADTUVDIJTHNT-CMPLNLGQSA-N 1 2 280.318 3.492 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cccc(C#N)c1O ZINC000866336906 633085157 /nfs/dbraw/zinc/08/51/57/633085157.db2.gz SQLUUOATIMQYPE-DGCLKSJQSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866393808 633120465 /nfs/dbraw/zinc/12/04/65/633120465.db2.gz SDZQUBGPJXSSTQ-ONGXEEELSA-N 1 2 299.201 3.498 20 30 CGEDLO C=CC(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824790254 633290910 /nfs/dbraw/zinc/29/09/10/633290910.db2.gz PMZNOAZXDGTOKB-UHFFFAOYSA-N 1 2 257.736 3.487 20 30 CGEDLO C#CC[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccccc1 ZINC000825893360 633387141 /nfs/dbraw/zinc/38/71/41/633387141.db2.gz XEDMTXDBIMGVGL-UHFFFAOYSA-N 1 2 293.414 3.323 20 30 CGEDLO C#CC[N@H+](Cc1c(C2CCC2)cnn1C)Cc1ccccc1 ZINC000825893360 633387147 /nfs/dbraw/zinc/38/71/47/633387147.db2.gz XEDMTXDBIMGVGL-UHFFFAOYSA-N 1 2 293.414 3.323 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1 ZINC000827786258 633517277 /nfs/dbraw/zinc/51/72/77/633517277.db2.gz HSPPSLSSRSVMAV-SWLSCSKDSA-N 1 2 297.320 3.210 20 30 CGEDLO C#Cc1ccc(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1 ZINC000827786258 633517280 /nfs/dbraw/zinc/51/72/80/633517280.db2.gz HSPPSLSSRSVMAV-SWLSCSKDSA-N 1 2 297.320 3.210 20 30 CGEDLO C=CC(C)(C)CCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000872100822 634022823 /nfs/dbraw/zinc/02/28/23/634022823.db2.gz KFBBSUPZFZVPAM-OAHLLOKOSA-N 1 2 284.407 3.476 20 30 CGEDLO C=CCCc1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182770 634081139 /nfs/dbraw/zinc/08/11/39/634081139.db2.gz QGHPEMHVFUUJKJ-GFCCVEGCSA-N 1 2 297.280 3.255 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000834894880 634272305 /nfs/dbraw/zinc/27/23/05/634272305.db2.gz VUNACUONYKEYLV-FZZIBODNSA-N 1 2 283.318 3.055 20 30 CGEDLO CN(C)c1[nH+]ccc2cc(NC(=O)C#CC(C)(C)C)ccc21 ZINC000837677422 634963748 /nfs/dbraw/zinc/96/37/48/634963748.db2.gz TYUBCWWMSWPAIF-UHFFFAOYSA-N 1 2 295.386 3.289 20 30 CGEDLO Cc1ccc(Br)c(F)c1C[NH2+]C[C@H](C)C#N ZINC000877320937 635025466 /nfs/dbraw/zinc/02/54/66/635025466.db2.gz BQQRRMLFSBHNFO-MRVPVSSYSA-N 1 2 285.160 3.146 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000877322736 635026887 /nfs/dbraw/zinc/02/68/87/635026887.db2.gz CQVCNWUQZUWCJV-UHFFFAOYSA-N 1 2 272.270 3.066 20 30 CGEDLO Cc1ccc2c(c1)S/C(=C\c1c[nH+]c(N(C)C)n1C)C2=O ZINC000841487507 635185290 /nfs/dbraw/zinc/18/52/90/635185290.db2.gz WHQWHVZNBKTBAN-ZSOIEALJSA-N 1 2 299.399 3.124 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188287 635404319 /nfs/dbraw/zinc/40/43/19/635404319.db2.gz GZPHKSALOWUXBC-TVQRCGJNSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188287 635404327 /nfs/dbraw/zinc/40/43/27/635404327.db2.gz GZPHKSALOWUXBC-TVQRCGJNSA-N 1 2 287.190 3.261 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccccc1 ZINC000878363141 635475138 /nfs/dbraw/zinc/47/51/38/635475138.db2.gz SELCEIPFCPLELP-HNNXBMFYSA-N 1 2 280.371 3.408 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncccc1Br ZINC000878524438 635542616 /nfs/dbraw/zinc/54/26/16/635542616.db2.gz PFVCDBSNFARUDJ-LLVKDONJSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncccc1Br ZINC000878524438 635542629 /nfs/dbraw/zinc/54/26/29/635542629.db2.gz PFVCDBSNFARUDJ-LLVKDONJSA-N 1 2 281.197 3.385 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)nn1 ZINC000880537407 636016888 /nfs/dbraw/zinc/01/68/88/636016888.db2.gz DOTUISBYUNMJDY-KSSFIOAISA-N 1 2 294.402 3.289 20 30 CGEDLO C=CCCn1cc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)nn1 ZINC000880537407 636016896 /nfs/dbraw/zinc/01/68/96/636016896.db2.gz DOTUISBYUNMJDY-KSSFIOAISA-N 1 2 294.402 3.289 20 30 CGEDLO CC[C@H]1CCC[C@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848416955 636571399 /nfs/dbraw/zinc/57/13/99/636571399.db2.gz FQBOJOGOSVVYLG-GJZGRUSLSA-N 1 2 262.401 3.065 20 30 CGEDLO CC[C@H]1CCC[C@@H](CN=NCCCn2cc[nH+]c2)C1 ZINC000848416957 636571705 /nfs/dbraw/zinc/57/17/05/636571705.db2.gz FQBOJOGOSVVYLG-LSDHHAIUSA-N 1 2 262.401 3.065 20 30 CGEDLO Cc1c[nH+]c(CCNc2snc(Cl)c2C#N)c(C)c1 ZINC000848755874 636652450 /nfs/dbraw/zinc/65/24/50/636652450.db2.gz JGAMWDMQVOMBGQ-UHFFFAOYSA-N 1 2 292.795 3.335 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H]1CCCOC1 ZINC000883352722 636695014 /nfs/dbraw/zinc/69/50/14/636695014.db2.gz GVWMXKWSPMUKPL-BJJXKVORSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)o1 ZINC000848925312 636697047 /nfs/dbraw/zinc/69/70/47/636697047.db2.gz BALCOAPIJFLEBT-UHFFFAOYSA-N 1 2 252.317 3.284 20 30 CGEDLO Cc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(C)o1 ZINC000848925312 636697053 /nfs/dbraw/zinc/69/70/53/636697053.db2.gz BALCOAPIJFLEBT-UHFFFAOYSA-N 1 2 252.317 3.284 20 30 CGEDLO C#Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c(Cl)c1 ZINC000885670077 637280728 /nfs/dbraw/zinc/28/07/28/637280728.db2.gz RVMMWYOQZZBPNJ-AWEZNQCLSA-N 1 2 290.794 3.133 20 30 CGEDLO C#Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c(Cl)c1 ZINC000885670077 637280739 /nfs/dbraw/zinc/28/07/39/637280739.db2.gz RVMMWYOQZZBPNJ-AWEZNQCLSA-N 1 2 290.794 3.133 20 30 CGEDLO C=C[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000851452790 637398969 /nfs/dbraw/zinc/39/89/69/637398969.db2.gz WHVJGAXXSIAKBC-MRXNPFEDSA-N 1 2 296.370 3.232 20 30 CGEDLO C#CC[C@@H]1CC[N@@H+](Cc2nc(C)c(Br)s2)C1 ZINC000886367147 637516185 /nfs/dbraw/zinc/51/61/85/637516185.db2.gz LVWBQUSMPZXQGW-SNVBAGLBSA-N 1 2 299.237 3.059 20 30 CGEDLO C#CC[C@@H]1CC[N@H+](Cc2nc(C)c(Br)s2)C1 ZINC000886367147 637516188 /nfs/dbraw/zinc/51/61/88/637516188.db2.gz LVWBQUSMPZXQGW-SNVBAGLBSA-N 1 2 299.237 3.059 20 30 CGEDLO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000886433324 637530468 /nfs/dbraw/zinc/53/04/68/637530468.db2.gz GQAHQICFLXXJEE-GOSISDBHSA-N 1 2 298.361 3.171 20 30 CGEDLO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000886433324 637530476 /nfs/dbraw/zinc/53/04/76/637530476.db2.gz GQAHQICFLXXJEE-GOSISDBHSA-N 1 2 298.361 3.171 20 30 CGEDLO N#Cc1ccc(CC[N@@H+](CC(F)F)C2CCC2)cc1 ZINC000887102310 637747300 /nfs/dbraw/zinc/74/73/00/637747300.db2.gz LFCHRVICXLPSOZ-UHFFFAOYSA-N 1 2 264.319 3.220 20 30 CGEDLO N#Cc1ccc(CC[N@H+](CC(F)F)C2CCC2)cc1 ZINC000887102310 637747304 /nfs/dbraw/zinc/74/73/04/637747304.db2.gz LFCHRVICXLPSOZ-UHFFFAOYSA-N 1 2 264.319 3.220 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCOC(C)(C)C ZINC000853240781 637790860 /nfs/dbraw/zinc/79/08/60/637790860.db2.gz MAEDIZRGKKCMBQ-UHFFFAOYSA-N 1 2 276.380 3.101 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000853523166 637861619 /nfs/dbraw/zinc/86/16/19/637861619.db2.gz AYHSWLNSVRVJKM-LBPRGKRZSA-N 1 2 288.782 3.273 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000853523166 637861623 /nfs/dbraw/zinc/86/16/23/637861623.db2.gz AYHSWLNSVRVJKM-LBPRGKRZSA-N 1 2 288.782 3.273 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000853952798 637962503 /nfs/dbraw/zinc/96/25/03/637962503.db2.gz KKGWNOQQTGLNCF-BETUJISGSA-N 1 2 297.406 3.269 20 30 CGEDLO COc1ccc(C)cc1CC/[NH+]=C/c1ccccc1O ZINC000005111205 638231981 /nfs/dbraw/zinc/23/19/81/638231981.db2.gz GCFMVSJFRLXXSE-LDADJPATSA-N 1 2 269.344 3.371 20 30 CGEDLO CC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(C#N)c1O ZINC000924550066 638360609 /nfs/dbraw/zinc/36/06/09/638360609.db2.gz HQCZZHZMBIXPKG-IRXDYDNUSA-N 1 2 296.370 3.038 20 30 CGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000925412744 638499590 /nfs/dbraw/zinc/49/95/90/638499590.db2.gz CHENTIFUGGESSM-GXTWGEPZSA-N 1 2 285.347 3.206 20 30 CGEDLO CC[C@@H]([NH2+]CCCCF)c1cccc(C#N)c1O ZINC000926462631 638774076 /nfs/dbraw/zinc/77/40/76/638774076.db2.gz AFXQNSPRSFQBCC-CYBMUJFWSA-N 1 2 250.317 3.054 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](CO)C[C@@H](C)CC)c1cccc(C#N)c1O ZINC000926634577 638792941 /nfs/dbraw/zinc/79/29/41/638792941.db2.gz JUFCVJYVDYQNNO-JGGQBBKZSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc(C#N)c1O ZINC000926702306 638800764 /nfs/dbraw/zinc/80/07/64/638800764.db2.gz AYHKKKJAGSEPMT-INWMFGNUSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2)o1 ZINC000930693738 639054122 /nfs/dbraw/zinc/05/41/22/639054122.db2.gz SSVNKHANTKXERS-CYBMUJFWSA-N 1 2 255.321 3.123 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)Cc2c[nH]nc21 ZINC000931460370 639153685 /nfs/dbraw/zinc/15/36/85/639153685.db2.gz XFAZLWMJAMBVCB-GFCCVEGCSA-N 1 2 285.778 3.034 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2c[nH]nc21 ZINC000931460370 639153690 /nfs/dbraw/zinc/15/36/90/639153690.db2.gz XFAZLWMJAMBVCB-GFCCVEGCSA-N 1 2 285.778 3.034 20 30 CGEDLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000932151420 639276466 /nfs/dbraw/zinc/27/64/66/639276466.db2.gz ISQUKQRTIINIIJ-AWEZNQCLSA-N 1 2 294.402 3.036 20 30 CGEDLO CN(C)c1ncc(C[N@H+]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000932151420 639276469 /nfs/dbraw/zinc/27/64/69/639276469.db2.gz ISQUKQRTIINIIJ-AWEZNQCLSA-N 1 2 294.402 3.036 20 30 CGEDLO CSc1ccc(OCC[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932156984 639277939 /nfs/dbraw/zinc/27/79/39/639277939.db2.gz VDVPMWPGZPFEDR-ZDUSSCGKSA-N 1 2 276.405 3.023 20 30 CGEDLO CSc1ccc(OCC[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932156984 639277943 /nfs/dbraw/zinc/27/79/43/639277943.db2.gz VDVPMWPGZPFEDR-ZDUSSCGKSA-N 1 2 276.405 3.023 20 30 CGEDLO Clc1ccc(C#CC[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000932353407 639319727 /nfs/dbraw/zinc/31/97/27/639319727.db2.gz LYYWUATYNGAUBQ-MRXNPFEDSA-N 1 2 297.789 3.222 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836026 639686710 /nfs/dbraw/zinc/68/67/10/639686710.db2.gz YITLXJMBBUVDAX-FGTMMUONSA-N 1 2 284.403 3.390 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836026 639686721 /nfs/dbraw/zinc/68/67/21/639686721.db2.gz YITLXJMBBUVDAX-FGTMMUONSA-N 1 2 284.403 3.390 20 30 CGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1)c1cccc(C#N)c1 ZINC000190090677 640223789 /nfs/dbraw/zinc/22/37/89/640223789.db2.gz FYIUINRJMZAFQH-ZDUSSCGKSA-N 1 2 279.343 3.151 20 30 CGEDLO N#CCC[N@H+](CCc1cccs1)Cc1ccccn1 ZINC000081212565 640525876 /nfs/dbraw/zinc/52/58/76/640525876.db2.gz AFSJUFOJLBABRW-UHFFFAOYSA-N 1 2 271.389 3.101 20 30 CGEDLO N#CCC[N@@H+](CCc1cccs1)Cc1ccccn1 ZINC000081212565 640525882 /nfs/dbraw/zinc/52/58/82/640525882.db2.gz AFSJUFOJLBABRW-UHFFFAOYSA-N 1 2 271.389 3.101 20 30 CGEDLO C#CCCCCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194997167 640562595 /nfs/dbraw/zinc/56/25/95/640562595.db2.gz ZRJJBSGMDSHARZ-INIZCTEOSA-N 1 2 273.376 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007398445 640942914 /nfs/dbraw/zinc/94/29/14/640942914.db2.gz COCFGNDVHWTBJL-GDBMZVCRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007398445 640942920 /nfs/dbraw/zinc/94/29/20/640942920.db2.gz COCFGNDVHWTBJL-GDBMZVCRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014920461 640977120 /nfs/dbraw/zinc/97/71/20/640977120.db2.gz RCULRDZKJSXFST-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014920461 640977121 /nfs/dbraw/zinc/97/71/21/640977121.db2.gz RCULRDZKJSXFST-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@H](C#N)C2)cc2c1NC(C)(C)C=C2 ZINC001250485405 805646579 /nfs/dbraw/zinc/64/65/79/805646579.db2.gz SCJBUTPPEAYSPG-CYBMUJFWSA-N 1 2 297.402 3.258 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@H](C#N)C2)cc2c1NC(C)(C)C=C2 ZINC001250485405 805646583 /nfs/dbraw/zinc/64/65/83/805646583.db2.gz SCJBUTPPEAYSPG-CYBMUJFWSA-N 1 2 297.402 3.258 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H]2CCCC(F)(F)C2)c1 ZINC001158336202 805940493 /nfs/dbraw/zinc/94/04/93/805940493.db2.gz RFHLTGWNCZXBFA-NSHDSACASA-N 1 2 251.280 3.137 20 30 CGEDLO CCCCCCCC[C@H](O)CNc1[nH+]c[nH]c1C ZINC001252123511 806010290 /nfs/dbraw/zinc/01/02/90/806010290.db2.gz HZPAPIJTQJUQDV-ZDUSSCGKSA-N 1 2 253.390 3.242 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001252132204 806017512 /nfs/dbraw/zinc/01/75/12/806017512.db2.gz CAGKBPONHCDWDN-HNNXBMFYSA-N 1 2 294.439 3.453 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001252132204 806017522 /nfs/dbraw/zinc/01/75/22/806017522.db2.gz CAGKBPONHCDWDN-HNNXBMFYSA-N 1 2 294.439 3.453 20 30 CGEDLO C=CCC[C@H](O)C[NH2+][C@@H](CCC(C)C)C(=O)OC(C)(C)C ZINC001252617761 806090383 /nfs/dbraw/zinc/09/03/83/806090383.db2.gz KCLQZXGFZOCYHH-GJZGRUSLSA-N 1 2 299.455 3.050 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001253234405 806188429 /nfs/dbraw/zinc/18/84/29/806188429.db2.gz ARFSGHGKNOTCSN-OAHLLOKOSA-N 1 2 299.455 3.147 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001253234405 806188431 /nfs/dbraw/zinc/18/84/31/806188431.db2.gz ARFSGHGKNOTCSN-OAHLLOKOSA-N 1 2 299.455 3.147 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC001253240260 806190759 /nfs/dbraw/zinc/19/07/59/806190759.db2.gz IESVHOAFDNEKRD-OAHLLOKOSA-N 1 2 282.453 3.462 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC001253240260 806190764 /nfs/dbraw/zinc/19/07/64/806190764.db2.gz IESVHOAFDNEKRD-OAHLLOKOSA-N 1 2 282.453 3.462 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001253246779 806194338 /nfs/dbraw/zinc/19/43/38/806194338.db2.gz CKTOQZSOHJJOTQ-HOTGVXAUSA-N 1 2 299.455 3.051 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3ncccc3C#N)c[nH+]c12 ZINC001160682298 806294427 /nfs/dbraw/zinc/29/44/27/806294427.db2.gz CWNMDOZCWKAVST-LBPRGKRZSA-N 1 2 277.331 3.083 20 30 CGEDLO Cc1noc2ccc(CNc3cc(CC#N)cc[nH+]3)cc12 ZINC001160867142 806313984 /nfs/dbraw/zinc/31/39/84/806313984.db2.gz GNMGKUXDHYRGKJ-UHFFFAOYSA-N 1 2 278.315 3.209 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2nccc(Cl)c2Cl)c1 ZINC001160931000 806323083 /nfs/dbraw/zinc/32/30/83/806323083.db2.gz RTNFADLAZGCFLH-UHFFFAOYSA-N 1 2 293.157 3.462 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC001255159772 806558504 /nfs/dbraw/zinc/55/85/04/806558504.db2.gz BOXNAJAPGGZBMM-JQWIXIFHSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCOc2c(F)cc(F)cc21 ZINC001255163359 806561130 /nfs/dbraw/zinc/56/11/30/806561130.db2.gz FVRVRLBVMJWCGU-MFKMUULPSA-N 1 2 266.291 3.070 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001255171957 806565528 /nfs/dbraw/zinc/56/55/28/806565528.db2.gz FYQNZVHQBSSTJM-HUUCEWRRSA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC001255171957 806565534 /nfs/dbraw/zinc/56/55/34/806565534.db2.gz FYQNZVHQBSSTJM-HUUCEWRRSA-N 1 2 288.391 3.231 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001255172959 806566675 /nfs/dbraw/zinc/56/66/75/806566675.db2.gz HGEXKIGMFCSYHP-HUUCEWRRSA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001255172959 806566679 /nfs/dbraw/zinc/56/66/79/806566679.db2.gz HGEXKIGMFCSYHP-HUUCEWRRSA-N 1 2 260.406 3.469 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CCCCCCCCC)CC1 ZINC000162680708 799081439 /nfs/dbraw/zinc/08/14/39/799081439.db2.gz OTFYLLLQNRLPBS-UHFFFAOYSA-N 1 2 280.456 3.457 20 30 CGEDLO Cc1cc(N[C@H](C)c2cc(C#N)ccn2)c[nH+]c1C ZINC000903087356 800594025 /nfs/dbraw/zinc/59/40/25/800594025.db2.gz GDXQNDOPDUWQEB-GFCCVEGCSA-N 1 2 252.321 3.138 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032943882 800946275 /nfs/dbraw/zinc/94/62/75/800946275.db2.gz VNDYVVBPOKLYCQ-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032943882 800946280 /nfs/dbraw/zinc/94/62/80/800946280.db2.gz VNDYVVBPOKLYCQ-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753316 800982887 /nfs/dbraw/zinc/98/28/87/800982887.db2.gz PHIKTLUQTQNUJG-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753316 800982890 /nfs/dbraw/zinc/98/28/90/800982890.db2.gz PHIKTLUQTQNUJG-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO N#CCc1ccc[nH+]c1NCc1cnc2ccccc2c1 ZINC001164200349 806914935 /nfs/dbraw/zinc/91/49/35/806914935.db2.gz JZQIFJLTWFVBHY-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079484197 801644819 /nfs/dbraw/zinc/64/48/19/801644819.db2.gz DAEVDDFGTBXKLJ-IUODEOHRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079484197 801644823 /nfs/dbraw/zinc/64/48/23/801644823.db2.gz DAEVDDFGTBXKLJ-IUODEOHRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970708 801812915 /nfs/dbraw/zinc/81/29/15/801812915.db2.gz LMFIKJBCLNNWHT-NFAWXSAZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970708 801812919 /nfs/dbraw/zinc/81/29/19/801812919.db2.gz LMFIKJBCLNNWHT-NFAWXSAZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611269 802119766 /nfs/dbraw/zinc/11/97/66/802119766.db2.gz BLIPUJKMWHHRQW-ILXRZTDVSA-N 1 2 296.842 3.207 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611269 802119771 /nfs/dbraw/zinc/11/97/71/802119771.db2.gz BLIPUJKMWHHRQW-ILXRZTDVSA-N 1 2 296.842 3.207 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001110598250 802144842 /nfs/dbraw/zinc/14/48/42/802144842.db2.gz XZGFQPCYDVVFHN-MCIONIFRSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001110598250 802144848 /nfs/dbraw/zinc/14/48/48/802144848.db2.gz XZGFQPCYDVVFHN-MCIONIFRSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCC)C2 ZINC001111194308 802156765 /nfs/dbraw/zinc/15/67/65/802156765.db2.gz XMJHZQMEFJQMEU-TUVASFSCSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCC)C2 ZINC001111194308 802156770 /nfs/dbraw/zinc/15/67/70/802156770.db2.gz XMJHZQMEFJQMEU-TUVASFSCSA-N 1 2 298.858 3.287 20 30 CGEDLO C=CCC[C@H](C(=O)N1CC[NH+](CC=C)CC1)c1ccccc1 ZINC001113743341 802232615 /nfs/dbraw/zinc/23/26/15/802232615.db2.gz HRZDXVFGTUNWGA-SFHVURJKSA-N 1 2 298.430 3.067 20 30 CGEDLO CN(C)c1ncccc1C=[NH+]Nc1ccccc1Cl ZINC001117526580 802469979 /nfs/dbraw/zinc/46/99/79/802469979.db2.gz QAWLGJMJMQRRSF-UHFFFAOYSA-N 1 2 274.755 3.247 20 30 CGEDLO Cc1nnn([NH+]=C[C@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC001119298194 802644542 /nfs/dbraw/zinc/64/45/42/802644542.db2.gz ABHYFZALSATNJH-QWRGUYRKSA-N 1 2 274.290 3.098 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCc1[nH+]ccn1C ZINC001123872149 802978101 /nfs/dbraw/zinc/97/81/01/802978101.db2.gz GAMDRCKMYSJRBG-UHFFFAOYSA-N 1 2 283.375 3.110 20 30 CGEDLO C=CC(C)(C)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125339497 803058263 /nfs/dbraw/zinc/05/82/63/803058263.db2.gz BCKNMEHNYVVFJV-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO N#Cc1cc(-c2ccccc2Cn2cc[nH+]c2)ccc1N ZINC001244114499 803193593 /nfs/dbraw/zinc/19/35/93/803193593.db2.gz CVHKVPAZRMHESL-UHFFFAOYSA-N 1 2 274.327 3.052 20 30 CGEDLO N#Cc1ccc(-c2cc(-n3ccnc3)cc[nH+]2)c(Cl)c1 ZINC001244329085 803307717 /nfs/dbraw/zinc/30/77/17/803307717.db2.gz ZIJRQXGKTJOFSP-UHFFFAOYSA-N 1 2 280.718 3.459 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131824858 803348064 /nfs/dbraw/zinc/34/80/64/803348064.db2.gz DPJSTRBNHCDNGT-UONOGXRCSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131824858 803348070 /nfs/dbraw/zinc/34/80/70/803348070.db2.gz DPJSTRBNHCDNGT-UONOGXRCSA-N 1 2 286.847 3.288 20 30 CGEDLO CCCCCCc1csc(CN2CC[NH2+]C[C@H]2C#N)c1 ZINC001210196501 814332587 /nfs/dbraw/zinc/33/25/87/814332587.db2.gz OBJLKABNWUBZRI-OAHLLOKOSA-N 1 2 291.464 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132225494 803382118 /nfs/dbraw/zinc/38/21/18/803382118.db2.gz XWPSHKAZZUOIJR-CABCVRRESA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132225494 803382122 /nfs/dbraw/zinc/38/21/22/803382122.db2.gz XWPSHKAZZUOIJR-CABCVRRESA-N 1 2 298.858 3.454 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132325940 803395413 /nfs/dbraw/zinc/39/54/13/803395413.db2.gz AKUPYNOUVNDGOS-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132325940 803395418 /nfs/dbraw/zinc/39/54/18/803395418.db2.gz AKUPYNOUVNDGOS-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C1CCC(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001133547185 803487242 /nfs/dbraw/zinc/48/72/42/803487242.db2.gz JRHWWGBPOQUBDR-UHFFFAOYSA-N 1 2 272.392 3.483 20 30 CGEDLO CNc1cc(-c2ccc3cc(C#N)cnc3c2)cc[nH+]1 ZINC001244977828 803601280 /nfs/dbraw/zinc/60/12/80/803601280.db2.gz YKZAJCVVXOZHQZ-UHFFFAOYSA-N 1 2 260.300 3.210 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057909 803677234 /nfs/dbraw/zinc/67/72/34/803677234.db2.gz WEPDIQXCVIRENU-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057909 803677240 /nfs/dbraw/zinc/67/72/40/803677240.db2.gz WEPDIQXCVIRENU-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC001137597367 803744031 /nfs/dbraw/zinc/74/40/31/803744031.db2.gz ZEEMENNPNNSNFQ-MRXNPFEDSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC001137597367 803744035 /nfs/dbraw/zinc/74/40/35/803744035.db2.gz ZEEMENNPNNSNFQ-MRXNPFEDSA-N 1 2 299.399 3.058 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138546140 803964477 /nfs/dbraw/zinc/96/44/77/803964477.db2.gz FDTFTAVTNVCSBM-UHFFFAOYSA-N 1 2 287.407 3.240 20 30 CGEDLO C=CCc1cccc(C[N@@H+]2Cc3ccncc3C2)c1O ZINC001138628094 803986596 /nfs/dbraw/zinc/98/65/96/803986596.db2.gz NCTPBWLDLCOZKH-UHFFFAOYSA-N 1 2 266.344 3.032 20 30 CGEDLO C=CCc1cccc(C[N@H+]2Cc3ccncc3C2)c1O ZINC001138628094 803986604 /nfs/dbraw/zinc/98/66/04/803986604.db2.gz NCTPBWLDLCOZKH-UHFFFAOYSA-N 1 2 266.344 3.032 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cc(C)nn1C ZINC001138664660 803996970 /nfs/dbraw/zinc/99/69/70/803996970.db2.gz UFWGATOIEBJHGI-UHFFFAOYSA-N 1 2 299.418 3.315 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1cc(C)nn1C ZINC001138664660 803996977 /nfs/dbraw/zinc/99/69/77/803996977.db2.gz UFWGATOIEBJHGI-UHFFFAOYSA-N 1 2 299.418 3.315 20 30 CGEDLO COc1cc(Cl)cc(C[NH+]2CCC(C#N)CC2)c1OC ZINC001138743688 804026841 /nfs/dbraw/zinc/02/68/41/804026841.db2.gz CWFCTPLKKJKLNN-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139526973 804200932 /nfs/dbraw/zinc/20/09/32/804200932.db2.gz RAYJWCXZNPSJQX-UHFFFAOYSA-N 1 2 291.329 3.127 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139526973 804200941 /nfs/dbraw/zinc/20/09/41/804200941.db2.gz RAYJWCXZNPSJQX-UHFFFAOYSA-N 1 2 291.329 3.127 20 30 CGEDLO CCCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691361 804255713 /nfs/dbraw/zinc/25/57/13/804255713.db2.gz VYGJXWOUZQHQHP-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691361 804255719 /nfs/dbraw/zinc/25/57/19/804255719.db2.gz VYGJXWOUZQHQHP-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691362 804256535 /nfs/dbraw/zinc/25/65/35/804256535.db2.gz VYGJXWOUZQHQHP-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691362 804256542 /nfs/dbraw/zinc/25/65/42/804256542.db2.gz VYGJXWOUZQHQHP-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC001140826759 804530555 /nfs/dbraw/zinc/53/05/55/804530555.db2.gz PWUAIHCWSOSGGI-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC001140826759 804530559 /nfs/dbraw/zinc/53/05/59/804530559.db2.gz PWUAIHCWSOSGGI-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001143412253 804850475 /nfs/dbraw/zinc/85/04/75/804850475.db2.gz NQSNAJOJEBLRGB-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143412253 804850480 /nfs/dbraw/zinc/85/04/80/804850480.db2.gz NQSNAJOJEBLRGB-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143435658 804851662 /nfs/dbraw/zinc/85/16/62/804851662.db2.gz FOOUDSRTARREAY-UHFFFAOYSA-N 1 2 288.244 3.070 20 30 CGEDLO C[N@H+](CCc1ccccn1)Cc1c(Cl)cccc1C#N ZINC001143716922 804886966 /nfs/dbraw/zinc/88/69/66/804886966.db2.gz ZVOLNAYMGSTAKA-UHFFFAOYSA-N 1 2 285.778 3.281 20 30 CGEDLO C[N@@H+](CCc1ccccn1)Cc1c(Cl)cccc1C#N ZINC001143716922 804886974 /nfs/dbraw/zinc/88/69/74/804886974.db2.gz ZVOLNAYMGSTAKA-UHFFFAOYSA-N 1 2 285.778 3.281 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143812780 804897699 /nfs/dbraw/zinc/89/76/99/804897699.db2.gz ZHWPVKDRAMUXQL-UHFFFAOYSA-N 1 2 285.696 3.427 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143978088 804917988 /nfs/dbraw/zinc/91/79/88/804917988.db2.gz OGCHYTBESKHTCA-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143978088 804917992 /nfs/dbraw/zinc/91/79/92/804917992.db2.gz OGCHYTBESKHTCA-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+](C)CC(=O)c1ccccc1 ZINC001248752203 804984046 /nfs/dbraw/zinc/98/40/46/804984046.db2.gz BNIHXVLFIVZWIQ-UHFFFAOYSA-N 1 2 292.382 3.435 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+](C)CC(=O)c1ccccc1 ZINC001248752203 804984048 /nfs/dbraw/zinc/98/40/48/804984048.db2.gz BNIHXVLFIVZWIQ-UHFFFAOYSA-N 1 2 292.382 3.435 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817701 805004227 /nfs/dbraw/zinc/00/42/27/805004227.db2.gz HBJPIWIJSMZCHD-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817701 805004238 /nfs/dbraw/zinc/00/42/38/805004238.db2.gz HBJPIWIJSMZCHD-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO CCCCCCC[N@H+](C)Cc1nc(C(=O)OC)cs1 ZINC001249474568 805156124 /nfs/dbraw/zinc/15/61/24/805156124.db2.gz ZJAGJDGQLYOEGM-UHFFFAOYSA-N 1 2 284.425 3.332 20 30 CGEDLO CCCCCCC[N@@H+](C)Cc1nc(C(=O)OC)cs1 ZINC001249474568 805156126 /nfs/dbraw/zinc/15/61/26/805156126.db2.gz ZJAGJDGQLYOEGM-UHFFFAOYSA-N 1 2 284.425 3.332 20 30 CGEDLO C#Cc1cc(Nc2ccc(Cl)c(F)c2F)cc[nH+]1 ZINC001250109989 805422231 /nfs/dbraw/zinc/42/22/31/805422231.db2.gz UDRWKUMHHUTRER-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001256868667 806995065 /nfs/dbraw/zinc/99/50/65/806995065.db2.gz YMKMJIGJJIDAIG-MFQJDOPTSA-N 1 2 265.397 3.053 20 30 CGEDLO CCCCCCCCCC[C@@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001257548488 807195290 /nfs/dbraw/zinc/19/52/90/807195290.db2.gz WCRPZPBNNJLZJR-HUUCEWRRSA-N 1 2 287.444 3.029 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167910459 807272730 /nfs/dbraw/zinc/27/27/30/807272730.db2.gz UGLZIJOTOQJFPJ-FICVDOATSA-N 1 2 267.413 3.278 20 30 CGEDLO CCCCCCC[C@@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001258044546 807273661 /nfs/dbraw/zinc/27/36/61/807273661.db2.gz QHIQMQOMJMCZOA-MCIONIFRSA-N 1 2 273.392 3.321 20 30 CGEDLO CCCCCCC[C@@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001258044546 807273668 /nfs/dbraw/zinc/27/36/68/807273668.db2.gz QHIQMQOMJMCZOA-MCIONIFRSA-N 1 2 273.392 3.321 20 30 CGEDLO N#Cc1cccc(N)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699290 815106399 /nfs/dbraw/zinc/10/63/99/815106399.db2.gz XZBAEWJMILKJHM-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO Cc1cc(NCCCCC#N)cc(OC(F)F)[nH+]1 ZINC001168436120 807414240 /nfs/dbraw/zinc/41/42/40/807414240.db2.gz KNAKWCSFCZRKAF-UHFFFAOYSA-N 1 2 255.268 3.097 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258504389 807481324 /nfs/dbraw/zinc/48/13/24/807481324.db2.gz HSFNYYMIMMNJBY-QGZVFWFLSA-N 1 2 271.408 3.183 20 30 CGEDLO CC1(C#N)C[NH+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169291232 807624579 /nfs/dbraw/zinc/62/45/79/807624579.db2.gz VSAIJYLOGQMZFU-UHFFFAOYSA-N 1 2 298.386 3.000 20 30 CGEDLO C=CCS(=O)(=O)Nc1ccc([NH+](CCC)CCC)cc1 ZINC001259930396 807693220 /nfs/dbraw/zinc/69/32/20/807693220.db2.gz MQAWAMMUKAMDAE-UHFFFAOYSA-N 1 2 296.436 3.241 20 30 CGEDLO N#Cc1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)cc1F ZINC001170090582 807754277 /nfs/dbraw/zinc/75/42/77/807754277.db2.gz HALPMGUXVSOGQK-UHFFFAOYSA-N 1 2 292.317 3.260 20 30 CGEDLO C[C@@H](C#N)[N@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399124 807833927 /nfs/dbraw/zinc/83/39/27/807833927.db2.gz YRCXUUNZRZMXCJ-OOHWJJMZSA-N 1 2 267.376 3.234 20 30 CGEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399124 807833932 /nfs/dbraw/zinc/83/39/32/807833932.db2.gz YRCXUUNZRZMXCJ-OOHWJJMZSA-N 1 2 267.376 3.234 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495089 808077162 /nfs/dbraw/zinc/07/71/62/808077162.db2.gz XGTYKQLBYKRQTD-RISCZKNCSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495089 808077169 /nfs/dbraw/zinc/07/71/69/808077169.db2.gz XGTYKQLBYKRQTD-RISCZKNCSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495086 808077770 /nfs/dbraw/zinc/07/77/70/808077770.db2.gz XGTYKQLBYKRQTD-BXUZGUMPSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495086 808077779 /nfs/dbraw/zinc/07/77/79/808077779.db2.gz XGTYKQLBYKRQTD-BXUZGUMPSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495091 808077835 /nfs/dbraw/zinc/07/78/35/808077835.db2.gz XGTYKQLBYKRQTD-SMDDNHRTSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171495091 808077844 /nfs/dbraw/zinc/07/78/44/808077844.db2.gz XGTYKQLBYKRQTD-SMDDNHRTSA-N 1 2 276.330 3.058 20 30 CGEDLO CC[C@H](C)OCC[C@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172340864 808242183 /nfs/dbraw/zinc/24/21/83/808242183.db2.gz RNPRCTGQSYMKEO-HOTGVXAUSA-N 1 2 289.423 3.391 20 30 CGEDLO CC[C@H](C)OCC[C@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172340864 808242185 /nfs/dbraw/zinc/24/21/85/808242185.db2.gz RNPRCTGQSYMKEO-HOTGVXAUSA-N 1 2 289.423 3.391 20 30 CGEDLO CCCCCCC[C@@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172357898 808252425 /nfs/dbraw/zinc/25/24/25/808252425.db2.gz MRQQZTCGVHDKPR-GDBMZVCRSA-N 1 2 285.428 3.047 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)[C@H](C)CC)C1CC1 ZINC001266615712 808296841 /nfs/dbraw/zinc/29/68/41/808296841.db2.gz QPOPEGLBVGELTR-YPMHNXCESA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)[C@H](C)CC)C1CC1 ZINC001266615712 808296847 /nfs/dbraw/zinc/29/68/47/808296847.db2.gz QPOPEGLBVGELTR-YPMHNXCESA-N 1 2 286.847 3.002 20 30 CGEDLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)CCCC#N ZINC001172498172 808354684 /nfs/dbraw/zinc/35/46/84/808354684.db2.gz JIHSOCQPZKSJHY-CYBMUJFWSA-N 1 2 294.420 3.196 20 30 CGEDLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)CCCC#N ZINC001172498172 808354691 /nfs/dbraw/zinc/35/46/91/808354691.db2.gz JIHSOCQPZKSJHY-CYBMUJFWSA-N 1 2 294.420 3.196 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267539471 808442519 /nfs/dbraw/zinc/44/25/19/808442519.db2.gz HKPXTERPSDCKPQ-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267539471 808442525 /nfs/dbraw/zinc/44/25/25/808442525.db2.gz HKPXTERPSDCKPQ-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO CC(C)(O)C#Cc1cccc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213033769 815207808 /nfs/dbraw/zinc/20/78/08/815207808.db2.gz WNLPCHCRFJJMBV-UHFFFAOYSA-N 1 2 291.354 3.429 20 30 CGEDLO C=CCN1CC[NH+]([C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC001172867083 808469065 /nfs/dbraw/zinc/46/90/65/808469065.db2.gz KSAKGHMUOKWLHJ-CYBMUJFWSA-N 1 2 296.817 3.214 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172923903 808482094 /nfs/dbraw/zinc/48/20/94/808482094.db2.gz QAGQBIIUMGJQAV-CVEARBPZSA-N 1 2 299.455 3.437 20 30 CGEDLO N#CCC1CCC([N@@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001173331010 808615859 /nfs/dbraw/zinc/61/58/59/808615859.db2.gz JNDFJWRDFOICFI-CPCZMJQVSA-N 1 2 274.330 3.386 20 30 CGEDLO N#CCC1CCC([N@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001173331010 808615862 /nfs/dbraw/zinc/61/58/62/808615862.db2.gz JNDFJWRDFOICFI-CPCZMJQVSA-N 1 2 274.330 3.386 20 30 CGEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001173624513 808655828 /nfs/dbraw/zinc/65/58/28/808655828.db2.gz ZYTHFVTZSHOYKP-CABCVRRESA-N 1 2 292.423 3.314 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C)C1 ZINC001277671685 809088471 /nfs/dbraw/zinc/08/84/71/809088471.db2.gz ZWIKMBXOLPAUNP-KGLIPLIRSA-N 1 2 280.456 3.023 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CCCCCC)cc2C1 ZINC001281297895 809208580 /nfs/dbraw/zinc/20/85/80/809208580.db2.gz FUELOKKMUSMDEV-UHFFFAOYSA-N 1 2 298.430 3.222 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCCCCC)cc2C1 ZINC001281297895 809208584 /nfs/dbraw/zinc/20/85/84/809208584.db2.gz FUELOKKMUSMDEV-UHFFFAOYSA-N 1 2 298.430 3.222 20 30 CGEDLO C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1Cl)C(=O)OCC ZINC001175175957 809299462 /nfs/dbraw/zinc/29/94/62/809299462.db2.gz YDMOCJBCFIHQGY-IUODEOHRSA-N 1 2 295.810 3.368 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC001175347322 809370986 /nfs/dbraw/zinc/37/09/86/809370986.db2.gz IUJBKQGGHQYHCJ-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO COc1ccc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352455 809374427 /nfs/dbraw/zinc/37/44/27/809374427.db2.gz PJSZCNPHBCCZQA-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cnccc1C#N ZINC001213491766 815290172 /nfs/dbraw/zinc/29/01/72/815290172.db2.gz PFKAQIRUZCKJMJ-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO N#Cc1cc(F)cc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001175683746 809503237 /nfs/dbraw/zinc/50/32/37/809503237.db2.gz JDHULGCHHJXHFU-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2C(C)C)c1C ZINC001213527482 815298382 /nfs/dbraw/zinc/29/83/82/815298382.db2.gz NQXNBRJRZTUKOM-UHFFFAOYSA-N 1 2 255.325 3.091 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc3ccc(C)nc32)cc[nH+]1 ZINC001176114232 809625683 /nfs/dbraw/zinc/62/56/83/809625683.db2.gz PXIOJRMOMAXRJC-UHFFFAOYSA-N 1 2 277.302 3.224 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc([C@H](C)C#N)cc1 ZINC001176120711 809627979 /nfs/dbraw/zinc/62/79/79/809627979.db2.gz IWCLGSJNAYKUIL-LLVKDONJSA-N 1 2 253.305 3.461 20 30 CGEDLO CCCCCCC[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC001181135375 810040625 /nfs/dbraw/zinc/04/06/25/810040625.db2.gz VLAGXEKGVILRBE-AWEZNQCLSA-N 1 2 279.428 3.075 20 30 CGEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1O ZINC001184967521 810226082 /nfs/dbraw/zinc/22/60/82/810226082.db2.gz FARKNWKIJDETCN-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1F ZINC001184969083 810226223 /nfs/dbraw/zinc/22/62/23/810226223.db2.gz WVOOUTWHYAJHBB-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cscc1Br ZINC001198525068 811511568 /nfs/dbraw/zinc/51/15/68/811511568.db2.gz KCTMHPFMKUYBLZ-LLVKDONJSA-N 1 2 284.222 3.498 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cscc1Br ZINC001198525068 811511570 /nfs/dbraw/zinc/51/15/70/811511570.db2.gz KCTMHPFMKUYBLZ-LLVKDONJSA-N 1 2 284.222 3.498 20 30 CGEDLO Cc1noc([C@H]([NH2+]Cc2ccc(C)c(C#N)c2)C(C)C)n1 ZINC001198871901 811549529 /nfs/dbraw/zinc/54/95/29/811549529.db2.gz DBICRGORCBSZBW-OAHLLOKOSA-N 1 2 284.363 3.045 20 30 CGEDLO COc1ccc(C#N)cc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001201585706 811914533 /nfs/dbraw/zinc/91/45/33/811914533.db2.gz RPWHWAPPIVLYSX-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO CNc1ccc(Nc2cc(C#N)ccc2Cl)c[nH+]1 ZINC001203458350 812367049 /nfs/dbraw/zinc/36/70/49/812367049.db2.gz LIWHSABGMLAIPG-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO CNc1ccc(Nc2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC001203459160 812368163 /nfs/dbraw/zinc/36/81/63/812368163.db2.gz XXRRMKMJJGDRKC-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO COc1cc(Nc2cc(C)c[nH+]c2C)ccc1C#N ZINC001203663775 812423078 /nfs/dbraw/zinc/42/30/78/812423078.db2.gz RENZGZGNZDBOEP-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC001204300518 812604362 /nfs/dbraw/zinc/60/43/62/812604362.db2.gz UHGZCIXDEBVTNQ-UHFFFAOYSA-N 1 2 268.360 3.069 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC001204300518 812604367 /nfs/dbraw/zinc/60/43/67/812604367.db2.gz UHGZCIXDEBVTNQ-UHFFFAOYSA-N 1 2 268.360 3.069 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(F)c(OC)c1 ZINC001204561076 812677034 /nfs/dbraw/zinc/67/70/34/812677034.db2.gz HUOCWCIGTQCOOF-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(F)c(OC)c1 ZINC001204561076 812677040 /nfs/dbraw/zinc/67/70/40/812677040.db2.gz HUOCWCIGTQCOOF-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1O ZINC001204721753 812717634 /nfs/dbraw/zinc/71/76/34/812717634.db2.gz PCEXKLUUXZTVED-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1O ZINC001204721753 812717639 /nfs/dbraw/zinc/71/76/39/812717639.db2.gz PCEXKLUUXZTVED-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001204908406 812771079 /nfs/dbraw/zinc/77/10/79/812771079.db2.gz XZGOYAFOPHLUDI-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001204908406 812771085 /nfs/dbraw/zinc/77/10/85/812771085.db2.gz XZGOYAFOPHLUDI-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnc(F)c1C)c1ccc(F)cc1 ZINC001205980130 813150895 /nfs/dbraw/zinc/15/08/95/813150895.db2.gz DROHJNQFWMQZDK-HNNXBMFYSA-N 1 2 272.298 3.132 20 30 CGEDLO C=CCCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209431169 814031801 /nfs/dbraw/zinc/03/18/01/814031801.db2.gz IDIRUAMWAOZRIE-CYBMUJFWSA-N 1 2 261.356 3.072 20 30 CGEDLO C=CCCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209431169 814031808 /nfs/dbraw/zinc/03/18/08/814031808.db2.gz IDIRUAMWAOZRIE-CYBMUJFWSA-N 1 2 261.356 3.072 20 30 CGEDLO C=CCCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209431170 814031862 /nfs/dbraw/zinc/03/18/62/814031862.db2.gz IDIRUAMWAOZRIE-ZDUSSCGKSA-N 1 2 261.356 3.072 20 30 CGEDLO C=CCCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209431170 814031869 /nfs/dbraw/zinc/03/18/69/814031869.db2.gz IDIRUAMWAOZRIE-ZDUSSCGKSA-N 1 2 261.356 3.072 20 30 CGEDLO C#Cc1cc(Nc2cc(OC)cc3ccccc32)cc[nH+]1 ZINC001210585929 814543444 /nfs/dbraw/zinc/54/34/44/814543444.db2.gz MKKVKWOBNBVROE-UHFFFAOYSA-N 1 2 274.323 3.390 20 30 CGEDLO CCOc1cc(Nc2ccccc2C#N)cc(C)[nH+]1 ZINC001210737238 814603294 /nfs/dbraw/zinc/60/32/94/814603294.db2.gz CJZOAHWWVSIKQT-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(F)c2Cl)cc[nH+]1 ZINC001215951739 815639632 /nfs/dbraw/zinc/63/96/32/815639632.db2.gz CPYHDMNQVCYMPW-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO N#Cc1cccc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc12 ZINC001218012060 816052290 /nfs/dbraw/zinc/05/22/90/816052290.db2.gz LIFFSPADVBRFBV-HNNXBMFYSA-N 1 2 288.297 3.087 20 30 CGEDLO C#C[C@@H](COc1cccc(Cl)c1)Oc1cc[nH+]cc1 ZINC001225291857 816998049 /nfs/dbraw/zinc/99/80/49/816998049.db2.gz ABWDKTLDDATXCE-ZDUSSCGKSA-N 1 2 273.719 3.195 20 30 CGEDLO CC(C)[NH+]1CC(Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226998868 817530851 /nfs/dbraw/zinc/53/08/51/817530851.db2.gz CPLNRVCRHRLGQF-UHFFFAOYSA-N 1 2 284.281 3.048 20 30 CGEDLO COc1cc[nH+]c(CN(CCC#N)Cc2ccccc2)c1 ZINC001231966098 818217080 /nfs/dbraw/zinc/21/70/80/818217080.db2.gz QFYGCYNJSZLYPW-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO Cc1[nH]c(CN(CCC#N)Cc2ccc(Cl)cc2)c[nH+]1 ZINC001232465150 818359941 /nfs/dbraw/zinc/35/99/41/818359941.db2.gz WHELYAZAFLQUQM-UHFFFAOYSA-N 1 2 288.782 3.287 20 30 CGEDLO Cc1[nH]cc(CN(CCC#N)Cc2ccc(Cl)cc2)[nH+]1 ZINC001232465150 818359948 /nfs/dbraw/zinc/35/99/48/818359948.db2.gz WHELYAZAFLQUQM-UHFFFAOYSA-N 1 2 288.782 3.287 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)C1CC(F)(F)C1 ZINC001232605053 818394287 /nfs/dbraw/zinc/39/42/87/818394287.db2.gz SAHYYAIPCZPTSO-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC(F)(F)C1 ZINC001232605053 818394293 /nfs/dbraw/zinc/39/42/93/818394293.db2.gz SAHYYAIPCZPTSO-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001232888566 818465611 /nfs/dbraw/zinc/46/56/11/818465611.db2.gz HGWWTNXDORSWNK-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001232888566 818465614 /nfs/dbraw/zinc/46/56/14/818465614.db2.gz HGWWTNXDORSWNK-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001233046269 818508319 /nfs/dbraw/zinc/50/83/19/818508319.db2.gz RHCNXNTUKSQLIQ-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001233046269 818508324 /nfs/dbraw/zinc/50/83/24/818508324.db2.gz RHCNXNTUKSQLIQ-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(F)cc1N ZINC001233380529 818605221 /nfs/dbraw/zinc/60/52/21/818605221.db2.gz SRLXMVDYRSMMSY-UHFFFAOYSA-N 1 2 267.323 3.063 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(F)cc1N ZINC001233380529 818605227 /nfs/dbraw/zinc/60/52/27/818605227.db2.gz SRLXMVDYRSMMSY-UHFFFAOYSA-N 1 2 267.323 3.063 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(F)c(OCC)c1 ZINC001235802412 819170592 /nfs/dbraw/zinc/17/05/92/819170592.db2.gz WOLKXHHZKYWVFW-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(F)c(OCC)c1 ZINC001235802412 819170598 /nfs/dbraw/zinc/17/05/98/819170598.db2.gz WOLKXHHZKYWVFW-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)ccc(N)c1F ZINC001236243855 819402627 /nfs/dbraw/zinc/40/26/27/819402627.db2.gz HBOCTBVKGJTWDR-UHFFFAOYSA-N 1 2 287.313 3.051 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)ccc(N)c1F ZINC001236243855 819402634 /nfs/dbraw/zinc/40/26/34/819402634.db2.gz HBOCTBVKGJTWDR-UHFFFAOYSA-N 1 2 287.313 3.051 20 30 CGEDLO CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001237400970 819743306 /nfs/dbraw/zinc/74/33/06/819743306.db2.gz NTJILQNURMUYSM-SFHVURJKSA-N 1 2 299.418 3.407 20 30 CGEDLO CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001237400970 819743309 /nfs/dbraw/zinc/74/33/09/819743309.db2.gz NTJILQNURMUYSM-SFHVURJKSA-N 1 2 299.418 3.407 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001237753620 819837539 /nfs/dbraw/zinc/83/75/39/819837539.db2.gz GIIDKLLYIBARFL-CYBMUJFWSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001237753620 819837551 /nfs/dbraw/zinc/83/75/51/819837551.db2.gz GIIDKLLYIBARFL-CYBMUJFWSA-N 1 2 252.720 3.146 20 30 CGEDLO N#CC1CC[NH+](Cc2csc(-c3ccc(O)cc3)n2)CC1 ZINC001237977229 819902478 /nfs/dbraw/zinc/90/24/78/819902478.db2.gz GYIZVSQIRWXUTF-UHFFFAOYSA-N 1 2 299.399 3.251 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558888 820042074 /nfs/dbraw/zinc/04/20/74/820042074.db2.gz QVMUGOXASDTQPR-CQSZACIVSA-N 1 2 281.334 3.233 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558888 820042084 /nfs/dbraw/zinc/04/20/84/820042084.db2.gz QVMUGOXASDTQPR-CQSZACIVSA-N 1 2 281.334 3.233 20 30 CGEDLO CSc1cc(C)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001238690673 820084959 /nfs/dbraw/zinc/08/49/59/820084959.db2.gz QZOYQBJKLMMUCU-HNNXBMFYSA-N 1 2 260.406 3.453 20 30 CGEDLO CSc1cc(C)cc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001238690673 820084969 /nfs/dbraw/zinc/08/49/69/820084969.db2.gz QZOYQBJKLMMUCU-HNNXBMFYSA-N 1 2 260.406 3.453 20 30 CGEDLO Cc1cn2cc(-c3ccccc3OCC#N)ccc2[nH+]1 ZINC001243584234 823455340 /nfs/dbraw/zinc/45/53/40/823455340.db2.gz KZRYBBNUDUKGGJ-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1cnc(C#N)c(F)c1 ZINC001238993120 820186769 /nfs/dbraw/zinc/18/67/69/820186769.db2.gz UOWGAILRWCPXSO-UHFFFAOYSA-N 1 2 296.349 3.453 20 30 CGEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)nc1F ZINC001243655811 823476042 /nfs/dbraw/zinc/47/60/42/823476042.db2.gz BAVXDOWOBAHLDN-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239920384 820698679 /nfs/dbraw/zinc/69/86/79/820698679.db2.gz HDXHEMYFROOPEP-UHFFFAOYSA-N 1 2 269.254 3.460 20 30 CGEDLO Cc1cc(F)cc(-c2ccc3[nH+]ccn3c2)c1C#N ZINC001240219202 820896061 /nfs/dbraw/zinc/89/60/61/820896061.db2.gz FJSMPLZQMUAVOK-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CCOC(=O)c1ccc(C#N)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510441 821105325 /nfs/dbraw/zinc/10/53/25/821105325.db2.gz KCWQNJRPDSZNTF-UHFFFAOYSA-N 1 2 291.310 3.050 20 30 CGEDLO COc1cc(-c2ccn3cc[nH+]c3c2)cc(F)c1C#N ZINC001240518284 821115009 /nfs/dbraw/zinc/11/50/09/821115009.db2.gz NCFKYGHPJPPENF-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)nc(C)c1C#N ZINC001241239778 821661034 /nfs/dbraw/zinc/66/10/34/821661034.db2.gz DHZSDLOXHCUDRP-UHFFFAOYSA-N 1 2 266.348 3.007 20 30 CGEDLO Cc1cc(F)cc(-c2c[nH+]c(N(C)C)cc2C)c1C#N ZINC001241242465 821663256 /nfs/dbraw/zinc/66/32/56/821663256.db2.gz CRRYYAXCFFGHJL-UHFFFAOYSA-N 1 2 269.323 3.442 20 30 CGEDLO COc1cc(C#N)ccc1-c1ccc2[nH+]ccn2c1C ZINC001241412147 821807310 /nfs/dbraw/zinc/80/73/10/821807310.db2.gz MOJXMGWXWFZBAM-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COC(=[NH2+])c1cccc(-c2cccc(OC)c2C#N)c1 ZINC001242301473 822944701 /nfs/dbraw/zinc/94/47/01/822944701.db2.gz PITSEJBMFYMORM-UHFFFAOYSA-N 1 2 266.300 3.206 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(C3=CC(=O)CC(C)(C)C3)nn2)c1C ZINC001242317228 822950079 /nfs/dbraw/zinc/95/00/79/822950079.db2.gz XKLWSBOIODHHCC-UHFFFAOYSA-N 1 2 296.374 3.052 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3ccc(C#N)cc3C)nn2)c1C ZINC001242473587 823004946 /nfs/dbraw/zinc/00/49/46/823004946.db2.gz DEQZOXSTKHRGCE-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C=CC[C@H](C(=O)OCc1c[nH+]cn1CC)c1ccccc1 ZINC001350344980 936988071 /nfs/dbraw/zinc/98/80/71/936988071.db2.gz QDLMQCCHHWOYSK-INIZCTEOSA-N 1 2 284.359 3.306 20 30 CGEDLO N#Cc1ccc(CCNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001167678725 926827141 /nfs/dbraw/zinc/82/71/41/926827141.db2.gz AWYFEJNRKLZGEN-UHFFFAOYSA-N 1 2 292.386 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccoc1CCC ZINC001481011580 926858565 /nfs/dbraw/zinc/85/85/65/926858565.db2.gz GAZKBMJOVXIADT-UHFFFAOYSA-N 1 2 298.814 3.036 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccoc1CCC ZINC001481011580 926858578 /nfs/dbraw/zinc/85/85/78/926858578.db2.gz GAZKBMJOVXIADT-UHFFFAOYSA-N 1 2 298.814 3.036 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001482596820 927316493 /nfs/dbraw/zinc/31/64/93/927316493.db2.gz YQJPRUSYURIKFD-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001482596820 927316504 /nfs/dbraw/zinc/31/65/04/927316504.db2.gz YQJPRUSYURIKFD-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001485368760 927856490 /nfs/dbraw/zinc/85/64/90/927856490.db2.gz BVKSHBLOBMARNI-CHWSQXEVSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001485368760 927856503 /nfs/dbraw/zinc/85/65/03/927856503.db2.gz BVKSHBLOBMARNI-CHWSQXEVSA-N 1 2 286.847 3.002 20 30 CGEDLO CC(F)(F)CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930922133 928627983 /nfs/dbraw/zinc/62/79/83/928627983.db2.gz CMFWGBJZNHBTJU-INIZCTEOSA-N 1 2 293.361 3.374 20 30 CGEDLO CC(F)(F)CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930922133 928627987 /nfs/dbraw/zinc/62/79/87/928627987.db2.gz CMFWGBJZNHBTJU-INIZCTEOSA-N 1 2 293.361 3.374 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)OCCCC ZINC001459831498 937502260 /nfs/dbraw/zinc/50/22/60/937502260.db2.gz DDGYAPGCQZMIII-AWEZNQCLSA-N 1 2 279.380 3.042 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)OCCCC ZINC001459831498 937502263 /nfs/dbraw/zinc/50/22/63/937502263.db2.gz DDGYAPGCQZMIII-AWEZNQCLSA-N 1 2 279.380 3.042 20 30 CGEDLO C#CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)C(C)(C)C ZINC001460805178 937546076 /nfs/dbraw/zinc/54/60/76/937546076.db2.gz AZLMYYJLOGCPBY-UHFFFAOYSA-N 1 2 297.402 3.203 20 30 CGEDLO C#CC[N@H+](Cc1nc(Cc2ccccc2C)no1)C(C)(C)C ZINC001460805178 937546078 /nfs/dbraw/zinc/54/60/78/937546078.db2.gz AZLMYYJLOGCPBY-UHFFFAOYSA-N 1 2 297.402 3.203 20 30 CGEDLO CC(C)c1[nH]cc(CNc2cccc(F)c2C#N)[nH+]1 ZINC001307218972 932779457 /nfs/dbraw/zinc/77/94/57/932779457.db2.gz FZTGMDOYQJPWLL-UHFFFAOYSA-N 1 2 258.300 3.156 20 30 CGEDLO CC(C)c1[nH]c(CNc2cccc(F)c2C#N)c[nH+]1 ZINC001307218972 932779460 /nfs/dbraw/zinc/77/94/60/932779460.db2.gz FZTGMDOYQJPWLL-UHFFFAOYSA-N 1 2 258.300 3.156 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001307445677 932952962 /nfs/dbraw/zinc/95/29/62/932952962.db2.gz GMEREEBYOTZUNH-UBHSHLNASA-N 1 2 264.319 3.127 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001307445677 932952963 /nfs/dbraw/zinc/95/29/63/932952963.db2.gz GMEREEBYOTZUNH-UBHSHLNASA-N 1 2 264.319 3.127 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001307680902 932985061 /nfs/dbraw/zinc/98/50/61/932985061.db2.gz LAKWQGMBAZEJHI-ZDUSSCGKSA-N 1 2 285.746 3.029 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001307680902 932985068 /nfs/dbraw/zinc/98/50/68/932985068.db2.gz LAKWQGMBAZEJHI-ZDUSSCGKSA-N 1 2 285.746 3.029 20 30 CGEDLO CC#CC[N@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001462630769 937655452 /nfs/dbraw/zinc/65/54/52/937655452.db2.gz XBJQLVPHQWJJKW-UHFFFAOYSA-N 1 2 275.245 3.179 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001462630769 937655455 /nfs/dbraw/zinc/65/54/55/937655455.db2.gz XBJQLVPHQWJJKW-UHFFFAOYSA-N 1 2 275.245 3.179 20 30 CGEDLO C#CCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC001308409325 933106097 /nfs/dbraw/zinc/10/60/97/933106097.db2.gz OWLHOYPRBPRONJ-UHFFFAOYSA-N 1 2 292.791 3.098 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3cc(C)cc(C#N)c3)n2c1 ZINC001308436441 933111299 /nfs/dbraw/zinc/11/12/99/933111299.db2.gz BYWORDDVSAWLDA-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1CC(=C)Cl ZINC001317503879 933606661 /nfs/dbraw/zinc/60/66/61/933606661.db2.gz CDMQCNSWUOIYTD-OAHLLOKOSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=C)Cl ZINC001317503879 933606668 /nfs/dbraw/zinc/60/66/68/933606668.db2.gz CDMQCNSWUOIYTD-OAHLLOKOSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001317766211 933646336 /nfs/dbraw/zinc/64/63/36/933646336.db2.gz CKWFLWUHVUDJBO-QLFBSQMISA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001317766211 933646341 /nfs/dbraw/zinc/64/63/41/933646341.db2.gz CKWFLWUHVUDJBO-QLFBSQMISA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001317988180 933671411 /nfs/dbraw/zinc/67/14/11/933671411.db2.gz SPQIHINSKZRMRV-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001317988180 933671423 /nfs/dbraw/zinc/67/14/23/933671423.db2.gz SPQIHINSKZRMRV-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001321150509 934156164 /nfs/dbraw/zinc/15/61/64/934156164.db2.gz VBKKCGFPWIEFRB-IKGGRYGDSA-N 1 2 287.403 3.420 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](CCC)C2)c1=S ZINC001323774250 934423972 /nfs/dbraw/zinc/42/39/72/934423972.db2.gz ZWZYWUCBUQQSIB-ZDUSSCGKSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](CCC)C2)c1=S ZINC001323774250 934423976 /nfs/dbraw/zinc/42/39/76/934423976.db2.gz ZWZYWUCBUQQSIB-ZDUSSCGKSA-N 1 2 280.441 3.070 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)C2CCC2)C1 ZINC001330033024 935262255 /nfs/dbraw/zinc/26/22/55/935262255.db2.gz YFEVTHAQZWJOLZ-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001330641765 935307522 /nfs/dbraw/zinc/30/75/22/935307522.db2.gz ZSBLIOUQRWKEOR-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC001330641765 935307529 /nfs/dbraw/zinc/30/75/29/935307529.db2.gz ZSBLIOUQRWKEOR-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OCC ZINC001331728553 935405539 /nfs/dbraw/zinc/40/55/39/935405539.db2.gz OMTGXFPWFIIAMG-IGQOVBAYSA-N 1 2 293.432 3.338 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccoc2)n1)CC1CC1 ZINC001335592127 936154482 /nfs/dbraw/zinc/15/44/82/936154482.db2.gz ZRBNAUGJDVQKIQ-UHFFFAOYSA-N 1 2 272.373 3.248 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccoc2)n1)CC1CC1 ZINC001335592127 936154485 /nfs/dbraw/zinc/15/44/85/936154485.db2.gz ZRBNAUGJDVQKIQ-UHFFFAOYSA-N 1 2 272.373 3.248 20 30 CGEDLO CC#CC[N@@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001473892368 937827773 /nfs/dbraw/zinc/82/77/73/937827773.db2.gz UDGOJYMZISFMHM-LBPRGKRZSA-N 1 2 262.422 3.113 20 30 CGEDLO CC#CC[N@H+](CC)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001473892368 937827774 /nfs/dbraw/zinc/82/77/74/937827774.db2.gz UDGOJYMZISFMHM-LBPRGKRZSA-N 1 2 262.422 3.113 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CCC ZINC001505882522 937987682 /nfs/dbraw/zinc/98/76/82/937987682.db2.gz USUMHTPQICTLRG-YPMHNXCESA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CCC ZINC001505882522 937987683 /nfs/dbraw/zinc/98/76/83/937987683.db2.gz USUMHTPQICTLRG-YPMHNXCESA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001505959887 937988411 /nfs/dbraw/zinc/98/84/11/937988411.db2.gz ZJWUUUQOYVTOOM-JTQLQIEISA-N 1 2 298.814 3.007 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001505959887 937988412 /nfs/dbraw/zinc/98/84/12/937988412.db2.gz ZJWUUUQOYVTOOM-JTQLQIEISA-N 1 2 298.814 3.007 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001506013055 937988695 /nfs/dbraw/zinc/98/86/95/937988695.db2.gz RNPQIXDUVZDZEH-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001506013055 937988696 /nfs/dbraw/zinc/98/86/96/937988696.db2.gz RNPQIXDUVZDZEH-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001559106679 938220401 /nfs/dbraw/zinc/22/04/01/938220401.db2.gz JDGLWWPTNVHKDM-NSHDSACASA-N 1 2 297.337 3.331 20 30 CGEDLO Cc1cc(F)c(C#N)c(NCc2ccn3cc[nH+]c3c2)c1 ZINC001559138089 938221107 /nfs/dbraw/zinc/22/11/07/938221107.db2.gz XPSLVKFXUHXPTC-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C[C@H]1COCC[N@@H+]1CCSc1ccc(Cl)cc1C#N ZINC001559379059 938225855 /nfs/dbraw/zinc/22/58/55/938225855.db2.gz BGLSAVIXSXCKMA-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@H]1COCC[N@H+]1CCSc1ccc(Cl)cc1C#N ZINC001559379059 938225856 /nfs/dbraw/zinc/22/58/56/938225856.db2.gz BGLSAVIXSXCKMA-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCCC1(C)C ZINC001559976436 938240790 /nfs/dbraw/zinc/24/07/90/938240790.db2.gz SYKXRFLDHOZRJM-OAHLLOKOSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCCC1(C)C ZINC001559976436 938240791 /nfs/dbraw/zinc/24/07/91/938240791.db2.gz SYKXRFLDHOZRJM-OAHLLOKOSA-N 1 2 293.451 3.480 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1CCC2(CC2)CC1 ZINC001567339945 961293077 /nfs/dbraw/zinc/29/30/77/961293077.db2.gz YUBVDQBJRAMGOR-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1CCC2(CC2)CC1 ZINC001567339945 961293090 /nfs/dbraw/zinc/29/30/90/961293090.db2.gz YUBVDQBJRAMGOR-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001569510424 961787712 /nfs/dbraw/zinc/78/77/12/961787712.db2.gz RBERSKCJRBVBJN-WAYWQWQTSA-N 1 2 298.430 3.117 20 30 CGEDLO CC[N@H+](CCC(F)(F)F)Cc1cccc(F)c1C#N ZINC000589984288 346820060 /nfs/dbraw/zinc/82/00/60/346820060.db2.gz FGKOEWIQLIWKSD-UHFFFAOYSA-N 1 2 274.261 3.472 20 30 CGEDLO CC[N@@H+](CCC(F)(F)F)Cc1cccc(F)c1C#N ZINC000589984288 346820061 /nfs/dbraw/zinc/82/00/61/346820061.db2.gz FGKOEWIQLIWKSD-UHFFFAOYSA-N 1 2 274.261 3.472 20 30 CGEDLO N#CC1(CC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)CCCCC1 ZINC000591011592 346894544 /nfs/dbraw/zinc/89/45/44/346894544.db2.gz ZJIQBMHKGABARO-HNNXBMFYSA-N 1 2 286.423 3.453 20 30 CGEDLO N#CC1(CC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)CCCCC1 ZINC000591011592 346894547 /nfs/dbraw/zinc/89/45/47/346894547.db2.gz ZJIQBMHKGABARO-HNNXBMFYSA-N 1 2 286.423 3.453 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cccc(Br)c1Cl ZINC000591259216 346912458 /nfs/dbraw/zinc/91/24/58/346912458.db2.gz MFBLUYCGYABTSM-MRVPVSSYSA-N 1 2 287.588 3.494 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC000592099362 346962167 /nfs/dbraw/zinc/96/21/67/346962167.db2.gz GXRDUZYQCGIISX-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000592099362 346962172 /nfs/dbraw/zinc/96/21/72/346962172.db2.gz GXRDUZYQCGIISX-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccncc2C#N)s1 ZINC000592069960 346959123 /nfs/dbraw/zinc/95/91/23/346959123.db2.gz CEQGZZBJFUICNE-LLVKDONJSA-N 1 2 286.404 3.220 20 30 CGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccncc2C#N)s1 ZINC000592069960 346959128 /nfs/dbraw/zinc/95/91/28/346959128.db2.gz CEQGZZBJFUICNE-LLVKDONJSA-N 1 2 286.404 3.220 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000592071667 346960424 /nfs/dbraw/zinc/96/04/24/346960424.db2.gz NXJMUUCEAAIPGB-SUMWQHHRSA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)[C@H]1c1ccccc1 ZINC000592071667 346960426 /nfs/dbraw/zinc/96/04/26/346960426.db2.gz NXJMUUCEAAIPGB-SUMWQHHRSA-N 1 2 263.344 3.146 20 30 CGEDLO Cc1cccc(C[N@H+](C)Cc2ccncc2C#N)c1C ZINC000592122518 346965025 /nfs/dbraw/zinc/96/50/25/346965025.db2.gz LVJLLJZCGLYVJK-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1cccc(C[N@@H+](C)Cc2ccncc2C#N)c1C ZINC000592122518 346965027 /nfs/dbraw/zinc/96/50/27/346965027.db2.gz LVJLLJZCGLYVJK-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC2(CCCC2)O1 ZINC000592194016 346971125 /nfs/dbraw/zinc/97/11/25/346971125.db2.gz NWBHFAUYMHHWCY-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC2(CCCC2)O1 ZINC000592194016 346971128 /nfs/dbraw/zinc/97/11/28/346971128.db2.gz NWBHFAUYMHHWCY-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000593058788 347033791 /nfs/dbraw/zinc/03/37/91/347033791.db2.gz OQKYKCXPZZBXAA-ZDUSSCGKSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(F)c1C#N ZINC000593058788 347033795 /nfs/dbraw/zinc/03/37/95/347033795.db2.gz OQKYKCXPZZBXAA-ZDUSSCGKSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062839075 345241157 /nfs/dbraw/zinc/24/11/57/345241157.db2.gz PTZWASRWKWEOFG-SNVBAGLBSA-N 1 2 251.399 3.222 20 30 CGEDLO COCC[N@@H+](CCC#N)CCSc1ccc(C)c(C)c1 ZINC000072688844 345416122 /nfs/dbraw/zinc/41/61/22/345416122.db2.gz RKIAGXBMBPOEKZ-UHFFFAOYSA-N 1 2 292.448 3.258 20 30 CGEDLO COCC[N@H+](CCC#N)CCSc1ccc(C)c(C)c1 ZINC000072688844 345416125 /nfs/dbraw/zinc/41/61/25/345416125.db2.gz RKIAGXBMBPOEKZ-UHFFFAOYSA-N 1 2 292.448 3.258 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1csc2ccccc12 ZINC000107886061 345935966 /nfs/dbraw/zinc/93/59/66/345935966.db2.gz KGPRESVIAGZGOH-UHFFFAOYSA-N 1 2 274.389 3.263 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1csc2ccccc12 ZINC000107886061 345935968 /nfs/dbraw/zinc/93/59/68/345935968.db2.gz KGPRESVIAGZGOH-UHFFFAOYSA-N 1 2 274.389 3.263 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000397643261 346583481 /nfs/dbraw/zinc/58/34/81/346583481.db2.gz RLXBBOGHZHCMPK-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000397643261 346583484 /nfs/dbraw/zinc/58/34/84/346583484.db2.gz RLXBBOGHZHCMPK-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000588934219 346776676 /nfs/dbraw/zinc/77/66/76/346776676.db2.gz KROYKKIUBOJJQM-UHFFFAOYSA-N 1 2 256.321 3.287 20 30 CGEDLO COc1ccc(N[C@H]2CCc3ccc(C#N)cc32)[nH+]c1 ZINC000589342912 346794163 /nfs/dbraw/zinc/79/41/63/346794163.db2.gz SEYZFRZUEJYSAD-HNNXBMFYSA-N 1 2 265.316 3.061 20 30 CGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000589510452 346799212 /nfs/dbraw/zinc/79/92/12/346799212.db2.gz FBQDHQKZEUJVSS-IUCAKERBSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nc(C#N)cs1 ZINC000589510452 346799215 /nfs/dbraw/zinc/79/92/15/346799215.db2.gz FBQDHQKZEUJVSS-IUCAKERBSA-N 1 2 289.326 3.178 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000594011621 347136427 /nfs/dbraw/zinc/13/64/27/347136427.db2.gz DASDDZYAOURJSR-ZDUSSCGKSA-N 1 2 285.347 3.132 20 30 CGEDLO N#CCCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000594258016 347168335 /nfs/dbraw/zinc/16/83/35/347168335.db2.gz JHHTZKMJDLYIPG-UHFFFAOYSA-N 1 2 268.320 3.099 20 30 CGEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000595001346 347253059 /nfs/dbraw/zinc/25/30/59/347253059.db2.gz SPZOCRKWNMWNON-UHFFFAOYSA-N 1 2 270.298 3.468 20 30 CGEDLO CCCc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595610467 347326811 /nfs/dbraw/zinc/32/68/11/347326811.db2.gz ZFZVODBRNRQEDD-LBPRGKRZSA-N 1 2 263.410 3.221 20 30 CGEDLO CCCc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595610467 347326812 /nfs/dbraw/zinc/32/68/12/347326812.db2.gz ZFZVODBRNRQEDD-LBPRGKRZSA-N 1 2 263.410 3.221 20 30 CGEDLO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595612190 347327139 /nfs/dbraw/zinc/32/71/39/347327139.db2.gz SUUQSWSPNZQVBZ-STQMWFEESA-N 1 2 276.384 3.099 20 30 CGEDLO CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595612190 347327140 /nfs/dbraw/zinc/32/71/40/347327140.db2.gz SUUQSWSPNZQVBZ-STQMWFEESA-N 1 2 276.384 3.099 20 30 CGEDLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595612654 347327528 /nfs/dbraw/zinc/32/75/28/347327528.db2.gz ZITMELKLIGXGST-LBPRGKRZSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595612654 347327534 /nfs/dbraw/zinc/32/75/34/347327534.db2.gz ZITMELKLIGXGST-LBPRGKRZSA-N 1 2 263.410 3.392 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000595815845 347359638 /nfs/dbraw/zinc/35/96/38/347359638.db2.gz UJMWPVQWXBQXPS-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000595815845 347359640 /nfs/dbraw/zinc/35/96/40/347359640.db2.gz UJMWPVQWXBQXPS-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCCC#N ZINC000595767295 347353633 /nfs/dbraw/zinc/35/36/33/347353633.db2.gz NWQGSOYEUOQKJL-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCCC#N ZINC000595767295 347353636 /nfs/dbraw/zinc/35/36/36/347353636.db2.gz NWQGSOYEUOQKJL-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO N#CCC1(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)CC1 ZINC000596264533 347407678 /nfs/dbraw/zinc/40/76/78/347407678.db2.gz JLHXHOAXECOTEK-UHFFFAOYSA-N 1 2 280.253 3.144 20 30 CGEDLO CC[N@H+](CC[C@@H](C)OCc1ccccc1)[C@H](C)C#N ZINC000595819892 347360335 /nfs/dbraw/zinc/36/03/35/347360335.db2.gz GPTROSFJEYWBJE-HUUCEWRRSA-N 1 2 260.381 3.216 20 30 CGEDLO CC[N@@H+](CC[C@@H](C)OCc1ccccc1)[C@H](C)C#N ZINC000595819892 347360340 /nfs/dbraw/zinc/36/03/40/347360340.db2.gz GPTROSFJEYWBJE-HUUCEWRRSA-N 1 2 260.381 3.216 20 30 CGEDLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838338 347364413 /nfs/dbraw/zinc/36/44/13/347364413.db2.gz ALOGJQFIZZLKQO-HZMBPMFUSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838338 347364414 /nfs/dbraw/zinc/36/44/14/347364414.db2.gz ALOGJQFIZZLKQO-HZMBPMFUSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595842617 347366563 /nfs/dbraw/zinc/36/65/63/347366563.db2.gz GAFZPBIQHJMBPK-AWEZNQCLSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595842617 347366566 /nfs/dbraw/zinc/36/65/66/347366566.db2.gz GAFZPBIQHJMBPK-AWEZNQCLSA-N 1 2 282.746 3.093 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842917 347366590 /nfs/dbraw/zinc/36/65/90/347366590.db2.gz IETCJIKFDCLLAO-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842917 347366591 /nfs/dbraw/zinc/36/65/91/347366591.db2.gz IETCJIKFDCLLAO-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc2[nH+]c(N3CCC[C@H](CC#N)C3)ccc2c1 ZINC000596330162 347419752 /nfs/dbraw/zinc/41/97/52/347419752.db2.gz JOQWUYQMOBDUNV-CYBMUJFWSA-N 1 2 281.359 3.373 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596356113 347430755 /nfs/dbraw/zinc/43/07/55/347430755.db2.gz FQQIEKBJLHNQDP-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO C=CC[N@@H+](Cc1ccnn1CCC)Cc1cccc(C#N)c1 ZINC000596999675 347526390 /nfs/dbraw/zinc/52/63/90/347526390.db2.gz HXXKTRAYOJWLLK-UHFFFAOYSA-N 1 2 294.402 3.353 20 30 CGEDLO C=CC[N@H+](Cc1ccnn1CCC)Cc1cccc(C#N)c1 ZINC000596999675 347526394 /nfs/dbraw/zinc/52/63/94/347526394.db2.gz HXXKTRAYOJWLLK-UHFFFAOYSA-N 1 2 294.402 3.353 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000597081741 347533942 /nfs/dbraw/zinc/53/39/42/347533942.db2.gz CWZVFJAJUWOTLP-SECBINFHSA-N 1 2 293.164 3.445 20 30 CGEDLO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(F)F ZINC000597082422 347534091 /nfs/dbraw/zinc/53/40/91/347534091.db2.gz JQGXJPYHCVRFCQ-UHFFFAOYSA-N 1 2 264.319 3.329 20 30 CGEDLO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(F)F ZINC000597082422 347534095 /nfs/dbraw/zinc/53/40/95/347534095.db2.gz JQGXJPYHCVRFCQ-UHFFFAOYSA-N 1 2 264.319 3.329 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000597081747 347534105 /nfs/dbraw/zinc/53/41/05/347534105.db2.gz CWZVFJAJUWOTLP-VIFPVBQESA-N 1 2 293.164 3.445 20 30 CGEDLO N#CC1(c2ccc(C[N@H+]3CCC=C(F)C3)cc2)CC1 ZINC000597085603 347534785 /nfs/dbraw/zinc/53/47/85/347534785.db2.gz XFUYRUACAGOSAH-UHFFFAOYSA-N 1 2 256.324 3.301 20 30 CGEDLO N#CC1(c2ccc(C[N@@H+]3CCC=C(F)C3)cc2)CC1 ZINC000597085603 347534787 /nfs/dbraw/zinc/53/47/87/347534787.db2.gz XFUYRUACAGOSAH-UHFFFAOYSA-N 1 2 256.324 3.301 20 30 CGEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597159981 347542554 /nfs/dbraw/zinc/54/25/54/347542554.db2.gz WMWNCVKATNQRRQ-GFCCVEGCSA-N 1 2 296.374 3.126 20 30 CGEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597159981 347542557 /nfs/dbraw/zinc/54/25/57/347542557.db2.gz WMWNCVKATNQRRQ-GFCCVEGCSA-N 1 2 296.374 3.126 20 30 CGEDLO CC[C@@H](C)Oc1cc(C[NH+]2CC(CC#N)C2)ccc1OC ZINC000597194324 347548802 /nfs/dbraw/zinc/54/88/02/347548802.db2.gz RRPRLUIIORLZFB-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO N#CCC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599067003 347713417 /nfs/dbraw/zinc/71/34/17/347713417.db2.gz WFZVDSNKLQYJGN-UHFFFAOYSA-N 1 2 296.330 3.273 20 30 CGEDLO N#CC[C@@H]1CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000599098969 347716759 /nfs/dbraw/zinc/71/67/59/347716759.db2.gz PLLOHMAQRCCIPP-ZDUSSCGKSA-N 1 2 291.358 3.013 20 30 CGEDLO Cc1nnc([C@@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599678366 347765242 /nfs/dbraw/zinc/76/52/42/347765242.db2.gz UTZIYRQVNRCYFJ-LLVKDONJSA-N 1 2 298.415 3.032 20 30 CGEDLO Cc1nnc([C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599678366 347765246 /nfs/dbraw/zinc/76/52/46/347765246.db2.gz UTZIYRQVNRCYFJ-LLVKDONJSA-N 1 2 298.415 3.032 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[NH+](C2CC2)C2CC2)c1C#N ZINC000599599450 347757640 /nfs/dbraw/zinc/75/76/40/347757640.db2.gz KIBPSCILYFTEOK-UHFFFAOYSA-N 1 2 292.386 3.179 20 30 CGEDLO CCOCCCNc1ccc(-c2cccc(F)c2C#N)c[nH+]1 ZINC000600791544 347836950 /nfs/dbraw/zinc/83/69/50/347836950.db2.gz RHUKWHBMNTVTCH-UHFFFAOYSA-N 1 2 299.349 3.020 20 30 CGEDLO Cc1c(C#N)cccc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602591116 347990464 /nfs/dbraw/zinc/99/04/64/347990464.db2.gz LEMROHCXHQYTPL-HNNXBMFYSA-N 1 2 266.348 3.163 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000602624298 347996058 /nfs/dbraw/zinc/99/60/58/347996058.db2.gz LQMZXEHGPRRYOF-MLGOLLRUSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000602624298 347996061 /nfs/dbraw/zinc/99/60/61/347996061.db2.gz LQMZXEHGPRRYOF-MLGOLLRUSA-N 1 2 294.345 3.278 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc3cc(F)ccc3o2)CCCC1 ZINC000602697608 348011357 /nfs/dbraw/zinc/01/13/57/348011357.db2.gz CNEJNMZVCLPQAT-UHFFFAOYSA-N 1 2 273.311 3.140 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc3ccccc3o2)CCCC1 ZINC000602698290 348012049 /nfs/dbraw/zinc/01/20/49/348012049.db2.gz HECWRGJBPAAUBN-UHFFFAOYSA-N 1 2 255.321 3.001 20 30 CGEDLO COc1cccc(OC)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000602712985 348015649 /nfs/dbraw/zinc/01/56/49/348015649.db2.gz XEWDAGGLCXNYBK-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cccc(OC)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000602712985 348015651 /nfs/dbraw/zinc/01/56/51/348015651.db2.gz XEWDAGGLCXNYBK-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COCc1cc(C#N)ccc1NCc1[nH+]ccn1CC(C)C ZINC000603295084 348068470 /nfs/dbraw/zinc/06/84/70/348068470.db2.gz DNBIEJVDKMVKET-UHFFFAOYSA-N 1 2 298.390 3.169 20 30 CGEDLO COCc1cc(C#N)ccc1NCCCc1[nH+]cccc1C ZINC000603386204 348077565 /nfs/dbraw/zinc/07/75/65/348077565.db2.gz IPQLLIOMUQCDTH-UHFFFAOYSA-N 1 2 295.386 3.453 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000602869693 348038980 /nfs/dbraw/zinc/03/89/80/348038980.db2.gz HFRNLORACQLPLH-CQSZACIVSA-N 1 2 281.359 3.052 20 30 CGEDLO C[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[C@@H]1C#N ZINC000602977729 348049411 /nfs/dbraw/zinc/04/94/11/348049411.db2.gz GIVGPWJFYNBCPL-PBHICJAKSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[C@@H]1C#N ZINC000602977729 348049412 /nfs/dbraw/zinc/04/94/12/348049412.db2.gz GIVGPWJFYNBCPL-PBHICJAKSA-N 1 2 265.360 3.359 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000602981566 348051043 /nfs/dbraw/zinc/05/10/43/348051043.db2.gz GEJLJSZBLYSMOZ-STQMWFEESA-N 1 2 261.369 3.060 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000602981566 348051044 /nfs/dbraw/zinc/05/10/44/348051044.db2.gz GEJLJSZBLYSMOZ-STQMWFEESA-N 1 2 261.369 3.060 20 30 CGEDLO C[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602980740 348051717 /nfs/dbraw/zinc/05/17/17/348051717.db2.gz UZIDNACADOROKX-GXFFZTMASA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602980740 348051719 /nfs/dbraw/zinc/05/17/19/348051719.db2.gz UZIDNACADOROKX-GXFFZTMASA-N 1 2 283.297 3.224 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000609537565 348346854 /nfs/dbraw/zinc/34/68/54/348346854.db2.gz BCMOCIMMAGFKLR-WMLDXEAASA-N 1 2 289.398 3.052 20 30 CGEDLO CCC[N@@H+](CC#N)CCCOc1cc(C)ccc1C ZINC000609806714 348354657 /nfs/dbraw/zinc/35/46/57/348354657.db2.gz CAZNSAUIEDDLNC-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO CCC[N@H+](CC#N)CCCOc1cc(C)ccc1C ZINC000609806714 348354660 /nfs/dbraw/zinc/35/46/60/348354660.db2.gz CAZNSAUIEDDLNC-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)ccn1 ZINC000610994740 348416363 /nfs/dbraw/zinc/41/63/63/348416363.db2.gz PCLKGGVURUTNKX-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)ccn1 ZINC000610994740 348416367 /nfs/dbraw/zinc/41/63/67/348416367.db2.gz PCLKGGVURUTNKX-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO Cn1nc(C[N@H+](CCC#N)CC(C)(C)C)c2ccccc21 ZINC000611268864 348433255 /nfs/dbraw/zinc/43/32/55/348433255.db2.gz QABFWQSZHMIKAQ-UHFFFAOYSA-N 1 2 284.407 3.335 20 30 CGEDLO Cn1nc(C[N@@H+](CCC#N)CC(C)(C)C)c2ccccc21 ZINC000611268864 348433261 /nfs/dbraw/zinc/43/32/61/348433261.db2.gz QABFWQSZHMIKAQ-UHFFFAOYSA-N 1 2 284.407 3.335 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(C#N)c1 ZINC000611387174 348443434 /nfs/dbraw/zinc/44/34/34/348443434.db2.gz GEGQLSWOWPEOGZ-LLVKDONJSA-N 1 2 294.314 3.052 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000612584716 348530673 /nfs/dbraw/zinc/53/06/73/348530673.db2.gz XWXFSECPLJFZDG-SNVBAGLBSA-N 1 2 259.740 3.280 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614963964 348704106 /nfs/dbraw/zinc/70/41/06/348704106.db2.gz PFTAXOAAJOLJKL-XJKSGUPXSA-N 1 2 253.349 3.245 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000614963964 348704109 /nfs/dbraw/zinc/70/41/09/348704109.db2.gz PFTAXOAAJOLJKL-XJKSGUPXSA-N 1 2 253.349 3.245 20 30 CGEDLO N#C[C@@]1(F)CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000615645586 348754194 /nfs/dbraw/zinc/75/41/94/348754194.db2.gz KKMSCXWMPIXJOW-MCIGGMRASA-N 1 2 278.293 3.293 20 30 CGEDLO N#C[C@@]1(F)CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000615645586 348754199 /nfs/dbraw/zinc/75/41/99/348754199.db2.gz KKMSCXWMPIXJOW-MCIGGMRASA-N 1 2 278.293 3.293 20 30 CGEDLO C=CCC[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000616927389 348883842 /nfs/dbraw/zinc/88/38/42/348883842.db2.gz HVIIYJYJDLSGEU-MRXNPFEDSA-N 1 2 283.375 3.118 20 30 CGEDLO C=CCC[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000616927389 348883849 /nfs/dbraw/zinc/88/38/49/348883849.db2.gz HVIIYJYJDLSGEU-MRXNPFEDSA-N 1 2 283.375 3.118 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000617039679 348903949 /nfs/dbraw/zinc/90/39/49/348903949.db2.gz KDAGPJPFPJUZPO-HIFRSBDPSA-N 1 2 283.375 3.199 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000619720208 349279044 /nfs/dbraw/zinc/27/90/44/349279044.db2.gz OJUKQCSFTNYNAN-QGZVFWFLSA-N 1 2 285.387 3.066 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000619720208 349279049 /nfs/dbraw/zinc/27/90/49/349279049.db2.gz OJUKQCSFTNYNAN-QGZVFWFLSA-N 1 2 285.387 3.066 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)ccn1 ZINC000619784269 349285312 /nfs/dbraw/zinc/28/53/12/349285312.db2.gz QIUGQHBUJYQFQR-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)ccn1 ZINC000619784269 349285316 /nfs/dbraw/zinc/28/53/16/349285316.db2.gz QIUGQHBUJYQFQR-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651104 349404566 /nfs/dbraw/zinc/40/45/66/349404566.db2.gz JOOMHAIAHAKXHT-OAHLLOKOSA-N 1 2 257.337 3.184 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC000271340726 191084104 /nfs/dbraw/zinc/08/41/04/191084104.db2.gz BYIQOASMRZRFAK-UHFFFAOYSA-N 1 2 262.300 3.312 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC000271340726 191084107 /nfs/dbraw/zinc/08/41/07/191084107.db2.gz BYIQOASMRZRFAK-UHFFFAOYSA-N 1 2 262.300 3.312 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000626569334 350319291 /nfs/dbraw/zinc/31/92/91/350319291.db2.gz YHGSIGCKDOYPFP-AWEZNQCLSA-N 1 2 273.380 3.437 20 30 CGEDLO CCCCc1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000271631395 191250355 /nfs/dbraw/zinc/25/03/55/191250355.db2.gz FPDLXBJMWUEFFB-GFCCVEGCSA-N 1 2 284.363 3.135 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1 ZINC000368274768 234296455 /nfs/dbraw/zinc/29/64/55/234296455.db2.gz XLUBSGWZZDOIMK-CQSZACIVSA-N 1 2 286.281 3.060 20 30 CGEDLO Cc1ccoc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000336434640 213296038 /nfs/dbraw/zinc/29/60/38/213296038.db2.gz ITUHDMFDDHUHKJ-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccoc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000336434640 213296040 /nfs/dbraw/zinc/29/60/40/213296040.db2.gz ITUHDMFDDHUHKJ-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1nc(C)c(C#N)cc1Cl ZINC000292705649 198382993 /nfs/dbraw/zinc/38/29/93/198382993.db2.gz SKFPIJBBRZZIQU-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1nc[nH+]c(N)c1Cl ZINC000419021232 283195185 /nfs/dbraw/zinc/19/51/85/283195185.db2.gz XZJSDNKLJLSREK-GFCCVEGCSA-N 1 2 299.765 3.073 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1[nH+]cnc(N)c1Cl ZINC000419021232 283195188 /nfs/dbraw/zinc/19/51/88/283195188.db2.gz XZJSDNKLJLSREK-GFCCVEGCSA-N 1 2 299.765 3.073 20 30 CGEDLO Cc1cc(N(C)CCOc2ccccc2C)c(C#N)c[nH+]1 ZINC000425212468 236220813 /nfs/dbraw/zinc/22/08/13/236220813.db2.gz WGFJFSMDCPTQIS-UHFFFAOYSA-N 1 2 281.359 3.085 20 30 CGEDLO Cc1cc(N(C)C[C@H]2OCCc3ccccc32)c(C#N)c[nH+]1 ZINC000425219992 236221138 /nfs/dbraw/zinc/22/11/38/236221138.db2.gz CPBRDDYWSPYQDT-GOSISDBHSA-N 1 2 293.370 3.012 20 30 CGEDLO Cc1cc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425264590 236224610 /nfs/dbraw/zinc/22/46/10/236224610.db2.gz XKWXAEYBWVHKEF-YGUOUDRMSA-N 1 2 299.324 3.320 20 30 CGEDLO N#Cc1ccccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000180278957 189248736 /nfs/dbraw/zinc/24/87/36/189248736.db2.gz STNRANGPEMPSDP-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO N#Cc1ccccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180278957 189248737 /nfs/dbraw/zinc/24/87/37/189248737.db2.gz STNRANGPEMPSDP-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)o1 ZINC000120564033 370782168 /nfs/dbraw/zinc/78/21/68/370782168.db2.gz APKCJUWHNHATBX-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)o1 ZINC000120564033 370782174 /nfs/dbraw/zinc/78/21/74/370782174.db2.gz APKCJUWHNHATBX-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccsc1 ZINC000035122963 368999690 /nfs/dbraw/zinc/99/96/90/368999690.db2.gz QCTWFXADWYRBJQ-GFCCVEGCSA-N 1 2 299.399 3.079 20 30 CGEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccsc1 ZINC000035122963 368999693 /nfs/dbraw/zinc/99/96/93/368999693.db2.gz QCTWFXADWYRBJQ-GFCCVEGCSA-N 1 2 299.399 3.079 20 30 CGEDLO C#CC[N@H+](Cc1nccs1)[C@H]1CCc2ccccc21 ZINC000127552419 370952779 /nfs/dbraw/zinc/95/27/79/370952779.db2.gz ZISYETYSVCRXQR-HNNXBMFYSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1nccs1)[C@H]1CCc2ccccc21 ZINC000127552419 370952786 /nfs/dbraw/zinc/95/27/86/370952786.db2.gz ZISYETYSVCRXQR-HNNXBMFYSA-N 1 2 268.385 3.266 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000276197292 193239570 /nfs/dbraw/zinc/23/95/70/193239570.db2.gz MSZZHLCEYAORQE-INIZCTEOSA-N 1 2 269.348 3.413 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C2CC2)o1 ZINC000062364211 369624385 /nfs/dbraw/zinc/62/43/85/369624385.db2.gz UHAPVRFYTVGMPC-UHFFFAOYSA-N 1 2 283.375 3.178 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C2CC2)o1 ZINC000062364211 369624390 /nfs/dbraw/zinc/62/43/90/369624390.db2.gz UHAPVRFYTVGMPC-UHFFFAOYSA-N 1 2 283.375 3.178 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000073605702 369861412 /nfs/dbraw/zinc/86/14/12/369861412.db2.gz WOJGXWCFSOHQQU-CQSZACIVSA-N 1 2 292.398 3.071 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000073605702 369861417 /nfs/dbraw/zinc/86/14/17/369861417.db2.gz WOJGXWCFSOHQQU-CQSZACIVSA-N 1 2 292.398 3.071 20 30 CGEDLO C=CCOCCCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000079646021 369973904 /nfs/dbraw/zinc/97/39/04/369973904.db2.gz LDCUDAOHTKBMCP-UHFFFAOYSA-N 1 2 299.374 3.008 20 30 CGEDLO C=CC[N@H+](Cc1cncs1)Cc1ccccc1F ZINC000092404550 370096885 /nfs/dbraw/zinc/09/68/85/370096885.db2.gz UFYKOAQOXBGVIB-UHFFFAOYSA-N 1 2 262.353 3.470 20 30 CGEDLO C=CC[N@@H+](Cc1cncs1)Cc1ccccc1F ZINC000092404550 370096887 /nfs/dbraw/zinc/09/68/87/370096887.db2.gz UFYKOAQOXBGVIB-UHFFFAOYSA-N 1 2 262.353 3.470 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc(C2CC2)s1)CC1CC1 ZINC000093091567 370108751 /nfs/dbraw/zinc/10/87/51/370108751.db2.gz JQOPRLDUYYTSNL-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO N#CCC[N@H+](Cc1cnc(C2CC2)s1)CC1CC1 ZINC000093091567 370108758 /nfs/dbraw/zinc/10/87/58/370108758.db2.gz JQOPRLDUYYTSNL-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000093100931 370109352 /nfs/dbraw/zinc/10/93/52/370109352.db2.gz UMOSAHCCZNAWCS-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000093100931 370109357 /nfs/dbraw/zinc/10/93/57/370109357.db2.gz UMOSAHCCZNAWCS-UHFFFAOYSA-N 1 2 261.394 3.382 20 30 CGEDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1C#N ZINC000103139069 370319599 /nfs/dbraw/zinc/31/95/99/370319599.db2.gz WEIKYGUOTVUOMO-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)cc1C#N ZINC000103139069 370319602 /nfs/dbraw/zinc/31/96/02/370319602.db2.gz WEIKYGUOTVUOMO-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO N#CC1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000112631839 370438561 /nfs/dbraw/zinc/43/85/61/370438561.db2.gz FQNYXPGQTFANJK-UHFFFAOYSA-N 1 2 293.326 3.050 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(C)o1 ZINC000130401605 371030753 /nfs/dbraw/zinc/03/07/53/371030753.db2.gz LEFDIAUSGGXLRF-UHFFFAOYSA-N 1 2 270.332 3.100 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000130401605 371030760 /nfs/dbraw/zinc/03/07/60/371030760.db2.gz LEFDIAUSGGXLRF-UHFFFAOYSA-N 1 2 270.332 3.100 20 30 CGEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(F)c(F)c1 ZINC000287775542 371704774 /nfs/dbraw/zinc/70/47/74/371704774.db2.gz NEFJVWAVBLCODN-IINYFYTJSA-N 1 2 292.333 3.061 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289358221 371755318 /nfs/dbraw/zinc/75/53/18/371755318.db2.gz NXJIKJRSTJZKQN-UHFFFAOYSA-N 1 2 279.181 3.079 20 30 CGEDLO C=C(Br)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289358221 371755322 /nfs/dbraw/zinc/75/53/22/371755322.db2.gz NXJIKJRSTJZKQN-UHFFFAOYSA-N 1 2 279.181 3.079 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000157966573 372045585 /nfs/dbraw/zinc/04/55/85/372045585.db2.gz NUMKSAIYNPQATF-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000157966573 372045588 /nfs/dbraw/zinc/04/55/88/372045588.db2.gz NUMKSAIYNPQATF-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)O[C@H](C[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000428209264 372183025 /nfs/dbraw/zinc/18/30/25/372183025.db2.gz GGLWVJWYMGARED-GDBMZVCRSA-N 1 2 260.381 3.387 20 30 CGEDLO CC(C)O[C@H](C[N@@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000428209264 372183030 /nfs/dbraw/zinc/18/30/30/372183030.db2.gz GGLWVJWYMGARED-GDBMZVCRSA-N 1 2 260.381 3.387 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000428997224 372300307 /nfs/dbraw/zinc/30/03/07/372300307.db2.gz SUEMQNFFZPXAAC-JKSUJKDBSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000428997224 372300313 /nfs/dbraw/zinc/30/03/13/372300313.db2.gz SUEMQNFFZPXAAC-JKSUJKDBSA-N 1 2 288.366 3.087 20 30 CGEDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)c1ccnc(C#N)c1 ZINC000293209414 372326763 /nfs/dbraw/zinc/32/67/63/372326763.db2.gz XJMZGZPLXWLWNM-UHFFFAOYSA-N 1 2 295.342 3.137 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000293329994 372355260 /nfs/dbraw/zinc/35/52/60/372355260.db2.gz YBBDZZMWISXDSE-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000293329994 372355268 /nfs/dbraw/zinc/35/52/68/372355268.db2.gz YBBDZZMWISXDSE-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2cscn2)C2CC2)cc1 ZINC000171065010 372707121 /nfs/dbraw/zinc/70/71/21/372707121.db2.gz FXQITXRLCWEVSI-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2cscn2)C2CC2)cc1 ZINC000171065010 372707125 /nfs/dbraw/zinc/70/71/25/372707125.db2.gz FXQITXRLCWEVSI-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000435603580 372784352 /nfs/dbraw/zinc/78/43/52/372784352.db2.gz KBNOBMFGVMEDLX-YOEHRIQHSA-N 1 2 268.360 3.050 20 30 CGEDLO N#Cc1c(Cl)cccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000295657819 372864388 /nfs/dbraw/zinc/86/43/88/372864388.db2.gz ZXZDFHMDBYGWNH-UHFFFAOYSA-N 1 2 286.766 3.250 20 30 CGEDLO N#Cc1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000172682719 373012609 /nfs/dbraw/zinc/01/26/09/373012609.db2.gz MJUJICRNSPDODO-UHFFFAOYSA-N 1 2 265.341 3.498 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1noc(C)n1 ZINC000297931888 373285448 /nfs/dbraw/zinc/28/54/48/373285448.db2.gz RFWJDMSMDSEAFH-LBPRGKRZSA-N 1 2 284.363 3.223 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1noc(C)n1 ZINC000297931888 373285452 /nfs/dbraw/zinc/28/54/52/373285452.db2.gz RFWJDMSMDSEAFH-LBPRGKRZSA-N 1 2 284.363 3.223 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175372847 373459674 /nfs/dbraw/zinc/45/96/74/373459674.db2.gz VRHUQLMJKNTKRG-APPDUMDISA-N 1 2 271.813 3.169 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175372847 373459680 /nfs/dbraw/zinc/45/96/80/373459680.db2.gz VRHUQLMJKNTKRG-APPDUMDISA-N 1 2 271.813 3.169 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449388195 373687114 /nfs/dbraw/zinc/68/71/14/373687114.db2.gz OMDIORSVUXJSDD-GFCCVEGCSA-N 1 2 269.747 3.449 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449388195 373687123 /nfs/dbraw/zinc/68/71/23/373687123.db2.gz OMDIORSVUXJSDD-GFCCVEGCSA-N 1 2 269.747 3.449 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc2occc2c1)C(=O)OCC ZINC000449656629 373838269 /nfs/dbraw/zinc/83/82/69/373838269.db2.gz LRFKUZKWFZWKAS-HNNXBMFYSA-N 1 2 287.359 3.420 20 30 CGEDLO C=CCC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000449837585 373939630 /nfs/dbraw/zinc/93/96/30/373939630.db2.gz XMKSFVVPMZIPKV-CQSZACIVSA-N 1 2 287.407 3.252 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CCC1 ZINC000450247289 374021359 /nfs/dbraw/zinc/02/13/59/374021359.db2.gz MRCYCNILTZHCBO-AWEZNQCLSA-N 1 2 290.432 3.423 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CCC1 ZINC000450247289 374021364 /nfs/dbraw/zinc/02/13/64/374021364.db2.gz MRCYCNILTZHCBO-AWEZNQCLSA-N 1 2 290.432 3.423 20 30 CGEDLO C=CC[C@@H](CO)Nc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000302825694 373977388 /nfs/dbraw/zinc/97/73/88/373977388.db2.gz HAUVIUGZIWEEGP-LBPRGKRZSA-N 1 2 277.412 3.246 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nc(COC)no1)c1ccccc1 ZINC000180259676 373984868 /nfs/dbraw/zinc/98/48/68/373984868.db2.gz DKXJQXXJCZKIQI-AWEZNQCLSA-N 1 2 287.363 3.013 20 30 CGEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)c2ccccc21 ZINC000180677756 374034136 /nfs/dbraw/zinc/03/41/36/374034136.db2.gz VMSPHXZRTMBMQJ-ZDUSSCGKSA-N 1 2 288.354 3.330 20 30 CGEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)o1 ZINC000180937677 374060228 /nfs/dbraw/zinc/06/02/28/374060228.db2.gz HOHJZICGSKGTNR-LBPRGKRZSA-N 1 2 292.379 3.093 20 30 CGEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)o1 ZINC000180937677 374060238 /nfs/dbraw/zinc/06/02/38/374060238.db2.gz HOHJZICGSKGTNR-LBPRGKRZSA-N 1 2 292.379 3.093 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@H+](CCC#N)Cc1ccco1 ZINC000450463679 374146828 /nfs/dbraw/zinc/14/68/28/374146828.db2.gz RCPRWVIWIHDDTP-SFHVURJKSA-N 1 2 298.386 3.253 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@@H+](CCC#N)Cc1ccco1 ZINC000450463679 374146833 /nfs/dbraw/zinc/14/68/33/374146833.db2.gz RCPRWVIWIHDDTP-SFHVURJKSA-N 1 2 298.386 3.253 20 30 CGEDLO COc1ccc(OC)c([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450667340 374169731 /nfs/dbraw/zinc/16/97/31/374169731.db2.gz ZVTMRQXTPGJOAW-LBPRGKRZSA-N 1 2 274.364 3.048 20 30 CGEDLO CC(C)Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000183262307 374392820 /nfs/dbraw/zinc/39/28/20/374392820.db2.gz VETAMYRKXZLMNJ-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO CC(C)Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000183262307 374392825 /nfs/dbraw/zinc/39/28/25/374392825.db2.gz VETAMYRKXZLMNJ-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO CC(C)[C@H](NC(=O)CCC1CCOCC1)c1[nH]cc[nH+]1 ZINC000328753508 374381009 /nfs/dbraw/zinc/38/10/09/374381009.db2.gz NTFAIUIIHIJDKT-AWEZNQCLSA-N 1 2 279.384 3.270 20 30 CGEDLO C[C@@]1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCCOC1 ZINC000329705476 374422877 /nfs/dbraw/zinc/42/28/77/374422877.db2.gz KIEHXJRORBJHQL-QGZVFWFLSA-N 1 2 299.374 3.350 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000183829062 374461541 /nfs/dbraw/zinc/46/15/41/374461541.db2.gz RIYCWFLNXCAHFR-CQSZACIVSA-N 1 2 296.418 3.419 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)o1 ZINC000184782125 374558586 /nfs/dbraw/zinc/55/85/86/374558586.db2.gz XRHWPYNKBBOBIR-UHFFFAOYSA-N 1 2 292.342 3.126 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)s1 ZINC000185010347 374576839 /nfs/dbraw/zinc/57/68/39/374576839.db2.gz SJSLDRJZUXRUBC-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C2CC2)O1 ZINC000470921612 375001853 /nfs/dbraw/zinc/00/18/53/375001853.db2.gz ZRZLVXYIZXSARD-DYVFJYSZSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C2CC2)O1 ZINC000470921612 375001855 /nfs/dbraw/zinc/00/18/55/375001855.db2.gz ZRZLVXYIZXSARD-DYVFJYSZSA-N 1 2 289.806 3.191 20 30 CGEDLO C=CCCCC[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000481596322 375165365 /nfs/dbraw/zinc/16/53/65/375165365.db2.gz QFFRFASYHOSDEL-MRXNPFEDSA-N 1 2 275.392 3.025 20 30 CGEDLO N#CC1(C[N@@H+]2CCCC[C@H]2c2nccs2)CCC1 ZINC000335222850 375241719 /nfs/dbraw/zinc/24/17/19/375241719.db2.gz RVXNOEIDRFQINU-LBPRGKRZSA-N 1 2 261.394 3.364 20 30 CGEDLO N#CC1(C[N@H+]2CCCC[C@H]2c2nccs2)CCC1 ZINC000335222850 375241724 /nfs/dbraw/zinc/24/17/24/375241724.db2.gz RVXNOEIDRFQINU-LBPRGKRZSA-N 1 2 261.394 3.364 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(CCC#N)CC1 ZINC000335447757 375300906 /nfs/dbraw/zinc/30/09/06/375300906.db2.gz PIEZAYYZHVAOQY-UHFFFAOYSA-N 1 2 286.379 3.246 20 30 CGEDLO N#Cc1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)cc1F ZINC000189999241 375466187 /nfs/dbraw/zinc/46/61/87/375466187.db2.gz RNPBXWGXFUXAOE-UHFFFAOYSA-N 1 2 287.244 3.374 20 30 CGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(F)c1C#N)CCC2 ZINC000335856018 375487469 /nfs/dbraw/zinc/48/74/69/375487469.db2.gz NELFMIYGTXVXQN-GFCCVEGCSA-N 1 2 284.338 3.192 20 30 CGEDLO CC(C)(CCC#N)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000495002221 375495796 /nfs/dbraw/zinc/49/57/96/375495796.db2.gz XEJCSUOGRPTXPK-AWEZNQCLSA-N 1 2 289.427 3.346 20 30 CGEDLO CCOc1c(Cl)cccc1C[N@H+](CC)CCC#N ZINC000495094800 375497603 /nfs/dbraw/zinc/49/76/03/375497603.db2.gz SNIGBGQGDMRPHX-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO CCOc1c(Cl)cccc1C[N@@H+](CC)CCC#N ZINC000495094800 375497608 /nfs/dbraw/zinc/49/76/08/375497608.db2.gz SNIGBGQGDMRPHX-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121220870 542017231 /nfs/dbraw/zinc/01/72/31/542017231.db2.gz BLARJMUWMMOUGE-HNNXBMFYSA-N 1 2 297.402 3.354 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000121220870 542017234 /nfs/dbraw/zinc/01/72/34/542017234.db2.gz BLARJMUWMMOUGE-HNNXBMFYSA-N 1 2 297.402 3.354 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)CC#Cc1ccccc1 ZINC000192068995 375693804 /nfs/dbraw/zinc/69/38/04/375693804.db2.gz KMGWEJZZQGCIRC-UHFFFAOYSA-N 1 2 272.779 3.162 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000192068995 375693807 /nfs/dbraw/zinc/69/38/07/375693807.db2.gz KMGWEJZZQGCIRC-UHFFFAOYSA-N 1 2 272.779 3.162 20 30 CGEDLO COCC[N@H+](CC#Cc1ccccc1)Cc1ccc(C)o1 ZINC000192072007 375696652 /nfs/dbraw/zinc/69/66/52/375696652.db2.gz MKCBJGJNRLEAKQ-UHFFFAOYSA-N 1 2 283.371 3.088 20 30 CGEDLO COCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(C)o1 ZINC000192072007 375696659 /nfs/dbraw/zinc/69/66/59/375696659.db2.gz MKCBJGJNRLEAKQ-UHFFFAOYSA-N 1 2 283.371 3.088 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000192173415 375706072 /nfs/dbraw/zinc/70/60/72/375706072.db2.gz UEKDKQXWKNFSQH-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000192173415 375706079 /nfs/dbraw/zinc/70/60/79/375706079.db2.gz UEKDKQXWKNFSQH-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336651646 375895005 /nfs/dbraw/zinc/89/50/05/375895005.db2.gz HYTMFRKPFNEENQ-JTQLQIEISA-N 1 2 279.181 3.163 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000336651646 375895008 /nfs/dbraw/zinc/89/50/08/375895008.db2.gz HYTMFRKPFNEENQ-JTQLQIEISA-N 1 2 279.181 3.163 20 30 CGEDLO CCC1CCC([NH2+]CCC(C)(C)C#N)(C(=O)OC)CC1 ZINC000538465013 376242549 /nfs/dbraw/zinc/24/25/49/376242549.db2.gz PXXZSDRRNLMWLK-UHFFFAOYSA-N 1 2 280.412 3.028 20 30 CGEDLO Cc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2F)n1 ZINC000223564496 376256941 /nfs/dbraw/zinc/25/69/41/376256941.db2.gz GTPMKALCHMDLLE-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cccc(C[N@H+](C)Cc2cccc(C#N)c2F)n1 ZINC000223564496 376256951 /nfs/dbraw/zinc/25/69/51/376256951.db2.gz GTPMKALCHMDLLE-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C=CC[N@@H+](Cc1c(Cl)cccc1OC)C1CC1 ZINC000338289000 376316670 /nfs/dbraw/zinc/31/66/70/376316670.db2.gz SVSVKLPNHPWNID-UHFFFAOYSA-N 1 2 251.757 3.499 20 30 CGEDLO C=CC[N@H+](Cc1c(Cl)cccc1OC)C1CC1 ZINC000338289000 376316681 /nfs/dbraw/zinc/31/66/81/376316681.db2.gz SVSVKLPNHPWNID-UHFFFAOYSA-N 1 2 251.757 3.499 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308416 206345001 /nfs/dbraw/zinc/34/50/01/206345001.db2.gz DXDQTORAUQIYMI-MEBBXXQBSA-N 1 2 284.338 3.149 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1F ZINC000334308416 206345005 /nfs/dbraw/zinc/34/50/05/206345005.db2.gz DXDQTORAUQIYMI-MEBBXXQBSA-N 1 2 284.338 3.149 20 30 CGEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)nc2ccccc12 ZINC000542810480 376580069 /nfs/dbraw/zinc/58/00/69/376580069.db2.gz ZCCMUZLQEBDQCC-UHFFFAOYSA-N 1 2 280.375 3.064 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000339755032 376835484 /nfs/dbraw/zinc/83/54/84/376835484.db2.gz DAFCAIBUQHLTSW-AWEZNQCLSA-N 1 2 286.419 3.094 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000339755032 376835492 /nfs/dbraw/zinc/83/54/92/376835492.db2.gz DAFCAIBUQHLTSW-AWEZNQCLSA-N 1 2 286.419 3.094 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000556858869 376890375 /nfs/dbraw/zinc/89/03/75/376890375.db2.gz LREFGLAEOUXXKY-BXUZGUMPSA-N 1 2 289.766 3.197 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(F)c1F ZINC000562044575 377268488 /nfs/dbraw/zinc/26/84/88/377268488.db2.gz IGVKBGRZQKXLBQ-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000248984306 377438328 /nfs/dbraw/zinc/43/83/28/377438328.db2.gz JPOGTRRIIMEWIL-OLZOCXBDSA-N 1 2 289.329 3.198 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000248984306 377438331 /nfs/dbraw/zinc/43/83/31/377438331.db2.gz JPOGTRRIIMEWIL-OLZOCXBDSA-N 1 2 289.329 3.198 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC2(CCC2)O1 ZINC000564929324 377482023 /nfs/dbraw/zinc/48/20/23/377482023.db2.gz NKVQENZYFBOPQJ-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC2(CCC2)O1 ZINC000564929324 377482030 /nfs/dbraw/zinc/48/20/30/377482030.db2.gz NKVQENZYFBOPQJ-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO N#CCCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000573250849 377554333 /nfs/dbraw/zinc/55/43/33/377554333.db2.gz GZVRIYGLFQZKFS-UHFFFAOYSA-N 1 2 280.318 3.186 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C)n1 ZINC000342631031 377699300 /nfs/dbraw/zinc/69/93/00/377699300.db2.gz KDRLAZDHYPGCIO-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C)n1 ZINC000342631031 377699307 /nfs/dbraw/zinc/69/93/07/377699307.db2.gz KDRLAZDHYPGCIO-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO Cc1cc(NCCCc2cccc(C)[nH+]2)cc(C#N)n1 ZINC000343226454 377933709 /nfs/dbraw/zinc/93/37/09/377933709.db2.gz RGKLWBUBLJOPFA-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO COc1cccc2c(N3CCC(F)(C#N)CC3)cc[nH+]c12 ZINC000343236525 377935715 /nfs/dbraw/zinc/93/57/15/377935715.db2.gz ICYZCHQMKMNQFT-UHFFFAOYSA-N 1 2 285.322 3.075 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267361063 378036265 /nfs/dbraw/zinc/03/62/65/378036265.db2.gz IFXNXFRMUVUWIV-GFCCVEGCSA-N 1 2 280.293 3.148 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267361063 378036269 /nfs/dbraw/zinc/03/62/69/378036269.db2.gz IFXNXFRMUVUWIV-GFCCVEGCSA-N 1 2 280.293 3.148 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000268136618 378049470 /nfs/dbraw/zinc/04/94/70/378049470.db2.gz PTJDZLLMTTZRTB-CQSZACIVSA-N 1 2 283.350 3.358 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000268136618 378049474 /nfs/dbraw/zinc/04/94/74/378049474.db2.gz PTJDZLLMTTZRTB-CQSZACIVSA-N 1 2 283.350 3.358 20 30 CGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000343563875 378022987 /nfs/dbraw/zinc/02/29/87/378022987.db2.gz MUSNTZSRDPNYDS-NEPJUHHUSA-N 1 2 258.340 3.437 20 30 CGEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC1(C#N)CC1 ZINC000343563875 378022992 /nfs/dbraw/zinc/02/29/92/378022992.db2.gz MUSNTZSRDPNYDS-NEPJUHHUSA-N 1 2 258.340 3.437 20 30 CGEDLO N#CC1(C[NH2+]Cc2conc2Cc2ccccc2)CCC1 ZINC000580293346 378238936 /nfs/dbraw/zinc/23/89/36/378238936.db2.gz BWIWNFOEXCKMSC-UHFFFAOYSA-N 1 2 281.359 3.049 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000582433973 378313987 /nfs/dbraw/zinc/31/39/87/378313987.db2.gz AYTNWJGNNADVAK-CQSZACIVSA-N 1 2 283.375 3.370 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000582433973 378313991 /nfs/dbraw/zinc/31/39/91/378313991.db2.gz AYTNWJGNNADVAK-CQSZACIVSA-N 1 2 283.375 3.370 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000271115993 378455588 /nfs/dbraw/zinc/45/55/88/378455588.db2.gz FMNCSABXDIYLLX-VIFPVBQESA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000271115993 378455591 /nfs/dbraw/zinc/45/55/91/378455591.db2.gz FMNCSABXDIYLLX-VIFPVBQESA-N 1 2 274.261 3.436 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000271353243 378490192 /nfs/dbraw/zinc/49/01/92/378490192.db2.gz WQIGCNINNXAGPQ-MGYLAYISSA-N 1 2 277.364 3.023 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)o1 ZINC000370466196 379020469 /nfs/dbraw/zinc/02/04/69/379020469.db2.gz XDHKLCFTWAEJFX-CYBMUJFWSA-N 1 2 274.707 3.028 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000276953834 379029321 /nfs/dbraw/zinc/02/93/21/379029321.db2.gz QXIVHGRBVMJJAI-HNNXBMFYSA-N 1 2 257.337 3.184 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(C#N)cs2)n1 ZINC000348833343 379070224 /nfs/dbraw/zinc/07/02/24/379070224.db2.gz MMZKDFBEDFZKEK-CYBMUJFWSA-N 1 2 288.376 3.038 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(C#N)cs2)n1 ZINC000348833343 379070233 /nfs/dbraw/zinc/07/02/33/379070233.db2.gz MMZKDFBEDFZKEK-CYBMUJFWSA-N 1 2 288.376 3.038 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCCCNc2cccc[nH+]2)c1 ZINC000347398191 218222052 /nfs/dbraw/zinc/22/20/52/218222052.db2.gz HONXXKLAELKGGG-UHFFFAOYSA-N 1 2 294.358 3.070 20 30 CGEDLO C[N@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000278714166 194118727 /nfs/dbraw/zinc/11/87/27/194118727.db2.gz UOOYWUMGTWBRDU-UHFFFAOYSA-N 1 2 283.375 3.476 20 30 CGEDLO C[N@@H+](Cc1cc(C(C)(C)C)on1)Cc1ccc(C#N)cc1 ZINC000278714166 194118729 /nfs/dbraw/zinc/11/87/29/194118729.db2.gz UOOYWUMGTWBRDU-UHFFFAOYSA-N 1 2 283.375 3.476 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)no1 ZINC000371395073 379155437 /nfs/dbraw/zinc/15/54/37/379155437.db2.gz DDJWVTIHNMIUDI-CQSZACIVSA-N 1 2 273.361 3.253 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)no1 ZINC000371395073 379155450 /nfs/dbraw/zinc/15/54/50/379155450.db2.gz DDJWVTIHNMIUDI-CQSZACIVSA-N 1 2 273.361 3.253 20 30 CGEDLO N#CCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000371821052 379176624 /nfs/dbraw/zinc/17/66/24/379176624.db2.gz TVPJUYGPAWCZDM-UHFFFAOYSA-N 1 2 252.317 3.218 20 30 CGEDLO N#CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000371821052 379176633 /nfs/dbraw/zinc/17/66/33/379176633.db2.gz TVPJUYGPAWCZDM-UHFFFAOYSA-N 1 2 252.317 3.218 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccon1 ZINC000349830348 379409487 /nfs/dbraw/zinc/40/94/87/379409487.db2.gz FQDJSYHCUWPJFH-UWVGGRQHSA-N 1 2 259.284 3.097 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(C#N)c(F)c1 ZINC000349830350 379409546 /nfs/dbraw/zinc/40/95/46/379409546.db2.gz FQDJSYHCUWPJFH-ZJUUUORDSA-N 1 2 259.284 3.097 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000640029541 379693772 /nfs/dbraw/zinc/69/37/72/379693772.db2.gz IXDSOSSGXQKIHK-CVEARBPZSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000640029541 379693784 /nfs/dbraw/zinc/69/37/84/379693784.db2.gz IXDSOSSGXQKIHK-CVEARBPZSA-N 1 2 256.349 3.013 20 30 CGEDLO Cc1ccc(C2CCN(c3cccnc3C#N)CC2)c[nH+]1 ZINC000377980984 379761387 /nfs/dbraw/zinc/76/13/87/379761387.db2.gz CEEYOVDTYOOMBP-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)no1 ZINC000378093780 379776144 /nfs/dbraw/zinc/77/61/44/379776144.db2.gz BGKKUNCNLJLUQI-MRXNPFEDSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)no1 ZINC000378093780 379776148 /nfs/dbraw/zinc/77/61/48/379776148.db2.gz BGKKUNCNLJLUQI-MRXNPFEDSA-N 1 2 285.322 3.331 20 30 CGEDLO C=CCC[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000193617529 542272672 /nfs/dbraw/zinc/27/26/72/542272672.db2.gz OOELGWUQIJWUCD-INIZCTEOSA-N 1 2 283.375 3.166 20 30 CGEDLO C=CCC[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000193617529 542272674 /nfs/dbraw/zinc/27/26/74/542272674.db2.gz OOELGWUQIJWUCD-INIZCTEOSA-N 1 2 283.375 3.166 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000352466777 379827070 /nfs/dbraw/zinc/82/70/70/379827070.db2.gz FRNORILQMHWUBV-UHFFFAOYSA-N 1 2 252.720 3.168 20 30 CGEDLO Cc1cccnc1[C@@H]([NH2+]Cc1nc(C#N)cs1)C(C)C ZINC000352841309 379996569 /nfs/dbraw/zinc/99/65/69/379996569.db2.gz OKKIFQDLCPETEM-AWEZNQCLSA-N 1 2 286.404 3.205 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccccc2OC2CCC2)n1 ZINC000352850637 380004629 /nfs/dbraw/zinc/00/46/29/380004629.db2.gz YJVLJCQGTWTNIY-UHFFFAOYSA-N 1 2 299.399 3.236 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnoc1C ZINC000352953573 380054820 /nfs/dbraw/zinc/05/48/20/380054820.db2.gz QSVWFJPTBFHGEI-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnoc1C ZINC000352953573 380054825 /nfs/dbraw/zinc/05/48/25/380054825.db2.gz QSVWFJPTBFHGEI-UHFFFAOYSA-N 1 2 288.395 3.339 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000267899826 190361755 /nfs/dbraw/zinc/36/17/55/190361755.db2.gz VVQNXNMZYBZVJE-LBPRGKRZSA-N 1 2 278.783 3.341 20 30 CGEDLO C[C@H](CCC#N)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000411390583 380142313 /nfs/dbraw/zinc/14/23/13/380142313.db2.gz AIOQJJZMFAZHSA-HUUCEWRRSA-N 1 2 289.398 3.197 20 30 CGEDLO C[C@@H](CCC#N)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000411535366 380148294 /nfs/dbraw/zinc/14/82/94/380148294.db2.gz PZNFELFALBTJAQ-RYUDHWBXSA-N 1 2 276.384 3.460 20 30 CGEDLO CC[C@@H](C)[C@H]([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411536268 380148940 /nfs/dbraw/zinc/14/89/40/380148940.db2.gz QSWNOZHWGPSBIP-KGLIPLIRSA-N 1 2 280.412 3.028 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnccn1 ZINC000411190584 380133342 /nfs/dbraw/zinc/13/33/42/380133342.db2.gz HWNDLBUFUPOZPS-CYBMUJFWSA-N 1 2 298.346 3.134 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnccn1 ZINC000411190584 380133344 /nfs/dbraw/zinc/13/33/44/380133344.db2.gz HWNDLBUFUPOZPS-CYBMUJFWSA-N 1 2 298.346 3.134 20 30 CGEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)cc(Cl)c1OC ZINC000354018857 380282393 /nfs/dbraw/zinc/28/23/93/380282393.db2.gz RXGOAXXZOYEBSB-UHFFFAOYSA-N 1 2 296.798 3.339 20 30 CGEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(Cl)c1OC ZINC000354018857 380282397 /nfs/dbraw/zinc/28/23/97/380282397.db2.gz RXGOAXXZOYEBSB-UHFFFAOYSA-N 1 2 296.798 3.339 20 30 CGEDLO CCc1cc(N)nc(S[C@@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000279053905 194264336 /nfs/dbraw/zinc/26/43/36/194264336.db2.gz HSEOOYHMUTXNMC-JTQLQIEISA-N 1 2 284.388 3.346 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354035046 380289562 /nfs/dbraw/zinc/28/95/62/380289562.db2.gz VGLMUYLUSZEWFT-LBPRGKRZSA-N 1 2 277.437 3.466 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)s1 ZINC000354035046 380289568 /nfs/dbraw/zinc/28/95/68/380289568.db2.gz VGLMUYLUSZEWFT-LBPRGKRZSA-N 1 2 277.437 3.466 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000354034538 380290253 /nfs/dbraw/zinc/29/02/53/380290253.db2.gz RUALBAQPAXDZHT-HNNXBMFYSA-N 1 2 297.402 3.493 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000354034538 380290258 /nfs/dbraw/zinc/29/02/58/380290258.db2.gz RUALBAQPAXDZHT-HNNXBMFYSA-N 1 2 297.402 3.493 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356485581 380801388 /nfs/dbraw/zinc/80/13/88/380801388.db2.gz XPUKNRVSMSIJMJ-HIFRSBDPSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000356485581 380801393 /nfs/dbraw/zinc/80/13/93/380801393.db2.gz XPUKNRVSMSIJMJ-HIFRSBDPSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000358281295 381300145 /nfs/dbraw/zinc/30/01/45/381300145.db2.gz ASLGXVYXJQNNSH-QGZVFWFLSA-N 1 2 295.386 3.442 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000358305110 381301871 /nfs/dbraw/zinc/30/18/71/381301871.db2.gz WYRPKEZPNFHAIX-CYBMUJFWSA-N 1 2 255.321 3.123 20 30 CGEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CCC2)CC1 ZINC000367519329 533366477 /nfs/dbraw/zinc/36/64/77/533366477.db2.gz NRYPBKUACXJHFM-INIZCTEOSA-N 1 2 298.386 3.038 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC000428310414 533455727 /nfs/dbraw/zinc/45/57/27/533455727.db2.gz HJCOYZBAQGYNOE-LLVKDONJSA-N 1 2 299.305 3.456 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000190519152 130114325 /nfs/dbraw/zinc/11/43/25/130114325.db2.gz BRRNMJNHGSPBIQ-GOSISDBHSA-N 1 2 299.418 3.453 20 30 CGEDLO C=C[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000289813304 392433065 /nfs/dbraw/zinc/43/30/65/392433065.db2.gz OPGJNXKUQJRXFT-SKDRFNHKSA-N 1 2 290.190 3.287 20 30 CGEDLO CCc1[nH+]c2ccccc2n1C[C@H](C#N)CCC#N ZINC000120992254 392405129 /nfs/dbraw/zinc/40/51/29/392405129.db2.gz RNWATIFXANLIQH-LBPRGKRZSA-N 1 2 252.321 3.042 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@]2(C)CCCS2)c1O ZINC000121018147 392406066 /nfs/dbraw/zinc/40/60/66/392406066.db2.gz XOHDKQSKALSGHG-AHSSXEFNSA-N 1 2 265.378 3.105 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC(C)(C)SC)c1O ZINC000174445182 392640853 /nfs/dbraw/zinc/64/08/53/392640853.db2.gz TXAHIKVNDWBCPC-OQLLNIDSSA-N 1 2 267.394 3.351 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000179370187 392699953 /nfs/dbraw/zinc/69/99/53/392699953.db2.gz AOSCFYZZXDUSLQ-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000179370187 392699959 /nfs/dbraw/zinc/69/99/59/392699959.db2.gz AOSCFYZZXDUSLQ-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@H+](CC2(C#N)CC2)C1 ZINC000337433245 392885041 /nfs/dbraw/zinc/88/50/41/392885041.db2.gz BFHOVUIAWSBHEL-INIZCTEOSA-N 1 2 258.340 3.169 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000337433245 392885044 /nfs/dbraw/zinc/88/50/44/392885044.db2.gz BFHOVUIAWSBHEL-INIZCTEOSA-N 1 2 258.340 3.169 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1cncnc1OC ZINC000648029564 392878506 /nfs/dbraw/zinc/87/85/06/392878506.db2.gz LZGYPHMRJWZWHB-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cncnc1OC ZINC000648029564 392878511 /nfs/dbraw/zinc/87/85/11/392878511.db2.gz LZGYPHMRJWZWHB-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)ccc1F ZINC000339059266 392942691 /nfs/dbraw/zinc/94/26/91/392942691.db2.gz IUTPTTRQGRXVFB-LXZKKBNFSA-N 1 2 288.366 3.200 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)ccc1F ZINC000339059266 392942696 /nfs/dbraw/zinc/94/26/96/392942696.db2.gz IUTPTTRQGRXVFB-LXZKKBNFSA-N 1 2 288.366 3.200 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ccsc2Cl)CC1 ZINC000342845836 393011520 /nfs/dbraw/zinc/01/15/20/393011520.db2.gz XUYNNYUQDQOKGX-UHFFFAOYSA-N 1 2 284.812 3.154 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cncs1 ZINC000348868569 393134816 /nfs/dbraw/zinc/13/48/16/393134816.db2.gz KVNDWUIVVLNZIU-UHFFFAOYSA-N 1 2 290.436 3.499 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cncs1 ZINC000348868569 393134821 /nfs/dbraw/zinc/13/48/21/393134821.db2.gz KVNDWUIVVLNZIU-UHFFFAOYSA-N 1 2 290.436 3.499 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000361112849 393676553 /nfs/dbraw/zinc/67/65/53/393676553.db2.gz JUAOTMBNMCMSPC-UHFFFAOYSA-N 1 2 288.354 3.030 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000361112849 393676556 /nfs/dbraw/zinc/67/65/56/393676556.db2.gz JUAOTMBNMCMSPC-UHFFFAOYSA-N 1 2 288.354 3.030 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNc1ncc(C#N)cc1Cl ZINC000361067557 393664982 /nfs/dbraw/zinc/66/49/82/393664982.db2.gz RNXVMKAGMTXGQK-UHFFFAOYSA-N 1 2 289.770 3.071 20 30 CGEDLO Cc1cc(N2CC[C@@H](C3CCCC3)C2)c(C#N)c[nH+]1 ZINC000425271971 393690810 /nfs/dbraw/zinc/69/08/10/393690810.db2.gz VWRDBBSZGWVQEX-CQSZACIVSA-N 1 2 255.365 3.278 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)s1 ZINC000443671566 393770309 /nfs/dbraw/zinc/77/03/09/393770309.db2.gz CHFIEQNZGAOUMK-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2cccc(C#N)c2)c(C)s1 ZINC000443671566 393770312 /nfs/dbraw/zinc/77/03/12/393770312.db2.gz CHFIEQNZGAOUMK-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO CSc1ccc(NCc2ccc(C#N)c(C)c2)[nH+]c1 ZINC000443998395 393782142 /nfs/dbraw/zinc/78/21/42/393782142.db2.gz UGYAEFOXEZVQPV-UHFFFAOYSA-N 1 2 269.373 3.018 20 30 CGEDLO C=CCN(Cc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667484474 542875580 /nfs/dbraw/zinc/87/55/80/542875580.db2.gz NESWQIFGHAYQDH-UHFFFAOYSA-N 1 2 273.405 3.079 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668161858 542978274 /nfs/dbraw/zinc/97/82/74/542978274.db2.gz HMGZAUCVHQQYNK-CQSZACIVSA-N 1 2 284.363 3.215 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000076071799 165108538 /nfs/dbraw/zinc/10/85/38/165108538.db2.gz HZISOTBBYZQLKN-CQSZACIVSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000076071799 165108542 /nfs/dbraw/zinc/10/85/42/165108542.db2.gz HZISOTBBYZQLKN-CQSZACIVSA-N 1 2 264.369 3.025 20 30 CGEDLO CC(C)[C@@H](Nc1snc(Cl)c1C#N)c1[nH]cc[nH+]1 ZINC000285569342 196330500 /nfs/dbraw/zinc/33/05/00/196330500.db2.gz JSDJCCADPYDQSS-MRVPVSSYSA-N 1 2 281.772 3.200 20 30 CGEDLO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000127504009 287289234 /nfs/dbraw/zinc/28/92/34/287289234.db2.gz KCXIQAGZEJZVLV-NWDGAFQWSA-N 1 2 284.363 3.476 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000347043138 226026694 /nfs/dbraw/zinc/02/66/94/226026694.db2.gz CZOUXSYAOIPZGO-ZWKOTPCHSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000347043138 226026697 /nfs/dbraw/zinc/02/66/97/226026697.db2.gz CZOUXSYAOIPZGO-ZWKOTPCHSA-N 1 2 295.361 3.492 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cc(OC)no1)c1ccc(F)c(F)c1 ZINC000660311678 419124328 /nfs/dbraw/zinc/12/43/28/419124328.db2.gz IXMFYKRFZVLUDH-HNNXBMFYSA-N 1 2 294.301 3.368 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000661330067 419250851 /nfs/dbraw/zinc/25/08/51/419250851.db2.gz FWRLKLVQXMFSQO-OAHLLOKOSA-N 1 2 287.407 3.196 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C2CC2)s1)C(C)(C)C ZINC000661757339 419294710 /nfs/dbraw/zinc/29/47/10/419294710.db2.gz FUCVHMVGRRKCEH-UHFFFAOYSA-N 1 2 251.399 3.202 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C2CC2)s1)C(C)(C)C ZINC000661757339 419294712 /nfs/dbraw/zinc/29/47/12/419294712.db2.gz FUCVHMVGRRKCEH-UHFFFAOYSA-N 1 2 251.399 3.202 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2cccc(F)c2)C2CC2)n1 ZINC000356071046 228109183 /nfs/dbraw/zinc/10/91/83/228109183.db2.gz YXMNWABPTBVHTN-UHFFFAOYSA-N 1 2 287.363 3.318 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2cccc(F)c2)C2CC2)n1 ZINC000356071046 228109185 /nfs/dbraw/zinc/10/91/85/228109185.db2.gz YXMNWABPTBVHTN-UHFFFAOYSA-N 1 2 287.363 3.318 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000352087489 228181363 /nfs/dbraw/zinc/18/13/63/228181363.db2.gz NVWZRTRIPJWKSG-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000352087489 228181364 /nfs/dbraw/zinc/18/13/64/228181364.db2.gz NVWZRTRIPJWKSG-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2[nH+]1 ZINC000448810823 260785556 /nfs/dbraw/zinc/78/55/56/260785556.db2.gz OBNDILHWUJXBCI-PIGZYNQJSA-N 1 2 296.374 3.394 20 30 CGEDLO CCNC(=O)C(C)(C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000157190016 261142371 /nfs/dbraw/zinc/14/23/71/261142371.db2.gz IWCWXCYZCALBPC-YBFXNURJSA-N 1 2 298.386 3.127 20 30 CGEDLO C[C@@H](CC#N)[NH+](C)Cc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000161761977 261259617 /nfs/dbraw/zinc/25/96/17/261259617.db2.gz CIIYJIPMIGTZDZ-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](CC#N)[NH+](C)Cc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161761977 261259619 /nfs/dbraw/zinc/25/96/19/261259619.db2.gz CIIYJIPMIGTZDZ-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](CC#N)N(C)Cc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161761977 261259623 /nfs/dbraw/zinc/25/96/23/261259623.db2.gz CIIYJIPMIGTZDZ-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](CC#N)N(C)Cc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000161761977 261259626 /nfs/dbraw/zinc/25/96/26/261259626.db2.gz CIIYJIPMIGTZDZ-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccco1 ZINC000184156297 262010951 /nfs/dbraw/zinc/01/09/51/262010951.db2.gz YMNBQZZAERWOOZ-LSDHHAIUSA-N 1 2 289.379 3.026 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186689978 262105421 /nfs/dbraw/zinc/10/54/21/262105421.db2.gz PCVCFIBNDFLHKA-LBPRGKRZSA-N 1 2 274.364 3.066 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186689978 262105423 /nfs/dbraw/zinc/10/54/23/262105423.db2.gz PCVCFIBNDFLHKA-LBPRGKRZSA-N 1 2 274.364 3.066 20 30 CGEDLO COc1ccccc1/C=C/C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354045530 262357488 /nfs/dbraw/zinc/35/74/88/262357488.db2.gz VKDUTZZKYVPMGD-HZRUHFOJSA-N 1 2 270.376 3.332 20 30 CGEDLO COc1ccccc1/C=C/C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354045530 262357489 /nfs/dbraw/zinc/35/74/89/262357489.db2.gz VKDUTZZKYVPMGD-HZRUHFOJSA-N 1 2 270.376 3.332 20 30 CGEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000414108716 262806458 /nfs/dbraw/zinc/80/64/58/262806458.db2.gz UFZJGUDRLUAGQQ-XJKSGUPXSA-N 1 2 268.364 3.116 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272502705 263005447 /nfs/dbraw/zinc/00/54/47/263005447.db2.gz JAMKGXXPNICWBK-UHFFFAOYSA-N 1 2 294.402 3.170 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272502705 263005448 /nfs/dbraw/zinc/00/54/48/263005448.db2.gz JAMKGXXPNICWBK-UHFFFAOYSA-N 1 2 294.402 3.170 20 30 CGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C)(C#N)CC1 ZINC000272640345 263007856 /nfs/dbraw/zinc/00/78/56/263007856.db2.gz XMOCYJFGMCNZRF-GFCCVEGCSA-N 1 2 296.374 3.022 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1C1CCCCC1 ZINC000273486255 263017473 /nfs/dbraw/zinc/01/74/73/263017473.db2.gz LXVSGUJRKWLIRH-UHFFFAOYSA-N 1 2 274.412 3.203 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1C1CCCCC1 ZINC000273486255 263017474 /nfs/dbraw/zinc/01/74/74/263017474.db2.gz LXVSGUJRKWLIRH-UHFFFAOYSA-N 1 2 274.412 3.203 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nc(Cc2ccccc2)no1 ZINC000274499834 263024898 /nfs/dbraw/zinc/02/48/98/263024898.db2.gz KHXKQHDTZARRET-AEGPPILISA-N 1 2 296.374 3.003 20 30 CGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(C)(C#N)CC1 ZINC000284124224 263085945 /nfs/dbraw/zinc/08/59/45/263085945.db2.gz NUYKRCXYHUQPJH-ZDUSSCGKSA-N 1 2 296.374 3.423 20 30 CGEDLO C=CCCCC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000287062087 263100745 /nfs/dbraw/zinc/10/07/45/263100745.db2.gz UDDQLZKOUGTOLG-UHFFFAOYSA-N 1 2 263.337 3.268 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000292217967 263129653 /nfs/dbraw/zinc/12/96/53/263129653.db2.gz OUOSCLFWSUMXJV-LJQANCHMSA-N 1 2 294.398 3.145 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000292217967 263129654 /nfs/dbraw/zinc/12/96/54/263129654.db2.gz OUOSCLFWSUMXJV-LJQANCHMSA-N 1 2 294.398 3.145 20 30 CGEDLO CC(C)O[C@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000292431991 263132101 /nfs/dbraw/zinc/13/21/01/263132101.db2.gz MELXHFDJGWDZNW-GDBMZVCRSA-N 1 2 260.381 3.244 20 30 CGEDLO CC(C)O[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000292431991 263132102 /nfs/dbraw/zinc/13/21/02/263132102.db2.gz MELXHFDJGWDZNW-GDBMZVCRSA-N 1 2 260.381 3.244 20 30 CGEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000292916217 263136289 /nfs/dbraw/zinc/13/62/89/263136289.db2.gz FVYPXFSBSJTXQJ-KGLIPLIRSA-N 1 2 295.386 3.078 20 30 CGEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000292916217 263136290 /nfs/dbraw/zinc/13/62/90/263136290.db2.gz FVYPXFSBSJTXQJ-KGLIPLIRSA-N 1 2 295.386 3.078 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000393795960 263176304 /nfs/dbraw/zinc/17/63/04/263176304.db2.gz ITPNOPVHYCXHOB-CABCVRRESA-N 1 2 261.365 3.235 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000298891185 263227477 /nfs/dbraw/zinc/22/74/77/263227477.db2.gz LGURZDLPRFNSTM-ZDUSSCGKSA-N 1 2 298.365 3.062 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000298891185 263227478 /nfs/dbraw/zinc/22/74/78/263227478.db2.gz LGURZDLPRFNSTM-ZDUSSCGKSA-N 1 2 298.365 3.062 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000342001614 263374930 /nfs/dbraw/zinc/37/49/30/263374930.db2.gz KUKIOFNXJOLNAB-UHFFFAOYSA-N 1 2 282.746 3.070 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000331322774 264189993 /nfs/dbraw/zinc/18/99/93/264189993.db2.gz FMWYIIVIMSXPBH-GOEBONIOSA-N 1 2 285.391 3.030 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000128592770 264299995 /nfs/dbraw/zinc/29/99/95/264299995.db2.gz CAJXHDKJVUAHMI-CQSZACIVSA-N 1 2 273.380 3.232 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531841226 269989167 /nfs/dbraw/zinc/98/91/67/269989167.db2.gz HQAORTDRPQXOLJ-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531841226 269989168 /nfs/dbraw/zinc/98/91/68/269989168.db2.gz HQAORTDRPQXOLJ-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO C=C[C@](C)(CC)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000288920220 264695087 /nfs/dbraw/zinc/69/50/87/264695087.db2.gz HOLIOBLREUKWED-MRXNPFEDSA-N 1 2 295.346 3.171 20 30 CGEDLO Cc1cc(N2CCC[C@@H](Nc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000521033691 270100132 /nfs/dbraw/zinc/10/01/32/270100132.db2.gz YPSAOWBTOVITFG-QGZVFWFLSA-N 1 2 292.386 3.343 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000356913709 266211659 /nfs/dbraw/zinc/21/16/59/266211659.db2.gz HDSZUQNSUCKVIX-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000358281284 266447977 /nfs/dbraw/zinc/44/79/77/266447977.db2.gz ASLGXVYXJQNNSH-KRWDZBQOSA-N 1 2 295.386 3.442 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000358281218 266448053 /nfs/dbraw/zinc/44/80/53/266448053.db2.gz AJGMFDNCOSIYBG-AWEZNQCLSA-N 1 2 276.380 3.264 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000367837773 267121168 /nfs/dbraw/zinc/12/11/68/267121168.db2.gz VRTMHQBNCXGBKY-NXEZZACHSA-N 1 2 296.321 3.058 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3ncccc3Cl)CC2)c1 ZINC000528439425 270165442 /nfs/dbraw/zinc/16/54/42/270165442.db2.gz VREPQWYIPXWUST-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2F)CCC1 ZINC000418145345 267366154 /nfs/dbraw/zinc/36/61/54/267366154.db2.gz XNQGEHYOKLCFHV-UHFFFAOYSA-N 1 2 252.720 3.263 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308408 278282350 /nfs/dbraw/zinc/28/23/50/278282350.db2.gz DXDQTORAUQIYMI-BONVTDFDSA-N 1 2 284.338 3.149 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1F ZINC000334308408 278282351 /nfs/dbraw/zinc/28/23/51/278282351.db2.gz DXDQTORAUQIYMI-BONVTDFDSA-N 1 2 284.338 3.149 20 30 CGEDLO CCCCCCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000268970314 328187959 /nfs/dbraw/zinc/18/79/59/328187959.db2.gz DBRIUJQEBRGRQV-UHFFFAOYSA-N 1 2 279.428 3.482 20 30 CGEDLO Cc1cc(N(C)C[C@@H](C)C#N)c2cc(F)ccc2[nH+]1 ZINC000271629086 328197132 /nfs/dbraw/zinc/19/71/32/328197132.db2.gz NPEZMKIBFKJXCX-JTQLQIEISA-N 1 2 257.312 3.278 20 30 CGEDLO CC(C)(O)COc1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000274207693 328209455 /nfs/dbraw/zinc/20/94/55/328209455.db2.gz MPVFIRIIFSOVMK-DZGCQCFKSA-N 1 2 288.391 3.331 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1F ZINC000584035564 326903464 /nfs/dbraw/zinc/90/34/64/326903464.db2.gz KDHTWKSMHJOYEN-ZETOZRRWSA-N 1 2 284.338 3.250 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnn1CC ZINC000119936734 327296051 /nfs/dbraw/zinc/29/60/51/327296051.db2.gz VQGBWKXFICBZHO-UHFFFAOYSA-N 1 2 261.394 3.153 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnn1CC ZINC000119936734 327296052 /nfs/dbraw/zinc/29/60/52/327296052.db2.gz VQGBWKXFICBZHO-UHFFFAOYSA-N 1 2 261.394 3.153 20 30 CGEDLO CC[C@H](C#N)[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000122253576 327361738 /nfs/dbraw/zinc/36/17/38/327361738.db2.gz JGPMMPOCYWRXQL-HUUCEWRRSA-N 1 2 260.381 3.154 20 30 CGEDLO Cc1cccn2c(CN(CCC#N)Cc3ccco3)c[nH+]c12 ZINC000159599118 327545703 /nfs/dbraw/zinc/54/57/03/327545703.db2.gz CZMVBUAXFMYASV-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000173539876 329148793 /nfs/dbraw/zinc/14/87/93/329148793.db2.gz CCOXTUISGINOSF-HZPDHXFCSA-N 1 2 293.455 3.038 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000173539876 329148794 /nfs/dbraw/zinc/14/87/94/329148794.db2.gz CCOXTUISGINOSF-HZPDHXFCSA-N 1 2 293.455 3.038 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186467561 329343051 /nfs/dbraw/zinc/34/30/51/329343051.db2.gz SJPOMPMPLQRMOA-UHFFFAOYSA-N 1 2 290.798 3.143 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186467561 329343052 /nfs/dbraw/zinc/34/30/52/329343052.db2.gz SJPOMPMPLQRMOA-UHFFFAOYSA-N 1 2 290.798 3.143 20 30 CGEDLO Cc1cc2ccccc2[nH+]c1NCC1(CC#N)CC1 ZINC000583787904 329477768 /nfs/dbraw/zinc/47/77/68/329477768.db2.gz AUJOVJAYOCWFCI-UHFFFAOYSA-N 1 2 251.333 3.071 20 30 CGEDLO CCn1ccnc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000533038265 330325822 /nfs/dbraw/zinc/32/58/22/330325822.db2.gz MZXHISLARBFYMI-OAHLLOKOSA-N 1 2 268.364 3.038 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000424531669 330368313 /nfs/dbraw/zinc/36/83/13/330368313.db2.gz AMIZHCGXEPVKOP-UHFFFAOYSA-N 1 2 285.391 3.063 20 30 CGEDLO N#CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000057906218 330381107 /nfs/dbraw/zinc/38/11/07/330381107.db2.gz GYCMATMKSFTAFQ-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000424757391 330469281 /nfs/dbraw/zinc/46/92/81/330469281.db2.gz QYVBTMVJBHGSLM-UHFFFAOYSA-N 1 2 283.375 3.295 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000443614693 330802863 /nfs/dbraw/zinc/80/28/63/330802863.db2.gz HABAOAJZSHLHCM-UHFFFAOYSA-N 1 2 289.329 3.303 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449573635 330938168 /nfs/dbraw/zinc/93/81/68/330938168.db2.gz RKKMSTXAZJZYRM-ZFWWWQNUSA-N 1 2 283.375 3.244 20 30 CGEDLO C=CCC[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(=O)OCC ZINC000449655176 330942276 /nfs/dbraw/zinc/94/22/76/330942276.db2.gz GNHJOZZYSLAWJV-OFLPRAFFSA-N 1 2 287.403 3.420 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(=O)OCC ZINC000449657208 330942384 /nfs/dbraw/zinc/94/23/84/330942384.db2.gz OAZNLHFBHNGIHO-MRXNPFEDSA-N 1 2 286.375 3.155 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450859153 331003312 /nfs/dbraw/zinc/00/33/12/331003312.db2.gz MGDFNAGMRIXOKE-IRXDYDNUSA-N 1 2 286.419 3.258 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000450859153 331003313 /nfs/dbraw/zinc/00/33/13/331003313.db2.gz MGDFNAGMRIXOKE-IRXDYDNUSA-N 1 2 286.419 3.258 20 30 CGEDLO N#C[C@@H]1[N@H+](CC23CCC(CC2)C3)CCC[C@@]12CCCCO2 ZINC000450874685 331004149 /nfs/dbraw/zinc/00/41/49/331004149.db2.gz DMRQDLJEUKSERC-IKJBURDNSA-N 1 2 288.435 3.494 20 30 CGEDLO N#C[C@@H]1[N@@H+](CC23CCC(CC2)C3)CCC[C@@]12CCCCO2 ZINC000450874685 331004150 /nfs/dbraw/zinc/00/41/50/331004150.db2.gz DMRQDLJEUKSERC-IKJBURDNSA-N 1 2 288.435 3.494 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454815254 331154226 /nfs/dbraw/zinc/15/42/26/331154226.db2.gz SFPGENJDWYAIDE-ZDUSSCGKSA-N 1 2 275.396 3.242 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccsc2)oc1C ZINC000490780316 332115298 /nfs/dbraw/zinc/11/52/98/332115298.db2.gz JSKGULNRWMUKNL-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO C#CC[N@H+](CC)Cc1nc(-c2ccsc2)oc1C ZINC000490780316 332115299 /nfs/dbraw/zinc/11/52/99/332115299.db2.gz JSKGULNRWMUKNL-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1F ZINC000491304506 332186126 /nfs/dbraw/zinc/18/61/26/332186126.db2.gz GMQNPDKNZJMZHF-AWEZNQCLSA-N 1 2 262.715 3.271 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(CC)o1)c1ccc(F)cc1 ZINC000491535505 332231337 /nfs/dbraw/zinc/23/13/37/332231337.db2.gz CGRJBGGSBBBIKQ-INIZCTEOSA-N 1 2 257.308 3.445 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000491644748 332262822 /nfs/dbraw/zinc/26/28/22/332262822.db2.gz LKLGJILXPBKDCS-GFCCVEGCSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccccc2)s1 ZINC000491644748 332262823 /nfs/dbraw/zinc/26/28/23/332262823.db2.gz LKLGJILXPBKDCS-GFCCVEGCSA-N 1 2 256.374 3.264 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000309579634 333368730 /nfs/dbraw/zinc/36/87/30/333368730.db2.gz PXKHAMXPDDUVPE-UHFFFAOYSA-N 1 2 255.148 3.387 20 30 CGEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1F ZINC000545927696 334007017 /nfs/dbraw/zinc/00/70/17/334007017.db2.gz VNHYGOJXHRNVEB-UHFFFAOYSA-N 1 2 255.296 3.207 20 30 CGEDLO N#CCC[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000135119492 334116484 /nfs/dbraw/zinc/11/64/84/334116484.db2.gz ZLPJUXQMRRYNBE-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO N#CCC[N@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000135119492 334116486 /nfs/dbraw/zinc/11/64/86/334116486.db2.gz ZLPJUXQMRRYNBE-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000136412622 334154321 /nfs/dbraw/zinc/15/43/21/334154321.db2.gz GIMNCMZZURPURN-UHFFFAOYSA-N 1 2 278.783 3.399 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000136412622 334154322 /nfs/dbraw/zinc/15/43/22/334154322.db2.gz GIMNCMZZURPURN-UHFFFAOYSA-N 1 2 278.783 3.399 20 30 CGEDLO C=CCOCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549693554 334201882 /nfs/dbraw/zinc/20/18/82/334201882.db2.gz PDULWFYMCRDPIJ-OAHLLOKOSA-N 1 2 283.774 3.413 20 30 CGEDLO C=CCOCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000549693554 334201883 /nfs/dbraw/zinc/20/18/83/334201883.db2.gz PDULWFYMCRDPIJ-OAHLLOKOSA-N 1 2 283.774 3.413 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000550127513 334213947 /nfs/dbraw/zinc/21/39/47/334213947.db2.gz DQZHFRADLYUNIU-UHFFFAOYSA-N 1 2 283.375 3.315 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000550127513 334213949 /nfs/dbraw/zinc/21/39/49/334213949.db2.gz DQZHFRADLYUNIU-UHFFFAOYSA-N 1 2 283.375 3.315 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000576596845 335224385 /nfs/dbraw/zinc/22/43/85/335224385.db2.gz AHWSFPNUDBFMGS-UKRRQHHQSA-N 1 2 283.375 3.337 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)CC1Cc2ccccc2C1 ZINC000577447771 335353116 /nfs/dbraw/zinc/35/31/16/335353116.db2.gz XGUQOXJFZCATMH-UHFFFAOYSA-N 1 2 291.398 3.212 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)CC1Cc2ccccc2C1 ZINC000577447771 335353117 /nfs/dbraw/zinc/35/31/17/335353117.db2.gz XGUQOXJFZCATMH-UHFFFAOYSA-N 1 2 291.398 3.212 20 30 CGEDLO C=CCCCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000577527632 335365170 /nfs/dbraw/zinc/36/51/70/335365170.db2.gz RALYOHQHQFDOIP-UHFFFAOYSA-N 1 2 290.411 3.045 20 30 CGEDLO CCCOc1c(C[NH2+]C[C@H](C)C#N)cccc1OCC ZINC000183826390 335908289 /nfs/dbraw/zinc/90/82/89/335908289.db2.gz IZBKFSLYCMKSMA-CYBMUJFWSA-N 1 2 276.380 3.123 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(C(C)=O)ccc1OCC ZINC000193325927 335967343 /nfs/dbraw/zinc/96/73/43/335967343.db2.gz WZAQFWCFMDXYGD-UHFFFAOYSA-N 1 2 273.376 3.462 20 30 CGEDLO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](CC)CC#N ZINC000581079388 336005589 /nfs/dbraw/zinc/00/55/89/336005589.db2.gz DYKNBFZYDJFLBW-HNNXBMFYSA-N 1 2 274.364 3.070 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(C)cccc1C(C)C ZINC000581140491 336014689 /nfs/dbraw/zinc/01/46/89/336014689.db2.gz MVWIGHWBYIGARB-CQSZACIVSA-N 1 2 287.407 3.339 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC000428310418 533927622 /nfs/dbraw/zinc/92/76/22/533927622.db2.gz HJCOYZBAQGYNOE-NSHDSACASA-N 1 2 299.305 3.456 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000425364859 534082297 /nfs/dbraw/zinc/08/22/97/534082297.db2.gz HQERRWSMBTXUKY-NSHDSACASA-N 1 2 282.372 3.079 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000425364859 534082300 /nfs/dbraw/zinc/08/23/00/534082300.db2.gz HQERRWSMBTXUKY-NSHDSACASA-N 1 2 282.372 3.079 20 30 CGEDLO C[C@H](c1cccs1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356069876 534149827 /nfs/dbraw/zinc/14/98/27/534149827.db2.gz WPBOFSAVRIEAFP-SECBINFHSA-N 1 2 263.391 3.269 20 30 CGEDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356069876 534149833 /nfs/dbraw/zinc/14/98/33/534149833.db2.gz WPBOFSAVRIEAFP-SECBINFHSA-N 1 2 263.391 3.269 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ncc(C)cn1 ZINC000340657055 521682449 /nfs/dbraw/zinc/68/24/49/521682449.db2.gz HNVJUKDKHCQWOY-UHFFFAOYSA-N 1 2 280.375 3.069 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ncc(C)cn1 ZINC000340657055 521682451 /nfs/dbraw/zinc/68/24/51/521682451.db2.gz HNVJUKDKHCQWOY-UHFFFAOYSA-N 1 2 280.375 3.069 20 30 CGEDLO C=CC[N@H+](Cc1nccs1)Cc1cccc(C#N)c1 ZINC000352765025 526382934 /nfs/dbraw/zinc/38/29/34/526382934.db2.gz IDUIUWKRZJTPTM-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO C=CC[N@@H+](Cc1nccs1)Cc1cccc(C#N)c1 ZINC000352765025 526382940 /nfs/dbraw/zinc/38/29/40/526382940.db2.gz IDUIUWKRZJTPTM-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccccc2C#N)cn1 ZINC000440463734 528348223 /nfs/dbraw/zinc/34/82/23/528348223.db2.gz XKUBUWFNEADTOX-UHFFFAOYSA-N 1 2 280.375 3.104 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccccc2C#N)cn1 ZINC000440463734 528348228 /nfs/dbraw/zinc/34/82/28/528348228.db2.gz XKUBUWFNEADTOX-UHFFFAOYSA-N 1 2 280.375 3.104 20 30 CGEDLO CC[N@H+](Cc1ccncc1)Cc1cccc(F)c1C#N ZINC000428290573 528861722 /nfs/dbraw/zinc/86/17/22/528861722.db2.gz YMXFFLHTLJVIPJ-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1ccncc1)Cc1cccc(F)c1C#N ZINC000428290573 528861724 /nfs/dbraw/zinc/86/17/24/528861724.db2.gz YMXFFLHTLJVIPJ-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC1(C)C[NH+](Cc2cn3ccccc3c2C#N)CC(C)(C)O1 ZINC000442886677 529124523 /nfs/dbraw/zinc/12/45/23/529124523.db2.gz TYCGRZHDYPLBHW-UHFFFAOYSA-N 1 2 297.402 3.200 20 30 CGEDLO CCS[C@H]1CCCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425224423 529225785 /nfs/dbraw/zinc/22/57/85/529225785.db2.gz JKJQLVNWJPUVAM-AWEZNQCLSA-N 1 2 275.421 3.374 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C/c1cc(OC)ccc1O ZINC000727653633 571760914 /nfs/dbraw/zinc/76/09/14/571760914.db2.gz UCBAJVKUUCZUFF-CPNJWEJPSA-N 1 2 299.370 3.461 20 30 CGEDLO C=CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)C(C)C ZINC000738920427 572396739 /nfs/dbraw/zinc/39/67/39/572396739.db2.gz OWQAERIZKWKSNB-UHFFFAOYSA-N 1 2 272.352 3.071 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cn1ccc(-c2ccccc2)n1 ZINC000731659430 572421527 /nfs/dbraw/zinc/42/15/27/572421527.db2.gz BNGUAZKAJJQXGQ-UHFFFAOYSA-N 1 2 282.391 3.379 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cn1ccc(-c2ccccc2)n1 ZINC000731659430 572421530 /nfs/dbraw/zinc/42/15/30/572421530.db2.gz BNGUAZKAJJQXGQ-UHFFFAOYSA-N 1 2 282.391 3.379 20 30 CGEDLO C=C(Cl)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741350214 572494858 /nfs/dbraw/zinc/49/48/58/572494858.db2.gz FFGGNFWSTGHQPL-HNNXBMFYSA-N 1 2 293.794 3.337 20 30 CGEDLO C=C(Cl)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741350214 572494861 /nfs/dbraw/zinc/49/48/61/572494861.db2.gz FFGGNFWSTGHQPL-HNNXBMFYSA-N 1 2 293.794 3.337 20 30 CGEDLO COc1cccc(/C=[NH+]\[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000741465914 572500964 /nfs/dbraw/zinc/50/09/64/572500964.db2.gz ZJJAZWYYVNHZBS-OJTJRJJXSA-N 1 2 281.355 3.451 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC2CCSCC2)c1 ZINC000733205288 572542538 /nfs/dbraw/zinc/54/25/38/572542538.db2.gz QDZODRWQXGLKSF-WJDWOHSUSA-N 1 2 279.405 3.353 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc2c(c1)COC2 ZINC000742436666 572583488 /nfs/dbraw/zinc/58/34/88/572583488.db2.gz MSPUIOLHCMWHEL-SREVYHEPSA-N 1 2 290.322 3.261 20 30 CGEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(CC)CCCCCC)CC1 ZINC000742670595 572605530 /nfs/dbraw/zinc/60/55/30/572605530.db2.gz KYHUVULCKYUOES-SFHVURJKSA-N 1 2 292.467 3.151 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\[C@@H]2CC[C@H](SC)C2)c1 ZINC000743042328 572635885 /nfs/dbraw/zinc/63/58/85/572635885.db2.gz IYRNNKYUPNVRFX-QRTYOACDSA-N 1 2 265.378 3.104 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(Cl)nc2)cc1 ZINC000743450783 572663154 /nfs/dbraw/zinc/66/31/54/572663154.db2.gz ZKYZCFKDDAWJTB-UHFFFAOYSA-N 1 2 274.755 3.247 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\[C@@H](CC)C2CCOCC2)c1 ZINC000746393872 572869327 /nfs/dbraw/zinc/86/93/27/572869327.db2.gz LTESHEGZLBEWTE-JIHKLPAASA-N 1 2 291.391 3.415 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000746457451 572871705 /nfs/dbraw/zinc/87/17/05/572871705.db2.gz CSLAIEYEAUZJJW-UHFFFAOYSA-N 1 2 283.375 3.315 20 30 CGEDLO C#CC[N@H+](CC)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000746457451 572871709 /nfs/dbraw/zinc/87/17/09/572871709.db2.gz CSLAIEYEAUZJJW-UHFFFAOYSA-N 1 2 283.375 3.315 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CCCOC1CCCC1 ZINC000747033734 572906004 /nfs/dbraw/zinc/90/60/04/572906004.db2.gz UOMBGTMYHJIHSF-SFQUDFHCSA-N 1 2 277.364 3.169 20 30 CGEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000749159203 572989992 /nfs/dbraw/zinc/98/99/92/572989992.db2.gz BEMXKRXOUUJXTB-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C#CC[N@H+](CC)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000749159203 572989993 /nfs/dbraw/zinc/98/99/93/572989993.db2.gz BEMXKRXOUUJXTB-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H](C)c2ccncc2)c1O ZINC000749846650 573047716 /nfs/dbraw/zinc/04/77/16/573047716.db2.gz ZDINCNUFPSAHKZ-OTWJJXBCSA-N 1 2 270.332 3.018 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cnn(CC2CCC2)c1 ZINC000899421233 620697304 /nfs/dbraw/zinc/69/73/04/620697304.db2.gz CLLCRGJXJCGTCE-SREVYHEPSA-N 1 2 298.390 3.357 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC000957434059 613296412 /nfs/dbraw/zinc/29/64/12/613296412.db2.gz JNISNYJUJXHRQL-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000981783163 613373629 /nfs/dbraw/zinc/37/36/29/613373629.db2.gz GTDCDOOOPIJXCB-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000981783163 613373630 /nfs/dbraw/zinc/37/36/30/613373630.db2.gz GTDCDOOOPIJXCB-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526364 613377630 /nfs/dbraw/zinc/37/76/30/613377630.db2.gz OFBBRSMUUKDKHO-JSGCOSHPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526364 613377631 /nfs/dbraw/zinc/37/76/31/613377631.db2.gz OFBBRSMUUKDKHO-JSGCOSHPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccc(C(C)C)cc2)C1 ZINC000957313558 613657351 /nfs/dbraw/zinc/65/73/51/613657351.db2.gz KWJBHKUAPFNOQT-UHFFFAOYSA-N 1 2 286.419 3.142 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc(C3CCC3)c2)C1 ZINC000957279192 613657958 /nfs/dbraw/zinc/65/79/58/613657958.db2.gz TYZMENFSWNPFES-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000951781218 613709516 /nfs/dbraw/zinc/70/95/16/613709516.db2.gz OIXIIGHBEOMZKY-JKSUJKDBSA-N 1 2 292.467 3.169 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccs1 ZINC000255107883 617924925 /nfs/dbraw/zinc/92/49/25/617924925.db2.gz DRGCWBNXZMWHAZ-SREVYHEPSA-N 1 2 254.314 3.292 20 30 CGEDLO C[C@@]1([NH2+]Cc2ccc(F)cc2C#N)CCOc2ccccc21 ZINC000933372081 618218568 /nfs/dbraw/zinc/21/85/68/618218568.db2.gz UJWFBQRYXYNCLC-GOSISDBHSA-N 1 2 296.345 3.485 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1csc(C#N)c1)CC2 ZINC000891811120 618313131 /nfs/dbraw/zinc/31/31/31/618313131.db2.gz YMHUKLXRPOEKOS-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1csc(C#N)c1)CC2 ZINC000891811120 618313142 /nfs/dbraw/zinc/31/31/42/618313142.db2.gz YMHUKLXRPOEKOS-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccc(OC)cc1Br ZINC000308893693 618510560 /nfs/dbraw/zinc/51/05/60/618510560.db2.gz RUAVAXLGKANJTP-UHFFFAOYSA-N 1 2 290.588 3.300 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000934464314 618626116 /nfs/dbraw/zinc/62/61/16/618626116.db2.gz DQAZHTFCHCQDHG-CYBMUJFWSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000934464314 618626118 /nfs/dbraw/zinc/62/61/18/618626118.db2.gz DQAZHTFCHCQDHG-CYBMUJFWSA-N 1 2 269.348 3.195 20 30 CGEDLO Oc1ccccc1/C=N/Cc1ccccc1-n1cc[nH+]c1 ZINC000066887742 619183652 /nfs/dbraw/zinc/18/36/52/619183652.db2.gz PJFKYNKKISFVMK-XDHOZWIPSA-N 1 2 277.327 3.197 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000893527412 619204270 /nfs/dbraw/zinc/20/42/70/619204270.db2.gz PKKZCTPMXLOBOD-KRWDZBQOSA-N 1 2 270.376 3.137 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000893527412 619204275 /nfs/dbraw/zinc/20/42/75/619204275.db2.gz PKKZCTPMXLOBOD-KRWDZBQOSA-N 1 2 270.376 3.137 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OCC(F)F)C[C@@H](C)C#N ZINC000893994524 619345592 /nfs/dbraw/zinc/34/55/92/619345592.db2.gz HLBYSJBNPGCLOQ-LBPRGKRZSA-N 1 2 282.334 3.312 20 30 CGEDLO CC[N@H+](Cc1ccccc1OCC(F)F)C[C@@H](C)C#N ZINC000893994524 619345593 /nfs/dbraw/zinc/34/55/93/619345593.db2.gz HLBYSJBNPGCLOQ-LBPRGKRZSA-N 1 2 282.334 3.312 20 30 CGEDLO CC(=[NH+]NCCC(F)(F)F)c1ccc(F)cc1N(C)C ZINC000794553374 619764469 /nfs/dbraw/zinc/76/44/69/619764469.db2.gz QWAWNQZQHISVJX-UHFFFAOYSA-N 1 2 291.292 3.158 20 30 CGEDLO C=C(Br)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000307679925 620206050 /nfs/dbraw/zinc/20/60/50/620206050.db2.gz SHPPXDOGLHFHNA-UHFFFAOYSA-N 1 2 272.108 3.169 20 30 CGEDLO N#CC1(CCO[NH+]=C(N)c2ccc(F)cc2)CCCCC1 ZINC000842019123 620345704 /nfs/dbraw/zinc/34/57/04/620345704.db2.gz HVHDFWSNHHRHSZ-UHFFFAOYSA-N 1 2 289.354 3.327 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CC[C@@H]1CCC2(CCC2)O1 ZINC000899227735 620627170 /nfs/dbraw/zinc/62/71/70/620627170.db2.gz QWKVSHVBNFROOG-IQGJIOQQSA-N 1 2 259.349 3.303 20 30 CGEDLO CC(=[NH+]NC1CCC(F)(F)CC1)c1cc(N)ccc1F ZINC000901340458 620857273 /nfs/dbraw/zinc/85/72/73/620857273.db2.gz GDCBGXSKTNRFHE-UHFFFAOYSA-N 1 2 285.313 3.299 20 30 CGEDLO Cc1[nH]c(/C=C2\Cc3ccc(C)cc3C2=O)[nH+]c1C ZINC000901474277 620890627 /nfs/dbraw/zinc/89/06/27/620890627.db2.gz VZROMWJXYWYZFA-MDWZMJQESA-N 1 2 252.317 3.157 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2c(c(F)ccc2O)[C@@H]1C ZINC000901454764 620893277 /nfs/dbraw/zinc/89/32/77/620893277.db2.gz WPIUJFPFIIPAEC-VKRGWIQLSA-N 1 2 286.306 3.131 20 30 CGEDLO COc1cc(C)cc2c1OC/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901465128 620895046 /nfs/dbraw/zinc/89/50/46/620895046.db2.gz QZSCWHVRLBINKW-KPKJPENVSA-N 1 2 298.342 3.002 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2ccc(O)cc2C1=O ZINC000901507108 620905191 /nfs/dbraw/zinc/90/51/91/620905191.db2.gz IBJUXMWMSHLFSA-QPEQYQDCSA-N 1 2 282.343 3.382 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc(C#N)ccn1 ZINC000902881767 621482935 /nfs/dbraw/zinc/48/29/35/621482935.db2.gz QWUQMGBWFZPDPR-JTQLQIEISA-N 1 2 284.388 3.138 20 30 CGEDLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cc(C#N)ccn1 ZINC000902921190 621492333 /nfs/dbraw/zinc/49/23/33/621492333.db2.gz QGZNHDVKFZJALJ-ZDUSSCGKSA-N 1 2 293.374 3.122 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000903100723 621572598 /nfs/dbraw/zinc/57/25/98/621572598.db2.gz WCSSPVZUXPJKOM-INIZCTEOSA-N 1 2 283.350 3.449 20 30 CGEDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903323719 621677679 /nfs/dbraw/zinc/67/76/79/621677679.db2.gz COTNCTRZBVFBPR-MEDUHNTESA-N 1 2 296.349 3.289 20 30 CGEDLO C=CCC(CC=C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269620 621896131 /nfs/dbraw/zinc/89/61/31/621896131.db2.gz NGFMCAHOVPQPNA-UHFFFAOYSA-N 1 2 270.336 3.258 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)ccc1OC ZINC000905861533 622118255 /nfs/dbraw/zinc/11/82/55/622118255.db2.gz HYWRGMNEVFFKLX-SWLSCSKDSA-N 1 2 289.354 3.319 20 30 CGEDLO Cc1cc(C)c(C(=O)NCCC#C[Si](C)(C)C)c(C)[nH+]1 ZINC000912335981 622641641 /nfs/dbraw/zinc/64/16/41/622641641.db2.gz LYHMRTJEVRAJNQ-UHFFFAOYSA-N 1 2 288.467 3.008 20 30 CGEDLO N#CC1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000057824572 622889717 /nfs/dbraw/zinc/88/97/17/622889717.db2.gz YBXBJQYGNKFBGY-UHFFFAOYSA-N 1 2 273.361 3.157 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913712718 623564069 /nfs/dbraw/zinc/56/40/69/623564069.db2.gz WYMANPXAQYCLKM-UHFFFAOYSA-N 1 2 297.402 3.269 20 30 CGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(C#N)cc2)s1 ZINC000915962397 624091730 /nfs/dbraw/zinc/09/17/30/624091730.db2.gz QAOSTDCCJHQIGF-UHFFFAOYSA-N 1 2 299.403 3.307 20 30 CGEDLO C=CCC1(C(=O)OCc2cc[nH+]c(N(C)C)c2)CCCC1 ZINC000835288099 634432890 /nfs/dbraw/zinc/43/28/90/634432890.db2.gz YBIWQMKRSJBDII-UHFFFAOYSA-N 1 2 288.391 3.327 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)CC3(C#N)CC3)cc2)[nH+]c1C ZINC000921653292 625808765 /nfs/dbraw/zinc/80/87/65/625808765.db2.gz AGHPDHQOBLSCDX-UHFFFAOYSA-N 1 2 294.358 3.326 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000922185136 625981255 /nfs/dbraw/zinc/98/12/55/625981255.db2.gz VOQDYUGVBQOUND-UHFFFAOYSA-N 1 2 298.415 3.194 20 30 CGEDLO C#Cc1cccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000873893719 634489625 /nfs/dbraw/zinc/48/96/25/634489625.db2.gz MTAOLYUEGVUVRP-INIZCTEOSA-N 1 2 281.359 3.090 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000753138223 626446372 /nfs/dbraw/zinc/44/63/72/626446372.db2.gz ZXNYKHSHOKUVBJ-ZDUSSCGKSA-N 1 2 266.182 3.212 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000753138223 626446373 /nfs/dbraw/zinc/44/63/73/626446373.db2.gz ZXNYKHSHOKUVBJ-ZDUSSCGKSA-N 1 2 266.182 3.212 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000756014800 626669810 /nfs/dbraw/zinc/66/98/10/626669810.db2.gz SYVGSZMXVBHYCX-UKRRQHHQSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000756014800 626669812 /nfs/dbraw/zinc/66/98/12/626669812.db2.gz SYVGSZMXVBHYCX-UKRRQHHQSA-N 1 2 261.365 3.187 20 30 CGEDLO C#CCC(C)(C)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000760272965 626952664 /nfs/dbraw/zinc/95/26/64/626952664.db2.gz DKIWPJOAWHICJV-MRXNPFEDSA-N 1 2 287.403 3.272 20 30 CGEDLO C#CCC(C)(C)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000760272965 626952670 /nfs/dbraw/zinc/95/26/70/626952670.db2.gz DKIWPJOAWHICJV-MRXNPFEDSA-N 1 2 287.403 3.272 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000760843213 626995988 /nfs/dbraw/zinc/99/59/88/626995988.db2.gz LZLFSEBYRWDPIY-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO C#CCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000760843213 626995991 /nfs/dbraw/zinc/99/59/91/626995991.db2.gz LZLFSEBYRWDPIY-CQSZACIVSA-N 1 2 283.293 3.102 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1occc1C ZINC000767783747 627436774 /nfs/dbraw/zinc/43/67/74/627436774.db2.gz WOYSDGKTIDZLHK-UHFFFAOYSA-N 1 2 265.316 3.394 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000769977275 627594606 /nfs/dbraw/zinc/59/46/06/627594606.db2.gz DGFRKLLSPNSLIO-KBPBESRZSA-N 1 2 272.392 3.092 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000769977275 627594611 /nfs/dbraw/zinc/59/46/11/627594611.db2.gz DGFRKLLSPNSLIO-KBPBESRZSA-N 1 2 272.392 3.092 20 30 CGEDLO C=CC(C)(C)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000835722580 634610574 /nfs/dbraw/zinc/61/05/74/634610574.db2.gz GMHITIFJYWYMFS-UHFFFAOYSA-N 1 2 270.332 3.241 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCC[C@@H]2OC)c(O)c1 ZINC000774542565 628004002 /nfs/dbraw/zinc/00/40/02/628004002.db2.gz PEZQYRBGYWPKGV-IURKLMGRSA-N 1 2 277.364 3.025 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2CCC[C@@H]2OC)c1O ZINC000774541951 628004063 /nfs/dbraw/zinc/00/40/63/628004063.db2.gz MXEPEHMHDOXXCB-SHSBYALHSA-N 1 2 277.364 3.025 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000775342354 628084729 /nfs/dbraw/zinc/08/47/29/628084729.db2.gz QOUQFVUDYOWOTR-CABCVRRESA-N 1 2 298.411 3.081 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccncc1 ZINC000776188151 628178349 /nfs/dbraw/zinc/17/83/49/628178349.db2.gz JEKAALFFSBPHLR-NSCUHMNNSA-N 1 2 283.718 3.279 20 30 CGEDLO COc1ccc2c(c1)[nH+]ccc2N1CCC[C@](C)(C#N)C1 ZINC000784203786 628794894 /nfs/dbraw/zinc/79/48/94/628794894.db2.gz FACBVTSFRCTAGL-QGZVFWFLSA-N 1 2 281.359 3.373 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790545713 629216716 /nfs/dbraw/zinc/21/67/16/629216716.db2.gz BQKVWOVXMSAQLT-UHFFFAOYSA-N 1 2 296.201 3.427 20 30 CGEDLO CC[C@H](C)CON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000793147002 629416575 /nfs/dbraw/zinc/41/65/75/629416575.db2.gz XHJDBHMXPFKGQB-ZDUSSCGKSA-N 1 2 260.381 3.441 20 30 CGEDLO C=CCC[C@@H](C(=O)OCCc1c[nH+]cn1C)c1ccccc1 ZINC000793257753 629436984 /nfs/dbraw/zinc/43/69/84/629436984.db2.gz ZBCLWKDIGVSQFP-QGZVFWFLSA-N 1 2 298.386 3.256 20 30 CGEDLO CC(N=Nc1ncccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000794991114 629615753 /nfs/dbraw/zinc/61/57/53/629615753.db2.gz WGTJMOBJAQVRBX-UHFFFAOYSA-N 1 2 295.321 3.243 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC(C)(C)OC)c(O)c1 ZINC000864346546 629815059 /nfs/dbraw/zinc/81/50/59/629815059.db2.gz BPBIQDUKGSISGA-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO CC[N@H+](C)[C@H](C(=O)OCC#CC(C)(C)C)c1ccccc1 ZINC000798888643 630111717 /nfs/dbraw/zinc/11/17/17/630111717.db2.gz OWNJKPPNFHNHSU-INIZCTEOSA-N 1 2 287.403 3.272 20 30 CGEDLO CC[N@@H+](C)[C@H](C(=O)OCC#CC(C)(C)C)c1ccccc1 ZINC000798888643 630111725 /nfs/dbraw/zinc/11/17/25/630111725.db2.gz OWNJKPPNFHNHSU-INIZCTEOSA-N 1 2 287.403 3.272 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCCSCC)c1 ZINC000800721406 630295412 /nfs/dbraw/zinc/29/54/12/630295412.db2.gz MLERXRWRWQALGI-PTNGSMBKSA-N 1 2 267.394 3.353 20 30 CGEDLO C=CCCCCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000806380800 630560821 /nfs/dbraw/zinc/56/08/21/630560821.db2.gz GNAJWAYZHZMMAE-UHFFFAOYSA-N 1 2 275.396 3.378 20 30 CGEDLO CCCO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000842565712 630690961 /nfs/dbraw/zinc/69/09/61/630690961.db2.gz MEBMPJPWRDGZCP-UHFFFAOYSA-N 1 2 250.317 3.186 20 30 CGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1cc(N)ccc1F ZINC000814682220 631621751 /nfs/dbraw/zinc/62/17/51/631621751.db2.gz IXDZCSLNQFHZLO-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000814682104 631622033 /nfs/dbraw/zinc/62/20/33/631622033.db2.gz HNXDNVLDBNBQID-UHFFFAOYSA-N 1 2 296.330 3.330 20 30 CGEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1cc(N)ccc1F ZINC000814803095 631642455 /nfs/dbraw/zinc/64/24/55/631642455.db2.gz JNQXPVILNMQKSA-UHFFFAOYSA-N 1 2 268.295 3.116 20 30 CGEDLO Cc1c(Cl)cccc1N[NH+]=Cc1c(Cl)nc(N)n1C ZINC000814801422 631642490 /nfs/dbraw/zinc/64/24/90/631642490.db2.gz GCYJRLWGBZIFGB-UHFFFAOYSA-N 1 2 298.177 3.064 20 30 CGEDLO C=CCC(F)(F)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000814895501 631668889 /nfs/dbraw/zinc/66/88/89/631668889.db2.gz NCCQAGMMDNXRCI-UHFFFAOYSA-N 1 2 277.274 3.022 20 30 CGEDLO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1cc(N)ccc1F ZINC000814900396 631670478 /nfs/dbraw/zinc/67/04/78/631670478.db2.gz RENVYQMNYOZILW-UHFFFAOYSA-N 1 2 283.310 3.120 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000815279464 631753584 /nfs/dbraw/zinc/75/35/84/631753584.db2.gz JDAZGAQDBJSFAZ-AWEZNQCLSA-N 1 2 280.371 3.122 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000815279464 631753589 /nfs/dbraw/zinc/75/35/89/631753589.db2.gz JDAZGAQDBJSFAZ-AWEZNQCLSA-N 1 2 280.371 3.122 20 30 CGEDLO COc1ccc(O)c(/C=N/Cc2cc(C)[nH+]c(C)c2)c1 ZINC000817706661 632202381 /nfs/dbraw/zinc/20/23/81/632202381.db2.gz DWJQIADUHXUJND-LICLKQGHSA-N 1 2 270.332 3.032 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CC12CCSCC2 ZINC000817708049 632202630 /nfs/dbraw/zinc/20/26/30/632202630.db2.gz RMQBNWOWTOFARQ-RKPNYOAGSA-N 1 2 261.390 3.344 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCOc1ccccc1 ZINC000820604021 632652739 /nfs/dbraw/zinc/65/27/39/632652739.db2.gz BCNBMLGXCLRRTG-UHFFFAOYSA-N 1 2 296.370 3.365 20 30 CGEDLO Cc1csc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866256281 633048196 /nfs/dbraw/zinc/04/81/96/633048196.db2.gz IKMBNVBVCYZDRE-MNOVXSKESA-N 1 2 287.388 3.441 20 30 CGEDLO CCSCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866275479 633058512 /nfs/dbraw/zinc/05/85/12/633058512.db2.gz LAISXRUTIPZZBS-RYUDHWBXSA-N 1 2 278.421 3.446 20 30 CGEDLO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)CCO1 ZINC000866287867 633066768 /nfs/dbraw/zinc/06/67/68/633066768.db2.gz AXSWGTPASHYLMM-DUVNUKRYSA-N 1 2 288.391 3.118 20 30 CGEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)Oc1ccccc1 ZINC000866296942 633068380 /nfs/dbraw/zinc/06/83/80/633068380.db2.gz PEYVAMHBFYBMJK-KBPBESRZSA-N 1 2 296.370 3.382 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cccc(C#N)c1O ZINC000866304947 633074077 /nfs/dbraw/zinc/07/40/77/633074077.db2.gz CDOQYJSHYNRILB-JTQLQIEISA-N 1 2 299.399 3.449 20 30 CGEDLO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866336943 633085178 /nfs/dbraw/zinc/08/51/78/633085178.db2.gz TWXWSGUMKCQJMH-MGPQQGTHSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866341473 633089170 /nfs/dbraw/zinc/08/91/70/633089170.db2.gz YBUZALYEUONCAW-HIFRSBDPSA-N 1 2 288.391 3.264 20 30 CGEDLO CCOC1CC(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866345996 633091292 /nfs/dbraw/zinc/09/12/92/633091292.db2.gz DIUWWCRWURXGRX-OPFPJEHXSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+]CCCC(C)(F)F)c1cccc(C#N)c1O ZINC000866362752 633101013 /nfs/dbraw/zinc/10/10/13/633101013.db2.gz HKUHZYJDJZEVSL-JTQLQIEISA-N 1 2 268.307 3.350 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc(C#N)c1O ZINC000866366150 633103295 /nfs/dbraw/zinc/10/32/95/633103295.db2.gz KJZLBQSSTNCPDM-ZDUSSCGKSA-N 1 2 295.386 3.287 20 30 CGEDLO C[C@H]([NH2+]CCOCC1CCCC1)c1cccc(C#N)c1O ZINC000866369235 633105789 /nfs/dbraw/zinc/10/57/89/633105789.db2.gz JXZXZTZVQQHSKI-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)CC(F)F ZINC000866380399 633112910 /nfs/dbraw/zinc/11/29/10/633112910.db2.gz DFADPYCWMRUCQR-UWVGGRQHSA-N 1 2 268.307 3.206 20 30 CGEDLO Cc1cnc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)c(C)c1 ZINC000866385737 633114737 /nfs/dbraw/zinc/11/47/37/633114737.db2.gz YRAIFGSLUIAWFA-CQSZACIVSA-N 1 2 295.386 3.169 20 30 CGEDLO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000866389663 633116759 /nfs/dbraw/zinc/11/67/59/633116759.db2.gz HUVOXECMHWKXEY-QMTHXVAHSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000827651047 633507193 /nfs/dbraw/zinc/50/71/93/633507193.db2.gz YUJZOUUJIGJCOZ-CQSZACIVSA-N 1 2 266.747 3.257 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000827651047 633507197 /nfs/dbraw/zinc/50/71/97/633507197.db2.gz YUJZOUUJIGJCOZ-CQSZACIVSA-N 1 2 266.747 3.257 20 30 CGEDLO Cc1cc(C)c(C(=O)NCc2ccc(C)c(C#N)c2)c(C)[nH+]1 ZINC000831781660 633999938 /nfs/dbraw/zinc/99/99/38/633999938.db2.gz RLUQCONODHXGLY-UHFFFAOYSA-N 1 2 293.370 3.117 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000876866157 634916777 /nfs/dbraw/zinc/91/67/77/634916777.db2.gz PLHQDVNRTOIQBK-GJZGRUSLSA-N 1 2 287.407 3.263 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]Cc1cccc(Br)c1O ZINC000877478750 635052388 /nfs/dbraw/zinc/05/23/88/635052388.db2.gz LOVAGLIYNSHJKZ-SNVBAGLBSA-N 1 2 297.196 3.184 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cccnc1Br ZINC000877482281 635055227 /nfs/dbraw/zinc/05/52/27/635055227.db2.gz CGFWMHRRGAEFML-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cccnc1Br ZINC000877482281 635055232 /nfs/dbraw/zinc/05/52/32/635055232.db2.gz CGFWMHRRGAEFML-LBPRGKRZSA-N 1 2 281.197 3.385 20 30 CGEDLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877536554 635077120 /nfs/dbraw/zinc/07/71/20/635077120.db2.gz URNFTVQLTQMLQF-BMIGLBTASA-N 1 2 299.761 3.218 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000841760278 635233595 /nfs/dbraw/zinc/23/35/95/635233595.db2.gz DNMXIKGCZMGOEN-IRXDYDNUSA-N 1 2 292.386 3.326 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CC2(CCC2)C1 ZINC000878169078 635392054 /nfs/dbraw/zinc/39/20/54/635392054.db2.gz JHICPPGSWQCETD-UHFFFAOYSA-N 1 2 269.392 3.378 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)CC1CC2(CCC2)C1 ZINC000878169078 635392064 /nfs/dbraw/zinc/39/20/64/635392064.db2.gz JHICPPGSWQCETD-UHFFFAOYSA-N 1 2 269.392 3.378 20 30 CGEDLO C=CC(C)(C)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000878466870 635520241 /nfs/dbraw/zinc/52/02/41/635520241.db2.gz XUHUBFHGQXQKOA-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO C=CC(C)(C)CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000879762004 635857489 /nfs/dbraw/zinc/85/74/89/635857489.db2.gz BEVBMNCGRFVWHK-UHFFFAOYSA-N 1 2 291.439 3.286 20 30 CGEDLO C=C(C)C[N@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880368932 635982597 /nfs/dbraw/zinc/98/25/97/635982597.db2.gz KZQQCRUAFYHCMO-UHFFFAOYSA-N 1 2 256.349 3.111 20 30 CGEDLO C=C(C)C[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880368932 635982605 /nfs/dbraw/zinc/98/26/05/635982605.db2.gz KZQQCRUAFYHCMO-UHFFFAOYSA-N 1 2 256.349 3.111 20 30 CGEDLO N#Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1C1CC1 ZINC000882313113 636310878 /nfs/dbraw/zinc/31/08/78/636310878.db2.gz VVXXCDOFNUPOBO-UHFFFAOYSA-N 1 2 294.358 3.051 20 30 CGEDLO Cc1[nH]c(CNc2ccc(C3CC3)c(C#N)c2)[nH+]c1C ZINC000883339570 636686675 /nfs/dbraw/zinc/68/66/75/636686675.db2.gz WTVDBKMCOFOFLW-UHFFFAOYSA-N 1 2 266.348 3.388 20 30 CGEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2O)c[nH+]c1C ZINC000883342843 636689785 /nfs/dbraw/zinc/68/97/85/636689785.db2.gz NWXOGBCEESLPMH-LBPRGKRZSA-N 1 2 267.332 3.449 20 30 CGEDLO CCCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000085261411 636770926 /nfs/dbraw/zinc/77/09/26/636770926.db2.gz UXXZFYYAKXXSHB-UHFFFAOYSA-N 1 2 299.374 3.098 20 30 CGEDLO C[C@@H](CCc1cccn1C)/[NH+]=C/c1ccccc1O ZINC000132355047 636802539 /nfs/dbraw/zinc/80/25/39/636802539.db2.gz ZNLFHNOZNTWUOY-VLURKWGBSA-N 1 2 256.349 3.171 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000850148007 636967363 /nfs/dbraw/zinc/96/73/63/636967363.db2.gz ZRAJIIPXQGYXJD-UHFFFAOYSA-N 1 2 265.662 3.269 20 30 CGEDLO C=C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000851451651 637398245 /nfs/dbraw/zinc/39/82/45/637398245.db2.gz KJUXFQRRURFDMK-ZFWWWQNUSA-N 1 2 270.332 3.305 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000852097333 637590294 /nfs/dbraw/zinc/59/02/94/637590294.db2.gz OQQZFDMJGOZXCK-HNNXBMFYSA-N 1 2 289.766 3.282 20 30 CGEDLO C[C@H]([NH2+]C1(C2CC2)CCC1)c1cccc(C#N)c1O ZINC000886825133 637709892 /nfs/dbraw/zinc/70/98/92/637709892.db2.gz MYWPRRILXRAECI-NSHDSACASA-N 1 2 256.349 3.247 20 30 CGEDLO Cc1[nH+]cc(C=NNc2cccc3c2CCCC3)n1C ZINC000853294605 637803491 /nfs/dbraw/zinc/80/34/91/637803491.db2.gz XKALONLDYAJZDA-UHFFFAOYSA-N 1 2 268.364 3.053 20 30 CGEDLO CCCCCC[C@@H](C)NN=Cc1c[nH+]c(C)n1C ZINC000853312704 637807067 /nfs/dbraw/zinc/80/70/67/637807067.db2.gz DZQBHMVQRFNWNW-GFCCVEGCSA-N 1 2 250.390 3.011 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(CC)(CC)CO ZINC000853458886 637847827 /nfs/dbraw/zinc/84/78/27/637847827.db2.gz WEUQKVXRDAACPZ-UHFFFAOYSA-N 1 2 290.407 3.084 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC1C[C@@H](C)O[C@H](C)C1 ZINC000853465590 637849978 /nfs/dbraw/zinc/84/99/78/637849978.db2.gz JBFOECPQPKUMIK-ZIAGYGMSSA-N 1 2 288.391 3.242 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCSC(C)C ZINC000853621598 637874286 /nfs/dbraw/zinc/87/42/86/637874286.db2.gz AHAFEXRDYJCMEM-UHFFFAOYSA-N 1 2 278.421 3.427 20 30 CGEDLO C#CC[C@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000853708077 637897974 /nfs/dbraw/zinc/89/79/74/637897974.db2.gz DMMWXGQSNZGTDV-ZDUSSCGKSA-N 1 2 265.360 3.057 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1O ZINC000926222759 638744734 /nfs/dbraw/zinc/74/47/34/638744734.db2.gz UDRAIFMZKIGXIS-HIFRSBDPSA-N 1 2 288.391 3.262 20 30 CGEDLO Cc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1C#N ZINC000926960235 638829221 /nfs/dbraw/zinc/82/92/21/638829221.db2.gz FWYORPUPBAXCMT-FUHWJXTLSA-N 1 2 296.345 3.428 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccccc2)o1)C[C@H](C)C#N ZINC000929429736 638924699 /nfs/dbraw/zinc/92/46/99/638924699.db2.gz POBZDGOIWQLPHF-CYBMUJFWSA-N 1 2 269.348 3.323 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccccc2)o1)C[C@H](C)C#N ZINC000929429736 638924702 /nfs/dbraw/zinc/92/47/02/638924702.db2.gz POBZDGOIWQLPHF-CYBMUJFWSA-N 1 2 269.348 3.323 20 30 CGEDLO C=C(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931387451 639143848 /nfs/dbraw/zinc/14/38/48/639143848.db2.gz GZFIXUHBXRVBFZ-INIZCTEOSA-N 1 2 271.339 3.072 20 30 CGEDLO C=C(C)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931387451 639143850 /nfs/dbraw/zinc/14/38/50/639143850.db2.gz GZFIXUHBXRVBFZ-INIZCTEOSA-N 1 2 271.339 3.072 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932147915 639275499 /nfs/dbraw/zinc/27/54/99/639275499.db2.gz JFCOKHJGTAVAFP-HNNXBMFYSA-N 1 2 267.376 3.223 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932147915 639275520 /nfs/dbraw/zinc/27/55/20/639275520.db2.gz JFCOKHJGTAVAFP-HNNXBMFYSA-N 1 2 267.376 3.223 20 30 CGEDLO CC[C@@H](OCC[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932152881 639277116 /nfs/dbraw/zinc/27/71/16/639277116.db2.gz UZCYVWSVRFUPLT-NVXWUHKLSA-N 1 2 272.392 3.390 20 30 CGEDLO CC[C@@H](OCC[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932152881 639277120 /nfs/dbraw/zinc/27/71/20/639277120.db2.gz UZCYVWSVRFUPLT-NVXWUHKLSA-N 1 2 272.392 3.390 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000934649116 639651191 /nfs/dbraw/zinc/65/11/91/639651191.db2.gz KQQVUNATTZNBAP-UHFFFAOYSA-N 1 2 251.374 3.155 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000934649116 639651198 /nfs/dbraw/zinc/65/11/98/639651198.db2.gz KQQVUNATTZNBAP-UHFFFAOYSA-N 1 2 251.374 3.155 20 30 CGEDLO C#Cc1cccc(NCc2c[nH+]c3c(C)cccn23)c1 ZINC000158294518 640000310 /nfs/dbraw/zinc/00/03/10/640000310.db2.gz NIMWBQPCPGLPPL-UHFFFAOYSA-N 1 2 261.328 3.236 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1nc(C2CC2)n(CC)c1=S ZINC000076664839 640207660 /nfs/dbraw/zinc/20/76/60/640207660.db2.gz WWSFIRBFZLGQAQ-UHFFFAOYSA-N 1 2 280.441 3.167 20 30 CGEDLO C=CCCC[N@H+](C)Cn1nc(C2CC2)n(CC)c1=S ZINC000076664839 640207669 /nfs/dbraw/zinc/20/76/69/640207669.db2.gz WWSFIRBFZLGQAQ-UHFFFAOYSA-N 1 2 280.441 3.167 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764534 640986812 /nfs/dbraw/zinc/98/68/12/640986812.db2.gz ZVQHWADCZMEORK-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764534 640986813 /nfs/dbraw/zinc/98/68/13/640986813.db2.gz ZVQHWADCZMEORK-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO N#Cc1ccc(F)c(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001250632916 805739526 /nfs/dbraw/zinc/73/95/26/805739526.db2.gz QUKTZAUTZPPEQM-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO C=CCC[C@@H](O)CNc1[nH+]cccc1OCc1ccccc1 ZINC001252585964 806076312 /nfs/dbraw/zinc/07/63/12/806076312.db2.gz BNQCFLHACAIPCI-MRXNPFEDSA-N 1 2 298.386 3.400 20 30 CGEDLO CCCCC[C@@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC001253519295 806231703 /nfs/dbraw/zinc/23/17/03/806231703.db2.gz NXFWUINIAWOLHS-QGZVFWFLSA-N 1 2 274.408 3.343 20 30 CGEDLO CCCCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001253519295 806231710 /nfs/dbraw/zinc/23/17/10/806231710.db2.gz NXFWUINIAWOLHS-QGZVFWFLSA-N 1 2 274.408 3.343 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3nccc(C#N)c3F)c[nH+]c12 ZINC001160682408 806294697 /nfs/dbraw/zinc/29/46/97/806294697.db2.gz CPWXVDSYARBSEQ-NSHDSACASA-N 1 2 295.321 3.222 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254613110 806461596 /nfs/dbraw/zinc/46/15/96/806461596.db2.gz YMXQLYMNUCVINH-QGZVFWFLSA-N 1 2 289.398 3.322 20 30 CGEDLO CC(C)c1nc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC001254670297 806482099 /nfs/dbraw/zinc/48/20/99/806482099.db2.gz ILJXYKPMAYPYON-DGCLKSJQSA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cs1 ZINC001254670297 806482101 /nfs/dbraw/zinc/48/21/01/806482101.db2.gz ILJXYKPMAYPYON-DGCLKSJQSA-N 1 2 263.410 3.391 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255173278 806566990 /nfs/dbraw/zinc/56/69/90/806566990.db2.gz KHYGQYWDIMYQFL-BFHYXJOUSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255173278 806566997 /nfs/dbraw/zinc/56/69/97/806566997.db2.gz KHYGQYWDIMYQFL-BFHYXJOUSA-N 1 2 295.427 3.056 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3C[C@@]34CCCOC4)c2c1 ZINC001162371297 806568532 /nfs/dbraw/zinc/56/85/32/806568532.db2.gz QOSNQSOIGGOFRA-DOTOQJQBSA-N 1 2 279.343 3.087 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3C[C@@]34CCCOC4)c2c1 ZINC001162371300 806568666 /nfs/dbraw/zinc/56/86/66/806568666.db2.gz QOSNQSOIGGOFRA-NVXWUHKLSA-N 1 2 279.343 3.087 20 30 CGEDLO C=C(C)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715719654 800145137 /nfs/dbraw/zinc/14/51/37/800145137.db2.gz DVJVZBWVLHRIKG-UHFFFAOYSA-N 1 2 288.160 3.350 20 30 CGEDLO C#Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000809537538 800442773 /nfs/dbraw/zinc/44/27/73/800442773.db2.gz MWQCRXHCMLLUJD-UHFFFAOYSA-N 1 2 273.339 3.466 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029456432 800868946 /nfs/dbraw/zinc/86/89/46/800868946.db2.gz CEFZVQGYIAMINE-LWEHVKOLSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029456432 800868951 /nfs/dbraw/zinc/86/89/51/800868951.db2.gz CEFZVQGYIAMINE-LWEHVKOLSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C1CCC(C(=O)NC2C[NH+](Cc3ccc(C)cc3)C2)CC1 ZINC001030900586 800899792 /nfs/dbraw/zinc/89/97/92/800899792.db2.gz ULTITRBDDHVENM-UHFFFAOYSA-N 1 2 298.430 3.042 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385196 800962268 /nfs/dbraw/zinc/96/22/68/800962268.db2.gz QMRSVWWOPYUDHN-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385196 800962275 /nfs/dbraw/zinc/96/22/75/800962275.db2.gz QMRSVWWOPYUDHN-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001039821856 801166903 /nfs/dbraw/zinc/16/69/03/801166903.db2.gz VKVGUWSKIVAMMH-YLXGSJGQSA-N 1 2 296.842 3.016 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001039821856 801166908 /nfs/dbraw/zinc/16/69/08/801166908.db2.gz VKVGUWSKIVAMMH-YLXGSJGQSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2ccsc2C)C1 ZINC001046297776 801308534 /nfs/dbraw/zinc/30/85/34/801308534.db2.gz HXPSIHWSYNGSTI-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2ccsc2C)C1 ZINC001046297776 801308541 /nfs/dbraw/zinc/30/85/41/801308541.db2.gz HXPSIHWSYNGSTI-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001109085307 802108911 /nfs/dbraw/zinc/10/89/11/802108911.db2.gz CFUYTKGHWSSYMQ-FRDZHKLRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001109085307 802108915 /nfs/dbraw/zinc/10/89/15/802108915.db2.gz CFUYTKGHWSSYMQ-FRDZHKLRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CC[NH+]1CCN(c2nc3ccccc3cc2Cl)CC1 ZINC001165031279 806966867 /nfs/dbraw/zinc/96/68/67/806966867.db2.gz BNJCHZPXXFJWPV-UHFFFAOYSA-N 1 2 287.794 3.196 20 30 CGEDLO N#C[C@H]1CC=C(c2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC001243801235 803019385 /nfs/dbraw/zinc/01/93/85/803019385.db2.gz XQNZFAALFPPSLN-ZDUSSCGKSA-N 1 2 264.332 3.033 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131824855 803348512 /nfs/dbraw/zinc/34/85/12/803348512.db2.gz DPJSTRBNHCDNGT-KBPBESRZSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131824855 803348518 /nfs/dbraw/zinc/34/85/18/803348518.db2.gz DPJSTRBNHCDNGT-KBPBESRZSA-N 1 2 286.847 3.288 20 30 CGEDLO Cc1csc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1Cl ZINC001137289367 803709813 /nfs/dbraw/zinc/70/98/13/803709813.db2.gz ZIGJOEPJTUOSKF-SNVBAGLBSA-N 1 2 299.848 3.484 20 30 CGEDLO COc1ccc(F)cc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001138370663 803906863 /nfs/dbraw/zinc/90/68/63/803906863.db2.gz HVJGRNHILTUNGX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(F)cc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001138370663 803906869 /nfs/dbraw/zinc/90/68/69/803906869.db2.gz HVJGRNHILTUNGX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)(C)c1n[nH]cc1C[N@H+](CCC#N)C1CCCC1 ZINC001138579649 803971850 /nfs/dbraw/zinc/97/18/50/803971850.db2.gz UFXKMXNXNCFDDZ-UHFFFAOYSA-N 1 2 274.412 3.365 20 30 CGEDLO CC(C)(C)c1n[nH]cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001138579649 803971856 /nfs/dbraw/zinc/97/18/56/803971856.db2.gz UFXKMXNXNCFDDZ-UHFFFAOYSA-N 1 2 274.412 3.365 20 30 CGEDLO N#CCC[N@@H+](Cc1ccnc(Cl)c1)C1CCCC1 ZINC001138820411 804046733 /nfs/dbraw/zinc/04/67/33/804046733.db2.gz JHZQVMYBQOTCQW-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1ccnc(Cl)c1)C1CCCC1 ZINC001138820411 804046740 /nfs/dbraw/zinc/04/67/40/804046740.db2.gz JHZQVMYBQOTCQW-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139081265 804126171 /nfs/dbraw/zinc/12/61/71/804126171.db2.gz DWLQFXQHLJLLDT-OAHLLOKOSA-N 1 2 294.358 3.004 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139081265 804126178 /nfs/dbraw/zinc/12/61/78/804126178.db2.gz DWLQFXQHLJLLDT-OAHLLOKOSA-N 1 2 294.358 3.004 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1F ZINC001139663187 804246729 /nfs/dbraw/zinc/24/67/29/804246729.db2.gz BNQHPFDAZQEJDT-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1F ZINC001139663187 804246737 /nfs/dbraw/zinc/24/67/37/804246737.db2.gz BNQHPFDAZQEJDT-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO CCCC[N@H+](CC(=O)OCC)Cc1ccc(C)c(C#N)c1 ZINC001139726185 804267807 /nfs/dbraw/zinc/26/78/07/804267807.db2.gz YDMORFFOJKNIOS-UHFFFAOYSA-N 1 2 288.391 3.032 20 30 CGEDLO CCCC[N@@H+](CC(=O)OCC)Cc1ccc(C)c(C#N)c1 ZINC001139726185 804267814 /nfs/dbraw/zinc/26/78/14/804267814.db2.gz YDMORFFOJKNIOS-UHFFFAOYSA-N 1 2 288.391 3.032 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873176 804306479 /nfs/dbraw/zinc/30/64/79/804306479.db2.gz DGNUUCTYMACLFX-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873176 804306489 /nfs/dbraw/zinc/30/64/89/804306489.db2.gz DGNUUCTYMACLFX-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc2n[nH]cc2c1 ZINC001140381810 804426638 /nfs/dbraw/zinc/42/66/38/804426638.db2.gz BLBYXRUHZSUBCG-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2n[nH]cc2c1 ZINC001140381810 804426641 /nfs/dbraw/zinc/42/66/41/804426641.db2.gz BLBYXRUHZSUBCG-UHFFFAOYSA-N 1 2 290.370 3.479 20 30 CGEDLO CCCCCC(CCCCC)N1CC[NH2+]C[C@@H]1C#N ZINC001246592320 804433399 /nfs/dbraw/zinc/43/33/99/804433399.db2.gz LGDUVZKASCVLPJ-INIZCTEOSA-N 1 2 265.445 3.313 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941308 804554463 /nfs/dbraw/zinc/55/44/63/804554463.db2.gz FKOSBXYXZWTLBK-CYBMUJFWSA-N 1 2 285.778 3.476 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140941308 804554467 /nfs/dbraw/zinc/55/44/67/804554467.db2.gz FKOSBXYXZWTLBK-CYBMUJFWSA-N 1 2 285.778 3.476 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(Br)cc(Cl)c1F ZINC001141600669 804656352 /nfs/dbraw/zinc/65/63/52/804656352.db2.gz MNZOYQVLJAYHSA-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(Br)cc(Cl)c1F ZINC001141600669 804656355 /nfs/dbraw/zinc/65/63/55/804656355.db2.gz MNZOYQVLJAYHSA-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001143412505 804850868 /nfs/dbraw/zinc/85/08/68/804850868.db2.gz YRFNTXHATUYTBY-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143412505 804850876 /nfs/dbraw/zinc/85/08/76/804850876.db2.gz YRFNTXHATUYTBY-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143468002 804856947 /nfs/dbraw/zinc/85/69/47/804856947.db2.gz AIFAWKOAOJZNDY-NSHDSACASA-N 1 2 284.281 3.239 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143468002 804856956 /nfs/dbraw/zinc/85/69/56/804856956.db2.gz AIFAWKOAOJZNDY-NSHDSACASA-N 1 2 284.281 3.239 20 30 CGEDLO COC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143716039 804887107 /nfs/dbraw/zinc/88/71/07/804887107.db2.gz AXEKYTOWHVMEJW-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO COC[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143716039 804887115 /nfs/dbraw/zinc/88/71/15/804887115.db2.gz AXEKYTOWHVMEJW-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(F)CC1 ZINC001143716778 804888447 /nfs/dbraw/zinc/88/84/47/804888447.db2.gz VPPKXHGJVDDNFA-UHFFFAOYSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143730936 804888687 /nfs/dbraw/zinc/88/86/87/804888687.db2.gz HDMWDPLZXJKNON-DEZZGGKRSA-N 1 2 285.778 3.478 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143730936 804888693 /nfs/dbraw/zinc/88/86/93/804888693.db2.gz HDMWDPLZXJKNON-DEZZGGKRSA-N 1 2 285.778 3.478 20 30 CGEDLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143943199 804912562 /nfs/dbraw/zinc/91/25/62/804912562.db2.gz TTZHZMXOJJXLQM-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143943199 804912565 /nfs/dbraw/zinc/91/25/65/804912565.db2.gz TTZHZMXOJJXLQM-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO C=CC[C@@H](C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001144021910 804925239 /nfs/dbraw/zinc/92/52/39/804925239.db2.gz VDFXZKILOFDPBY-CYBMUJFWSA-N 1 2 269.348 3.082 20 30 CGEDLO Cc1nc(C[N@@H+]2CCc3ccc(C#N)cc3C2)sc1C ZINC001144359454 804977772 /nfs/dbraw/zinc/97/77/72/804977772.db2.gz AKWKOZFPCWIMCK-UHFFFAOYSA-N 1 2 283.400 3.190 20 30 CGEDLO Cc1nc(C[N@H+]2CCc3ccc(C#N)cc3C2)sc1C ZINC001144359454 804977777 /nfs/dbraw/zinc/97/77/77/804977777.db2.gz AKWKOZFPCWIMCK-UHFFFAOYSA-N 1 2 283.400 3.190 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cc(Br)c1 ZINC001144693555 805035236 /nfs/dbraw/zinc/03/52/36/805035236.db2.gz MQHLIBKQFYBIDA-UHFFFAOYSA-N 1 2 296.595 3.171 20 30 CGEDLO CC[N@H+](Cc1cccnc1)Cc1cccc(C#N)c1F ZINC001249686226 805211550 /nfs/dbraw/zinc/21/15/50/805211550.db2.gz ZPVHRRLAQQFMRU-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1F ZINC001249686226 805211558 /nfs/dbraw/zinc/21/15/58/805211558.db2.gz ZPVHRRLAQQFMRU-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(Cl)c2OC)cc[nH+]1 ZINC001250099431 805416752 /nfs/dbraw/zinc/41/67/52/805416752.db2.gz MWIADAWNFXOVTM-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO C[C@@H]1[C@@H](C)CCCN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166612620 807066905 /nfs/dbraw/zinc/06/69/05/807066905.db2.gz PHTLSUQQEYMQKI-WDEREUQCSA-N 1 2 254.337 3.059 20 30 CGEDLO CCC[C@@H](C)CC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257463387 807169262 /nfs/dbraw/zinc/16/92/62/807169262.db2.gz MRJTWAWCNILDOI-AGIUHOORSA-N 1 2 275.458 3.042 20 30 CGEDLO N#Cc1ccc(CCNc2c[nH+]c3c(c2)CCC3)cc1 ZINC001167679367 807226707 /nfs/dbraw/zinc/22/67/07/807226707.db2.gz QJHAVEZFZPYRHW-UHFFFAOYSA-N 1 2 263.344 3.097 20 30 CGEDLO N#CCCCCNc1c(Br)ccc2[nH+]ccn21 ZINC001168436588 807414075 /nfs/dbraw/zinc/41/40/75/807414075.db2.gz PVQSWEHFVHQABO-UHFFFAOYSA-N 1 2 293.168 3.203 20 30 CGEDLO COc1ccc(Nc2[nH+]c(C)ccc2C)c(C#N)c1 ZINC001212780752 815134987 /nfs/dbraw/zinc/13/49/87/815134987.db2.gz FNRZRKVMCZMOME-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C#C[C@](C)(CC)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001169701292 807692944 /nfs/dbraw/zinc/69/29/44/807692944.db2.gz GFTNVNRRDVRKPB-MRXNPFEDSA-N 1 2 253.349 3.145 20 30 CGEDLO C=CC[C@H](Nc1cc([NH+](CC)CC)ccc1C)C(=O)OC ZINC001169844338 807714785 /nfs/dbraw/zinc/71/47/85/807714785.db2.gz IUKDHKMGJVEKHS-HNNXBMFYSA-N 1 2 290.407 3.371 20 30 CGEDLO CC(C)(S)CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001170302263 807822235 /nfs/dbraw/zinc/82/22/35/807822235.db2.gz CCHAAGSYOUWUEV-UHFFFAOYSA-N 1 2 259.378 3.264 20 30 CGEDLO CCCC[N@H+](CC#N)[C@H]1CCc2c(F)cccc2C1 ZINC001171438821 808056341 /nfs/dbraw/zinc/05/63/41/808056341.db2.gz VQUVNXIKELHRAZ-AWEZNQCLSA-N 1 2 260.356 3.309 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2c(F)cccc2C1 ZINC001171438821 808056347 /nfs/dbraw/zinc/05/63/47/808056347.db2.gz VQUVNXIKELHRAZ-AWEZNQCLSA-N 1 2 260.356 3.309 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)C1 ZINC001265222622 808120948 /nfs/dbraw/zinc/12/09/48/808120948.db2.gz IGNXWXYQIRTTNA-CQSZACIVSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)C1 ZINC001265222622 808120951 /nfs/dbraw/zinc/12/09/51/808120951.db2.gz IGNXWXYQIRTTNA-CQSZACIVSA-N 1 2 284.831 3.066 20 30 CGEDLO CCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OCC)[C@@H](C)O ZINC001172347715 808246895 /nfs/dbraw/zinc/24/68/95/808246895.db2.gz YBNXCWDTYYERQM-KFWWJZLASA-N 1 2 287.444 3.028 20 30 CGEDLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@@H]1C ZINC001172374953 808270514 /nfs/dbraw/zinc/27/05/14/808270514.db2.gz QMTIAUORGOZJQV-XWUBHJNHSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@@H]1C ZINC001172374953 808270518 /nfs/dbraw/zinc/27/05/18/808270518.db2.gz QMTIAUORGOZJQV-XWUBHJNHSA-N 1 2 265.422 3.085 20 30 CGEDLO CCCCCC[C@@H](CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001172379757 808272778 /nfs/dbraw/zinc/27/27/78/808272778.db2.gz VXJFCJMOZNMSDS-OLZOCXBDSA-N 1 2 275.458 3.187 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H](CCC)CCCCCC)C(=O)OC ZINC001172385933 808278565 /nfs/dbraw/zinc/27/85/65/808278565.db2.gz BFBLHARTYCDBSQ-GJZGRUSLSA-N 1 2 267.413 3.280 20 30 CGEDLO CCCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001172506081 808362167 /nfs/dbraw/zinc/36/21/67/808362167.db2.gz NCIBJDRMMCGGNS-KFWWJZLASA-N 1 2 287.444 3.028 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@H](C#N)C1 ZINC001172868076 808469654 /nfs/dbraw/zinc/46/96/54/808469654.db2.gz DHPURSMCWNQSRY-WDEREUQCSA-N 1 2 266.747 3.256 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@H](C#N)C1 ZINC001172868076 808469656 /nfs/dbraw/zinc/46/96/56/808469656.db2.gz DHPURSMCWNQSRY-WDEREUQCSA-N 1 2 266.747 3.256 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)CCCC)C1 ZINC001267761990 808487336 /nfs/dbraw/zinc/48/73/36/808487336.db2.gz MQUQPNUDQRAATF-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CCCC)C1 ZINC001267761990 808487340 /nfs/dbraw/zinc/48/73/40/808487340.db2.gz MQUQPNUDQRAATF-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173044847 808499879 /nfs/dbraw/zinc/49/98/79/808499879.db2.gz GJGWAJNFBBVPGM-UHFFFAOYSA-N 1 2 264.413 3.398 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001269087852 808647961 /nfs/dbraw/zinc/64/79/61/808647961.db2.gz CBOUENIFEOMUHR-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001269087852 808647966 /nfs/dbraw/zinc/64/79/66/808647966.db2.gz CBOUENIFEOMUHR-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO N#Cc1nn(-c2cc[nH+]c3ccccc32)c2ccc(N)cc12 ZINC001174038628 808837405 /nfs/dbraw/zinc/83/74/05/808837405.db2.gz DRPJYQKWGAEVNU-UHFFFAOYSA-N 1 2 285.310 3.028 20 30 CGEDLO CC(C)Oc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001174113641 808874146 /nfs/dbraw/zinc/87/41/46/808874146.db2.gz HCPMTOLFOMNERF-UHFFFAOYSA-N 1 2 285.347 3.113 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001275963955 808981018 /nfs/dbraw/zinc/98/10/18/808981018.db2.gz WMLDRBFCGFULOS-WCQYABFASA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001275963955 808981021 /nfs/dbraw/zinc/98/10/21/808981021.db2.gz WMLDRBFCGFULOS-WCQYABFASA-N 1 2 274.836 3.002 20 30 CGEDLO N#Cc1ncc(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522082 809060406 /nfs/dbraw/zinc/06/04/06/809060406.db2.gz HZAJMTNYZRRHTR-UHFFFAOYSA-N 1 2 297.337 3.221 20 30 CGEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(N)c1 ZINC001213358358 815269619 /nfs/dbraw/zinc/26/96/19/815269619.db2.gz XCKXTSIBOKRLJS-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO N#Cc1sccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175348128 809371623 /nfs/dbraw/zinc/37/16/23/809371623.db2.gz ABWIPKGIODPZIF-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO CC[C@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001292865152 809438932 /nfs/dbraw/zinc/43/89/32/809438932.db2.gz POXPPKAQJZSHAF-MRXNPFEDSA-N 1 2 282.347 3.059 20 30 CGEDLO Cc1c[nH+]cc(Nc2c(C)cc(C#N)cc2C#N)c1C ZINC001213532992 815301159 /nfs/dbraw/zinc/30/11/59/815301159.db2.gz ZSMAATTZNNOKMO-UHFFFAOYSA-N 1 2 262.316 3.494 20 30 CGEDLO COc1cc[nH+]cc1Nc1c(C)ccc(C)c1C#N ZINC001176124054 809630453 /nfs/dbraw/zinc/63/04/53/809630453.db2.gz HKOKDASUOWOZEZ-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1cccc(O)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001184963846 810225452 /nfs/dbraw/zinc/22/54/52/810225452.db2.gz CMCFCZOHEUYLNA-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC001196275029 811329996 /nfs/dbraw/zinc/32/99/96/811329996.db2.gz LAJNIHVFDJMRAT-LBPRGKRZSA-N 1 2 264.328 3.341 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1Cc2ccc(O)cc2C1 ZINC001196275029 811330005 /nfs/dbraw/zinc/33/00/05/811330005.db2.gz LAJNIHVFDJMRAT-LBPRGKRZSA-N 1 2 264.328 3.341 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844417 811547575 /nfs/dbraw/zinc/54/75/75/811547575.db2.gz LNHWGVOYDSTUPP-ZWNOBZJWSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844417 811547579 /nfs/dbraw/zinc/54/75/79/811547579.db2.gz LNHWGVOYDSTUPP-ZWNOBZJWSA-N 1 2 262.303 3.015 20 30 CGEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(F)c(C#N)c2)c[nH+]1 ZINC001199705008 811589552 /nfs/dbraw/zinc/58/95/52/811589552.db2.gz HJPIFDCQABJANB-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc(N)[nH+]c1 ZINC001201285699 811806380 /nfs/dbraw/zinc/80/63/80/811806380.db2.gz MNWRDAWSEARPQZ-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO C#CCOc1ccccc1CNc1c[nH+]c(C)c(C)c1 ZINC001203485994 812373944 /nfs/dbraw/zinc/37/39/44/812373944.db2.gz SRPPRZOMVTXLRU-UHFFFAOYSA-N 1 2 266.344 3.323 20 30 CGEDLO COc1cc(C#N)c(Nc2cc(C)c[nH+]c2C)cc1OC ZINC001203662978 812420283 /nfs/dbraw/zinc/42/02/83/812420283.db2.gz BJVBFDCZWTWITA-UHFFFAOYSA-N 1 2 283.331 3.331 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]2S1 ZINC001203797743 812464251 /nfs/dbraw/zinc/46/42/51/812464251.db2.gz PKDCFBXZSVMLPS-ZDUSSCGKSA-N 1 2 279.792 3.114 20 30 CGEDLO O=C1C=C2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]2S1 ZINC001203797743 812464254 /nfs/dbraw/zinc/46/42/54/812464254.db2.gz PKDCFBXZSVMLPS-ZDUSSCGKSA-N 1 2 279.792 3.114 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204463262 812648333 /nfs/dbraw/zinc/64/83/33/812648333.db2.gz LDVIAPRFCJLGFE-UHFFFAOYSA-N 1 2 272.245 3.190 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001208118191 813696815 /nfs/dbraw/zinc/69/68/15/813696815.db2.gz DZCLQVGKFJUMCW-FEAKQIBJSA-N 1 2 287.469 3.022 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001208118191 813696822 /nfs/dbraw/zinc/69/68/22/813696822.db2.gz DZCLQVGKFJUMCW-FEAKQIBJSA-N 1 2 287.469 3.022 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(OC)c(Cl)cc2F)C1 ZINC001209665674 814111197 /nfs/dbraw/zinc/11/11/97/814111197.db2.gz ANYQYDXTPVMRPH-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(OC)c(Cl)cc2F)C1 ZINC001209665674 814111201 /nfs/dbraw/zinc/11/12/01/814111201.db2.gz ANYQYDXTPVMRPH-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO N#CCC[N@H+](Cc1cnccn1)C1CCCCCCC1 ZINC001209781491 814138013 /nfs/dbraw/zinc/13/80/13/814138013.db2.gz PCBVORFRXVTVCZ-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#CCC[N@@H+](Cc1cnccn1)C1CCCCCCC1 ZINC001209781491 814138022 /nfs/dbraw/zinc/13/80/22/814138022.db2.gz PCBVORFRXVTVCZ-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO Cc1ccc(C#N)cc1Nc1ccc2c(c1)[nH+]cn2C ZINC001210501583 814492508 /nfs/dbraw/zinc/49/25/08/814492508.db2.gz MNHKSYQZNFNFJZ-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO CCc1[nH+]ccc(C)c1Nc1ccc(O)c(C#N)c1 ZINC001210529292 814510795 /nfs/dbraw/zinc/51/07/95/814510795.db2.gz DJDLTVITRBUJKO-UHFFFAOYSA-N 1 2 253.305 3.273 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001211178235 814842499 /nfs/dbraw/zinc/84/24/99/814842499.db2.gz ZLGQJLDNBVBCGO-DGCLKSJQSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001211178235 814842501 /nfs/dbraw/zinc/84/25/01/814842501.db2.gz ZLGQJLDNBVBCGO-DGCLKSJQSA-N 1 2 286.847 3.002 20 30 CGEDLO C#Cc1cc(Nc2ccnc(Oc3ccccc3)c2)cc[nH+]1 ZINC001215772914 815586351 /nfs/dbraw/zinc/58/63/51/815586351.db2.gz CJBZXJQQYRACRS-UHFFFAOYSA-N 1 2 287.322 3.416 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)Oc1ccc[nH+]c1N ZINC001218348430 816173913 /nfs/dbraw/zinc/17/39/13/816173913.db2.gz QCHVYRMWPFAFRF-GFCCVEGCSA-N 1 2 270.332 3.369 20 30 CGEDLO CCOC(=[NH2+])CCCCO[C@@H](C#N)c1ccccc1 ZINC001224963007 816918899 /nfs/dbraw/zinc/91/88/99/816918899.db2.gz DXMPBNDCNFQBME-AWEZNQCLSA-N 1 2 260.337 3.452 20 30 CGEDLO CCOC(=[NH2+])CCCCO[C@H](C)C#C[Si](C)(C)C ZINC001224968240 816920614 /nfs/dbraw/zinc/92/06/14/816920614.db2.gz YYRUJDHICGBQBT-CYBMUJFWSA-N 1 2 269.461 3.456 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2cccc(C)c2C1 ZINC001231616736 818138410 /nfs/dbraw/zinc/13/84/10/818138410.db2.gz LZAOURMDDZYHJA-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2cccc(C)c2C1 ZINC001231616736 818138417 /nfs/dbraw/zinc/13/84/17/818138417.db2.gz LZAOURMDDZYHJA-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001231652665 818149089 /nfs/dbraw/zinc/14/90/89/818149089.db2.gz HPXNMPHPHAEJGZ-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001231652665 818149094 /nfs/dbraw/zinc/14/90/94/818149094.db2.gz HPXNMPHPHAEJGZ-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO C#Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001231659602 818152210 /nfs/dbraw/zinc/15/22/10/818152210.db2.gz PMOJZJYIDLNRRJ-QGZVFWFLSA-N 1 2 299.414 3.364 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC001231659602 818152214 /nfs/dbraw/zinc/15/22/14/818152214.db2.gz PMOJZJYIDLNRRJ-QGZVFWFLSA-N 1 2 299.414 3.364 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1Cl ZINC001231958879 818216172 /nfs/dbraw/zinc/21/61/72/818216172.db2.gz COMMZDCFQFTFMY-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1Cl ZINC001231958879 818216175 /nfs/dbraw/zinc/21/61/75/818216175.db2.gz COMMZDCFQFTFMY-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(F)ccc1C#N ZINC001232891773 818466773 /nfs/dbraw/zinc/46/67/73/818466773.db2.gz PGQKXNMAUAPZAN-UHFFFAOYSA-N 1 2 296.345 3.402 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(F)ccc1C#N ZINC001232891773 818466778 /nfs/dbraw/zinc/46/67/78/818466778.db2.gz PGQKXNMAUAPZAN-UHFFFAOYSA-N 1 2 296.345 3.402 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)ccc1Br ZINC001232898570 818468451 /nfs/dbraw/zinc/46/84/51/818468451.db2.gz XPVTVOLPEPYVNY-SMDDNHRTSA-N 1 2 291.192 3.305 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@H]3C[C@H]32)ccc1Br ZINC001232898570 818468454 /nfs/dbraw/zinc/46/84/54/818468454.db2.gz XPVTVOLPEPYVNY-SMDDNHRTSA-N 1 2 291.192 3.305 20 30 CGEDLO Cc1ccc(C[N@@H+](C)C2CC(F)(F)C2)c(C#N)c1 ZINC001232963133 818483896 /nfs/dbraw/zinc/48/38/96/818483896.db2.gz YFTTYMIEOGHKQR-UHFFFAOYSA-N 1 2 250.292 3.096 20 30 CGEDLO Cc1ccc(C[N@H+](C)C2CC(F)(F)C2)c(C#N)c1 ZINC001232963133 818483898 /nfs/dbraw/zinc/48/38/98/818483898.db2.gz YFTTYMIEOGHKQR-UHFFFAOYSA-N 1 2 250.292 3.096 20 30 CGEDLO COc1cc(Cl)cc(F)c1C[NH+]1CCC(S)CC1 ZINC001233003720 818496835 /nfs/dbraw/zinc/49/68/35/818496835.db2.gz RTSOKALPEXXPCF-UHFFFAOYSA-N 1 2 289.803 3.382 20 30 CGEDLO Cc1ccc(OC2CC[NH+](Cc3[nH]ccc3C#N)CC2)cc1 ZINC001233044446 818507929 /nfs/dbraw/zinc/50/79/29/818507929.db2.gz OTFSQNHIYVXRNA-UHFFFAOYSA-N 1 2 295.386 3.238 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233358725 818595263 /nfs/dbraw/zinc/59/52/63/818595263.db2.gz RZVGQFIVSHHDGU-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233358725 818595267 /nfs/dbraw/zinc/59/52/67/818595267.db2.gz RZVGQFIVSHHDGU-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ncc(C[N@H+](CCC#N)C2CCCC2)cc1Cl ZINC001235700541 819144750 /nfs/dbraw/zinc/14/47/50/819144750.db2.gz JAWHLHBCRDJOFS-UHFFFAOYSA-N 1 2 293.798 3.402 20 30 CGEDLO COc1ncc(C[N@@H+](CCC#N)C2CCCC2)cc1Cl ZINC001235700541 819144754 /nfs/dbraw/zinc/14/47/54/819144754.db2.gz JAWHLHBCRDJOFS-UHFFFAOYSA-N 1 2 293.798 3.402 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1F ZINC001236934572 819638284 /nfs/dbraw/zinc/63/82/84/819638284.db2.gz YIVJCINOAOYBQT-UHFFFAOYSA-N 1 2 299.411 3.017 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1F ZINC001236934572 819638286 /nfs/dbraw/zinc/63/82/86/819638286.db2.gz YIVJCINOAOYBQT-UHFFFAOYSA-N 1 2 299.411 3.017 20 30 CGEDLO Oc1c(F)cc(C[NH+]2CCC(S)CC2)cc1Cl ZINC001237997773 819907308 /nfs/dbraw/zinc/90/73/08/819907308.db2.gz PBKXQABMKITINY-UHFFFAOYSA-N 1 2 275.776 3.079 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(OCC)cc(C(F)(F)F)c1 ZINC001238496752 820023673 /nfs/dbraw/zinc/02/36/73/820023673.db2.gz DKHXDDKDJRCXAB-UHFFFAOYSA-N 1 2 295.304 3.173 20 30 CGEDLO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(F)cn1 ZINC001238734152 820106473 /nfs/dbraw/zinc/10/64/73/820106473.db2.gz KCZBOZSUSCOVSS-UHFFFAOYSA-N 1 2 299.349 3.123 20 30 CGEDLO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)cn1 ZINC001238734152 820106476 /nfs/dbraw/zinc/10/64/76/820106476.db2.gz KCZBOZSUSCOVSS-UHFFFAOYSA-N 1 2 299.349 3.123 20 30 CGEDLO Cc1cc(C#N)cc(-c2c[nH+]c(N3CCOCC3)cc2C)c1 ZINC001242478410 823006452 /nfs/dbraw/zinc/00/64/52/823006452.db2.gz ZWRMGPDLWQRKCE-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001347255211 936875700 /nfs/dbraw/zinc/87/57/00/936875700.db2.gz AVQWTQAIJORHBU-OAHLLOKOSA-N 1 2 292.810 3.169 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC001347826934 936897672 /nfs/dbraw/zinc/89/76/72/936897672.db2.gz NRBHNXSBJAHGHW-UHFFFAOYSA-N 1 2 258.365 3.261 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC001347826934 936897676 /nfs/dbraw/zinc/89/76/76/936897676.db2.gz NRBHNXSBJAHGHW-UHFFFAOYSA-N 1 2 258.365 3.261 20 30 CGEDLO N#Cc1ccccc1CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167635188 926801018 /nfs/dbraw/zinc/80/10/18/926801018.db2.gz JQIPDYXUCLWRSB-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001481192514 926905412 /nfs/dbraw/zinc/90/54/12/926905412.db2.gz WEYRUGAYGPZJIF-ZBFHGGJFSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001481192514 926905427 /nfs/dbraw/zinc/90/54/27/926905427.db2.gz WEYRUGAYGPZJIF-ZBFHGGJFSA-N 1 2 298.858 3.002 20 30 CGEDLO N#CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000425997092 927110315 /nfs/dbraw/zinc/11/03/15/927110315.db2.gz AIJDFMCFFLJASK-UHFFFAOYSA-N 1 2 262.259 3.228 20 30 CGEDLO COc1ccc2cc(NCCCCC#N)[nH+]cc2c1 ZINC001168428218 927572484 /nfs/dbraw/zinc/57/24/84/927572484.db2.gz YSNNZJLRBGOPOG-UHFFFAOYSA-N 1 2 255.321 3.349 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H]1C ZINC001375663121 937239630 /nfs/dbraw/zinc/23/96/30/937239630.db2.gz WVKGVZUJSOIMFB-UPJWGTAASA-N 1 2 286.847 3.000 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490430727 928361245 /nfs/dbraw/zinc/36/12/45/928361245.db2.gz KFJWOXHTYVTRDB-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001490430727 928361259 /nfs/dbraw/zinc/36/12/59/928361259.db2.gz KFJWOXHTYVTRDB-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H]1C ZINC001375663121 937239632 /nfs/dbraw/zinc/23/96/32/937239632.db2.gz WVKGVZUJSOIMFB-UPJWGTAASA-N 1 2 286.847 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001491225313 928846780 /nfs/dbraw/zinc/84/67/80/928846780.db2.gz XNYHFWVOAVOOPU-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001491225313 928846792 /nfs/dbraw/zinc/84/67/92/928846792.db2.gz XNYHFWVOAVOOPU-OAHLLOKOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=CCN(Cc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001440827302 937333571 /nfs/dbraw/zinc/33/35/71/937333571.db2.gz HORRVRYYOQNFCR-UHFFFAOYSA-N 1 2 291.354 3.391 20 30 CGEDLO CC#CC[C@H](CC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953694 932508048 /nfs/dbraw/zinc/50/80/48/932508048.db2.gz CZSGUKXQBVVJBS-HNNXBMFYSA-N 1 2 254.333 3.443 20 30 CGEDLO C#C[C@@H]1CCC[C@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080893 932674867 /nfs/dbraw/zinc/67/48/67/932674867.db2.gz ILIFCSSYAJQUMH-IUODEOHRSA-N 1 2 252.317 3.257 20 30 CGEDLO C#C[C@@H](CCC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084103 932676260 /nfs/dbraw/zinc/67/62/60/932676260.db2.gz WSCMDTXUIDMFFW-AWEZNQCLSA-N 1 2 254.333 3.268 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001307818166 933004921 /nfs/dbraw/zinc/00/49/21/933004921.db2.gz CFNJFPIIVVWKKB-WCQYABFASA-N 1 2 279.405 3.249 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC001307818166 933004923 /nfs/dbraw/zinc/00/49/23/933004923.db2.gz CFNJFPIIVVWKKB-WCQYABFASA-N 1 2 279.405 3.249 20 30 CGEDLO C#CC[N@H+](Cc1ccsc1Br)CC1CC1 ZINC001308604376 933141109 /nfs/dbraw/zinc/14/11/09/933141109.db2.gz XLGAYFKFPCAPGK-UHFFFAOYSA-N 1 2 284.222 3.356 20 30 CGEDLO C#CC[N@@H+](Cc1ccsc1Br)CC1CC1 ZINC001308604376 933141104 /nfs/dbraw/zinc/14/11/04/933141104.db2.gz XLGAYFKFPCAPGK-UHFFFAOYSA-N 1 2 284.222 3.356 20 30 CGEDLO N#Cc1sccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001464568313 937692366 /nfs/dbraw/zinc/69/23/66/937692366.db2.gz FKAMLNLHZPOVPG-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)CC1CC1 ZINC001319666882 933911790 /nfs/dbraw/zinc/91/17/90/933911790.db2.gz OBMZUZTUQZAZRP-UHFFFAOYSA-N 1 2 299.349 3.029 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)CC1CC1 ZINC001319666882 933911798 /nfs/dbraw/zinc/91/17/98/933911798.db2.gz OBMZUZTUQZAZRP-UHFFFAOYSA-N 1 2 299.349 3.029 20 30 CGEDLO C=CCO[C@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001320321183 934028967 /nfs/dbraw/zinc/02/89/67/934028967.db2.gz XMXHBXWUWKEAHV-AWEZNQCLSA-N 1 2 268.360 3.325 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1cccc(C)c1)C(=O)OCC ZINC001321147039 934155913 /nfs/dbraw/zinc/15/59/13/934155913.db2.gz ACJIZFXOJQKQTB-DOTOQJQBSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C[C@H](COC)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001321239954 934167783 /nfs/dbraw/zinc/16/77/83/934167783.db2.gz QBJHYOFUSWYANY-GFCCVEGCSA-N 1 2 263.385 3.336 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2CCOCC2)c1 ZINC001321825891 934214728 /nfs/dbraw/zinc/21/47/28/934214728.db2.gz AQNULUZJMPETKT-ATVHPVEESA-N 1 2 277.364 3.027 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)OCC ZINC001324625385 934534406 /nfs/dbraw/zinc/53/44/06/934534406.db2.gz NEWCPOPTTLQKMM-LZWOXQAQSA-N 1 2 275.392 3.276 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC001473137245 937794490 /nfs/dbraw/zinc/79/44/90/937794490.db2.gz RXOPOCFRRVFEHV-OAHLLOKOSA-N 1 2 267.376 3.106 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC001473137245 937794492 /nfs/dbraw/zinc/79/44/92/937794492.db2.gz RXOPOCFRRVFEHV-OAHLLOKOSA-N 1 2 267.376 3.106 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001473209035 937797572 /nfs/dbraw/zinc/79/75/72/937797572.db2.gz KVSYLNVIUGZMPC-MJGOQNOKSA-N 1 2 299.414 3.084 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001473209035 937797573 /nfs/dbraw/zinc/79/75/73/937797573.db2.gz KVSYLNVIUGZMPC-MJGOQNOKSA-N 1 2 299.414 3.084 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccnc3ccccc32)c(Cl)c1 ZINC001333671798 935559109 /nfs/dbraw/zinc/55/91/09/935559109.db2.gz ACIJJTYNSOTEJE-UHFFFAOYSA-N 1 2 296.761 3.338 20 30 CGEDLO C=C[C@H](CC)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001334111116 936085692 /nfs/dbraw/zinc/08/56/92/936085692.db2.gz JZXYPSOPHHLKCZ-CYBMUJFWSA-N 1 2 269.348 3.413 20 30 CGEDLO Cc1cc(F)c(C#N)c(NCCCCn2cc[nH+]c2)c1 ZINC001334188678 936089986 /nfs/dbraw/zinc/08/99/86/936089986.db2.gz UARRFAJNNFLKQY-UHFFFAOYSA-N 1 2 272.327 3.095 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001494285025 937953940 /nfs/dbraw/zinc/95/39/40/937953940.db2.gz LKSTZCSOKXNDGM-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001494285025 937953941 /nfs/dbraw/zinc/95/39/41/937953941.db2.gz LKSTZCSOKXNDGM-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCCC)cc2C1 ZINC001502648574 937982680 /nfs/dbraw/zinc/98/26/80/937982680.db2.gz PFAOWPYUNCDHEN-HNNXBMFYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCCC)cc2C1 ZINC001502648574 937982681 /nfs/dbraw/zinc/98/26/81/937982681.db2.gz PFAOWPYUNCDHEN-HNNXBMFYSA-N 1 2 298.430 3.078 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001543390687 938139144 /nfs/dbraw/zinc/13/91/44/938139144.db2.gz AJBFMXJYWBQDLJ-ZDUSSCGKSA-N 1 2 279.428 3.373 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560130233 938244469 /nfs/dbraw/zinc/24/44/69/938244469.db2.gz NEMRDFOGFGJOMR-GFCCVEGCSA-N 1 2 298.308 3.320 20 30 CGEDLO N#C[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560130233 938244470 /nfs/dbraw/zinc/24/44/70/938244470.db2.gz NEMRDFOGFGJOMR-GFCCVEGCSA-N 1 2 298.308 3.320 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)[C@@H]1C ZINC001571523074 960469454 /nfs/dbraw/zinc/46/94/54/960469454.db2.gz NLPFLNQBBAAOQK-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)[C@@H]1C ZINC001571523074 960469464 /nfs/dbraw/zinc/46/94/64/960469464.db2.gz NLPFLNQBBAAOQK-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)ccc1C ZINC001567352292 960592486 /nfs/dbraw/zinc/59/24/86/960592486.db2.gz KFFGFSTWIKCTHL-UHFFFAOYSA-N 1 2 294.826 3.108 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)ccc1C ZINC001567352292 960592497 /nfs/dbraw/zinc/59/24/97/960592497.db2.gz KFFGFSTWIKCTHL-UHFFFAOYSA-N 1 2 294.826 3.108 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1=CCCCCC1 ZINC001570706381 962043704 /nfs/dbraw/zinc/04/37/04/962043704.db2.gz MYKJKDXAWTYJHI-ZDUSSCGKSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1=CCCCCC1 ZINC001570706381 962043716 /nfs/dbraw/zinc/04/37/16/962043716.db2.gz MYKJKDXAWTYJHI-ZDUSSCGKSA-N 1 2 284.831 3.066 20 30 CGEDLO Cc1[nH+]c2ccccn2c1COc1ccc(C#N)cc1 ZINC000133217322 282093050 /nfs/dbraw/zinc/09/30/50/282093050.db2.gz IEIKKUYPBHLNJE-UHFFFAOYSA-N 1 2 263.300 3.093 20 30 CGEDLO CCn1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000589991907 346821036 /nfs/dbraw/zinc/82/10/36/346821036.db2.gz IWLVYPDCMGKUDY-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO CCn1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000589991907 346821041 /nfs/dbraw/zinc/82/10/41/346821041.db2.gz IWLVYPDCMGKUDY-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO N#Cc1c(Cl)cccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590688622 346863377 /nfs/dbraw/zinc/86/33/77/346863377.db2.gz YPRVQFYXIJWVNT-GFCCVEGCSA-N 1 2 286.766 3.250 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)nc1 ZINC000590754783 346871731 /nfs/dbraw/zinc/87/17/31/346871731.db2.gz LCDWKEOMKLJFPR-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)nc1 ZINC000590754783 346871732 /nfs/dbraw/zinc/87/17/32/346871732.db2.gz LCDWKEOMKLJFPR-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590956081 346890180 /nfs/dbraw/zinc/89/01/80/346890180.db2.gz PLCVHVIDAZLHLX-GFCCVEGCSA-N 1 2 296.330 3.021 20 30 CGEDLO Cc1nc(N[C@H]2CCCc3cc(C#N)ccc32)cc[nH+]1 ZINC000419011622 282191712 /nfs/dbraw/zinc/19/17/12/282191712.db2.gz BGJCJXJYEIDHPY-HNNXBMFYSA-N 1 2 264.332 3.146 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc(NC2CC2)[nH+]cn1 ZINC000591157972 346905984 /nfs/dbraw/zinc/90/59/84/346905984.db2.gz XUJXNTZUJUJFPW-HNNXBMFYSA-N 1 2 291.358 3.022 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc(NC2CC2)nc[nH+]1 ZINC000591157972 346905988 /nfs/dbraw/zinc/90/59/88/346905988.db2.gz XUJXNTZUJUJFPW-HNNXBMFYSA-N 1 2 291.358 3.022 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C(=O)OC ZINC000591376443 346918400 /nfs/dbraw/zinc/91/84/00/346918400.db2.gz FPMNRZFHSHDANS-SNPRPXQTSA-N 1 2 293.794 3.293 20 30 CGEDLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)nn1C ZINC000591501561 346926992 /nfs/dbraw/zinc/92/69/92/346926992.db2.gz QHVMADOQCDVDSF-JTQLQIEISA-N 1 2 288.782 3.104 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccccc1C#N ZINC000127923737 187340884 /nfs/dbraw/zinc/34/08/84/187340884.db2.gz SQTULZSNYMOLLR-ZDUSSCGKSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccccc1C#N ZINC000127923737 187340886 /nfs/dbraw/zinc/34/08/86/187340886.db2.gz SQTULZSNYMOLLR-ZDUSSCGKSA-N 1 2 251.333 3.146 20 30 CGEDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1[N+](=O)[O-] ZINC000592096741 346962619 /nfs/dbraw/zinc/96/26/19/346962619.db2.gz DHWUZDJAKAHXDO-GFCCVEGCSA-N 1 2 296.330 3.021 20 30 CGEDLO COCC[N@H+](Cc1ccncc1C#N)[C@H](C)c1ccccc1 ZINC000592068331 346959697 /nfs/dbraw/zinc/95/96/97/346959697.db2.gz XOJOKDDUJLDUJX-OAHLLOKOSA-N 1 2 295.386 3.163 20 30 CGEDLO COCC[N@@H+](Cc1ccncc1C#N)[C@H](C)c1ccccc1 ZINC000592068331 346959699 /nfs/dbraw/zinc/95/96/99/346959699.db2.gz XOJOKDDUJLDUJX-OAHLLOKOSA-N 1 2 295.386 3.163 20 30 CGEDLO N#Cc1cnccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000592072820 346960752 /nfs/dbraw/zinc/96/07/52/346960752.db2.gz ZBYHOPJDTFMIAQ-UHFFFAOYSA-N 1 2 283.297 3.118 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000592072820 346960755 /nfs/dbraw/zinc/96/07/55/346960755.db2.gz ZBYHOPJDTFMIAQ-UHFFFAOYSA-N 1 2 283.297 3.118 20 30 CGEDLO N#Cc1cccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)c1 ZINC000351571415 219129283 /nfs/dbraw/zinc/12/92/83/219129283.db2.gz XYUUZBBZJNDPSM-UHFFFAOYSA-N 1 2 282.734 3.122 20 30 CGEDLO N#CCC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000593038867 347031091 /nfs/dbraw/zinc/03/10/91/347031091.db2.gz JQUQZGFMEHKYDV-UHFFFAOYSA-N 1 2 279.181 3.332 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]/[C@@H](C)CCc2ccccc2)c1O ZINC000005110609 344860951 /nfs/dbraw/zinc/86/09/51/344860951.db2.gz HDMIHIHADCKVPD-MDBUFAAASA-N 1 2 298.386 3.028 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000029536564 344918179 /nfs/dbraw/zinc/91/81/79/344918179.db2.gz NDDMHVOIVIYHGS-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000029536564 344918181 /nfs/dbraw/zinc/91/81/81/344918181.db2.gz NDDMHVOIVIYHGS-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO CCc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000040765163 344965643 /nfs/dbraw/zinc/96/56/43/344965643.db2.gz CGFVGKBSBMKKLL-NSHDSACASA-N 1 2 252.321 3.084 20 30 CGEDLO COc1cc(C[N@H+](CCC#N)C2CC2)ccc1OC(F)F ZINC000052806861 345107617 /nfs/dbraw/zinc/10/76/17/345107617.db2.gz MEKWALCNYGNLHW-UHFFFAOYSA-N 1 2 296.317 3.175 20 30 CGEDLO COc1cc(C[N@@H+](CCC#N)C2CC2)ccc1OC(F)F ZINC000052806861 345107622 /nfs/dbraw/zinc/10/76/22/345107622.db2.gz MEKWALCNYGNLHW-UHFFFAOYSA-N 1 2 296.317 3.175 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841474 345889297 /nfs/dbraw/zinc/88/92/97/345889297.db2.gz JFSLDTUYIDLLAO-GOSISDBHSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841474 345889301 /nfs/dbraw/zinc/88/93/01/345889301.db2.gz JFSLDTUYIDLLAO-GOSISDBHSA-N 1 2 299.370 3.418 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(C#N)ccc1F ZINC000155398008 346152944 /nfs/dbraw/zinc/15/29/44/346152944.db2.gz ZHPCNPKSOPHHDU-UHFFFAOYSA-N 1 2 285.347 3.263 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(C#N)ccc1F ZINC000155398008 346152949 /nfs/dbraw/zinc/15/29/49/346152949.db2.gz ZHPCNPKSOPHHDU-UHFFFAOYSA-N 1 2 285.347 3.263 20 30 CGEDLO Cc1ccc(C(=O)NC[C@H](C)C#N)cc1Oc1cc[nH+]cc1 ZINC000172220018 346217550 /nfs/dbraw/zinc/21/75/50/346217550.db2.gz CNQRWWUIYGUYIT-GFCCVEGCSA-N 1 2 295.342 3.072 20 30 CGEDLO C=CCC(C)(C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000292327526 346427694 /nfs/dbraw/zinc/42/76/94/346427694.db2.gz RQWATURMEMQIAU-UHFFFAOYSA-N 1 2 290.407 3.268 20 30 CGEDLO CC[N@@H+](Cc1cn(-c2cccc(C)c2)nc1C)C[C@H](C)C#N ZINC000593569590 347091854 /nfs/dbraw/zinc/09/18/54/347091854.db2.gz MURGEQIXGZMXBK-OAHLLOKOSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[N@H+](Cc1cn(-c2cccc(C)c2)nc1C)C[C@H](C)C#N ZINC000593569590 347091856 /nfs/dbraw/zinc/09/18/56/347091856.db2.gz MURGEQIXGZMXBK-OAHLLOKOSA-N 1 2 296.418 3.471 20 30 CGEDLO COc1cc(OC)c(C[NH2+]CC2(C#N)CCCC2)cc1F ZINC000593654289 347100463 /nfs/dbraw/zinc/10/04/63/347100463.db2.gz VBCCVTUDRVXSRY-UHFFFAOYSA-N 1 2 292.354 3.016 20 30 CGEDLO COc1ccc(F)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654913 347101183 /nfs/dbraw/zinc/10/11/83/347101183.db2.gz QWQRESYZYODYRR-UHFFFAOYSA-N 1 2 262.328 3.008 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](CCOCc1ccccc1)C2 ZINC000405083739 346602363 /nfs/dbraw/zinc/60/23/63/346602363.db2.gz IDRLDDHCTYVHOI-UHFFFAOYSA-N 1 2 278.355 3.091 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](CCOCc1ccccc1)C2 ZINC000405083739 346602368 /nfs/dbraw/zinc/60/23/68/346602368.db2.gz IDRLDDHCTYVHOI-UHFFFAOYSA-N 1 2 278.355 3.091 20 30 CGEDLO C#C[C@@H](CC)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000491784940 346629656 /nfs/dbraw/zinc/62/96/56/346629656.db2.gz QHYGAIGHIINZSJ-ZDUSSCGKSA-N 1 2 286.400 3.224 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)CCCCCC#N)c1 ZINC000588299864 346759151 /nfs/dbraw/zinc/75/91/51/346759151.db2.gz NUXHBTOUCRJPHF-UHFFFAOYSA-N 1 2 296.374 3.500 20 30 CGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC1(F)F)CC2 ZINC000589344204 346794300 /nfs/dbraw/zinc/79/43/00/346794300.db2.gz LQFJZRKRPLQMAK-KBPBESRZSA-N 1 2 262.303 3.323 20 30 CGEDLO COc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)ccc1C ZINC000594028712 347140114 /nfs/dbraw/zinc/14/01/14/347140114.db2.gz WJBKFJRLMFVUCF-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)ccc1C ZINC000594028712 347140118 /nfs/dbraw/zinc/14/01/18/347140118.db2.gz WJBKFJRLMFVUCF-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000594710465 347212156 /nfs/dbraw/zinc/21/21/56/347212156.db2.gz LQXUEXPABBPSKZ-UONOGXRCSA-N 1 2 281.783 3.498 20 30 CGEDLO CCc1nc(C[NH2+]CC2(C#N)CCCCC2)cs1 ZINC000594995871 347252022 /nfs/dbraw/zinc/25/20/22/347252022.db2.gz UKJHWJOJXRCLNY-UHFFFAOYSA-N 1 2 263.410 3.269 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000595609567 347326201 /nfs/dbraw/zinc/32/62/01/347326201.db2.gz MILJMOYLSKKEIC-GFCCVEGCSA-N 1 2 271.320 3.060 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000595609567 347326202 /nfs/dbraw/zinc/32/62/02/347326202.db2.gz MILJMOYLSKKEIC-GFCCVEGCSA-N 1 2 271.320 3.060 20 30 CGEDLO CC[N@H+](CCCOc1ccc(C)c(C)c1)[C@H](C)C#N ZINC000595813945 347358450 /nfs/dbraw/zinc/35/84/50/347358450.db2.gz YDOOAOFNCCWRBQ-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1ccc(C)c(C)c1)[C@H](C)C#N ZINC000595813945 347358453 /nfs/dbraw/zinc/35/84/53/347358453.db2.gz YDOOAOFNCCWRBQ-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000595833292 347362588 /nfs/dbraw/zinc/36/25/88/347362588.db2.gz GEGBDVXDZACBFH-INIZCTEOSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000595833292 347362591 /nfs/dbraw/zinc/36/25/91/347362591.db2.gz GEGBDVXDZACBFH-INIZCTEOSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000595834129 347363669 /nfs/dbraw/zinc/36/36/69/347363669.db2.gz GTFIJPIMXMWGOA-CQSZACIVSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000595834129 347363673 /nfs/dbraw/zinc/36/36/73/347363673.db2.gz GTFIJPIMXMWGOA-CQSZACIVSA-N 1 2 266.291 3.024 20 30 CGEDLO N#CCCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845754 347367383 /nfs/dbraw/zinc/36/73/83/347367383.db2.gz QNFKTQPRKJBVQX-ZDUSSCGKSA-N 1 2 279.181 3.500 20 30 CGEDLO N#CCCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000595845754 347367385 /nfs/dbraw/zinc/36/73/85/347367385.db2.gz QNFKTQPRKJBVQX-ZDUSSCGKSA-N 1 2 279.181 3.500 20 30 CGEDLO CCN(CC)c1ccc(CNc2nc(C#N)ccc2C)c[nH+]1 ZINC000596077660 347380480 /nfs/dbraw/zinc/38/04/80/347380480.db2.gz NFJKKQSWDMIETR-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO Cc1[nH+]ccc(NCC2(C#N)CCCCC2)c1Cl ZINC000596498950 347468634 /nfs/dbraw/zinc/46/86/34/347468634.db2.gz HJXVLMUPYSRUOV-UHFFFAOYSA-N 1 2 263.772 3.351 20 30 CGEDLO Cc1cc(N2CC[C@](C)(C#N)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596532285 347475411 /nfs/dbraw/zinc/47/54/11/347475411.db2.gz RKYLRABEUGEXEI-MRXNPFEDSA-N 1 2 296.330 3.191 20 30 CGEDLO N#C[C@H]1CCC[C@H](Nc2c[nH+]cc3c2CCCC3)C1 ZINC000597176046 347544437 /nfs/dbraw/zinc/54/44/37/347544437.db2.gz GODUFJMTBIFFQJ-JSGCOSHPSA-N 1 2 255.365 3.455 20 30 CGEDLO CCCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OC ZINC000597228707 347557478 /nfs/dbraw/zinc/55/74/78/347557478.db2.gz GGDWAYNSEUGUPB-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO CCCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OC ZINC000597228707 347557479 /nfs/dbraw/zinc/55/74/79/347557479.db2.gz GGDWAYNSEUGUPB-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000597232764 347559998 /nfs/dbraw/zinc/55/99/98/347559998.db2.gz WZZOUELXOHDGGD-AWEZNQCLSA-N 1 2 284.281 3.163 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000597232764 347560001 /nfs/dbraw/zinc/56/00/01/347560001.db2.gz WZZOUELXOHDGGD-AWEZNQCLSA-N 1 2 284.281 3.163 20 30 CGEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C2CCCCC2)n1 ZINC000597232971 347560199 /nfs/dbraw/zinc/56/01/99/347560199.db2.gz YPGRDBNCXOEGDT-QGZVFWFLSA-N 1 2 286.423 3.203 20 30 CGEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(C2CCCCC2)n1 ZINC000597232971 347560201 /nfs/dbraw/zinc/56/02/01/347560201.db2.gz YPGRDBNCXOEGDT-QGZVFWFLSA-N 1 2 286.423 3.203 20 30 CGEDLO CCOc1cccc(C[NH+]2CC(CC#N)C2)c1OC(F)F ZINC000597194047 347548491 /nfs/dbraw/zinc/54/84/91/347548491.db2.gz SYXJRBAZACQQRB-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO Cc1cccn2c(NC(=O)CC3(C#N)CCCCC3)c[nH+]c12 ZINC000598262574 347638606 /nfs/dbraw/zinc/63/86/06/347638606.db2.gz DJSFVSIPGRNAKV-UHFFFAOYSA-N 1 2 296.374 3.445 20 30 CGEDLO CC(C)(CCC#N)CNc1nc2ccccc2n2c[nH+]cc12 ZINC000599085254 347715798 /nfs/dbraw/zinc/71/57/98/347715798.db2.gz NRANJMJMFIPEPR-UHFFFAOYSA-N 1 2 293.374 3.046 20 30 CGEDLO Cc1cc(N2CC(C)(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000598634739 347673181 /nfs/dbraw/zinc/67/31/81/347673181.db2.gz CSYUJOBYPPSHOD-UHFFFAOYSA-N 1 2 263.344 3.040 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)CC(F)F ZINC000599279125 347731460 /nfs/dbraw/zinc/73/14/60/347731460.db2.gz KWRHACQDRNJJCU-UHFFFAOYSA-N 1 2 252.308 3.344 20 30 CGEDLO CCC[N@H+](Cc1ccc(C)c(C#N)c1)CC(F)F ZINC000599279125 347731463 /nfs/dbraw/zinc/73/14/63/347731463.db2.gz KWRHACQDRNJJCU-UHFFFAOYSA-N 1 2 252.308 3.344 20 30 CGEDLO Cc1[nH]c(CN(Cc2ccc(C#N)cc2)C2CC2)[nH+]c1C ZINC000600111393 347780566 /nfs/dbraw/zinc/78/05/66/347780566.db2.gz HXHVNWGSXJLKEK-UHFFFAOYSA-N 1 2 280.375 3.063 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]c1C ZINC000600111393 347780569 /nfs/dbraw/zinc/78/05/69/347780569.db2.gz HXHVNWGSXJLKEK-UHFFFAOYSA-N 1 2 280.375 3.063 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]c1C ZINC000600111393 347780571 /nfs/dbraw/zinc/78/05/71/347780571.db2.gz HXHVNWGSXJLKEK-UHFFFAOYSA-N 1 2 280.375 3.063 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000599645541 347761594 /nfs/dbraw/zinc/76/15/94/347761594.db2.gz POEXNJNBEJEGGM-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000599645541 347761598 /nfs/dbraw/zinc/76/15/98/347761598.db2.gz POEXNJNBEJEGGM-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(OC2CC2)c1 ZINC000600161626 347787259 /nfs/dbraw/zinc/78/72/59/347787259.db2.gz KFQKABJKEXGKTH-UHFFFAOYSA-N 1 2 286.375 3.138 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(OC2CC2)c1 ZINC000600161626 347787262 /nfs/dbraw/zinc/78/72/62/347787262.db2.gz KFQKABJKEXGKTH-UHFFFAOYSA-N 1 2 286.375 3.138 20 30 CGEDLO C[C@@H](CCC#N)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000602428468 347956467 /nfs/dbraw/zinc/95/64/67/347956467.db2.gz NZQIQSBOLXGUMW-ZDUSSCGKSA-N 1 2 254.337 3.224 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000602440353 347958262 /nfs/dbraw/zinc/95/82/62/347958262.db2.gz JARRPSJOJWMGOA-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000602440353 347958264 /nfs/dbraw/zinc/95/82/64/347958264.db2.gz JARRPSJOJWMGOA-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO CC[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H](C)C#N ZINC000602448989 347960269 /nfs/dbraw/zinc/96/02/69/347960269.db2.gz XLSPTYXZAMFLMG-NSHDSACASA-N 1 2 289.329 3.495 20 30 CGEDLO CC[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H](C)C#N ZINC000602448989 347960270 /nfs/dbraw/zinc/96/02/70/347960270.db2.gz XLSPTYXZAMFLMG-NSHDSACASA-N 1 2 289.329 3.495 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]C1CCC(C#N)CC1 ZINC000602495489 347969382 /nfs/dbraw/zinc/96/93/82/347969382.db2.gz WANHMBSHIIXDFF-UHFFFAOYSA-N 1 2 299.418 3.326 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)n1 ZINC000602636976 347997551 /nfs/dbraw/zinc/99/75/51/347997551.db2.gz ZWDSLTXUHUOZTB-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3cc(Cl)ccc3C2)n1 ZINC000602636976 347997553 /nfs/dbraw/zinc/99/75/53/347997553.db2.gz ZWDSLTXUHUOZTB-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)CC(C)(C)C#N ZINC000602673032 348005983 /nfs/dbraw/zinc/00/59/83/348005983.db2.gz BLWLGMQTUDREOI-UHFFFAOYSA-N 1 2 289.329 3.495 20 30 CGEDLO C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)CC(C)(C)C#N ZINC000602673032 348005984 /nfs/dbraw/zinc/00/59/84/348005984.db2.gz BLWLGMQTUDREOI-UHFFFAOYSA-N 1 2 289.329 3.495 20 30 CGEDLO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)CC1(CC#N)CC1 ZINC000602793481 348030200 /nfs/dbraw/zinc/03/02/00/348030200.db2.gz BLIPWGGANSWECO-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)CC1(CC#N)CC1 ZINC000602793481 348030206 /nfs/dbraw/zinc/03/02/06/348030206.db2.gz BLIPWGGANSWECO-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000602786816 348029758 /nfs/dbraw/zinc/02/97/58/348029758.db2.gz YBOYSBOIFZZWES-CJNGLKHVSA-N 1 2 288.366 3.281 20 30 CGEDLO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000602786816 348029759 /nfs/dbraw/zinc/02/97/59/348029759.db2.gz YBOYSBOIFZZWES-CJNGLKHVSA-N 1 2 288.366 3.281 20 30 CGEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000602752256 348024190 /nfs/dbraw/zinc/02/41/90/348024190.db2.gz PLHPCJPOEMIBSQ-UHFFFAOYSA-N 1 2 268.282 3.419 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@H](C)C#N ZINC000602772201 348026467 /nfs/dbraw/zinc/02/64/67/348026467.db2.gz QBDNXYCXMDBGQT-GFCCVEGCSA-N 1 2 269.348 3.242 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)C[C@H](C)C#N ZINC000602772201 348026470 /nfs/dbraw/zinc/02/64/70/348026470.db2.gz QBDNXYCXMDBGQT-GFCCVEGCSA-N 1 2 269.348 3.242 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000602863341 348038229 /nfs/dbraw/zinc/03/82/29/348038229.db2.gz ORJQNWQHIFAEKC-CHWSQXEVSA-N 1 2 281.359 3.059 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602982422 348052626 /nfs/dbraw/zinc/05/26/26/348052626.db2.gz SBXIHPWJFBLNNE-GDBMZVCRSA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000602982422 348052628 /nfs/dbraw/zinc/05/26/28/348052628.db2.gz SBXIHPWJFBLNNE-GDBMZVCRSA-N 1 2 257.381 3.131 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000609486756 348345082 /nfs/dbraw/zinc/34/50/82/348345082.db2.gz QHFFVACOGGFCMT-CYBMUJFWSA-N 1 2 297.855 3.067 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000609486312 348345214 /nfs/dbraw/zinc/34/52/14/348345214.db2.gz IDIHFFXUCBWZAQ-INIZCTEOSA-N 1 2 291.826 3.006 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000610395731 348380226 /nfs/dbraw/zinc/38/02/26/348380226.db2.gz WHKPGCFAXUKYBF-MRVPVSSYSA-N 1 2 274.698 3.333 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1cccc(C#N)c1F ZINC000611371365 348441651 /nfs/dbraw/zinc/44/16/51/348441651.db2.gz HIZWOQQTYCBNKR-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1cccc(C#N)c1F ZINC000611371365 348441652 /nfs/dbraw/zinc/44/16/52/348441652.db2.gz HIZWOQQTYCBNKR-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CSc1ccc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163870 348498320 /nfs/dbraw/zinc/49/83/20/348498320.db2.gz ZMZQCSQJRQCNEA-INIZCTEOSA-N 1 2 290.432 3.413 20 30 CGEDLO CSc1ccc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612163870 348498322 /nfs/dbraw/zinc/49/83/22/348498322.db2.gz ZMZQCSQJRQCNEA-INIZCTEOSA-N 1 2 290.432 3.413 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000612163218 348498499 /nfs/dbraw/zinc/49/84/99/348498499.db2.gz UALMIZQGNCPEFV-HNNXBMFYSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000612163218 348498500 /nfs/dbraw/zinc/49/85/00/348498500.db2.gz UALMIZQGNCPEFV-HNNXBMFYSA-N 1 2 280.318 3.414 20 30 CGEDLO CC(C)(C)c1ccc(C#N)c(NCCNc2cccc[nH+]2)n1 ZINC000613411305 348598218 /nfs/dbraw/zinc/59/82/18/348598218.db2.gz NCSAHGYODAGDHA-UHFFFAOYSA-N 1 2 295.390 3.170 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614963961 348704151 /nfs/dbraw/zinc/70/41/51/348704151.db2.gz PFTAXOAAJOLJKL-CJNGLKHVSA-N 1 2 253.349 3.245 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000614963961 348704153 /nfs/dbraw/zinc/70/41/53/348704153.db2.gz PFTAXOAAJOLJKL-CJNGLKHVSA-N 1 2 253.349 3.245 20 30 CGEDLO N#Cc1cccnc1/C=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000352006064 219286133 /nfs/dbraw/zinc/28/61/33/219286133.db2.gz GJYMVIQFHQVMKZ-ONEGZZNKSA-N 1 2 278.340 3.371 20 30 CGEDLO C=CCCO[C@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273964476 192380714 /nfs/dbraw/zinc/38/07/14/192380714.db2.gz PLAFJIZHLNENRP-GFCCVEGCSA-N 1 2 273.336 3.018 20 30 CGEDLO Cc1[nH]c2ccc(COc3ccc(C#N)cc3)cc2[nH+]1 ZINC000358856452 233204597 /nfs/dbraw/zinc/20/45/97/233204597.db2.gz WCKOYPVSFJVVQP-UHFFFAOYSA-N 1 2 263.300 3.322 20 30 CGEDLO Cc1[nH]c2cc(COc3ccc(C#N)cc3)ccc2[nH+]1 ZINC000358856452 233204599 /nfs/dbraw/zinc/20/45/99/233204599.db2.gz WCKOYPVSFJVVQP-UHFFFAOYSA-N 1 2 263.300 3.322 20 30 CGEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)OC ZINC000619704492 349277257 /nfs/dbraw/zinc/27/72/57/349277257.db2.gz NXMMMOYEEIFPKN-JQFCIGGWSA-N 1 2 287.403 3.231 20 30 CGEDLO C=C[C@@H]([NH2+]CC1(c2cccs2)CCCCC1)C(=O)OC ZINC000619702697 349277362 /nfs/dbraw/zinc/27/73/62/349277362.db2.gz QBWYMVOFIIFMKV-CYBMUJFWSA-N 1 2 293.432 3.267 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000619716146 349277680 /nfs/dbraw/zinc/27/76/80/349277680.db2.gz VCXWDXSFKDFCEW-QGZVFWFLSA-N 1 2 298.386 3.075 20 30 CGEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC(C)(C)C#N ZINC000157568705 188325232 /nfs/dbraw/zinc/32/52/32/188325232.db2.gz XKGCLKGGGAMCKR-UHFFFAOYSA-N 1 2 287.407 3.114 20 30 CGEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC(C)(C)C#N ZINC000157568705 188325234 /nfs/dbraw/zinc/32/52/34/188325234.db2.gz XKGCLKGGGAMCKR-UHFFFAOYSA-N 1 2 287.407 3.114 20 30 CGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(C#N)cc1)CCC2 ZINC000336425745 213286179 /nfs/dbraw/zinc/28/61/79/213286179.db2.gz JXSLVNFSMOMAFQ-CQSZACIVSA-N 1 2 266.348 3.053 20 30 CGEDLO N#Cc1cccc(NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000105859442 138353041 /nfs/dbraw/zinc/35/30/41/138353041.db2.gz PJGQGVHIAQYPMI-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO Cn1c(C[N@H+](C)Cc2ccc(C#N)s2)nc2ccccc21 ZINC000125416111 138382010 /nfs/dbraw/zinc/38/20/10/138382010.db2.gz DYOGIMHVFWEMAV-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cn1c(C[N@@H+](C)Cc2ccc(C#N)s2)nc2ccccc21 ZINC000125416111 138382012 /nfs/dbraw/zinc/38/20/12/138382012.db2.gz DYOGIMHVFWEMAV-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000177040949 189023317 /nfs/dbraw/zinc/02/33/17/189023317.db2.gz PULQIRGTGZHYFO-OAHLLOKOSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000177040949 189023318 /nfs/dbraw/zinc/02/33/18/189023318.db2.gz PULQIRGTGZHYFO-OAHLLOKOSA-N 1 2 266.348 3.009 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000177319099 189043601 /nfs/dbraw/zinc/04/36/01/189043601.db2.gz XWEJSHZUPXSPGV-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000177319099 189043602 /nfs/dbraw/zinc/04/36/02/189043602.db2.gz XWEJSHZUPXSPGV-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000451817124 240365824 /nfs/dbraw/zinc/36/58/24/240365824.db2.gz QRCJPUBMRLGEIL-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOCC12CCCCC2 ZINC000451817124 240365827 /nfs/dbraw/zinc/36/58/27/240365827.db2.gz QRCJPUBMRLGEIL-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000301629076 201104127 /nfs/dbraw/zinc/10/41/27/201104127.db2.gz IAFITMIJJZBLHH-OAHLLOKOSA-N 1 2 299.761 3.264 20 30 CGEDLO Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)cc(C#N)n1 ZINC000342410239 216343814 /nfs/dbraw/zinc/34/38/14/216343814.db2.gz FCKOAAYQUHEWSG-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451648536 240341793 /nfs/dbraw/zinc/34/17/93/240341793.db2.gz LIDMGJLYPKJXHP-OAHLLOKOSA-N 1 2 276.380 3.025 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451648536 240341796 /nfs/dbraw/zinc/34/17/96/240341796.db2.gz LIDMGJLYPKJXHP-OAHLLOKOSA-N 1 2 276.380 3.025 20 30 CGEDLO C=CC[N@@H+](C)Cc1c(F)cccc1Br ZINC000121544520 370871417 /nfs/dbraw/zinc/87/14/17/370871417.db2.gz XZTTXIIBINKWRH-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO C=CC[N@H+](C)Cc1c(F)cccc1Br ZINC000121544520 370871419 /nfs/dbraw/zinc/87/14/19/370871419.db2.gz XZTTXIIBINKWRH-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000121549821 370872729 /nfs/dbraw/zinc/87/27/29/370872729.db2.gz DTHGZZWKHZIQBX-NSHDSACASA-N 1 2 275.327 3.363 20 30 CGEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000121549821 370872733 /nfs/dbraw/zinc/87/27/33/370872733.db2.gz DTHGZZWKHZIQBX-NSHDSACASA-N 1 2 275.327 3.363 20 30 CGEDLO Cc1ccccc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000007219452 368570681 /nfs/dbraw/zinc/57/06/81/368570681.db2.gz WASDAHJDWKHPPG-UHFFFAOYSA-N 1 2 291.398 3.189 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(-c2ccsc2)n1 ZINC000127190551 370950078 /nfs/dbraw/zinc/95/00/78/370950078.db2.gz SZMDPRMDZBMBMZ-UHFFFAOYSA-N 1 2 263.366 3.196 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(-c2ccsc2)n1 ZINC000127190551 370950082 /nfs/dbraw/zinc/95/00/82/370950082.db2.gz SZMDPRMDZBMBMZ-UHFFFAOYSA-N 1 2 263.366 3.196 20 30 CGEDLO CC1(C)CCC[N@H+](CCCc2ccncc2)[C@@H]1C#N ZINC000444731934 261139183 /nfs/dbraw/zinc/13/91/83/261139183.db2.gz PGQPYVRUZGQNSF-OAHLLOKOSA-N 1 2 257.381 3.028 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCc2ccncc2)[C@@H]1C#N ZINC000444731934 261139185 /nfs/dbraw/zinc/13/91/85/261139185.db2.gz PGQPYVRUZGQNSF-OAHLLOKOSA-N 1 2 257.381 3.028 20 30 CGEDLO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072802827 369839002 /nfs/dbraw/zinc/83/90/02/369839002.db2.gz VSWSDRRCHKBCFE-HNNXBMFYSA-N 1 2 291.420 3.070 20 30 CGEDLO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072802827 369839009 /nfs/dbraw/zinc/83/90/09/369839009.db2.gz VSWSDRRCHKBCFE-HNNXBMFYSA-N 1 2 291.420 3.070 20 30 CGEDLO C=CC[N@H+](Cc1ncc(C)o1)Cc1ccc(OC)cc1 ZINC000075643608 369916013 /nfs/dbraw/zinc/91/60/13/369916013.db2.gz AUWBVTDNIBYESI-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(C)o1)Cc1ccc(OC)cc1 ZINC000075643608 369916019 /nfs/dbraw/zinc/91/60/19/369916019.db2.gz AUWBVTDNIBYESI-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO N#Cc1csc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000084084050 370010719 /nfs/dbraw/zinc/01/07/19/370010719.db2.gz BIXONCAWUZXQBW-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ccc(F)c(C#N)c1 ZINC000090209025 370059479 /nfs/dbraw/zinc/05/94/79/370059479.db2.gz HJEXWFHIWLAECG-UHFFFAOYSA-N 1 2 258.300 3.087 20 30 CGEDLO CC[N@@H+](Cc1cnc(C(C)(C)C)s1)C[C@@H](C)C#N ZINC000091983755 370085864 /nfs/dbraw/zinc/08/58/64/370085864.db2.gz DKUCYVZKHIHKSO-NSHDSACASA-N 1 2 265.426 3.422 20 30 CGEDLO CC[N@H+](Cc1cnc(C(C)(C)C)s1)C[C@@H](C)C#N ZINC000091983755 370085870 /nfs/dbraw/zinc/08/58/70/370085870.db2.gz DKUCYVZKHIHKSO-NSHDSACASA-N 1 2 265.426 3.422 20 30 CGEDLO CCc1nn(C)c(CC)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101317 370109604 /nfs/dbraw/zinc/10/96/04/370109604.db2.gz VVTOCZCRNXEBFP-UHFFFAOYSA-N 1 2 290.455 3.307 20 30 CGEDLO CCc1nn(C)c(CC)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101317 370109610 /nfs/dbraw/zinc/10/96/10/370109610.db2.gz VVTOCZCRNXEBFP-UHFFFAOYSA-N 1 2 290.455 3.307 20 30 CGEDLO C=CCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000102337760 370302723 /nfs/dbraw/zinc/30/27/23/370302723.db2.gz VNUTWFXLSFGKHS-UHFFFAOYSA-N 1 2 279.409 3.034 20 30 CGEDLO C=CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309865 370396260 /nfs/dbraw/zinc/39/62/60/370396260.db2.gz UZWRZYHTMYOWIM-SMDDNHRTSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309865 370396263 /nfs/dbraw/zinc/39/62/63/370396263.db2.gz UZWRZYHTMYOWIM-SMDDNHRTSA-N 1 2 251.757 3.288 20 30 CGEDLO C[C@H]1SCC[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1C ZINC000118413429 370615069 /nfs/dbraw/zinc/61/50/69/370615069.db2.gz HCSZQXQNGWQZJY-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@H]1SCC[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]1C ZINC000118413429 370615072 /nfs/dbraw/zinc/61/50/72/370615072.db2.gz HCSZQXQNGWQZJY-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1CCC[N@H+](CC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425510800 372129266 /nfs/dbraw/zinc/12/92/66/372129266.db2.gz KRLKUYBBVUVVJS-ZIAGYGMSSA-N 1 2 292.423 3.122 20 30 CGEDLO C[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425510800 372129272 /nfs/dbraw/zinc/12/92/72/372129272.db2.gz KRLKUYBBVUVVJS-ZIAGYGMSSA-N 1 2 292.423 3.122 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1C#N)CC2 ZINC000428468621 372213756 /nfs/dbraw/zinc/21/37/56/372213756.db2.gz PAXMYMDVKOIOOG-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1C#N)CC2 ZINC000428468621 372213762 /nfs/dbraw/zinc/21/37/62/372213762.db2.gz PAXMYMDVKOIOOG-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160878856 372285547 /nfs/dbraw/zinc/28/55/47/372285547.db2.gz GNFRXQNIVTVRSN-HNNXBMFYSA-N 1 2 278.396 3.271 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000160878856 372285552 /nfs/dbraw/zinc/28/55/52/372285552.db2.gz GNFRXQNIVTVRSN-HNNXBMFYSA-N 1 2 278.396 3.271 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000293586423 372418402 /nfs/dbraw/zinc/41/84/02/372418402.db2.gz YUYDINQDOKQEFR-MRXNPFEDSA-N 1 2 295.390 3.088 20 30 CGEDLO CC#CCCCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294170096 372602355 /nfs/dbraw/zinc/60/23/55/372602355.db2.gz NEJFQJUYGDELIF-KRWDZBQOSA-N 1 2 295.386 3.151 20 30 CGEDLO C=CCCCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296080301 373017532 /nfs/dbraw/zinc/01/75/32/373017532.db2.gz KEEAJDYHCLVVNP-UHFFFAOYSA-N 1 2 258.321 3.143 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nc2ccccc2n1C(F)F ZINC000444658301 373225307 /nfs/dbraw/zinc/22/53/07/373225307.db2.gz AUOKCGFCNIWIRZ-SNVBAGLBSA-N 1 2 290.317 3.386 20 30 CGEDLO C=CCCCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000175188813 373427207 /nfs/dbraw/zinc/42/72/07/373427207.db2.gz BVUTVCNOQSZXPT-UHFFFAOYSA-N 1 2 285.391 3.207 20 30 CGEDLO CCOC(=O)[C@H](C)C/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000175899841 373535024 /nfs/dbraw/zinc/53/50/24/373535024.db2.gz JAZSVIOSXNGLOA-MBNTZHJCSA-N 1 2 285.343 3.164 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1nccc(C#N)n1 ZINC000450213956 374000377 /nfs/dbraw/zinc/00/03/77/374000377.db2.gz ISQPWKKOORASCY-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C=CCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000449960915 373978725 /nfs/dbraw/zinc/97/87/25/373978725.db2.gz SAEKZRGPYHIIKV-HNNXBMFYSA-N 1 2 289.423 3.162 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000180868828 374054338 /nfs/dbraw/zinc/05/43/38/374054338.db2.gz JMWFROYRHZNVBS-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180868828 374054348 /nfs/dbraw/zinc/05/43/48/374054348.db2.gz JMWFROYRHZNVBS-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO CCc1ccc2[nH+]ccc(NCC(C)(C)C#N)c2c1 ZINC000450440270 374131839 /nfs/dbraw/zinc/13/18/39/374131839.db2.gz YNJZXFUQPOVMRN-UHFFFAOYSA-N 1 2 253.349 3.181 20 30 CGEDLO Cc1cc(C[NH2+]C[C@H](C)C#N)c(OC(F)F)cc1C ZINC000183831977 374464174 /nfs/dbraw/zinc/46/41/74/374464174.db2.gz LNFIPRATDSQPDT-SECBINFHSA-N 1 2 268.307 3.154 20 30 CGEDLO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](C)C#N ZINC000183828339 374462029 /nfs/dbraw/zinc/46/20/29/374462029.db2.gz MXTXPSYUPNPHQV-MRVPVSSYSA-N 1 2 273.163 3.251 20 30 CGEDLO C[C@@H]([NH2+]CCCC#N)c1nc(C2CCCCC2)no1 ZINC000185241266 374618871 /nfs/dbraw/zinc/61/88/71/374618871.db2.gz NNUODJBELBULOM-LLVKDONJSA-N 1 2 262.357 3.072 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000334178538 374654324 /nfs/dbraw/zinc/65/43/24/374654324.db2.gz DDSMYAZJAGTPJZ-CYBMUJFWSA-N 1 2 279.181 3.004 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000334178538 374654326 /nfs/dbraw/zinc/65/43/26/374654326.db2.gz DDSMYAZJAGTPJZ-CYBMUJFWSA-N 1 2 279.181 3.004 20 30 CGEDLO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186711765 374903189 /nfs/dbraw/zinc/90/31/89/374903189.db2.gz JPSROJGNVFCLMF-BDAKNGLRSA-N 1 2 290.190 3.287 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379445 375267945 /nfs/dbraw/zinc/26/79/45/375267945.db2.gz JCIXFWZCMNAPSU-MWLCHTKSSA-N 1 2 266.797 3.452 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000335379445 375267949 /nfs/dbraw/zinc/26/79/49/375267949.db2.gz JCIXFWZCMNAPSU-MWLCHTKSSA-N 1 2 266.797 3.452 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000491703093 375340729 /nfs/dbraw/zinc/34/07/29/375340729.db2.gz HQKMKVZATUEQKI-NSHDSACASA-N 1 2 289.379 3.360 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000491703093 375340738 /nfs/dbraw/zinc/34/07/38/375340738.db2.gz HQKMKVZATUEQKI-NSHDSACASA-N 1 2 289.379 3.360 20 30 CGEDLO Cc1cc(C)c(NC(=O)Cc2c(F)cccc2C#N)c(C)[nH+]1 ZINC000335838648 375471782 /nfs/dbraw/zinc/47/17/82/375471782.db2.gz ITHHYYAUPNGPNW-UHFFFAOYSA-N 1 2 297.333 3.199 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc2ccccc2n1C(F)F ZINC000191085347 375573442 /nfs/dbraw/zinc/57/34/42/375573442.db2.gz JOUCUSKEBMCLAR-UHFFFAOYSA-N 1 2 295.333 3.066 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc2ccccc2n1C(F)F ZINC000191085347 375573450 /nfs/dbraw/zinc/57/34/50/375573450.db2.gz JOUCUSKEBMCLAR-UHFFFAOYSA-N 1 2 295.333 3.066 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2cccs2)oc1C ZINC000191143640 375583572 /nfs/dbraw/zinc/58/35/72/375583572.db2.gz MQGLGXHDNBMWHG-UHFFFAOYSA-N 1 2 292.404 3.346 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2cccs2)oc1C ZINC000191143640 375583577 /nfs/dbraw/zinc/58/35/77/375583577.db2.gz MQGLGXHDNBMWHG-UHFFFAOYSA-N 1 2 292.404 3.346 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C/C(=O)c2ccco2)c[nH+]1 ZINC000191323568 375608882 /nfs/dbraw/zinc/60/88/82/375608882.db2.gz BSNWWNKFFZXIOP-SOFGYWHQSA-N 1 2 270.332 3.415 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)ccc(O)c1F ZINC000507190984 375684538 /nfs/dbraw/zinc/68/45/38/375684538.db2.gz MOQXHEJRORCEKH-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)ccc(O)c1F ZINC000507190984 375684545 /nfs/dbraw/zinc/68/45/45/375684545.db2.gz MOQXHEJRORCEKH-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000509435124 375780799 /nfs/dbraw/zinc/78/07/99/375780799.db2.gz GWZWBLHRSYLLIX-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000509435124 375780804 /nfs/dbraw/zinc/78/08/04/375780804.db2.gz GWZWBLHRSYLLIX-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO C=CCCC[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000515591864 375814187 /nfs/dbraw/zinc/81/41/87/375814187.db2.gz IWRUJXYKIKRCIF-JTQLQIEISA-N 1 2 251.399 3.288 20 30 CGEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000519444166 375838800 /nfs/dbraw/zinc/83/88/00/375838800.db2.gz OXQMJVQHHRBGFD-GOSISDBHSA-N 1 2 286.419 3.152 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CCOc1ccc(F)cc1Cl)C1CC1 ZINC000538783025 376271173 /nfs/dbraw/zinc/27/11/73/376271173.db2.gz UJCFZKATXRHGCJ-NSHDSACASA-N 1 2 296.773 3.482 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CCOc1ccc(F)cc1Cl)C1CC1 ZINC000538783025 376271175 /nfs/dbraw/zinc/27/11/75/376271175.db2.gz UJCFZKATXRHGCJ-NSHDSACASA-N 1 2 296.773 3.482 20 30 CGEDLO N#Cc1cccc(C[N@H+](Cc2cccnc2)C2CC2)c1F ZINC000340960407 377338662 /nfs/dbraw/zinc/33/86/62/377338662.db2.gz DUIWZCFUEZZXMT-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1F ZINC000340960407 377338674 /nfs/dbraw/zinc/33/86/74/377338674.db2.gz DUIWZCFUEZZXMT-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO CC(C)(C)[C@H]([NH2+]CCCSCC#N)C(F)(F)F ZINC000566638304 377498242 /nfs/dbraw/zinc/49/82/42/377498242.db2.gz UNUNOUIIXPMDOJ-VIFPVBQESA-N 1 2 268.348 3.200 20 30 CGEDLO CCCOc1ccc(C[NH2+]CCC#N)c(OC(F)F)c1 ZINC000570921146 377539366 /nfs/dbraw/zinc/53/93/66/377539366.db2.gz OKIFEEADODAZKB-UHFFFAOYSA-N 1 2 284.306 3.080 20 30 CGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000514880136 249192974 /nfs/dbraw/zinc/19/29/74/249192974.db2.gz HWIDUDURRLCUHE-QGZVFWFLSA-N 1 2 288.354 3.493 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(-c2ccccc2)n1 ZINC000342692025 377736484 /nfs/dbraw/zinc/73/64/84/377736484.db2.gz OVLUBJQLSXOFRH-UHFFFAOYSA-N 1 2 253.349 3.046 20 30 CGEDLO CCN(CCC#N)Cc1ccccc1C[N@H+](CC)CCC#N ZINC000343741145 378080129 /nfs/dbraw/zinc/08/01/29/378080129.db2.gz NEWFOAMAAUMWHJ-UHFFFAOYSA-N 1 2 298.434 3.158 20 30 CGEDLO CCN(CCC#N)Cc1ccccc1C[N@@H+](CC)CCC#N ZINC000343741145 378080133 /nfs/dbraw/zinc/08/01/33/378080133.db2.gz NEWFOAMAAUMWHJ-UHFFFAOYSA-N 1 2 298.434 3.158 20 30 CGEDLO N#CC1(CC[N@@H+]2CCC[C@H]2c2ncon2)CCCCC1 ZINC000580406073 378247546 /nfs/dbraw/zinc/24/75/46/378247546.db2.gz PSLVSVSWHAQABR-ZDUSSCGKSA-N 1 2 274.368 3.071 20 30 CGEDLO N#CC1(CC[N@H+]2CCC[C@H]2c2ncon2)CCCCC1 ZINC000580406073 378247551 /nfs/dbraw/zinc/24/75/51/378247551.db2.gz PSLVSVSWHAQABR-ZDUSSCGKSA-N 1 2 274.368 3.071 20 30 CGEDLO C[C@@]12C[N@@H+]([C@@H](C#N)c3ccccc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508795 378401936 /nfs/dbraw/zinc/40/19/36/378401936.db2.gz BUGRQTSJZSGOEK-WKULXVSPSA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@@]12C[N@H+]([C@@H](C#N)c3ccccc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508795 378401941 /nfs/dbraw/zinc/40/19/41/378401941.db2.gz BUGRQTSJZSGOEK-WKULXVSPSA-N 1 2 264.372 3.395 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]c2ccccc2cc1C ZINC000584091505 378374997 /nfs/dbraw/zinc/37/49/97/378374997.db2.gz YDQRGMNPSDVULR-NVXWUHKLSA-N 1 2 282.387 3.358 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271117984 378456553 /nfs/dbraw/zinc/45/65/53/378456553.db2.gz GBOYSLWWXTVVLE-LBPRGKRZSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271117984 378456559 /nfs/dbraw/zinc/45/65/59/378456559.db2.gz GBOYSLWWXTVVLE-LBPRGKRZSA-N 1 2 299.330 3.446 20 30 CGEDLO COCC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccco1 ZINC000272497961 378651336 /nfs/dbraw/zinc/65/13/36/378651336.db2.gz GFGVURNYVAWCTR-OAHLLOKOSA-N 1 2 270.332 3.019 20 30 CGEDLO C=CC[C@H](C(=O)NCc1c[nH+]ccc1OC)c1ccccc1 ZINC000348316425 378904101 /nfs/dbraw/zinc/90/41/01/378904101.db2.gz IINYGVVMFQLDAO-INIZCTEOSA-N 1 2 296.370 3.066 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000370656012 379045545 /nfs/dbraw/zinc/04/55/45/379045545.db2.gz JSPRFWPTNHQCPM-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000370656012 379045554 /nfs/dbraw/zinc/04/55/54/379045554.db2.gz JSPRFWPTNHQCPM-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000373526392 379293703 /nfs/dbraw/zinc/29/37/03/379293703.db2.gz JPENBELXLXCSAT-HNNXBMFYSA-N 1 2 294.345 3.278 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000373526392 379293710 /nfs/dbraw/zinc/29/37/10/379293710.db2.gz JPENBELXLXCSAT-HNNXBMFYSA-N 1 2 294.345 3.278 20 30 CGEDLO C=CC[C@H]1CC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC1CCCC1 ZINC000639424697 379376224 /nfs/dbraw/zinc/37/62/24/379376224.db2.gz PHGBEDOTNJWWMJ-KBXCAEBGSA-N 1 2 290.451 3.460 20 30 CGEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccon1 ZINC000349843708 379419615 /nfs/dbraw/zinc/41/96/15/379419615.db2.gz XUMFDKYTAOYUAL-NXEZZACHSA-N 1 2 259.284 3.097 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2Cl)n1 ZINC000279651517 379481702 /nfs/dbraw/zinc/48/17/02/379481702.db2.gz BLOTXKFEJMSLIW-UHFFFAOYSA-N 1 2 287.794 3.192 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2Cl)n1 ZINC000279651517 379481708 /nfs/dbraw/zinc/48/17/08/379481708.db2.gz BLOTXKFEJMSLIW-UHFFFAOYSA-N 1 2 287.794 3.192 20 30 CGEDLO N#CCCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000375278770 379490051 /nfs/dbraw/zinc/49/00/51/379490051.db2.gz DCPJRCBWMYGNKW-AWEZNQCLSA-N 1 2 268.282 3.139 20 30 CGEDLO N#CCCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000375278770 379490057 /nfs/dbraw/zinc/49/00/57/379490057.db2.gz DCPJRCBWMYGNKW-AWEZNQCLSA-N 1 2 268.282 3.139 20 30 CGEDLO C#CC[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000375842327 379511811 /nfs/dbraw/zinc/51/18/11/379511811.db2.gz VMCBPGKBJIVLHT-CVEARBPZSA-N 1 2 265.360 3.141 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926085 379646878 /nfs/dbraw/zinc/64/68/78/379646878.db2.gz UAJOUSYIAAYMDB-MRXNPFEDSA-N 1 2 290.407 3.087 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639926085 379646888 /nfs/dbraw/zinc/64/68/88/379646888.db2.gz UAJOUSYIAAYMDB-MRXNPFEDSA-N 1 2 290.407 3.087 20 30 CGEDLO C=CCC(F)(F)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351241111 379689996 /nfs/dbraw/zinc/68/99/96/379689996.db2.gz YBEKRYYLGBHOFX-UHFFFAOYSA-N 1 2 265.263 3.032 20 30 CGEDLO COc1cc(Cl)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352448990 379820537 /nfs/dbraw/zinc/82/05/37/379820537.db2.gz KFHMINZZDIVDEX-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1c(F)cncc1F ZINC000353114924 380121894 /nfs/dbraw/zinc/12/18/94/380121894.db2.gz CXLNOBJMTRMMAF-QMMMGPOBSA-N 1 2 279.315 3.144 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NCCCC ZINC000411180283 380133153 /nfs/dbraw/zinc/13/31/53/380133153.db2.gz DEYYGWZRRIMOBN-AWEZNQCLSA-N 1 2 292.398 3.119 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NCCCC ZINC000411180283 380133164 /nfs/dbraw/zinc/13/31/64/380133164.db2.gz DEYYGWZRRIMOBN-AWEZNQCLSA-N 1 2 292.398 3.119 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1nnc(CC)o1 ZINC000411194891 380134424 /nfs/dbraw/zinc/13/44/24/380134424.db2.gz RFTQQYJUKASCAO-ZDUSSCGKSA-N 1 2 296.374 3.253 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1nnc(CC)o1 ZINC000411194891 380134426 /nfs/dbraw/zinc/13/44/26/380134426.db2.gz RFTQQYJUKASCAO-ZDUSSCGKSA-N 1 2 296.374 3.253 20 30 CGEDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccccc1C#N ZINC000268296968 190393479 /nfs/dbraw/zinc/39/34/79/190393479.db2.gz VZSCQWVSGAZNDJ-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccccc1C#N ZINC000268296968 190393480 /nfs/dbraw/zinc/39/34/80/190393480.db2.gz VZSCQWVSGAZNDJ-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354025676 380286505 /nfs/dbraw/zinc/28/65/05/380286505.db2.gz HTAIWOTXIBNYKL-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1OC ZINC000354025676 380286511 /nfs/dbraw/zinc/28/65/11/380286511.db2.gz HTAIWOTXIBNYKL-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO C=CC[C@@H](C)NC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000354432898 380435318 /nfs/dbraw/zinc/43/53/18/380435318.db2.gz PQRFGAWCBGQKPY-CQSZACIVSA-N 1 2 299.418 3.460 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)s1 ZINC000354730994 380542086 /nfs/dbraw/zinc/54/20/86/380542086.db2.gz LFCXZJDRLNZAOX-ZDUSSCGKSA-N 1 2 276.405 3.011 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)s1 ZINC000354730994 380542090 /nfs/dbraw/zinc/54/20/90/380542090.db2.gz LFCXZJDRLNZAOX-ZDUSSCGKSA-N 1 2 276.405 3.011 20 30 CGEDLO CCC(CC)CN(CCC#N)Cc1c[nH+]cn1CC ZINC000417762934 380674161 /nfs/dbraw/zinc/67/41/61/380674161.db2.gz JMYDQHHBQRGMKM-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO C=CCC1(c2nc(Cc3ccc[nH+]c3C)no2)CCC1 ZINC000420511353 380854098 /nfs/dbraw/zinc/85/40/98/380854098.db2.gz NSZJZEFHHKSDKJ-UHFFFAOYSA-N 1 2 269.348 3.362 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361600559 381828897 /nfs/dbraw/zinc/82/88/97/381828897.db2.gz GRHGZHHZLIZFMP-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000361600559 381828902 /nfs/dbraw/zinc/82/89/02/381828902.db2.gz GRHGZHHZLIZFMP-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366072714 382302256 /nfs/dbraw/zinc/30/22/56/382302256.db2.gz KZIOBBLDWAWHDP-ZBFHGGJFSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)(C)CC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366072714 382302260 /nfs/dbraw/zinc/30/22/60/382302260.db2.gz KZIOBBLDWAWHDP-ZBFHGGJFSA-N 1 2 264.413 3.350 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000369020611 382384812 /nfs/dbraw/zinc/38/48/12/382384812.db2.gz ZKHQOWKXKWWBRG-HUUCEWRRSA-N 1 2 270.380 3.229 20 30 CGEDLO COc1ccc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1F ZINC000425237747 533100055 /nfs/dbraw/zinc/10/00/55/533100055.db2.gz SYZANDIYCLFTJE-LLVKDONJSA-N 1 2 285.322 3.004 20 30 CGEDLO Cc1cn2cc(NC(=O)N[C@H]3CCCC[C@@H]3C)ccc2[nH+]1 ZINC000328857288 542445224 /nfs/dbraw/zinc/44/52/24/542445224.db2.gz XTNVEUIJNSTYCX-FZMZJTMJSA-N 1 2 286.379 3.357 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000289197757 392416458 /nfs/dbraw/zinc/41/64/58/392416458.db2.gz BFDCFTCUQHCTPX-AWEZNQCLSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000289197757 392416466 /nfs/dbraw/zinc/41/64/66/392416466.db2.gz BFDCFTCUQHCTPX-AWEZNQCLSA-N 1 2 297.345 3.107 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/C[C@H]1CCOC1 ZINC000122267920 392421361 /nfs/dbraw/zinc/42/13/61/392421361.db2.gz VRMHZNMTABZUTQ-YXHQGMJNSA-N 1 2 255.317 3.001 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@]2(C)CCCS2)c1 ZINC000121019147 392407013 /nfs/dbraw/zinc/40/70/13/392407013.db2.gz HFMGQLGLYSMEBU-UWZYDCLUSA-N 1 2 265.378 3.105 20 30 CGEDLO Cc1cccc2nc(C[NH2+]Cc3cc(C#N)cs3)[nH]c21 ZINC000153624439 392522041 /nfs/dbraw/zinc/52/20/41/392522041.db2.gz SRPUOZULOZAZDN-UHFFFAOYSA-N 1 2 282.372 3.094 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000173784543 392629300 /nfs/dbraw/zinc/62/93/00/392629300.db2.gz QLSMEFGCYBDPNP-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000173784543 392629302 /nfs/dbraw/zinc/62/93/02/392629302.db2.gz QLSMEFGCYBDPNP-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2[nH+]1 ZINC000505220649 392651159 /nfs/dbraw/zinc/65/11/59/392651159.db2.gz SVPCDESENBLVRL-UHFFFAOYSA-N 1 2 294.289 3.134 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3ccc(F)c(C#N)c3)ccc2[nH+]1 ZINC000505220649 392651162 /nfs/dbraw/zinc/65/11/62/392651162.db2.gz SVPCDESENBLVRL-UHFFFAOYSA-N 1 2 294.289 3.134 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1F ZINC000334541066 392735953 /nfs/dbraw/zinc/73/59/53/392735953.db2.gz QQFAQSRXHUZZOE-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1F ZINC000334541066 392735960 /nfs/dbraw/zinc/73/59/60/392735960.db2.gz QQFAQSRXHUZZOE-UHFFFAOYSA-N 1 2 284.256 3.392 20 30 CGEDLO CCN(CCC#N)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338163406 392900457 /nfs/dbraw/zinc/90/04/57/392900457.db2.gz GVRQVJUUVFHINI-UHFFFAOYSA-N 1 2 295.342 3.250 20 30 CGEDLO CCOc1ccccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338360338 392912806 /nfs/dbraw/zinc/91/28/06/392912806.db2.gz PKEKKERCHWGGLR-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO CCOc1ccccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338360338 392912809 /nfs/dbraw/zinc/91/28/09/392912809.db2.gz PKEKKERCHWGGLR-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO C[C@@H](C#N)CN(Cc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000338380618 392914390 /nfs/dbraw/zinc/91/43/90/392914390.db2.gz LQSOYZPNVIJALL-HNNXBMFYSA-N 1 2 294.402 3.055 20 30 CGEDLO C[C@H](C#N)CN(Cc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000338380619 392914626 /nfs/dbraw/zinc/91/46/26/392914626.db2.gz LQSOYZPNVIJALL-OAHLLOKOSA-N 1 2 294.402 3.055 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000514604397 392857011 /nfs/dbraw/zinc/85/70/11/392857011.db2.gz FEBQNYICFMHYDG-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000514604397 392857020 /nfs/dbraw/zinc/85/70/20/392857020.db2.gz FEBQNYICFMHYDG-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ccc(-c2ncco2)cc1F ZINC000411619473 392981845 /nfs/dbraw/zinc/98/18/45/392981845.db2.gz CDHIYMOAOQIPJG-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ccc(-c2ncco2)cc1F ZINC000411619473 392981854 /nfs/dbraw/zinc/98/18/54/392981854.db2.gz CDHIYMOAOQIPJG-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC#N ZINC000411613324 392982745 /nfs/dbraw/zinc/98/27/45/392982745.db2.gz CCLHNYAVLFZJAX-SECBINFHSA-N 1 2 283.169 3.022 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348710895 393128962 /nfs/dbraw/zinc/12/89/62/393128962.db2.gz FCIOCQBONTVEPG-UHFFFAOYSA-N 1 2 298.365 3.008 20 30 CGEDLO N#Cc1cnccc1/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000349112732 393137828 /nfs/dbraw/zinc/13/78/28/393137828.db2.gz POCAIWKXXRBNQJ-UPHRSURJSA-N 1 2 278.340 3.371 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccon1 ZINC000349233581 393141062 /nfs/dbraw/zinc/14/10/62/393141062.db2.gz DDNBDOYZTKSVGQ-LLVKDONJSA-N 1 2 294.276 3.396 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccon1 ZINC000349240528 393141410 /nfs/dbraw/zinc/14/14/10/393141410.db2.gz MMVWEOBTFJIFEJ-LLVKDONJSA-N 1 2 260.724 3.030 20 30 CGEDLO CC#CCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000349656020 393151505 /nfs/dbraw/zinc/15/15/05/393151505.db2.gz MTWAXHBGALWVHA-UHFFFAOYSA-N 1 2 295.342 3.409 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000646147192 393230996 /nfs/dbraw/zinc/23/09/96/393230996.db2.gz VVIXRKJLQMUMOE-ZDUSSCGKSA-N 1 2 269.747 3.429 20 30 CGEDLO C=CCC[N@H+]1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000646147192 393231001 /nfs/dbraw/zinc/23/10/01/393231001.db2.gz VVIXRKJLQMUMOE-ZDUSSCGKSA-N 1 2 269.747 3.429 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccon1 ZINC000356427016 393441026 /nfs/dbraw/zinc/44/10/26/393441026.db2.gz KTJXNJSOKXLRFK-VIFPVBQESA-N 1 2 295.264 3.416 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000427012305 393452581 /nfs/dbraw/zinc/45/25/81/393452581.db2.gz OLAQEJCWEYUKLC-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000427012305 393452590 /nfs/dbraw/zinc/45/25/90/393452590.db2.gz OLAQEJCWEYUKLC-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO N#Cc1cccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000450534294 394012371 /nfs/dbraw/zinc/01/23/71/394012371.db2.gz DODNRBMVUCQINJ-HDJSIYSDSA-N 1 2 293.374 3.183 20 30 CGEDLO CC1(C)CCC[N@H+](C[C@H]2CCC(F)(F)C2)[C@H]1C#N ZINC000450857313 394037356 /nfs/dbraw/zinc/03/73/56/394037356.db2.gz JLDHBBHFPFGUNK-RYUDHWBXSA-N 1 2 256.340 3.436 20 30 CGEDLO CC1(C)CCC[N@@H+](C[C@H]2CCC(F)(F)C2)[C@H]1C#N ZINC000450857313 394037359 /nfs/dbraw/zinc/03/73/59/394037359.db2.gz JLDHBBHFPFGUNK-RYUDHWBXSA-N 1 2 256.340 3.436 20 30 CGEDLO C=CC[N@@H+](Cc1ccnn1CCC)Cc1ccc(OC)cc1 ZINC000667535061 542886294 /nfs/dbraw/zinc/88/62/94/542886294.db2.gz XCPWNHDADOMCMU-UHFFFAOYSA-N 1 2 299.418 3.490 20 30 CGEDLO C=CC[N@H+](Cc1ccnn1CCC)Cc1ccc(OC)cc1 ZINC000667535061 542886297 /nfs/dbraw/zinc/88/62/97/542886297.db2.gz XCPWNHDADOMCMU-UHFFFAOYSA-N 1 2 299.418 3.490 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000677477583 543450320 /nfs/dbraw/zinc/45/03/20/543450320.db2.gz MZFGJINLHMRMAL-CYBMUJFWSA-N 1 2 290.432 3.081 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000677477583 543450323 /nfs/dbraw/zinc/45/03/23/543450323.db2.gz MZFGJINLHMRMAL-CYBMUJFWSA-N 1 2 290.432 3.081 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nc(CC)no1)c1ccccc1 ZINC000678785566 543558491 /nfs/dbraw/zinc/55/84/91/543558491.db2.gz KSTHYKKLXJEXCB-CQSZACIVSA-N 1 2 271.364 3.429 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2sccc2C1 ZINC000130385754 286270807 /nfs/dbraw/zinc/27/08/07/286270807.db2.gz YUCLHYRCYMHUPC-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2sccc2C1 ZINC000130385754 286270808 /nfs/dbraw/zinc/27/08/08/286270808.db2.gz YUCLHYRCYMHUPC-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO N#Cc1ccc(OCCn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000071838782 165069891 /nfs/dbraw/zinc/06/98/91/165069891.db2.gz WBKCPXPWJWDJOM-UHFFFAOYSA-N 1 2 299.280 3.265 20 30 CGEDLO Cc1[nH+]c2ccccn2c1COc1ccc(C#N)cc1F ZINC000127579613 287291047 /nfs/dbraw/zinc/29/10/47/287291047.db2.gz DVDVYLQLSFAJEZ-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC=CCC1 ZINC000679323651 543618160 /nfs/dbraw/zinc/61/81/60/543618160.db2.gz GPMJMJXCONMPMG-UHFFFAOYSA-N 1 2 288.416 3.165 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000679323651 543618162 /nfs/dbraw/zinc/61/81/62/543618162.db2.gz GPMJMJXCONMPMG-UHFFFAOYSA-N 1 2 288.416 3.165 20 30 CGEDLO CCC#C[C@@H](C)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000680900578 543745085 /nfs/dbraw/zinc/74/50/85/543745085.db2.gz TWGWSTYQIKWRFK-HUUCEWRRSA-N 1 2 276.449 3.229 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000680424915 543710015 /nfs/dbraw/zinc/71/00/15/543710015.db2.gz IDHJZYNHKOIROP-STQMWFEESA-N 1 2 299.374 3.198 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000682900505 543877206 /nfs/dbraw/zinc/87/72/06/543877206.db2.gz USPQZPFOCNHQLY-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO C=CCC(C)(C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664986973 419035463 /nfs/dbraw/zinc/03/54/63/419035463.db2.gz XNOZILXAZITLTD-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CC[N@@H+](Cc1cc(OC)ns1)Cc1ccccc1 ZINC000659821753 419000537 /nfs/dbraw/zinc/00/05/37/419000537.db2.gz FOJHVOFBCWORBA-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@H+](Cc1cc(OC)ns1)Cc1ccccc1 ZINC000659821753 419000541 /nfs/dbraw/zinc/00/05/41/419000541.db2.gz FOJHVOFBCWORBA-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCN(Cc1cn(C)c[nH+]1)Cc1ccc(Cl)s1 ZINC000659818182 419000975 /nfs/dbraw/zinc/00/09/75/419000975.db2.gz VJGSFRDEQVEXPG-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@@H](C)COC ZINC000661247264 419244212 /nfs/dbraw/zinc/24/42/12/419244212.db2.gz MQMPRFDYJCUYJF-LBPRGKRZSA-N 1 2 282.453 3.464 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@@H](C)COC ZINC000661247264 419244215 /nfs/dbraw/zinc/24/42/15/419244215.db2.gz MQMPRFDYJCUYJF-LBPRGKRZSA-N 1 2 282.453 3.464 20 30 CGEDLO C=CC[N@@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)C(C)(C)C ZINC000661756603 419295309 /nfs/dbraw/zinc/29/53/09/419295309.db2.gz SLWMKDXNTSVWST-UHFFFAOYSA-N 1 2 290.407 3.303 20 30 CGEDLO C=CC[N@H+](CC(=O)c1[nH]c(C)c(C(C)=O)c1C)C(C)(C)C ZINC000661756603 419295310 /nfs/dbraw/zinc/29/53/10/419295310.db2.gz SLWMKDXNTSVWST-UHFFFAOYSA-N 1 2 290.407 3.303 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000330053812 228027390 /nfs/dbraw/zinc/02/73/90/228027390.db2.gz QZLNYRLAZSDACH-MAUKXSAKSA-N 1 2 295.386 3.469 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2cccs2)on1 ZINC000331402428 228098168 /nfs/dbraw/zinc/09/81/68/228098168.db2.gz NCCBTZSKLNBZLD-PWSUYJOCSA-N 1 2 273.361 3.185 20 30 CGEDLO Cc1ccc(Cc2noc(-c3ccc(CC#N)cc3)n2)c[nH+]1 ZINC000356134134 228134747 /nfs/dbraw/zinc/13/47/47/228134747.db2.gz KLMLJFBCMUGVDF-UHFFFAOYSA-N 1 2 290.326 3.097 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1nnc(C)o1 ZINC000297716041 260132827 /nfs/dbraw/zinc/13/28/27/260132827.db2.gz BECBBLDZXAEQJU-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1nnc(C)o1 ZINC000297716041 260132829 /nfs/dbraw/zinc/13/28/29/260132829.db2.gz BECBBLDZXAEQJU-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO CC[C@](C)([NH2+]CCCC1(C#N)CCOCC1)C(F)(F)F ZINC000525709632 261055441 /nfs/dbraw/zinc/05/54/41/261055441.db2.gz VYVLLJVOQQHZFU-LBPRGKRZSA-N 1 2 292.345 3.408 20 30 CGEDLO NC(COc1ccccc1)=[NH+]OCCCCC(F)(F)F ZINC000154179333 261088553 /nfs/dbraw/zinc/08/85/53/261088553.db2.gz KTPSBXQMBYEKRJ-UHFFFAOYSA-N 1 2 290.285 3.087 20 30 CGEDLO C=CCCOCC/[NH+]=C/c1ccc(OCCC)cc1O ZINC000154799905 261095147 /nfs/dbraw/zinc/09/51/47/261095147.db2.gz SCFMCYWAJNIUQA-GHRIWEEISA-N 1 2 277.364 3.193 20 30 CGEDLO N#CC[N@H+](CCCOc1cccc(C#N)c1)C1CCCC1 ZINC000156476079 261123676 /nfs/dbraw/zinc/12/36/76/261123676.db2.gz UNEUWVVTZAOLIT-UHFFFAOYSA-N 1 2 283.375 3.095 20 30 CGEDLO N#CC[N@@H+](CCCOc1cccc(C#N)c1)C1CCCC1 ZINC000156476079 261123677 /nfs/dbraw/zinc/12/36/77/261123677.db2.gz UNEUWVVTZAOLIT-UHFFFAOYSA-N 1 2 283.375 3.095 20 30 CGEDLO C[N@@H+](CC#N)CCCCOc1ccccc1C(F)(F)F ZINC000104959447 261304247 /nfs/dbraw/zinc/30/42/47/261304247.db2.gz KBTNJYWTZLUYME-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO C[N@H+](CC#N)CCCCOc1ccccc1C(F)(F)F ZINC000104959447 261304249 /nfs/dbraw/zinc/30/42/49/261304249.db2.gz KBTNJYWTZLUYME-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)cc1 ZINC000491276257 261396812 /nfs/dbraw/zinc/39/68/12/261396812.db2.gz IGGNJBLOTWGVFJ-OAHLLOKOSA-N 1 2 283.302 3.019 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000491725904 261940235 /nfs/dbraw/zinc/94/02/35/261940235.db2.gz CCIKIYXMIUZHIS-HNNXBMFYSA-N 1 2 256.736 3.199 20 30 CGEDLO CC(C)(C)c1[nH]c2ccc(NC(=O)C3(C#N)CCC3)cc2[nH+]1 ZINC000265466073 262908437 /nfs/dbraw/zinc/90/84/37/262908437.db2.gz VQZRZSMXUAWNRF-UHFFFAOYSA-N 1 2 296.374 3.493 20 30 CGEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272497563 263005468 /nfs/dbraw/zinc/00/54/68/263005468.db2.gz DCNKYZLWCYBFAC-UHFFFAOYSA-N 1 2 299.418 3.122 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@H]2CCO[C@@H](C)C2)c1O ZINC000273351742 263015800 /nfs/dbraw/zinc/01/58/00/263015800.db2.gz QGXVYJGSDBHMBF-VYBPFTPOSA-N 1 2 277.364 3.025 20 30 CGEDLO N#CCCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000276721613 263037917 /nfs/dbraw/zinc/03/79/17/263037917.db2.gz FMALRWPSZBWXDD-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO N#CCCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000276721613 263037918 /nfs/dbraw/zinc/03/79/18/263037918.db2.gz FMALRWPSZBWXDD-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO N#C[C@@H]1CC[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000278524231 263048634 /nfs/dbraw/zinc/04/86/34/263048634.db2.gz CYLSYGMBRZCZBG-LVLPYEQSSA-N 1 2 295.430 3.010 20 30 CGEDLO Cc1cc(C[N@H+](CC#N)C2CCCC2)cc(C)c1O ZINC000283845867 263084603 /nfs/dbraw/zinc/08/46/03/263084603.db2.gz DFIVTGLWPSJXNP-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO Cc1cc(C[N@@H+](CC#N)C2CCCC2)cc(C)c1O ZINC000283845867 263084604 /nfs/dbraw/zinc/08/46/04/263084604.db2.gz DFIVTGLWPSJXNP-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(SC)cc1 ZINC000292085134 263128136 /nfs/dbraw/zinc/12/81/36/263128136.db2.gz DXAGHVXAWWSCCK-UHFFFAOYSA-N 1 2 276.405 3.189 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccc(SC)cc1 ZINC000292085134 263128137 /nfs/dbraw/zinc/12/81/37/263128137.db2.gz DXAGHVXAWWSCCK-UHFFFAOYSA-N 1 2 276.405 3.189 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(COCC)c1 ZINC000292835758 263135619 /nfs/dbraw/zinc/13/56/19/263135619.db2.gz RRWLSDUQZCAEEZ-UHFFFAOYSA-N 1 2 288.391 3.133 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(COCC)c1 ZINC000292835758 263135620 /nfs/dbraw/zinc/13/56/20/263135620.db2.gz RRWLSDUQZCAEEZ-UHFFFAOYSA-N 1 2 288.391 3.133 20 30 CGEDLO N#CCCOCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000292928964 263136477 /nfs/dbraw/zinc/13/64/77/263136477.db2.gz YUOJCTUTGAVSCQ-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO N#CCCOCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000292928964 263136478 /nfs/dbraw/zinc/13/64/78/263136478.db2.gz YUOJCTUTGAVSCQ-UHFFFAOYSA-N 1 2 299.201 3.282 20 30 CGEDLO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)C[C@H](C)C#N ZINC000297632849 263207201 /nfs/dbraw/zinc/20/72/01/263207201.db2.gz HYJZOERTPCEZEA-SNVBAGLBSA-N 1 2 288.420 3.173 20 30 CGEDLO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C[C@H](C)C#N ZINC000297632849 263207202 /nfs/dbraw/zinc/20/72/02/263207202.db2.gz HYJZOERTPCEZEA-SNVBAGLBSA-N 1 2 288.420 3.173 20 30 CGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000298275611 263216897 /nfs/dbraw/zinc/21/68/97/263216897.db2.gz ACYDXMBFGDCORQ-RYUDHWBXSA-N 1 2 293.317 3.382 20 30 CGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000298275609 263216923 /nfs/dbraw/zinc/21/69/23/263216923.db2.gz ACYDXMBFGDCORQ-NWDGAFQWSA-N 1 2 293.317 3.382 20 30 CGEDLO N#CCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000299517898 263244795 /nfs/dbraw/zinc/24/47/95/263244795.db2.gz CSKCJDAFIXFQIN-LLVKDONJSA-N 1 2 260.234 3.322 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Cl)cc2c1OCC2)CC1CC1 ZINC000341333196 263332009 /nfs/dbraw/zinc/33/20/09/263332009.db2.gz YLHFOLNWNCJCGX-UHFFFAOYSA-N 1 2 290.794 3.401 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Cl)cc2c1OCC2)CC1CC1 ZINC000341333196 263332010 /nfs/dbraw/zinc/33/20/10/263332010.db2.gz YLHFOLNWNCJCGX-UHFFFAOYSA-N 1 2 290.794 3.401 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C(C)C ZINC000330973446 264100900 /nfs/dbraw/zinc/10/09/00/264100900.db2.gz IDHTUNKZJDUSHL-CQSZACIVSA-N 1 2 292.427 3.074 20 30 CGEDLO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@H](CCC)C1 ZINC000127470712 264255459 /nfs/dbraw/zinc/25/54/59/264255459.db2.gz JKHINRJNGHLTSV-CYBMUJFWSA-N 1 2 277.239 3.278 20 30 CGEDLO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@H](CCC)C1 ZINC000127470712 264255463 /nfs/dbraw/zinc/25/54/63/264255463.db2.gz JKHINRJNGHLTSV-CYBMUJFWSA-N 1 2 277.239 3.278 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000428094272 264365746 /nfs/dbraw/zinc/36/57/46/264365746.db2.gz GPNVSAIHNVJFKR-BXUZGUMPSA-N 1 2 281.783 3.498 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428083085 264369195 /nfs/dbraw/zinc/36/91/95/264369195.db2.gz BMRBWVFNYJNUBH-WOSRLPQWSA-N 1 2 291.391 3.100 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000180045042 264394526 /nfs/dbraw/zinc/39/45/26/264394526.db2.gz UVAWRENMBOINTN-AWEZNQCLSA-N 1 2 257.337 3.175 20 30 CGEDLO C=CCOCC(=O)Nc1c2ccccc2[nH+]c(C)c1C(C)C ZINC000362502960 266996774 /nfs/dbraw/zinc/99/67/74/266996774.db2.gz QDHRDZDDXONPMT-UHFFFAOYSA-N 1 2 298.386 3.230 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000368148441 267148795 /nfs/dbraw/zinc/14/87/95/267148795.db2.gz ODRGSOJIMMFTQX-NSHDSACASA-N 1 2 269.797 3.188 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000368148441 267148797 /nfs/dbraw/zinc/14/87/97/267148797.db2.gz ODRGSOJIMMFTQX-NSHDSACASA-N 1 2 269.797 3.188 20 30 CGEDLO Cc1cc(N[C@@H]2CCCc3ccccc32)c(C#N)c[nH+]1 ZINC000399373381 267301678 /nfs/dbraw/zinc/30/16/78/267301678.db2.gz ANUPZEPNHIJDRU-MRXNPFEDSA-N 1 2 263.344 3.173 20 30 CGEDLO C#CCCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000370444834 267319760 /nfs/dbraw/zinc/31/97/60/267319760.db2.gz OTLHIWHPEOZQFG-UHFFFAOYSA-N 1 2 267.332 3.127 20 30 CGEDLO Cc1cc(C)cc(C[N@H+](C)Cc2nc(C#N)cs2)c1 ZINC000356417700 267320988 /nfs/dbraw/zinc/32/09/88/267320988.db2.gz GEIIJRCGLMNNIR-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1cc(C)cc(C[N@@H+](C)Cc2nc(C#N)cs2)c1 ZINC000356417700 267320991 /nfs/dbraw/zinc/32/09/91/267320991.db2.gz GEIIJRCGLMNNIR-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO CC(C)(C)Oc1cccc(C[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352479088 277220492 /nfs/dbraw/zinc/22/04/92/277220492.db2.gz AIYQRMCFXKERBK-UHFFFAOYSA-N 1 2 291.370 3.087 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)[C@H](C)O1 ZINC000439434637 288212111 /nfs/dbraw/zinc/21/21/11/288212111.db2.gz CCAVEPHXLNZQJN-WOPDTQHZSA-N 1 2 278.783 3.209 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)[C@H](C)O1 ZINC000439434637 288212115 /nfs/dbraw/zinc/21/21/15/288212115.db2.gz CCAVEPHXLNZQJN-WOPDTQHZSA-N 1 2 278.783 3.209 20 30 CGEDLO N#CC1(C[NH+]2CCC(c3c(F)cccc3F)CC2)CC1 ZINC000336273060 303142043 /nfs/dbraw/zinc/14/20/43/303142043.db2.gz DZDPZCGCLJTRTN-UHFFFAOYSA-N 1 2 276.330 3.448 20 30 CGEDLO N#C[C@@H]1[N@H+](CC2CCCC2)CCC[C@]12CCCCO2 ZINC000336551074 303164308 /nfs/dbraw/zinc/16/43/08/303164308.db2.gz HVOQUWFYVGIZIF-JKSUJKDBSA-N 1 2 262.397 3.104 20 30 CGEDLO N#C[C@@H]1[N@@H+](CC2CCCC2)CCC[C@]12CCCCO2 ZINC000336551074 303164310 /nfs/dbraw/zinc/16/43/10/303164310.db2.gz HVOQUWFYVGIZIF-JKSUJKDBSA-N 1 2 262.397 3.104 20 30 CGEDLO C#C[C@H](NCc1[nH+]ccn1CC)c1ccc(Cl)cc1 ZINC000491628643 327789742 /nfs/dbraw/zinc/78/97/42/327789742.db2.gz KXGQLUISUMYDRL-AWEZNQCLSA-N 1 2 273.767 3.021 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000337502529 327955852 /nfs/dbraw/zinc/95/58/52/327955852.db2.gz DYDIGOGHLWOSRD-OAHLLOKOSA-N 1 2 295.386 3.203 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000571102378 328086642 /nfs/dbraw/zinc/08/66/42/328086642.db2.gz KSDQXJMDQBDBAK-AWEZNQCLSA-N 1 2 289.423 3.183 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000571102378 328086643 /nfs/dbraw/zinc/08/66/43/328086643.db2.gz KSDQXJMDQBDBAK-AWEZNQCLSA-N 1 2 289.423 3.183 20 30 CGEDLO NC(=[NH+]OCc1ncc(C2CC2)o1)c1cccc(Cl)c1 ZINC000270450830 328193338 /nfs/dbraw/zinc/19/33/38/328193338.db2.gz NERJLYMUQWXOSB-UHFFFAOYSA-N 1 2 291.738 3.043 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)c1ccc(Cl)cc1 ZINC000292229435 328268974 /nfs/dbraw/zinc/26/89/74/328268974.db2.gz PLOBSKFCGYVXLY-HNNXBMFYSA-N 1 2 278.783 3.429 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@H](OC)c1ccc(Cl)cc1 ZINC000292229435 328268975 /nfs/dbraw/zinc/26/89/75/328268975.db2.gz PLOBSKFCGYVXLY-HNNXBMFYSA-N 1 2 278.783 3.429 20 30 CGEDLO Cc1[nH+]c2cc(OC(=O)C3(C#N)CCCCC3)ccc2n1C ZINC000297845531 328294701 /nfs/dbraw/zinc/29/47/01/328294701.db2.gz RQZHIJAUIFQNIW-UHFFFAOYSA-N 1 2 297.358 3.261 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000569541425 327195287 /nfs/dbraw/zinc/19/52/87/327195287.db2.gz SFKQHOBZVWALGB-KBPBESRZSA-N 1 2 270.380 3.176 20 30 CGEDLO N#C[C@@H]1CC[C@@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000573548919 327195775 /nfs/dbraw/zinc/19/57/75/327195775.db2.gz UNVBASFEVDBJCI-VXGBXAGGSA-N 1 2 270.311 3.116 20 30 CGEDLO CCO[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C12CCC2 ZINC000125187037 327390785 /nfs/dbraw/zinc/39/07/85/327390785.db2.gz OFDCLTCEOLEPFB-NIRMRBTQSA-N 1 2 259.349 3.159 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1Br ZINC000294173034 327464784 /nfs/dbraw/zinc/46/47/84/327464784.db2.gz CQNRWBJPLPMRAP-JTQLQIEISA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377613000 329020264 /nfs/dbraw/zinc/02/02/64/329020264.db2.gz CQMQRRHFXXADGG-DLBZAZTESA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377613000 329020265 /nfs/dbraw/zinc/02/02/65/329020265.db2.gz CQMQRRHFXXADGG-DLBZAZTESA-N 1 2 294.402 3.000 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000181270313 329228914 /nfs/dbraw/zinc/22/89/14/329228914.db2.gz KNTBTYDRNQHAED-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000181270313 329228915 /nfs/dbraw/zinc/22/89/15/329228915.db2.gz KNTBTYDRNQHAED-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(F)c(F)c1 ZINC000187375623 329356881 /nfs/dbraw/zinc/35/68/81/329356881.db2.gz PRSDUCLPKLZLAW-CQSZACIVSA-N 1 2 263.291 3.095 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ccon1)c1ccc(F)c(F)c1 ZINC000187783430 329360712 /nfs/dbraw/zinc/36/07/12/329360712.db2.gz LTWDSWVAKXEXOQ-AWEZNQCLSA-N 1 2 264.275 3.360 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2c(OC)cccc12 ZINC000425265758 329651146 /nfs/dbraw/zinc/65/11/46/329651146.db2.gz WXRUQCASOOKYIK-WFASDCNBSA-N 1 2 284.359 3.246 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000298168627 330143173 /nfs/dbraw/zinc/14/31/73/330143173.db2.gz MOUJBBPIDOBGBE-JTQLQIEISA-N 1 2 256.271 3.297 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000298168627 330143174 /nfs/dbraw/zinc/14/31/74/330143174.db2.gz MOUJBBPIDOBGBE-JTQLQIEISA-N 1 2 256.271 3.297 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)s2)nn1 ZINC000424119646 330247521 /nfs/dbraw/zinc/24/75/21/330247521.db2.gz CXRNYBDIPNOISX-SECBINFHSA-N 1 2 282.800 3.030 20 30 CGEDLO C=C[C@H](CC(=O)Nc1cc[nH+]cc1O)c1ccccc1 ZINC000089487279 330385553 /nfs/dbraw/zinc/38/55/53/330385553.db2.gz AGPWJMTVYGCYRN-GFCCVEGCSA-N 1 2 268.316 3.086 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000424624595 330429337 /nfs/dbraw/zinc/42/93/37/330429337.db2.gz JEODDOJTKJWYJY-UHFFFAOYSA-N 1 2 290.407 3.268 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]ccc(C)c1Br ZINC000450811102 331000608 /nfs/dbraw/zinc/00/06/08/331000608.db2.gz ZEYBUWJEIJCJCI-MNOVXSKESA-N 1 2 297.196 3.298 20 30 CGEDLO C=CCN(CC=C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455492382 331170862 /nfs/dbraw/zinc/17/08/62/331170862.db2.gz ZRHHWVMUXAWWMC-UHFFFAOYSA-N 1 2 259.353 3.213 20 30 CGEDLO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)cc(Cl)c1O ZINC000459594926 331289931 /nfs/dbraw/zinc/28/99/31/331289931.db2.gz SEPKKQABLAGDAJ-UHFFFAOYSA-N 1 2 296.798 3.426 20 30 CGEDLO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(Cl)c1O ZINC000459594926 331289932 /nfs/dbraw/zinc/28/99/32/331289932.db2.gz SEPKKQABLAGDAJ-UHFFFAOYSA-N 1 2 296.798 3.426 20 30 CGEDLO C=C(C[NH2+][C@H](CCCC)C(=O)OC)c1ccccc1 ZINC000488380469 332003083 /nfs/dbraw/zinc/00/30/83/332003083.db2.gz BWEFVZVKAPEBIR-OAHLLOKOSA-N 1 2 261.365 3.021 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cncc(Br)c1 ZINC000489459412 332054010 /nfs/dbraw/zinc/05/40/10/332054010.db2.gz FXCCFQNWPBQLDG-ZDUSSCGKSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cncc(Br)c1 ZINC000489459412 332054011 /nfs/dbraw/zinc/05/40/11/332054011.db2.gz FXCCFQNWPBQLDG-ZDUSSCGKSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc([C@H](C)OC)n1 ZINC000489512028 332057672 /nfs/dbraw/zinc/05/76/72/332057672.db2.gz NSYFSLIYMQTGPI-AAEUAGOBSA-N 1 2 266.410 3.391 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc([C@H](C)OC)n1 ZINC000489512028 332057673 /nfs/dbraw/zinc/05/76/73/332057673.db2.gz NSYFSLIYMQTGPI-AAEUAGOBSA-N 1 2 266.410 3.391 20 30 CGEDLO C=CCN(CC=C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000490641187 332099217 /nfs/dbraw/zinc/09/92/17/332099217.db2.gz ZFQCPIHOEBQJOE-YFHOEESVSA-N 1 2 293.370 3.086 20 30 CGEDLO C#C[C@H]([NH2+]Cc1sccc1OC)c1ccc(F)cc1 ZINC000491349338 332194562 /nfs/dbraw/zinc/19/45/62/332194562.db2.gz HZMZIYZPJGUNCR-ZDUSSCGKSA-N 1 2 275.348 3.360 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000491642720 332261691 /nfs/dbraw/zinc/26/16/91/332261691.db2.gz BTMIBDQYEPDEBV-AWEZNQCLSA-N 1 2 272.392 3.010 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000491642720 332261692 /nfs/dbraw/zinc/26/16/92/332261692.db2.gz BTMIBDQYEPDEBV-AWEZNQCLSA-N 1 2 272.392 3.010 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)cc1 ZINC000491673927 332280065 /nfs/dbraw/zinc/28/00/65/332280065.db2.gz WQPKHSSOFBGNBG-HNNXBMFYSA-N 1 2 285.318 3.004 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(CSC)s1)C1CCCC1 ZINC000491688396 332286201 /nfs/dbraw/zinc/28/62/01/332286201.db2.gz BCIYBQSOPYIECE-UHFFFAOYSA-N 1 2 280.462 3.384 20 30 CGEDLO C#CC[N@H+](Cc1ncc(CSC)s1)C1CCCC1 ZINC000491688396 332286202 /nfs/dbraw/zinc/28/62/02/332286202.db2.gz BCIYBQSOPYIECE-UHFFFAOYSA-N 1 2 280.462 3.384 20 30 CGEDLO C=CCCCN(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491865564 332372669 /nfs/dbraw/zinc/37/26/69/332372669.db2.gz HQCXWZSJXIEPSJ-FLIBITNWSA-N 1 2 295.386 3.310 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccco2)s1)C[C@@H](C)C#N ZINC000194345999 333269662 /nfs/dbraw/zinc/26/96/62/333269662.db2.gz LSRHHGIAFYAXCF-NSHDSACASA-N 1 2 275.377 3.385 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccco2)s1)C[C@@H](C)C#N ZINC000194345999 333269663 /nfs/dbraw/zinc/26/96/63/333269663.db2.gz LSRHHGIAFYAXCF-NSHDSACASA-N 1 2 275.377 3.385 20 30 CGEDLO C=CCOCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549693552 334201948 /nfs/dbraw/zinc/20/19/48/334201948.db2.gz PDULWFYMCRDPIJ-HNNXBMFYSA-N 1 2 283.774 3.413 20 30 CGEDLO C=CCOCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000549693552 334201950 /nfs/dbraw/zinc/20/19/50/334201950.db2.gz PDULWFYMCRDPIJ-HNNXBMFYSA-N 1 2 283.774 3.413 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000552326472 334317423 /nfs/dbraw/zinc/31/74/23/334317423.db2.gz SGSFTYQLXBREHG-SNVBAGLBSA-N 1 2 261.394 3.145 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000552326472 334317425 /nfs/dbraw/zinc/31/74/25/334317425.db2.gz SGSFTYQLXBREHG-SNVBAGLBSA-N 1 2 261.394 3.145 20 30 CGEDLO CSCc1cnc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000577210218 335323118 /nfs/dbraw/zinc/32/31/18/335323118.db2.gz UDNKIKCZRJLFSQ-UHFFFAOYSA-N 1 2 281.450 3.132 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351239109 335586047 /nfs/dbraw/zinc/58/60/47/335586047.db2.gz URLQWNKQGYHAJM-LLVKDONJSA-N 1 2 257.337 3.434 20 30 CGEDLO COc1cc(Cl)c(C[NH2+]C[C@H](C)C#N)cc1Cl ZINC000183826688 335908523 /nfs/dbraw/zinc/90/85/23/335908523.db2.gz HTUSUJXYUQMOCG-MRVPVSSYSA-N 1 2 273.163 3.251 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1nccs1 ZINC000185086719 335945854 /nfs/dbraw/zinc/94/58/54/335945854.db2.gz JFJIIIYJRCGGGS-ZDUSSCGKSA-N 1 2 275.352 3.395 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1SC ZINC000580723416 335960190 /nfs/dbraw/zinc/96/01/90/335960190.db2.gz ZEEOQHSLWOKLLT-VXGBXAGGSA-N 1 2 291.420 3.017 20 30 CGEDLO C[C@H](c1cccc(Br)c1)[N@H+](C)CCC#N ZINC000194972283 336041454 /nfs/dbraw/zinc/04/14/54/336041454.db2.gz AVZOWGUWIPUDPP-SNVBAGLBSA-N 1 2 267.170 3.356 20 30 CGEDLO C[C@H](c1cccc(Br)c1)[N@@H+](C)CCC#N ZINC000194972283 336041455 /nfs/dbraw/zinc/04/14/55/336041455.db2.gz AVZOWGUWIPUDPP-SNVBAGLBSA-N 1 2 267.170 3.356 20 30 CGEDLO C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000381068985 336048682 /nfs/dbraw/zinc/04/86/82/336048682.db2.gz UHBYNOIEGOIHNK-TVQRCGJNSA-N 1 2 256.284 3.012 20 30 CGEDLO Cc1cc(NC[C@@H]2CCCC[C@H]2C(F)(F)F)c(C#N)c[nH+]1 ZINC000425231013 534033721 /nfs/dbraw/zinc/03/37/21/534033721.db2.gz MLQNQTJLEJNZMC-WCQYABFASA-N 1 2 297.324 3.464 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000425367534 534082487 /nfs/dbraw/zinc/08/24/87/534082487.db2.gz UABXAAHGQZVYOJ-ZDUSSCGKSA-N 1 2 297.406 3.098 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000425367534 534082493 /nfs/dbraw/zinc/08/24/93/534082493.db2.gz UABXAAHGQZVYOJ-ZDUSSCGKSA-N 1 2 297.406 3.098 20 30 CGEDLO Cc1ccc(-c2cc(C[NH2+][C@H]3CCC[C@H]3C#N)on2)cc1 ZINC000332127485 534183783 /nfs/dbraw/zinc/18/37/83/534183783.db2.gz BGNZOZIRQWSRRB-HOCLYGCPSA-N 1 2 281.359 3.432 20 30 CGEDLO C=CC[N@@H+](Cc1ccnc(C)n1)Cc1ccccc1F ZINC000350662307 526379263 /nfs/dbraw/zinc/37/92/63/526379263.db2.gz UBLCFYZNFOUPPS-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@H+](Cc1ccnc(C)n1)Cc1ccccc1F ZINC000350662307 526379269 /nfs/dbraw/zinc/37/92/69/526379269.db2.gz UBLCFYZNFOUPPS-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=C(CC)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000347448360 526854448 /nfs/dbraw/zinc/85/44/48/526854448.db2.gz CTZVPORPUDYIJP-ZDUSSCGKSA-N 1 2 274.412 3.279 20 30 CGEDLO C=C(CC)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000347448360 526854449 /nfs/dbraw/zinc/85/44/49/526854449.db2.gz CTZVPORPUDYIJP-ZDUSSCGKSA-N 1 2 274.412 3.279 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000334762697 526906838 /nfs/dbraw/zinc/90/68/38/526906838.db2.gz DRRXBHQFKCGFAI-UHFFFAOYSA-N 1 2 291.301 3.167 20 30 CGEDLO C=C[C@@H](CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000347947124 527420014 /nfs/dbraw/zinc/42/00/14/527420014.db2.gz ZMDVIRSETZGWCH-HOCLYGCPSA-N 1 2 295.386 3.433 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C\c1cccc(O)c1O ZINC000727653660 571760768 /nfs/dbraw/zinc/76/07/68/571760768.db2.gz VGDRHHCYWWPHOB-PDGQHHTCSA-N 1 2 285.343 3.158 20 30 CGEDLO CCN(CC)c1ncc(C=[NH+]Nc2ccc(C)cn2)s1 ZINC000727263100 571737107 /nfs/dbraw/zinc/73/71/07/571737107.db2.gz NBDHNDAXBWCUIE-UHFFFAOYSA-N 1 2 289.408 3.139 20 30 CGEDLO C#Cc1cccc(N(C)Cc2cn3c(cccc3C)[nH+]2)c1 ZINC000728574187 571811897 /nfs/dbraw/zinc/81/18/97/571811897.db2.gz BZKBTNQGHPJWLB-UHFFFAOYSA-N 1 2 275.355 3.260 20 30 CGEDLO Oc1cccc(/C=[NH+]\C[C@@H]2CCc3ccccc32)c1O ZINC000731938009 572439289 /nfs/dbraw/zinc/43/92/89/572439289.db2.gz QPNVVRKFJSTHGJ-FHNWIRHTSA-N 1 2 267.328 3.247 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1O ZINC000741843805 572534076 /nfs/dbraw/zinc/53/40/76/572534076.db2.gz MHMODHXIADPUSK-PZEKQYFXSA-N 1 2 259.349 3.486 20 30 CGEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1ccc(N)cc1 ZINC000733750240 572602240 /nfs/dbraw/zinc/60/22/40/572602240.db2.gz QTAPALDXCYJGQF-UHFFFAOYSA-N 1 2 277.331 3.048 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\[C@@H]2CC[C@H](SC)C2)c1 ZINC000743043553 572635642 /nfs/dbraw/zinc/63/56/42/572635642.db2.gz WPMQONQJAZLRJD-UZQLYTGQSA-N 1 2 279.405 3.494 20 30 CGEDLO CCC(CC)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000734366187 572650027 /nfs/dbraw/zinc/65/00/27/572650027.db2.gz HYHRYJWHKLFTQX-UHFFFAOYSA-N 1 2 259.397 3.027 20 30 CGEDLO CCC(CC)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000734366187 572650030 /nfs/dbraw/zinc/65/00/30/572650030.db2.gz HYHRYJWHKLFTQX-UHFFFAOYSA-N 1 2 259.397 3.027 20 30 CGEDLO C#CCOc1ccccc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000734834019 572688975 /nfs/dbraw/zinc/68/89/75/572688975.db2.gz XUUYATABOWNELL-UHFFFAOYSA-N 1 2 293.370 3.287 20 30 CGEDLO C[C@@H](CCc1cccn1C)/[NH+]=C\c1ccccc1O ZINC000741845930 572722992 /nfs/dbraw/zinc/72/29/92/572722992.db2.gz ZNLFHNOZNTWUOY-IGWPVBGESA-N 1 2 256.349 3.171 20 30 CGEDLO CC(=NOCc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000746587567 572883694 /nfs/dbraw/zinc/88/36/94/572883694.db2.gz OVOZAMDCTAHRGF-UHFFFAOYSA-N 1 2 292.342 3.208 20 30 CGEDLO CC[C@H](C/[NH+]=C\c1c(O)c(C)ncc1CO)c1ccccc1 ZINC000747712902 572942994 /nfs/dbraw/zinc/94/29/94/572942994.db2.gz KRYUGVVMCWFZTL-AXLWCPOOSA-N 1 2 298.386 3.201 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc2cc(O)ccc2c1 ZINC000749001535 572988007 /nfs/dbraw/zinc/98/80/07/572988007.db2.gz HIFFPHLLYRFMIW-AATRIKPKSA-N 1 2 264.284 3.165 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H](C)Cc2ccncc2)c(O)c1 ZINC000749844586 573046341 /nfs/dbraw/zinc/04/63/41/573046341.db2.gz KVFFGBAHUHOFQC-HCZVKUGISA-N 1 2 284.359 3.236 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H](C)c2ccncc2)c(O)c1 ZINC000749846582 573047347 /nfs/dbraw/zinc/04/73/47/573047347.db2.gz YOJAFDALLCKXFA-CQLSMYGBSA-N 1 2 284.359 3.409 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946249 613380875 /nfs/dbraw/zinc/38/08/75/613380875.db2.gz MPTYXUJRGTXBFB-OLZOCXBDSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946249 613380876 /nfs/dbraw/zinc/38/08/76/613380876.db2.gz MPTYXUJRGTXBFB-OLZOCXBDSA-N 1 2 298.858 3.002 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CCCc1nc2ccccc2[nH]1 ZINC000255063794 617895292 /nfs/dbraw/zinc/89/52/92/617895292.db2.gz QCJCTDIWJKRBIY-PDGQHHTCSA-N 1 2 279.343 3.320 20 30 CGEDLO C#CCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCCCC1 ZINC000788232645 617984038 /nfs/dbraw/zinc/98/40/38/617984038.db2.gz OEWHWMYNOCOGTN-UHFFFAOYSA-N 1 2 270.376 3.033 20 30 CGEDLO COC[C@H](C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255294637 618163377 /nfs/dbraw/zinc/16/33/77/618163377.db2.gz VPYFHNRMFGPAET-HJPCULJESA-N 1 2 257.333 3.247 20 30 CGEDLO CC(C)Cc1ccc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000891695994 618249041 /nfs/dbraw/zinc/24/90/41/618249041.db2.gz GYLZBRPUUOFBOF-UHFFFAOYSA-N 1 2 259.397 3.404 20 30 CGEDLO CC(C)Cc1ccc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000891695994 618249050 /nfs/dbraw/zinc/24/90/50/618249050.db2.gz GYLZBRPUUOFBOF-UHFFFAOYSA-N 1 2 259.397 3.404 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2csc(C#N)c2)on1 ZINC000891718036 618259088 /nfs/dbraw/zinc/25/90/88/618259088.db2.gz JVDYJUMCFWBZPW-CYBMUJFWSA-N 1 2 273.361 3.253 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2csc(C#N)c2)on1 ZINC000891718036 618259100 /nfs/dbraw/zinc/25/91/00/618259100.db2.gz JVDYJUMCFWBZPW-CYBMUJFWSA-N 1 2 273.361 3.253 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1csc([C@H](C)OC)n1 ZINC000934466651 618626088 /nfs/dbraw/zinc/62/60/88/618626088.db2.gz UWGMSSBVRVHRHX-JQWIXIFHSA-N 1 2 252.383 3.001 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1csc([C@H](C)OC)n1 ZINC000934466651 618626092 /nfs/dbraw/zinc/62/60/92/618626092.db2.gz UWGMSSBVRVHRHX-JQWIXIFHSA-N 1 2 252.383 3.001 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(C#N)c1O ZINC000926431213 618670107 /nfs/dbraw/zinc/67/01/07/618670107.db2.gz LWOSPHRJXBFZOJ-WFASDCNBSA-N 1 2 290.432 3.448 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(C#N)c1O ZINC000926695652 618826981 /nfs/dbraw/zinc/82/69/81/618826981.db2.gz GBQWEJZRDPUNCP-UKRRQHHQSA-N 1 2 286.375 3.016 20 30 CGEDLO CC[C@@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1O ZINC000926698718 618828514 /nfs/dbraw/zinc/82/85/14/618828514.db2.gz CZWHSTMQGYBFGK-CYBMUJFWSA-N 1 2 264.344 3.443 20 30 CGEDLO CC[C@H]([NH2+]Cc1cccnc1C)c1cccc(C#N)c1O ZINC000926760112 618869249 /nfs/dbraw/zinc/86/92/49/618869249.db2.gz IDACISSBDPETBM-INIZCTEOSA-N 1 2 281.359 3.208 20 30 CGEDLO O=C1c2ccccc2OCC/C1=C\c1cccc2[nH+]ccn21 ZINC000180313673 618873879 /nfs/dbraw/zinc/87/38/79/618873879.db2.gz ONTUTGHRQVKTTR-OUKQBFOZSA-N 1 2 290.322 3.383 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc(C#N)c1O ZINC000926777488 618883624 /nfs/dbraw/zinc/88/36/24/618883624.db2.gz CZHWJDRNECEBHN-SWLSCSKDSA-N 1 2 290.432 3.448 20 30 CGEDLO C#CC[C@@H]([NH2+][C@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000925636783 619100066 /nfs/dbraw/zinc/10/00/66/619100066.db2.gz FKXIDHZONIWFPG-GDBMZVCRSA-N 1 2 282.391 3.274 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925676075 619125675 /nfs/dbraw/zinc/12/56/75/619125675.db2.gz YIHBPNPJKKZDQG-LMWOUKEDSA-N 1 2 288.391 3.261 20 30 CGEDLO N#Cc1cccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c1 ZINC000178944662 619705684 /nfs/dbraw/zinc/70/56/84/619705684.db2.gz YUCWQPGLQJITEH-BQYQJAHWSA-N 1 2 273.295 3.102 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000072916969 625370168 /nfs/dbraw/zinc/37/01/68/625370168.db2.gz DMJMITYCRNIJMG-AWEZNQCLSA-N 1 2 294.468 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=S ZINC000072916969 625370174 /nfs/dbraw/zinc/37/01/74/625370174.db2.gz DMJMITYCRNIJMG-AWEZNQCLSA-N 1 2 294.468 3.234 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccsc1)C(=O)OCC ZINC000895597275 619857982 /nfs/dbraw/zinc/85/79/82/619857982.db2.gz HLRJWPJXKGIELL-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO C=CC1(CC(=O)OCCc2c[nH+]cn2C)CCCCC1 ZINC000909549987 620088762 /nfs/dbraw/zinc/08/87/62/620088762.db2.gz KPIPDDJHLYMVCP-UHFFFAOYSA-N 1 2 276.380 3.032 20 30 CGEDLO CC(C)(CC/[NH+]=C\c1ccc(O)c(O)c1O)C1CC1 ZINC000840707502 620090198 /nfs/dbraw/zinc/09/01/98/620090198.db2.gz VWKKRWSCSFLOTO-SXGWCWSVSA-N 1 2 263.337 3.049 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCOC(C)(C)C2)c1O ZINC000840711710 620140136 /nfs/dbraw/zinc/14/01/36/620140136.db2.gz YRGDAHXPCOKVPF-HTMJNSLASA-N 1 2 291.391 3.415 20 30 CGEDLO CC[C@H]([NH2+]CCNc1ccccc1)c1cccc(C#N)c1O ZINC000925233640 620255556 /nfs/dbraw/zinc/25/55/56/620255556.db2.gz ZIRLKYOWMSTJAH-KRWDZBQOSA-N 1 2 295.386 3.417 20 30 CGEDLO CC(C)(C)c1cn(CC#Cc2ccc(F)cc2)c[nH+]1 ZINC000865376295 620396255 /nfs/dbraw/zinc/39/62/55/620396255.db2.gz IBVWLSADGRDZBZ-UHFFFAOYSA-N 1 2 256.324 3.371 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](C)Cc3cc(C#N)cs3)n2c1 ZINC000897625501 620412233 /nfs/dbraw/zinc/41/22/33/620412233.db2.gz LEFATFUPAMHDLX-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](C)Cc3cc(C#N)cs3)n2c1 ZINC000897625501 620412238 /nfs/dbraw/zinc/41/22/38/620412238.db2.gz LEFATFUPAMHDLX-UHFFFAOYSA-N 1 2 296.399 3.208 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218580 620489289 /nfs/dbraw/zinc/48/92/89/620489289.db2.gz KMHJBPMXTSZZOV-ZYHUDNBSSA-N 1 2 264.756 3.218 20 30 CGEDLO COc1cccc(/C=[NH+]/CC(C)(C)C2CCOCC2)c1O ZINC000899230070 620628249 /nfs/dbraw/zinc/62/82/49/620628249.db2.gz BXJFNAIASQRARC-WOJGMQOQSA-N 1 2 291.391 3.273 20 30 CGEDLO Cc1cc(NCc2csc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000902186948 621179092 /nfs/dbraw/zinc/17/90/92/621179092.db2.gz XTHAIHVSRGBMBO-UHFFFAOYSA-N 1 2 272.377 3.454 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1csnn1)c1cccc(C#N)c1 ZINC000903023798 621542483 /nfs/dbraw/zinc/54/24/83/621542483.db2.gz IVTWSHVZYDLOIR-MFKMUULPSA-N 1 2 272.377 3.212 20 30 CGEDLO CC[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C#N)c1 ZINC000903089700 621566802 /nfs/dbraw/zinc/56/68/02/621566802.db2.gz VKHUYYVFZMUXAZ-INIZCTEOSA-N 1 2 292.386 3.468 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cn1 ZINC000903102341 621575286 /nfs/dbraw/zinc/57/52/86/621575286.db2.gz WLWASLUPAZSJIZ-VIFPVBQESA-N 1 2 271.286 3.301 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C#N)cc1F ZINC000903109321 621582309 /nfs/dbraw/zinc/58/23/09/621582309.db2.gz NJIKMBLTJZFYLI-LBPRGKRZSA-N 1 2 271.339 3.432 20 30 CGEDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(C#N)c(F)c1 ZINC000903323715 621677214 /nfs/dbraw/zinc/67/72/14/621677214.db2.gz COTNCTRZBVFBPR-BDJLRTHQSA-N 1 2 296.349 3.289 20 30 CGEDLO C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cccc(C#N)c1O ZINC000903429834 621742493 /nfs/dbraw/zinc/74/24/93/621742493.db2.gz SSCHMVIRCSVYTD-SJCJKPOMSA-N 1 2 293.370 3.461 20 30 CGEDLO C[C@@H](C#N)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904849951 622008393 /nfs/dbraw/zinc/00/83/93/622008393.db2.gz SOMVGYHRSNBGCB-LBPRGKRZSA-N 1 2 251.333 3.442 20 30 CGEDLO COc1ccc(C2CC2)cc1C[NH2+]C[C@H](C#N)CCC#N ZINC000905782214 622105037 /nfs/dbraw/zinc/10/50/37/622105037.db2.gz ZSBKCUOOJUMHQA-ZDUSSCGKSA-N 1 2 283.375 3.106 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)C(C)C)cnc1Cl ZINC000768762162 625547197 /nfs/dbraw/zinc/54/71/97/625547197.db2.gz BBQIMHKNGZMXLA-UHFFFAOYSA-N 1 2 251.761 3.168 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)C(C)C)cnc1Cl ZINC000768762162 625547210 /nfs/dbraw/zinc/54/72/10/625547210.db2.gz BBQIMHKNGZMXLA-UHFFFAOYSA-N 1 2 251.761 3.168 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906588402 622250194 /nfs/dbraw/zinc/25/01/94/622250194.db2.gz QYUBIYSYPLVIDX-OWCLPIDISA-N 1 2 258.340 3.307 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906588402 622250197 /nfs/dbraw/zinc/25/01/97/622250197.db2.gz QYUBIYSYPLVIDX-OWCLPIDISA-N 1 2 258.340 3.307 20 30 CGEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c3ccccn13)C2 ZINC000172544449 623254426 /nfs/dbraw/zinc/25/44/26/623254426.db2.gz GAICJBUTNUFUDU-GXDHUFHOSA-N 1 2 274.323 3.465 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@](C)(CC)C2)c1=S ZINC000173424674 623322533 /nfs/dbraw/zinc/32/25/33/623322533.db2.gz OYEPOGBYQRHYHC-HNNXBMFYSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@](C)(CC)C2)c1=S ZINC000173424674 623322539 /nfs/dbraw/zinc/32/25/39/623322539.db2.gz OYEPOGBYQRHYHC-HNNXBMFYSA-N 1 2 294.468 3.378 20 30 CGEDLO CC(C)n1c[nH+]cc1CN=Nc1cc(C(F)(F)F)ccn1 ZINC000819814034 625667153 /nfs/dbraw/zinc/66/71/53/625667153.db2.gz VRMVXZJIWODOHU-UHFFFAOYSA-N 1 2 297.284 3.324 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914568431 623829857 /nfs/dbraw/zinc/82/98/57/623829857.db2.gz ICFQJNOLLWSFKF-NSHDSACASA-N 1 2 282.457 3.232 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914568431 623829858 /nfs/dbraw/zinc/82/98/58/623829858.db2.gz ICFQJNOLLWSFKF-NSHDSACASA-N 1 2 282.457 3.232 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000069797115 624900115 /nfs/dbraw/zinc/90/01/15/624900115.db2.gz SSGYIUMKLWHJCP-UHFFFAOYSA-N 1 2 292.452 3.167 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000069797115 624900124 /nfs/dbraw/zinc/90/01/24/624900124.db2.gz SSGYIUMKLWHJCP-UHFFFAOYSA-N 1 2 292.452 3.167 20 30 CGEDLO Nc1c(Cl)cc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1Cl ZINC000773162472 625860194 /nfs/dbraw/zinc/86/01/94/625860194.db2.gz VWAOKIIBHKGFMV-OWOJBTEDSA-N 1 2 282.130 3.195 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4cc(O)ccc4C3=O)n2c1 ZINC000187230018 626182364 /nfs/dbraw/zinc/18/23/64/626182364.db2.gz YNDIUBACZBCYBL-NTUHNPAUSA-N 1 2 290.322 3.171 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C(=O)OC ZINC000839167423 626324500 /nfs/dbraw/zinc/32/45/00/626324500.db2.gz DFNDWYRUDOVSHP-HPBDAGMYSA-N 1 2 299.414 3.113 20 30 CGEDLO C(=NOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000839421164 626346888 /nfs/dbraw/zinc/34/68/88/626346888.db2.gz BBPHHGXQWBLFEY-UHFFFAOYSA-N 1 2 277.327 3.423 20 30 CGEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000753587701 626457279 /nfs/dbraw/zinc/45/72/79/626457279.db2.gz QCUBBBWPYRCZNX-INIZCTEOSA-N 1 2 275.371 3.017 20 30 CGEDLO CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000753587701 626457280 /nfs/dbraw/zinc/45/72/80/626457280.db2.gz QCUBBBWPYRCZNX-INIZCTEOSA-N 1 2 275.371 3.017 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000758465016 626844970 /nfs/dbraw/zinc/84/49/70/626844970.db2.gz WGSVKUYRNNDZRS-UHFFFAOYSA-N 1 2 295.386 3.257 20 30 CGEDLO N#Cc1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000767359124 627401021 /nfs/dbraw/zinc/40/10/21/627401021.db2.gz GANOHUBPOKVOJK-UHFFFAOYSA-N 1 2 287.326 3.190 20 30 CGEDLO O=C(C=Cc1cccc2[nH+]ccn21)c1c[nH]c2ncccc12 ZINC000769609163 627569297 /nfs/dbraw/zinc/56/92/97/627569297.db2.gz HEBXBHVCEFSSFX-VOTSOKGWSA-N 1 2 288.310 3.107 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771461474 627710951 /nfs/dbraw/zinc/71/09/51/627710951.db2.gz FPIGXGLPLJUCML-UHFFFAOYSA-N 1 2 291.778 3.299 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771461474 627710956 /nfs/dbraw/zinc/71/09/56/627710956.db2.gz FPIGXGLPLJUCML-UHFFFAOYSA-N 1 2 291.778 3.299 20 30 CGEDLO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)Cc1ccccc1 ZINC000774748936 628022875 /nfs/dbraw/zinc/02/28/75/628022875.db2.gz GRWNOZAPBCUSPF-UHFFFAOYSA-N 1 2 299.761 3.453 20 30 CGEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000776743238 628229486 /nfs/dbraw/zinc/22/94/86/628229486.db2.gz NHUGMDFCPYFDTN-UHFFFAOYSA-N 1 2 299.761 3.357 20 30 CGEDLO Cc1cc2ncn(C[N@@H+]3CCC[C@](C)(C#N)C3)c2cc1C ZINC000784020541 628767379 /nfs/dbraw/zinc/76/73/79/628767379.db2.gz GPCBBDCWPIBHOR-QGZVFWFLSA-N 1 2 282.391 3.236 20 30 CGEDLO Cc1cc2ncn(C[N@H+]3CCC[C@](C)(C#N)C3)c2cc1C ZINC000784020541 628767381 /nfs/dbraw/zinc/76/73/81/628767381.db2.gz GPCBBDCWPIBHOR-QGZVFWFLSA-N 1 2 282.391 3.236 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000785877578 628892858 /nfs/dbraw/zinc/89/28/58/628892858.db2.gz VMUYPARZYJUTON-CYBMUJFWSA-N 1 2 288.395 3.028 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000788000298 629039362 /nfs/dbraw/zinc/03/93/62/629039362.db2.gz UCEAWIYMUPXXIU-UHFFFAOYSA-N 1 2 291.192 3.164 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000788000298 629039366 /nfs/dbraw/zinc/03/93/66/629039366.db2.gz UCEAWIYMUPXXIU-UHFFFAOYSA-N 1 2 291.192 3.164 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000790185663 629190428 /nfs/dbraw/zinc/19/04/28/629190428.db2.gz IZYZCPVDALHCMZ-UHFFFAOYSA-N 1 2 272.327 3.041 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(SC(F)F)cc1 ZINC000790300395 629201033 /nfs/dbraw/zinc/20/10/33/629201033.db2.gz WZIYLBYUXKUKLP-UHFFFAOYSA-N 1 2 282.319 3.181 20 30 CGEDLO C#CC[N@H+](CC#Cc1ccccc1)Cc1ccc(F)cc1 ZINC000792209384 629349985 /nfs/dbraw/zinc/34/99/85/629349985.db2.gz DQQGTOLREFBVQD-UHFFFAOYSA-N 1 2 277.342 3.313 20 30 CGEDLO C#CC[N@@H+](CC#Cc1ccccc1)Cc1ccc(F)cc1 ZINC000792209384 629349987 /nfs/dbraw/zinc/34/99/87/629349987.db2.gz DQQGTOLREFBVQD-UHFFFAOYSA-N 1 2 277.342 3.313 20 30 CGEDLO Cc1cccc2c1C/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000119139299 629445728 /nfs/dbraw/zinc/44/57/28/629445728.db2.gz GTZDFSLYQRWSML-UKTHLTGXSA-N 1 2 274.323 3.465 20 30 CGEDLO C#CC[N@@H+](CC)Cc1c(F)cccc1OC(F)(F)F ZINC000793584567 629487064 /nfs/dbraw/zinc/48/70/64/629487064.db2.gz OZFFIPUBYDTMFZ-UHFFFAOYSA-N 1 2 275.245 3.179 20 30 CGEDLO C#CC[N@H+](CC)Cc1c(F)cccc1OC(F)(F)F ZINC000793584567 629487075 /nfs/dbraw/zinc/48/70/75/629487075.db2.gz OZFFIPUBYDTMFZ-UHFFFAOYSA-N 1 2 275.245 3.179 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@@H]2CCCS2)c1O ZINC000864347294 629815796 /nfs/dbraw/zinc/81/57/96/629815796.db2.gz OJSPQUZJHKXHIZ-GQVHDAKQSA-N 1 2 265.378 3.105 20 30 CGEDLO Cc1nn(C(C)C)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000799112623 630144140 /nfs/dbraw/zinc/14/41/40/630144140.db2.gz UEJZUOPAGNDSGR-UHFFFAOYSA-N 1 2 293.374 3.189 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(Cl)c(Cl)c2)[C@H]2CCCN12 ZINC000799476399 630186853 /nfs/dbraw/zinc/18/68/53/630186853.db2.gz GIPARXFAFCBWPD-GFCCVEGCSA-N 1 2 298.173 3.156 20 30 CGEDLO C[C@@H]1CC(CC/[NH+]=C/c2cccc(O)c2O)C[C@H](C)O1 ZINC000801646213 630349421 /nfs/dbraw/zinc/34/94/21/630349421.db2.gz NLPGIZZKYVVGCN-WEQPLDERSA-N 1 2 277.364 3.110 20 30 CGEDLO C=CC[C@H](C(=O)OCCCc1[nH+]ccn1C)c1ccccc1 ZINC000802787892 630412203 /nfs/dbraw/zinc/41/22/03/630412203.db2.gz MSXSRUDDTYQZLJ-INIZCTEOSA-N 1 2 298.386 3.256 20 30 CGEDLO C#CCCOc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000808431660 630644214 /nfs/dbraw/zinc/64/42/14/630644214.db2.gz KJCOTPFYOIJCFN-HNNXBMFYSA-N 1 2 279.330 3.366 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809566152 630751111 /nfs/dbraw/zinc/75/11/11/630751111.db2.gz HGGBTZUPZQYADY-CYBMUJFWSA-N 1 2 297.443 3.256 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809566152 630751112 /nfs/dbraw/zinc/75/11/12/630751112.db2.gz HGGBTZUPZQYADY-CYBMUJFWSA-N 1 2 297.443 3.256 20 30 CGEDLO C#Cc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000809633671 630768691 /nfs/dbraw/zinc/76/86/91/630768691.db2.gz RJYKFGDCYWSFHN-MRXNPFEDSA-N 1 2 295.386 3.415 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000809717268 630789778 /nfs/dbraw/zinc/78/97/78/630789778.db2.gz YWSNNLRDWAYXLV-UHFFFAOYSA-N 1 2 266.369 3.255 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000809717268 630789782 /nfs/dbraw/zinc/78/97/82/630789782.db2.gz YWSNNLRDWAYXLV-UHFFFAOYSA-N 1 2 266.369 3.255 20 30 CGEDLO C#CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC000809715893 630790383 /nfs/dbraw/zinc/79/03/83/630790383.db2.gz HOXWUQDFODTXIP-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO C#CC[N@H+](Cc1cnc2c(C)cccn12)Cc1ccccc1 ZINC000809715893 630790389 /nfs/dbraw/zinc/79/03/89/630790389.db2.gz HOXWUQDFODTXIP-UHFFFAOYSA-N 1 2 289.382 3.278 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)(C)C ZINC000809781818 630807195 /nfs/dbraw/zinc/80/71/95/630807195.db2.gz BNYHSFIOFVFIDT-LBPRGKRZSA-N 1 2 269.747 3.322 20 30 CGEDLO C[N@H+](Cc1c(O)cccc1Cl)CC(C)(C)C#N ZINC000816631944 632026142 /nfs/dbraw/zinc/02/61/42/632026142.db2.gz MSMZZKQFPSUFRH-UHFFFAOYSA-N 1 2 252.745 3.027 20 30 CGEDLO C[N@@H+](Cc1c(O)cccc1Cl)CC(C)(C)C#N ZINC000816631944 632026152 /nfs/dbraw/zinc/02/61/52/632026152.db2.gz MSMZZKQFPSUFRH-UHFFFAOYSA-N 1 2 252.745 3.027 20 30 CGEDLO CCOc1ccc(/C=N\Cc2cc(C)[nH+]c(C)c2)c(O)c1 ZINC000817707882 632202188 /nfs/dbraw/zinc/20/21/88/632202188.db2.gz PMLYNOQRBGQDOU-WQRHYEAKSA-N 1 2 284.359 3.422 20 30 CGEDLO COc1cccc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866233357 633036812 /nfs/dbraw/zinc/03/68/12/633036812.db2.gz FPBCWOZZSKWHFN-CYBMUJFWSA-N 1 2 296.370 3.166 20 30 CGEDLO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866268978 633054745 /nfs/dbraw/zinc/05/47/45/633054745.db2.gz BWWBSRLUVMURPV-MNOVXSKESA-N 1 2 264.394 3.056 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1CCOCC1 ZINC000866277583 633061380 /nfs/dbraw/zinc/06/13/80/633061380.db2.gz NXZBHZWUKRVKDN-LRDDRELGSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@H](CSC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866314121 633079126 /nfs/dbraw/zinc/07/91/26/633079126.db2.gz KIINEUVKEKLHJX-CMPLNLGQSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866336942 633084971 /nfs/dbraw/zinc/08/49/71/633084971.db2.gz TWXWSGUMKCQJMH-MCIONIFRSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc(C#N)c1O ZINC000866337993 633085992 /nfs/dbraw/zinc/08/59/92/633085992.db2.gz NHLZBSATYKINOF-WDEREUQCSA-N 1 2 287.388 3.175 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C#N)c1O ZINC000866359369 633100147 /nfs/dbraw/zinc/10/01/47/633100147.db2.gz PPRQPCKUCXNSIX-JSGCOSHPSA-N 1 2 294.354 3.091 20 30 CGEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866385914 633114777 /nfs/dbraw/zinc/11/47/77/633114777.db2.gz SNLFJLUGDXQCEK-STQMWFEESA-N 1 2 281.359 3.113 20 30 CGEDLO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866385966 633115123 /nfs/dbraw/zinc/11/51/23/633115123.db2.gz USZLICHGCPIFMR-DOMZBBRYSA-N 1 2 288.391 3.120 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000824196907 633210143 /nfs/dbraw/zinc/21/01/43/633210143.db2.gz ZYISRCWGTIOEKI-VHSXEESVSA-N 1 2 290.215 3.325 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3ncncc3C#N)cc2)CC1 ZINC000825534094 633362765 /nfs/dbraw/zinc/36/27/65/633362765.db2.gz DVUOEBZBBRAHJG-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO CC(=[NH+]NC[C@@H]1CCCC1(F)F)c1cc(N)ccc1F ZINC000872407623 634135512 /nfs/dbraw/zinc/13/55/12/634135512.db2.gz YFAKIZAJSNJBER-JTQLQIEISA-N 1 2 285.313 3.157 20 30 CGEDLO Cc1cccnc1N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834972113 634299250 /nfs/dbraw/zinc/29/92/50/634299250.db2.gz DDMGCNLAJQMYPG-UHFFFAOYSA-N 1 2 266.348 3.125 20 30 CGEDLO CC(=NN[C@@H](C)C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000834997028 634305023 /nfs/dbraw/zinc/30/50/23/634305023.db2.gz YADVPWRUAOLQML-NSHDSACASA-N 1 2 296.296 3.137 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1sc(C)cc1Br ZINC000835048727 634335619 /nfs/dbraw/zinc/33/56/19/634335619.db2.gz LKNHXARSLYLANA-MRVPVSSYSA-N 1 2 272.211 3.273 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1sc(C)cc1Br ZINC000835048727 634335625 /nfs/dbraw/zinc/33/56/25/634335625.db2.gz LKNHXARSLYLANA-MRVPVSSYSA-N 1 2 272.211 3.273 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000876681650 634880087 /nfs/dbraw/zinc/88/00/87/634880087.db2.gz WQZVXQNTBDFHCM-WBMJQRKESA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000876681650 634880089 /nfs/dbraw/zinc/88/00/89/634880089.db2.gz WQZVXQNTBDFHCM-WBMJQRKESA-N 1 2 294.345 3.278 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000877303410 635021839 /nfs/dbraw/zinc/02/18/39/635021839.db2.gz GDGLSHJSXNDHMW-AWEZNQCLSA-N 1 2 296.361 3.073 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000840713542 635040402 /nfs/dbraw/zinc/04/04/02/635040402.db2.gz SPDJAXNZMWVJEG-NFZPIQDPSA-N 1 2 277.364 3.023 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1ccc(C#N)cc1 ZINC000878355718 635473432 /nfs/dbraw/zinc/47/34/32/635473432.db2.gz MBIUDELPFVYQMZ-GFCCVEGCSA-N 1 2 281.359 3.276 20 30 CGEDLO CCCCCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844129932 635826423 /nfs/dbraw/zinc/82/64/23/635826423.db2.gz ASCCFNUUMVDDKM-HNNXBMFYSA-N 1 2 291.439 3.312 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879747241 635850593 /nfs/dbraw/zinc/85/05/93/635850593.db2.gz LLVGCFHFXDQHQG-CYBMUJFWSA-N 1 2 281.197 3.436 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879747241 635850596 /nfs/dbraw/zinc/85/05/96/635850596.db2.gz LLVGCFHFXDQHQG-CYBMUJFWSA-N 1 2 281.197 3.436 20 30 CGEDLO COc1ccccc1[C@H]1CSCCC[N@@H+]1CCC#N ZINC000880173933 635927838 /nfs/dbraw/zinc/92/78/38/635927838.db2.gz QHDREXVCGOANPI-CQSZACIVSA-N 1 2 276.405 3.089 20 30 CGEDLO COc1ccccc1[C@H]1CSCCC[N@H+]1CCC#N ZINC000880173933 635927841 /nfs/dbraw/zinc/92/78/41/635927841.db2.gz QHDREXVCGOANPI-CQSZACIVSA-N 1 2 276.405 3.089 20 30 CGEDLO FC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000880239301 635949749 /nfs/dbraw/zinc/94/97/49/635949749.db2.gz YWKFVDVLXHEUKD-UHFFFAOYSA-N 1 2 251.732 3.125 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(F)CC1 ZINC000880239722 635949779 /nfs/dbraw/zinc/94/97/79/635949779.db2.gz FMRVQMGFMMHCRI-UHFFFAOYSA-N 1 2 252.720 3.146 20 30 CGEDLO C=CCCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845286081 636020109 /nfs/dbraw/zinc/02/01/09/636020109.db2.gz UEJTUKGJPJKNLV-STQMWFEESA-N 1 2 250.342 3.122 20 30 CGEDLO C=CCCC[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845500068 636040631 /nfs/dbraw/zinc/04/06/31/636040631.db2.gz HMTPATLRWGFGBT-CYBMUJFWSA-N 1 2 276.380 3.050 20 30 CGEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019134 636312537 /nfs/dbraw/zinc/31/25/37/636312537.db2.gz OZMOZTCPYKEFDZ-KBPBESRZSA-N 1 2 281.359 3.143 20 30 CGEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019134 636312551 /nfs/dbraw/zinc/31/25/51/636312551.db2.gz OZMOZTCPYKEFDZ-KBPBESRZSA-N 1 2 281.359 3.143 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1c(C)oc2ccccc21 ZINC000848416692 636571486 /nfs/dbraw/zinc/57/14/86/636571486.db2.gz VAWMXFNOPNBDLA-UHFFFAOYSA-N 1 2 296.374 3.342 20 30 CGEDLO CC(CCc1ccccc1F)N=NCCCn1cc[nH+]c1 ZINC000848419127 636572827 /nfs/dbraw/zinc/57/28/27/636572827.db2.gz ZFGZOKCNAQBFLV-UHFFFAOYSA-N 1 2 288.370 3.011 20 30 CGEDLO Cc1ccc(C2CC(=NNCCCn3cc[nH+]c3)C2)cc1 ZINC000848417958 636572950 /nfs/dbraw/zinc/57/29/50/636572950.db2.gz HAYGPWSPEBOSND-UHFFFAOYSA-N 1 2 282.391 3.105 20 30 CGEDLO C[C@H]1CC(C)(C)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417727 636573017 /nfs/dbraw/zinc/57/30/17/636573017.db2.gz DKYDRXZQKYBOHF-ZDUSSCGKSA-N 1 2 262.401 3.065 20 30 CGEDLO C=CCOc1cccc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000883307817 636659517 /nfs/dbraw/zinc/65/95/17/636659517.db2.gz BNBWHYYAOYLECB-UHFFFAOYSA-N 1 2 295.386 3.210 20 30 CGEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3ncccn3)CCC1)CC2 ZINC000883311534 636660625 /nfs/dbraw/zinc/66/06/25/636660625.db2.gz CZSIOFJFVFIIMV-INIZCTEOSA-N 1 2 290.370 3.005 20 30 CGEDLO CCc1cccc(C[N@H+](CC#N)C2CCCC2)c1O ZINC000848888504 636676702 /nfs/dbraw/zinc/67/67/02/636676702.db2.gz VLGASASSKLUJSO-UHFFFAOYSA-N 1 2 258.365 3.223 20 30 CGEDLO CCc1cccc(C[N@@H+](CC#N)C2CCCC2)c1O ZINC000848888504 636676709 /nfs/dbraw/zinc/67/67/09/636676709.db2.gz VLGASASSKLUJSO-UHFFFAOYSA-N 1 2 258.365 3.223 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C\c1cc(OC)ccc1O ZINC000849169362 636762150 /nfs/dbraw/zinc/76/21/50/636762150.db2.gz BOQOUQJPIFECLB-WQRHYEAKSA-N 1 2 293.407 3.397 20 30 CGEDLO C#CC[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000884595300 637088885 /nfs/dbraw/zinc/08/88/85/637088885.db2.gz DKUHZCPVIPOOPK-GFCCVEGCSA-N 1 2 254.308 3.224 20 30 CGEDLO C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000851207753 637304655 /nfs/dbraw/zinc/30/46/55/637304655.db2.gz HETLXISWMKFKFF-CYBMUJFWSA-N 1 2 297.358 3.357 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886275906 637478615 /nfs/dbraw/zinc/47/86/15/637478615.db2.gz QBGYGQVLOARZPE-GFCCVEGCSA-N 1 2 258.321 3.090 20 30 CGEDLO C#CC[N@@H+](Cc1cc(OC)ns1)[C@@H]1CCc2ccccc21 ZINC000851734926 637483448 /nfs/dbraw/zinc/48/34/48/637483448.db2.gz AWWJTPYPHQUXNL-MRXNPFEDSA-N 1 2 298.411 3.274 20 30 CGEDLO C#CC[N@H+](Cc1cc(OC)ns1)[C@@H]1CCc2ccccc21 ZINC000851734926 637483449 /nfs/dbraw/zinc/48/34/49/637483449.db2.gz AWWJTPYPHQUXNL-MRXNPFEDSA-N 1 2 298.411 3.274 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000852102880 637597571 /nfs/dbraw/zinc/59/75/71/637597571.db2.gz SCHIMHPYTDIEHU-GUYCJALGSA-N 1 2 283.375 3.498 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCOC1CCCC1 ZINC000853193054 637778016 /nfs/dbraw/zinc/77/80/16/637778016.db2.gz KIKJNWADDHAFMP-UHFFFAOYSA-N 1 2 288.391 3.245 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(=C)Br ZINC000853235227 637788564 /nfs/dbraw/zinc/78/85/64/637788564.db2.gz XVWUPZFLHPZVFW-UHFFFAOYSA-N 1 2 295.180 3.194 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1scnc1C ZINC000853271990 637799559 /nfs/dbraw/zinc/79/95/59/637799559.db2.gz HYZMYGYMPRHKRY-UHFFFAOYSA-N 1 2 287.388 3.251 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@](C)(OC)C1CC1 ZINC000853638882 637877839 /nfs/dbraw/zinc/87/78/39/637877839.db2.gz CXYHHUXFWQPZOU-QGZVFWFLSA-N 1 2 288.391 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cc(C)ccn1 ZINC000853647278 637880787 /nfs/dbraw/zinc/88/07/87/637880787.db2.gz WFPFPYVSIPFLEC-UHFFFAOYSA-N 1 2 281.359 3.189 20 30 CGEDLO N#CC1(CC(=O)Nc2cccc3[nH+]ccn32)CCCCC1 ZINC000857140719 638460771 /nfs/dbraw/zinc/46/07/71/638460771.db2.gz KYRYXYOXZCNFCI-UHFFFAOYSA-N 1 2 282.347 3.137 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000925437083 638502737 /nfs/dbraw/zinc/50/27/37/638502737.db2.gz JLVLVWOATNXFIO-HIFRSBDPSA-N 1 2 256.349 3.413 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000926322155 638763180 /nfs/dbraw/zinc/76/31/80/638763180.db2.gz DKVFQWSPQRWTMQ-FZMZJTMJSA-N 1 2 276.405 3.058 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)F)c1cccc(C#N)c1O ZINC000926780345 638810915 /nfs/dbraw/zinc/81/09/15/638810915.db2.gz NDVRZXUPGLLKPG-LBPRGKRZSA-N 1 2 250.317 3.053 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1snnc1C ZINC000929364562 638921312 /nfs/dbraw/zinc/92/13/12/638921312.db2.gz PRJACVFVFQCQDN-CYBMUJFWSA-N 1 2 298.415 3.467 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1snnc1C ZINC000929364562 638921314 /nfs/dbraw/zinc/92/13/14/638921314.db2.gz PRJACVFVFQCQDN-CYBMUJFWSA-N 1 2 298.415 3.467 20 30 CGEDLO N#CC1(CCCC[N@@H+]2Cc3cccnc3C2)CCC1 ZINC000930308278 638989549 /nfs/dbraw/zinc/98/95/49/638989549.db2.gz VZVFOTNLLMWXJK-UHFFFAOYSA-N 1 2 255.365 3.261 20 30 CGEDLO N#CC1(CCCC[N@H+]2Cc3cccnc3C2)CCC1 ZINC000930308278 638989550 /nfs/dbraw/zinc/98/95/50/638989550.db2.gz VZVFOTNLLMWXJK-UHFFFAOYSA-N 1 2 255.365 3.261 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000931145036 639117089 /nfs/dbraw/zinc/11/70/89/639117089.db2.gz ATJVRMQTUIUULV-AWEZNQCLSA-N 1 2 290.407 3.268 20 30 CGEDLO Cc1nnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000933606471 639468588 /nfs/dbraw/zinc/46/85/88/639468588.db2.gz IUNVIZKAGQEVFU-UHFFFAOYSA-N 1 2 298.415 3.098 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3cccc(F)c3)CCO2)cc1 ZINC000933621355 639470691 /nfs/dbraw/zinc/47/06/91/639470691.db2.gz ARPZSLPRGRVFJS-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)cc1 ZINC000933621355 639470697 /nfs/dbraw/zinc/47/06/97/639470697.db2.gz ARPZSLPRGRVFJS-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C=C(C)c1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000934873385 639694156 /nfs/dbraw/zinc/69/41/56/639694156.db2.gz JTFDRDNZWZZDOX-UHFFFAOYSA-N 1 2 284.363 3.128 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008448961 640951074 /nfs/dbraw/zinc/95/10/74/640951074.db2.gz MTZWPNVOTMOKMN-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008448961 640951078 /nfs/dbraw/zinc/95/10/78/640951078.db2.gz MTZWPNVOTMOKMN-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016040501 640990028 /nfs/dbraw/zinc/99/00/28/640990028.db2.gz KWFNJKYWHKEJOG-RBSFLKMASA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016040501 640990029 /nfs/dbraw/zinc/99/00/29/640990029.db2.gz KWFNJKYWHKEJOG-RBSFLKMASA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016361905 640996434 /nfs/dbraw/zinc/99/64/34/640996434.db2.gz ISEDQCXZHBMMSU-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016361905 640996437 /nfs/dbraw/zinc/99/64/37/640996437.db2.gz ISEDQCXZHBMMSU-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016376196 640997980 /nfs/dbraw/zinc/99/79/80/640997980.db2.gz RYQSWQCUCFMIEI-JXQTWKCFSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016376196 640997983 /nfs/dbraw/zinc/99/79/83/640997983.db2.gz RYQSWQCUCFMIEI-JXQTWKCFSA-N 1 2 298.858 3.002 20 30 CGEDLO CCOc1nccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001250383290 805595077 /nfs/dbraw/zinc/59/50/77/805595077.db2.gz UGQQMWNFMVHUJN-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1nccc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001250383290 805595080 /nfs/dbraw/zinc/59/50/80/805595080.db2.gz UGQQMWNFMVHUJN-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H](C2CCC2)C(F)(F)F)c1 ZINC001158400740 805950575 /nfs/dbraw/zinc/95/05/75/805950575.db2.gz CPLGZGXRGFPUAM-LBPRGKRZSA-N 1 2 269.270 3.291 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@H+](C)Cc1ncccn1 ZINC001252122079 806008728 /nfs/dbraw/zinc/00/87/28/806008728.db2.gz PQDDDBRCKDJJGK-HNNXBMFYSA-N 1 2 279.428 3.020 20 30 CGEDLO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1ncccn1 ZINC001252122079 806008732 /nfs/dbraw/zinc/00/87/32/806008732.db2.gz PQDDDBRCKDJJGK-HNNXBMFYSA-N 1 2 279.428 3.020 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC001253240259 806189668 /nfs/dbraw/zinc/18/96/68/806189668.db2.gz IESVHOAFDNEKRD-HNNXBMFYSA-N 1 2 282.453 3.462 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC001253240259 806189669 /nfs/dbraw/zinc/18/96/69/806189669.db2.gz IESVHOAFDNEKRD-HNNXBMFYSA-N 1 2 282.453 3.462 20 30 CGEDLO Cc1cc(C)c(CNc2cc(CC#N)cc[nH+]2)c(O)c1 ZINC001160810596 806306282 /nfs/dbraw/zinc/30/62/82/806306282.db2.gz SXRSAHZAWZHQRE-UHFFFAOYSA-N 1 2 267.332 3.082 20 30 CGEDLO N#CC1([NH2+]C2CCc3ccccc3CC2)CCCC1 ZINC001254452669 806404856 /nfs/dbraw/zinc/40/48/56/806404856.db2.gz MWQLLYYEIFQFDB-UHFFFAOYSA-N 1 2 254.377 3.360 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1N[C@H](C#N)c1ccccc1 ZINC001161718801 806432043 /nfs/dbraw/zinc/43/20/43/806432043.db2.gz TVOJTMMFIFSJSC-CQSZACIVSA-N 1 2 266.348 3.133 20 30 CGEDLO C#CCCCNc1cc(C)[nH+]c(-c2ccccc2)n1 ZINC001162439070 806586220 /nfs/dbraw/zinc/58/62/20/806586220.db2.gz HBGLIPWPXUKPIB-UHFFFAOYSA-N 1 2 251.333 3.277 20 30 CGEDLO C#CC1(Nc2cc(N3CCCCC3)nc[nH+]2)CCCCC1 ZINC001162479984 806596191 /nfs/dbraw/zinc/59/61/91/806596191.db2.gz SKIGZHMMQOIQLF-UHFFFAOYSA-N 1 2 284.407 3.215 20 30 CGEDLO C#CC1(Nc2cc(N3CCCCC3)[nH+]cn2)CCCCC1 ZINC001162479984 806596195 /nfs/dbraw/zinc/59/61/95/806596195.db2.gz SKIGZHMMQOIQLF-UHFFFAOYSA-N 1 2 284.407 3.215 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC(C)(C)CCOC)c1 ZINC000588451385 799695977 /nfs/dbraw/zinc/69/59/77/799695977.db2.gz GRHOVSJHLPXVNH-BOPFTXTBSA-N 1 2 279.380 3.273 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C(=O)OCC ZINC001255854925 806770918 /nfs/dbraw/zinc/77/09/18/806770918.db2.gz XLHDSSKXLJMJBA-VXGBXAGGSA-N 1 2 273.442 3.004 20 30 CGEDLO Cc1cccnc1NC(=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC001163674313 806799454 /nfs/dbraw/zinc/79/94/54/806799454.db2.gz MQPQKWCZSSMBMN-UHFFFAOYSA-N 1 2 279.265 3.446 20 30 CGEDLO Cc1ccnc(N=NC(C)C[NH+]2Cc3ccccc3C2)c1 ZINC000792635539 800392126 /nfs/dbraw/zinc/39/21/26/800392126.db2.gz RJGLRLXWOKTYNM-UHFFFAOYSA-N 1 2 280.375 3.194 20 30 CGEDLO Cc1cc(N[C@@H](C)c2cc(C#N)ccn2)c[nH+]c1C ZINC000903087357 800594294 /nfs/dbraw/zinc/59/42/94/800594294.db2.gz GDXQNDOPDUWQEB-LBPRGKRZSA-N 1 2 252.321 3.138 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071313267 801525941 /nfs/dbraw/zinc/52/59/41/801525941.db2.gz XCTCXUNNKVZBPE-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071313267 801525946 /nfs/dbraw/zinc/52/59/46/801525946.db2.gz XCTCXUNNKVZBPE-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071317695 801528613 /nfs/dbraw/zinc/52/86/13/801528613.db2.gz XINOXUNBCNKPMO-DZGCQCFKSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071317695 801528621 /nfs/dbraw/zinc/52/86/21/801528621.db2.gz XINOXUNBCNKPMO-DZGCQCFKSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071322973 801528858 /nfs/dbraw/zinc/52/88/58/801528858.db2.gz ZMBUEAITUQWBIE-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071322973 801528863 /nfs/dbraw/zinc/52/88/63/801528863.db2.gz ZMBUEAITUQWBIE-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096741601 801893045 /nfs/dbraw/zinc/89/30/45/801893045.db2.gz LEGANDPKRVQLBM-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096741601 801893049 /nfs/dbraw/zinc/89/30/49/801893049.db2.gz LEGANDPKRVQLBM-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC(F)(F)C[C@H]3CF)c2c1 ZINC001164525392 806954254 /nfs/dbraw/zinc/95/42/54/806954254.db2.gz DRVDPKHYEYTKEZ-LBPRGKRZSA-N 1 2 291.276 3.290 20 30 CGEDLO COc1cccc(/C=[NH+]\CCc2ccc(N(C)C)cc2)c1O ZINC001115934264 802288266 /nfs/dbraw/zinc/28/82/66/802288266.db2.gz ROXLRLNAJKFIEK-UYRXBGFRSA-N 1 2 298.386 3.128 20 30 CGEDLO CC(=[NH+]OC(C)(C)C)c1c(F)cccc1N1CCOCC1 ZINC001116405327 802342956 /nfs/dbraw/zinc/34/29/56/802342956.db2.gz YSNJPMHBJUUQHS-UHFFFAOYSA-N 1 2 294.370 3.201 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(C)c(F)cc1Br ZINC001180280812 809989362 /nfs/dbraw/zinc/98/93/62/809989362.db2.gz NFTGJLJENZQBAU-UHFFFAOYSA-N 1 2 284.172 3.352 20 30 CGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001256868662 806995360 /nfs/dbraw/zinc/99/53/60/806995360.db2.gz YMKMJIGJJIDAIG-HTHKGWQXSA-N 1 2 265.397 3.053 20 30 CGEDLO COc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)c(C#N)c1 ZINC001243731635 802970722 /nfs/dbraw/zinc/97/07/22/802970722.db2.gz FNPXEKMQXHQSLX-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131918788 803357892 /nfs/dbraw/zinc/35/78/92/803357892.db2.gz SPDCELKTZJMHFZ-ULKYWBSGSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131918788 803357896 /nfs/dbraw/zinc/35/78/96/803357896.db2.gz SPDCELKTZJMHFZ-ULKYWBSGSA-N 1 2 284.831 3.064 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001136461142 803644416 /nfs/dbraw/zinc/64/44/16/803644416.db2.gz ZBQPIZOHGXFDGT-SNVBAGLBSA-N 1 2 288.738 3.014 20 30 CGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC001137597366 803743581 /nfs/dbraw/zinc/74/35/81/803743581.db2.gz ZEEMENNPNNSNFQ-INIZCTEOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC001137597366 803743586 /nfs/dbraw/zinc/74/35/86/803743586.db2.gz ZEEMENNPNNSNFQ-INIZCTEOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001137938975 803802406 /nfs/dbraw/zinc/80/24/06/803802406.db2.gz CGEKMEFFJVDGLB-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001137938975 803802415 /nfs/dbraw/zinc/80/24/15/803802415.db2.gz CGEKMEFFJVDGLB-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001137991779 803815554 /nfs/dbraw/zinc/81/55/54/803815554.db2.gz UHYMCYLCZRNBEY-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001137991779 803815562 /nfs/dbraw/zinc/81/55/62/803815562.db2.gz UHYMCYLCZRNBEY-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCCCOc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001138956779 804084005 /nfs/dbraw/zinc/08/40/05/804084005.db2.gz ROJWTLSMHQODEV-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCCOc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001138956779 804084014 /nfs/dbraw/zinc/08/40/14/804084014.db2.gz ROJWTLSMHQODEV-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO Cc1cc(O)c[nH+]c1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212247913 814997460 /nfs/dbraw/zinc/99/74/60/814997460.db2.gz WQSLRNGHWOMNDE-UHFFFAOYSA-N 1 2 265.316 3.394 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1F ZINC001139526993 804201619 /nfs/dbraw/zinc/20/16/19/804201619.db2.gz RKYPSWKZGOVOGC-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](F)C2)cc1F ZINC001139526993 804201624 /nfs/dbraw/zinc/20/16/24/804201624.db2.gz RKYPSWKZGOVOGC-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139726374 804267972 /nfs/dbraw/zinc/26/79/72/804267972.db2.gz LAQCKFOOJISICT-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139726374 804267979 /nfs/dbraw/zinc/26/79/79/804267979.db2.gz LAQCKFOOJISICT-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC001139875754 804308570 /nfs/dbraw/zinc/30/85/70/804308570.db2.gz DFCKXKNWOXSERS-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC001139875754 804308580 /nfs/dbraw/zinc/30/85/80/804308580.db2.gz DFCKXKNWOXSERS-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C[N@H+](CCC#N)Cc1cccc(-c2nccs2)c1 ZINC001140331234 804416142 /nfs/dbraw/zinc/41/61/42/804416142.db2.gz AZOQZBXWIOLETM-UHFFFAOYSA-N 1 2 257.362 3.156 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cccc(-c2nccs2)c1 ZINC001140331234 804416148 /nfs/dbraw/zinc/41/61/48/804416148.db2.gz AZOQZBXWIOLETM-UHFFFAOYSA-N 1 2 257.362 3.156 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140410386 804429964 /nfs/dbraw/zinc/42/99/64/804429964.db2.gz RQESSOOJYVMKIL-UHFFFAOYSA-N 1 2 286.766 3.142 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140410386 804429967 /nfs/dbraw/zinc/42/99/67/804429967.db2.gz RQESSOOJYVMKIL-UHFFFAOYSA-N 1 2 286.766 3.142 20 30 CGEDLO CCCCCCCCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246594900 804434783 /nfs/dbraw/zinc/43/47/83/804434783.db2.gz SHALPCBEBHWAMG-JKSUJKDBSA-N 1 2 265.445 3.313 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CF)c1Cl ZINC001140814010 804527311 /nfs/dbraw/zinc/52/73/11/804527311.db2.gz ABFCOPLJRHLING-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1Cl ZINC001140814010 804527317 /nfs/dbraw/zinc/52/73/17/804527317.db2.gz ABFCOPLJRHLING-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(F)cc(OC)cc1F ZINC001140828409 804530138 /nfs/dbraw/zinc/53/01/38/804530138.db2.gz SFOHAHXXVPGDPN-UHFFFAOYSA-N 1 2 255.308 3.371 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(F)cc(OC)cc1F ZINC001140828409 804530142 /nfs/dbraw/zinc/53/01/42/804530142.db2.gz SFOHAHXXVPGDPN-UHFFFAOYSA-N 1 2 255.308 3.371 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cnccc2C(F)(F)F)CC1 ZINC001140919657 804549391 /nfs/dbraw/zinc/54/93/91/804549391.db2.gz ZQSXAMMOKVQZTN-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cnccc2C(F)(F)F)CC1 ZINC001140919657 804549395 /nfs/dbraw/zinc/54/93/95/804549395.db2.gz ZQSXAMMOKVQZTN-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1Cl ZINC001141232860 804618029 /nfs/dbraw/zinc/61/80/29/804618029.db2.gz LYPJJXKIBWPHIV-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)ccc1Cl ZINC001141232860 804618034 /nfs/dbraw/zinc/61/80/34/804618034.db2.gz LYPJJXKIBWPHIV-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO C[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141895017 804678346 /nfs/dbraw/zinc/67/83/46/804678346.db2.gz YFVCKEZYFNFRSF-JTQLQIEISA-N 1 2 279.181 3.305 20 30 CGEDLO C[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141895017 804678350 /nfs/dbraw/zinc/67/83/50/804678350.db2.gz YFVCKEZYFNFRSF-JTQLQIEISA-N 1 2 279.181 3.305 20 30 CGEDLO CSc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)s1 ZINC001142020179 804689239 /nfs/dbraw/zinc/68/92/39/804689239.db2.gz AIRABZPHJCDYNB-LLVKDONJSA-N 1 2 297.470 3.244 20 30 CGEDLO CSc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)s1 ZINC001142020179 804689243 /nfs/dbraw/zinc/68/92/43/804689243.db2.gz AIRABZPHJCDYNB-LLVKDONJSA-N 1 2 297.470 3.244 20 30 CGEDLO CCOC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143722639 804887130 /nfs/dbraw/zinc/88/71/30/804887130.db2.gz DGJNOOWUNARJHW-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001143731248 804890049 /nfs/dbraw/zinc/89/00/49/804890049.db2.gz PVRVHZWBJFNVTC-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001143731248 804890057 /nfs/dbraw/zinc/89/00/57/804890057.db2.gz PVRVHZWBJFNVTC-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143941775 804911189 /nfs/dbraw/zinc/91/11/89/804911189.db2.gz AUUGUTBEKNMQJT-GFCCVEGCSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(OCC)c2F)C1 ZINC001143941775 804911191 /nfs/dbraw/zinc/91/11/91/804911191.db2.gz AUUGUTBEKNMQJT-GFCCVEGCSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958639 804915843 /nfs/dbraw/zinc/91/58/43/804915843.db2.gz IUDOXIATPBLVOM-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(F)c2F)C1 ZINC001143958639 804915847 /nfs/dbraw/zinc/91/58/47/804915847.db2.gz IUDOXIATPBLVOM-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C[C@]1(F)CC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@H]1F ZINC001249427102 805147401 /nfs/dbraw/zinc/14/74/01/805147401.db2.gz QJPPWXLZNWHYNL-CVEARBPZSA-N 1 2 289.329 3.312 20 30 CGEDLO C[C@]1(F)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@H]1F ZINC001249427102 805147403 /nfs/dbraw/zinc/14/74/03/805147403.db2.gz QJPPWXLZNWHYNL-CVEARBPZSA-N 1 2 289.329 3.312 20 30 CGEDLO C#Cc1cc(Nc2cc3ccccc3cc2OC)cc[nH+]1 ZINC001249551664 805174818 /nfs/dbraw/zinc/17/48/18/805174818.db2.gz MAPADSMRBILUNJ-UHFFFAOYSA-N 1 2 274.323 3.390 20 30 CGEDLO C#Cc1cc(Nc2cc(OCC)ccc2Cl)cc[nH+]1 ZINC001212574440 815074643 /nfs/dbraw/zinc/07/46/43/815074643.db2.gz FWXRKBRWYJHYLS-UHFFFAOYSA-N 1 2 272.735 3.281 20 30 CGEDLO COC(=O)CC1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001256981275 807022485 /nfs/dbraw/zinc/02/24/85/807022485.db2.gz MMMOTWYDTVDAEJ-ZBCRRDGASA-N 1 2 280.412 3.026 20 30 CGEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)nc(C(C)(C)C)[nH+]1 ZINC001166741716 807089354 /nfs/dbraw/zinc/08/93/54/807089354.db2.gz SDSUUTNTXCUXEU-ZDUSSCGKSA-N 1 2 272.396 3.213 20 30 CGEDLO C#Cc1cccnc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212693060 815105803 /nfs/dbraw/zinc/10/58/03/815105803.db2.gz ADGYVJKUKVBUDS-UHFFFAOYSA-N 1 2 274.327 3.051 20 30 CGEDLO Cc1cc[nH+]c2cc(NC(=N)c3nccs3)ccc12 ZINC001168280473 807371769 /nfs/dbraw/zinc/37/17/69/807371769.db2.gz GWEGZWZLXSUQBC-UHFFFAOYSA-N 1 2 268.345 3.037 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NC1(c2cccnn2)CC1 ZINC001168517786 807440543 /nfs/dbraw/zinc/44/05/43/807440543.db2.gz ZDESDGZMLBSGEN-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO N#CCc1cccc(NCCc2cn3ccccc3[nH+]2)c1F ZINC001169003757 807550225 /nfs/dbraw/zinc/55/02/25/807550225.db2.gz DFMAPARRMJULQR-UHFFFAOYSA-N 1 2 294.333 3.194 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001258717597 807567989 /nfs/dbraw/zinc/56/79/89/807567989.db2.gz URXZBQHGLUCXIC-WFASDCNBSA-N 1 2 295.810 3.368 20 30 CGEDLO COc1ccc(Nc2cc[nH+]c(SC)c2)c(C#N)c1 ZINC001212782825 815135713 /nfs/dbraw/zinc/13/57/13/815135713.db2.gz WGSBVTKHZPLVLH-UHFFFAOYSA-N 1 2 271.345 3.427 20 30 CGEDLO C#C[C@](C)(CC)Nc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001169700682 807692201 /nfs/dbraw/zinc/69/22/01/807692201.db2.gz VGFOHQRFHFGVDT-OAHLLOKOSA-N 1 2 257.312 3.225 20 30 CGEDLO COCc1cc[nH+]c(NC2CC(C#N)(c3ccccc3)C2)c1 ZINC001261514934 807754616 /nfs/dbraw/zinc/75/46/16/807754616.db2.gz RQNHQONUIFUMGT-UHFFFAOYSA-N 1 2 293.370 3.264 20 30 CGEDLO Cc1c[nH+]cc(NCc2ccc(C#N)c(F)c2)c1C ZINC001170095988 807757485 /nfs/dbraw/zinc/75/74/85/807757485.db2.gz TXMGBAHTYLAHPZ-UHFFFAOYSA-N 1 2 255.296 3.321 20 30 CGEDLO COc1cccc2c(NCC(C)(C)S)cc[nH+]c12 ZINC001170307161 807825439 /nfs/dbraw/zinc/82/54/39/807825439.db2.gz NUPODSPKQARMNI-UHFFFAOYSA-N 1 2 262.378 3.364 20 30 CGEDLO CC(C)(C#N)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359826 807829359 /nfs/dbraw/zinc/82/93/59/807829359.db2.gz HWODVTIUOFXMKO-UHFFFAOYSA-N 1 2 267.376 3.282 20 30 CGEDLO C=CCCCC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001262635277 807882406 /nfs/dbraw/zinc/88/24/06/807882406.db2.gz KXDGCAGPINNPOU-OAHLLOKOSA-N 1 2 292.810 3.169 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171910435 808152695 /nfs/dbraw/zinc/15/26/95/808152695.db2.gz PAJSWGGSENZSIK-MQBCKMQZSA-N 1 2 294.439 3.415 20 30 CGEDLO CC(C)OCC[C@@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172438380 808314336 /nfs/dbraw/zinc/31/43/36/808314336.db2.gz QTCGAIVNWIFTFF-CQSZACIVSA-N 1 2 252.402 3.396 20 30 CGEDLO CCCCCCCC[C@@H](CC)N1CC[NH2+]C[C@H]1C#N ZINC001172505908 808362112 /nfs/dbraw/zinc/36/21/12/808362112.db2.gz XAZJXRJRGFMMSO-HZPDHXFCSA-N 1 2 265.445 3.313 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172605178 808401207 /nfs/dbraw/zinc/40/12/07/808401207.db2.gz XECJLOUIJUPIDM-AAEUAGOBSA-N 1 2 265.328 3.005 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(CCC)CCC2)C1 ZINC001267962787 808521724 /nfs/dbraw/zinc/52/17/24/808521724.db2.gz USZVIWALLLCDSV-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CCC2)C1 ZINC001267962787 808521732 /nfs/dbraw/zinc/52/17/32/808521732.db2.gz USZVIWALLLCDSV-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(C)CCCCCC2)C1 ZINC001268839234 808632832 /nfs/dbraw/zinc/63/28/32/808632832.db2.gz XQZOBADJQWDTBD-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@](C)(C#N)CC(C)C)C1 ZINC001173634998 808656610 /nfs/dbraw/zinc/65/66/10/808656610.db2.gz XQTSDFLOLRNTEO-IIAWOOMASA-N 1 2 280.412 3.026 20 30 CGEDLO C#Cc1cc(Nc2cccc(N3CCCCC3)c2)cc[nH+]1 ZINC001174301395 808942754 /nfs/dbraw/zinc/94/27/54/808942754.db2.gz XZNQOJJPSIDUTB-UHFFFAOYSA-N 1 2 277.371 3.219 20 30 CGEDLO CC(C)COc1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001213255844 815259563 /nfs/dbraw/zinc/25/95/63/815259563.db2.gz BNJUKOIHKJHYSP-UHFFFAOYSA-N 1 2 299.374 3.361 20 30 CGEDLO COc1cc[nH+]cc1Nc1cccc(C2(C#N)CC2)c1 ZINC001213314048 815263811 /nfs/dbraw/zinc/26/38/11/815263811.db2.gz LSFWLTMXMGYAEO-UHFFFAOYSA-N 1 2 265.316 3.389 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001282484006 809251739 /nfs/dbraw/zinc/25/17/39/809251739.db2.gz ANIFCLLUUWXVPH-AWEZNQCLSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001282484006 809251741 /nfs/dbraw/zinc/25/17/41/809251741.db2.gz ANIFCLLUUWXVPH-AWEZNQCLSA-N 1 2 294.826 3.106 20 30 CGEDLO Cc1cc(C#N)c(Nc2ccc(N(C)C)[nH+]c2)s1 ZINC001175338889 809364605 /nfs/dbraw/zinc/36/46/05/809364605.db2.gz PYLJLOHAQGGBLF-UHFFFAOYSA-N 1 2 258.350 3.133 20 30 CGEDLO Cc1cc(C#N)cc(C)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175344129 809367717 /nfs/dbraw/zinc/36/77/17/809367717.db2.gz WCZUZDKHFFCGJT-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO COc1ccc(C#N)c(Nc2c[nH+]c(C)cc2C)c1 ZINC001213515746 815294864 /nfs/dbraw/zinc/29/48/64/815294864.db2.gz IFSDABLXJSXMLR-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1ccnc(C#N)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712764 809517846 /nfs/dbraw/zinc/51/78/46/809517846.db2.gz QGWKEQWQGKFCCA-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(C)c(F)cc1Br ZINC001180280812 809989361 /nfs/dbraw/zinc/98/93/61/809989361.db2.gz NFTGJLJENZQBAU-UHFFFAOYSA-N 1 2 284.172 3.352 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]CCC(C)(C)C)C(=O)OCC ZINC001183311307 810144319 /nfs/dbraw/zinc/14/43/19/810144319.db2.gz ACHZOICSVGCVAH-NSHDSACASA-N 1 2 261.793 3.087 20 30 CGEDLO Cc1cc(CNc2c(C#N)cccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001186748678 810360296 /nfs/dbraw/zinc/36/02/96/810360296.db2.gz VAUCEHPZYJMLJG-UHFFFAOYSA-N 1 2 282.303 3.090 20 30 CGEDLO CCCCCCCCOC(=O)NCCc1[nH+]ccn1C ZINC001194756421 811125619 /nfs/dbraw/zinc/12/56/19/811125619.db2.gz IMQJIFUWDIDNOS-UHFFFAOYSA-N 1 2 281.400 3.049 20 30 CGEDLO N#C[C@H]1CCC[N@H+](CCOc2cccc3ccccc32)C1 ZINC001197620674 811438508 /nfs/dbraw/zinc/43/85/08/811438508.db2.gz BPHMWAYGTRNASP-OAHLLOKOSA-N 1 2 280.371 3.454 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC001197620674 811438510 /nfs/dbraw/zinc/43/85/10/811438510.db2.gz BPHMWAYGTRNASP-OAHLLOKOSA-N 1 2 280.371 3.454 20 30 CGEDLO CC(C)(C#N)c1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201286130 811806152 /nfs/dbraw/zinc/80/61/52/811806152.db2.gz WUMMBLBTYUIJOC-UHFFFAOYSA-N 1 2 252.321 3.209 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]ccn32)c(F)c1 ZINC001201556037 811903343 /nfs/dbraw/zinc/90/33/43/811903343.db2.gz UEUDGWMVNSOYFF-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C=CCN(Cc1[nH]c(CC)[nH+]c1C)Cc1ccccc1 ZINC001203246618 812280250 /nfs/dbraw/zinc/28/02/50/812280250.db2.gz IWUGQUHLOFYDQK-UHFFFAOYSA-N 1 2 269.392 3.469 20 30 CGEDLO N#Cc1c(Nc2ccn3cc[nH+]c3c2)sc2c1CCC2 ZINC001204951440 812793980 /nfs/dbraw/zinc/79/39/80/812793980.db2.gz RVQXFJZYWQXOFW-UHFFFAOYSA-N 1 2 280.356 3.500 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3cccc(Cl)c3)CCC2S1 ZINC001207421428 813560036 /nfs/dbraw/zinc/56/00/36/813560036.db2.gz HHSPUSUKGQVNOP-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3cccc(Cl)c3)CCC2S1 ZINC001207421428 813560039 /nfs/dbraw/zinc/56/00/39/813560039.db2.gz HHSPUSUKGQVNOP-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3cccc(Cl)c3)CC[C@@H]2S1 ZINC001207421428 813560043 /nfs/dbraw/zinc/56/00/43/813560043.db2.gz HHSPUSUKGQVNOP-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3cccc(Cl)c3)CC[C@@H]2S1 ZINC001207421428 813560046 /nfs/dbraw/zinc/56/00/46/813560046.db2.gz HHSPUSUKGQVNOP-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO C[C@H](C[N@H+]1CC[C@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903666 813667489 /nfs/dbraw/zinc/66/74/89/813667489.db2.gz PPNVLAHCRKJWIN-IUODEOHRSA-N 1 2 273.401 3.064 20 30 CGEDLO C[C@H](C[N@@H+]1CC[C@H]2SC(=O)C=C2C1)c1ccccc1 ZINC001207903666 813667486 /nfs/dbraw/zinc/66/74/86/813667486.db2.gz PPNVLAHCRKJWIN-IUODEOHRSA-N 1 2 273.401 3.064 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161618 813717629 /nfs/dbraw/zinc/71/76/29/813717629.db2.gz OECNOWRKRWWNSX-NHYWBVRUSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@H+]2CCC3SC(=O)C=C3C2)o1 ZINC001208161618 813717635 /nfs/dbraw/zinc/71/76/35/813717635.db2.gz OECNOWRKRWWNSX-NHYWBVRUSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)o1 ZINC001208161618 813717637 /nfs/dbraw/zinc/71/76/37/813717637.db2.gz OECNOWRKRWWNSX-NHYWBVRUSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]3SC(=O)C=C3C2)o1 ZINC001208161618 813717643 /nfs/dbraw/zinc/71/76/43/813717643.db2.gz OECNOWRKRWWNSX-NHYWBVRUSA-N 1 2 291.416 3.356 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1C1=CC(=O)CC(C)(C)C1 ZINC001210151713 814313580 /nfs/dbraw/zinc/31/35/80/814313580.db2.gz OCAMTTVBEFMYHI-UHFFFAOYSA-N 1 2 269.348 3.157 20 30 CGEDLO Cn1c[nH+]c2cc(NC3=CC(=O)CC(C)(C)C3)ccc21 ZINC001210153131 814315901 /nfs/dbraw/zinc/31/59/01/814315901.db2.gz JKSXWTNBZQRGAE-UHFFFAOYSA-N 1 2 269.348 3.258 20 30 CGEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(C2CCCCC2)cc1 ZINC001210197164 814333973 /nfs/dbraw/zinc/33/39/73/814333973.db2.gz YJFJJXSNPCZIHQ-SFHVURJKSA-N 1 2 283.419 3.032 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C#N)cc1C ZINC001210376444 814430691 /nfs/dbraw/zinc/43/06/91/814430691.db2.gz ZLCDQPXQBRSCSX-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO COc1cc(Nc2cccc(CC#N)c2)cc(C)[nH+]1 ZINC001210780427 814625336 /nfs/dbraw/zinc/62/53/36/814625336.db2.gz JWEPJQSNSBITJB-UHFFFAOYSA-N 1 2 253.305 3.208 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211327507 814878766 /nfs/dbraw/zinc/87/87/66/814878766.db2.gz UQBVRMAFUYSFOE-UHFFFAOYSA-N 1 2 284.275 3.004 20 30 CGEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(S)cc1C ZINC001218456533 816222923 /nfs/dbraw/zinc/22/29/23/816222923.db2.gz UPMSQBLFXIRZHU-UKRRQHHQSA-N 1 2 263.406 3.359 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001221575272 816320501 /nfs/dbraw/zinc/32/05/01/816320501.db2.gz CMEKHNNYOFWIBF-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001221575272 816320507 /nfs/dbraw/zinc/32/05/07/816320507.db2.gz CMEKHNNYOFWIBF-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115432 818260176 /nfs/dbraw/zinc/26/01/76/818260176.db2.gz OVFDZZXUTCZZJU-HNNXBMFYSA-N 1 2 278.783 3.068 20 30 CGEDLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115432 818260181 /nfs/dbraw/zinc/26/01/81/818260181.db2.gz OVFDZZXUTCZZJU-HNNXBMFYSA-N 1 2 278.783 3.068 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)CC1CCCCC1 ZINC001232677172 818416885 /nfs/dbraw/zinc/41/68/85/818416885.db2.gz BPOTVEPOGSIKKU-UHFFFAOYSA-N 1 2 258.365 3.276 20 30 CGEDLO C[N@H+](Cc1cc(C#N)ccc1O)CC1CCCCC1 ZINC001232677172 818416888 /nfs/dbraw/zinc/41/68/88/818416888.db2.gz BPOTVEPOGSIKKU-UHFFFAOYSA-N 1 2 258.365 3.276 20 30 CGEDLO CC[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1O ZINC001232678615 818417861 /nfs/dbraw/zinc/41/78/61/818417861.db2.gz KDLZIPGQAQAAME-UHFFFAOYSA-N 1 2 284.334 3.425 20 30 CGEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1O ZINC001232678615 818417863 /nfs/dbraw/zinc/41/78/63/818417863.db2.gz KDLZIPGQAQAAME-UHFFFAOYSA-N 1 2 284.334 3.425 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(O)c(F)c(F)c1 ZINC001232974225 818490768 /nfs/dbraw/zinc/49/07/68/818490768.db2.gz QZYOQNICSYVLKY-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)c(F)c(F)c1 ZINC001232974225 818490774 /nfs/dbraw/zinc/49/07/74/818490774.db2.gz QZYOQNICSYVLKY-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(O)cc(Br)c1 ZINC001232998124 818495921 /nfs/dbraw/zinc/49/59/21/818495921.db2.gz HWCQDFDHRBHZAN-UHFFFAOYSA-N 1 2 297.196 3.280 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(O)cc(Br)c1 ZINC001232998124 818495922 /nfs/dbraw/zinc/49/59/22/818495922.db2.gz HWCQDFDHRBHZAN-UHFFFAOYSA-N 1 2 297.196 3.280 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001233020291 818502289 /nfs/dbraw/zinc/50/22/89/818502289.db2.gz BZICBZDDXDHHRW-GFCCVEGCSA-N 1 2 292.404 3.050 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001233020291 818502295 /nfs/dbraw/zinc/50/22/95/818502295.db2.gz BZICBZDDXDHHRW-GFCCVEGCSA-N 1 2 292.404 3.050 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cc1O)C1CCCCC1 ZINC001233383017 818605155 /nfs/dbraw/zinc/60/51/55/818605155.db2.gz RNAYXUQUBIQTLR-UHFFFAOYSA-N 1 2 258.365 3.418 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cc1O)C1CCCCC1 ZINC001233383017 818605160 /nfs/dbraw/zinc/60/51/60/818605160.db2.gz RNAYXUQUBIQTLR-UHFFFAOYSA-N 1 2 258.365 3.418 20 30 CGEDLO C=CC[N@@H+](C)Cc1cnc(N(C)C(=O)OC(C)(C)C)s1 ZINC001234381394 818846202 /nfs/dbraw/zinc/84/62/02/818846202.db2.gz IXLPEDSNYGBUGA-UHFFFAOYSA-N 1 2 297.424 3.132 20 30 CGEDLO C=CC[N@H+](C)Cc1cnc(N(C)C(=O)OC(C)(C)C)s1 ZINC001234381394 818846208 /nfs/dbraw/zinc/84/62/08/818846208.db2.gz IXLPEDSNYGBUGA-UHFFFAOYSA-N 1 2 297.424 3.132 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@H+](CC)CCC#N)cc1 ZINC001234892107 818946140 /nfs/dbraw/zinc/94/61/40/818946140.db2.gz IEEKEIZXNIXZAX-UHFFFAOYSA-N 1 2 290.407 3.494 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC001234892107 818946141 /nfs/dbraw/zinc/94/61/41/818946141.db2.gz IEEKEIZXNIXZAX-UHFFFAOYSA-N 1 2 290.407 3.494 20 30 CGEDLO COc1nccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1Cl ZINC001235840539 819182515 /nfs/dbraw/zinc/18/25/15/819182515.db2.gz WIVBTRYOSOIQOC-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1Cl ZINC001235840539 819182518 /nfs/dbraw/zinc/18/25/18/819182518.db2.gz WIVBTRYOSOIQOC-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(OC)c(F)cc1F ZINC001236835752 819615515 /nfs/dbraw/zinc/61/55/15/819615515.db2.gz URMKDTMXTMVHEV-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546524 819777063 /nfs/dbraw/zinc/77/70/63/819777063.db2.gz LRYYGMDCEMSVFO-AWEZNQCLSA-N 1 2 263.344 3.094 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237546524 819777065 /nfs/dbraw/zinc/77/70/65/819777065.db2.gz LRYYGMDCEMSVFO-AWEZNQCLSA-N 1 2 263.344 3.094 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(Br)c(Cl)c1F ZINC001237892110 819871422 /nfs/dbraw/zinc/87/14/22/819871422.db2.gz GDHDSIVWRHLKSU-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(Br)c(Cl)c1F ZINC001237892110 819871413 /nfs/dbraw/zinc/87/14/13/819871413.db2.gz GDHDSIVWRHLKSU-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001239484285 820335768 /nfs/dbraw/zinc/33/57/68/820335768.db2.gz AILIGESGMLITCF-XDHOZWIPSA-N 1 2 279.343 3.455 20 30 CGEDLO N#CCc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243656953 823476492 /nfs/dbraw/zinc/47/64/92/823476492.db2.gz PDDHEFKAYCWPHO-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO CCOC(=O)c1ccc(C#N)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219550 820894111 /nfs/dbraw/zinc/89/41/11/820894111.db2.gz MTQYVCNYRWTGNX-UHFFFAOYSA-N 1 2 291.310 3.050 20 30 CGEDLO C/C(=N\O)c1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240220871 820896903 /nfs/dbraw/zinc/89/69/03/820896903.db2.gz MHPXIBUJAUGQLL-GZTJUZNOSA-N 1 2 251.289 3.200 20 30 CGEDLO N#CCc1ccc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240511940 821107001 /nfs/dbraw/zinc/10/70/01/821107001.db2.gz MXPZXRDDGGYKOZ-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2ccnc(C#N)c2)cc1 ZINC001241195898 821630787 /nfs/dbraw/zinc/63/07/87/821630787.db2.gz MBOPMLTZWQTWOR-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)oc1C ZINC001342254482 936463543 /nfs/dbraw/zinc/46/35/43/936463543.db2.gz JXXKGPKWBAVERW-BQYQJAHWSA-N 1 2 270.332 3.254 20 30 CGEDLO CCn1c[nH+]cc1COC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001347971544 936904326 /nfs/dbraw/zinc/90/43/26/936904326.db2.gz JFXAUGZIGABTSF-UHFFFAOYSA-N 1 2 297.358 3.061 20 30 CGEDLO COc1ccccc1C1([NH2+]Cc2ccncc2C#N)CCC1 ZINC001349098165 936943158 /nfs/dbraw/zinc/94/31/58/936943158.db2.gz GNLDDDQNLUHAOK-UHFFFAOYSA-N 1 2 293.370 3.131 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)/C=C(/C)CC)CC2 ZINC001482241224 927183822 /nfs/dbraw/zinc/18/38/22/927183822.db2.gz KFZOLAQIRIXDGW-LCYFTJDESA-N 1 2 296.842 3.020 20 30 CGEDLO C#Cc1ccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001474575490 937205878 /nfs/dbraw/zinc/20/58/78/937205878.db2.gz KGOYEGNVHTUUHA-AWEZNQCLSA-N 1 2 299.414 3.363 20 30 CGEDLO C#Cc1ccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001474575490 937205880 /nfs/dbraw/zinc/20/58/80/937205880.db2.gz KGOYEGNVHTUUHA-AWEZNQCLSA-N 1 2 299.414 3.363 20 30 CGEDLO C#Cc1ccc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001474575491 937206018 /nfs/dbraw/zinc/20/60/18/937206018.db2.gz KGOYEGNVHTUUHA-CQSZACIVSA-N 1 2 299.414 3.363 20 30 CGEDLO C#Cc1ccc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)cc1 ZINC001474575491 937206020 /nfs/dbraw/zinc/20/60/20/937206020.db2.gz KGOYEGNVHTUUHA-CQSZACIVSA-N 1 2 299.414 3.363 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@H]1C#N)CC2 ZINC001172830705 928225121 /nfs/dbraw/zinc/22/51/21/928225121.db2.gz JSBBNMOVRNLUJQ-SJORKVTESA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@H]1C#N)CC2 ZINC001172830705 928225132 /nfs/dbraw/zinc/22/51/32/928225132.db2.gz JSBBNMOVRNLUJQ-SJORKVTESA-N 1 2 254.377 3.230 20 30 CGEDLO C=CCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457710967 937444788 /nfs/dbraw/zinc/44/47/88/937444788.db2.gz OCRORFCWMQDJEN-ZDUSSCGKSA-N 1 2 269.348 3.016 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001460913823 937552230 /nfs/dbraw/zinc/55/22/30/937552230.db2.gz JDTAMLQAZUBSJK-AWEZNQCLSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001460913823 937552233 /nfs/dbraw/zinc/55/22/33/937552233.db2.gz JDTAMLQAZUBSJK-AWEZNQCLSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC001229954627 932509413 /nfs/dbraw/zinc/50/94/13/932509413.db2.gz RYVXATYTYKDWML-KRWDZBQOSA-N 1 2 275.311 3.021 20 30 CGEDLO CCC1=C(Oc2ccc(-c3[nH]cc[nH+]3)cc2)C(=O)[C@@H](C)O1 ZINC001231080834 932674396 /nfs/dbraw/zinc/67/43/96/932674396.db2.gz IHZWCNPRHAFSOB-SNVBAGLBSA-N 1 2 284.315 3.065 20 30 CGEDLO Cc1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cc1C#N ZINC001307205045 932928460 /nfs/dbraw/zinc/92/84/60/932928460.db2.gz BPXBVIGZXJFXAY-UHFFFAOYSA-N 1 2 292.386 3.456 20 30 CGEDLO C=CCCC(C)(C)[NH2+]Cc1ncc(Br)cc1O ZINC001462454937 937642396 /nfs/dbraw/zinc/64/23/96/937642396.db2.gz XFYBDNLQPXESTJ-UHFFFAOYSA-N 1 2 299.212 3.384 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001339280612 932943203 /nfs/dbraw/zinc/94/32/03/932943203.db2.gz SMXGGWMZSAWISL-HOTGVXAUSA-N 1 2 289.423 3.428 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)CC2CCCCC2)c1=S ZINC001317818006 933654350 /nfs/dbraw/zinc/65/43/50/933654350.db2.gz FGZWPWPQYXYBOW-UHFFFAOYSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)CC2CCCCC2)c1=S ZINC001317818006 933654358 /nfs/dbraw/zinc/65/43/58/933654358.db2.gz FGZWPWPQYXYBOW-UHFFFAOYSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OCC ZINC001321965926 934228211 /nfs/dbraw/zinc/22/82/11/934228211.db2.gz GFHGGRKSVUEYRL-JKSUJKDBSA-N 1 2 275.392 3.105 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc2c(c1)COC2 ZINC001322818267 934337532 /nfs/dbraw/zinc/33/75/32/934337532.db2.gz CNTQSKIZONBACW-FPLPWBNLSA-N 1 2 294.354 3.074 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC001324128303 934462319 /nfs/dbraw/zinc/46/23/19/934462319.db2.gz MFPWVDAUTADBPW-UHFFFAOYSA-N 1 2 290.710 3.276 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)OCC ZINC001324625387 934534285 /nfs/dbraw/zinc/53/42/85/934534285.db2.gz NEWCPOPTTLQKMM-YCPHGPKFSA-N 1 2 275.392 3.276 20 30 CGEDLO N#Cc1ccc(CNc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001472699090 937780955 /nfs/dbraw/zinc/78/09/55/937780955.db2.gz MWUZGYYQVDBDTA-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccc(C)cc1)C(=O)OCC ZINC001326380541 934975710 /nfs/dbraw/zinc/97/57/10/934975710.db2.gz IBZSJXHWYQGRJO-RDJZCZTQSA-N 1 2 289.419 3.414 20 30 CGEDLO Cc1noc([C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C(C)C)n1 ZINC001473906874 937829021 /nfs/dbraw/zinc/82/90/21/937829021.db2.gz UWHHTZLBPROBMC-INIZCTEOSA-N 1 2 298.390 3.353 20 30 CGEDLO Cc1cc(NCc2ccc(C#N)c(C)c2)c[nH+]c1C ZINC001474248245 937846398 /nfs/dbraw/zinc/84/63/98/937846398.db2.gz PLLDLTQOYHHZRF-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001474528114 937864931 /nfs/dbraw/zinc/86/49/31/937864931.db2.gz HSWBFKGITDRXQN-RDJZCZTQSA-N 1 2 289.419 3.414 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001476535464 937888728 /nfs/dbraw/zinc/88/87/28/937888728.db2.gz KYVBYEKJIALDPX-UHFFFAOYSA-N 1 2 286.379 3.448 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001494893463 937957100 /nfs/dbraw/zinc/95/71/00/937957100.db2.gz YFYHTEHGWRRSGO-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001494893463 937957101 /nfs/dbraw/zinc/95/71/01/937957101.db2.gz YFYHTEHGWRRSGO-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCC(C)C)C1 ZINC001506657152 937991322 /nfs/dbraw/zinc/99/13/22/937991322.db2.gz WSISKDDSLIGEOO-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CC1(CC(=O)NCc2c[nH+]c(CC)[nH]2)CCCCC1 ZINC001558497882 938215789 /nfs/dbraw/zinc/21/57/89/938215789.db2.gz GRMXLTYNFWTHQE-UHFFFAOYSA-N 1 2 275.396 3.115 20 30 CGEDLO C=CC1(CC(=O)NCc2c[nH]c(CC)[nH+]2)CCCCC1 ZINC001558497882 938215790 /nfs/dbraw/zinc/21/57/90/938215790.db2.gz GRMXLTYNFWTHQE-UHFFFAOYSA-N 1 2 275.396 3.115 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)cc(Br)c1 ZINC001559566709 938229728 /nfs/dbraw/zinc/22/97/28/938229728.db2.gz LUPJSJBPZJTYBO-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(F)cc(Br)c1 ZINC001559566709 938229729 /nfs/dbraw/zinc/22/97/29/938229729.db2.gz LUPJSJBPZJTYBO-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)s1 ZINC001560209672 938247290 /nfs/dbraw/zinc/24/72/90/938247290.db2.gz USAKOHBLTZMQEZ-SNVBAGLBSA-N 1 2 284.222 3.498 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)s1 ZINC001560209672 938247291 /nfs/dbraw/zinc/24/72/91/938247291.db2.gz USAKOHBLTZMQEZ-SNVBAGLBSA-N 1 2 284.222 3.498 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2cnccc2c1 ZINC000590050743 346824358 /nfs/dbraw/zinc/82/43/58/346824358.db2.gz YSNGWWAQNBEXRS-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2cnccc2c1 ZINC000590050743 346824359 /nfs/dbraw/zinc/82/43/59/346824359.db2.gz YSNGWWAQNBEXRS-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc2cnccc2c1)C(=O)OCC ZINC000590661505 346860835 /nfs/dbraw/zinc/86/08/35/346860835.db2.gz DNHBQGJHWOPJQR-QGZVFWFLSA-N 1 2 298.386 3.222 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(Br)c1Cl ZINC000591259217 346912224 /nfs/dbraw/zinc/91/22/24/346912224.db2.gz MFBLUYCGYABTSM-QMMMGPOBSA-N 1 2 287.588 3.494 20 30 CGEDLO CCC(CC)c1cc(C[NH2+]C[C@H](C#N)CCC#N)on1 ZINC000591745339 346934667 /nfs/dbraw/zinc/93/46/67/346934667.db2.gz SXQKPUJMJGPAQC-LBPRGKRZSA-N 1 2 274.368 3.111 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000592061121 346958400 /nfs/dbraw/zinc/95/84/00/346958400.db2.gz YCKNAEKASRPEEL-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cnccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000592061121 346958404 /nfs/dbraw/zinc/95/84/04/346958404.db2.gz YCKNAEKASRPEEL-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+](C)Cc2ccncc2C#N)c1 ZINC000592087069 346962299 /nfs/dbraw/zinc/96/22/99/346962299.db2.gz MBITZEIYMKOKLH-UHFFFAOYSA-N 1 2 295.386 3.372 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccncc2C#N)c1 ZINC000592087069 346962301 /nfs/dbraw/zinc/96/23/01/346962301.db2.gz MBITZEIYMKOKLH-UHFFFAOYSA-N 1 2 295.386 3.372 20 30 CGEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccncc1C#N ZINC000592066202 346959499 /nfs/dbraw/zinc/95/94/99/346959499.db2.gz MWLWASLUBBHDGV-UHFFFAOYSA-N 1 2 290.370 3.236 20 30 CGEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccncc1C#N ZINC000592066202 346959501 /nfs/dbraw/zinc/95/95/01/346959501.db2.gz MWLWASLUBBHDGV-UHFFFAOYSA-N 1 2 290.370 3.236 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000592124505 346965207 /nfs/dbraw/zinc/96/52/07/346965207.db2.gz FVCQLXWYZQVKHW-LLVKDONJSA-N 1 2 283.297 3.118 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000592124505 346965208 /nfs/dbraw/zinc/96/52/08/346965208.db2.gz FVCQLXWYZQVKHW-LLVKDONJSA-N 1 2 283.297 3.118 20 30 CGEDLO C=CC[N@@H+](Cc1occc1C(=O)OC)Cc1ccccc1 ZINC000045796843 345030475 /nfs/dbraw/zinc/03/04/75/345030475.db2.gz GKSOARSELJDKGQ-UHFFFAOYSA-N 1 2 285.343 3.254 20 30 CGEDLO C=CC[N@H+](Cc1occc1C(=O)OC)Cc1ccccc1 ZINC000045796843 345030478 /nfs/dbraw/zinc/03/04/78/345030478.db2.gz GKSOARSELJDKGQ-UHFFFAOYSA-N 1 2 285.343 3.254 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CCC)no1)Cc1ccccc1 ZINC000045840928 345030843 /nfs/dbraw/zinc/03/08/43/345030843.db2.gz OYCDQZXYYVHHIE-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=CC[N@H+](Cc1nc(CCC)no1)Cc1ccccc1 ZINC000045840928 345030845 /nfs/dbraw/zinc/03/08/45/345030845.db2.gz OYCDQZXYYVHHIE-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052073668 345097275 /nfs/dbraw/zinc/09/72/75/345097275.db2.gz DMXDWKSAWLJKGT-AWEZNQCLSA-N 1 2 292.398 3.243 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052073668 345097276 /nfs/dbraw/zinc/09/72/76/345097276.db2.gz DMXDWKSAWLJKGT-AWEZNQCLSA-N 1 2 292.398 3.243 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052073784 345097363 /nfs/dbraw/zinc/09/73/63/345097363.db2.gz PSTGDSQKPMDCNR-CQSZACIVSA-N 1 2 290.382 3.019 20 30 CGEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052073784 345097366 /nfs/dbraw/zinc/09/73/66/345097366.db2.gz PSTGDSQKPMDCNR-CQSZACIVSA-N 1 2 290.382 3.019 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000054179699 345130348 /nfs/dbraw/zinc/13/03/48/345130348.db2.gz DQKRTJSHHNBDME-LLVKDONJSA-N 1 2 258.296 3.335 20 30 CGEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000057780313 345187469 /nfs/dbraw/zinc/18/74/69/345187469.db2.gz PXMOIIOQXSTTBO-UHFFFAOYSA-N 1 2 277.327 3.167 20 30 CGEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Cl ZINC000068765957 345362143 /nfs/dbraw/zinc/36/21/43/345362143.db2.gz KLEPNAPOLGGSKO-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Cl ZINC000068765957 345362148 /nfs/dbraw/zinc/36/21/48/345362148.db2.gz KLEPNAPOLGGSKO-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO CCN(CCC#N)Cc1cccc(C[N@H+](CC)CCC#N)c1 ZINC000081017991 345695842 /nfs/dbraw/zinc/69/58/42/345695842.db2.gz XAELXVSYNDVBMQ-UHFFFAOYSA-N 1 2 298.434 3.158 20 30 CGEDLO CCN(CCC#N)Cc1cccc(C[N@@H+](CC)CCC#N)c1 ZINC000081017991 345695845 /nfs/dbraw/zinc/69/58/45/345695845.db2.gz XAELXVSYNDVBMQ-UHFFFAOYSA-N 1 2 298.434 3.158 20 30 CGEDLO N#CC[N@H+](CCOC1CCCCCC1)C1CCCC1 ZINC000119038116 345991924 /nfs/dbraw/zinc/99/19/24/345991924.db2.gz HXHLKUKFPLZHND-UHFFFAOYSA-N 1 2 264.413 3.494 20 30 CGEDLO N#CC[N@@H+](CCOC1CCCCCC1)C1CCCC1 ZINC000119038116 345991927 /nfs/dbraw/zinc/99/19/27/345991927.db2.gz HXHLKUKFPLZHND-UHFFFAOYSA-N 1 2 264.413 3.494 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000125960507 346021002 /nfs/dbraw/zinc/02/10/02/346021002.db2.gz SFPRIHKCLMDUEZ-HOCLYGCPSA-N 1 2 275.392 3.105 20 30 CGEDLO N#CC1(C[NH2+]Cc2ncccc2C(F)(F)F)CCCC1 ZINC000593653029 347099463 /nfs/dbraw/zinc/09/94/63/347099463.db2.gz XTNXIADYAFUODY-UHFFFAOYSA-N 1 2 283.297 3.274 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000397633503 346583639 /nfs/dbraw/zinc/58/36/39/346583639.db2.gz WFZODHWRUSKHNP-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000397633503 346583642 /nfs/dbraw/zinc/58/36/42/346583642.db2.gz WFZODHWRUSKHNP-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO C#C[C@H](NCc1c[nH+]cn1CC)c1ccc(Cl)cc1F ZINC000491622920 346629363 /nfs/dbraw/zinc/62/93/63/346629363.db2.gz HHSRNUBVKBXTOG-HNNXBMFYSA-N 1 2 291.757 3.160 20 30 CGEDLO C=CC[NH+]1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000589256987 346791438 /nfs/dbraw/zinc/79/14/38/346791438.db2.gz DFEDLATYGKNECO-CYBMUJFWSA-N 1 2 287.432 3.161 20 30 CGEDLO C=CCN1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000589256987 346791439 /nfs/dbraw/zinc/79/14/39/346791439.db2.gz DFEDLATYGKNECO-CYBMUJFWSA-N 1 2 287.432 3.161 20 30 CGEDLO N#CCCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000594535416 347190479 /nfs/dbraw/zinc/19/04/79/347190479.db2.gz CIXBTUNRCRSXSJ-UHFFFAOYSA-N 1 2 293.330 3.159 20 30 CGEDLO N#Cc1cccc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000594741996 347216025 /nfs/dbraw/zinc/21/60/25/347216025.db2.gz IETWCJWVPCZOCZ-UHFFFAOYSA-N 1 2 263.344 3.444 20 30 CGEDLO N#C[C@H]1CC[C@@H]([NH2+]CC(F)(F)c2cccc(F)c2)C1 ZINC000595057753 347272475 /nfs/dbraw/zinc/27/24/75/347272475.db2.gz DSGWTJOOJKMCHI-GXFFZTMASA-N 1 2 268.282 3.199 20 30 CGEDLO Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595615857 347327769 /nfs/dbraw/zinc/32/77/69/347327769.db2.gz UHPZLRWLMHHCCQ-CQSZACIVSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595615857 347327771 /nfs/dbraw/zinc/32/77/71/347327771.db2.gz UHPZLRWLMHHCCQ-CQSZACIVSA-N 1 2 296.374 3.171 20 30 CGEDLO N#Cc1sccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000595629629 347330273 /nfs/dbraw/zinc/33/02/73/347330273.db2.gz HHJMKMBJHMSNKB-UHFFFAOYSA-N 1 2 289.429 3.003 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCSc1cccc(OC)c1 ZINC000595501544 347312125 /nfs/dbraw/zinc/31/21/25/347312125.db2.gz MFADFPDKKJQEEG-UHFFFAOYSA-N 1 2 276.405 3.189 20 30 CGEDLO C=CC[N@H+](CCC#N)CCSc1cccc(OC)c1 ZINC000595501544 347312127 /nfs/dbraw/zinc/31/21/27/347312127.db2.gz MFADFPDKKJQEEG-UHFFFAOYSA-N 1 2 276.405 3.189 20 30 CGEDLO Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])c(C#N)c2)[nH+]c1 ZINC000596260263 347406126 /nfs/dbraw/zinc/40/61/26/347406126.db2.gz DKBYPVXHIVUCSZ-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2Br)C1 ZINC000595833110 347362503 /nfs/dbraw/zinc/36/25/03/347362503.db2.gz GAVFWOMBILSCIE-CYBMUJFWSA-N 1 2 279.181 3.185 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2Br)C1 ZINC000595833110 347362505 /nfs/dbraw/zinc/36/25/05/347362505.db2.gz GAVFWOMBILSCIE-CYBMUJFWSA-N 1 2 279.181 3.185 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595835454 347363461 /nfs/dbraw/zinc/36/34/61/347363461.db2.gz QCJNTMRNBHWVRI-QGZVFWFLSA-N 1 2 281.359 3.386 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595835454 347363466 /nfs/dbraw/zinc/36/34/66/347363466.db2.gz QCJNTMRNBHWVRI-QGZVFWFLSA-N 1 2 281.359 3.386 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887343 347369765 /nfs/dbraw/zinc/36/97/65/347369765.db2.gz RQOPXBDGIVBWSU-RISCZKNCSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887343 347369767 /nfs/dbraw/zinc/36/97/67/347369767.db2.gz RQOPXBDGIVBWSU-RISCZKNCSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595887732 347370627 /nfs/dbraw/zinc/37/06/27/347370627.db2.gz BMOUNLHDOAOBJO-SMDDNHRTSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595887732 347370628 /nfs/dbraw/zinc/37/06/28/347370628.db2.gz BMOUNLHDOAOBJO-SMDDNHRTSA-N 1 2 298.308 3.100 20 30 CGEDLO N#Cc1nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)sc1Cl ZINC000596154435 347391070 /nfs/dbraw/zinc/39/10/70/347391070.db2.gz MFZASFOZFDSDQL-VIFPVBQESA-N 1 2 293.783 3.123 20 30 CGEDLO Cc1ccc(C2CCN(c3nc(C#N)ccc3C)CC2)c[nH+]1 ZINC000596189265 347396453 /nfs/dbraw/zinc/39/64/53/347396453.db2.gz FYINBOKNIPPIJO-UHFFFAOYSA-N 1 2 292.386 3.349 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C2CC2)cnn1C ZINC000596997146 347526484 /nfs/dbraw/zinc/52/64/84/347526484.db2.gz ZHPJQHCGXKVSPT-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C2CC2)cnn1C ZINC000596997146 347526487 /nfs/dbraw/zinc/52/64/87/347526487.db2.gz ZHPJQHCGXKVSPT-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CC(C)CCn1cccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597228927 347557616 /nfs/dbraw/zinc/55/76/16/347557616.db2.gz IQEYESOOBSAWEU-MRXNPFEDSA-N 1 2 259.397 3.270 20 30 CGEDLO CC(C)CCn1cccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597228927 347557618 /nfs/dbraw/zinc/55/76/18/347557618.db2.gz IQEYESOOBSAWEU-MRXNPFEDSA-N 1 2 259.397 3.270 20 30 CGEDLO C[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232293 347559620 /nfs/dbraw/zinc/55/96/20/347559620.db2.gz SIBFUYNXOVXJGT-NHYWBVRUSA-N 1 2 264.319 3.304 20 30 CGEDLO C[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232293 347559624 /nfs/dbraw/zinc/55/96/24/347559624.db2.gz SIBFUYNXOVXJGT-NHYWBVRUSA-N 1 2 264.319 3.304 20 30 CGEDLO CCCOc1ccc(C[NH+]2CC(CC#N)C2)cc1OCC ZINC000597192830 347547503 /nfs/dbraw/zinc/54/75/03/347547503.db2.gz OFPMTJHULVZNFP-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000597192717 347547770 /nfs/dbraw/zinc/54/77/70/347547770.db2.gz SXWGNZMKYFSSDB-XEZPLFJOSA-N 1 2 291.391 3.100 20 30 CGEDLO CC(C)(CC#N)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599089286 347716325 /nfs/dbraw/zinc/71/63/25/347716325.db2.gz ZRDUXTPRBLQVAC-UHFFFAOYSA-N 1 2 284.319 3.495 20 30 CGEDLO Cc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1C#N ZINC000599369597 347740319 /nfs/dbraw/zinc/74/03/19/347740319.db2.gz FYGWZYYPEPGIDK-GFCCVEGCSA-N 1 2 298.390 3.398 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000600207211 347793570 /nfs/dbraw/zinc/79/35/70/347793570.db2.gz KSVVDOTVTQKXPO-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000600207211 347793573 /nfs/dbraw/zinc/79/35/73/347793573.db2.gz KSVVDOTVTQKXPO-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO N#Cc1c(F)cccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000600849373 347841124 /nfs/dbraw/zinc/84/11/24/347841124.db2.gz OXUNTCQMZVTAMD-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#CC[C@@H]1CCCN(c2cc3ccccc3c[nH+]2)C1 ZINC000601191839 347879139 /nfs/dbraw/zinc/87/91/39/347879139.db2.gz QTRPFMHXFLFZEP-ZDUSSCGKSA-N 1 2 251.333 3.365 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000602010942 347932590 /nfs/dbraw/zinc/93/25/90/347932590.db2.gz GARDYWCSAGDTIU-UHFFFAOYSA-N 1 2 287.363 3.321 20 30 CGEDLO N#CC1CCC(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000602427345 347956495 /nfs/dbraw/zinc/95/64/95/347956495.db2.gz FJQJLRKIPYDGKZ-UHFFFAOYSA-N 1 2 266.348 3.367 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc2ccccc2n1C ZINC000602446930 347958812 /nfs/dbraw/zinc/95/88/12/347958812.db2.gz GQXSDIKSSJFGIM-UHFFFAOYSA-N 1 2 255.365 3.302 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc2ccccc2n1C ZINC000602446930 347958815 /nfs/dbraw/zinc/95/88/15/347958815.db2.gz GQXSDIKSSJFGIM-UHFFFAOYSA-N 1 2 255.365 3.302 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602487136 347967765 /nfs/dbraw/zinc/96/77/65/347967765.db2.gz UJTGLWRUMOODHC-LLVKDONJSA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602487136 347967766 /nfs/dbraw/zinc/96/77/66/347967766.db2.gz UJTGLWRUMOODHC-LLVKDONJSA-N 1 2 299.324 3.351 20 30 CGEDLO N#CC1CCC(Nc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000602520643 347974873 /nfs/dbraw/zinc/97/48/73/347974873.db2.gz KMCNEUFCRWPTQR-UHFFFAOYSA-N 1 2 270.380 3.176 20 30 CGEDLO CCSCc1cc[nH+]c(NCc2cccc(C#N)n2)c1 ZINC000602575548 347986579 /nfs/dbraw/zinc/98/65/79/347986579.db2.gz DWMYWVQVYIXDBJ-UHFFFAOYSA-N 1 2 284.388 3.213 20 30 CGEDLO Cc1nc2ccccc2nc1C[NH2+]CC1(C#N)CCCC1 ZINC000602697586 348011330 /nfs/dbraw/zinc/01/13/30/348011330.db2.gz BVLMVNYLQKBOBO-UHFFFAOYSA-N 1 2 280.375 3.112 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3c(F)cc(F)cc3C2)CC1 ZINC000602788552 348029252 /nfs/dbraw/zinc/02/92/52/348029252.db2.gz SPWWRWRDJFAXDV-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3c(F)cc(F)cc3C2)CC1 ZINC000602788552 348029255 /nfs/dbraw/zinc/02/92/55/348029255.db2.gz SPWWRWRDJFAXDV-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO COCc1cc(C#N)ccc1NCCCNc1cccc[nH+]1 ZINC000603278456 348067849 /nfs/dbraw/zinc/06/78/49/348067849.db2.gz YQGMEOUBUFKLRV-UHFFFAOYSA-N 1 2 296.374 3.014 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000602869682 348039210 /nfs/dbraw/zinc/03/92/10/348039210.db2.gz HFRNLORACQLPLH-AWEZNQCLSA-N 1 2 281.359 3.052 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973718 348047817 /nfs/dbraw/zinc/04/78/17/348047817.db2.gz DORBKFKSKCQDQE-BXUZGUMPSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602973718 348047818 /nfs/dbraw/zinc/04/78/18/348047818.db2.gz DORBKFKSKCQDQE-BXUZGUMPSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[C@@H]1C#N ZINC000602981522 348051413 /nfs/dbraw/zinc/05/14/13/348051413.db2.gz FNDDYOKLWVIFCD-NVXWUHKLSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1cnc2ccccc2c1)[C@@H]1CCC[C@@H]1C#N ZINC000602981522 348051416 /nfs/dbraw/zinc/05/14/16/348051416.db2.gz FNDDYOKLWVIFCD-NVXWUHKLSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000610410466 348381714 /nfs/dbraw/zinc/38/17/14/348381714.db2.gz UELYGLBBEDWQTH-JTNHKYCSSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000610410466 348381716 /nfs/dbraw/zinc/38/17/16/348381716.db2.gz UELYGLBBEDWQTH-JTNHKYCSSA-N 1 2 298.308 3.271 20 30 CGEDLO Cc1ccccc1-c1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000611553536 348460514 /nfs/dbraw/zinc/46/05/14/348460514.db2.gz OBKCAROMFGOPRP-UHFFFAOYSA-N 1 2 296.374 3.171 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000612167099 348498893 /nfs/dbraw/zinc/49/88/93/348498893.db2.gz UQKLTWSBJKELBZ-HNNXBMFYSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000612167099 348498897 /nfs/dbraw/zinc/49/88/97/348498897.db2.gz UQKLTWSBJKELBZ-HNNXBMFYSA-N 1 2 278.783 3.344 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612164978 348499334 /nfs/dbraw/zinc/49/93/34/348499334.db2.gz KCJCWCHBUPQXMY-CRAIPNDOSA-N 1 2 299.418 3.054 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612164978 348499336 /nfs/dbraw/zinc/49/93/36/348499336.db2.gz KCJCWCHBUPQXMY-CRAIPNDOSA-N 1 2 299.418 3.054 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612582028 348529402 /nfs/dbraw/zinc/52/94/02/348529402.db2.gz LXJHPHQIDCJNTC-HNNXBMFYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612582028 348529407 /nfs/dbraw/zinc/52/94/07/348529407.db2.gz LXJHPHQIDCJNTC-HNNXBMFYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1[nH]c2ccc(COc3ccccc3C#N)cc2[nH+]1 ZINC000358860255 233205651 /nfs/dbraw/zinc/20/56/51/233205651.db2.gz KVVZSEFWGXVVOD-UHFFFAOYSA-N 1 2 263.300 3.322 20 30 CGEDLO Cc1[nH]c2cc(COc3ccccc3C#N)ccc2[nH+]1 ZINC000358860255 233205654 /nfs/dbraw/zinc/20/56/54/233205654.db2.gz KVVZSEFWGXVVOD-UHFFFAOYSA-N 1 2 263.300 3.322 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000619534982 349257830 /nfs/dbraw/zinc/25/78/30/349257830.db2.gz HYRWETKUNIULCN-UHFFFAOYSA-N 1 2 293.370 3.054 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000619704260 349277016 /nfs/dbraw/zinc/27/70/16/349277016.db2.gz ZZOQBARPSFTBDC-HOTGVXAUSA-N 1 2 289.350 3.079 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755905 349282590 /nfs/dbraw/zinc/28/25/90/349282590.db2.gz YEJIYSSIRYSLNQ-SECBINFHSA-N 1 2 274.755 3.094 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000626393868 350301961 /nfs/dbraw/zinc/30/19/61/350301961.db2.gz JWVUPKBELHVBDU-UHFFFAOYSA-N 1 2 272.352 3.058 20 30 CGEDLO C=C(CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC000635929038 351702837 /nfs/dbraw/zinc/70/28/37/351702837.db2.gz DKKFWDFILAPTDP-KRWDZBQOSA-N 1 2 297.402 3.300 20 30 CGEDLO C=CCCC(C)(C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636230752 351730704 /nfs/dbraw/zinc/73/07/04/351730704.db2.gz MZRRNDCQNHJSLE-CQSZACIVSA-N 1 2 277.412 3.331 20 30 CGEDLO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1nccs1 ZINC000122128962 187016426 /nfs/dbraw/zinc/01/64/26/187016426.db2.gz RYFHASQAYXIEMC-UHFFFAOYSA-N 1 2 287.388 3.048 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(C#N)cc1 ZINC000271686919 191277297 /nfs/dbraw/zinc/27/72/97/191277297.db2.gz QOHZZQSAJUMNII-LLVKDONJSA-N 1 2 284.363 3.090 20 30 CGEDLO C[C@@]12CC[N@H+](Cc3ccc(F)cc3C#N)C[C@@H]1C2(F)F ZINC000336415727 213274438 /nfs/dbraw/zinc/27/44/38/213274438.db2.gz YUYYXKLJOJSZHH-UONOGXRCSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@@]12CC[N@@H+](Cc3ccc(F)cc3C#N)C[C@@H]1C2(F)F ZINC000336415727 213274440 /nfs/dbraw/zinc/27/44/40/213274440.db2.gz YUYYXKLJOJSZHH-UONOGXRCSA-N 1 2 280.293 3.174 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000120923530 283142502 /nfs/dbraw/zinc/14/25/02/283142502.db2.gz PSEBVSFFXGYHHF-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000120923530 283142503 /nfs/dbraw/zinc/14/25/03/283142503.db2.gz PSEBVSFFXGYHHF-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1cc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425239461 236222031 /nfs/dbraw/zinc/22/20/31/236222031.db2.gz WYSIMQHRJLPKJR-WCQYABFASA-N 1 2 297.324 3.464 20 30 CGEDLO Cn1cc[nH+]c1[C@H]1N(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000294677445 199129325 /nfs/dbraw/zinc/12/93/25/199129325.db2.gz BFUDPBIYYAWVRT-OAHLLOKOSA-N 1 2 298.365 3.014 20 30 CGEDLO CCc1nc(N(Cc2ccc(C#N)cc2)C2CC2)cc(C)[nH+]1 ZINC000341928726 216155565 /nfs/dbraw/zinc/15/55/65/216155565.db2.gz GERQOLRFKAZGCF-UHFFFAOYSA-N 1 2 292.386 3.388 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCc2[nH+]ccn2CC(C)C)c1 ZINC000302051503 201321452 /nfs/dbraw/zinc/32/14/52/201321452.db2.gz XOOPLHRJURPHHJ-UHFFFAOYSA-N 1 2 296.374 3.225 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000119904958 370722366 /nfs/dbraw/zinc/72/23/66/370722366.db2.gz NGEUABUZUCJRAB-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000119904958 370722369 /nfs/dbraw/zinc/72/23/69/370722369.db2.gz NGEUABUZUCJRAB-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000120219807 370750627 /nfs/dbraw/zinc/75/06/27/370750627.db2.gz ZNDOWYFLVNYXAR-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000120219807 370750629 /nfs/dbraw/zinc/75/06/29/370750629.db2.gz ZNDOWYFLVNYXAR-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000121106216 370829157 /nfs/dbraw/zinc/82/91/57/370829157.db2.gz IFVOESSAXPYWFP-LBPRGKRZSA-N 1 2 280.331 3.144 20 30 CGEDLO C=CCCO[C@H](C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000125370934 370935865 /nfs/dbraw/zinc/93/58/65/370935865.db2.gz IWTRRXZUUSVYHJ-CYBMUJFWSA-N 1 2 299.374 3.007 20 30 CGEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000035053657 368995348 /nfs/dbraw/zinc/99/53/48/368995348.db2.gz PROPCNYKWNRUHJ-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO C=CC[N@H+](Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646339 370100095 /nfs/dbraw/zinc/10/00/95/370100095.db2.gz SZOWFGVITHKBPU-UHFFFAOYSA-N 1 2 272.304 3.376 20 30 CGEDLO C=CC[N@@H+](Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646339 370100101 /nfs/dbraw/zinc/10/01/01/370100101.db2.gz SZOWFGVITHKBPU-UHFFFAOYSA-N 1 2 272.304 3.376 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000093100933 370109668 /nfs/dbraw/zinc/10/96/68/370109668.db2.gz VFUFGYLTOSKUEI-HXUWFJFHSA-N 1 2 292.448 3.186 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000093100933 370109672 /nfs/dbraw/zinc/10/96/72/370109672.db2.gz VFUFGYLTOSKUEI-HXUWFJFHSA-N 1 2 292.448 3.186 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC3(C2)CCCCCC3)o1 ZINC000093769200 370157650 /nfs/dbraw/zinc/15/76/50/370157650.db2.gz AAGAHVRMEFQMBD-UHFFFAOYSA-N 1 2 274.364 3.076 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)o1 ZINC000093769200 370157653 /nfs/dbraw/zinc/15/76/53/370157653.db2.gz AAGAHVRMEFQMBD-UHFFFAOYSA-N 1 2 274.364 3.076 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000129598265 370994230 /nfs/dbraw/zinc/99/42/30/370994230.db2.gz NRBOJHZNNKTLIV-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000129598265 370994233 /nfs/dbraw/zinc/99/42/33/370994233.db2.gz NRBOJHZNNKTLIV-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1F ZINC000130415563 371031855 /nfs/dbraw/zinc/03/18/55/371031855.db2.gz QOZGKSYRIALGBM-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1F ZINC000130415563 371031863 /nfs/dbraw/zinc/03/18/63/371031863.db2.gz QOZGKSYRIALGBM-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000130450974 371035513 /nfs/dbraw/zinc/03/55/13/371035513.db2.gz YWNYFSVGSMJDEC-AWEZNQCLSA-N 1 2 257.362 3.278 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000150900281 371547796 /nfs/dbraw/zinc/54/77/96/371547796.db2.gz WTHZSILHPYWECJ-UHFFFAOYSA-N 1 2 293.411 3.142 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1noc(C2CCOCC2)n1 ZINC000150900281 371547802 /nfs/dbraw/zinc/54/78/02/371547802.db2.gz WTHZSILHPYWECJ-UHFFFAOYSA-N 1 2 293.411 3.142 20 30 CGEDLO C=C(C)[C@@H]([NH2+][C@H](C)c1nncn1C)c1ccc(F)c(F)c1 ZINC000287775545 371704099 /nfs/dbraw/zinc/70/40/99/371704099.db2.gz NEFJVWAVBLCODN-QMTHXVAHSA-N 1 2 292.333 3.061 20 30 CGEDLO N#CCCCOc1cccc(CNc2cccc[nH+]2)c1 ZINC000157433704 372022254 /nfs/dbraw/zinc/02/22/54/372022254.db2.gz TZIIXNFJSNZBDT-UHFFFAOYSA-N 1 2 267.332 3.376 20 30 CGEDLO COc1ccc(CNc2cccc[nH+]2)cc1OCCCC#N ZINC000157436259 372022278 /nfs/dbraw/zinc/02/22/78/372022278.db2.gz QLNDUNLTGZSIKU-UHFFFAOYSA-N 1 2 297.358 3.385 20 30 CGEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1C(F)(F)F ZINC000290520743 372006965 /nfs/dbraw/zinc/00/69/65/372006965.db2.gz MUELTFXAHWPWQF-SNVBAGLBSA-N 1 2 294.280 3.274 20 30 CGEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000290891037 372070045 /nfs/dbraw/zinc/07/00/45/372070045.db2.gz LGTFBFJKJBUDMD-UHFFFAOYSA-N 1 2 294.354 3.207 20 30 CGEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)o1)C2 ZINC000290891037 372070050 /nfs/dbraw/zinc/07/00/50/372070050.db2.gz LGTFBFJKJBUDMD-UHFFFAOYSA-N 1 2 294.354 3.207 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000424750376 372098032 /nfs/dbraw/zinc/09/80/32/372098032.db2.gz GJWBPNZJSOJFEI-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO Cc1nc(C(C)C)oc1C[N@H+](CCC#N)CC1CC1 ZINC000428245958 372181736 /nfs/dbraw/zinc/18/17/36/372181736.db2.gz KVEHWNIILMYPEI-UHFFFAOYSA-N 1 2 261.369 3.232 20 30 CGEDLO Cc1nc(C(C)C)oc1C[N@@H+](CCC#N)CC1CC1 ZINC000428245958 372181741 /nfs/dbraw/zinc/18/17/41/372181741.db2.gz KVEHWNIILMYPEI-UHFFFAOYSA-N 1 2 261.369 3.232 20 30 CGEDLO C=C(C)COc1cc(C[NH2+]CC(F)F)ccc1OC ZINC000291451268 372169339 /nfs/dbraw/zinc/16/93/39/372169339.db2.gz MCJKAGXVNTXCGI-UHFFFAOYSA-N 1 2 271.307 3.005 20 30 CGEDLO C=C(C)C[N@H+](Cc1[nH]ncc1C)Cc1ccccc1 ZINC000291645878 372172884 /nfs/dbraw/zinc/17/28/84/372172884.db2.gz UEQHFSKENKBNDC-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428443691 372202092 /nfs/dbraw/zinc/20/20/92/372202092.db2.gz SJZXPNTXPDNIKV-OAHLLOKOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428443691 372202101 /nfs/dbraw/zinc/20/21/01/372202101.db2.gz SJZXPNTXPDNIKV-OAHLLOKOSA-N 1 2 288.366 3.088 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1C#N ZINC000428455022 372206805 /nfs/dbraw/zinc/20/68/05/372206805.db2.gz ILRYZOHZKZGKDB-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1C#N ZINC000428455022 372206810 /nfs/dbraw/zinc/20/68/10/372206810.db2.gz ILRYZOHZKZGKDB-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO COc1cc[nH+]cc1NCc1ccc(F)c(C#N)c1Cl ZINC000428873680 372275685 /nfs/dbraw/zinc/27/56/85/372275685.db2.gz XHLBTZOGWFWASH-UHFFFAOYSA-N 1 2 291.713 3.366 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(Cl)c(F)c1 ZINC000428884601 372279535 /nfs/dbraw/zinc/27/95/35/372279535.db2.gz XTFNZBNOFWOZCK-UHFFFAOYSA-N 1 2 282.746 3.260 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccc(Cl)c(F)c1 ZINC000428884601 372279539 /nfs/dbraw/zinc/27/95/39/372279539.db2.gz XTFNZBNOFWOZCK-UHFFFAOYSA-N 1 2 282.746 3.260 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccccc1C[N@H+](C)[C@@H](C)CC#N ZINC000161736925 372349107 /nfs/dbraw/zinc/34/91/07/372349107.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000161736925 372349113 /nfs/dbraw/zinc/34/91/13/372349113.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1CN(C)[C@@H](C)CC#N ZINC000161736925 372349119 /nfs/dbraw/zinc/34/91/19/372349119.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccccc1CN(C)[C@@H](C)CC#N ZINC000161736925 372349126 /nfs/dbraw/zinc/34/91/26/372349126.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO CCc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)no1 ZINC000433010499 372578020 /nfs/dbraw/zinc/57/80/20/372578020.db2.gz KWXJETGYHYHDGM-AWEZNQCLSA-N 1 2 284.363 3.157 20 30 CGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)C#N ZINC000433313246 372588449 /nfs/dbraw/zinc/58/84/49/372588449.db2.gz PNGMEPLXICNCDE-LLVKDONJSA-N 1 2 261.325 3.137 20 30 CGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C#N ZINC000433313246 372588456 /nfs/dbraw/zinc/58/84/56/372588456.db2.gz PNGMEPLXICNCDE-LLVKDONJSA-N 1 2 261.325 3.137 20 30 CGEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433314466 372589340 /nfs/dbraw/zinc/58/93/40/372589340.db2.gz AQUFYNPKKRBHPX-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433314466 372589343 /nfs/dbraw/zinc/58/93/43/372589343.db2.gz AQUFYNPKKRBHPX-AWEZNQCLSA-N 1 2 287.407 3.112 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434626062 372696797 /nfs/dbraw/zinc/69/67/97/372696797.db2.gz KKBCAMPWQIKGBH-UHFFFAOYSA-N 1 2 299.320 3.211 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434626062 372696805 /nfs/dbraw/zinc/69/68/05/372696805.db2.gz KKBCAMPWQIKGBH-UHFFFAOYSA-N 1 2 299.320 3.211 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435133948 372736648 /nfs/dbraw/zinc/73/66/48/372736648.db2.gz UINNMTCFWKSHIT-UHFFFAOYSA-N 1 2 286.379 3.431 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435133948 372736652 /nfs/dbraw/zinc/73/66/52/372736652.db2.gz UINNMTCFWKSHIT-UHFFFAOYSA-N 1 2 286.379 3.431 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nn(CC)nc1C)Cc1ccccc1 ZINC000295930468 372962052 /nfs/dbraw/zinc/96/20/52/372962052.db2.gz APGJUPMBGOTGSJ-UHFFFAOYSA-N 1 2 284.407 3.185 20 30 CGEDLO C=C(C)C[N@H+](Cc1nn(CC)nc1C)Cc1ccccc1 ZINC000295930468 372962056 /nfs/dbraw/zinc/96/20/56/372962056.db2.gz APGJUPMBGOTGSJ-UHFFFAOYSA-N 1 2 284.407 3.185 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)o1)c1nc(C)cs1 ZINC000174502299 373328668 /nfs/dbraw/zinc/32/86/68/373328668.db2.gz HHCIGJQRHNLHKC-CQSZACIVSA-N 1 2 275.377 3.331 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(CC)no1 ZINC000297941138 373285782 /nfs/dbraw/zinc/28/57/82/373285782.db2.gz RYOAWHDYJQXIMN-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1nc(CC)no1 ZINC000297941138 373285787 /nfs/dbraw/zinc/28/57/87/373285787.db2.gz RYOAWHDYJQXIMN-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(CC)no1 ZINC000299162831 373474433 /nfs/dbraw/zinc/47/44/33/373474433.db2.gz XQUWFKDGXDDBDC-GFCCVEGCSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(CC)no1 ZINC000299162831 373474439 /nfs/dbraw/zinc/47/44/39/373474439.db2.gz XQUWFKDGXDDBDC-GFCCVEGCSA-N 1 2 275.352 3.017 20 30 CGEDLO CC(C)CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000447914364 373522516 /nfs/dbraw/zinc/52/25/16/373522516.db2.gz PAEGVKDQTYLFEP-JKSUJKDBSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)CCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000447914364 373522518 /nfs/dbraw/zinc/52/25/18/373522518.db2.gz PAEGVKDQTYLFEP-JKSUJKDBSA-N 1 2 264.413 3.350 20 30 CGEDLO N#Cc1cccc(NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000176901046 373641247 /nfs/dbraw/zinc/64/12/47/373641247.db2.gz JXTLFBDZWVZGED-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1F ZINC000449045000 373656556 /nfs/dbraw/zinc/65/65/56/373656556.db2.gz GPLAGWHFZJSDIZ-AEFFLSMTSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1F ZINC000449045000 373656561 /nfs/dbraw/zinc/65/65/61/373656561.db2.gz GPLAGWHFZJSDIZ-AEFFLSMTSA-N 1 2 295.361 3.492 20 30 CGEDLO C=CC(C)(C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000448605704 373621281 /nfs/dbraw/zinc/62/12/81/373621281.db2.gz RFZJGAYZRKQWJD-UHFFFAOYSA-N 1 2 274.408 3.231 20 30 CGEDLO C=CC(C)(C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000448605704 373621284 /nfs/dbraw/zinc/62/12/84/373621284.db2.gz RFZJGAYZRKQWJD-UHFFFAOYSA-N 1 2 274.408 3.231 20 30 CGEDLO Cc1ccc(CCNc2cccc(F)c2C#N)c[nH+]1 ZINC000301263873 373719108 /nfs/dbraw/zinc/71/91/08/373719108.db2.gz VYQOVFFCAHXRRF-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)o1 ZINC000179848683 373925023 /nfs/dbraw/zinc/92/50/23/373925023.db2.gz CRYHMVVTDVOPSZ-UHFFFAOYSA-N 1 2 277.327 3.191 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)o1 ZINC000179848683 373925030 /nfs/dbraw/zinc/92/50/30/373925030.db2.gz CRYHMVVTDVOPSZ-UHFFFAOYSA-N 1 2 277.327 3.191 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(CCc2ccccc2)n1 ZINC000450253097 374023348 /nfs/dbraw/zinc/02/33/48/374023348.db2.gz MIBXBFHOCSVMMR-UHFFFAOYSA-N 1 2 281.403 3.300 20 30 CGEDLO N#CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000180455282 374009961 /nfs/dbraw/zinc/00/99/61/374009961.db2.gz ONVKMXPRWIRTBB-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CCC1 ZINC000450247290 374020230 /nfs/dbraw/zinc/02/02/30/374020230.db2.gz MRCYCNILTZHCBO-CQSZACIVSA-N 1 2 290.432 3.423 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CCC1 ZINC000450247290 374020239 /nfs/dbraw/zinc/02/02/39/374020239.db2.gz MRCYCNILTZHCBO-CQSZACIVSA-N 1 2 290.432 3.423 20 30 CGEDLO N#Cc1c(Cl)cccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000450381573 374093677 /nfs/dbraw/zinc/09/36/77/374093677.db2.gz UYZWJPYPNMJJNN-CYBMUJFWSA-N 1 2 299.761 3.264 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2cc(C)cc(C#N)c2)c1 ZINC000308121411 374160405 /nfs/dbraw/zinc/16/04/05/374160405.db2.gz JXBGPDPYLSDTIR-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCC(=O)[C@H](C)C3)cn21 ZINC000328988613 374398295 /nfs/dbraw/zinc/39/82/95/374398295.db2.gz RPJBKZAZCXKCBZ-DGCLKSJQSA-N 1 2 299.374 3.105 20 30 CGEDLO CCCC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000328974587 374398942 /nfs/dbraw/zinc/39/89/42/374398942.db2.gz VYTHYBJUHFZOEX-NSHDSACASA-N 1 2 261.369 3.194 20 30 CGEDLO CCCC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000328974587 374398953 /nfs/dbraw/zinc/39/89/53/374398953.db2.gz VYTHYBJUHFZOEX-NSHDSACASA-N 1 2 261.369 3.194 20 30 CGEDLO C[C@@H]1C[C@@H](C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCO1 ZINC000329318828 374403585 /nfs/dbraw/zinc/40/35/85/374403585.db2.gz FWBMYHQWBGVESG-DOMZBBRYSA-N 1 2 299.374 3.348 20 30 CGEDLO Cc1ccc(NC(=O)[C@H]2CCCc3nn(C)cc32)c(C)[nH+]1 ZINC000329857649 374436827 /nfs/dbraw/zinc/43/68/27/374436827.db2.gz VOFQYAFPTPVVBP-LBPRGKRZSA-N 1 2 284.363 3.140 20 30 CGEDLO C=C1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000329363466 374406938 /nfs/dbraw/zinc/40/69/38/374406938.db2.gz HPWSCKVZGXOEKO-UONOGXRCSA-N 1 2 293.411 3.088 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C1 ZINC000185725711 374724916 /nfs/dbraw/zinc/72/49/16/374724916.db2.gz JNINEZJPXNBSGT-HOCLYGCPSA-N 1 2 299.418 3.142 20 30 CGEDLO N#C[C@H]1CCC[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1 ZINC000185725711 374724923 /nfs/dbraw/zinc/72/49/23/374724923.db2.gz JNINEZJPXNBSGT-HOCLYGCPSA-N 1 2 299.418 3.142 20 30 CGEDLO C=CCC1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000188044168 375147372 /nfs/dbraw/zinc/14/73/72/375147372.db2.gz NNKWSLNEZAIZAB-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000481272382 375163718 /nfs/dbraw/zinc/16/37/18/375163718.db2.gz VKIWLJLJCRDGPA-UHFFFAOYSA-N 1 2 298.180 3.186 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000481272382 375163721 /nfs/dbraw/zinc/16/37/21/375163721.db2.gz VKIWLJLJCRDGPA-UHFFFAOYSA-N 1 2 298.180 3.186 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335180240 375205393 /nfs/dbraw/zinc/20/53/93/375205393.db2.gz ZVICDAUAGNIUNY-YJBOKZPZSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335180240 375205395 /nfs/dbraw/zinc/20/53/95/375205395.db2.gz ZVICDAUAGNIUNY-YJBOKZPZSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000335835154 375468382 /nfs/dbraw/zinc/46/83/82/375468382.db2.gz AJSFXCPADOAYCZ-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000335835154 375468385 /nfs/dbraw/zinc/46/83/85/375468385.db2.gz AJSFXCPADOAYCZ-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO C=CC[C@@H]1N(C(=O)/C=C\c2[nH]cc[nH+]2)CCCC1(C)C ZINC000493425514 375471379 /nfs/dbraw/zinc/47/13/79/375471379.db2.gz DDVSCNBHNVNONS-WSROAFLRSA-N 1 2 273.380 3.016 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121221037 542016911 /nfs/dbraw/zinc/01/69/11/542016911.db2.gz BLARJMUWMMOUGE-OAHLLOKOSA-N 1 2 297.402 3.354 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121221037 542016913 /nfs/dbraw/zinc/01/69/13/542016913.db2.gz BLARJMUWMMOUGE-OAHLLOKOSA-N 1 2 297.402 3.354 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1C#N ZINC000336095911 375684035 /nfs/dbraw/zinc/68/40/35/375684035.db2.gz FAYGWAHEQFMUAV-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1C#N ZINC000336095911 375684042 /nfs/dbraw/zinc/68/40/42/375684042.db2.gz FAYGWAHEQFMUAV-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cn1c2ccccc2nc1C[N@H+](C)CC#Cc1ccccc1 ZINC000192113114 375700948 /nfs/dbraw/zinc/70/09/48/375700948.db2.gz BPANRXPDPABAHP-UHFFFAOYSA-N 1 2 289.382 3.057 20 30 CGEDLO Cn1c2ccccc2nc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000192113114 375700954 /nfs/dbraw/zinc/70/09/54/375700954.db2.gz BPANRXPDPABAHP-UHFFFAOYSA-N 1 2 289.382 3.057 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1F ZINC000192142635 375702239 /nfs/dbraw/zinc/70/22/39/375702239.db2.gz MMGMBZVMWDNGGS-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1F ZINC000192142635 375702244 /nfs/dbraw/zinc/70/22/44/375702244.db2.gz MMGMBZVMWDNGGS-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000192227422 375713698 /nfs/dbraw/zinc/71/36/98/375713698.db2.gz RWBOIAIMZIOLAW-AWEZNQCLSA-N 1 2 272.392 3.010 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000192227422 375713704 /nfs/dbraw/zinc/71/37/04/375713704.db2.gz RWBOIAIMZIOLAW-AWEZNQCLSA-N 1 2 272.392 3.010 20 30 CGEDLO C=CCCCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000509487479 375782344 /nfs/dbraw/zinc/78/23/44/375782344.db2.gz FFSJYEBZGZWWCQ-UHFFFAOYSA-N 1 2 294.826 3.244 20 30 CGEDLO C=CCCCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000509487479 375782349 /nfs/dbraw/zinc/78/23/49/375782349.db2.gz FFSJYEBZGZWWCQ-UHFFFAOYSA-N 1 2 294.826 3.244 20 30 CGEDLO C=C(C)CC[NH2+][C@](CC)(C(=O)OC)c1ccccc1 ZINC000509348599 375779584 /nfs/dbraw/zinc/77/95/84/375779584.db2.gz RQBYIDWJXVRRKH-INIZCTEOSA-N 1 2 261.365 3.021 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000514796370 375807329 /nfs/dbraw/zinc/80/73/29/375807329.db2.gz OZMXHMKIXOBBGQ-CYBMUJFWSA-N 1 2 291.351 3.164 20 30 CGEDLO Cc1ccnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000336836304 375998052 /nfs/dbraw/zinc/99/80/52/375998052.db2.gz LDZAGTKJAGICGE-UHFFFAOYSA-N 1 2 280.375 3.067 20 30 CGEDLO Cc1ccnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000336836304 375998065 /nfs/dbraw/zinc/99/80/65/375998065.db2.gz LDZAGTKJAGICGE-UHFFFAOYSA-N 1 2 280.375 3.067 20 30 CGEDLO C=C[C@@H](CC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000536191872 376082505 /nfs/dbraw/zinc/08/25/05/376082505.db2.gz MAWPTPPFDLQTMH-INIZCTEOSA-N 1 2 297.402 3.139 20 30 CGEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000538350117 376234858 /nfs/dbraw/zinc/23/48/58/376234858.db2.gz CSGSGRBNGKIBMB-INIZCTEOSA-N 1 2 294.402 3.404 20 30 CGEDLO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000538350117 376234867 /nfs/dbraw/zinc/23/48/67/376234867.db2.gz CSGSGRBNGKIBMB-INIZCTEOSA-N 1 2 294.402 3.404 20 30 CGEDLO CCc1cc(N(C)C[C@H](C)C#N)c2ccccc2[nH+]1 ZINC000540284869 376369167 /nfs/dbraw/zinc/36/91/67/376369167.db2.gz CKPUHXRERYKDAN-GFCCVEGCSA-N 1 2 253.349 3.393 20 30 CGEDLO CCC[N@H+](CC#N)Cc1ccc(C)cc1-c1ccnn1C ZINC000338945182 376591810 /nfs/dbraw/zinc/59/18/10/376591810.db2.gz ADGVEIRQZWHBJB-UHFFFAOYSA-N 1 2 282.391 3.131 20 30 CGEDLO CCC[N@@H+](CC#N)Cc1ccc(C)cc1-c1ccnn1C ZINC000338945182 376591816 /nfs/dbraw/zinc/59/18/16/376591816.db2.gz ADGVEIRQZWHBJB-UHFFFAOYSA-N 1 2 282.391 3.131 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2ccccc2nc1OC ZINC000545166798 376792437 /nfs/dbraw/zinc/79/24/37/376792437.db2.gz QCTSJPNNMAIAJN-AWEZNQCLSA-N 1 2 269.348 3.025 20 30 CGEDLO CC#CCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000156781694 542130087 /nfs/dbraw/zinc/13/00/87/542130087.db2.gz FLLCIILVQGCDMV-UHFFFAOYSA-N 1 2 284.222 3.282 20 30 CGEDLO CC#CCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000156781694 542130091 /nfs/dbraw/zinc/13/00/91/542130091.db2.gz FLLCIILVQGCDMV-UHFFFAOYSA-N 1 2 284.222 3.282 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C[C@H](C)C#N ZINC000245544842 376849432 /nfs/dbraw/zinc/84/94/32/376849432.db2.gz SPQLPGZNUOPDLE-CHWSQXEVSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C[C@H](C)C#N ZINC000245544842 376849436 /nfs/dbraw/zinc/84/94/36/376849436.db2.gz SPQLPGZNUOPDLE-CHWSQXEVSA-N 1 2 288.391 3.000 20 30 CGEDLO CC#CC[N@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000555751825 376859868 /nfs/dbraw/zinc/85/98/68/376859868.db2.gz NORHFKZHQHUYRB-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO CC#CC[N@@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000555751825 376859871 /nfs/dbraw/zinc/85/98/71/376859871.db2.gz NORHFKZHQHUYRB-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000556810193 376883386 /nfs/dbraw/zinc/88/33/86/376883386.db2.gz TUMHLLSBMXBOKT-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000556810193 376883388 /nfs/dbraw/zinc/88/33/88/376883388.db2.gz TUMHLLSBMXBOKT-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO CCCCCCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000248273530 377285430 /nfs/dbraw/zinc/28/54/30/377285430.db2.gz RDYSVRSBJMZIOX-UHFFFAOYSA-N 1 2 287.407 3.354 20 30 CGEDLO C=CCCCCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000572853065 377553066 /nfs/dbraw/zinc/55/30/66/377553066.db2.gz WRPLWEIJUCDZCP-UHFFFAOYSA-N 1 2 285.391 3.207 20 30 CGEDLO CCc1cc(C#N)ccc1OCc1c[nH+]ccc1OC ZINC000341405310 377553646 /nfs/dbraw/zinc/55/36/46/377553646.db2.gz XLEQLJDNAZRYTR-UHFFFAOYSA-N 1 2 268.316 3.103 20 30 CGEDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C#N)c1 ZINC000515595351 249215978 /nfs/dbraw/zinc/21/59/78/249215978.db2.gz BUVGTMJPUKDJMS-JTQLQIEISA-N 1 2 284.388 3.138 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1nc2cccnc2s1 ZINC000341578274 377608776 /nfs/dbraw/zinc/60/87/76/377608776.db2.gz DTHLUDYJQHBCTM-UHFFFAOYSA-N 1 2 288.420 3.453 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1nc2cccnc2s1 ZINC000341578274 377608784 /nfs/dbraw/zinc/60/87/84/377608784.db2.gz DTHLUDYJQHBCTM-UHFFFAOYSA-N 1 2 288.420 3.453 20 30 CGEDLO COc1ccc(C#N)cc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000342779377 377786750 /nfs/dbraw/zinc/78/67/50/377786750.db2.gz COWIEDQKQUMLEK-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO Cc1cccc(CCCNc2ccc(C#N)cc2F)[nH+]1 ZINC000343236434 377935878 /nfs/dbraw/zinc/93/58/78/377935878.db2.gz HQVNKLRVFIICCP-UHFFFAOYSA-N 1 2 269.323 3.446 20 30 CGEDLO N#CCC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000264230727 377967340 /nfs/dbraw/zinc/96/73/40/377967340.db2.gz YLBFQHYNOOADNS-UHFFFAOYSA-N 1 2 250.292 3.058 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OC(F)F ZINC000266914165 378027584 /nfs/dbraw/zinc/02/75/84/378027584.db2.gz KAFICPBJSQNEET-UHFFFAOYSA-N 1 2 254.280 3.024 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OC(F)F ZINC000266914165 378027592 /nfs/dbraw/zinc/02/75/92/378027592.db2.gz KAFICPBJSQNEET-UHFFFAOYSA-N 1 2 254.280 3.024 20 30 CGEDLO C[C@H](C#N)CSc1ccccc1NCc1c[nH+]cn1C ZINC000268477694 378065535 /nfs/dbraw/zinc/06/55/35/378065535.db2.gz RLGPSPVHCFDGBV-GFCCVEGCSA-N 1 2 286.404 3.284 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000579137916 378134770 /nfs/dbraw/zinc/13/47/70/378134770.db2.gz LSLORXJGXSFRFA-NSHDSACASA-N 1 2 291.301 3.402 20 30 CGEDLO CCCCCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269001890 378171697 /nfs/dbraw/zinc/17/16/97/378171697.db2.gz UYHZUMMXRPYJKJ-UHFFFAOYSA-N 1 2 265.401 3.092 20 30 CGEDLO CCCCCCCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269929168 378282852 /nfs/dbraw/zinc/28/28/52/378282852.db2.gz FDXNUWKLDNDION-UHFFFAOYSA-N 1 2 294.443 3.275 20 30 CGEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC(F)F ZINC000271119142 378455841 /nfs/dbraw/zinc/45/58/41/378455841.db2.gz GVKBWZLOHDFXJU-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC(F)F ZINC000271119142 378455846 /nfs/dbraw/zinc/45/58/46/378455846.db2.gz GVKBWZLOHDFXJU-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cncc(F)c1 ZINC000346877495 378694614 /nfs/dbraw/zinc/69/46/14/378694614.db2.gz XRWUNMCKFGUCCQ-UHFFFAOYSA-N 1 2 262.353 3.470 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cncc(F)c1 ZINC000346877495 378694618 /nfs/dbraw/zinc/69/46/18/378694618.db2.gz XRWUNMCKFGUCCQ-UHFFFAOYSA-N 1 2 262.353 3.470 20 30 CGEDLO COCC[C@H]([NH2+]Cc1ccccc1C#N)c1ccco1 ZINC000272497960 378651214 /nfs/dbraw/zinc/65/12/14/378651214.db2.gz GFGVURNYVAWCTR-HNNXBMFYSA-N 1 2 270.332 3.019 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000348286550 378888404 /nfs/dbraw/zinc/88/84/04/378888404.db2.gz SBNDPTFHOCLJJW-ZANVPECISA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000348286550 378888411 /nfs/dbraw/zinc/88/84/11/378888411.db2.gz SBNDPTFHOCLJJW-ZANVPECISA-N 1 2 286.272 3.470 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCSCC1 ZINC000274827356 378903056 /nfs/dbraw/zinc/90/30/56/378903056.db2.gz LEHBJUHUHSNBKT-UHFFFAOYSA-N 1 2 266.797 3.151 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCSCC1 ZINC000274827356 378903061 /nfs/dbraw/zinc/90/30/61/378903061.db2.gz LEHBJUHUHSNBKT-UHFFFAOYSA-N 1 2 266.797 3.151 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CCC1 ZINC000276639569 378973386 /nfs/dbraw/zinc/97/33/86/378973386.db2.gz RXKXIAFJTWLJFO-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000370779684 379071328 /nfs/dbraw/zinc/07/13/28/379071328.db2.gz ABYALPAPQMXZMK-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000370779684 379071334 /nfs/dbraw/zinc/07/13/34/379071334.db2.gz ABYALPAPQMXZMK-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000375792010 379509699 /nfs/dbraw/zinc/50/96/99/379509699.db2.gz ZOXZNHOJXCOXMH-OAHLLOKOSA-N 1 2 283.375 3.142 20 30 CGEDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000640030349 379696202 /nfs/dbraw/zinc/69/62/02/379696202.db2.gz SWOXNLPOPYWDHA-HOTGVXAUSA-N 1 2 270.376 3.192 20 30 CGEDLO Cc1ccc(C(=O)CC[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000640030349 379696209 /nfs/dbraw/zinc/69/62/09/379696209.db2.gz SWOXNLPOPYWDHA-HOTGVXAUSA-N 1 2 270.376 3.192 20 30 CGEDLO C=CC[C@H](CC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000281070855 379815589 /nfs/dbraw/zinc/81/55/89/379815589.db2.gz MQYZSFFGFAJZOJ-INIZCTEOSA-N 1 2 283.375 3.016 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000352447590 379818643 /nfs/dbraw/zinc/81/86/43/379818643.db2.gz BRIZZAPCIUXZJJ-UHFFFAOYSA-N 1 2 297.171 3.277 20 30 CGEDLO C=C(C)CCn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641070118 379926517 /nfs/dbraw/zinc/92/65/17/379926517.db2.gz WAZGRAFDONWTDS-UHFFFAOYSA-N 1 2 295.390 3.259 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000268157820 190381507 /nfs/dbraw/zinc/38/15/07/190381507.db2.gz GOPOXRMJPISPSJ-UHFFFAOYSA-N 1 2 283.375 3.027 20 30 CGEDLO Cc1cccc(CCCNc2nc(Cl)c(C#N)s2)[nH+]1 ZINC000286119919 380162858 /nfs/dbraw/zinc/16/28/58/380162858.db2.gz AFSYGVFXWHVYBV-UHFFFAOYSA-N 1 2 292.795 3.416 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(C)nn1 ZINC000414373424 380216964 /nfs/dbraw/zinc/21/69/64/380216964.db2.gz SBHYUZGJGAVBQM-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C)nn1 ZINC000414373424 380216967 /nfs/dbraw/zinc/21/69/67/380216967.db2.gz SBHYUZGJGAVBQM-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO CCn1cncc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000417789299 380679504 /nfs/dbraw/zinc/67/95/04/380679504.db2.gz VAFPVEHCSFBWGO-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cncc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000417789299 380679509 /nfs/dbraw/zinc/67/95/09/380679509.db2.gz VAFPVEHCSFBWGO-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1c[nH+]cc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000417789299 380679514 /nfs/dbraw/zinc/67/95/14/380679514.db2.gz VAFPVEHCSFBWGO-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO Cn1ccnc1[C@H]([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000357400269 381145600 /nfs/dbraw/zinc/14/56/00/381145600.db2.gz FMVRSPWYEYZTKQ-CQSZACIVSA-N 1 2 288.782 3.056 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccc(F)cc3C#N)cn2c1 ZINC000360966407 381635455 /nfs/dbraw/zinc/63/54/55/381635455.db2.gz NVUIMHRIBWNXAE-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000361150459 381657764 /nfs/dbraw/zinc/65/77/64/381657764.db2.gz AJSQJKIXLZIKLU-GZBFAFLISA-N 1 2 270.380 3.084 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)o1 ZINC000363564694 382234396 /nfs/dbraw/zinc/23/43/96/382234396.db2.gz WNONGLFZVJLERJ-SFHVURJKSA-N 1 2 289.338 3.425 20 30 CGEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(C)c1OC ZINC000347863804 533549927 /nfs/dbraw/zinc/54/99/27/533549927.db2.gz XCEGYNWHCCIOML-GFCCVEGCSA-N 1 2 288.391 3.136 20 30 CGEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(C)c1OC ZINC000347863804 533549934 /nfs/dbraw/zinc/54/99/34/533549934.db2.gz XCEGYNWHCCIOML-GFCCVEGCSA-N 1 2 288.391 3.136 20 30 CGEDLO C=CCC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000284917188 392315368 /nfs/dbraw/zinc/31/53/68/392315368.db2.gz HLRJANCGJFHEMW-UHFFFAOYSA-N 1 2 293.750 3.160 20 30 CGEDLO C=CCC[N@H+](C)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000284917188 392315372 /nfs/dbraw/zinc/31/53/72/392315372.db2.gz HLRJANCGJFHEMW-UHFFFAOYSA-N 1 2 293.750 3.160 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1F ZINC000361862211 392348513 /nfs/dbraw/zinc/34/85/13/392348513.db2.gz LUZNSZZGEFTCND-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1F ZINC000361862211 392348518 /nfs/dbraw/zinc/34/85/18/392348518.db2.gz LUZNSZZGEFTCND-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO COc1cccc(/C=[NH+]/CCc2nc(C)c(C)s2)c1O ZINC000121537002 392413809 /nfs/dbraw/zinc/41/38/09/392413809.db2.gz IOMJTSQAPTZRCT-CXUHLZMHSA-N 1 2 290.388 3.136 20 30 CGEDLO O=c1[nH]c2ccccc2cc1C=[NH+]CCCOCC1CC1 ZINC000121791333 392415757 /nfs/dbraw/zinc/41/57/57/392415757.db2.gz MUVRSBSIIVWFQR-WOJGMQOQSA-N 1 2 284.359 3.176 20 30 CGEDLO C=CCCSC[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000289503741 392423070 /nfs/dbraw/zinc/42/30/70/392423070.db2.gz ZPZBFMOPMPUKEH-CQSZACIVSA-N 1 2 290.432 3.323 20 30 CGEDLO CC(C)[C@H](C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000366249448 392452590 /nfs/dbraw/zinc/45/25/90/392452590.db2.gz IWTRLASATCQJRQ-OALUTQOASA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)[C@H](C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1 ZINC000366249448 392452597 /nfs/dbraw/zinc/45/25/97/392452597.db2.gz IWTRLASATCQJRQ-OALUTQOASA-N 1 2 297.446 3.098 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000173538628 392626817 /nfs/dbraw/zinc/62/68/17/392626817.db2.gz LFPOKCDPLPDWMZ-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000173538628 392626821 /nfs/dbraw/zinc/62/68/21/392626821.db2.gz LFPOKCDPLPDWMZ-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)(C)c1[nH]c2ccc(NC(=O)C(C)(C)C#N)cc2[nH+]1 ZINC000194199991 392907346 /nfs/dbraw/zinc/90/73/46/392907346.db2.gz XWGHFGJYLWNQBL-UHFFFAOYSA-N 1 2 284.363 3.349 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)s1 ZINC000336513587 392861017 /nfs/dbraw/zinc/86/10/17/392861017.db2.gz LYIFLTQSLSOWDO-UHFFFAOYSA-N 1 2 272.295 3.314 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)s1 ZINC000336513587 392861022 /nfs/dbraw/zinc/86/10/22/392861022.db2.gz LYIFLTQSLSOWDO-UHFFFAOYSA-N 1 2 272.295 3.314 20 30 CGEDLO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](CC)CC#N ZINC000519619024 392875956 /nfs/dbraw/zinc/87/59/56/392875956.db2.gz YBTNWVMIROJHIY-HNNXBMFYSA-N 1 2 287.407 3.032 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cccc(F)c1Br ZINC000382632651 392920445 /nfs/dbraw/zinc/92/04/45/392920445.db2.gz LWXVCVCCCXSTLF-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000533775115 392998467 /nfs/dbraw/zinc/99/84/67/392998467.db2.gz IHLORBSRHCFLPG-GFCCVEGCSA-N 1 2 298.342 3.131 20 30 CGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000533775115 392998470 /nfs/dbraw/zinc/99/84/70/392998470.db2.gz IHLORBSRHCFLPG-GFCCVEGCSA-N 1 2 298.342 3.131 20 30 CGEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCCC#N ZINC000413012853 393016324 /nfs/dbraw/zinc/01/63/24/393016324.db2.gz NDRWIZMCPZWSQH-UHFFFAOYSA-N 1 2 257.362 3.328 20 30 CGEDLO CCC[N@H+](CC1(C#N)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000343304021 393024508 /nfs/dbraw/zinc/02/45/08/393024508.db2.gz PFHNPNRTTIVLGL-CQSZACIVSA-N 1 2 285.391 3.029 20 30 CGEDLO CCC[N@@H+](CC1(C#N)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000343304021 393024513 /nfs/dbraw/zinc/02/45/13/393024513.db2.gz PFHNPNRTTIVLGL-CQSZACIVSA-N 1 2 285.391 3.029 20 30 CGEDLO Cc1cc([C@@H]2C[N@H+]([C@@H](C)CCC#N)CCO2)ccc1F ZINC000351322981 393181281 /nfs/dbraw/zinc/18/12/81/393181281.db2.gz DLHAMCSVVFUEQR-BBRMVZONSA-N 1 2 276.355 3.200 20 30 CGEDLO Cc1cc([C@@H]2C[N@@H+]([C@@H](C)CCC#N)CCO2)ccc1F ZINC000351322981 393181289 /nfs/dbraw/zinc/18/12/89/393181289.db2.gz DLHAMCSVVFUEQR-BBRMVZONSA-N 1 2 276.355 3.200 20 30 CGEDLO C=CCNC(=O)[C@H](C)SCc1ccc(C(C)C)[nH+]c1C ZINC000419490006 393392808 /nfs/dbraw/zinc/39/28/08/393392808.db2.gz HBVYPDNOIWBFKR-ZDUSSCGKSA-N 1 2 292.448 3.437 20 30 CGEDLO COc1ccc(-c2[nH]c3cc(C)c(OC)cc3[nH+]2)cc1C#N ZINC000446147468 393851622 /nfs/dbraw/zinc/85/16/22/393851622.db2.gz PCGLGCDYWDIVOU-UHFFFAOYSA-N 1 2 293.326 3.427 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697146 543178088 /nfs/dbraw/zinc/17/80/88/543178088.db2.gz NNIIHLHPAFZADR-NSHDSACASA-N 1 2 275.377 3.032 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000671697146 543178090 /nfs/dbraw/zinc/17/80/90/543178090.db2.gz NNIIHLHPAFZADR-NSHDSACASA-N 1 2 275.377 3.032 20 30 CGEDLO COc1ccc(C[NH+]2Cc3ccccc3C2)cc1C#N ZINC000087833364 165189709 /nfs/dbraw/zinc/18/97/09/165189709.db2.gz HXENEWYCAYEXAB-UHFFFAOYSA-N 1 2 264.328 3.083 20 30 CGEDLO C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679223895 543602481 /nfs/dbraw/zinc/60/24/81/543602481.db2.gz MJCMZSZLQPJVOE-WFASDCNBSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679223895 543602483 /nfs/dbraw/zinc/60/24/83/543602483.db2.gz MJCMZSZLQPJVOE-WFASDCNBSA-N 1 2 265.759 3.371 20 30 CGEDLO Cc1cccc2[nH+]cc(CNc3cccc(C#N)c3)n21 ZINC000354786975 227107676 /nfs/dbraw/zinc/10/76/76/227107676.db2.gz NIBOCEHDXHFILZ-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C=CCCn1cc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653564820 419050072 /nfs/dbraw/zinc/05/00/72/419050072.db2.gz NFMFMGYDYRRDJM-RHSMWYFYSA-N 1 2 282.391 3.047 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653564820 419050075 /nfs/dbraw/zinc/05/00/75/419050075.db2.gz NFMFMGYDYRRDJM-RHSMWYFYSA-N 1 2 282.391 3.047 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(CC)C1=O ZINC000659817866 418999890 /nfs/dbraw/zinc/99/98/90/418999890.db2.gz QMXWKNJQPLHVTK-GFCCVEGCSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(CC)C1=O ZINC000659817866 418999893 /nfs/dbraw/zinc/99/98/93/418999893.db2.gz QMXWKNJQPLHVTK-GFCCVEGCSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655734483 419081328 /nfs/dbraw/zinc/08/13/28/419081328.db2.gz JMKCKNCCSQXLRP-UHFFFAOYSA-N 1 2 297.402 3.074 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1 ZINC000653606352 419057987 /nfs/dbraw/zinc/05/79/87/419057987.db2.gz DNJLQMQVPQQAQQ-OAHLLOKOSA-N 1 2 299.422 3.225 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000666493323 419222656 /nfs/dbraw/zinc/22/26/56/419222656.db2.gz XLJMXPLICZUDAL-UKRRQHHQSA-N 1 2 273.380 3.068 20 30 CGEDLO C=CCC[N@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661731888 419291456 /nfs/dbraw/zinc/29/14/56/419291456.db2.gz XWBHCAXDLKXTNT-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCC[N@@H+]1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661731888 419291457 /nfs/dbraw/zinc/29/14/57/419291457.db2.gz XWBHCAXDLKXTNT-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000356078975 228112876 /nfs/dbraw/zinc/11/28/76/228112876.db2.gz AEYIXHFDHPZFJK-PHIMTYICSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000356078975 228112878 /nfs/dbraw/zinc/11/28/78/228112878.db2.gz AEYIXHFDHPZFJK-PHIMTYICSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H](Nc1cccc(OCCCC#N)c1)c1[nH+]ccn1C ZINC000070445081 260157583 /nfs/dbraw/zinc/15/75/83/260157583.db2.gz ZQIDIWYXIDVDPU-CYBMUJFWSA-N 1 2 284.363 3.276 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080509195 260180797 /nfs/dbraw/zinc/18/07/97/260180797.db2.gz YQTQDVMBHHQJKI-CQSZACIVSA-N 1 2 258.365 3.182 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OC(F)F ZINC000064931905 260242429 /nfs/dbraw/zinc/24/24/29/260242429.db2.gz DMTQTPMIRWWMRL-JTQLQIEISA-N 1 2 284.306 3.031 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC(F)F ZINC000064931905 260242431 /nfs/dbraw/zinc/24/24/31/260242431.db2.gz DMTQTPMIRWWMRL-JTQLQIEISA-N 1 2 284.306 3.031 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](C#N)CCC#N ZINC000072589929 260277002 /nfs/dbraw/zinc/27/70/02/260277002.db2.gz SAUQOVXSLASDEQ-ZDUSSCGKSA-N 1 2 261.756 3.215 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](C#N)CCC#N ZINC000072589929 260277004 /nfs/dbraw/zinc/27/70/04/260277004.db2.gz SAUQOVXSLASDEQ-ZDUSSCGKSA-N 1 2 261.756 3.215 20 30 CGEDLO C#CCN(Cc1[nH+]ccn1C(C)C)Cc1ccc(F)cc1 ZINC000107299801 260286612 /nfs/dbraw/zinc/28/66/12/260286612.db2.gz CHWDDQDAMOEPSR-UHFFFAOYSA-N 1 2 285.366 3.239 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000154229280 261089176 /nfs/dbraw/zinc/08/91/76/261089176.db2.gz QCVFFSYLLPTBLL-MRSXGANUSA-N 1 2 289.375 3.167 20 30 CGEDLO Cc1cc(C[N@H+](C)C[C@@H](C#N)CCC#N)ccc1F ZINC000444732908 261139299 /nfs/dbraw/zinc/13/92/99/261139299.db2.gz KPGZMDQNSSLGEJ-CQSZACIVSA-N 1 2 259.328 3.009 20 30 CGEDLO Cc1cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)ccc1F ZINC000444732908 261139301 /nfs/dbraw/zinc/13/93/01/261139301.db2.gz KPGZMDQNSSLGEJ-CQSZACIVSA-N 1 2 259.328 3.009 20 30 CGEDLO CC(C)(C)n1cc(C[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000191461159 262192184 /nfs/dbraw/zinc/19/21/84/262192184.db2.gz UHPWZVJCGTXCAI-MRXNPFEDSA-N 1 2 297.406 3.168 20 30 CGEDLO N#CCCOCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000339171414 262608687 /nfs/dbraw/zinc/60/86/87/262608687.db2.gz OOKBVARGYDJOGV-OAHLLOKOSA-N 1 2 296.773 3.141 20 30 CGEDLO N#CCCOCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000339171414 262608689 /nfs/dbraw/zinc/60/86/89/262608689.db2.gz OOKBVARGYDJOGV-OAHLLOKOSA-N 1 2 296.773 3.141 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000272472971 263005125 /nfs/dbraw/zinc/00/51/25/263005125.db2.gz ASYJTYDJIBMYAY-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272565622 263006877 /nfs/dbraw/zinc/00/68/77/263006877.db2.gz MHEMNYSEIVNYJM-HNNXBMFYSA-N 1 2 299.418 3.256 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000272624470 263007523 /nfs/dbraw/zinc/00/75/23/263007523.db2.gz VIOJNIWNWGZFPX-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1C(F)F ZINC000274506236 263025074 /nfs/dbraw/zinc/02/50/74/263025074.db2.gz TZLARMUXBMYMOD-UHFFFAOYSA-N 1 2 284.354 3.119 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1C(F)F ZINC000274506236 263025075 /nfs/dbraw/zinc/02/50/75/263025075.db2.gz TZLARMUXBMYMOD-UHFFFAOYSA-N 1 2 284.354 3.119 20 30 CGEDLO CC[C@@H](C#N)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275401585 263033225 /nfs/dbraw/zinc/03/32/25/263033225.db2.gz BEFJFNAFXWKMRT-AWEZNQCLSA-N 1 2 278.359 3.316 20 30 CGEDLO Cc1cccc(C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)c1O ZINC000278344350 263047013 /nfs/dbraw/zinc/04/70/13/263047013.db2.gz HWFZZEUKMFPZHI-AWEZNQCLSA-N 1 2 258.365 3.215 20 30 CGEDLO Cc1cccc(C[N@H+]2CCCC(C)(C)[C@@H]2C#N)c1O ZINC000278344350 263047014 /nfs/dbraw/zinc/04/70/14/263047014.db2.gz HWFZZEUKMFPZHI-AWEZNQCLSA-N 1 2 258.365 3.215 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279891261 263057949 /nfs/dbraw/zinc/05/79/49/263057949.db2.gz SQVPABJKALLMLC-SNVBAGLBSA-N 1 2 251.399 3.222 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000280562570 263063061 /nfs/dbraw/zinc/06/30/61/263063061.db2.gz VHXPAGWLPMDYLL-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000280562570 263063062 /nfs/dbraw/zinc/06/30/62/263063062.db2.gz VHXPAGWLPMDYLL-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000292784040 263135069 /nfs/dbraw/zinc/13/50/69/263135069.db2.gz LRZQDKKKTXHPGL-VMPITWQZSA-N 1 2 271.320 3.010 20 30 CGEDLO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000292784040 263135070 /nfs/dbraw/zinc/13/50/70/263135070.db2.gz LRZQDKKKTXHPGL-VMPITWQZSA-N 1 2 271.320 3.010 20 30 CGEDLO C=C(C)CN(Cc1c[nH+]c(N(C)C)n1C)Cc1ccccc1 ZINC000425334019 264010043 /nfs/dbraw/zinc/01/00/43/264010043.db2.gz FZAZIVAVXJQIOJ-UHFFFAOYSA-N 1 2 298.434 3.064 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000428094274 264365860 /nfs/dbraw/zinc/36/58/60/264365860.db2.gz GPNVSAIHNVJFKR-RISCZKNCSA-N 1 2 281.783 3.498 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1Br ZINC000132285431 264386415 /nfs/dbraw/zinc/38/64/15/264386415.db2.gz MLMJOJKNANQRTL-NSHDSACASA-N 1 2 281.197 3.492 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1Br ZINC000132285431 264386418 /nfs/dbraw/zinc/38/64/18/264386418.db2.gz MLMJOJKNANQRTL-NSHDSACASA-N 1 2 281.197 3.492 20 30 CGEDLO COc1cccc(C[NH2+]CC2(C#N)CCC2)c1OC(C)C ZINC000418142630 267363593 /nfs/dbraw/zinc/36/35/93/267363593.db2.gz NGWVITSMJMGWNT-UHFFFAOYSA-N 1 2 288.391 3.266 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2Br)CCC1 ZINC000418143464 267365689 /nfs/dbraw/zinc/36/56/89/267365689.db2.gz POAMUOFMBWYICJ-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000418137188 267370626 /nfs/dbraw/zinc/37/06/26/267370626.db2.gz DINMOECEZQBJFQ-UHFFFAOYSA-N 1 2 279.727 3.032 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000349747408 277849596 /nfs/dbraw/zinc/84/95/96/277849596.db2.gz SFFMZXDECCPHRJ-SFHVURJKSA-N 1 2 298.430 3.414 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc2O1 ZINC000429138630 288209586 /nfs/dbraw/zinc/20/95/86/288209586.db2.gz FEBDBGPYWIPLGP-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc2O1 ZINC000429138630 288209590 /nfs/dbraw/zinc/20/95/90/288209590.db2.gz FEBDBGPYWIPLGP-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000183836595 327821766 /nfs/dbraw/zinc/82/17/66/327821766.db2.gz SDHFPAFYUXZXST-QMMMGPOBSA-N 1 2 260.234 3.094 20 30 CGEDLO CCOc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)cc1CO ZINC000185741054 327843844 /nfs/dbraw/zinc/84/38/44/327843844.db2.gz URMPXPRXPBOHNT-OCCSQVGLSA-N 1 2 274.364 3.072 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000571417653 328120626 /nfs/dbraw/zinc/12/06/26/328120626.db2.gz STFCRDAEQGUCEU-ZDUSSCGKSA-N 1 2 299.374 3.182 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000571417653 328120627 /nfs/dbraw/zinc/12/06/27/328120627.db2.gz STFCRDAEQGUCEU-ZDUSSCGKSA-N 1 2 299.374 3.182 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274395999 328210928 /nfs/dbraw/zinc/21/09/28/328210928.db2.gz QZOAEHJWNWMPGY-UHFFFAOYSA-N 1 2 274.364 3.067 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274395999 328210930 /nfs/dbraw/zinc/21/09/30/328210930.db2.gz QZOAEHJWNWMPGY-UHFFFAOYSA-N 1 2 274.364 3.067 20 30 CGEDLO CO[C@H](C[N@H+](C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639274 328244650 /nfs/dbraw/zinc/24/46/50/328244650.db2.gz SNQDXWNZOOYELO-BXUZGUMPSA-N 1 2 266.772 3.119 20 30 CGEDLO CO[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639274 328244651 /nfs/dbraw/zinc/24/46/51/328244651.db2.gz SNQDXWNZOOYELO-BXUZGUMPSA-N 1 2 266.772 3.119 20 30 CGEDLO CCCCCCCC(=O)NCc1c[nH+]ccc1OC ZINC000294364388 328280669 /nfs/dbraw/zinc/28/06/69/328280669.db2.gz BXTKBODRIWKDRE-UHFFFAOYSA-N 1 2 264.369 3.067 20 30 CGEDLO CCCCCCCCC(=O)N(C)Cc1[nH+]ccn1C ZINC000298191536 328295412 /nfs/dbraw/zinc/29/54/12/328295412.db2.gz OSTJDUYICLDPLA-UHFFFAOYSA-N 1 2 265.401 3.129 20 30 CGEDLO Cc1ccccc1-c1cnc(C[NH+]2CCC(C#N)CC2)o1 ZINC000534528277 328305401 /nfs/dbraw/zinc/30/54/01/328305401.db2.gz RUJAFTMTGWUFSB-UHFFFAOYSA-N 1 2 281.359 3.386 20 30 CGEDLO Cn1c[nH+]cc1CNc1ccccc1C#Cc1ccccc1 ZINC000347728305 328576111 /nfs/dbraw/zinc/57/61/11/328576111.db2.gz FXQVXDWNFHUVRU-UHFFFAOYSA-N 1 2 287.366 3.432 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000558494926 327098022 /nfs/dbraw/zinc/09/80/22/327098022.db2.gz YKHVFDPQNCJRLO-WMLDXEAASA-N 1 2 279.343 3.402 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000559459329 327246370 /nfs/dbraw/zinc/24/63/70/327246370.db2.gz UJESGLWQDWADEE-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000559459329 327246371 /nfs/dbraw/zinc/24/63/71/327246371.db2.gz UJESGLWQDWADEE-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000047979759 327276377 /nfs/dbraw/zinc/27/63/77/327276377.db2.gz GYFWGWKNRCGQAC-JTQLQIEISA-N 1 2 267.170 3.041 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000047979759 327276379 /nfs/dbraw/zinc/27/63/79/327276379.db2.gz GYFWGWKNRCGQAC-JTQLQIEISA-N 1 2 267.170 3.041 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000569706925 327538580 /nfs/dbraw/zinc/53/85/80/327538580.db2.gz VBSJNGYZYXMHIA-JTQLQIEISA-N 1 2 261.350 3.185 20 30 CGEDLO C=CCOCCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000376789306 329008174 /nfs/dbraw/zinc/00/81/74/329008174.db2.gz GZIQPABFDCTGSV-UHFFFAOYSA-N 1 2 299.374 3.306 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000582554535 329110860 /nfs/dbraw/zinc/11/08/60/329110860.db2.gz OXPIECJLVBRFRO-CYBMUJFWSA-N 1 2 273.311 3.263 20 30 CGEDLO CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)C[C@@H](C)C#N ZINC000173200907 329143611 /nfs/dbraw/zinc/14/36/11/329143611.db2.gz AWMBRZCMDQWDHM-AWEZNQCLSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)C[C@@H](C)C#N ZINC000173200907 329143613 /nfs/dbraw/zinc/14/36/13/329143613.db2.gz AWMBRZCMDQWDHM-AWEZNQCLSA-N 1 2 296.418 3.471 20 30 CGEDLO C=CCN(CC=C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000175036442 329162323 /nfs/dbraw/zinc/16/23/23/329162323.db2.gz RXUMMMUCNNPVGM-UHFFFAOYSA-N 1 2 266.348 3.025 20 30 CGEDLO N#CCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175454845 329168630 /nfs/dbraw/zinc/16/86/30/329168630.db2.gz MGWADPHBCJXDDQ-CQSZACIVSA-N 1 2 298.308 3.382 20 30 CGEDLO N#CCCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175454845 329168631 /nfs/dbraw/zinc/16/86/31/329168631.db2.gz MGWADPHBCJXDDQ-CQSZACIVSA-N 1 2 298.308 3.382 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[NH+]2Cc3ccccc3C2)c1C ZINC000177600412 329187842 /nfs/dbraw/zinc/18/78/42/329187842.db2.gz FKHOUHRHZSCOEX-UHFFFAOYSA-N 1 2 294.398 3.489 20 30 CGEDLO CCc1ccc2[nH+]ccc(NCC3(C#N)CCC3)c2c1 ZINC000419024581 329704053 /nfs/dbraw/zinc/70/40/53/329704053.db2.gz QTTXFDDKQYLPIY-UHFFFAOYSA-N 1 2 265.360 3.325 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)OCC ZINC000270049880 330072179 /nfs/dbraw/zinc/07/21/79/330072179.db2.gz MDKYKPSNUVUNBE-HNNXBMFYSA-N 1 2 299.374 3.387 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cccc2ccoc21)C(=O)OCC ZINC000449654118 330942119 /nfs/dbraw/zinc/94/21/19/330942119.db2.gz DLGREJJLXHBTLR-HNNXBMFYSA-N 1 2 287.359 3.420 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450859152 331003346 /nfs/dbraw/zinc/00/33/46/331003346.db2.gz MGDFNAGMRIXOKE-IAGOWNOFSA-N 1 2 286.419 3.258 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000450859152 331003347 /nfs/dbraw/zinc/00/33/47/331003347.db2.gz MGDFNAGMRIXOKE-IAGOWNOFSA-N 1 2 286.419 3.258 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ncccc1OC)c1ccco1 ZINC000453348498 331120247 /nfs/dbraw/zinc/12/02/47/331120247.db2.gz CNMSTWDHOYCALZ-CYBMUJFWSA-N 1 2 272.348 3.480 20 30 CGEDLO C=C(C[NH2+][C@@H](CCCC)C(=O)OC)c1ccccc1 ZINC000488380468 332003073 /nfs/dbraw/zinc/00/30/73/332003073.db2.gz BWEFVZVKAPEBIR-HNNXBMFYSA-N 1 2 261.365 3.021 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1ccc(F)cc1 ZINC000491485777 332220490 /nfs/dbraw/zinc/22/04/90/332220490.db2.gz RAFPVZLSYXOGJI-MRXNPFEDSA-N 1 2 299.345 3.307 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(F)cc1 ZINC000491523299 332228936 /nfs/dbraw/zinc/22/89/36/332228936.db2.gz CYOMTSPBEWHVFG-CQSZACIVSA-N 1 2 260.337 3.055 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1cnc(C)cn1 ZINC000491618289 332244878 /nfs/dbraw/zinc/24/48/78/332244878.db2.gz DPNYNBOSRRSHIW-AWEZNQCLSA-N 1 2 283.350 3.121 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1cnc(C)cn1 ZINC000491618289 332244880 /nfs/dbraw/zinc/24/48/80/332244880.db2.gz DPNYNBOSRRSHIW-AWEZNQCLSA-N 1 2 283.350 3.121 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc2ccc(C)cn12)c1ccc(F)cc1 ZINC000491730567 332312537 /nfs/dbraw/zinc/31/25/37/332312537.db2.gz PHRFWCCQNTUYKP-KRWDZBQOSA-N 1 2 293.345 3.246 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000491786132 332348938 /nfs/dbraw/zinc/34/89/38/332348938.db2.gz TVZLXBXUJIFTIS-SNVBAGLBSA-N 1 2 295.308 3.046 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000491786132 332348940 /nfs/dbraw/zinc/34/89/40/332348940.db2.gz TVZLXBXUJIFTIS-SNVBAGLBSA-N 1 2 295.308 3.046 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccccc2OC(F)F)c1 ZINC000545927280 334006987 /nfs/dbraw/zinc/00/69/87/334006987.db2.gz QTQNRRJKRRKXHW-UHFFFAOYSA-N 1 2 289.285 3.361 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccccc1C[N@H+](C)[C@H](C)CC#N ZINC000247779327 334290331 /nfs/dbraw/zinc/29/03/31/334290331.db2.gz XHWZMLSGHISIRC-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccccc1C[N@@H+](C)[C@H](C)CC#N ZINC000247779327 334290332 /nfs/dbraw/zinc/29/03/32/334290332.db2.gz XHWZMLSGHISIRC-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000552326471 334317338 /nfs/dbraw/zinc/31/73/38/334317338.db2.gz SGSFTYQLXBREHG-JTQLQIEISA-N 1 2 261.394 3.145 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000552326471 334317339 /nfs/dbraw/zinc/31/73/39/334317339.db2.gz SGSFTYQLXBREHG-JTQLQIEISA-N 1 2 261.394 3.145 20 30 CGEDLO C=CCn1c2ccccc2nc1SCCn1cc[nH+]c1 ZINC000159248559 334858494 /nfs/dbraw/zinc/85/84/94/334858494.db2.gz PHFHXDVZIQUTIV-UHFFFAOYSA-N 1 2 284.388 3.211 20 30 CGEDLO Cc1cc(Br)c(C[NH2+]C[C@@H](C)C#N)s1 ZINC000576590535 335222261 /nfs/dbraw/zinc/22/22/61/335222261.db2.gz UTEJDQMVIWQIDX-ZETCQYMHSA-N 1 2 273.199 3.068 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000577706358 335390807 /nfs/dbraw/zinc/39/08/07/335390807.db2.gz FRQOOMXKMMYIFB-KGLIPLIRSA-N 1 2 294.358 3.257 20 30 CGEDLO C=C[C@H](CC(=O)Nc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000179068667 335471919 /nfs/dbraw/zinc/47/19/19/335471919.db2.gz ZQIXNYRZMYGDEM-CQSZACIVSA-N 1 2 295.386 3.446 20 30 CGEDLO N#CCCC1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000581307587 336044693 /nfs/dbraw/zinc/04/46/93/336044693.db2.gz VQYRTJXWTPOBTF-UHFFFAOYSA-N 1 2 296.418 3.363 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000581588635 336107793 /nfs/dbraw/zinc/10/77/93/336107793.db2.gz LWPAWJTXHDOUKP-UHFFFAOYSA-N 1 2 297.427 3.322 20 30 CGEDLO N#CCn1c(/C=C/c2cccc3[nH+]ccn32)nc2ccccc21 ZINC000352026002 534735808 /nfs/dbraw/zinc/73/58/08/534735808.db2.gz IDYUNJPDFJOOME-CMDGGOBGSA-N 1 2 299.337 3.378 20 30 CGEDLO C=CCN(Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000112348094 526332291 /nfs/dbraw/zinc/33/22/91/526332291.db2.gz ZAMCEWCHLCSWAW-UHFFFAOYSA-N 1 2 295.308 3.423 20 30 CGEDLO CCN(C)c1ccc(CNc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000191841904 527869683 /nfs/dbraw/zinc/86/96/83/527869683.db2.gz SIGMEFBJZSAXKL-UHFFFAOYSA-N 1 2 284.338 3.161 20 30 CGEDLO CCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000352079562 528660861 /nfs/dbraw/zinc/66/08/61/528660861.db2.gz MAKXLIMFLVAQEF-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000352079562 528660865 /nfs/dbraw/zinc/66/08/65/528660865.db2.gz MAKXLIMFLVAQEF-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CC[N@@H+](Cc1ccc(SC)s1)C[C@H](C)C#N ZINC000356080534 528796319 /nfs/dbraw/zinc/79/63/19/528796319.db2.gz DBNHWNSCGKHYQN-SNVBAGLBSA-N 1 2 254.424 3.452 20 30 CGEDLO CC[N@H+](Cc1ccc(SC)s1)C[C@H](C)C#N ZINC000356080534 528796322 /nfs/dbraw/zinc/79/63/22/528796322.db2.gz DBNHWNSCGKHYQN-SNVBAGLBSA-N 1 2 254.424 3.452 20 30 CGEDLO C=CC[N@H+](Cn1ncn(C(C)(C)C)c1=S)C(C)C ZINC000727818773 571771716 /nfs/dbraw/zinc/77/17/16/571771716.db2.gz HTXXTTOHMBAHPX-UHFFFAOYSA-N 1 2 268.430 3.023 20 30 CGEDLO C=CC[N@@H+](Cn1ncn(C(C)(C)C)c1=S)C(C)C ZINC000727818773 571771717 /nfs/dbraw/zinc/77/17/17/571771717.db2.gz HTXXTTOHMBAHPX-UHFFFAOYSA-N 1 2 268.430 3.023 20 30 CGEDLO C#Cc1cccc(N(CC)Cc2cn3ccccc3[nH+]2)c1 ZINC000728573324 571812110 /nfs/dbraw/zinc/81/21/10/571812110.db2.gz MQIPBNOXNHNESB-UHFFFAOYSA-N 1 2 275.355 3.342 20 30 CGEDLO C=C(Br)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729876068 571934900 /nfs/dbraw/zinc/93/49/00/571934900.db2.gz HSPGYYRNLSEBPY-AWEZNQCLSA-N 1 2 296.208 3.359 20 30 CGEDLO C=C(Br)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729876068 571934901 /nfs/dbraw/zinc/93/49/01/571934901.db2.gz HSPGYYRNLSEBPY-AWEZNQCLSA-N 1 2 296.208 3.359 20 30 CGEDLO c1ccc2c(c1)CCC2=NNc1cc[nH+]c2ccccc12 ZINC000730148270 571951049 /nfs/dbraw/zinc/95/10/49/571951049.db2.gz PBJAXPOLBTUKRZ-UHFFFAOYSA-N 1 2 273.339 3.419 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(N2CCCCC2)c(F)c1 ZINC000731156895 572398426 /nfs/dbraw/zinc/39/84/26/572398426.db2.gz OSIAJFCHHCNJSQ-VOTSOKGWSA-N 1 2 299.349 3.435 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cn1c2c(sc1=O)CCCC2 ZINC000739883426 572425902 /nfs/dbraw/zinc/42/59/02/572425902.db2.gz AKAGELZUHMLFBN-UHFFFAOYSA-N 1 2 294.464 3.424 20 30 CGEDLO C=CCCCCC[N@H+](C)Cn1c2c(sc1=O)CCCC2 ZINC000739883426 572425904 /nfs/dbraw/zinc/42/59/04/572425904.db2.gz AKAGELZUHMLFBN-UHFFFAOYSA-N 1 2 294.464 3.424 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740859636 572461821 /nfs/dbraw/zinc/46/18/21/572461821.db2.gz MEXBNYYJMIPNEN-NWDGAFQWSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740859636 572461823 /nfs/dbraw/zinc/46/18/23/572461823.db2.gz MEXBNYYJMIPNEN-NWDGAFQWSA-N 1 2 292.452 3.165 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CCc1ccc(C)c(OC)c1 ZINC000741164898 572485794 /nfs/dbraw/zinc/48/57/94/572485794.db2.gz CPNHFJYSXBWTFP-UNOMPAQXSA-N 1 2 299.370 3.379 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C/c2ccccc2O)c1 ZINC000732926397 572494035 /nfs/dbraw/zinc/49/40/35/572494035.db2.gz OJCCCDGWGROZHI-RNEAKCBISA-N 1 2 269.344 3.451 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)OCCC ZINC000741781232 572527402 /nfs/dbraw/zinc/52/74/02/572527402.db2.gz MLXXZKKFDPLTMR-OAHLLOKOSA-N 1 2 275.392 3.059 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)OCCC ZINC000741781232 572527407 /nfs/dbraw/zinc/52/74/07/572527407.db2.gz MLXXZKKFDPLTMR-OAHLLOKOSA-N 1 2 275.392 3.059 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CC2CCSCC2)c1O ZINC000733205023 572542400 /nfs/dbraw/zinc/54/24/00/572542400.db2.gz HXHGLFFMCVTNQL-WJDWOHSUSA-N 1 2 279.405 3.353 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cccnc2Cl)c1 ZINC000742381974 572572329 /nfs/dbraw/zinc/57/23/29/572572329.db2.gz VPOCMMUXPYTJBP-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO CO[C@H](C)CC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000726428476 572576773 /nfs/dbraw/zinc/57/67/73/572576773.db2.gz BKOMIGNHNJOTDO-PBSOMRJOSA-N 1 2 257.333 3.389 20 30 CGEDLO CCC(CC)(C/[NH+]=C/c1cccc(O)c1O)SC ZINC000743043904 572635546 /nfs/dbraw/zinc/63/55/46/572635546.db2.gz BWCJVVUYYPNWKX-OQLLNIDSSA-N 1 2 267.394 3.439 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC(C2CC2)C2CC2)c1 ZINC000743043813 572635917 /nfs/dbraw/zinc/63/59/17/572635917.db2.gz ASQPOUAWHUCVNU-MFOYZWKCSA-N 1 2 259.349 3.256 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CC[C@@H](SC)C2)c1 ZINC000743043552 572636014 /nfs/dbraw/zinc/63/60/14/572636014.db2.gz WPMQONQJAZLRJD-QWMFHAOCSA-N 1 2 279.405 3.494 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\[C@H]1CCSC1 ZINC000743043807 572636121 /nfs/dbraw/zinc/63/61/21/572636121.db2.gz AMRMQAVPZXAIFT-PFSWGADMSA-N 1 2 257.358 3.470 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000260219597 572854922 /nfs/dbraw/zinc/85/49/22/572854922.db2.gz VZBHFNIOUFYTFG-NSHDSACASA-N 1 2 250.292 3.090 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000260219597 572854925 /nfs/dbraw/zinc/85/49/25/572854925.db2.gz VZBHFNIOUFYTFG-NSHDSACASA-N 1 2 250.292 3.090 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000746457108 572871737 /nfs/dbraw/zinc/87/17/37/572871737.db2.gz XXENKQHJLYLKML-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000746457108 572871740 /nfs/dbraw/zinc/87/17/40/572871740.db2.gz XXENKQHJLYLKML-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000749155531 572989981 /nfs/dbraw/zinc/98/99/81/572989981.db2.gz UHSFPHUFEBJYSY-AWEZNQCLSA-N 1 2 272.392 3.094 20 30 CGEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000749155531 572989982 /nfs/dbraw/zinc/98/99/82/572989982.db2.gz UHSFPHUFEBJYSY-AWEZNQCLSA-N 1 2 272.392 3.094 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2CCC(OC)CC2)c(O)c1 ZINC000749932155 573062627 /nfs/dbraw/zinc/06/26/27/573062627.db2.gz ZWNUIHMCTIWLRO-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO NC(=[NH+]OCCCc1ccccc1)c1ccc(F)cc1 ZINC000749983495 573070137 /nfs/dbraw/zinc/07/01/37/573070137.db2.gz PRKCEUOQHITSLH-UHFFFAOYSA-N 1 2 272.323 3.095 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000934466652 618625909 /nfs/dbraw/zinc/62/59/09/618625909.db2.gz UWGMSSBVRVHRHX-PWSUYJOCSA-N 1 2 252.383 3.001 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC000957071235 613294459 /nfs/dbraw/zinc/29/44/59/613294459.db2.gz PFNIUTMWDVQHAN-NVXWUHKLSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014497 613375415 /nfs/dbraw/zinc/37/54/15/613375415.db2.gz QKUZDVGMOKICMK-ABAIWWIYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014497 613375416 /nfs/dbraw/zinc/37/54/16/613375416.db2.gz QKUZDVGMOKICMK-ABAIWWIYSA-N 1 2 296.842 3.066 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891933749 618393428 /nfs/dbraw/zinc/39/34/28/618393428.db2.gz MVOWJLLBPBPDSA-SECBINFHSA-N 1 2 256.271 3.497 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891933749 618393439 /nfs/dbraw/zinc/39/34/39/618393439.db2.gz MVOWJLLBPBPDSA-SECBINFHSA-N 1 2 256.271 3.497 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000934466652 618625906 /nfs/dbraw/zinc/62/59/06/618625906.db2.gz UWGMSSBVRVHRHX-PWSUYJOCSA-N 1 2 252.383 3.001 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1O ZINC000926838790 618925023 /nfs/dbraw/zinc/92/50/23/618925023.db2.gz UVGDKHZDPMRGCZ-WFASDCNBSA-N 1 2 256.349 3.271 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000926872762 618959607 /nfs/dbraw/zinc/95/96/07/618959607.db2.gz AFDWSOKTILPLDQ-GFCCVEGCSA-N 1 2 261.756 3.006 20 30 CGEDLO COc1ccc2[nH+]ccc(N3CCC[C@@](C)(C#N)C3)c2c1 ZINC000893141636 619004876 /nfs/dbraw/zinc/00/48/76/619004876.db2.gz UOIFWICFJBRRLC-KRWDZBQOSA-N 1 2 281.359 3.373 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(F)c1 ZINC000178967819 619720296 /nfs/dbraw/zinc/72/02/96/619720296.db2.gz KYDYNHRZVZWIRR-BQYQJAHWSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CCC[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000896914302 620098137 /nfs/dbraw/zinc/09/81/37/620098137.db2.gz YURSCKPYGZCZFT-INIZCTEOSA-N 1 2 297.402 3.393 20 30 CGEDLO CCCCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896926793 620104789 /nfs/dbraw/zinc/10/47/89/620104789.db2.gz HLAWSLZBCHLKAC-UHFFFAOYSA-N 1 2 251.374 3.003 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000897070087 620134211 /nfs/dbraw/zinc/13/42/11/620134211.db2.gz BGVBLZNRYMCWAV-CQSZACIVSA-N 1 2 298.777 3.169 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/COc2ccc(C)c(C)c2C1=O ZINC000901477517 620891877 /nfs/dbraw/zinc/89/18/77/620891877.db2.gz KSRSSKABEOQEKJ-QPEQYQDCSA-N 1 2 282.343 3.179 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2cc(F)ccc2C1=O ZINC000901480496 620892176 /nfs/dbraw/zinc/89/21/76/620892176.db2.gz JZNJPMHNIFOWAW-XYOKQWHBSA-N 1 2 270.307 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)c(OC)cc1C ZINC000901488267 620898112 /nfs/dbraw/zinc/89/81/12/620898112.db2.gz CPQLYLFBJAYFCP-VOTSOKGWSA-N 1 2 284.359 3.425 20 30 CGEDLO COc1ccsc1C(=O)/C=C\c1c[nH+]cn1C(C)C ZINC000901490946 620899074 /nfs/dbraw/zinc/89/90/74/620899074.db2.gz QOBJEPVFCJYGCG-PLNGDYQASA-N 1 2 276.361 3.430 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1csc(C(C)C)n1 ZINC000901492067 620899641 /nfs/dbraw/zinc/89/96/41/620899641.db2.gz XVFNOHGGVWCFRB-WAYWQWQTSA-N 1 2 275.377 3.379 20 30 CGEDLO Cc1[nH]c(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)[nH+]c1C ZINC000901500268 620902580 /nfs/dbraw/zinc/90/25/80/620902580.db2.gz PVHLFSOEMZWMGN-GHXNOFRVSA-N 1 2 297.314 3.147 20 30 CGEDLO Cc1[nH]c(/C=C2/C(=O)c3ccccc3[C@H]2C)[nH+]c1C ZINC000901505771 620903844 /nfs/dbraw/zinc/90/38/44/620903844.db2.gz GQPNVHYIGATKOB-MBBDXHFBSA-N 1 2 252.317 3.410 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccc(OC)cc2C[C@@H]1C ZINC000901577501 620943845 /nfs/dbraw/zinc/94/38/45/620943845.db2.gz AMYGEUCAHIGCTG-CHROMADKSA-N 1 2 296.370 3.370 20 30 CGEDLO CCc1nnc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)s1 ZINC000902996957 621522542 /nfs/dbraw/zinc/52/25/42/621522542.db2.gz QUEXJBCOMMTOQA-ZDUSSCGKSA-N 1 2 286.404 3.213 20 30 CGEDLO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000903030803 621535280 /nfs/dbraw/zinc/53/52/80/621535280.db2.gz HBPOWPWUTFPVBH-NSHDSACASA-N 1 2 262.328 3.179 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1cccc(C#N)c1O ZINC000903387301 621727255 /nfs/dbraw/zinc/72/72/55/621727255.db2.gz GQVSFDYGCRBPFU-SWLSCSKDSA-N 1 2 286.375 3.016 20 30 CGEDLO CC[C@@H]([NH2+]C/C=C\Cl)c1cccc(C#N)c1O ZINC000903443772 621755819 /nfs/dbraw/zinc/75/58/19/621755819.db2.gz KUJWAGHMIMDLOE-DJFZKKHWSA-N 1 2 250.729 3.057 20 30 CGEDLO C[C@H](C#N)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904849950 622008115 /nfs/dbraw/zinc/00/81/15/622008115.db2.gz SOMVGYHRSNBGCB-GFCCVEGCSA-N 1 2 251.333 3.442 20 30 CGEDLO Cn1cc(CNc2cc(CC#N)cc[nH+]2)c(C2CCCC2)n1 ZINC000905411465 622069270 /nfs/dbraw/zinc/06/92/70/622069270.db2.gz JILRQIZFVOXHHB-UHFFFAOYSA-N 1 2 295.390 3.151 20 30 CGEDLO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)ccc1OC ZINC000905861534 622118152 /nfs/dbraw/zinc/11/81/52/622118152.db2.gz HYWRGMNEVFFKLX-WFASDCNBSA-N 1 2 289.354 3.319 20 30 CGEDLO Cc1cc(C)c(C(=O)NCC2(C#N)CCCCC2)c(C)[nH+]1 ZINC000912528075 622675782 /nfs/dbraw/zinc/67/57/82/622675782.db2.gz NPJKMZVRIRZDKO-UHFFFAOYSA-N 1 2 285.391 3.211 20 30 CGEDLO COc1ccccc1CC/[NH+]=C/c1ccccc1O ZINC000060805148 623072001 /nfs/dbraw/zinc/07/20/01/623072001.db2.gz WJOXVCQHJPQZEC-SFQUDFHCSA-N 1 2 255.317 3.062 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cccnc1Cl ZINC000061803599 623181418 /nfs/dbraw/zinc/18/14/18/623181418.db2.gz FQYRYAJYWNSRHL-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccnc1Cl ZINC000061803599 623181426 /nfs/dbraw/zinc/18/14/26/623181426.db2.gz FQYRYAJYWNSRHL-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO Cc1cccn2c(/C=C3/COc4ccccc4C3=O)c[nH+]c12 ZINC000172690990 623270791 /nfs/dbraw/zinc/27/07/91/623270791.db2.gz MOUISHRWFZMIIG-LCYFTJDESA-N 1 2 290.322 3.301 20 30 CGEDLO Cc1cccn2c(/C=C3/Cc4ccccc4C3=O)c[nH+]c12 ZINC000172690837 623271874 /nfs/dbraw/zinc/27/18/74/623271874.db2.gz XUHKIMFMDJCMOD-UVTDQMKNSA-N 1 2 274.323 3.465 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983298 623770893 /nfs/dbraw/zinc/77/08/93/623770893.db2.gz OJPSFJNCEBGEBM-HIFRSBDPSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983298 623770898 /nfs/dbraw/zinc/77/08/98/623770898.db2.gz OJPSFJNCEBGEBM-HIFRSBDPSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993784321 624063814 /nfs/dbraw/zinc/06/38/14/624063814.db2.gz CKVGUOGTRKGJIE-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993784321 624063816 /nfs/dbraw/zinc/06/38/16/624063816.db2.gz CKVGUOGTRKGJIE-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO Oc1ccc(/C=[NH+]\CCCC2CCCC2)c(O)c1O ZINC000918154476 624338553 /nfs/dbraw/zinc/33/85/53/624338553.db2.gz OPKKVNIWIGCTNV-YBEGLDIGSA-N 1 2 263.337 3.193 20 30 CGEDLO Cc1ccc2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)C2 ZINC000180313779 624737259 /nfs/dbraw/zinc/73/72/59/624737259.db2.gz AXVCAMJZMUQKQC-SDNWHVSQSA-N 1 2 274.323 3.465 20 30 CGEDLO CCc1nc(C[NH2+]Cc2c(C)cc(C#N)cc2C)co1 ZINC000922163310 625977063 /nfs/dbraw/zinc/97/70/63/625977063.db2.gz MWSPLEROVGTHRV-UHFFFAOYSA-N 1 2 269.348 3.015 20 30 CGEDLO C=CCC1(C(=O)OCc2ccc(N)[nH+]c2)CCCCC1 ZINC000922783570 626045757 /nfs/dbraw/zinc/04/57/57/626045757.db2.gz SEJHAQPNTHCWLG-UHFFFAOYSA-N 1 2 274.364 3.234 20 30 CGEDLO Cc1cccn2c(/C=C3/Cc4cc(O)ccc4C3=O)c[nH+]c12 ZINC000187223166 626173395 /nfs/dbraw/zinc/17/33/95/626173395.db2.gz ANQQFVBLIKKDPV-JYRVWZFOSA-N 1 2 290.322 3.171 20 30 CGEDLO C#CC[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138882 626322475 /nfs/dbraw/zinc/32/24/75/626322475.db2.gz VVLBFDAWVUBREE-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000839138882 626322476 /nfs/dbraw/zinc/32/24/76/626322476.db2.gz VVLBFDAWVUBREE-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000753586827 626457068 /nfs/dbraw/zinc/45/70/68/626457068.db2.gz JTAGQIZMDGMZID-CQSZACIVSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000753586827 626457069 /nfs/dbraw/zinc/45/70/69/626457069.db2.gz JTAGQIZMDGMZID-CQSZACIVSA-N 1 2 264.756 3.171 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1 ZINC000756995823 626746233 /nfs/dbraw/zinc/74/62/33/626746233.db2.gz ARVCUXBEDKZBOC-MRXNPFEDSA-N 1 2 266.344 3.406 20 30 CGEDLO C=C(Br)C[N@@H+]1CCc2cccc(C)c2C1 ZINC000759875587 626929246 /nfs/dbraw/zinc/92/92/46/626929246.db2.gz OSIDYFYCTQHHET-UHFFFAOYSA-N 1 2 266.182 3.262 20 30 CGEDLO C=C(Br)C[N@H+]1CCc2cccc(C)c2C1 ZINC000759875587 626929250 /nfs/dbraw/zinc/92/92/50/626929250.db2.gz OSIDYFYCTQHHET-UHFFFAOYSA-N 1 2 266.182 3.262 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccnc(Cl)c2)ccc1F ZINC000760435032 626969484 /nfs/dbraw/zinc/96/94/84/626969484.db2.gz PXCWTTAVEHOXPO-UHFFFAOYSA-N 1 2 293.729 3.020 20 30 CGEDLO CN(C)c1cc(COc2cc(Cl)ccc2C#N)cc[nH+]1 ZINC000762479868 627112519 /nfs/dbraw/zinc/11/25/19/627112519.db2.gz OAODTYVWFHLAEA-UHFFFAOYSA-N 1 2 287.750 3.252 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc(Br)ccc1F ZINC000763122970 627141332 /nfs/dbraw/zinc/14/13/32/627141332.db2.gz WMDARWBHVFFSTK-ONEGZZNKSA-N 1 2 295.111 3.207 20 30 CGEDLO Cc1cc(CNc2cc(CC#N)cc[nH+]2)cnc1Cl ZINC000767291441 627397049 /nfs/dbraw/zinc/39/70/49/627397049.db2.gz OLVNVLCMVNXDEK-UHFFFAOYSA-N 1 2 272.739 3.117 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000767687008 627428460 /nfs/dbraw/zinc/42/84/60/627428460.db2.gz FFGQXMHPFZLVKB-KKRBAKGGSA-N 1 2 293.366 3.406 20 30 CGEDLO O=C1c2cc(F)ccc2O/C1=C\c1cccc2[nH+]ccn21 ZINC000769609972 627569504 /nfs/dbraw/zinc/56/95/04/627569504.db2.gz KINOUNNCGKJBRC-ZROIWOOFSA-N 1 2 280.258 3.090 20 30 CGEDLO Cc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771100259 627682960 /nfs/dbraw/zinc/68/29/60/627682960.db2.gz XHZXTRJLPJCQPY-UHFFFAOYSA-N 1 2 250.305 3.089 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3/Oc4cc(F)ccc4C3=O)n2c1 ZINC000773172698 627864774 /nfs/dbraw/zinc/86/47/74/627864774.db2.gz OAOUSCXZXMHVQP-VIZOYTHASA-N 1 2 294.285 3.398 20 30 CGEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCc3ccccc32)cc1 ZINC000775682363 628125369 /nfs/dbraw/zinc/12/53/69/628125369.db2.gz WLZJVMZWFXPQTI-QGZVFWFLSA-N 1 2 296.370 3.410 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000776011248 628157233 /nfs/dbraw/zinc/15/72/33/628157233.db2.gz FBFJYSVHHXTVNV-GFCCVEGCSA-N 1 2 290.411 3.322 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000776020339 628158486 /nfs/dbraw/zinc/15/84/86/628158486.db2.gz USRKQDYKQODAOU-UHFFFAOYSA-N 1 2 290.725 3.346 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000776189452 628177939 /nfs/dbraw/zinc/17/79/39/628177939.db2.gz GJAOXPMCHXKNDQ-VOTSOKGWSA-N 1 2 277.327 3.188 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000776189478 628178203 /nfs/dbraw/zinc/17/82/03/628178203.db2.gz HAJYPUZZQUMAPE-SREVYHEPSA-N 1 2 277.327 3.188 20 30 CGEDLO c1ccc2c(c1)COCC2=NNc1cc[nH+]c2ccccc12 ZINC000782231796 628627875 /nfs/dbraw/zinc/62/78/75/628627875.db2.gz RYQQHRCQLNDDPA-UHFFFAOYSA-N 1 2 289.338 3.003 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783663975 628736397 /nfs/dbraw/zinc/73/63/97/628736397.db2.gz HRRAZUCNOILJGU-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000787772360 629028510 /nfs/dbraw/zinc/02/85/10/629028510.db2.gz CSUAFFVJUMOASW-IBGZPJMESA-N 1 2 295.357 3.381 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000787772360 629028513 /nfs/dbraw/zinc/02/85/13/629028513.db2.gz CSUAFFVJUMOASW-IBGZPJMESA-N 1 2 295.357 3.381 20 30 CGEDLO CCCCOc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000789158798 629109240 /nfs/dbraw/zinc/10/92/40/629109240.db2.gz YKMFJRNUKPCBFR-CMDGGOBGSA-N 1 2 270.332 3.485 20 30 CGEDLO COc1ccc(C=NNc2[nH+]ccn2C)c2ccccc12 ZINC000790305282 629202202 /nfs/dbraw/zinc/20/22/02/629202202.db2.gz HTOGKJRMYIXTKB-UHFFFAOYSA-N 1 2 280.331 3.028 20 30 CGEDLO COc1cccc(N=NC(C)C[NH+]2Cc3ccccc3C2)c1 ZINC000792630878 629371736 /nfs/dbraw/zinc/37/17/36/629371736.db2.gz MCTZGHHXBKNKMM-UHFFFAOYSA-N 1 2 295.386 3.499 20 30 CGEDLO O=C1C=C([NH2+]Nc2cc(Cl)cc(Cl)c2)[C@@H]2CCCN12 ZINC000799485609 630189454 /nfs/dbraw/zinc/18/94/54/630189454.db2.gz MBMFNGRNHCFSRM-LBPRGKRZSA-N 1 2 298.173 3.156 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCSCC3)cc2)C1 ZINC000799724115 630225492 /nfs/dbraw/zinc/22/54/92/630225492.db2.gz FFGQLUXZDLHDSU-UKRRQHHQSA-N 1 2 287.432 3.344 20 30 CGEDLO CCCCCCCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333269 630521351 /nfs/dbraw/zinc/52/13/51/630521351.db2.gz XJDDQDWBKVTTOP-OAHLLOKOSA-N 1 2 291.439 3.455 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2c(Cl)cccc2Cl)cn1 ZINC000807976073 630610146 /nfs/dbraw/zinc/61/01/46/630610146.db2.gz FUUJBECYBMNUFO-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000808432225 630644540 /nfs/dbraw/zinc/64/45/40/630644540.db2.gz YBONDYNISHLJLY-SMDDNHRTSA-N 1 2 280.318 3.255 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000876530787 634852089 /nfs/dbraw/zinc/85/20/89/634852089.db2.gz UYBIDCUSFUUZOQ-UHFFFAOYSA-N 1 2 267.323 3.391 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000876530787 634852091 /nfs/dbraw/zinc/85/20/91/634852091.db2.gz UYBIDCUSFUUZOQ-UHFFFAOYSA-N 1 2 267.323 3.391 20 30 CGEDLO C=CCC(F)(F)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000815039740 631706280 /nfs/dbraw/zinc/70/62/80/631706280.db2.gz MEOKRQWSBRQAKI-UHFFFAOYSA-N 1 2 277.274 3.022 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N(C)CC)cc1 ZINC000815120598 631721897 /nfs/dbraw/zinc/72/18/97/631721897.db2.gz KNZACCZGJFDUGX-UHFFFAOYSA-N 1 2 257.381 3.044 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(N(C)CC)cc1 ZINC000815120598 631721900 /nfs/dbraw/zinc/72/19/00/631721900.db2.gz KNZACCZGJFDUGX-UHFFFAOYSA-N 1 2 257.381 3.044 20 30 CGEDLO C=C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816504996 631995504 /nfs/dbraw/zinc/99/55/04/631995504.db2.gz JPVGSZAVPIDVEF-UHFFFAOYSA-N 1 2 255.720 3.337 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819408610 632453118 /nfs/dbraw/zinc/45/31/18/632453118.db2.gz JJPATRSUXWSDGT-SFHVURJKSA-N 1 2 295.386 3.078 20 30 CGEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ncc(C#N)cc1Cl ZINC000866193676 633023454 /nfs/dbraw/zinc/02/34/54/633023454.db2.gz DVXJRZUKWTYQGC-OAHLLOKOSA-N 1 2 298.777 3.205 20 30 CGEDLO C[N@H+]1Cc2ccccc2[C@H]1CNc1ncc(C#N)cc1Cl ZINC000866193676 633023459 /nfs/dbraw/zinc/02/34/59/633023459.db2.gz DVXJRZUKWTYQGC-OAHLLOKOSA-N 1 2 298.777 3.205 20 30 CGEDLO COc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866212667 633031026 /nfs/dbraw/zinc/03/10/26/633031026.db2.gz IUDBXAXDBNTTLM-CYBMUJFWSA-N 1 2 296.370 3.166 20 30 CGEDLO C[C@@H]([NH2+]CC1CCSCC1)c1cccc(C#N)c1O ZINC000866264837 633051116 /nfs/dbraw/zinc/05/11/16/633051116.db2.gz FDEVIJIBOSXMJO-LLVKDONJSA-N 1 2 276.405 3.058 20 30 CGEDLO Cc1cccc(CCC[NH2+][C@@H](C)c2cccc(C#N)c2O)n1 ZINC000866359660 633099607 /nfs/dbraw/zinc/09/96/07/633099607.db2.gz UYSMTZJRLIMPDA-AWEZNQCLSA-N 1 2 295.386 3.251 20 30 CGEDLO Cc1cccnc1CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866366753 633104810 /nfs/dbraw/zinc/10/48/10/633104810.db2.gz BEYRUUNFFTYIFK-AWEZNQCLSA-N 1 2 295.386 3.251 20 30 CGEDLO C[C@@H]([NH2+]CCCc1ccco1)c1cccc(C#N)c1O ZINC000866392181 633119259 /nfs/dbraw/zinc/11/92/59/633119259.db2.gz ZAWWHECHVIVPTD-GFCCVEGCSA-N 1 2 270.332 3.140 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccc(C#N)c1O ZINC000866411584 633127580 /nfs/dbraw/zinc/12/75/80/633127580.db2.gz QEMLGBQOGLOFEG-SMDDNHRTSA-N 1 2 256.349 3.247 20 30 CGEDLO C=CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000826074808 633403552 /nfs/dbraw/zinc/40/35/52/633403552.db2.gz JCMGYIBBKYPMJO-MRXNPFEDSA-N 1 2 297.402 3.355 20 30 CGEDLO COc1cccc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)oc21 ZINC000827650063 633507986 /nfs/dbraw/zinc/50/79/86/633507986.db2.gz NAQPYBNXJAXCNI-MRXNPFEDSA-N 1 2 270.332 3.177 20 30 CGEDLO COc1cccc2cc(C[N@H+]3CC[C@](C)(C#N)C3)oc21 ZINC000827650063 633507987 /nfs/dbraw/zinc/50/79/87/633507987.db2.gz NAQPYBNXJAXCNI-MRXNPFEDSA-N 1 2 270.332 3.177 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](CC3=CCCC3)CCO2)c1 ZINC000828118306 633567321 /nfs/dbraw/zinc/56/73/21/633567321.db2.gz LJTDSEIHLWMHIA-QGZVFWFLSA-N 1 2 268.360 3.042 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](CC3=CCCC3)CCO2)c1 ZINC000828118306 633567324 /nfs/dbraw/zinc/56/73/24/633567324.db2.gz LJTDSEIHLWMHIA-QGZVFWFLSA-N 1 2 268.360 3.042 20 30 CGEDLO N#CCC[N@H+](CCc1cccs1)Cc1ccco1 ZINC000123501945 633709202 /nfs/dbraw/zinc/70/92/02/633709202.db2.gz BPMQUTPDDBRFQL-UHFFFAOYSA-N 1 2 260.362 3.299 20 30 CGEDLO N#CCC[N@@H+](CCc1cccs1)Cc1ccco1 ZINC000123501945 633709205 /nfs/dbraw/zinc/70/92/05/633709205.db2.gz BPMQUTPDDBRFQL-UHFFFAOYSA-N 1 2 260.362 3.299 20 30 CGEDLO C#CCC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000829871832 633805387 /nfs/dbraw/zinc/80/53/87/633805387.db2.gz CBFHCJKDMLRMFF-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO C#CCC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000829871832 633805389 /nfs/dbraw/zinc/80/53/89/633805389.db2.gz CBFHCJKDMLRMFF-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cs1 ZINC000834447076 634170134 /nfs/dbraw/zinc/17/01/34/634170134.db2.gz HOKNKHLAAVWHSB-PLNGDYQASA-N 1 2 292.429 3.471 20 30 CGEDLO CCCc1nc(CO[NH+]=C(N)Cc2ccccc2)cs1 ZINC000101540511 634186711 /nfs/dbraw/zinc/18/67/11/634186711.db2.gz XSLJQXLQXACQCS-UHFFFAOYSA-N 1 2 289.404 3.127 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@H](C)C(C)(C)C)c1=S ZINC000872819264 634213140 /nfs/dbraw/zinc/21/31/40/634213140.db2.gz WOQKINBDWXRRGS-LBPRGKRZSA-N 1 2 296.484 3.480 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@H](C)C(C)(C)C)c1=S ZINC000872819264 634213148 /nfs/dbraw/zinc/21/31/48/634213148.db2.gz WOQKINBDWXRRGS-LBPRGKRZSA-N 1 2 296.484 3.480 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1sc(C)cc1Br ZINC000835048728 634335154 /nfs/dbraw/zinc/33/51/54/634335154.db2.gz LKNHXARSLYLANA-QMMMGPOBSA-N 1 2 272.211 3.273 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1sc(C)cc1Br ZINC000835048728 634335156 /nfs/dbraw/zinc/33/51/56/634335156.db2.gz LKNHXARSLYLANA-QMMMGPOBSA-N 1 2 272.211 3.273 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000876866158 634916937 /nfs/dbraw/zinc/91/69/37/634916937.db2.gz PLHQDVNRTOIQBK-HUUCEWRRSA-N 1 2 287.407 3.263 20 30 CGEDLO Cc1ccc(Br)c(F)c1C[NH2+]CC1(C#N)CC1 ZINC000877494894 635060095 /nfs/dbraw/zinc/06/00/95/635060095.db2.gz VQAWQODHOQKVPS-UHFFFAOYSA-N 1 2 297.171 3.290 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)CSC(C)(C)C)C(=O)OC ZINC000877689708 635147320 /nfs/dbraw/zinc/14/73/20/635147320.db2.gz JGEBRTYZOWNBCR-NEPJUHHUSA-N 1 2 273.442 3.004 20 30 CGEDLO NC(=[NH+]OC[C@@H]1CCCCC1(F)F)c1ccc(F)cc1 ZINC000842019442 635256541 /nfs/dbraw/zinc/25/65/41/635256541.db2.gz OJDMINAIOHCZOM-NSHDSACASA-N 1 2 286.297 3.288 20 30 CGEDLO C=CC[N@@H+](Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC000878341924 635468319 /nfs/dbraw/zinc/46/83/19/635468319.db2.gz KMOSOLWXDMVTSQ-UHFFFAOYSA-N 1 2 260.381 3.340 20 30 CGEDLO C=CC[N@H+](Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC000878341924 635468323 /nfs/dbraw/zinc/46/83/23/635468323.db2.gz KMOSOLWXDMVTSQ-UHFFFAOYSA-N 1 2 260.381 3.340 20 30 CGEDLO CC1(C)CCc2onc(C[N@@H+]3CCC[C@H](CC#N)C3)c2C1 ZINC000878886490 635650462 /nfs/dbraw/zinc/65/04/62/635650462.db2.gz KNZWFXCVJZXPNM-CYBMUJFWSA-N 1 2 287.407 3.315 20 30 CGEDLO CC1(C)CCc2onc(C[N@H+]3CCC[C@H](CC#N)C3)c2C1 ZINC000878886490 635650465 /nfs/dbraw/zinc/65/04/65/635650465.db2.gz KNZWFXCVJZXPNM-CYBMUJFWSA-N 1 2 287.407 3.315 20 30 CGEDLO C#C[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC000879605722 635818376 /nfs/dbraw/zinc/81/83/76/635818376.db2.gz MUNMFHSEHMTFGD-CYBMUJFWSA-N 1 2 273.380 3.176 20 30 CGEDLO C#Cc1cccc(N(C(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)c1 ZINC000844381647 635885992 /nfs/dbraw/zinc/88/59/92/635885992.db2.gz PCBAXYHAMXZWSV-OAHLLOKOSA-N 1 2 295.386 3.257 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@@H](C)CCC#N)C3 ZINC000880369842 635983377 /nfs/dbraw/zinc/98/33/77/635983377.db2.gz REAAEZSUVZGALK-LBPRGKRZSA-N 1 2 283.375 3.227 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@@H](C)CCC#N)C3 ZINC000880369842 635983383 /nfs/dbraw/zinc/98/33/83/635983383.db2.gz REAAEZSUVZGALK-LBPRGKRZSA-N 1 2 283.375 3.227 20 30 CGEDLO Cc1cc(C#N)ccc1NCCCNc1cccc[nH+]1 ZINC000846747946 636222066 /nfs/dbraw/zinc/22/20/66/636222066.db2.gz AXPILMXZUGRWDL-UHFFFAOYSA-N 1 2 266.348 3.176 20 30 CGEDLO CC(C)[C@H](C/[NH+]=C\c1ccccc1O)C(=O)OC(C)(C)C ZINC000846756239 636230832 /nfs/dbraw/zinc/23/08/32/636230832.db2.gz IQJLFYMLQJIJMW-KPYNCUPYSA-N 1 2 291.391 3.425 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000847024380 636315644 /nfs/dbraw/zinc/31/56/44/636315644.db2.gz IPLHZIJSBDULOW-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000847024380 636315649 /nfs/dbraw/zinc/31/56/49/636315649.db2.gz IPLHZIJSBDULOW-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000847024384 636315962 /nfs/dbraw/zinc/31/59/62/636315962.db2.gz IPLHZIJSBDULOW-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000847024384 636315967 /nfs/dbraw/zinc/31/59/67/636315967.db2.gz IPLHZIJSBDULOW-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C ZINC000848416722 636571778 /nfs/dbraw/zinc/57/17/78/636571778.db2.gz VNDDBDUVYUDHMB-DZGCQCFKSA-N 1 2 262.401 3.065 20 30 CGEDLO c1cn(CCCNN=C2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000848418502 636572348 /nfs/dbraw/zinc/57/23/48/636572348.db2.gz ONQMLXLHEGCAML-INIZCTEOSA-N 1 2 282.391 3.187 20 30 CGEDLO c1cn(CCCNN=C(CC2CC2)c2ccccc2)c[nH+]1 ZINC000848418131 636572559 /nfs/dbraw/zinc/57/25/59/636572559.db2.gz KIKLGSOBMADGBB-UHFFFAOYSA-N 1 2 282.391 3.067 20 30 CGEDLO CCC(Cc1ccc(C)cc1)=NNCCCn1cc[nH+]c1 ZINC000848417672 636573204 /nfs/dbraw/zinc/57/32/04/636573204.db2.gz DLKYLKFTPNNBLR-UHFFFAOYSA-N 1 2 284.407 3.180 20 30 CGEDLO Cc1cc(Cl)cc(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848419552 636574250 /nfs/dbraw/zinc/57/42/50/636574250.db2.gz ZBKAMYPNPUITDC-UHFFFAOYSA-N 1 2 290.798 3.167 20 30 CGEDLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C#N)c1 ZINC000883312438 636662337 /nfs/dbraw/zinc/66/23/37/636662337.db2.gz CQKZBEJWYFMBOI-ZDUSSCGKSA-N 1 2 278.359 3.078 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000131657247 636715643 /nfs/dbraw/zinc/71/56/43/636715643.db2.gz QNJIOOFAOYKFDD-UHFFFAOYSA-N 1 2 261.108 3.090 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000883399325 636739873 /nfs/dbraw/zinc/73/98/73/636739873.db2.gz JPKOLXFYZSTEME-GHMZBOCLSA-N 1 2 253.292 3.003 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)cc1F ZINC000851925239 637547806 /nfs/dbraw/zinc/54/78/06/637547806.db2.gz VLTONYHWTFMQGA-SNVBAGLBSA-N 1 2 285.322 3.414 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000852103876 637596977 /nfs/dbraw/zinc/59/69/77/637596977.db2.gz UJQHAAOHQJPVHO-WBMJQRKESA-N 1 2 269.348 3.189 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852319369 637633018 /nfs/dbraw/zinc/63/30/18/637633018.db2.gz LDWDRGPPVRKGTJ-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852319369 637633021 /nfs/dbraw/zinc/63/30/21/637633021.db2.gz LDWDRGPPVRKGTJ-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc3ccccn3c2=S)C1 ZINC000853536241 637864415 /nfs/dbraw/zinc/86/44/15/637864415.db2.gz QMLJLAUFHWKPLR-CYBMUJFWSA-N 1 2 288.420 3.111 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc3ccccn3c2=S)C1 ZINC000853536241 637864419 /nfs/dbraw/zinc/86/44/19/637864419.db2.gz QMLJLAUFHWKPLR-CYBMUJFWSA-N 1 2 288.420 3.111 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@H](C)O1 ZINC000853849371 637940902 /nfs/dbraw/zinc/94/09/02/637940902.db2.gz KLBYWNUFOOAMDJ-LSDHHAIUSA-N 1 2 288.391 3.243 20 30 CGEDLO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000924917004 638424418 /nfs/dbraw/zinc/42/44/18/638424418.db2.gz OLFOQJJDWASMOY-CJNGLKHVSA-N 1 2 289.423 3.035 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc(C#N)c1O ZINC000925087017 638450268 /nfs/dbraw/zinc/45/02/68/638450268.db2.gz AZPZZNVBRWWZDM-UKRRQHHQSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(C#N)c1O ZINC000925218847 638477474 /nfs/dbraw/zinc/47/74/74/638477474.db2.gz QCIROEMCCRMKSA-OCCSQVGLSA-N 1 2 276.405 3.200 20 30 CGEDLO CC[C@H]([NH2+]CC1(C)CCOCC1)c1cccc(C#N)c1O ZINC000925516993 638516937 /nfs/dbraw/zinc/51/69/37/638516937.db2.gz WFFSTOBYBXZKKB-HNNXBMFYSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](C)SC)c1cccc(C#N)c1O ZINC000925600563 638541546 /nfs/dbraw/zinc/54/15/46/638541546.db2.gz HKRDICXDVYRYGB-ZWNOBZJWSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cn(C)cn1 ZINC000925600619 638541815 /nfs/dbraw/zinc/54/18/15/638541815.db2.gz HIWOKQOOXHULEF-ZFWWWQNUSA-N 1 2 268.364 3.116 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000926821605 638815346 /nfs/dbraw/zinc/81/53/46/638815346.db2.gz KNEGUMNQBMKOBP-DZGCQCFKSA-N 1 2 288.391 3.120 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927081956 638839088 /nfs/dbraw/zinc/83/90/88/638839088.db2.gz UXVCTMUPMGFSPG-KRWDZBQOSA-N 1 2 287.407 3.087 20 30 CGEDLO C[C@@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@@H](C)C1(F)F ZINC000859412857 639138307 /nfs/dbraw/zinc/13/83/07/639138307.db2.gz ZEUZVFPBLKJLHH-GHMZBOCLSA-N 1 2 282.309 3.420 20 30 CGEDLO CCCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932152790 639277162 /nfs/dbraw/zinc/27/71/62/639277162.db2.gz UPFGRHKDVRMPMD-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932152790 639277167 /nfs/dbraw/zinc/27/71/67/639277167.db2.gz UPFGRHKDVRMPMD-OAHLLOKOSA-N 1 2 258.365 3.211 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)nc1 ZINC000934343217 639591925 /nfs/dbraw/zinc/59/19/25/639591925.db2.gz IFIAQFCUQQLSTQ-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)nc1 ZINC000934343217 639591928 /nfs/dbraw/zinc/59/19/28/639591928.db2.gz IFIAQFCUQQLSTQ-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007398446 640942609 /nfs/dbraw/zinc/94/26/09/640942609.db2.gz COCFGNDVHWTBJL-GOEBONIOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007398446 640942613 /nfs/dbraw/zinc/94/26/13/640942613.db2.gz COCFGNDVHWTBJL-GOEBONIOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497934 640973971 /nfs/dbraw/zinc/97/39/71/640973971.db2.gz XYJYRGIQDUKCCC-MELADBBJSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497934 640973975 /nfs/dbraw/zinc/97/39/75/640973975.db2.gz XYJYRGIQDUKCCC-MELADBBJSA-N 1 2 298.858 3.002 20 30 CGEDLO CCOc1nccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001250383407 805595536 /nfs/dbraw/zinc/59/55/36/805595536.db2.gz XDGZHMOLEZHBQU-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1nccc(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC001250383407 805595541 /nfs/dbraw/zinc/59/55/41/805595541.db2.gz XDGZHMOLEZHBQU-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO N#Cc1ccccc1-c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001250582705 805707044 /nfs/dbraw/zinc/70/70/44/805707044.db2.gz QLPGHNUWWDCILK-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO Cc1nc(NCCc2ccc(C#N)cc2)cc(C(C)C)[nH+]1 ZINC001156830877 805738277 /nfs/dbraw/zinc/73/82/77/805738277.db2.gz DELJEKDBMIHGQK-UHFFFAOYSA-N 1 2 280.375 3.435 20 30 CGEDLO C[C@@](C#N)(Nc1cc(N)cc[nH+]1)c1ccccc1Cl ZINC001158475726 805959687 /nfs/dbraw/zinc/95/96/87/805959687.db2.gz FCZVDNASAICTTJ-AWEZNQCLSA-N 1 2 272.739 3.168 20 30 CGEDLO C=C[C@](C)(O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001252542916 806059815 /nfs/dbraw/zinc/05/98/15/806059815.db2.gz KDTIHOUIXJTODK-INIZCTEOSA-N 1 2 272.323 3.237 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OCC ZINC001253251790 806196830 /nfs/dbraw/zinc/19/68/30/806196830.db2.gz OQZFBEOOIDFJBR-HOTGVXAUSA-N 1 2 299.455 3.195 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC001160178089 806232592 /nfs/dbraw/zinc/23/25/92/806232592.db2.gz BTYVBNOOXLKJAM-CYBMUJFWSA-N 1 2 298.390 3.281 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC001160178089 806232596 /nfs/dbraw/zinc/23/25/96/806232596.db2.gz BTYVBNOOXLKJAM-CYBMUJFWSA-N 1 2 298.390 3.281 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3ccc(C)c(C#N)n3)c[nH+]c12 ZINC001160683754 806296316 /nfs/dbraw/zinc/29/63/16/806296316.db2.gz RIDYITCPRUIUHL-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO CC[C@H](C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348869 806383508 /nfs/dbraw/zinc/38/35/08/806383508.db2.gz BXHPGGHLEXNKQW-KLAILNCOSA-N 1 2 285.366 3.421 20 30 CGEDLO COc1ncccc1[C@H](Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001161790582 806454253 /nfs/dbraw/zinc/45/42/53/806454253.db2.gz HEWURDVEGNIMCB-MRXNPFEDSA-N 1 2 294.358 3.114 20 30 CGEDLO C=C(CC)CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001161804543 806458001 /nfs/dbraw/zinc/45/80/01/806458001.db2.gz WQWKBAWBHLBSKM-GASCZTMLSA-N 1 2 287.407 3.135 20 30 CGEDLO Cc1c[nH+]c(NC[C@@H]2CCC(C)(C)C2)c(/C=N/O)c1 ZINC001162123714 806508380 /nfs/dbraw/zinc/50/83/80/806508380.db2.gz ZKYNDWLKEMHELY-SGEFVQMOSA-N 1 2 261.369 3.436 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255175498 806569256 /nfs/dbraw/zinc/56/92/56/806569256.db2.gz POGOSPQQTXFCLN-QWHCGFSZSA-N 1 2 276.384 3.065 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255175498 806569264 /nfs/dbraw/zinc/56/92/64/806569264.db2.gz POGOSPQQTXFCLN-QWHCGFSZSA-N 1 2 276.384 3.065 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001255175968 806570739 /nfs/dbraw/zinc/57/07/39/806570739.db2.gz UDGGTUACASFSPG-CVEARBPZSA-N 1 2 283.375 3.094 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001255175968 806570743 /nfs/dbraw/zinc/57/07/43/806570743.db2.gz UDGGTUACASFSPG-CVEARBPZSA-N 1 2 283.375 3.094 20 30 CGEDLO C=CCN(c1nc2ccccc2n2c[nH+]cc12)C1CC1 ZINC001162916243 806684985 /nfs/dbraw/zinc/68/49/85/806684985.db2.gz NKRYVIAKPNTBNR-UHFFFAOYSA-N 1 2 264.332 3.037 20 30 CGEDLO CC(=O)Nc1ccc([C@H](C)Nc2cc(CC#N)cc[nH+]2)cc1 ZINC001163150373 806708440 /nfs/dbraw/zinc/70/84/40/806708440.db2.gz DYHRKWXBYFBTMM-LBPRGKRZSA-N 1 2 294.358 3.279 20 30 CGEDLO COc1ccc(OC)c(C[N@H+](CCC#N)CC(C)C)c1 ZINC000395438768 799505619 /nfs/dbraw/zinc/50/56/19/799505619.db2.gz QJAWDVHQIJKLLY-UHFFFAOYSA-N 1 2 276.380 3.075 20 30 CGEDLO COc1ccc(OC)c(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000395438768 799505627 /nfs/dbraw/zinc/50/56/27/799505627.db2.gz QJAWDVHQIJKLLY-UHFFFAOYSA-N 1 2 276.380 3.075 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CSC(C)(C)C)C(=O)OCC ZINC001255854922 806770249 /nfs/dbraw/zinc/77/02/49/806770249.db2.gz XLHDSSKXLJMJBA-NEPJUHHUSA-N 1 2 273.442 3.004 20 30 CGEDLO C=C(Br)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000697659973 799848746 /nfs/dbraw/zinc/84/87/46/799848746.db2.gz HFBNLVMJEXAVCY-QMMMGPOBSA-N 1 2 254.118 3.015 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000697659973 799848754 /nfs/dbraw/zinc/84/87/54/799848754.db2.gz HFBNLVMJEXAVCY-QMMMGPOBSA-N 1 2 254.118 3.015 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001031112363 800904072 /nfs/dbraw/zinc/90/40/72/800904072.db2.gz UZSKBJQMBUZEDK-GJZGRUSLSA-N 1 2 292.467 3.215 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001031787716 800914966 /nfs/dbraw/zinc/91/49/66/800914966.db2.gz ICAMTIMZXXRSKQ-GJZGRUSLSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034085796 801002469 /nfs/dbraw/zinc/00/24/69/801002469.db2.gz PPFNIXNVYROKAR-GFCCVEGCSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034085796 801002473 /nfs/dbraw/zinc/00/24/73/801002473.db2.gz PPFNIXNVYROKAR-GFCCVEGCSA-N 1 2 298.839 3.085 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc(C)c3ccccc23)C1 ZINC001043975775 801225499 /nfs/dbraw/zinc/22/54/99/801225499.db2.gz FOIGKBOXPQGYOH-UHFFFAOYSA-N 1 2 294.398 3.090 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2sccc2C)C1 ZINC001046105034 801298390 /nfs/dbraw/zinc/29/83/90/801298390.db2.gz XTILQFXTEUGTEL-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2sccc2C)C1 ZINC001046105034 801298392 /nfs/dbraw/zinc/29/83/92/801298392.db2.gz XTILQFXTEUGTEL-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046550766 801314234 /nfs/dbraw/zinc/31/42/34/801314234.db2.gz JJCMNMUGNBVMJF-XJKSGUPXSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046550766 801314244 /nfs/dbraw/zinc/31/42/44/801314244.db2.gz JJCMNMUGNBVMJF-XJKSGUPXSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071476372 801538916 /nfs/dbraw/zinc/53/89/16/801538916.db2.gz FWPLMYQMPPVNIV-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071476372 801538920 /nfs/dbraw/zinc/53/89/20/801538920.db2.gz FWPLMYQMPPVNIV-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501876 801541460 /nfs/dbraw/zinc/54/14/60/801541460.db2.gz VXFSOFZFRVKOED-IUODEOHRSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501876 801541465 /nfs/dbraw/zinc/54/14/65/801541465.db2.gz VXFSOFZFRVKOED-IUODEOHRSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071752623 801548763 /nfs/dbraw/zinc/54/87/63/801548763.db2.gz KJANHQBNLMRYFH-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071752623 801548771 /nfs/dbraw/zinc/54/87/71/801548771.db2.gz KJANHQBNLMRYFH-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109631463 802121100 /nfs/dbraw/zinc/12/11/00/802121100.db2.gz CHXFXIDXSIBVIW-ATGSNQNLSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109631463 802121104 /nfs/dbraw/zinc/12/11/04/802121104.db2.gz CHXFXIDXSIBVIW-ATGSNQNLSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001110380494 802138941 /nfs/dbraw/zinc/13/89/41/802138941.db2.gz WYSSAWSODYGHMO-NGFQHRJXSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001110380494 802138945 /nfs/dbraw/zinc/13/89/45/802138945.db2.gz WYSSAWSODYGHMO-NGFQHRJXSA-N 1 2 298.858 3.143 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C(=O)OCC ZINC001116775655 802409025 /nfs/dbraw/zinc/40/90/25/802409025.db2.gz POGZFASGIFLYET-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C(=O)OCC ZINC001116775658 802409215 /nfs/dbraw/zinc/40/92/15/802409215.db2.gz POGZFASGIFLYET-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(F)cc1F ZINC001117392622 802464676 /nfs/dbraw/zinc/46/46/76/802464676.db2.gz TWGIMWNTCNASKI-YVMONPNESA-N 1 2 288.297 3.322 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC1CCOCC1 ZINC001118589547 802587483 /nfs/dbraw/zinc/58/74/83/802587483.db2.gz KZLWNDLBUBWZQA-UHFFFAOYSA-N 1 2 288.391 3.102 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001123551548 802953340 /nfs/dbraw/zinc/95/33/40/802953340.db2.gz JILVYZYUAAVPHF-JKSUJKDBSA-N 1 2 295.386 3.086 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc3c2CCN3)cc1C#N ZINC001243853976 803051891 /nfs/dbraw/zinc/05/18/91/803051891.db2.gz NATQEJSKRHZXQV-CIAFOILYSA-N 1 2 290.370 3.415 20 30 CGEDLO C#C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001130119537 803268901 /nfs/dbraw/zinc/26/89/01/803268901.db2.gz VCAXTIXKNVUIFX-INIZCTEOSA-N 1 2 278.355 3.111 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132064698 803371351 /nfs/dbraw/zinc/37/13/51/803371351.db2.gz MUYDOGSRDKNTJN-ZIAGYGMSSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132064698 803371360 /nfs/dbraw/zinc/37/13/60/803371360.db2.gz MUYDOGSRDKNTJN-ZIAGYGMSSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132228275 803383078 /nfs/dbraw/zinc/38/30/78/803383078.db2.gz OJBVTNCDECQDKC-ACCWSSFSSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132228275 803383084 /nfs/dbraw/zinc/38/30/84/803383084.db2.gz OJBVTNCDECQDKC-ACCWSSFSSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132228278 803384378 /nfs/dbraw/zinc/38/43/78/803384378.db2.gz OJBVTNCDECQDKC-SYGOVTOWSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132228278 803384387 /nfs/dbraw/zinc/38/43/87/803384387.db2.gz OJBVTNCDECQDKC-SYGOVTOWSA-N 1 2 296.842 3.230 20 30 CGEDLO N#Cc1c(Cl)cccc1-c1[nH+]ccc2c1CCN2 ZINC001244715478 803510609 /nfs/dbraw/zinc/51/06/09/803510609.db2.gz ANVOYAPCARAKOH-UHFFFAOYSA-N 1 2 255.708 3.242 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC001137167129 803692612 /nfs/dbraw/zinc/69/26/12/803692612.db2.gz WWMFWKNWCIXNIY-UHFFFAOYSA-N 1 2 251.761 3.251 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC001137167129 803692614 /nfs/dbraw/zinc/69/26/14/803692614.db2.gz WWMFWKNWCIXNIY-UHFFFAOYSA-N 1 2 251.761 3.251 20 30 CGEDLO COc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)c(C#N)c1 ZINC001137699439 803760916 /nfs/dbraw/zinc/76/09/16/803760916.db2.gz ICQRERYGTBRYIP-INIZCTEOSA-N 1 2 276.355 3.281 20 30 CGEDLO COc1ccc(C[N@H+]2CCCC[C@](C)(F)C2)c(C#N)c1 ZINC001137699439 803760919 /nfs/dbraw/zinc/76/09/19/803760919.db2.gz ICQRERYGTBRYIP-INIZCTEOSA-N 1 2 276.355 3.281 20 30 CGEDLO COc1cccc(C[N@H+](C)Cc2ccc(OC)cc2C#N)c1 ZINC001137703021 803761333 /nfs/dbraw/zinc/76/13/33/803761333.db2.gz AJCKFSAGTNYEGS-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO COc1cccc(C[N@@H+](C)Cc2ccc(OC)cc2C#N)c1 ZINC001137703021 803761338 /nfs/dbraw/zinc/76/13/38/803761338.db2.gz AJCKFSAGTNYEGS-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO Cc1cc(-c2ccc(C3(C#N)CCOCC3)cc2)c[nH+]c1N ZINC001245536841 803794715 /nfs/dbraw/zinc/79/47/15/803794715.db2.gz MUAJDMQNEPECOO-UHFFFAOYSA-N 1 2 293.370 3.211 20 30 CGEDLO Cc1cc(-c2cccc(C3(C#N)CCOCC3)c2)c[nH+]c1N ZINC001245539411 803798222 /nfs/dbraw/zinc/79/82/22/803798222.db2.gz LNJWMULEUMUMGM-UHFFFAOYSA-N 1 2 293.370 3.211 20 30 CGEDLO Cc1cc(-c2ccc3cc(C#N)cnc3c2)c[nH+]c1N ZINC001245540099 803798693 /nfs/dbraw/zinc/79/86/93/803798693.db2.gz NJPZXWXMXOSNQG-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO Cc1cc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)c[nH+]c1N ZINC001245540656 803799720 /nfs/dbraw/zinc/79/97/20/803799720.db2.gz XRBBFBQYRWYSJK-CGOBSMCZSA-N 1 2 295.264 3.466 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138005368 803820009 /nfs/dbraw/zinc/82/00/09/803820009.db2.gz ZFDKYQMTNQDIGP-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001138005368 803820020 /nfs/dbraw/zinc/82/00/20/803820020.db2.gz ZFDKYQMTNQDIGP-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cnn(CCC)c1C ZINC001138638609 803989718 /nfs/dbraw/zinc/98/97/18/803989718.db2.gz XYUOIXDYNDCBDX-UHFFFAOYSA-N 1 2 262.401 3.117 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cnn(CCC)c1C ZINC001138638609 803989728 /nfs/dbraw/zinc/98/97/28/803989728.db2.gz XYUOIXDYNDCBDX-UHFFFAOYSA-N 1 2 262.401 3.117 20 30 CGEDLO N#Cc1ccc(NC(=S)Nc2cccc3[nH+]ccn32)cc1 ZINC001245874807 804006250 /nfs/dbraw/zinc/00/62/50/804006250.db2.gz KMECEWWSYJTVTR-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001138721514 804017215 /nfs/dbraw/zinc/01/72/15/804017215.db2.gz XBSDCOHEHFBOPR-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC001138820786 804047705 /nfs/dbraw/zinc/04/77/05/804047705.db2.gz TUGGXMYZUZUCGN-UHFFFAOYSA-N 1 2 251.761 3.251 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC001138820786 804047713 /nfs/dbraw/zinc/04/77/13/804047713.db2.gz TUGGXMYZUZUCGN-UHFFFAOYSA-N 1 2 251.761 3.251 20 30 CGEDLO SC1CC[NH+](Cc2cc(Cl)cnc2Cl)CC1 ZINC001139355112 804181532 /nfs/dbraw/zinc/18/15/32/804181532.db2.gz LVAIJRAYKHUENY-UHFFFAOYSA-N 1 2 277.220 3.283 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001139691962 804255779 /nfs/dbraw/zinc/25/57/79/804255779.db2.gz LGNMDNPCWAASLL-ZDUSSCGKSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001139691962 804255783 /nfs/dbraw/zinc/25/57/83/804255783.db2.gz LGNMDNPCWAASLL-ZDUSSCGKSA-N 1 2 282.721 3.443 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c(F)c1F ZINC001140892424 804541582 /nfs/dbraw/zinc/54/15/82/804541582.db2.gz MLCPYRJXKSDIRC-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnccc2C(F)(F)F)CC1 ZINC001140920286 804548833 /nfs/dbraw/zinc/54/88/33/804548833.db2.gz PODDPRIDSOZTOW-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1ncc(Cl)nc1Cl ZINC001141138282 804597000 /nfs/dbraw/zinc/59/70/00/804597000.db2.gz HTZULXMCFFFKQY-UHFFFAOYSA-N 1 2 260.168 3.181 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1ncc(Cl)nc1Cl ZINC001141138282 804597006 /nfs/dbraw/zinc/59/70/06/804597006.db2.gz HTZULXMCFFFKQY-UHFFFAOYSA-N 1 2 260.168 3.181 20 30 CGEDLO COc1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001141220034 804613127 /nfs/dbraw/zinc/61/31/27/804613127.db2.gz HPAVYEVMJMCAJL-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1F ZINC001141220034 804613131 /nfs/dbraw/zinc/61/31/31/804613131.db2.gz HPAVYEVMJMCAJL-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccsc1C[N@H+](CCC#N)C1CCCC1 ZINC001141324607 804631671 /nfs/dbraw/zinc/63/16/71/804631671.db2.gz MLEOHKAJLFUMSU-UHFFFAOYSA-N 1 2 264.394 3.415 20 30 CGEDLO COc1ccsc1C[N@@H+](CCC#N)C1CCCC1 ZINC001141324607 804631677 /nfs/dbraw/zinc/63/16/77/804631677.db2.gz MLEOHKAJLFUMSU-UHFFFAOYSA-N 1 2 264.394 3.415 20 30 CGEDLO CCCCCCCCNC(=S)NCCCn1cc[nH+]c1 ZINC001247128318 804666800 /nfs/dbraw/zinc/66/68/00/804666800.db2.gz SDXJCGANBUZVRZ-UHFFFAOYSA-N 1 2 296.484 3.098 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1cnc(SC)nc1Cl ZINC001142431574 804723143 /nfs/dbraw/zinc/72/31/43/804723143.db2.gz GWKXBGKEABDZRP-UHFFFAOYSA-N 1 2 271.817 3.250 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1cnc(SC)nc1Cl ZINC001142431574 804723147 /nfs/dbraw/zinc/72/31/47/804723147.db2.gz GWKXBGKEABDZRP-UHFFFAOYSA-N 1 2 271.817 3.250 20 30 CGEDLO C=C1CC(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001247742169 804812316 /nfs/dbraw/zinc/81/23/16/804812316.db2.gz GZIZVJYIVLXBLE-UHFFFAOYSA-N 1 2 278.315 3.356 20 30 CGEDLO C[C@]1(CF)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164887 804814655 /nfs/dbraw/zinc/81/46/55/804814655.db2.gz QKQZMMPAUNJTLZ-CQSZACIVSA-N 1 2 268.282 3.018 20 30 CGEDLO C[C@]1(CF)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143164887 804814659 /nfs/dbraw/zinc/81/46/59/804814659.db2.gz QKQZMMPAUNJTLZ-CQSZACIVSA-N 1 2 268.282 3.018 20 30 CGEDLO COc1c(F)cccc1C[N@H+](CCC#N)C1CCCC1 ZINC001143532721 804861994 /nfs/dbraw/zinc/86/19/94/804861994.db2.gz JSJPTZMOWLRGCS-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO COc1c(F)cccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001143532721 804862000 /nfs/dbraw/zinc/86/20/00/804862000.db2.gz JSJPTZMOWLRGCS-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO Cc1cc(Br)cc(C[N@H+](C)CCC#N)c1 ZINC001144212643 804955876 /nfs/dbraw/zinc/95/58/76/804955876.db2.gz BFUMXTRLEUPFNP-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1cc(Br)cc(C[N@@H+](C)CCC#N)c1 ZINC001144212643 804955882 /nfs/dbraw/zinc/95/58/82/804955882.db2.gz BFUMXTRLEUPFNP-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1cccc(C#N)c1SCc1ccc[nH+]c1N ZINC001166744955 807091022 /nfs/dbraw/zinc/09/10/22/807091022.db2.gz CICGMBVTZSRQST-UHFFFAOYSA-N 1 2 255.346 3.136 20 30 CGEDLO CCCC(CCC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257338117 807113556 /nfs/dbraw/zinc/11/35/56/807113556.db2.gz ROOSQRJUZILTJQ-CYBMUJFWSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC(CCC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257338117 807113559 /nfs/dbraw/zinc/11/35/59/807113559.db2.gz ROOSQRJUZILTJQ-CYBMUJFWSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC[C@@H](CC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257418467 807146157 /nfs/dbraw/zinc/14/61/57/807146157.db2.gz DKMIPSBJGNMVDG-OLZOCXBDSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC[C@@H](CC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257418467 807146159 /nfs/dbraw/zinc/14/61/59/807146159.db2.gz DKMIPSBJGNMVDG-OLZOCXBDSA-N 1 2 253.411 3.229 20 30 CGEDLO COc1c[nH+]c(NCc2ccccc2C#N)c2[nH]ccc21 ZINC001167633049 807219761 /nfs/dbraw/zinc/21/97/61/807219761.db2.gz GEWTWQLJWQOBBC-UHFFFAOYSA-N 1 2 278.315 3.055 20 30 CGEDLO CC(C)OC1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001257883255 807236589 /nfs/dbraw/zinc/23/65/89/807236589.db2.gz UPEZHTLYDYLEIQ-SHARSMKWSA-N 1 2 250.386 3.101 20 30 CGEDLO CC(C)OC1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001257883255 807236592 /nfs/dbraw/zinc/23/65/92/807236592.db2.gz UPEZHTLYDYLEIQ-SHARSMKWSA-N 1 2 250.386 3.101 20 30 CGEDLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1CC[C@H](C#N)CC1 ZINC001167844514 807261736 /nfs/dbraw/zinc/26/17/36/807261736.db2.gz QNMYWABGDANSIX-AULYBMBSSA-N 1 2 286.379 3.165 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCC=C(C)C)C(=O)OCC ZINC001258083631 807297446 /nfs/dbraw/zinc/29/74/46/807297446.db2.gz MGVVBKNQYALBQS-LZWOXQAQSA-N 1 2 265.397 3.219 20 30 CGEDLO CCCCC(CCCC)[NH2+][C@@H](CS)C(=O)OCC ZINC001258382861 807434702 /nfs/dbraw/zinc/43/47/02/807434702.db2.gz SNVMXGSOVXBVIP-ZDUSSCGKSA-N 1 2 275.458 3.187 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518969 807484169 /nfs/dbraw/zinc/48/41/69/807484169.db2.gz KVDTTYGUEGXZOV-MRXNPFEDSA-N 1 2 294.439 3.226 20 30 CGEDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)ccc1CC#N ZINC001169005121 807550643 /nfs/dbraw/zinc/55/06/43/807550643.db2.gz XLTVSQRMRBVGGB-UHFFFAOYSA-N 1 2 290.370 3.363 20 30 CGEDLO N#CCc1cc(F)cc(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169010071 807551220 /nfs/dbraw/zinc/55/12/20/807551220.db2.gz ZKNUPYWSSPIALX-UHFFFAOYSA-N 1 2 294.333 3.194 20 30 CGEDLO C=CCCCNc1[nH+]cccc1CC(=O)OC(C)(C)C ZINC001170298644 807819977 /nfs/dbraw/zinc/81/99/77/807819977.db2.gz IDXQJCUKJMCGPC-UHFFFAOYSA-N 1 2 276.380 3.344 20 30 CGEDLO COC(=[NH2+])c1cccc(NCC#Cc2ccccc2)c1 ZINC001170429489 807840550 /nfs/dbraw/zinc/84/05/50/807840550.db2.gz GFLQNAMFTFIGDE-UHFFFAOYSA-N 1 2 264.328 3.122 20 30 CGEDLO N#C[C@@H]1CC=C(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001212861759 815163647 /nfs/dbraw/zinc/16/36/47/815163647.db2.gz ZSRPQDVQVQUEKG-CYBMUJFWSA-N 1 2 264.332 3.492 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H](CC)CCCC ZINC001171800151 808143386 /nfs/dbraw/zinc/14/33/86/808143386.db2.gz YXJVKNXYFWVINH-OAHLLOKOSA-N 1 2 281.440 3.480 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](CC)CCCC ZINC001171800151 808143388 /nfs/dbraw/zinc/14/33/88/808143388.db2.gz YXJVKNXYFWVINH-OAHLLOKOSA-N 1 2 281.440 3.480 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721235 808419032 /nfs/dbraw/zinc/41/90/32/808419032.db2.gz DJQHSWZBCQMFQD-XHDPSFHLSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721235 808419038 /nfs/dbraw/zinc/41/90/38/808419038.db2.gz DJQHSWZBCQMFQD-XHDPSFHLSA-N 1 2 260.768 3.043 20 30 CGEDLO N#Cc1cccc(Nc2cccc3[nH+]c[nH]c32)c1F ZINC001213031879 815205997 /nfs/dbraw/zinc/20/59/97/815205997.db2.gz QLZLMHJJJVDMIS-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001172857544 808465149 /nfs/dbraw/zinc/46/51/49/808465149.db2.gz WOMZHJWKJOFXCO-YGRLFVJLSA-N 1 2 299.773 3.117 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172952280 808494591 /nfs/dbraw/zinc/49/45/91/808494591.db2.gz FVANVQUJMLJHQP-CZUORRHYSA-N 1 2 297.443 3.160 20 30 CGEDLO CCCC[C@H](CC(C)C)[NH2+][C@@H](CS)C(=O)OCC ZINC001173246242 808553406 /nfs/dbraw/zinc/55/34/06/808553406.db2.gz NBGJLGWXEYDPIY-OLZOCXBDSA-N 1 2 275.458 3.042 20 30 CGEDLO N#Cc1cn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c2cc(N)ccc12 ZINC001213091155 815231240 /nfs/dbraw/zinc/23/12/40/815231240.db2.gz YTJVDEGKMBRAAG-UHFFFAOYSA-N 1 2 299.337 3.474 20 30 CGEDLO Cc1nc(C#N)c(N=C2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC001174394339 808992529 /nfs/dbraw/zinc/99/25/29/808992529.db2.gz GIBIVHBRERFAFA-UHFFFAOYSA-N 1 2 294.358 3.056 20 30 CGEDLO Cc1nc(C#N)c(N=C2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001174394339 808992535 /nfs/dbraw/zinc/99/25/35/808992535.db2.gz GIBIVHBRERFAFA-UHFFFAOYSA-N 1 2 294.358 3.056 20 30 CGEDLO Cc1ncc(C#N)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174522433 809059596 /nfs/dbraw/zinc/05/95/96/809059596.db2.gz LCNREEPLOUMUSB-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO C=C(C)Nc1cc[nH+]c2ccc(Br)cc12 ZINC001174788847 809163872 /nfs/dbraw/zinc/16/38/72/809163872.db2.gz VZGUVSGXAADZKB-UHFFFAOYSA-N 1 2 263.138 3.365 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001279661547 809177489 /nfs/dbraw/zinc/17/74/89/809177489.db2.gz SMCCLBMOGMCCCN-TZMCWYRMSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001279661547 809177494 /nfs/dbraw/zinc/17/74/94/809177494.db2.gz SMCCLBMOGMCCCN-TZMCWYRMSA-N 1 2 298.858 3.169 20 30 CGEDLO CN(C)c1ccc(Nc2ccc(F)c(CC#N)c2)c[nH+]1 ZINC001175343213 809368135 /nfs/dbraw/zinc/36/81/35/809368135.db2.gz AFNYRRBHCKWBBC-UHFFFAOYSA-N 1 2 270.311 3.096 20 30 CGEDLO C#Cc1cc(Nc2ccc(-c3cccnc3)cc2)cc[nH+]1 ZINC001175887271 809564815 /nfs/dbraw/zinc/56/48/15/809564815.db2.gz BDEFNZICLXLALC-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO COc1cc[nH+]cc1Nc1sc2c(c1C#N)CCC2 ZINC001176117102 809626115 /nfs/dbraw/zinc/62/61/15/809626115.db2.gz REWWODFTOHQOJI-UHFFFAOYSA-N 1 2 271.345 3.256 20 30 CGEDLO COc1cc[nH+]cc1Nc1c(C#N)oc2ccccc21 ZINC001176118624 809626620 /nfs/dbraw/zinc/62/66/20/809626620.db2.gz OGOZYJBWHVPFKQ-UHFFFAOYSA-N 1 2 265.272 3.452 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC001176750732 809757883 /nfs/dbraw/zinc/75/78/83/809757883.db2.gz KEVGCXZHOQXCRI-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO CCOc1ccc(Cl)cc1C[NH2+]CC(C)(C)C#N ZINC001179771678 809943211 /nfs/dbraw/zinc/94/32/11/809943211.db2.gz KSVNUUAEIJSWLT-UHFFFAOYSA-N 1 2 266.772 3.378 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(Cl)n1C)c1ccc(Cl)cc1 ZINC001182152193 810095138 /nfs/dbraw/zinc/09/51/38/810095138.db2.gz KMPUAMRWIZNRIX-ZDUSSCGKSA-N 1 2 294.185 3.191 20 30 CGEDLO CCCn1cc(C[N@H+](C)Cc2cc(C#N)cs2)c(C)n1 ZINC001184035903 810175510 /nfs/dbraw/zinc/17/55/10/810175510.db2.gz RPABSGAKSRXYAP-UHFFFAOYSA-N 1 2 288.420 3.167 20 30 CGEDLO CCCn1cc(C[N@@H+](C)Cc2cc(C#N)cs2)c(C)n1 ZINC001184035903 810175512 /nfs/dbraw/zinc/17/55/12/810175512.db2.gz RPABSGAKSRXYAP-UHFFFAOYSA-N 1 2 288.420 3.167 20 30 CGEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2cc(C)ccc2C)CC1 ZINC001198467676 811507603 /nfs/dbraw/zinc/50/76/03/811507603.db2.gz OTOYOTDNNKUZKB-QGZVFWFLSA-N 1 2 287.403 3.210 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(OC(C)C)c2F)cc[nH+]1 ZINC001215170817 815490495 /nfs/dbraw/zinc/49/04/95/815490495.db2.gz ZEVPWZKRIGIEOG-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO CNc1ccc(Nc2sc3c(c2C#N)CCC3)c[nH+]1 ZINC001203448854 812360032 /nfs/dbraw/zinc/36/00/32/812360032.db2.gz NQXVIADXANULBF-UHFFFAOYSA-N 1 2 270.361 3.289 20 30 CGEDLO CNc1ccc(Nc2ccc(F)c(C#N)c2F)c[nH+]1 ZINC001203458631 812367539 /nfs/dbraw/zinc/36/75/39/812367539.db2.gz QADRTUKTHJACRB-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001203617207 812408378 /nfs/dbraw/zinc/40/83/78/812408378.db2.gz LXDCNHJBSOFRKW-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)c(O)c1 ZINC001203617207 812408380 /nfs/dbraw/zinc/40/83/80/812408380.db2.gz LXDCNHJBSOFRKW-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2cnc(C#N)c(Cl)c2)c1 ZINC001203658100 812419441 /nfs/dbraw/zinc/41/94/41/812419441.db2.gz WKCOKGLWBSGCJL-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2cc(Cl)cnc2C#N)c1 ZINC001203661701 812420790 /nfs/dbraw/zinc/42/07/90/812420790.db2.gz ZEBURVUTSWIVFB-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO C[C@H]1C(=O)CC[N@H+](Cc2ccccc2C#N)C12CCCC2 ZINC001204375315 812622650 /nfs/dbraw/zinc/62/26/50/812622650.db2.gz XVLYKWTZIIYPGO-AWEZNQCLSA-N 1 2 282.387 3.282 20 30 CGEDLO C[C@H]1C(=O)CC[N@@H+](Cc2ccccc2C#N)C12CCCC2 ZINC001204375315 812622654 /nfs/dbraw/zinc/62/26/54/812622654.db2.gz XVLYKWTZIIYPGO-AWEZNQCLSA-N 1 2 282.387 3.282 20 30 CGEDLO Cc1cc(C#N)c(Nc2ccn3cc[nH+]c3c2)s1 ZINC001204951687 812794279 /nfs/dbraw/zinc/79/42/79/812794279.db2.gz WVPMPTHSBRVEJZ-UHFFFAOYSA-N 1 2 254.318 3.320 20 30 CGEDLO C#CC[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OC ZINC001206231898 813248411 /nfs/dbraw/zinc/24/84/11/813248411.db2.gz COUBLQNOIDLIKX-VMWRSERWSA-N 1 2 299.414 3.115 20 30 CGEDLO C=CCN(CC[N@H+](CCC)CCC#N)C(=O)OC(C)(C)C ZINC001207205255 813515549 /nfs/dbraw/zinc/51/55/49/813515549.db2.gz IGXMDXDMVCXDTI-UHFFFAOYSA-N 1 2 295.427 3.035 20 30 CGEDLO C=CCN(CC[N@@H+](CCC)CCC#N)C(=O)OC(C)(C)C ZINC001207205255 813515555 /nfs/dbraw/zinc/51/55/55/813515555.db2.gz IGXMDXDMVCXDTI-UHFFFAOYSA-N 1 2 295.427 3.035 20 30 CGEDLO O=C1C=C2C[N@@H+](CCC3CCCCC3)CC[C@@H]2S1 ZINC001207257269 813521362 /nfs/dbraw/zinc/52/13/62/813521362.db2.gz TUCVNZBDLXWPTC-AWEZNQCLSA-N 1 2 265.422 3.231 20 30 CGEDLO O=C1C=C2C[N@H+](CCC3CCCCC3)CC[C@@H]2S1 ZINC001207257269 813521371 /nfs/dbraw/zinc/52/13/71/813521371.db2.gz TUCVNZBDLXWPTC-AWEZNQCLSA-N 1 2 265.422 3.231 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209281807 813992856 /nfs/dbraw/zinc/99/28/56/813992856.db2.gz IAGWYLBNUMKFGX-CQSZACIVSA-N 1 2 282.309 3.483 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209281807 813992859 /nfs/dbraw/zinc/99/28/59/813992859.db2.gz IAGWYLBNUMKFGX-CQSZACIVSA-N 1 2 282.309 3.483 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)cc2OC)cc[nH+]1 ZINC001209880028 814185137 /nfs/dbraw/zinc/18/51/37/814185137.db2.gz CJKXUWKTNKXOQT-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO N#Cc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001209927095 814202134 /nfs/dbraw/zinc/20/21/34/814202134.db2.gz LXOOUARWBUIPJY-UHFFFAOYSA-N 1 2 293.370 3.134 20 30 CGEDLO Cc1nc(Nc2ccc3c[nH+]ccc3c2)c(C#N)cc1C#N ZINC001210045311 814263094 /nfs/dbraw/zinc/26/30/94/814263094.db2.gz IIRBJMLXWGNVHV-UHFFFAOYSA-N 1 2 285.310 3.425 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001242744132 823120120 /nfs/dbraw/zinc/12/01/20/823120120.db2.gz AEPIBUNGCVKVLH-CYBMUJFWSA-N 1 2 266.344 3.314 20 30 CGEDLO COc1cc(Nc2scc(C)c2C#N)cc(C)[nH+]1 ZINC001210775950 814622329 /nfs/dbraw/zinc/62/23/29/814622329.db2.gz KFRZOAPAUWNKAX-UHFFFAOYSA-N 1 2 259.334 3.384 20 30 CGEDLO C#Cc1cc(Nc2cc(-c3ccccc3)cnc2F)cc[nH+]1 ZINC001216068295 815678577 /nfs/dbraw/zinc/67/85/77/815678577.db2.gz JKAAIWWGPYGQRM-UHFFFAOYSA-N 1 2 289.313 3.430 20 30 CGEDLO CCc1cc(Nc2[nH+]cccc2N(C)C)ccc1C#N ZINC001216315960 815777991 /nfs/dbraw/zinc/77/79/91/815777991.db2.gz FEDBRBZDEPACBL-UHFFFAOYSA-N 1 2 266.348 3.325 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)ccc2OCC)cc[nH+]1 ZINC001216447645 815832632 /nfs/dbraw/zinc/83/26/32/815832632.db2.gz XNFGXDBITNRCCY-UHFFFAOYSA-N 1 2 272.735 3.281 20 30 CGEDLO C=CCCCCCCCCCO[C@@H]1CC[NH2+][C@@H]1C(=O)OC ZINC001217890830 815991679 /nfs/dbraw/zinc/99/16/79/815991679.db2.gz ZZOANSYQSLVGRN-CVEARBPZSA-N 1 2 297.439 3.213 20 30 CGEDLO Cn1c[nH+]cc1-c1cc(C(F)(F)F)ccc1CC#N ZINC001243071083 823235285 /nfs/dbraw/zinc/23/52/85/823235285.db2.gz KYJXHBXHABWGNE-UHFFFAOYSA-N 1 2 265.238 3.172 20 30 CGEDLO N#Cc1cc(Cl)c(O[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC001226584392 817404148 /nfs/dbraw/zinc/40/41/48/817404148.db2.gz HUEWRXYBFAZKNG-ZDUSSCGKSA-N 1 2 297.185 3.338 20 30 CGEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1CO ZINC001243192328 823282680 /nfs/dbraw/zinc/28/26/80/823282680.db2.gz FFRHNYQRSRHSEG-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO N#Cc1c(Cl)cccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001227789178 817721753 /nfs/dbraw/zinc/72/17/53/817721753.db2.gz LVGOKUOYBUFKIM-UHFFFAOYSA-N 1 2 298.773 3.475 20 30 CGEDLO C[NH+]1CC(Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C1 ZINC001228497108 817923080 /nfs/dbraw/zinc/92/30/80/817923080.db2.gz CRQAHGBZKCHMAT-XFXZXTDPSA-N 1 2 293.366 3.276 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC001231624537 818140739 /nfs/dbraw/zinc/14/07/39/818140739.db2.gz ILDJDXNKMRAHME-QGZVFWFLSA-N 1 2 295.386 3.379 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC001231624537 818140744 /nfs/dbraw/zinc/14/07/44/818140744.db2.gz ILDJDXNKMRAHME-QGZVFWFLSA-N 1 2 295.386 3.379 20 30 CGEDLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115433 818259719 /nfs/dbraw/zinc/25/97/19/818259719.db2.gz OVFDZZXUTCZZJU-OAHLLOKOSA-N 1 2 278.783 3.068 20 30 CGEDLO CC(C)[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232115433 818259724 /nfs/dbraw/zinc/25/97/24/818259724.db2.gz OVFDZZXUTCZZJU-OAHLLOKOSA-N 1 2 278.783 3.068 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001232677973 818416947 /nfs/dbraw/zinc/41/69/47/818416947.db2.gz NGZNCUPQFUFLMG-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001232677973 818416950 /nfs/dbraw/zinc/41/69/50/818416950.db2.gz NGZNCUPQFUFLMG-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C#CC[N@@H+](Cc1cn(CCC)cn1)[C@@H]1CCc2ccccc21 ZINC001232803427 818445113 /nfs/dbraw/zinc/44/51/13/818445113.db2.gz NDPJAFCEUMBOJL-LJQANCHMSA-N 1 2 293.414 3.416 20 30 CGEDLO C#CC[N@H+](Cc1cn(CCC)cn1)[C@@H]1CCc2ccccc21 ZINC001232803427 818445118 /nfs/dbraw/zinc/44/51/18/818445118.db2.gz NDPJAFCEUMBOJL-LJQANCHMSA-N 1 2 293.414 3.416 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001232888391 818464971 /nfs/dbraw/zinc/46/49/71/818464971.db2.gz ADRBTXHOQHTRRO-ZDUSSCGKSA-N 1 2 286.272 3.267 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001232888391 818464974 /nfs/dbraw/zinc/46/49/74/818464974.db2.gz ADRBTXHOQHTRRO-ZDUSSCGKSA-N 1 2 286.272 3.267 20 30 CGEDLO Cc1c(C)c(C[N@H+](C)CCC#N)ccc1Br ZINC001233218858 818542835 /nfs/dbraw/zinc/54/28/35/818542835.db2.gz IVVSIOGXWPTTEF-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO Cc1c(C)c(C[N@@H+](C)CCC#N)ccc1Br ZINC001233218858 818542839 /nfs/dbraw/zinc/54/28/39/818542839.db2.gz IVVSIOGXWPTTEF-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(O)c1Cl ZINC001236812122 819603766 /nfs/dbraw/zinc/60/37/66/819603766.db2.gz RQKKNVDLXXHKMI-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(O)c1Cl ZINC001236812122 819603768 /nfs/dbraw/zinc/60/37/68/819603768.db2.gz RQKKNVDLXXHKMI-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO Cn1cc(C[N@H+](C)Cc2cscn2)c2cc(C#N)ccc21 ZINC001237473914 819759307 /nfs/dbraw/zinc/75/93/07/819759307.db2.gz ZCHMDHJALOBSSK-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cn1cc(C[N@@H+](C)Cc2cscn2)c2cc(C#N)ccc21 ZINC001237473914 819759309 /nfs/dbraw/zinc/75/93/09/819759309.db2.gz ZCHMDHJALOBSSK-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(F)cc1F ZINC001237526544 819772300 /nfs/dbraw/zinc/77/23/00/819772300.db2.gz CGUCQATWCILQKR-SNVBAGLBSA-N 1 2 290.235 3.221 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(F)cc1F ZINC001237526544 819772302 /nfs/dbraw/zinc/77/23/02/819772302.db2.gz CGUCQATWCILQKR-SNVBAGLBSA-N 1 2 290.235 3.221 20 30 CGEDLO COc1c(F)c(F)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001238472289 820012782 /nfs/dbraw/zinc/01/27/82/820012782.db2.gz KJAJHGOKIVURQX-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO CSc1cc(C)cc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001238685242 820082907 /nfs/dbraw/zinc/08/29/07/820082907.db2.gz LMZAYRPTWDGGOG-CYBMUJFWSA-N 1 2 260.406 3.453 20 30 CGEDLO CSc1cc(C)cc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001238685242 820082916 /nfs/dbraw/zinc/08/29/16/820082916.db2.gz LMZAYRPTWDGGOG-CYBMUJFWSA-N 1 2 260.406 3.453 20 30 CGEDLO Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c(C#N)n1 ZINC001243657383 823476447 /nfs/dbraw/zinc/47/64/47/823476447.db2.gz LAELOIPAMAONNY-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1c(F)cc(-c2cccc3[nH+]ccn32)cc1F ZINC001239920449 820699019 /nfs/dbraw/zinc/69/90/19/820699019.db2.gz JYYYFNABLCHNIT-UHFFFAOYSA-N 1 2 255.227 3.151 20 30 CGEDLO CC(C)c1ccc(C#N)c(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213556 820881044 /nfs/dbraw/zinc/88/10/44/820881044.db2.gz FFIUBXTZHOSBCI-UHFFFAOYSA-N 1 2 262.316 3.391 20 30 CGEDLO N#Cc1c(-c2ccc3[nH+]ccn3c2)nccc1C(F)(F)F ZINC001240214817 820884233 /nfs/dbraw/zinc/88/42/33/820884233.db2.gz RBFYOBBHKNZRDF-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#CCc1ccc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240217613 820889012 /nfs/dbraw/zinc/88/90/12/820889012.db2.gz JWSVVCSYQXPCCO-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1c[nH]c2cc(-c3ccn4cc[nH+]c4c3)ccc12 ZINC001240510534 821105269 /nfs/dbraw/zinc/10/52/69/821105269.db2.gz NNWPZQIXVZHXKH-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#Cc1cc(F)ccc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001242581210 823043236 /nfs/dbraw/zinc/04/32/36/823043236.db2.gz KUHCHRKSHROLLA-UHFFFAOYSA-N 1 2 267.307 3.360 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2c(c(C)ccc2O)[C@@H]1C ZINC001350598979 936995444 /nfs/dbraw/zinc/99/54/44/936995444.db2.gz FARVLDJIKMKKNN-NUBYWOLOSA-N 1 2 282.343 3.300 20 30 CGEDLO C=CCCC(=O)N(C)C1C[NH+](Cc2cc3ccccc3o2)C1 ZINC001483856096 927635708 /nfs/dbraw/zinc/63/57/08/927635708.db2.gz GRQHDYJAJFODAO-UHFFFAOYSA-N 1 2 298.386 3.042 20 30 CGEDLO Cc1nc(NCc2c[nH]c(C(C)C)[nH+]2)c(Cl)cc1C#N ZINC001559288640 937208758 /nfs/dbraw/zinc/20/87/58/937208758.db2.gz MFDBLMHGIWTSKD-UHFFFAOYSA-N 1 2 289.770 3.374 20 30 CGEDLO Cc1nc(NCc2c[nH+]c(C(C)C)[nH]2)c(Cl)cc1C#N ZINC001559288640 937208761 /nfs/dbraw/zinc/20/87/61/937208761.db2.gz MFDBLMHGIWTSKD-UHFFFAOYSA-N 1 2 289.770 3.374 20 30 CGEDLO N#Cc1ccnc(C[NH2+]C2(c3ccccc3Cl)CC2)c1 ZINC001460289242 937524785 /nfs/dbraw/zinc/52/47/85/937524785.db2.gz BCGIMGFUFYPIBD-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO N#Cc1ncc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC001203056174 931961155 /nfs/dbraw/zinc/96/11/55/931961155.db2.gz IOHQCNNEZPISAC-UHFFFAOYSA-N 1 2 293.305 3.081 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001461901587 937605570 /nfs/dbraw/zinc/60/55/70/937605570.db2.gz USQMDYMUQONGEA-UHFFFAOYSA-N 1 2 272.392 3.383 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2c1OCC2 ZINC001461901587 937605572 /nfs/dbraw/zinc/60/55/72/937605572.db2.gz USQMDYMUQONGEA-UHFFFAOYSA-N 1 2 272.392 3.383 20 30 CGEDLO C[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)C ZINC001462029601 937613272 /nfs/dbraw/zinc/61/32/72/937613272.db2.gz QUOLYDCRIFZYCV-AEFFLSMTSA-N 1 2 299.462 3.379 20 30 CGEDLO C[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)C ZINC001462029601 937613275 /nfs/dbraw/zinc/61/32/75/937613275.db2.gz QUOLYDCRIFZYCV-AEFFLSMTSA-N 1 2 299.462 3.379 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncn1CCC)c1ccc(Cl)cc1 ZINC001462305775 937630985 /nfs/dbraw/zinc/63/09/85/937630985.db2.gz RBKZSDKMAOIEKX-MRXNPFEDSA-N 1 2 287.794 3.411 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC001308506118 933122102 /nfs/dbraw/zinc/12/21/02/933122102.db2.gz RONGXMLPKRQGMB-SNVBAGLBSA-N 1 2 275.352 3.341 20 30 CGEDLO C#CC[N@@H+](Cc1c(Cl)c(C)nn1C)C1CCCCC1 ZINC001308590072 933138611 /nfs/dbraw/zinc/13/86/11/933138611.db2.gz OFCJGVWSWVXJKV-UHFFFAOYSA-N 1 2 279.815 3.150 20 30 CGEDLO C#CC[N@H+](Cc1c(Cl)c(C)nn1C)C1CCCCC1 ZINC001308590072 933138613 /nfs/dbraw/zinc/13/86/13/933138613.db2.gz OFCJGVWSWVXJKV-UHFFFAOYSA-N 1 2 279.815 3.150 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001308756143 933171091 /nfs/dbraw/zinc/17/10/91/933171091.db2.gz XVZZFEVGRGEVFK-UHFFFAOYSA-N 1 2 287.366 3.265 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001308756143 933171098 /nfs/dbraw/zinc/17/10/98/933171098.db2.gz XVZZFEVGRGEVFK-UHFFFAOYSA-N 1 2 287.366 3.265 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001316991447 933464650 /nfs/dbraw/zinc/46/46/50/933464650.db2.gz HVECEDWUQOVOKD-ZIAGYGMSSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001316991447 933464655 /nfs/dbraw/zinc/46/46/55/933464655.db2.gz HVECEDWUQOVOKD-ZIAGYGMSSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001317758096 933645360 /nfs/dbraw/zinc/64/53/60/933645360.db2.gz DNLXHUDMODHCQG-HNNXBMFYSA-N 1 2 298.858 3.408 20 30 CGEDLO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001317758096 933645361 /nfs/dbraw/zinc/64/53/61/933645361.db2.gz DNLXHUDMODHCQG-HNNXBMFYSA-N 1 2 298.858 3.408 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C1(CC)CCCC1 ZINC001322274763 934268621 /nfs/dbraw/zinc/26/86/21/934268621.db2.gz QJXYYSVDPOXATI-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C1(CC)CCCC1 ZINC001322274763 934268632 /nfs/dbraw/zinc/26/86/32/934268632.db2.gz QJXYYSVDPOXATI-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO COc1cc(C)ccc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001322820039 934339690 /nfs/dbraw/zinc/33/96/90/934339690.db2.gz NBDVSRHQKDAOHW-CSKARUKUSA-N 1 2 296.370 3.361 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001323993126 934446168 /nfs/dbraw/zinc/44/61/68/934446168.db2.gz OVPLGQRQYDGOPS-MRXNPFEDSA-N 1 2 292.467 3.312 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(C#N)cc1F ZINC001324707536 934553272 /nfs/dbraw/zinc/55/32/72/934553272.db2.gz QFNOGBYSONBCTG-SOFGYWHQSA-N 1 2 295.317 3.054 20 30 CGEDLO C=CCCCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC001473588666 937812397 /nfs/dbraw/zinc/81/23/97/937812397.db2.gz ZHFPTQPQUURYIK-INIZCTEOSA-N 1 2 275.392 3.107 20 30 CGEDLO CC[C@H]([NH2+]C/C=C\C1CC1)c1cccc(C#N)c1O ZINC001335282719 936136722 /nfs/dbraw/zinc/13/67/22/936136722.db2.gz XALYTOTZYIWSNB-XVWMLYKFSA-N 1 2 256.349 3.271 20 30 CGEDLO CCc1cc(NCc2cccc(OCC#N)c2)nc(CC)[nH+]1 ZINC001336707682 936208258 /nfs/dbraw/zinc/20/82/58/936208258.db2.gz SXPRPLCQPNAFGP-UHFFFAOYSA-N 1 2 296.374 3.116 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)CCC2CCCCCC2)C1 ZINC001499708110 937974294 /nfs/dbraw/zinc/97/42/94/937974294.db2.gz PUXYYNKPEWQCKZ-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001499753491 937974664 /nfs/dbraw/zinc/97/46/64/937974664.db2.gz IPGDNEDIKGRCHW-OAHLLOKOSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001508208956 937998691 /nfs/dbraw/zinc/99/86/91/937998691.db2.gz MZVYSHLBSUNAGH-ZDUSSCGKSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001508208956 937998692 /nfs/dbraw/zinc/99/86/92/937998692.db2.gz MZVYSHLBSUNAGH-ZDUSSCGKSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(C)CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001532353839 938086135 /nfs/dbraw/zinc/08/61/35/938086135.db2.gz UGWOWQLPDDYHHU-UHFFFAOYSA-N 1 2 255.321 3.167 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001560209956 938247331 /nfs/dbraw/zinc/24/73/31/938247331.db2.gz COSYZLJPIWPXMO-HNNXBMFYSA-N 1 2 258.752 3.199 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001560209956 938247332 /nfs/dbraw/zinc/24/73/32/938247332.db2.gz COSYZLJPIWPXMO-HNNXBMFYSA-N 1 2 258.752 3.199 20 30 CGEDLO CCCn1c[nH+]cc1CNc1ccccc1O[C@@H](C)C#N ZINC001560412293 938257504 /nfs/dbraw/zinc/25/75/04/938257504.db2.gz PGRXJRCFSYWENU-ZDUSSCGKSA-N 1 2 284.363 3.196 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)OCC ZINC001560968002 938286942 /nfs/dbraw/zinc/28/69/42/938286942.db2.gz TVIZLZIRIJASBZ-RQJABVFESA-N 1 2 285.815 3.087 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001567296048 961255417 /nfs/dbraw/zinc/25/54/17/961255417.db2.gz ZSEOOTISEXFGFV-CABCVRRESA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001567296048 961255423 /nfs/dbraw/zinc/25/54/23/961255423.db2.gz ZSEOOTISEXFGFV-CABCVRRESA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001567296049 961262767 /nfs/dbraw/zinc/26/27/67/961262767.db2.gz ZSEOOTISEXFGFV-GJZGRUSLSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001567296049 961262787 /nfs/dbraw/zinc/26/27/87/961262787.db2.gz ZSEOOTISEXFGFV-GJZGRUSLSA-N 1 2 298.858 3.003 20 30 CGEDLO COc1cc(C[N@H+](CCC#N)C(C)C)ccc1Cl ZINC000590698562 346865004 /nfs/dbraw/zinc/86/50/04/346865004.db2.gz WXVROAYRTOBNNE-UHFFFAOYSA-N 1 2 266.772 3.473 20 30 CGEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)ccc1Cl ZINC000590698562 346865008 /nfs/dbraw/zinc/86/50/08/346865008.db2.gz WXVROAYRTOBNNE-UHFFFAOYSA-N 1 2 266.772 3.473 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)ccn1 ZINC000590970790 346891907 /nfs/dbraw/zinc/89/19/07/346891907.db2.gz NXRWQIOTMKXSBP-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3cccc(Cl)c3C2)ccn1 ZINC000590970790 346891908 /nfs/dbraw/zinc/89/19/08/346891908.db2.gz NXRWQIOTMKXSBP-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cnccc1C[N@H+](Cc1cccs1)C1CC1 ZINC000592058694 346958301 /nfs/dbraw/zinc/95/83/01/346958301.db2.gz LESGXGZGJNGNKU-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000592058694 346958303 /nfs/dbraw/zinc/95/83/03/346958303.db2.gz LESGXGZGJNGNKU-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO C[C@H](c1ccccc1)[N@H+](C)Cc1ccncc1C#N ZINC000592058638 346958441 /nfs/dbraw/zinc/95/84/41/346958441.db2.gz JFQKCXXDBWHOFK-CYBMUJFWSA-N 1 2 251.333 3.146 20 30 CGEDLO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592058638 346958445 /nfs/dbraw/zinc/95/84/45/346958445.db2.gz JFQKCXXDBWHOFK-CYBMUJFWSA-N 1 2 251.333 3.146 20 30 CGEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592071230 346960320 /nfs/dbraw/zinc/96/03/20/346960320.db2.gz CTVFLKQUGFYZGX-QGZVFWFLSA-N 1 2 280.375 3.019 20 30 CGEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592071230 346960324 /nfs/dbraw/zinc/96/03/24/346960324.db2.gz CTVFLKQUGFYZGX-QGZVFWFLSA-N 1 2 280.375 3.019 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000592071666 346960821 /nfs/dbraw/zinc/96/08/21/346960821.db2.gz NXJMUUCEAAIPGB-GUYCJALGSA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000592071666 346960824 /nfs/dbraw/zinc/96/08/24/346960824.db2.gz NXJMUUCEAAIPGB-GUYCJALGSA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccncc1C#N ZINC000592073492 346961671 /nfs/dbraw/zinc/96/16/71/346961671.db2.gz ZXVJLGKWYWODBI-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592073492 346961675 /nfs/dbraw/zinc/96/16/75/346961675.db2.gz ZXVJLGKWYWODBI-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)cc1 ZINC000295080949 199335484 /nfs/dbraw/zinc/33/54/84/199335484.db2.gz XSKLWRPHVKWKDR-UHFFFAOYSA-N 1 2 251.333 3.306 20 30 CGEDLO COc1ccc([C@H]([NH2+]CCC#N)c2ccccc2)cc1 ZINC000037373579 344949976 /nfs/dbraw/zinc/94/99/76/344949976.db2.gz DTRWLXOZLXDUIP-QGZVFWFLSA-N 1 2 266.344 3.288 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3sccc3C#N)cc2[nH+]1 ZINC000052034318 345096570 /nfs/dbraw/zinc/09/65/70/345096570.db2.gz GYVYGOHZWPWQHQ-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3sccc3C#N)ccc2[nH+]1 ZINC000052034318 345096571 /nfs/dbraw/zinc/09/65/71/345096571.db2.gz GYVYGOHZWPWQHQ-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)no1)Cc1cccc(C#N)c1 ZINC000063300425 345244770 /nfs/dbraw/zinc/24/47/70/345244770.db2.gz BFNFRUSQKZWRDY-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)no1)Cc1cccc(C#N)c1 ZINC000063300425 345244772 /nfs/dbraw/zinc/24/47/72/345244772.db2.gz BFNFRUSQKZWRDY-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO CCc1noc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000065433095 345272224 /nfs/dbraw/zinc/27/22/24/345272224.db2.gz URNXOTYTRYFOII-LBPRGKRZSA-N 1 2 284.363 3.087 20 30 CGEDLO CCc1noc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000065433095 345272225 /nfs/dbraw/zinc/27/22/25/345272225.db2.gz URNXOTYTRYFOII-LBPRGKRZSA-N 1 2 284.363 3.087 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000068766459 345361614 /nfs/dbraw/zinc/36/16/14/345361614.db2.gz BBLPQCDQTGCYGR-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068766459 345361617 /nfs/dbraw/zinc/36/16/17/345361617.db2.gz BBLPQCDQTGCYGR-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C=C1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623955389 349927578 /nfs/dbraw/zinc/92/75/78/349927578.db2.gz YQWUVQNGKVHHID-UHFFFAOYSA-N 1 2 264.332 3.039 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000070925997 345397836 /nfs/dbraw/zinc/39/78/36/345397836.db2.gz OPNVXODIFWFVHI-ZDUSSCGKSA-N 1 2 269.348 3.472 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000071230741 345402479 /nfs/dbraw/zinc/40/24/79/345402479.db2.gz RJDHILVANOYGOU-UHFFFAOYSA-N 1 2 286.297 3.067 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000071230741 345402482 /nfs/dbraw/zinc/40/24/82/345402482.db2.gz RJDHILVANOYGOU-UHFFFAOYSA-N 1 2 286.297 3.067 20 30 CGEDLO CCCCn1c(S[C@@H](C)C#N)nnc1[C@H](CC)[NH+](C)C ZINC000078249464 345596075 /nfs/dbraw/zinc/59/60/75/345596075.db2.gz RYBJHGTYIZZDIH-RYUDHWBXSA-N 1 2 295.456 3.095 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(-c2ccc(C)cc2)no1 ZINC000081040576 345697762 /nfs/dbraw/zinc/69/77/62/345697762.db2.gz BWUKMJFQVOKMMI-UHFFFAOYSA-N 1 2 269.348 3.386 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(-c2ccc(C)cc2)no1 ZINC000081040576 345697764 /nfs/dbraw/zinc/69/77/64/345697764.db2.gz BWUKMJFQVOKMMI-UHFFFAOYSA-N 1 2 269.348 3.386 20 30 CGEDLO N#Cc1c(F)cccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000091506198 345817167 /nfs/dbraw/zinc/81/71/67/345817167.db2.gz KIRKUEOCSGTGOD-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1c(C)oc2ccccc21 ZINC000119122940 345992583 /nfs/dbraw/zinc/99/25/83/345992583.db2.gz XNGORYJTCJQKCT-UHFFFAOYSA-N 1 2 272.348 3.103 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1c(C)oc2ccccc21 ZINC000119122940 345992584 /nfs/dbraw/zinc/99/25/84/345992584.db2.gz XNGORYJTCJQKCT-UHFFFAOYSA-N 1 2 272.348 3.103 20 30 CGEDLO C=CC1CC[NH+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000171953261 346213650 /nfs/dbraw/zinc/21/36/50/346213650.db2.gz NGUFJNVTJBQKOK-LLVKDONJSA-N 1 2 294.345 3.190 20 30 CGEDLO Cc1cccc(CCNc2ncc(Cl)c(C)c2C#N)[nH+]1 ZINC000281566604 346418536 /nfs/dbraw/zinc/41/85/36/346418536.db2.gz VEEOCGCYEAZHIN-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO Cc1cc(N2CCc3ccccc3[C@H](C)C2)c(C#N)c[nH+]1 ZINC000404773367 346600917 /nfs/dbraw/zinc/60/09/17/346600917.db2.gz COGNBFJEKNIMFR-CYBMUJFWSA-N 1 2 277.371 3.428 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(CC)nc1 ZINC000414369537 346608926 /nfs/dbraw/zinc/60/89/26/346608926.db2.gz JLIIWHHZWOSZIS-UHFFFAOYSA-N 1 2 273.405 3.289 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(CC)nc1 ZINC000414369537 346608930 /nfs/dbraw/zinc/60/89/30/346608930.db2.gz JLIIWHHZWOSZIS-UHFFFAOYSA-N 1 2 273.405 3.289 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000593696338 347104413 /nfs/dbraw/zinc/10/44/13/347104413.db2.gz DDGHWDTVDOZYLO-ZDUSSCGKSA-N 1 2 294.420 3.172 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000593696338 347104417 /nfs/dbraw/zinc/10/44/17/347104417.db2.gz DDGHWDTVDOZYLO-ZDUSSCGKSA-N 1 2 294.420 3.172 20 30 CGEDLO COc1ccc(N[C@@H]2CCc3ccc(C#N)cc32)[nH+]c1 ZINC000589342913 346794247 /nfs/dbraw/zinc/79/42/47/346794247.db2.gz SEYZFRZUEJYSAD-OAHLLOKOSA-N 1 2 265.316 3.061 20 30 CGEDLO CC(C)(C#N)CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594031155 347140221 /nfs/dbraw/zinc/14/02/21/347140221.db2.gz PMCBJHWBOMGQCU-UHFFFAOYSA-N 1 2 250.292 3.220 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C ZINC000594614045 347204096 /nfs/dbraw/zinc/20/40/96/347204096.db2.gz XZXDWAJTVOVIPW-MRXNPFEDSA-N 1 2 282.391 3.271 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC)c1 ZINC000594970305 347245629 /nfs/dbraw/zinc/24/56/29/347245629.db2.gz XTGRZYGQCVJGGU-SFHVURJKSA-N 1 2 296.370 3.044 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000595621659 347329120 /nfs/dbraw/zinc/32/91/20/347329120.db2.gz XEWNVRGLHYGVKY-CQSZACIVSA-N 1 2 272.779 3.317 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000595621659 347329123 /nfs/dbraw/zinc/32/91/23/347329123.db2.gz XEWNVRGLHYGVKY-CQSZACIVSA-N 1 2 272.779 3.317 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1OC(F)F ZINC000595528690 347316115 /nfs/dbraw/zinc/31/61/15/347316115.db2.gz DGJYQANKNIXPFX-JTQLQIEISA-N 1 2 272.270 3.209 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2cc(Nc3ccccc3)nc[nH+]2)C1 ZINC000596280435 347410363 /nfs/dbraw/zinc/41/03/63/347410363.db2.gz FCXYJYCAKCYLRP-OCCSQVGLSA-N 1 2 279.347 3.324 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000596280435 347410366 /nfs/dbraw/zinc/41/03/66/347410366.db2.gz FCXYJYCAKCYLRP-OCCSQVGLSA-N 1 2 279.347 3.324 20 30 CGEDLO CC(C)COc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838983 347364487 /nfs/dbraw/zinc/36/44/87/347364487.db2.gz FRHRVALSQJHHCU-KRWDZBQOSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838983 347364490 /nfs/dbraw/zinc/36/44/90/347364490.db2.gz FRHRVALSQJHHCU-KRWDZBQOSA-N 1 2 272.392 3.457 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC000595842676 347366460 /nfs/dbraw/zinc/36/64/60/347366460.db2.gz URTWOFCCLDUAGU-KRWDZBQOSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2ncc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2c1 ZINC000595842676 347366463 /nfs/dbraw/zinc/36/64/63/347366463.db2.gz URTWOFCCLDUAGU-KRWDZBQOSA-N 1 2 265.360 3.279 20 30 CGEDLO C=CCCSCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000596790105 347511745 /nfs/dbraw/zinc/51/17/45/347511745.db2.gz INGCXKQAFKKRIZ-UHFFFAOYSA-N 1 2 279.409 3.129 20 30 CGEDLO COCc1csc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000597080956 347533582 /nfs/dbraw/zinc/53/35/82/347533582.db2.gz XUKWEJKJRUIZAB-AWEZNQCLSA-N 1 2 264.394 3.020 20 30 CGEDLO COCc1csc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000597080956 347533583 /nfs/dbraw/zinc/53/35/83/347533583.db2.gz XUKWEJKJRUIZAB-AWEZNQCLSA-N 1 2 264.394 3.020 20 30 CGEDLO Cc1cn2ccc(NC(=O)NCC(C)(C)CCC#N)cc2[nH+]1 ZINC000597127533 347538210 /nfs/dbraw/zinc/53/82/10/347538210.db2.gz IAUWHDLPWBTJMO-UHFFFAOYSA-N 1 2 299.378 3.094 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229427 347557771 /nfs/dbraw/zinc/55/77/71/347557771.db2.gz ACCOKFFVVCLWGD-LPDYGMJQSA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229427 347557777 /nfs/dbraw/zinc/55/77/77/347557777.db2.gz ACCOKFFVVCLWGD-LPDYGMJQSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000597230638 347558759 /nfs/dbraw/zinc/55/87/59/347558759.db2.gz SMMSWCXHWGGISY-KRWDZBQOSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000597230638 347558763 /nfs/dbraw/zinc/55/87/63/347558763.db2.gz SMMSWCXHWGGISY-KRWDZBQOSA-N 1 2 294.358 3.004 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597229522 347558824 /nfs/dbraw/zinc/55/88/24/347558824.db2.gz BWAXPZSBIVPTRA-CQSZACIVSA-N 1 2 263.410 3.077 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597229522 347558826 /nfs/dbraw/zinc/55/88/26/347558826.db2.gz BWAXPZSBIVPTRA-CQSZACIVSA-N 1 2 263.410 3.077 20 30 CGEDLO Cc1nc2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2s1 ZINC000597230910 347558976 /nfs/dbraw/zinc/55/89/76/347558976.db2.gz KBDMWXNYTZKBGY-HNNXBMFYSA-N 1 2 271.389 3.340 20 30 CGEDLO Cc1nc2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2s1 ZINC000597230910 347558981 /nfs/dbraw/zinc/55/89/81/347558981.db2.gz KBDMWXNYTZKBGY-HNNXBMFYSA-N 1 2 271.389 3.340 20 30 CGEDLO COc1ccc(C[NH+]2CC(CC#N)C2)cc1OCC(C)C ZINC000597194066 347548621 /nfs/dbraw/zinc/54/86/21/347548621.db2.gz TZQYIXINYOBJPG-UHFFFAOYSA-N 1 2 288.391 3.075 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000598650730 347675558 /nfs/dbraw/zinc/67/55/58/347675558.db2.gz WNYOZEIMQLDBBU-SUNYJGFJSA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000598650730 347675562 /nfs/dbraw/zinc/67/55/62/347675562.db2.gz WNYOZEIMQLDBBU-SUNYJGFJSA-N 1 2 299.418 3.006 20 30 CGEDLO CCC(F)(F)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000598996810 347705190 /nfs/dbraw/zinc/70/51/90/347705190.db2.gz OAGBSUGIUVIKEE-UHFFFAOYSA-N 1 2 264.319 3.377 20 30 CGEDLO Cc1[nH]c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[nH+]c1C ZINC000600119716 347781792 /nfs/dbraw/zinc/78/17/92/347781792.db2.gz BGFNKUCXZHQGQI-DLBZAZTESA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)cc1C#N ZINC000599478235 347747800 /nfs/dbraw/zinc/74/78/00/347747800.db2.gz LKVVYAUOPNDSEQ-CQSZACIVSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)cc1C#N ZINC000599478235 347747804 /nfs/dbraw/zinc/74/78/04/347747804.db2.gz LKVVYAUOPNDSEQ-CQSZACIVSA-N 1 2 298.308 3.020 20 30 CGEDLO C[C@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@H](C)C1(F)F ZINC000599514821 347749915 /nfs/dbraw/zinc/74/99/15/347749915.db2.gz KXNVRWDDRAYGHO-QWRGUYRKSA-N 1 2 282.309 3.420 20 30 CGEDLO CC(C)(CCC#N)CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601582315 347897737 /nfs/dbraw/zinc/89/77/37/347897737.db2.gz SZOMADNMDZOSLB-UHFFFAOYSA-N 1 2 296.374 3.136 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602449188 347959895 /nfs/dbraw/zinc/95/98/95/347959895.db2.gz ORNAXWZWMSJDCK-OCCSQVGLSA-N 1 2 288.395 3.414 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602449188 347959898 /nfs/dbraw/zinc/95/98/98/347959898.db2.gz ORNAXWZWMSJDCK-OCCSQVGLSA-N 1 2 288.395 3.414 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602461568 347962229 /nfs/dbraw/zinc/96/22/29/347962229.db2.gz HXDYMTXECOOPSE-JTQLQIEISA-N 1 2 275.302 3.247 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602461568 347962230 /nfs/dbraw/zinc/96/22/30/347962230.db2.gz HXDYMTXECOOPSE-JTQLQIEISA-N 1 2 275.302 3.247 20 30 CGEDLO CCN(CC)c1ccc(NC2CCC(C#N)CC2)c[nH+]1 ZINC000602574679 347986004 /nfs/dbraw/zinc/98/60/04/347986004.db2.gz LLAXYYVVJSCRHJ-UHFFFAOYSA-N 1 2 272.396 3.422 20 30 CGEDLO C=C(C)C[C@H]([NH2+]Cc1cc2ccc(C)cc2[nH]1)C(=O)OC ZINC000602738511 348021822 /nfs/dbraw/zinc/02/18/22/348021822.db2.gz LMTFGFVRORGQFA-INIZCTEOSA-N 1 2 286.375 3.074 20 30 CGEDLO CCC(CC)c1cc(C[NH2+]Cc2cccc(C#N)n2)on1 ZINC000602560251 347981983 /nfs/dbraw/zinc/98/19/83/347981983.db2.gz YAFLTGNPJXVQGZ-UHFFFAOYSA-N 1 2 284.363 3.135 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)CC#N ZINC000602860668 348037145 /nfs/dbraw/zinc/03/71/45/348037145.db2.gz DGYGRSKSQCEYJO-LLVKDONJSA-N 1 2 255.321 3.042 20 30 CGEDLO CCN(C(=O)C[NH2+][C@@H](C)CC#N)c1cccc2ccccc21 ZINC000602863326 348038424 /nfs/dbraw/zinc/03/84/24/348038424.db2.gz NGXXMQOMESNEHS-AWEZNQCLSA-N 1 2 295.386 3.084 20 30 CGEDLO CCC(F)(F)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000602894548 348040949 /nfs/dbraw/zinc/04/09/49/348040949.db2.gz IPWCUAQNLSMEHA-UHFFFAOYSA-N 1 2 294.345 3.199 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973721 348047674 /nfs/dbraw/zinc/04/76/74/348047674.db2.gz DORBKFKSKCQDQE-SMDDNHRTSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602973721 348047675 /nfs/dbraw/zinc/04/76/75/348047675.db2.gz DORBKFKSKCQDQE-SMDDNHRTSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602980308 348050122 /nfs/dbraw/zinc/05/01/22/348050122.db2.gz OKTRWJZFQKLANQ-ZBFHGGJFSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602980308 348050124 /nfs/dbraw/zinc/05/01/24/348050124.db2.gz OKTRWJZFQKLANQ-ZBFHGGJFSA-N 1 2 272.779 3.316 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000609486127 348345441 /nfs/dbraw/zinc/34/54/41/348345441.db2.gz DHXYHCNZZHTEKS-YOEHRIQHSA-N 1 2 289.398 3.052 20 30 CGEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000610344011 348376865 /nfs/dbraw/zinc/37/68/65/348376865.db2.gz YJKDISRCIHQKQG-RYUDHWBXSA-N 1 2 284.363 3.476 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000610091359 348363128 /nfs/dbraw/zinc/36/31/28/348363128.db2.gz LMRBQUIJJPISHP-CQSZACIVSA-N 1 2 288.391 3.088 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000610091359 348363131 /nfs/dbraw/zinc/36/31/31/348363131.db2.gz LMRBQUIJJPISHP-CQSZACIVSA-N 1 2 288.391 3.088 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000612163699 348498308 /nfs/dbraw/zinc/49/83/08/348498308.db2.gz WSWALVUZHXZSKI-HNNXBMFYSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000612163699 348498310 /nfs/dbraw/zinc/49/83/10/348498310.db2.gz WSWALVUZHXZSKI-HNNXBMFYSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000612405910 348516994 /nfs/dbraw/zinc/51/69/94/348516994.db2.gz DQERJMYDQKGGKE-MRXNPFEDSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000612405910 348516997 /nfs/dbraw/zinc/51/69/97/348516997.db2.gz DQERJMYDQKGGKE-MRXNPFEDSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000612406502 348517466 /nfs/dbraw/zinc/51/74/66/348517466.db2.gz NTPACYNUTCUANJ-QGZVFWFLSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000612406502 348517467 /nfs/dbraw/zinc/51/74/67/348517467.db2.gz NTPACYNUTCUANJ-QGZVFWFLSA-N 1 2 280.375 3.202 20 30 CGEDLO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406334 348517658 /nfs/dbraw/zinc/51/76/58/348517658.db2.gz KFVUNWVNTXORRT-JZLODUJNSA-N 1 2 270.376 3.334 20 30 CGEDLO COc1ccccc1/C=C/C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406334 348517661 /nfs/dbraw/zinc/51/76/61/348517661.db2.gz KFVUNWVNTXORRT-JZLODUJNSA-N 1 2 270.376 3.334 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1F ZINC000615230169 348725319 /nfs/dbraw/zinc/72/53/19/348725319.db2.gz BTOMJRMUANQYGJ-HZMBPMFUSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1F ZINC000615230169 348725322 /nfs/dbraw/zinc/72/53/22/348725322.db2.gz BTOMJRMUANQYGJ-HZMBPMFUSA-N 1 2 266.747 3.392 20 30 CGEDLO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@](F)(C#N)C1 ZINC000615528654 348747449 /nfs/dbraw/zinc/74/74/49/348747449.db2.gz YLNZPILTVPJUIX-INIZCTEOSA-N 1 2 269.323 3.294 20 30 CGEDLO N#Cc1ccc(/C=C/c2[nH+]ccn2Cc2ccccc2)nc1 ZINC000358835943 233200806 /nfs/dbraw/zinc/20/08/06/233200806.db2.gz WDKIMMGNFJXHCZ-CMDGGOBGSA-N 1 2 286.338 3.368 20 30 CGEDLO C=C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OC ZINC000619700444 349276365 /nfs/dbraw/zinc/27/63/65/349276365.db2.gz XRCWAZPSVWNCCU-GPANFISMSA-N 1 2 273.376 3.030 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000626559506 350318583 /nfs/dbraw/zinc/31/85/83/350318583.db2.gz DBERNASUTFGGKC-UHFFFAOYSA-N 1 2 261.369 3.422 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000628314165 350495805 /nfs/dbraw/zinc/49/58/05/350495805.db2.gz ONNWABARYWCGSQ-UHFFFAOYSA-N 1 2 299.418 3.317 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633525979 351317445 /nfs/dbraw/zinc/31/74/45/351317445.db2.gz VIMMPTXYDFKPOH-UHFFFAOYSA-N 1 2 283.375 3.295 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633668507 351343556 /nfs/dbraw/zinc/34/35/56/351343556.db2.gz CPURLMJAUCUJFS-UHFFFAOYSA-N 1 2 297.402 3.133 20 30 CGEDLO CC[N@H+](Cc1ccon1)[C@H](C)c1ccc(C#N)cc1 ZINC000122831064 187054034 /nfs/dbraw/zinc/05/40/34/187054034.db2.gz QDYQCYYIMQFGNX-GFCCVEGCSA-N 1 2 255.321 3.129 20 30 CGEDLO CC[N@@H+](Cc1ccon1)[C@H](C)c1ccc(C#N)cc1 ZINC000122831064 187054035 /nfs/dbraw/zinc/05/40/35/187054035.db2.gz QDYQCYYIMQFGNX-GFCCVEGCSA-N 1 2 255.321 3.129 20 30 CGEDLO Cc1ccoc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155403522 188204262 /nfs/dbraw/zinc/20/42/62/188204262.db2.gz IIBYBNBELNXLGC-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccoc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155403522 188204264 /nfs/dbraw/zinc/20/42/64/188204264.db2.gz IIBYBNBELNXLGC-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000336434363 213297170 /nfs/dbraw/zinc/29/71/70/213297170.db2.gz NAFKCSFZPDYDTQ-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000336434363 213297174 /nfs/dbraw/zinc/29/71/74/213297174.db2.gz NAFKCSFZPDYDTQ-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1cccc(Cl)c1 ZINC000157654485 188330280 /nfs/dbraw/zinc/33/02/80/188330280.db2.gz JBWRWKMHYJIQBE-UHFFFAOYSA-N 1 2 293.798 3.150 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1cccc(Cl)c1 ZINC000157654485 188330282 /nfs/dbraw/zinc/33/02/82/188330282.db2.gz JBWRWKMHYJIQBE-UHFFFAOYSA-N 1 2 293.798 3.150 20 30 CGEDLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(C#N)cc1 ZINC000271690829 191279247 /nfs/dbraw/zinc/27/92/47/191279247.db2.gz RJDZXCHEDJYQOT-NSHDSACASA-N 1 2 267.332 3.274 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)cc1)CCC2 ZINC000336425744 213286260 /nfs/dbraw/zinc/28/62/60/213286260.db2.gz JXSLVNFSMOMAFQ-AWEZNQCLSA-N 1 2 266.348 3.053 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nnc(C(C)C)o1)c1ccccc1 ZINC000271739453 191299824 /nfs/dbraw/zinc/29/98/24/191299824.db2.gz UXZBMJHMFFRJBW-CQSZACIVSA-N 1 2 269.348 3.047 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000334804509 283152319 /nfs/dbraw/zinc/15/23/19/283152319.db2.gz CCGIVFLYYNMKNQ-MSOLQXFVSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000334804509 283152323 /nfs/dbraw/zinc/15/23/23/283152323.db2.gz CCGIVFLYYNMKNQ-MSOLQXFVSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccnc(SCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000187887939 138451499 /nfs/dbraw/zinc/45/14/99/138451499.db2.gz WGYZBVOIFMAWLP-UHFFFAOYSA-N 1 2 292.367 3.431 20 30 CGEDLO C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437873794 237368236 /nfs/dbraw/zinc/36/82/36/237368236.db2.gz HCCJNDNAZQJGSJ-JTQLQIEISA-N 1 2 298.358 3.097 20 30 CGEDLO C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437873794 237368244 /nfs/dbraw/zinc/36/82/44/237368244.db2.gz HCCJNDNAZQJGSJ-JTQLQIEISA-N 1 2 298.358 3.097 20 30 CGEDLO C=CCC[C@H]([NH2+]c1ccc(OCCC(N)=O)cc1)C1CC1 ZINC000179967202 189230418 /nfs/dbraw/zinc/23/04/18/189230418.db2.gz BMNSAVJEENXFMS-INIZCTEOSA-N 1 2 288.391 3.098 20 30 CGEDLO N#Cc1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000301629075 201103167 /nfs/dbraw/zinc/10/31/67/201103167.db2.gz IAFITMIJJZBLHH-HNNXBMFYSA-N 1 2 299.761 3.264 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000537660418 376191578 /nfs/dbraw/zinc/19/15/78/376191578.db2.gz DWBDFAVMASZCDS-NSHDSACASA-N 1 2 286.404 3.262 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000537660418 376191585 /nfs/dbraw/zinc/19/15/85/376191585.db2.gz DWBDFAVMASZCDS-NSHDSACASA-N 1 2 286.404 3.262 20 30 CGEDLO N#CC1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000123758699 370914453 /nfs/dbraw/zinc/91/44/53/370914453.db2.gz SADYUZHKQNWZNJ-UHFFFAOYSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)CC1(F)F ZINC000494284181 244278207 /nfs/dbraw/zinc/27/82/07/244278207.db2.gz CNFCFBXCWBVTEI-CYBMUJFWSA-N 1 2 294.345 3.304 20 30 CGEDLO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)CC1(F)F ZINC000494284181 244278210 /nfs/dbraw/zinc/27/82/10/244278210.db2.gz CNFCFBXCWBVTEI-CYBMUJFWSA-N 1 2 294.345 3.304 20 30 CGEDLO C#CC[N@H+](Cc1nccs1)[C@@H]1CCc2ccccc21 ZINC000127552188 370952983 /nfs/dbraw/zinc/95/29/83/370952983.db2.gz ZISYETYSVCRXQR-OAHLLOKOSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1nccs1)[C@@H]1CCc2ccccc21 ZINC000127552188 370952989 /nfs/dbraw/zinc/95/29/89/370952989.db2.gz ZISYETYSVCRXQR-OAHLLOKOSA-N 1 2 268.385 3.266 20 30 CGEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000057363549 369536403 /nfs/dbraw/zinc/53/64/03/369536403.db2.gz YVWZXWMTKUZTLL-UHFFFAOYSA-N 1 2 280.375 3.417 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OCC1CC1)C[C@H](C)C#N ZINC000091983751 370085744 /nfs/dbraw/zinc/08/57/44/370085744.db2.gz OJOMINKBVSAHTD-CQSZACIVSA-N 1 2 272.392 3.457 20 30 CGEDLO CC[N@H+](Cc1ccccc1OCC1CC1)C[C@H](C)C#N ZINC000091983751 370085747 /nfs/dbraw/zinc/08/57/47/370085747.db2.gz OJOMINKBVSAHTD-CQSZACIVSA-N 1 2 272.392 3.457 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1ncn(-c2ccccc2)n1 ZINC000092797589 370099692 /nfs/dbraw/zinc/09/96/92/370099692.db2.gz HMUCGPOYEFMXCD-UHFFFAOYSA-N 1 2 284.407 3.446 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1ncn(-c2ccccc2)n1 ZINC000092797589 370099697 /nfs/dbraw/zinc/09/96/97/370099697.db2.gz HMUCGPOYEFMXCD-UHFFFAOYSA-N 1 2 284.407 3.446 20 30 CGEDLO C=CC[N@H+](Cc1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646232 370100638 /nfs/dbraw/zinc/10/06/38/370100638.db2.gz FEEHONXLAULIJK-UHFFFAOYSA-N 1 2 289.360 3.240 20 30 CGEDLO C=CC[N@@H+](Cc1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646232 370100644 /nfs/dbraw/zinc/10/06/44/370100644.db2.gz FEEHONXLAULIJK-UHFFFAOYSA-N 1 2 289.360 3.240 20 30 CGEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1ccc(C#N)cc1 ZINC000118174837 370604834 /nfs/dbraw/zinc/60/48/34/370604834.db2.gz WGPACWLFMGZPRG-JTQLQIEISA-N 1 2 295.371 3.088 20 30 CGEDLO COC(=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)s1 ZINC000119095007 370644175 /nfs/dbraw/zinc/64/41/75/370644175.db2.gz RZKOOWUBZDBYII-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)s1 ZINC000119095007 370644181 /nfs/dbraw/zinc/64/41/81/370644181.db2.gz RZKOOWUBZDBYII-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000130637704 371049019 /nfs/dbraw/zinc/04/90/19/371049019.db2.gz TWRXDQVNIWLKLJ-CXAGYDPISA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000130637704 371049023 /nfs/dbraw/zinc/04/90/23/371049023.db2.gz TWRXDQVNIWLKLJ-CXAGYDPISA-N 1 2 282.343 3.113 20 30 CGEDLO CC#CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133802868 371280981 /nfs/dbraw/zinc/28/09/81/371280981.db2.gz JNAPODRUELMAJB-MRXNPFEDSA-N 1 2 270.763 3.437 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccccc2Br)o1 ZINC000135167462 371396735 /nfs/dbraw/zinc/39/67/35/371396735.db2.gz ZRSLMYPPAXORQJ-UHFFFAOYSA-N 1 2 291.148 3.204 20 30 CGEDLO CCCCCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152639835 371711042 /nfs/dbraw/zinc/71/10/42/371711042.db2.gz ODAJVELIMHFIPE-HNNXBMFYSA-N 1 2 289.423 3.137 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)C#N)C1CCCCC1 ZINC000157621539 372029479 /nfs/dbraw/zinc/02/94/79/372029479.db2.gz QDJKKNXVPUMFBG-GJZGRUSLSA-N 1 2 293.455 3.038 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)C#N)C1CCCCC1 ZINC000157621539 372029481 /nfs/dbraw/zinc/02/94/81/372029481.db2.gz QDJKKNXVPUMFBG-GJZGRUSLSA-N 1 2 293.455 3.038 20 30 CGEDLO C=C1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425169953 372116917 /nfs/dbraw/zinc/11/69/17/372116917.db2.gz QLHCADNHQHNYOK-MRXNPFEDSA-N 1 2 295.386 3.110 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc(C)[nH+]c2C)CCOCC1 ZINC000425553399 372132785 /nfs/dbraw/zinc/13/27/85/372132785.db2.gz UHRNLDIXLLCTSW-UHFFFAOYSA-N 1 2 274.364 3.010 20 30 CGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(F)c1F ZINC000159439068 372144648 /nfs/dbraw/zinc/14/46/48/372144648.db2.gz ROFUKMIPDMGKDH-QWRGUYRKSA-N 1 2 263.291 3.059 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccncc1F ZINC000428958922 372291315 /nfs/dbraw/zinc/29/13/15/372291315.db2.gz FGSRKBHLQGWLQD-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000428862223 372273956 /nfs/dbraw/zinc/27/39/56/372273956.db2.gz SXUSWTFIBHTXSW-UHFFFAOYSA-N 1 2 282.746 3.260 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000428862223 372273960 /nfs/dbraw/zinc/27/39/60/372273960.db2.gz SXUSWTFIBHTXSW-UHFFFAOYSA-N 1 2 282.746 3.260 20 30 CGEDLO CC(C)CCC[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000429050546 372309088 /nfs/dbraw/zinc/30/90/88/372309088.db2.gz YTJSYCXEEQXMMD-GOSISDBHSA-N 1 2 285.435 3.133 20 30 CGEDLO CC(C)CCC[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000429050546 372309093 /nfs/dbraw/zinc/30/90/93/372309093.db2.gz YTJSYCXEEQXMMD-GOSISDBHSA-N 1 2 285.435 3.133 20 30 CGEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000293263868 372340877 /nfs/dbraw/zinc/34/08/77/372340877.db2.gz UODIRHUZELMEPO-UHFFFAOYSA-N 1 2 272.392 3.012 20 30 CGEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000293263868 372340879 /nfs/dbraw/zinc/34/08/79/372340879.db2.gz UODIRHUZELMEPO-UHFFFAOYSA-N 1 2 272.392 3.012 20 30 CGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877086 372431944 /nfs/dbraw/zinc/43/19/44/372431944.db2.gz DLMZZCRJIBUISX-RISCZKNCSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877086 372431947 /nfs/dbraw/zinc/43/19/47/372431947.db2.gz DLMZZCRJIBUISX-RISCZKNCSA-N 1 2 278.783 3.211 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293739884 372466851 /nfs/dbraw/zinc/46/68/51/372466851.db2.gz PCDMRSOFOOBEKX-GFCCVEGCSA-N 1 2 276.409 3.148 20 30 CGEDLO CC(C)c1nc(NCc2cc(C#N)ccc2F)cc[nH+]1 ZINC000172777541 373032292 /nfs/dbraw/zinc/03/22/92/373032292.db2.gz MQLFEFKGIVOTAI-UHFFFAOYSA-N 1 2 270.311 3.223 20 30 CGEDLO CCn1ccnc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000296743491 373233577 /nfs/dbraw/zinc/23/35/77/373233577.db2.gz JNNGZCNNQDQTQZ-CYBMUJFWSA-N 1 2 280.375 3.115 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC(C)(C)O1 ZINC000446762161 373359123 /nfs/dbraw/zinc/35/91/23/373359123.db2.gz QZSMWQHVYLXOCC-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC(C)(C)O1 ZINC000446762161 373359129 /nfs/dbraw/zinc/35/91/29/373359129.db2.gz QZSMWQHVYLXOCC-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2nccnc2C#N)cc1 ZINC000301185218 373687127 /nfs/dbraw/zinc/68/71/27/373687127.db2.gz JQNMUIDFPHGWMO-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2nccnc2C#N)cc1 ZINC000301185218 373687130 /nfs/dbraw/zinc/68/71/30/373687130.db2.gz JQNMUIDFPHGWMO-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO C=CCc1cc(CNc2cc(C)[nH+]cn2)cc(OC)c1OC ZINC000301233856 373702936 /nfs/dbraw/zinc/70/29/36/373702936.db2.gz JFDSUBRDDUSPKL-UHFFFAOYSA-N 1 2 299.374 3.143 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178672402 373803821 /nfs/dbraw/zinc/80/38/21/373803821.db2.gz CPHZJRJMBDIPGY-CQSZACIVSA-N 1 2 268.335 3.056 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000178672402 373803823 /nfs/dbraw/zinc/80/38/23/373803823.db2.gz CPHZJRJMBDIPGY-CQSZACIVSA-N 1 2 268.335 3.056 20 30 CGEDLO C=CCCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302230216 373835895 /nfs/dbraw/zinc/83/58/95/373835895.db2.gz BRMHJDTVCHQAAX-UHFFFAOYSA-N 1 2 273.384 3.350 20 30 CGEDLO C=CCN(CCOC)c1cc(C)[nH+]c2c(F)cccc12 ZINC000302651527 373915076 /nfs/dbraw/zinc/91/50/76/373915076.db2.gz BWWUUSHSBNUKLU-UHFFFAOYSA-N 1 2 274.339 3.321 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000182668326 374309149 /nfs/dbraw/zinc/30/91/49/374309149.db2.gz ILKLFGZXHZBOQN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000182668326 374309159 /nfs/dbraw/zinc/30/91/59/374309159.db2.gz ILKLFGZXHZBOQN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(F)F ZINC000453254878 374372512 /nfs/dbraw/zinc/37/25/12/374372512.db2.gz YMFWSTKJMNZETP-QPUJVOFHSA-N 1 2 256.271 3.392 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000328865531 374390009 /nfs/dbraw/zinc/39/00/09/374390009.db2.gz WLIKZLRJMDJDGH-OUCADQQQSA-N 1 2 288.395 3.460 20 30 CGEDLO [O-]C(=[NH+]c1cccc(C2CCC2)c1)N1CCn2cc[nH+]c2C1 ZINC000329625935 374417054 /nfs/dbraw/zinc/41/70/54/374417054.db2.gz OSTHDTBVALTJAE-UHFFFAOYSA-N 1 2 296.374 3.212 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H]2CCCc3nn(C)cc32)c(C)[nH+]1 ZINC000329857646 374436518 /nfs/dbraw/zinc/43/65/18/374436518.db2.gz VOFQYAFPTPVVBP-GFCCVEGCSA-N 1 2 284.363 3.140 20 30 CGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC3)cc2[nH+]1 ZINC000329852140 374436568 /nfs/dbraw/zinc/43/65/68/374436568.db2.gz ULGSBOZCCPRDFR-NWDGAFQWSA-N 1 2 284.363 3.263 20 30 CGEDLO CN(C)c1[nH]c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2[nH+]1 ZINC000329852139 374436629 /nfs/dbraw/zinc/43/66/29/374436629.db2.gz ULGSBOZCCPRDFR-NEPJUHHUSA-N 1 2 284.363 3.263 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387974 374706974 /nfs/dbraw/zinc/70/69/74/374706974.db2.gz QACMSBCLIVOFFB-OLZOCXBDSA-N 1 2 265.360 3.218 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387974 374706980 /nfs/dbraw/zinc/70/69/80/374706980.db2.gz QACMSBCLIVOFFB-OLZOCXBDSA-N 1 2 265.360 3.218 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000335166942 375194027 /nfs/dbraw/zinc/19/40/27/375194027.db2.gz HSMSCGHDBLELNA-GFCCVEGCSA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000335166942 375194039 /nfs/dbraw/zinc/19/40/39/375194039.db2.gz HSMSCGHDBLELNA-GFCCVEGCSA-N 1 2 275.402 3.413 20 30 CGEDLO C#C[C@H](NCc1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491306058 375325797 /nfs/dbraw/zinc/32/57/97/375325797.db2.gz LMXLPURJODMVEX-AWEZNQCLSA-N 1 2 291.757 3.160 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2cccc(F)c2)o1 ZINC000191098828 375575968 /nfs/dbraw/zinc/57/59/68/375575968.db2.gz LLJSJCQSPXLWPH-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2cccc(F)c2)o1 ZINC000191098828 375575975 /nfs/dbraw/zinc/57/59/75/375575975.db2.gz LLJSJCQSPXLWPH-UHFFFAOYSA-N 1 2 290.338 3.115 20 30 CGEDLO CC(C)[C@@H]([NH2+]CC#Cc1ccccc1)c1nc(C2CC2)no1 ZINC000192164312 375706500 /nfs/dbraw/zinc/70/65/00/375706500.db2.gz OYQHBTFTGYYQDA-MRXNPFEDSA-N 1 2 295.386 3.285 20 30 CGEDLO CC[N@@H+](Cc1conc1Cc1ccccc1)C[C@H](C)C#N ZINC000507583952 375715812 /nfs/dbraw/zinc/71/58/12/375715812.db2.gz QBYGJQZFQKRMNS-CQSZACIVSA-N 1 2 283.375 3.247 20 30 CGEDLO CC[N@H+](Cc1conc1Cc1ccccc1)C[C@H](C)C#N ZINC000507583952 375715820 /nfs/dbraw/zinc/71/58/20/375715820.db2.gz QBYGJQZFQKRMNS-CQSZACIVSA-N 1 2 283.375 3.247 20 30 CGEDLO C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000532579454 375952810 /nfs/dbraw/zinc/95/28/10/375952810.db2.gz MYFLLLMPXRPBNP-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000532579454 375952812 /nfs/dbraw/zinc/95/28/12/375952812.db2.gz MYFLLLMPXRPBNP-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO CC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000533402639 375955034 /nfs/dbraw/zinc/95/50/34/375955034.db2.gz KCUCSPREPBPJMI-IILDEKEXSA-N 1 2 288.435 3.253 20 30 CGEDLO CC[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C[C@@H](C)C#N ZINC000533402639 375955041 /nfs/dbraw/zinc/95/50/41/375955041.db2.gz KCUCSPREPBPJMI-IILDEKEXSA-N 1 2 288.435 3.253 20 30 CGEDLO CC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C[C@H](C)C#N ZINC000533402642 375955608 /nfs/dbraw/zinc/95/56/08/375955608.db2.gz KCUCSPREPBPJMI-ZZFFKQLHSA-N 1 2 288.435 3.253 20 30 CGEDLO CC[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C[C@H](C)C#N ZINC000533402642 375955621 /nfs/dbraw/zinc/95/56/21/375955621.db2.gz KCUCSPREPBPJMI-ZZFFKQLHSA-N 1 2 288.435 3.253 20 30 CGEDLO CC[N@H+](Cc1nccc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000336840338 376003226 /nfs/dbraw/zinc/00/32/26/376003226.db2.gz WOTIYIXPVHTJDI-CQSZACIVSA-N 1 2 280.375 3.240 20 30 CGEDLO CC[N@@H+](Cc1nccc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000336840338 376003235 /nfs/dbraw/zinc/00/32/35/376003235.db2.gz WOTIYIXPVHTJDI-CQSZACIVSA-N 1 2 280.375 3.240 20 30 CGEDLO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C#N)CC1 ZINC000195316411 376096046 /nfs/dbraw/zinc/09/60/46/376096046.db2.gz MYVFUMUGFYGUPW-UHFFFAOYSA-N 1 2 286.375 3.023 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccc(F)cc1 ZINC000338261072 376301185 /nfs/dbraw/zinc/30/11/85/376301185.db2.gz IGUASGVKNGTWTL-NSHDSACASA-N 1 2 252.358 3.009 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccc(F)cc1 ZINC000338261072 376301190 /nfs/dbraw/zinc/30/11/90/376301190.db2.gz IGUASGVKNGTWTL-NSHDSACASA-N 1 2 252.358 3.009 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000247647443 377229536 /nfs/dbraw/zinc/22/95/36/377229536.db2.gz OZCBXKBDDYXOQB-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000247647443 377229541 /nfs/dbraw/zinc/22/95/41/377229541.db2.gz OZCBXKBDDYXOQB-HZPDHXFCSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000562517917 377320748 /nfs/dbraw/zinc/32/07/48/377320748.db2.gz ASAOYANYQQODAU-CYBMUJFWSA-N 1 2 285.416 3.178 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000340945579 377330881 /nfs/dbraw/zinc/33/08/81/377330881.db2.gz YJICBPVXDIOICZ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000340945579 377330893 /nfs/dbraw/zinc/33/08/93/377330893.db2.gz YJICBPVXDIOICZ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCCc1noc([C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000565220343 377485833 /nfs/dbraw/zinc/48/58/33/377485833.db2.gz DMCOIENXOFWLTN-CQSZACIVSA-N 1 2 291.782 3.493 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000568786467 377524125 /nfs/dbraw/zinc/52/41/25/377524125.db2.gz CWRVVKQMUMYEDV-CYBMUJFWSA-N 1 2 292.810 3.239 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000568786467 377524135 /nfs/dbraw/zinc/52/41/35/377524135.db2.gz CWRVVKQMUMYEDV-CYBMUJFWSA-N 1 2 292.810 3.239 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccnc2ccccc12)C(=O)OCC ZINC000569899042 377531232 /nfs/dbraw/zinc/53/12/32/377531232.db2.gz MSAUWHMLUACVAJ-KRWDZBQOSA-N 1 2 298.386 3.222 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccnn2C2CCCC2)c1 ZINC000570252871 377534450 /nfs/dbraw/zinc/53/44/50/377534450.db2.gz GGGNVPIZQXOHDG-UHFFFAOYSA-N 1 2 281.363 3.071 20 30 CGEDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)C#N ZINC000255343841 377750684 /nfs/dbraw/zinc/75/06/84/377750684.db2.gz MMXYSVYRCNRKMH-FWPCIQOSSA-N 1 2 273.336 3.090 20 30 CGEDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)C#N ZINC000255343841 377750691 /nfs/dbraw/zinc/75/06/91/377750691.db2.gz MMXYSVYRCNRKMH-FWPCIQOSSA-N 1 2 273.336 3.090 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC000267413230 378039832 /nfs/dbraw/zinc/03/98/32/378039832.db2.gz SEFOEGBISUMJIM-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000269637306 378247493 /nfs/dbraw/zinc/24/74/93/378247493.db2.gz NGMPLJBGNNSJIF-SNVBAGLBSA-N 1 2 270.170 3.294 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000269637306 378247497 /nfs/dbraw/zinc/24/74/97/378247497.db2.gz NGMPLJBGNNSJIF-SNVBAGLBSA-N 1 2 270.170 3.294 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000582297543 378300841 /nfs/dbraw/zinc/30/08/41/378300841.db2.gz CYOSKQRFCZCUIF-NSHDSACASA-N 1 2 282.347 3.012 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000582297543 378300847 /nfs/dbraw/zinc/30/08/47/378300847.db2.gz CYOSKQRFCZCUIF-NSHDSACASA-N 1 2 282.347 3.012 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000271368205 378489878 /nfs/dbraw/zinc/48/98/78/378489878.db2.gz ZUBAEMVAUSGJPS-GEULNSMQSA-N 1 2 277.364 3.023 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000637833475 378597071 /nfs/dbraw/zinc/59/70/71/378597071.db2.gz SSPGOOGNHDDNMT-UHFFFAOYSA-N 1 2 299.340 3.412 20 30 CGEDLO CC1=CC[N@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000346978676 218075811 /nfs/dbraw/zinc/07/58/11/218075811.db2.gz USTCEBAISHWWSC-UHFFFAOYSA-N 1 2 291.192 3.473 20 30 CGEDLO CC1=CC[N@@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC000346978676 218075814 /nfs/dbraw/zinc/07/58/14/218075814.db2.gz USTCEBAISHWWSC-UHFFFAOYSA-N 1 2 291.192 3.473 20 30 CGEDLO Cc1cccn2c(/C=C/c3ccncc3C#N)c[nH+]c12 ZINC000347449557 218238763 /nfs/dbraw/zinc/23/87/63/218238763.db2.gz RMNLFERPSUOYGL-SNAWJCMRSA-N 1 2 260.300 3.080 20 30 CGEDLO N#Cc1cnccc1/C=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000349107012 379161037 /nfs/dbraw/zinc/16/10/37/379161037.db2.gz JFKHOAZHVSHSRU-HNQUOIGGSA-N 1 2 280.718 3.425 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)s1 ZINC000373964046 379354731 /nfs/dbraw/zinc/35/47/31/379354731.db2.gz WXQUWCMGTZKBMK-UHFFFAOYSA-N 1 2 293.355 3.084 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(CC2CC2)no1 ZINC000639459651 379408007 /nfs/dbraw/zinc/40/80/07/379408007.db2.gz AYGJFBDASBXNEY-UHFFFAOYSA-N 1 2 297.402 3.253 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(CC2CC2)no1 ZINC000639459651 379408015 /nfs/dbraw/zinc/40/80/15/379408015.db2.gz AYGJFBDASBXNEY-UHFFFAOYSA-N 1 2 297.402 3.253 20 30 CGEDLO C=CC[N@@H+](Cc1c(Cl)cccc1C(=O)OC)C1CC1 ZINC000351734848 379741039 /nfs/dbraw/zinc/74/10/39/379741039.db2.gz JZKYSOUXKPDMHZ-UHFFFAOYSA-N 1 2 279.767 3.277 20 30 CGEDLO C=CC[N@H+](Cc1c(Cl)cccc1C(=O)OC)C1CC1 ZINC000351734848 379741048 /nfs/dbraw/zinc/74/10/48/379741048.db2.gz JZKYSOUXKPDMHZ-UHFFFAOYSA-N 1 2 279.767 3.277 20 30 CGEDLO CCOC(=O)C[N@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411546817 380152062 /nfs/dbraw/zinc/15/20/62/380152062.db2.gz TVZVDJWIXZNYQW-UHFFFAOYSA-N 1 2 292.423 3.268 20 30 CGEDLO CCOC(=O)C[N@@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411546817 380152066 /nfs/dbraw/zinc/15/20/66/380152066.db2.gz TVZVDJWIXZNYQW-UHFFFAOYSA-N 1 2 292.423 3.268 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414440162 380238452 /nfs/dbraw/zinc/23/84/52/380238452.db2.gz XYDPPZVGMSZHRV-OAHLLOKOSA-N 1 2 286.354 3.102 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000354033202 380289392 /nfs/dbraw/zinc/28/93/92/380289392.db2.gz JEOJUKMYIDQDTH-ZDUSSCGKSA-N 1 2 298.365 3.135 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000354033202 380289404 /nfs/dbraw/zinc/28/94/04/380289404.db2.gz JEOJUKMYIDQDTH-ZDUSSCGKSA-N 1 2 298.365 3.135 20 30 CGEDLO Cc1ccc(CCCN2CCCC(C)(C)[C@@H]2C#N)c[nH+]1 ZINC000355113878 380579772 /nfs/dbraw/zinc/57/97/72/380579772.db2.gz FYQSGACUTGNRRW-INIZCTEOSA-N 1 2 271.408 3.337 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972856 380867459 /nfs/dbraw/zinc/86/74/59/380867459.db2.gz MINUDSRMFRBKLW-ZDUSSCGKSA-N 1 2 293.208 3.370 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420972856 380867462 /nfs/dbraw/zinc/86/74/62/380867462.db2.gz MINUDSRMFRBKLW-ZDUSSCGKSA-N 1 2 293.208 3.370 20 30 CGEDLO C=C(C)C[N@H+](Cc1nnc(C)s1)Cc1ccccc1 ZINC000279352170 194396677 /nfs/dbraw/zinc/39/66/77/194396677.db2.gz QMNDISCOVPADRN-UHFFFAOYSA-N 1 2 273.405 3.425 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nnc(C)s1)Cc1ccccc1 ZINC000279352170 194396679 /nfs/dbraw/zinc/39/66/79/194396679.db2.gz QMNDISCOVPADRN-UHFFFAOYSA-N 1 2 273.405 3.425 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)o1 ZINC000360035180 381420209 /nfs/dbraw/zinc/42/02/09/381420209.db2.gz IJRZPEAKTVGQRB-UHFFFAOYSA-N 1 2 279.299 3.096 20 30 CGEDLO C=C(CC)C[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000362186282 381902690 /nfs/dbraw/zinc/90/26/90/381902690.db2.gz YJEGPBMZIQLZLI-CYBMUJFWSA-N 1 2 294.420 3.423 20 30 CGEDLO C=C(CC)C[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000362186282 381902694 /nfs/dbraw/zinc/90/26/94/381902694.db2.gz YJEGPBMZIQLZLI-CYBMUJFWSA-N 1 2 294.420 3.423 20 30 CGEDLO COc1cc(C#N)cc(OCc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000362715244 382105430 /nfs/dbraw/zinc/10/54/30/382105430.db2.gz HKJRKBCYCAQOOT-UHFFFAOYSA-N 1 2 293.326 3.331 20 30 CGEDLO COc1cc(C#N)cc(OCc2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000362715244 382105433 /nfs/dbraw/zinc/10/54/33/382105433.db2.gz HKJRKBCYCAQOOT-UHFFFAOYSA-N 1 2 293.326 3.331 20 30 CGEDLO C#CC[N@@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000192234579 533108672 /nfs/dbraw/zinc/10/86/72/533108672.db2.gz SHSZBZWKKIJMMC-UHFFFAOYSA-N 1 2 294.276 3.425 20 30 CGEDLO C#CC[N@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000192234579 533108676 /nfs/dbraw/zinc/10/86/76/533108676.db2.gz SHSZBZWKKIJMMC-UHFFFAOYSA-N 1 2 294.276 3.425 20 30 CGEDLO Cc1cc[nH+]cc1CCCNc1cccc(C#N)c1 ZINC000289115682 197237850 /nfs/dbraw/zinc/23/78/50/197237850.db2.gz NETPKWDGGHVDJV-UHFFFAOYSA-N 1 2 251.333 3.306 20 30 CGEDLO CCOc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000354025920 262280460 /nfs/dbraw/zinc/28/04/60/262280460.db2.gz KUNYPEWPCNOHJQ-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO C=CC[N@H+](CC(=O)N1CCCC1)Cc1ccc(Cl)s1 ZINC000061758821 392128636 /nfs/dbraw/zinc/12/86/36/392128636.db2.gz ZXJAAHPGZKEVSJ-UHFFFAOYSA-N 1 2 298.839 3.012 20 30 CGEDLO C=CC[N@@H+](CC(=O)N1CCCC1)Cc1ccc(Cl)s1 ZINC000061758821 392128641 /nfs/dbraw/zinc/12/86/41/392128641.db2.gz ZXJAAHPGZKEVSJ-UHFFFAOYSA-N 1 2 298.839 3.012 20 30 CGEDLO CN(CCC#N)c1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000093563331 392239525 /nfs/dbraw/zinc/23/95/25/392239525.db2.gz VHNYQHVNVMEWMH-UHFFFAOYSA-N 1 2 296.418 3.305 20 30 CGEDLO CN(CCC#N)c1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000093563331 392239526 /nfs/dbraw/zinc/23/95/26/392239526.db2.gz VHNYQHVNVMEWMH-UHFFFAOYSA-N 1 2 296.418 3.305 20 30 CGEDLO N#Cc1ccc(OC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000264076618 131391327 /nfs/dbraw/zinc/39/13/27/131391327.db2.gz CGTIGIGDNIEZGP-UHFFFAOYSA-N 1 2 299.399 3.058 20 30 CGEDLO N#CCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000161021631 392583495 /nfs/dbraw/zinc/58/34/95/392583495.db2.gz OHSJDNCDTMYNLC-UHFFFAOYSA-N 1 2 273.561 3.106 20 30 CGEDLO CC(C)[C@H](NC(=O)[C@H]1CCCSC1)c1[nH]cc[nH+]1 ZINC000329604299 392688720 /nfs/dbraw/zinc/68/87/20/392688720.db2.gz YUPKJBUXXPRZIG-QWRGUYRKSA-N 1 2 267.398 3.207 20 30 CGEDLO N#Cc1cc(NCc2c[nH+]c3ccccn23)ccc1Cl ZINC000191836460 392835155 /nfs/dbraw/zinc/83/51/55/392835155.db2.gz IZZHHNPUJMFMLU-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336446544 392856354 /nfs/dbraw/zinc/85/63/54/392856354.db2.gz YCNVPHNDJMWEHA-SCZZXKLOSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000336446544 392856359 /nfs/dbraw/zinc/85/63/59/392856359.db2.gz YCNVPHNDJMWEHA-SCZZXKLOSA-N 1 2 289.326 3.178 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2[nH+]1 ZINC000340040051 392964132 /nfs/dbraw/zinc/96/41/32/392964132.db2.gz NQXTXZJVTMRZEI-UHFFFAOYSA-N 1 2 290.326 3.190 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3ccc(CC#N)cc3)ccc2[nH+]1 ZINC000340040051 392964142 /nfs/dbraw/zinc/96/41/42/392964142.db2.gz NQXTXZJVTMRZEI-UHFFFAOYSA-N 1 2 290.326 3.190 20 30 CGEDLO COCc1ccc(NCCCc2c[nH+]ccc2C)cc1C#N ZINC000529641260 392980512 /nfs/dbraw/zinc/98/05/12/392980512.db2.gz CEAKJRRBJLCGAU-UHFFFAOYSA-N 1 2 295.386 3.453 20 30 CGEDLO Cc1nc(C2([NH2+]CCC(C)(C)C#N)CCCCC2)no1 ZINC000345730687 393066419 /nfs/dbraw/zinc/06/64/19/393066419.db2.gz QBFSNRSEKQMGPY-UHFFFAOYSA-N 1 2 276.384 3.067 20 30 CGEDLO C[C@H]1CCc2nc(C[NH+]3CCC(F)(C#N)CC3)sc2C1 ZINC000348708179 393128925 /nfs/dbraw/zinc/12/89/25/393128925.db2.gz KISVEGYTNWHXJR-NSHDSACASA-N 1 2 293.411 3.096 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000646147191 393231038 /nfs/dbraw/zinc/23/10/38/393231038.db2.gz VVIXRKJLQMUMOE-CYBMUJFWSA-N 1 2 269.747 3.429 20 30 CGEDLO C=CCC[N@H+]1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000646147191 393231043 /nfs/dbraw/zinc/23/10/43/393231043.db2.gz VVIXRKJLQMUMOE-CYBMUJFWSA-N 1 2 269.747 3.429 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)n1 ZINC000356296013 393412246 /nfs/dbraw/zinc/41/22/46/393412246.db2.gz HXPMUVQIJVEJGN-UHFFFAOYSA-N 1 2 299.399 3.133 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)n1 ZINC000356296013 393412251 /nfs/dbraw/zinc/41/22/51/393412251.db2.gz HXPMUVQIJVEJGN-UHFFFAOYSA-N 1 2 299.399 3.133 20 30 CGEDLO COc1cc(Br)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000359227266 393540713 /nfs/dbraw/zinc/54/07/13/393540713.db2.gz LAIVYRWUASMKKI-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO COc1cc(Br)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000359227266 393540720 /nfs/dbraw/zinc/54/07/20/393540720.db2.gz LAIVYRWUASMKKI-JTQLQIEISA-N 1 2 297.196 3.049 20 30 CGEDLO C[C@H]1c2ccccc2C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000361072643 393665708 /nfs/dbraw/zinc/66/57/08/393665708.db2.gz JBAHEQCKNRXYAA-ZDUSSCGKSA-N 1 2 291.354 3.074 20 30 CGEDLO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000361072643 393665714 /nfs/dbraw/zinc/66/57/14/393665714.db2.gz JBAHEQCKNRXYAA-ZDUSSCGKSA-N 1 2 291.354 3.074 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@@H+]2CC(C)(C)CCC#N)no1 ZINC000361169677 393691787 /nfs/dbraw/zinc/69/17/87/393691787.db2.gz ROYLDBKIWNIYAW-CYBMUJFWSA-N 1 2 276.384 3.235 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@H+]2CC(C)(C)CCC#N)no1 ZINC000361169677 393691791 /nfs/dbraw/zinc/69/17/91/393691791.db2.gz ROYLDBKIWNIYAW-CYBMUJFWSA-N 1 2 276.384 3.235 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)Nc2c[nH+]c3c(C)cccn23)C1 ZINC000667959233 542950061 /nfs/dbraw/zinc/95/00/61/542950061.db2.gz ILMWXNMACBXXIS-AWEZNQCLSA-N 1 2 298.390 3.463 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)(F)F ZINC000453273952 287050761 /nfs/dbraw/zinc/05/07/61/287050761.db2.gz AJJBTIVMFLYMQK-DTWKUNHWSA-N 1 2 256.271 3.392 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1OC ZINC000010165234 170399609 /nfs/dbraw/zinc/39/96/09/170399609.db2.gz ICMOGUWEFVOMRF-UHFFFAOYSA-N 1 2 298.342 3.216 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c(F)c1 ZINC000285515308 196310234 /nfs/dbraw/zinc/31/02/34/196310234.db2.gz YPTHJWIUXPTSRK-INIZCTEOSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c(F)c1 ZINC000285515308 196310235 /nfs/dbraw/zinc/31/02/35/196310235.db2.gz YPTHJWIUXPTSRK-INIZCTEOSA-N 1 2 284.338 3.148 20 30 CGEDLO CC(C)[C@H](Nc1ncc(C#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000285753682 196387759 /nfs/dbraw/zinc/38/77/59/196387759.db2.gz UXJHSQRTKIMCMO-NSHDSACASA-N 1 2 275.743 3.139 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC000684234899 543975570 /nfs/dbraw/zinc/97/55/70/543975570.db2.gz KFVLCIJUBJAWJQ-UHFFFAOYSA-N 1 2 297.402 3.268 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347652107 226226875 /nfs/dbraw/zinc/22/68/75/226226875.db2.gz PUOCNCVNXZCZNW-DLRQAJBASA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347652107 226226877 /nfs/dbraw/zinc/22/68/77/226226877.db2.gz PUOCNCVNXZCZNW-DLRQAJBASA-N 1 2 250.292 3.069 20 30 CGEDLO C=CCCn1cc(C[N@H+](Cc2cccs2)C2CC2)nn1 ZINC000653483486 419035626 /nfs/dbraw/zinc/03/56/26/419035626.db2.gz PUYZYRXWCRGKNX-UHFFFAOYSA-N 1 2 288.420 3.080 20 30 CGEDLO C=CCCn1cc(C[N@@H+](Cc2cccs2)C2CC2)nn1 ZINC000653483486 419035629 /nfs/dbraw/zinc/03/56/29/419035629.db2.gz PUYZYRXWCRGKNX-UHFFFAOYSA-N 1 2 288.420 3.080 20 30 CGEDLO C=CCCn1cc(C[N@@H+](Cc2cccs2)C(C)C)nn1 ZINC000653505829 419039548 /nfs/dbraw/zinc/03/95/48/419039548.db2.gz AHTNSVCKJIOUJE-UHFFFAOYSA-N 1 2 290.436 3.326 20 30 CGEDLO C=CCCn1cc(C[N@H+](Cc2cccs2)C(C)C)nn1 ZINC000653505829 419039549 /nfs/dbraw/zinc/03/95/49/419039549.db2.gz AHTNSVCKJIOUJE-UHFFFAOYSA-N 1 2 290.436 3.326 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccccc2C)nn1 ZINC000653504225 419039814 /nfs/dbraw/zinc/03/98/14/419039814.db2.gz LYHPVQZNOKEBQT-HNNXBMFYSA-N 1 2 284.407 3.356 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccccc2C)nn1 ZINC000653504225 419039816 /nfs/dbraw/zinc/03/98/16/419039816.db2.gz LYHPVQZNOKEBQT-HNNXBMFYSA-N 1 2 284.407 3.356 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000661380554 419255928 /nfs/dbraw/zinc/25/59/28/419255928.db2.gz OBGXSEGWMYFDFF-GFCCVEGCSA-N 1 2 294.345 3.191 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000661380554 419255931 /nfs/dbraw/zinc/25/59/31/419255931.db2.gz OBGXSEGWMYFDFF-GFCCVEGCSA-N 1 2 294.345 3.191 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CCCC)no1)C(C)(C)C ZINC000661754846 419294927 /nfs/dbraw/zinc/29/49/27/419294927.db2.gz DHCVHBOLUKDUGU-UHFFFAOYSA-N 1 2 251.374 3.199 20 30 CGEDLO C=CC[N@H+](Cc1nc(CCCC)no1)C(C)(C)C ZINC000661754846 419294928 /nfs/dbraw/zinc/29/49/28/419294928.db2.gz DHCVHBOLUKDUGU-UHFFFAOYSA-N 1 2 251.374 3.199 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000331415135 228097945 /nfs/dbraw/zinc/09/79/45/228097945.db2.gz QFQYCJUKTAYNLM-PWSUYJOCSA-N 1 2 273.361 3.185 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000331741490 228122742 /nfs/dbraw/zinc/12/27/42/228122742.db2.gz AVBBRQJSAJLXEZ-WDEREUQCSA-N 1 2 290.317 3.213 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OC(F)F ZINC000054183216 260216699 /nfs/dbraw/zinc/21/66/99/260216699.db2.gz LMORYSXNASKMMK-LLVKDONJSA-N 1 2 254.280 3.070 20 30 CGEDLO CC[C@H](C#N)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115354185 260263203 /nfs/dbraw/zinc/26/32/03/260263203.db2.gz PPKXQAKZSTZORC-CQSZACIVSA-N 1 2 295.342 3.214 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(CCc2ccccc2)no1 ZINC000173495673 261164400 /nfs/dbraw/zinc/16/44/00/261164400.db2.gz VKVSFDTTYYYHCI-UHFFFAOYSA-N 1 2 285.391 3.253 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(CCc2ccccc2)no1 ZINC000173495673 261164402 /nfs/dbraw/zinc/16/44/02/261164402.db2.gz VKVSFDTTYYYHCI-UHFFFAOYSA-N 1 2 285.391 3.253 20 30 CGEDLO CSc1ccc(OCC[N@H+](C)[C@H](C)CC#N)cc1 ZINC000162000015 261265775 /nfs/dbraw/zinc/26/57/75/261265775.db2.gz QVFYUIMGCFPIHO-GFCCVEGCSA-N 1 2 264.394 3.021 20 30 CGEDLO CSc1ccc(OCC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000162000015 261265777 /nfs/dbraw/zinc/26/57/77/261265777.db2.gz QVFYUIMGCFPIHO-GFCCVEGCSA-N 1 2 264.394 3.021 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H](C)c2ncc(C)s2)c1O ZINC000182171169 261927855 /nfs/dbraw/zinc/92/78/55/261927855.db2.gz CDBYRDLZVGXDRF-JSJZUPIVSA-N 1 2 290.388 3.388 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OC(F)F)C[C@@H](C)C#N ZINC000193500795 262223185 /nfs/dbraw/zinc/22/31/85/262223185.db2.gz YSFUKQGRPRADGZ-NSHDSACASA-N 1 2 268.307 3.270 20 30 CGEDLO CC[N@H+](Cc1ccccc1OC(F)F)C[C@@H](C)C#N ZINC000193500795 262223187 /nfs/dbraw/zinc/22/31/87/262223187.db2.gz YSFUKQGRPRADGZ-NSHDSACASA-N 1 2 268.307 3.270 20 30 CGEDLO C#CCC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC000365090364 262277744 /nfs/dbraw/zinc/27/77/44/262277744.db2.gz QTMIPZCDMKSZQD-UHFFFAOYSA-N 1 2 299.418 3.090 20 30 CGEDLO C#CCC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000365090364 262277745 /nfs/dbraw/zinc/27/77/45/262277745.db2.gz QTMIPZCDMKSZQD-UHFFFAOYSA-N 1 2 299.418 3.090 20 30 CGEDLO CCOc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000354025920 262280458 /nfs/dbraw/zinc/28/04/58/262280458.db2.gz KUNYPEWPCNOHJQ-ZDUSSCGKSA-N 1 2 258.365 3.209 20 30 CGEDLO C[N@H+](CCC1(C#N)CCCCC1)CC(=O)OC(C)(C)C ZINC000411218954 262685262 /nfs/dbraw/zinc/68/52/62/262685262.db2.gz ARUFAYIYQYJUTD-UHFFFAOYSA-N 1 2 280.412 3.124 20 30 CGEDLO C[N@@H+](CCC1(C#N)CCCCC1)CC(=O)OC(C)(C)C ZINC000411218954 262685263 /nfs/dbraw/zinc/68/52/63/262685263.db2.gz ARUFAYIYQYJUTD-UHFFFAOYSA-N 1 2 280.412 3.124 20 30 CGEDLO CC(C)(C#N)CCO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000272063078 263001909 /nfs/dbraw/zinc/00/19/09/263001909.db2.gz GRSSKTYXLWMBQM-UHFFFAOYSA-N 1 2 299.296 3.282 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000272287676 263003142 /nfs/dbraw/zinc/00/31/42/263003142.db2.gz GORUDVKNPKXELR-ZYHUDNBSSA-N 1 2 261.325 3.056 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H](C)C#N ZINC000272287676 263003143 /nfs/dbraw/zinc/00/31/43/263003143.db2.gz GORUDVKNPKXELR-ZYHUDNBSSA-N 1 2 261.325 3.056 20 30 CGEDLO N#CCC[N@H+](CCCC1CCOCC1)Cc1ccccn1 ZINC000274613607 263027773 /nfs/dbraw/zinc/02/77/73/263027773.db2.gz DEMWDZXEGAHWOI-UHFFFAOYSA-N 1 2 287.407 3.004 20 30 CGEDLO N#CCC[N@@H+](CCCC1CCOCC1)Cc1ccccn1 ZINC000274613607 263027774 /nfs/dbraw/zinc/02/77/74/263027774.db2.gz DEMWDZXEGAHWOI-UHFFFAOYSA-N 1 2 287.407 3.004 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000276308816 263036141 /nfs/dbraw/zinc/03/61/41/263036141.db2.gz LLVZCIWMSSTLLU-OUCADQQQSA-N 1 2 264.394 3.202 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000276308816 263036142 /nfs/dbraw/zinc/03/61/42/263036142.db2.gz LLVZCIWMSSTLLU-OUCADQQQSA-N 1 2 264.394 3.202 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000290371554 263116267 /nfs/dbraw/zinc/11/62/67/263116267.db2.gz NJGOKZLXAXSYQS-UHFFFAOYSA-N 1 2 285.416 3.107 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000341996585 263374101 /nfs/dbraw/zinc/37/41/01/263374101.db2.gz HJBAZCWDJIIOIY-UHFFFAOYSA-N 1 2 272.392 3.401 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000342019015 263379626 /nfs/dbraw/zinc/37/96/26/263379626.db2.gz YUILHIHNAFSYGW-LBPRGKRZSA-N 1 2 278.783 3.319 20 30 CGEDLO C#Cc1cccc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000130502159 264352289 /nfs/dbraw/zinc/35/22/89/264352289.db2.gz BSSYPWLIXGFFRB-UHFFFAOYSA-N 1 2 277.371 3.275 20 30 CGEDLO CC(C)[C@@H](Nc1nc(Cl)c(C#N)s1)c1[nH]cc[nH+]1 ZINC000291201347 265893273 /nfs/dbraw/zinc/89/32/73/265893273.db2.gz ULYTVOTZRMDOFC-MRVPVSSYSA-N 1 2 281.772 3.200 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000367837776 267121295 /nfs/dbraw/zinc/12/12/95/267121295.db2.gz VRTMHQBNCXGBKY-ZJUUUORDSA-N 1 2 296.321 3.058 20 30 CGEDLO C=CCCC(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000279788043 275742462 /nfs/dbraw/zinc/74/24/62/275742462.db2.gz JXJFXSFUWAFJPA-UHFFFAOYSA-N 1 2 297.402 3.474 20 30 CGEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356127615 278093618 /nfs/dbraw/zinc/09/36/18/278093618.db2.gz XIGZPSKZXOLQHT-MNOVXSKESA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356127615 278093620 /nfs/dbraw/zinc/09/36/20/278093620.db2.gz XIGZPSKZXOLQHT-MNOVXSKESA-N 1 2 298.308 3.186 20 30 CGEDLO CCCn1c2ccccc2[nH+]c1NCc1cccc(C#N)c1 ZINC000551602917 289125112 /nfs/dbraw/zinc/12/51/12/289125112.db2.gz QMTFESLCZYXPBF-UHFFFAOYSA-N 1 2 290.370 3.352 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1csnn1 ZINC000412040934 328102192 /nfs/dbraw/zinc/10/21/92/328102192.db2.gz MSKRAKDXPVKKOX-LLVKDONJSA-N 1 2 286.404 3.190 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)nn1 ZINC000414433416 328169298 /nfs/dbraw/zinc/16/92/98/328169298.db2.gz BVISYYAFSGCQPY-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)nn1 ZINC000414433416 328169300 /nfs/dbraw/zinc/16/93/00/328169300.db2.gz BVISYYAFSGCQPY-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(C)CCOCC2)c1 ZINC000267813619 328180473 /nfs/dbraw/zinc/18/04/73/328180473.db2.gz UVJDBCUGNAAVBB-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000271133777 328195160 /nfs/dbraw/zinc/19/51/60/328195160.db2.gz QHRSFCPQGVRYMK-LLVKDONJSA-N 1 2 268.307 3.188 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000271133777 328195161 /nfs/dbraw/zinc/19/51/61/328195161.db2.gz QHRSFCPQGVRYMK-LLVKDONJSA-N 1 2 268.307 3.188 20 30 CGEDLO CO[C@@H](C[N@H+](C)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639278 328244630 /nfs/dbraw/zinc/24/46/30/328244630.db2.gz SNQDXWNZOOYELO-FZMZJTMJSA-N 1 2 266.772 3.119 20 30 CGEDLO CO[C@@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639278 328244631 /nfs/dbraw/zinc/24/46/31/328244631.db2.gz SNQDXWNZOOYELO-FZMZJTMJSA-N 1 2 266.772 3.119 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293751772 328277561 /nfs/dbraw/zinc/27/75/61/328277561.db2.gz YCMJXYUOBGZBJQ-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO Cc1cc(NCC2(c3ccncc3)CCCC2)c(C#N)c[nH+]1 ZINC000564877090 322047585 /nfs/dbraw/zinc/04/75/85/322047585.db2.gz QIHDDQJAKHOSNP-UHFFFAOYSA-N 1 2 292.386 3.003 20 30 CGEDLO CC(C)[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566299864 322114538 /nfs/dbraw/zinc/11/45/38/322114538.db2.gz CEXBZYVVTPYREP-UHFFFAOYSA-N 1 2 299.330 3.470 20 30 CGEDLO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566299864 322114540 /nfs/dbraw/zinc/11/45/40/322114540.db2.gz CEXBZYVVTPYREP-UHFFFAOYSA-N 1 2 299.330 3.470 20 30 CGEDLO C=CCC(C)(C)c1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000340784243 328400451 /nfs/dbraw/zinc/40/04/51/328400451.db2.gz WKGBFBRQHUDEBT-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccccc2C(C)(C)C#N)n1 ZINC000569375598 327168913 /nfs/dbraw/zinc/16/89/13/327168913.db2.gz ZYJHORZBPLCFQJ-GFCCVEGCSA-N 1 2 298.390 3.372 20 30 CGEDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2C(C)(C)C#N)n1 ZINC000569375598 327168914 /nfs/dbraw/zinc/16/89/14/327168914.db2.gz ZYJHORZBPLCFQJ-GFCCVEGCSA-N 1 2 298.390 3.372 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2ccccc2n1CC ZINC000535775494 328630105 /nfs/dbraw/zinc/63/01/05/328630105.db2.gz CHRCKWVJXAXEOS-UHFFFAOYSA-N 1 2 255.365 3.230 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(C)C ZINC000584358842 329103864 /nfs/dbraw/zinc/10/38/64/329103864.db2.gz IREYGTWTQJYPPS-CYBMUJFWSA-N 1 2 273.380 3.030 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCCCCC1 ZINC000173549074 329148870 /nfs/dbraw/zinc/14/88/70/329148870.db2.gz UCXGORWXBKDYDW-UHFFFAOYSA-N 1 2 293.455 3.041 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCCCCC1 ZINC000173549074 329148871 /nfs/dbraw/zinc/14/88/71/329148871.db2.gz UCXGORWXBKDYDW-UHFFFAOYSA-N 1 2 293.455 3.041 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000583031842 329305263 /nfs/dbraw/zinc/30/52/63/329305263.db2.gz FNXKWGACZZDAJS-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000583031842 329305265 /nfs/dbraw/zinc/30/52/65/329305265.db2.gz FNXKWGACZZDAJS-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527510435 330255391 /nfs/dbraw/zinc/25/53/91/330255391.db2.gz PVBOSEGUOAFDRX-LSDHHAIUSA-N 1 2 258.340 3.260 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000527510435 330255392 /nfs/dbraw/zinc/25/53/92/330255392.db2.gz PVBOSEGUOAFDRX-LSDHHAIUSA-N 1 2 258.340 3.260 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccoc1 ZINC000533001514 330324973 /nfs/dbraw/zinc/32/49/73/330324973.db2.gz TVGYMIYLQUIJBR-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccoc1 ZINC000533001514 330324974 /nfs/dbraw/zinc/32/49/74/330324974.db2.gz TVGYMIYLQUIJBR-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO N#CC1(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000434664174 330642805 /nfs/dbraw/zinc/64/28/05/330642805.db2.gz JABZUKFAIIJLKA-UHFFFAOYSA-N 1 2 286.350 3.024 20 30 CGEDLO C=CCC[C@@H]([NH2+]C/C=C\c1ccccc1)C(=O)OCC ZINC000449656936 330942485 /nfs/dbraw/zinc/94/24/85/330942485.db2.gz NCBHYXLSJZQWIA-HMWXGYMHSA-N 1 2 273.376 3.187 20 30 CGEDLO C=CCC1(C(=O)N(C)CCCn2cc[nH+]c2)CCCCC1 ZINC000450164607 330964317 /nfs/dbraw/zinc/96/43/17/330964317.db2.gz VWSGBJQCGZRNJC-UHFFFAOYSA-N 1 2 289.423 3.258 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCC(=O)c1ccc(F)cc1 ZINC000451057560 331013984 /nfs/dbraw/zinc/01/39/84/331013984.db2.gz JRLMCFHMAZNELW-UHFFFAOYSA-N 1 2 274.339 3.190 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCC(=O)c1ccc(F)cc1 ZINC000451057560 331013985 /nfs/dbraw/zinc/01/39/85/331013985.db2.gz JRLMCFHMAZNELW-UHFFFAOYSA-N 1 2 274.339 3.190 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452333115 331062562 /nfs/dbraw/zinc/06/25/62/331062562.db2.gz IJSBPVVQBHWYFW-UHFFFAOYSA-N 1 2 297.358 3.037 20 30 CGEDLO C=C(C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000452716064 331072992 /nfs/dbraw/zinc/07/29/92/331072992.db2.gz GGCWWMMJOPGSKM-UHFFFAOYSA-N 1 2 297.402 3.386 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453247900 331107170 /nfs/dbraw/zinc/10/71/70/331107170.db2.gz WSZINIXPXMVMCU-OAHLLOKOSA-N 1 2 288.370 3.225 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453247900 331107171 /nfs/dbraw/zinc/10/71/71/331107171.db2.gz WSZINIXPXMVMCU-OAHLLOKOSA-N 1 2 288.370 3.225 20 30 CGEDLO C=CC[C@H](C(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456366862 331191182 /nfs/dbraw/zinc/19/11/82/331191182.db2.gz WNFWWJVSDUECTA-ZBFHGGJFSA-N 1 2 297.402 3.440 20 30 CGEDLO C=CC[C@H](C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456424306 331192370 /nfs/dbraw/zinc/19/23/70/331192370.db2.gz PKWCUPBIQJIJQV-CWRNSKLLSA-N 1 2 295.386 3.365 20 30 CGEDLO C=CCC1(CNC(=O)c2ccc3[nH+]ccn3c2)CCCC1 ZINC000456482692 331193523 /nfs/dbraw/zinc/19/35/23/331193523.db2.gz FNXUUKOXDOLVDB-UHFFFAOYSA-N 1 2 283.375 3.201 20 30 CGEDLO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463237126 331343545 /nfs/dbraw/zinc/34/35/45/331343545.db2.gz KDXKTBTVEQNWNX-ZNMIVQPWSA-N 1 2 294.439 3.416 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000488573041 332018438 /nfs/dbraw/zinc/01/84/38/332018438.db2.gz ZSYBBQMPAJUNBP-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000488573041 332018439 /nfs/dbraw/zinc/01/84/39/332018439.db2.gz ZSYBBQMPAJUNBP-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(CC)c1C ZINC000489505268 332057210 /nfs/dbraw/zinc/05/72/10/332057210.db2.gz CGRQQEPMLSUTLV-HNNXBMFYSA-N 1 2 274.408 3.348 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(CC)c1C ZINC000489505268 332057212 /nfs/dbraw/zinc/05/72/12/332057212.db2.gz CGRQQEPMLSUTLV-HNNXBMFYSA-N 1 2 274.408 3.348 20 30 CGEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491096377 332149095 /nfs/dbraw/zinc/14/90/95/332149095.db2.gz RVHQDMORNYKDRP-UHFFFAOYSA-N 1 2 293.370 3.366 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(F)ccc1OC)c1ccc(F)cc1 ZINC000491348565 332194386 /nfs/dbraw/zinc/19/43/86/332194386.db2.gz DHGHNOLQKAYHAX-INIZCTEOSA-N 1 2 287.309 3.438 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncs1)c1ccc(Cl)cc1F ZINC000491416208 332207692 /nfs/dbraw/zinc/20/76/92/332207692.db2.gz JQORYYIBHZCCMH-ZDUSSCGKSA-N 1 2 280.755 3.400 20 30 CGEDLO C=C(C)CN(CC)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491521920 332228660 /nfs/dbraw/zinc/22/86/60/332228660.db2.gz YWVYPFSAZNCPRY-YFHOEESVSA-N 1 2 295.386 3.310 20 30 CGEDLO C#C[C@@H](CC)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000491702944 332297161 /nfs/dbraw/zinc/29/71/61/332297161.db2.gz MUXQBWODWHANQS-ZDUSSCGKSA-N 1 2 280.327 3.016 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185878792 333150965 /nfs/dbraw/zinc/15/09/65/333150965.db2.gz PNAJMIIJLDGCEJ-HZSPNIEDSA-N 1 2 280.412 3.025 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccnc1OC ZINC000193368960 333248965 /nfs/dbraw/zinc/24/89/65/333248965.db2.gz HPEOVTAUSVJLPT-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccnc1OC ZINC000193368960 333248966 /nfs/dbraw/zinc/24/89/66/333248966.db2.gz HPEOVTAUSVJLPT-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccco1 ZINC000134955616 334109429 /nfs/dbraw/zinc/10/94/29/334109429.db2.gz FPJPRXZCVAMCKD-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccco1 ZINC000134955616 334109431 /nfs/dbraw/zinc/10/94/31/334109431.db2.gz FPJPRXZCVAMCKD-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C=CC[C@@H](CO)[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000556259783 334504541 /nfs/dbraw/zinc/50/45/41/334504541.db2.gz IPHUZIWYRYDDRQ-ZFWWWQNUSA-N 1 2 299.361 3.307 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000566429397 334648579 /nfs/dbraw/zinc/64/85/79/334648579.db2.gz VAQYFXKTHDGTHA-AAEUAGOBSA-N 1 2 293.798 3.257 20 30 CGEDLO C=C(C)C(C)(C)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000576935373 335265621 /nfs/dbraw/zinc/26/56/21/335265621.db2.gz JRSRQRSEAGWKCD-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000330223746 534122678 /nfs/dbraw/zinc/12/26/78/534122678.db2.gz AKOCODXWCGMKFF-SNVBAGLBSA-N 1 2 295.433 3.035 20 30 CGEDLO C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000330223746 534122692 /nfs/dbraw/zinc/12/26/92/534122692.db2.gz AKOCODXWCGMKFF-SNVBAGLBSA-N 1 2 295.433 3.035 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061681041 526237441 /nfs/dbraw/zinc/23/74/41/526237441.db2.gz DWXGMMQNRSPRBS-NSHDSACASA-N 1 2 257.362 3.059 20 30 CGEDLO C=CCN(CCc1ccco1)c1cc[nH+]c(C(C)C)n1 ZINC000352089362 526329076 /nfs/dbraw/zinc/32/90/76/526329076.db2.gz LAHIBQYIIRLQNO-UHFFFAOYSA-N 1 2 271.364 3.428 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000336208627 527488651 /nfs/dbraw/zinc/48/86/51/527488651.db2.gz XBXNQRNOGLHWBL-JTQLQIEISA-N 1 2 268.282 3.231 20 30 CGEDLO C=CCN(C)C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000355923626 527560998 /nfs/dbraw/zinc/56/09/98/527560998.db2.gz XDSMQYDMCAJVQH-UHFFFAOYSA-N 1 2 285.391 3.023 20 30 CGEDLO CCO[C@H](CCNc1cc(C)[nH+]cc1C#N)C1CCCC1 ZINC000425241008 528038265 /nfs/dbraw/zinc/03/82/65/528038265.db2.gz ZRADTMFEKXKJJL-QGZVFWFLSA-N 1 2 287.407 3.081 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000335974103 528840830 /nfs/dbraw/zinc/84/08/30/528840830.db2.gz GYBDFVZCYQOLQH-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C[C@@H](C)C#N ZINC000352086716 528870016 /nfs/dbraw/zinc/87/00/16/528870016.db2.gz HQAFCSBPRFULDJ-LBPRGKRZSA-N 1 2 286.404 3.187 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccncc2)s1)C[C@@H](C)C#N ZINC000352086716 528870022 /nfs/dbraw/zinc/87/00/22/528870022.db2.gz HQAFCSBPRFULDJ-LBPRGKRZSA-N 1 2 286.404 3.187 20 30 CGEDLO CC1(CC(F)(F)F)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000459641704 535116117 /nfs/dbraw/zinc/11/61/17/535116117.db2.gz RWSADFRZQFYVEA-UHFFFAOYSA-N 1 2 286.272 3.472 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)o2)nc1 ZINC000727259331 571735459 /nfs/dbraw/zinc/73/54/59/571735459.db2.gz AGOLBTZLUKFELT-UHFFFAOYSA-N 1 2 284.363 3.419 20 30 CGEDLO CC(C)[C@@H]1CCC[C@@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000728785448 571822055 /nfs/dbraw/zinc/82/20/55/571822055.db2.gz GSBONWXIZFTYCI-FZIHFEGISA-N 1 2 277.364 3.437 20 30 CGEDLO Fc1ccc(F)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147989 571951386 /nfs/dbraw/zinc/95/13/86/571951386.db2.gz MAFGRQKEVTYWNB-UHFFFAOYSA-N 1 2 283.281 3.381 20 30 CGEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccc(F)cn2)cc1 ZINC000731322015 572408687 /nfs/dbraw/zinc/40/86/87/572408687.db2.gz VNRUMAAVXFXKHD-UHFFFAOYSA-N 1 2 297.337 3.017 20 30 CGEDLO C[C@@H](C/[NH+]=C/c1cccc(O)c1O)Cc1cccs1 ZINC000741463305 572411548 /nfs/dbraw/zinc/41/15/48/572411548.db2.gz CWJHWSZHDXQAQS-HPUUJOOBSA-N 1 2 275.373 3.457 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000741465841 572413175 /nfs/dbraw/zinc/41/31/75/572413175.db2.gz YVZNJLZGRYAKIC-ZFGCAWLISA-N 1 2 281.355 3.451 20 30 CGEDLO CCCCCCC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000740876096 572465087 /nfs/dbraw/zinc/46/50/87/572465087.db2.gz NPAGCQRKBTTWDH-AWEZNQCLSA-N 1 2 293.411 3.291 20 30 CGEDLO CCCCCCC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000740876096 572465091 /nfs/dbraw/zinc/46/50/91/572465091.db2.gz NPAGCQRKBTTWDH-AWEZNQCLSA-N 1 2 293.411 3.291 20 30 CGEDLO Oc1ccccc1/C=[NH+]\[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000741464150 572499406 /nfs/dbraw/zinc/49/94/06/572499406.db2.gz LGYKPXYBBPELOU-XZGFPNQCSA-N 1 2 251.329 3.442 20 30 CGEDLO CC1(C)CCC(/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000741466321 572500910 /nfs/dbraw/zinc/50/09/10/572500910.db2.gz MOPWGZVZNFOWRV-CXUHLZMHSA-N 1 2 263.337 3.191 20 30 CGEDLO C[C@@]1(C/[NH+]=C\c2c(O)ccc3ccccc32)CCOC1 ZINC000733080942 572506722 /nfs/dbraw/zinc/50/67/22/572506722.db2.gz HEIPRYNQXRURJV-PGLQMZEQSA-N 1 2 269.344 3.391 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)OCCCC ZINC000741782047 572527141 /nfs/dbraw/zinc/52/71/41/572527141.db2.gz WOUSBJHQXMJOSR-OAHLLOKOSA-N 1 2 275.392 3.406 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OCCCC ZINC000741782047 572527144 /nfs/dbraw/zinc/52/71/44/572527144.db2.gz WOUSBJHQXMJOSR-OAHLLOKOSA-N 1 2 275.392 3.406 20 30 CGEDLO Oc1ccc(/C=[NH+]\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1O ZINC000741845728 572534719 /nfs/dbraw/zinc/53/47/19/572534719.db2.gz VXEDKZKFUYGDDL-WBXZIXFVSA-N 1 2 275.348 3.191 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]/CC[C@@H]2CCC[C@@H](C)C2)c1O ZINC000734366566 572649862 /nfs/dbraw/zinc/64/98/62/572649862.db2.gz XNXQCYMTKIEHSC-DFGDDMDISA-N 1 2 290.407 3.223 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@H](CC)C2CCOCC2)c(O)c1 ZINC000746393891 572869177 /nfs/dbraw/zinc/86/91/77/572869177.db2.gz LYPIEDMBNKKBHW-YAJBTMAUSA-N 1 2 291.391 3.415 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](C)/[NH+]=C\c1ccc(O)c(O)c1O ZINC000746815769 572896854 /nfs/dbraw/zinc/89/68/54/572896854.db2.gz NDSCVNDUKPJUGV-PUEUJWCZSA-N 1 2 285.343 3.415 20 30 CGEDLO C=CCCCC(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000748294899 572972592 /nfs/dbraw/zinc/97/25/92/572972592.db2.gz HAZNFJJCZOTRPS-UHFFFAOYSA-N 1 2 281.425 3.280 20 30 CGEDLO C#CCOc1ccccc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000749282838 572991468 /nfs/dbraw/zinc/99/14/68/572991468.db2.gz RDVFRZCDMXQWOM-UHFFFAOYSA-N 1 2 295.386 3.398 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000950089805 613295199 /nfs/dbraw/zinc/29/51/99/613295199.db2.gz NOZMQKVCOJFYFZ-HNNXBMFYSA-N 1 2 290.451 3.066 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000957750317 613315340 /nfs/dbraw/zinc/31/53/40/613315340.db2.gz ZLEKDDVCPPJHBM-UHFFFAOYSA-N 1 2 278.440 3.067 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000957553204 613322205 /nfs/dbraw/zinc/32/22/05/613322205.db2.gz YKTMYDAEMNEKGR-UHFFFAOYSA-N 1 2 298.386 3.075 20 30 CGEDLO CN(C)c1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1 ZINC000255101163 617922066 /nfs/dbraw/zinc/92/20/66/617922066.db2.gz ZBHLIZAJTSNYRS-KHPPLWFESA-N 1 2 291.354 3.296 20 30 CGEDLO C=C(C)CC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845864473 618055660 /nfs/dbraw/zinc/05/56/60/618055660.db2.gz JSELAKQWARGIPN-OLZOCXBDSA-N 1 2 250.342 3.122 20 30 CGEDLO CCc1[nH]nc(Cl)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000891605065 618241489 /nfs/dbraw/zinc/24/14/89/618241489.db2.gz XQNVLIMZWCZUEB-UHFFFAOYSA-N 1 2 288.782 3.129 20 30 CGEDLO CCc1[nH]nc(Cl)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000891605065 618241490 /nfs/dbraw/zinc/24/14/90/618241490.db2.gz XQNVLIMZWCZUEB-UHFFFAOYSA-N 1 2 288.782 3.129 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cccc(C#N)c3)n2c1 ZINC000255505117 618620302 /nfs/dbraw/zinc/62/03/02/618620302.db2.gz JDUUWLCKQLLUNV-SREVYHEPSA-N 1 2 287.322 3.411 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c(F)c1 ZINC000255564424 618685154 /nfs/dbraw/zinc/68/51/54/618685154.db2.gz FJEGMLDQUQQGNZ-YVMONPNESA-N 1 2 296.301 3.378 20 30 CGEDLO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(C#N)c1O ZINC000926695651 618826943 /nfs/dbraw/zinc/82/69/43/618826943.db2.gz GBQWEJZRDPUNCP-HIFRSBDPSA-N 1 2 286.375 3.016 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000926729485 618847357 /nfs/dbraw/zinc/84/73/57/618847357.db2.gz YRNRPDOGVCNVDT-ZFWWWQNUSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@H]([NH2+]CCCOCC1CC1)c1cccc(C#N)c1O ZINC000924582163 618887405 /nfs/dbraw/zinc/88/74/05/618887405.db2.gz ILQPHTBYYLROQQ-INIZCTEOSA-N 1 2 288.391 3.121 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1c(Cl)cccc1N1CCCC1 ZINC000775183648 619005768 /nfs/dbraw/zinc/00/57/68/619005768.db2.gz QDUCMXZIYRNXEM-ZDUSSCGKSA-N 1 2 276.811 3.394 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1N1CCCC1 ZINC000775183648 619005772 /nfs/dbraw/zinc/00/57/72/619005772.db2.gz QDUCMXZIYRNXEM-ZDUSSCGKSA-N 1 2 276.811 3.394 20 30 CGEDLO COc1nccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1F ZINC000893193816 619024279 /nfs/dbraw/zinc/02/42/79/619024279.db2.gz AHGXERWKCGLJIS-HNNXBMFYSA-N 1 2 299.349 3.364 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000894003585 619350208 /nfs/dbraw/zinc/35/02/08/619350208.db2.gz NQJBGJPYQNLPMT-UHFFFAOYSA-N 1 2 288.347 3.148 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000894003585 619350212 /nfs/dbraw/zinc/35/02/12/619350212.db2.gz NQJBGJPYQNLPMT-UHFFFAOYSA-N 1 2 288.347 3.148 20 30 CGEDLO Cc1noc2ncc(C[N@@H+](CCC#N)CCC(C)C)cc12 ZINC000894003511 619350238 /nfs/dbraw/zinc/35/02/38/619350238.db2.gz MPCIMCQUVCOAPG-UHFFFAOYSA-N 1 2 286.379 3.293 20 30 CGEDLO Cc1noc2ncc(C[N@H+](CCC#N)CCC(C)C)cc12 ZINC000894003511 619350240 /nfs/dbraw/zinc/35/02/40/619350240.db2.gz MPCIMCQUVCOAPG-UHFFFAOYSA-N 1 2 286.379 3.293 20 30 CGEDLO C=C(Br)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185332882 625343997 /nfs/dbraw/zinc/34/39/97/625343997.db2.gz PPPOVWLJDWESBV-JTQLQIEISA-N 1 2 287.226 3.401 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)no1 ZINC000925028329 619499894 /nfs/dbraw/zinc/49/98/94/619499894.db2.gz ORJQCPGXRNCMKW-LBPRGKRZSA-N 1 2 288.347 3.099 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2csc(C#N)c2)C[C@@H](CC)O1 ZINC000894973556 619689820 /nfs/dbraw/zinc/68/98/20/619689820.db2.gz UMVUVCNLEZHNKV-CHWSQXEVSA-N 1 2 264.394 3.009 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000895834220 619894993 /nfs/dbraw/zinc/89/49/93/619894993.db2.gz HSZFNSMMAWQGPI-UHFFFAOYSA-N 1 2 285.309 3.007 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCOC2(CCC2)C1 ZINC000840708567 620095955 /nfs/dbraw/zinc/09/59/55/620095955.db2.gz YFMAVTMLOWJLKD-VLURKWGBSA-N 1 2 259.349 3.160 20 30 CGEDLO C=CC[C@H](C(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000896911181 620096816 /nfs/dbraw/zinc/09/68/16/620096816.db2.gz MCCNKBNNXDZILX-HNNXBMFYSA-N 1 2 283.375 3.003 20 30 CGEDLO C=C1CCC(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000896983011 620117325 /nfs/dbraw/zinc/11/73/25/620117325.db2.gz XFUAZIYHBJUMKP-GOEBONIOSA-N 1 2 287.407 3.039 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(C#N)c1O ZINC000925298615 620386933 /nfs/dbraw/zinc/38/69/33/620386933.db2.gz SOAZMSNSGPEEPG-WWGRRREGSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc(C#N)c1O ZINC000925301528 620390962 /nfs/dbraw/zinc/39/09/62/620390962.db2.gz ZPMASRWKXUPWNC-OAHLLOKOSA-N 1 2 290.407 3.103 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000899228000 620627188 /nfs/dbraw/zinc/62/71/88/620627188.db2.gz WPFHDIKSPPXLFX-QCUKBLKESA-N 1 2 289.375 3.312 20 30 CGEDLO Cn1c[nH+]cc1/C=C1\CCCc2ccccc2C1=O ZINC000901416567 620881405 /nfs/dbraw/zinc/88/14/05/620881405.db2.gz UQOQTMNKJKXELG-UKTHLTGXSA-N 1 2 252.317 3.023 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCOc2ccc(F)cc2C1=O ZINC000901455157 620893231 /nfs/dbraw/zinc/89/32/31/620893231.db2.gz YZYHMJDWFHUXMB-XFFZJAGNSA-N 1 2 286.306 3.091 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/Cc2c(cccc2C)C1=O ZINC000901472533 620897613 /nfs/dbraw/zinc/89/76/13/620897613.db2.gz JISMFVWGCBCFEV-GHXNOFRVSA-N 1 2 252.317 3.034 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\Cc2cc(C)cc(C)c2C1=O ZINC000901529890 620914982 /nfs/dbraw/zinc/91/49/82/620914982.db2.gz GTLICIPLNQINHH-RIYZIHGNSA-N 1 2 266.344 3.342 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000902067485 621136293 /nfs/dbraw/zinc/13/62/93/621136293.db2.gz NKJBMPGSSHCJBF-UHFFFAOYSA-N 1 2 283.379 3.154 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc2ccccn2c1=S ZINC000902668563 621396278 /nfs/dbraw/zinc/39/62/78/621396278.db2.gz CLGWKQYZGYHSRS-UHFFFAOYSA-N 1 2 276.409 3.111 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc2ccccn2c1=S ZINC000902668563 621396283 /nfs/dbraw/zinc/39/62/83/621396283.db2.gz CLGWKQYZGYHSRS-UHFFFAOYSA-N 1 2 276.409 3.111 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1nc2ccc(Cl)cc2n1C ZINC000903100682 621572664 /nfs/dbraw/zinc/57/26/64/621572664.db2.gz VNHPLFSDYDKJGM-JTQLQIEISA-N 1 2 290.798 3.427 20 30 CGEDLO Cc1cc(C)c(C(=O)NCC2CCC(C#N)CC2)c(C)[nH+]1 ZINC000907993663 622324138 /nfs/dbraw/zinc/32/41/38/622324138.db2.gz QWIKYGQQGTVQFN-UHFFFAOYSA-N 1 2 285.391 3.067 20 30 CGEDLO Cc1cc(CNC(=O)c2cc(C)c(C#N)c(C)c2)cc(C)[nH+]1 ZINC000911168769 622524394 /nfs/dbraw/zinc/52/43/94/622524394.db2.gz POBJSURRWLMKIJ-UHFFFAOYSA-N 1 2 293.370 3.117 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccccc3O)n2c1 ZINC000151444236 622784212 /nfs/dbraw/zinc/78/42/12/622784212.db2.gz JVKAITHZDVIPGE-BQYQJAHWSA-N 1 2 278.311 3.244 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000925438357 624267069 /nfs/dbraw/zinc/26/70/69/624267069.db2.gz XPCIOMKVKAONLV-QMMMGPOBSA-N 1 2 275.577 3.247 20 30 CGEDLO C=C(Br)C[N@H+](C)CCOCc1ccccc1 ZINC000154430889 624283681 /nfs/dbraw/zinc/28/36/81/624283681.db2.gz DUPLMYLWYXDAKR-UHFFFAOYSA-N 1 2 284.197 3.044 20 30 CGEDLO C=C(Br)C[N@@H+](C)CCOCc1ccccc1 ZINC000154430889 624283684 /nfs/dbraw/zinc/28/36/84/624283684.db2.gz DUPLMYLWYXDAKR-UHFFFAOYSA-N 1 2 284.197 3.044 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2cccc(F)c2F)ccc1F ZINC000920401329 624489360 /nfs/dbraw/zinc/48/93/60/624489360.db2.gz QHOZWCLWFMLCIB-UHFFFAOYSA-N 1 2 294.276 3.249 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cc(F)cc(F)c2)cc1 ZINC000920376616 624486169 /nfs/dbraw/zinc/48/61/69/624486169.db2.gz MALVZQNGBUECGH-UHFFFAOYSA-N 1 2 275.302 3.477 20 30 CGEDLO C[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C#N ZINC000835245630 634412224 /nfs/dbraw/zinc/41/22/24/634412224.db2.gz RHIPVUUHNOMDMI-CYBMUJFWSA-N 1 2 297.358 3.026 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)C#CC(C)C)cc2)[nH+]c1C ZINC000921657411 625811346 /nfs/dbraw/zinc/81/13/46/625811346.db2.gz UDXMMVWBSKJTGG-UHFFFAOYSA-N 1 2 281.359 3.291 20 30 CGEDLO CC(C)c1csc(C[NH2+]Cc2csc(C#N)c2)n1 ZINC000921856150 625910352 /nfs/dbraw/zinc/91/03/52/625910352.db2.gz WHPNKEPWBXCCGT-UHFFFAOYSA-N 1 2 277.418 3.489 20 30 CGEDLO CCCCCCCC(=O)OCc1ccc[nH+]c1N ZINC000922353512 626001175 /nfs/dbraw/zinc/00/11/75/626001175.db2.gz ZMQPROYVULNZOW-UHFFFAOYSA-N 1 2 250.342 3.068 20 30 CGEDLO C=CCn1cc2ccc(NCc3[nH]c(C)c(C)[nH+]3)cc2n1 ZINC000922981204 626114833 /nfs/dbraw/zinc/11/48/33/626114833.db2.gz NEGAOASQLXSDNC-UHFFFAOYSA-N 1 2 281.363 3.174 20 30 CGEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000752713757 626435614 /nfs/dbraw/zinc/43/56/14/626435614.db2.gz UMJSUXUTXBVJPY-UHFFFAOYSA-N 1 2 284.319 3.240 20 30 CGEDLO Cc1cc2ncn(C[N@@H+](C[C@H](C)C#N)C3CC3)c2cc1C ZINC000753988421 626470934 /nfs/dbraw/zinc/47/09/34/626470934.db2.gz QDCUKNUAHXUNDK-GFCCVEGCSA-N 1 2 282.391 3.235 20 30 CGEDLO Cc1cc2ncn(C[N@H+](C[C@H](C)C#N)C3CC3)c2cc1C ZINC000753988421 626470935 /nfs/dbraw/zinc/47/09/35/626470935.db2.gz QDCUKNUAHXUNDK-GFCCVEGCSA-N 1 2 282.391 3.235 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2cccc3ncccc32)s1 ZINC000755651274 626634147 /nfs/dbraw/zinc/63/41/47/626634147.db2.gz ITVWTABQUDCBNJ-UHFFFAOYSA-N 1 2 297.387 3.203 20 30 CGEDLO O=C1c2cccc3c2[C@H](CCC3)/C1=C/c1[nH]cc[nH+]1 ZINC000763290319 627149659 /nfs/dbraw/zinc/14/96/59/627149659.db2.gz PQUALJKNEOTACW-NASPGAHYSA-N 1 2 250.301 3.110 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000767687012 627428348 /nfs/dbraw/zinc/42/83/48/627428348.db2.gz FFGQXMHPFZLVKB-NVGFOEHNSA-N 1 2 293.366 3.406 20 30 CGEDLO C=C(C)CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000768800533 627501207 /nfs/dbraw/zinc/50/12/07/627501207.db2.gz ZUHDAXRTZAPULS-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000768800533 627501210 /nfs/dbraw/zinc/50/12/10/627501210.db2.gz ZUHDAXRTZAPULS-INIZCTEOSA-N 1 2 291.366 3.300 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccccc2)cs1 ZINC000769110836 627523485 /nfs/dbraw/zinc/52/34/85/627523485.db2.gz JAYQHUFWGGCBJT-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO C#CC[N@H+](CC)Cc1nc(-c2ccccc2)cs1 ZINC000769110836 627523487 /nfs/dbraw/zinc/52/34/87/627523487.db2.gz JAYQHUFWGGCBJT-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO CCn1nc(C)c(C(=O)/C=C\c2cccc3[nH+]ccn32)c1C ZINC000769607076 627569303 /nfs/dbraw/zinc/56/93/03/627569303.db2.gz HTVFFOWNJHDIPG-HJWRWDBZSA-N 1 2 294.358 3.064 20 30 CGEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000775795189 628137482 /nfs/dbraw/zinc/13/74/82/628137482.db2.gz UYPLPFYOKWCZFR-KBMXLJTQSA-N 1 2 296.370 3.173 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC[C@@H]2CCCCO2)c(O)c1 ZINC000779707684 628421601 /nfs/dbraw/zinc/42/16/01/628421601.db2.gz PVJSMJCLLOTZNY-IQGJIOQQSA-N 1 2 277.364 3.169 20 30 CGEDLO C#CCCCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000780255242 628472425 /nfs/dbraw/zinc/47/24/25/628472425.db2.gz NSZMRDQFUIEWFT-UHFFFAOYSA-N 1 2 296.370 3.499 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2Cl)nc1 ZINC000780556378 628499350 /nfs/dbraw/zinc/49/93/50/628499350.db2.gz XRVDNYNZMHGJQY-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccc(F)cc2F)n1)C(C)C ZINC000781883596 628601669 /nfs/dbraw/zinc/60/16/69/628601669.db2.gz AWDMBGCAZIIZEX-UHFFFAOYSA-N 1 2 293.317 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccc(F)cc2F)n1)C(C)C ZINC000781883596 628601672 /nfs/dbraw/zinc/60/16/72/628601672.db2.gz AWDMBGCAZIIZEX-UHFFFAOYSA-N 1 2 293.317 3.411 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000781902227 628604301 /nfs/dbraw/zinc/60/43/01/628604301.db2.gz ORUGEWLSLNSHIE-JTQLQIEISA-N 1 2 297.196 3.055 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000781902227 628604303 /nfs/dbraw/zinc/60/43/03/628604303.db2.gz ORUGEWLSLNSHIE-JTQLQIEISA-N 1 2 297.196 3.055 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000782487835 628650016 /nfs/dbraw/zinc/65/00/16/628650016.db2.gz LFLVARRLVRMKRQ-NSHDSACASA-N 1 2 273.767 3.480 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000782487835 628650018 /nfs/dbraw/zinc/65/00/18/628650018.db2.gz LFLVARRLVRMKRQ-NSHDSACASA-N 1 2 273.767 3.480 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805742394 628685756 /nfs/dbraw/zinc/68/57/56/628685756.db2.gz LGAKGOGLVFISEI-UHFFFAOYSA-N 1 2 277.236 3.439 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805742394 628685760 /nfs/dbraw/zinc/68/57/60/628685760.db2.gz LGAKGOGLVFISEI-UHFFFAOYSA-N 1 2 277.236 3.439 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3cncc(F)c3)c[nH+]c12 ZINC000125378895 634692097 /nfs/dbraw/zinc/69/20/97/634692097.db2.gz KVJYZCSFBARIFL-SNAWJCMRSA-N 1 2 281.290 3.073 20 30 CGEDLO C=CCC[N@@H+](C)Cc1c(F)c(F)c(F)c(F)c1F ZINC000786444286 628933556 /nfs/dbraw/zinc/93/35/56/628933556.db2.gz LDQQTSNHRRZZHW-UHFFFAOYSA-N 1 2 265.225 3.390 20 30 CGEDLO C=CCC[N@H+](C)Cc1c(F)c(F)c(F)c(F)c1F ZINC000786444286 628933558 /nfs/dbraw/zinc/93/35/58/628933558.db2.gz LDQQTSNHRRZZHW-UHFFFAOYSA-N 1 2 265.225 3.390 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)cc2cccnc12 ZINC000790303250 629202310 /nfs/dbraw/zinc/20/23/10/629202310.db2.gz ROYIWRTXOOAKQI-UHFFFAOYSA-N 1 2 285.738 3.068 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794682695 629566983 /nfs/dbraw/zinc/56/69/83/629566983.db2.gz BUUOAPGVLUDPDZ-ZDUSSCGKSA-N 1 2 294.468 3.377 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC000794682695 629566985 /nfs/dbraw/zinc/56/69/85/629566985.db2.gz BUUOAPGVLUDPDZ-ZDUSSCGKSA-N 1 2 294.468 3.377 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccs2)s1 ZINC000794690588 629567519 /nfs/dbraw/zinc/56/75/19/629567519.db2.gz JPUXRZWFDVQAHP-WAYWQWQTSA-N 1 2 278.402 3.162 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccnc(F)c1 ZINC000794910440 629597650 /nfs/dbraw/zinc/59/76/50/629597650.db2.gz YPNZKUSOOLEHGY-UHFFFAOYSA-N 1 2 280.306 3.027 20 30 CGEDLO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000795887646 629722953 /nfs/dbraw/zinc/72/29/53/629722953.db2.gz SAESFPBHWAEJSY-SJLPKXTDSA-N 1 2 289.467 3.431 20 30 CGEDLO CC(C)=CCC[C@@H](C)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000795887646 629722956 /nfs/dbraw/zinc/72/29/56/629722956.db2.gz SAESFPBHWAEJSY-SJLPKXTDSA-N 1 2 289.467 3.431 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccccc1 ZINC000796641236 629808881 /nfs/dbraw/zinc/80/88/81/629808881.db2.gz NINIHURGULBDCW-UHFFFAOYSA-N 1 2 297.354 3.010 20 30 CGEDLO C#CC[N@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccccc1 ZINC000796641236 629808883 /nfs/dbraw/zinc/80/88/83/629808883.db2.gz NINIHURGULBDCW-UHFFFAOYSA-N 1 2 297.354 3.010 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000797998254 630013079 /nfs/dbraw/zinc/01/30/79/630013079.db2.gz DGEQVSHNJRCLEN-UVWXRNBGSA-N 1 2 297.345 3.302 20 30 CGEDLO Cc1cc(C#N)ccc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376656 630087228 /nfs/dbraw/zinc/08/72/28/630087228.db2.gz XRNVGHBNILNAKD-UHFFFAOYSA-N 1 2 253.349 3.409 20 30 CGEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799107378 630143359 /nfs/dbraw/zinc/14/33/59/630143359.db2.gz XNEATTBGGKOPOE-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(Cl)cn1)[C@@H]1CCc2ccccc21 ZINC000799116548 630145817 /nfs/dbraw/zinc/14/58/17/630145817.db2.gz NONUHSOLGCHLIZ-MRXNPFEDSA-N 1 2 297.789 3.253 20 30 CGEDLO C#CC[N@H+](Cc1cnc(Cl)cn1)[C@@H]1CCc2ccccc21 ZINC000799116548 630145823 /nfs/dbraw/zinc/14/58/23/630145823.db2.gz NONUHSOLGCHLIZ-MRXNPFEDSA-N 1 2 297.789 3.253 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)oc1C ZINC000799896180 630241045 /nfs/dbraw/zinc/24/10/45/630241045.db2.gz HBMWSARNDUWXSB-VOTSOKGWSA-N 1 2 266.300 3.440 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840040501 630521082 /nfs/dbraw/zinc/52/10/82/630521082.db2.gz FICDORCVBNMLQS-MRXNPFEDSA-N 1 2 284.403 3.206 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840040501 630521085 /nfs/dbraw/zinc/52/10/85/630521085.db2.gz FICDORCVBNMLQS-MRXNPFEDSA-N 1 2 284.403 3.206 20 30 CGEDLO COC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)c(F)c1 ZINC000809577755 630753731 /nfs/dbraw/zinc/75/37/31/630753731.db2.gz BWBSEDXKVFJIFC-OAHLLOKOSA-N 1 2 294.345 3.326 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811454229 631067078 /nfs/dbraw/zinc/06/70/78/631067078.db2.gz HRMZGVBSCKZFDA-AWEZNQCLSA-N 1 2 297.443 3.161 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811454229 631067081 /nfs/dbraw/zinc/06/70/81/631067081.db2.gz HRMZGVBSCKZFDA-AWEZNQCLSA-N 1 2 297.443 3.161 20 30 CGEDLO CC(=[NH+]Nc1c(C)cc(C)cc1C)c1csc(N)n1 ZINC000812434958 631260423 /nfs/dbraw/zinc/26/04/23/631260423.db2.gz YNVWXZTXAZNRTC-UHFFFAOYSA-N 1 2 274.393 3.487 20 30 CGEDLO CCC(=[NH+]NC(=S)Nc1ccccc1)c1cccc(N)c1 ZINC000814713654 631628387 /nfs/dbraw/zinc/62/83/87/631628387.db2.gz FIGHDDBITKVCJL-UHFFFAOYSA-N 1 2 298.415 3.370 20 30 CGEDLO CC(=[NH+]NCc1cccc(F)c1)c1cc(N)ccc1F ZINC000814804921 631643919 /nfs/dbraw/zinc/64/39/19/631643919.db2.gz KVGYBVUUAKCTDS-UHFFFAOYSA-N 1 2 275.302 3.061 20 30 CGEDLO CC(=[NH+]Nc1cccc2cnccc21)c1ccc(N)nc1 ZINC000814836755 631651988 /nfs/dbraw/zinc/65/19/88/631651988.db2.gz ZPAZCFRVLFBVSN-UHFFFAOYSA-N 1 2 277.331 3.048 20 30 CGEDLO COc1ccc(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)nc1 ZINC000814910279 631677897 /nfs/dbraw/zinc/67/78/97/631677897.db2.gz YQTFOEWDUSSBBP-LLVKDONJSA-N 1 2 294.358 3.209 20 30 CGEDLO Cn1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1Cl ZINC000815132111 631726231 /nfs/dbraw/zinc/72/62/31/631726231.db2.gz UTGAFKRWCKDQKT-AWEZNQCLSA-N 1 2 288.782 3.208 20 30 CGEDLO C[N@H+](Cc1cccc(Cl)c1O)CC(C)(C)C#N ZINC000816632466 632029121 /nfs/dbraw/zinc/02/91/21/632029121.db2.gz KAZBOAQNKNBXTI-UHFFFAOYSA-N 1 2 252.745 3.027 20 30 CGEDLO C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(C)C#N ZINC000816632466 632029123 /nfs/dbraw/zinc/02/91/23/632029123.db2.gz KAZBOAQNKNBXTI-UHFFFAOYSA-N 1 2 252.745 3.027 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000817408907 632140097 /nfs/dbraw/zinc/14/00/97/632140097.db2.gz RUYQVZSAKWMDHH-CQSZACIVSA-N 1 2 287.794 3.236 20 30 CGEDLO COCc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866220378 633033571 /nfs/dbraw/zinc/03/35/71/633033571.db2.gz GGNJEQHGGCKRCY-ZDUSSCGKSA-N 1 2 296.370 3.261 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866307131 633074575 /nfs/dbraw/zinc/07/45/75/633074575.db2.gz RKADTUVDIJTHNT-ZYHUDNBSSA-N 1 2 280.318 3.492 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(C#N)c1O ZINC000866336905 633085424 /nfs/dbraw/zinc/08/54/24/633085424.db2.gz SQLUUOATIMQYPE-AAEUAGOBSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866351939 633093975 /nfs/dbraw/zinc/09/39/75/633093975.db2.gz TZHNYRSJGBLPPL-WDEREUQCSA-N 1 2 280.318 3.350 20 30 CGEDLO CC(C)SCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866356770 633098822 /nfs/dbraw/zinc/09/88/22/633098822.db2.gz OUHTVAHAIPBNLZ-NSHDSACASA-N 1 2 264.394 3.056 20 30 CGEDLO COCC1(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866364163 633102389 /nfs/dbraw/zinc/10/23/89/633102389.db2.gz PUGZTNZNORINEI-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1c(F)cncc1Br)C(C)(C)C ZINC000825939560 633389918 /nfs/dbraw/zinc/38/99/18/633389918.db2.gz CDTVDDHSBVQVEQ-GFCCVEGCSA-N 1 2 299.187 3.121 20 30 CGEDLO C#Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC000827786260 633517290 /nfs/dbraw/zinc/51/72/90/633517290.db2.gz HSPPSLSSRSVMAV-WFASDCNBSA-N 1 2 297.320 3.210 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1 ZINC000827786260 633517291 /nfs/dbraw/zinc/51/72/91/633517291.db2.gz HSPPSLSSRSVMAV-WFASDCNBSA-N 1 2 297.320 3.210 20 30 CGEDLO COCc1cc[nH+]c(NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000846118429 636147448 /nfs/dbraw/zinc/14/74/48/636147448.db2.gz XUIIERXYFNGCKZ-CYBMUJFWSA-N 1 2 297.358 3.131 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000876617633 634869203 /nfs/dbraw/zinc/86/92/03/634869203.db2.gz RBMQJXYCOVPASD-LBPRGKRZSA-N 1 2 264.344 3.206 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000876617633 634869206 /nfs/dbraw/zinc/86/92/06/634869206.db2.gz RBMQJXYCOVPASD-LBPRGKRZSA-N 1 2 264.344 3.206 20 30 CGEDLO CCCOc1ccc(C[N@@H+](CCC#N)CCOC)cc1C ZINC000876691714 634882394 /nfs/dbraw/zinc/88/23/94/634882394.db2.gz OWVUBMIFYVJRIG-UHFFFAOYSA-N 1 2 290.407 3.146 20 30 CGEDLO CCCOc1ccc(C[N@H+](CCC#N)CCOC)cc1C ZINC000876691714 634882397 /nfs/dbraw/zinc/88/23/97/634882397.db2.gz OWVUBMIFYVJRIG-UHFFFAOYSA-N 1 2 290.407 3.146 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000877540189 635079183 /nfs/dbraw/zinc/07/91/83/635079183.db2.gz ZEUDFFKLNFGPHO-CQSZACIVSA-N 1 2 287.794 3.371 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000877540189 635079189 /nfs/dbraw/zinc/07/91/89/635079189.db2.gz ZEUDFFKLNFGPHO-CQSZACIVSA-N 1 2 287.794 3.371 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OCC ZINC000877672251 635141533 /nfs/dbraw/zinc/14/15/33/635141533.db2.gz ZQYPLBCDSFVTIE-CHWSQXEVSA-N 1 2 271.788 3.007 20 30 CGEDLO COc1cccc(-c2nc(C[NH+]3CCC(C#N)CC3)co2)c1 ZINC000878016811 635322144 /nfs/dbraw/zinc/32/21/44/635322144.db2.gz XKDVACAYNAWIEL-UHFFFAOYSA-N 1 2 297.358 3.086 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC000880443813 636000951 /nfs/dbraw/zinc/00/09/51/636000951.db2.gz FVTLHBJHXYYDCG-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC000880443813 636000957 /nfs/dbraw/zinc/00/09/57/636000957.db2.gz FVTLHBJHXYYDCG-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO C#CC[C@@H](Cc1ccccc1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845559760 636048280 /nfs/dbraw/zinc/04/82/80/636048280.db2.gz ZTRMPMKNDGTDNA-WBVHZDCISA-N 1 2 296.370 3.012 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000847024883 636315844 /nfs/dbraw/zinc/31/58/44/636315844.db2.gz MBINNAQEAVDUIA-QWHCGFSZSA-N 1 2 278.421 3.086 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000847024883 636315849 /nfs/dbraw/zinc/31/58/49/636315849.db2.gz MBINNAQEAVDUIA-QWHCGFSZSA-N 1 2 278.421 3.086 20 30 CGEDLO CC(C)[C@@H]1CCCC(N=NCCCn2cc[nH+]c2)C1 ZINC000848416913 636571197 /nfs/dbraw/zinc/57/11/97/636571197.db2.gz CTISHUPFWCIWBS-CQSZACIVSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(CCC1CCCC1)=NNCCCn1cc[nH+]c1 ZINC000848418232 636572579 /nfs/dbraw/zinc/57/25/79/636572579.db2.gz LDOAHHYGTJRAJD-UHFFFAOYSA-N 1 2 262.401 3.209 20 30 CGEDLO C=CCC[C@@H](Nc1cc(COC)cc[nH+]1)[C@@H]1CCCO1 ZINC000883233714 636603240 /nfs/dbraw/zinc/60/32/40/636603240.db2.gz OEEHGKFQNKBIJN-CABCVRRESA-N 1 2 276.380 3.154 20 30 CGEDLO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000886433325 637530977 /nfs/dbraw/zinc/53/09/77/637530977.db2.gz GQAHQICFLXXJEE-SFHVURJKSA-N 1 2 298.361 3.171 20 30 CGEDLO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000886433325 637530983 /nfs/dbraw/zinc/53/09/83/637530983.db2.gz GQAHQICFLXXJEE-SFHVURJKSA-N 1 2 298.361 3.171 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000852672215 637693096 /nfs/dbraw/zinc/69/30/96/637693096.db2.gz AIOMCCYKDNMCTN-UHFFFAOYSA-N 1 2 285.322 3.065 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCNc1ccccc1 ZINC000853352381 637822325 /nfs/dbraw/zinc/82/23/25/637822325.db2.gz RGLICOUDAOBGCA-UHFFFAOYSA-N 1 2 295.386 3.398 20 30 CGEDLO CC(C)c1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000853370312 637826631 /nfs/dbraw/zinc/82/66/31/637826631.db2.gz JSSWRAWFACZJEB-UHFFFAOYSA-N 1 2 270.380 3.020 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)Cc1ccncc1 ZINC000853413597 637839142 /nfs/dbraw/zinc/83/91/42/637839142.db2.gz RPLHLRLXMBQPRJ-HNNXBMFYSA-N 1 2 295.386 3.312 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCOC1(C)C ZINC000853966278 637966520 /nfs/dbraw/zinc/96/65/20/637966520.db2.gz RVMRSPCMIYDLAB-AWEZNQCLSA-N 1 2 288.391 3.101 20 30 CGEDLO C=CCCc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924083708 638297051 /nfs/dbraw/zinc/29/70/51/638297051.db2.gz JRAVZGHQXDZSJE-LBPRGKRZSA-N 1 2 260.341 3.020 20 30 CGEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000924977470 638434413 /nfs/dbraw/zinc/43/44/13/638434413.db2.gz ASOXGKMMVBGFSF-AWEZNQCLSA-N 1 2 285.322 3.161 20 30 CGEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cn(C)cn1 ZINC000925600616 638541199 /nfs/dbraw/zinc/54/11/99/638541199.db2.gz HIWOKQOOXHULEF-DZGCQCFKSA-N 1 2 268.364 3.116 20 30 CGEDLO C=C[C@H](CC)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000929806241 638953305 /nfs/dbraw/zinc/95/33/05/638953305.db2.gz INSMPSKRMCAONB-CYBMUJFWSA-N 1 2 269.348 3.413 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc(N(C)C)c2ccccc12 ZINC000929833485 638955591 /nfs/dbraw/zinc/95/55/91/638955591.db2.gz YWZLNURZYTYCDJ-CYBMUJFWSA-N 1 2 282.391 3.035 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc(N(C)C)c2ccccc12 ZINC000929833485 638955594 /nfs/dbraw/zinc/95/55/94/638955594.db2.gz YWZLNURZYTYCDJ-CYBMUJFWSA-N 1 2 282.391 3.035 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000930906526 639085628 /nfs/dbraw/zinc/08/56/28/639085628.db2.gz ZKWDMLMUGQWFBB-CQSZACIVSA-N 1 2 283.375 3.091 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000932151568 639276514 /nfs/dbraw/zinc/27/65/14/639276514.db2.gz ZKLPQLGEKWEQEE-UAGQMJEPSA-N 1 2 270.376 3.142 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000932151568 639276528 /nfs/dbraw/zinc/27/65/28/639276528.db2.gz ZKLPQLGEKWEQEE-UAGQMJEPSA-N 1 2 270.376 3.142 20 30 CGEDLO C#CCC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000860124046 639285949 /nfs/dbraw/zinc/28/59/49/639285949.db2.gz LUNLMZGDIROCLL-AWEZNQCLSA-N 1 2 251.320 3.208 20 30 CGEDLO C#CCC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000860124046 639285958 /nfs/dbraw/zinc/28/59/58/639285958.db2.gz LUNLMZGDIROCLL-AWEZNQCLSA-N 1 2 251.320 3.208 20 30 CGEDLO C=C(C)CC[N@@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC000932257508 639302909 /nfs/dbraw/zinc/30/29/09/639302909.db2.gz AKNTUPYTJLGGQJ-LBPRGKRZSA-N 1 2 296.212 3.342 20 30 CGEDLO C=C(C)CC[N@H+]1CCC[C@H]1c1ncc(Br)cn1 ZINC000932257508 639302914 /nfs/dbraw/zinc/30/29/14/639302914.db2.gz AKNTUPYTJLGGQJ-LBPRGKRZSA-N 1 2 296.212 3.342 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000934469839 639616131 /nfs/dbraw/zinc/61/61/31/639616131.db2.gz IGTVOFWAUNSZCR-NEPJUHHUSA-N 1 2 278.783 3.317 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1Cl ZINC000934469839 639616137 /nfs/dbraw/zinc/61/61/37/639616137.db2.gz IGTVOFWAUNSZCR-NEPJUHHUSA-N 1 2 278.783 3.317 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009151605 640956694 /nfs/dbraw/zinc/95/66/94/640956694.db2.gz HBZCBBFDOIBMIA-ZFWWWQNUSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009151605 640956700 /nfs/dbraw/zinc/95/67/00/640956700.db2.gz HBZCBBFDOIBMIA-ZFWWWQNUSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCCCCCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250613467 805725214 /nfs/dbraw/zinc/72/52/14/805725214.db2.gz BKHOHLBIBLBSJZ-UHFFFAOYSA-N 1 2 285.347 3.183 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3ccc(OCC#N)cc3)[nH+]c2c1 ZINC001250644764 805745977 /nfs/dbraw/zinc/74/59/77/805745977.db2.gz FDIBWBWPDOSVNV-UHFFFAOYSA-N 1 2 292.342 3.198 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NC3(C4CCOCC4)CC3)c2c1 ZINC001156917008 805751427 /nfs/dbraw/zinc/75/14/27/805751427.db2.gz BAKGUUFTHLEPKC-UHFFFAOYSA-N 1 2 293.370 3.478 20 30 CGEDLO Cc1c[nH+]c(N[C@](C)(C#N)c2ccccc2Cl)cc1N ZINC001158482555 805959365 /nfs/dbraw/zinc/95/93/65/805959365.db2.gz NDDWETCOTOUQOP-OAHLLOKOSA-N 1 2 286.766 3.477 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001252124208 806012043 /nfs/dbraw/zinc/01/20/43/806012043.db2.gz POYQPIQQAAFYBZ-SOUVJXGZSA-N 1 2 277.399 3.480 20 30 CGEDLO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001252124208 806012056 /nfs/dbraw/zinc/01/20/56/806012056.db2.gz POYQPIQQAAFYBZ-SOUVJXGZSA-N 1 2 277.399 3.480 20 30 CGEDLO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001252136289 806022470 /nfs/dbraw/zinc/02/24/70/806022470.db2.gz NLMDTZZYTQEJST-CQSZACIVSA-N 1 2 287.444 3.029 20 30 CGEDLO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001252557380 806065020 /nfs/dbraw/zinc/06/50/20/806065020.db2.gz LRKQBIUBPQQACX-LSDHHAIUSA-N 1 2 281.346 3.048 20 30 CGEDLO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001252557380 806065029 /nfs/dbraw/zinc/06/50/29/806065029.db2.gz LRKQBIUBPQQACX-LSDHHAIUSA-N 1 2 281.346 3.048 20 30 CGEDLO COC(=O)c1ccc2cc[nH+]c(NCC(C)(C)S)c2c1 ZINC001159266186 806070869 /nfs/dbraw/zinc/07/08/69/806070869.db2.gz FBACSJFARLWWIH-UHFFFAOYSA-N 1 2 290.388 3.142 20 30 CGEDLO COc1cc[nH+]c(C(C)(C)CNc2ccc(C#N)c(C)n2)c1 ZINC001162129506 806509802 /nfs/dbraw/zinc/50/98/02/806509802.db2.gz IBLKIHRROWHNMD-UHFFFAOYSA-N 1 2 296.374 3.055 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166222 806562515 /nfs/dbraw/zinc/56/25/15/806562515.db2.gz HPAHISLLJBMAET-ZIAGYGMSSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166222 806562520 /nfs/dbraw/zinc/56/25/20/806562520.db2.gz HPAHISLLJBMAET-ZIAGYGMSSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255164515 806562607 /nfs/dbraw/zinc/56/26/07/806562607.db2.gz KXWVZCWMUGQICX-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255164515 806562613 /nfs/dbraw/zinc/56/26/13/806562613.db2.gz KXWVZCWMUGQICX-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC001255173520 806567377 /nfs/dbraw/zinc/56/73/77/806567377.db2.gz BODKBXOROQPCER-MRXNPFEDSA-N 1 2 271.408 3.118 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255347853 806623683 /nfs/dbraw/zinc/62/36/83/806623683.db2.gz GPOLKHPJXJKEFM-TZMCWYRMSA-N 1 2 279.355 3.395 20 30 CGEDLO Cn1c(CNc2[nH+]cccc2CC#N)ccc1C(F)(F)F ZINC001162750365 806657343 /nfs/dbraw/zinc/65/73/43/806657343.db2.gz PGVPSBLVHLVFBP-UHFFFAOYSA-N 1 2 294.280 3.117 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)Cc1c(C)noc1C ZINC000127343108 799012899 /nfs/dbraw/zinc/01/28/99/799012899.db2.gz UNSAJNWBHXIIAL-UHFFFAOYSA-N 1 2 286.375 3.488 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1c(C)noc1C ZINC000127343108 799012907 /nfs/dbraw/zinc/01/29/07/799012907.db2.gz UNSAJNWBHXIIAL-UHFFFAOYSA-N 1 2 286.375 3.488 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1O ZINC000254937171 799169032 /nfs/dbraw/zinc/16/90/32/799169032.db2.gz XDEUTYZCOJFIFF-KILPSIMBSA-N 1 2 293.366 3.406 20 30 CGEDLO CCC1(CCNc2[nH+]ccc3ccc(C#N)cc32)OCCO1 ZINC001163352079 806744117 /nfs/dbraw/zinc/74/41/17/806744117.db2.gz JQOBHMOMBYCVKP-UHFFFAOYSA-N 1 2 297.358 3.062 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000398069868 799525157 /nfs/dbraw/zinc/52/51/57/799525157.db2.gz DFFXMOUUZPANQI-SMDDNHRTSA-N 1 2 280.318 3.427 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC000400351044 799544993 /nfs/dbraw/zinc/54/49/93/799544993.db2.gz SHCGTIAFJGCGSW-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC2(CC2)C1 ZINC000400351044 799544994 /nfs/dbraw/zinc/54/49/94/799544994.db2.gz SHCGTIAFJGCGSW-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO CCOc1ccc[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC000404565467 799577957 /nfs/dbraw/zinc/57/79/57/799577957.db2.gz BYAZZSWIDXUDLA-UHFFFAOYSA-N 1 2 271.295 3.103 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000695663169 799831178 /nfs/dbraw/zinc/83/11/78/799831178.db2.gz QSLGSGMJBHQVMA-UHFFFAOYSA-N 1 2 262.401 3.010 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000695663169 799831183 /nfs/dbraw/zinc/83/11/83/799831183.db2.gz QSLGSGMJBHQVMA-UHFFFAOYSA-N 1 2 262.401 3.010 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597783 800730651 /nfs/dbraw/zinc/73/06/51/800730651.db2.gz WTBYZQBVYZIDLE-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597783 800730656 /nfs/dbraw/zinc/73/06/56/800730656.db2.gz WTBYZQBVYZIDLE-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641459 800733371 /nfs/dbraw/zinc/73/33/71/800733371.db2.gz IKNLPQWWVNYTLR-RBSFLKMASA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641459 800733372 /nfs/dbraw/zinc/73/33/72/800733372.db2.gz IKNLPQWWVNYTLR-RBSFLKMASA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001031787718 800915836 /nfs/dbraw/zinc/91/58/36/800915836.db2.gz ICAMTIMZXXRSKQ-LSDHHAIUSA-N 1 2 298.858 3.003 20 30 CGEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039052480 801142285 /nfs/dbraw/zinc/14/22/85/801142285.db2.gz AXZJKIZMRDHESR-CRAIPNDOSA-N 1 2 298.430 3.028 20 30 CGEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039052480 801142289 /nfs/dbraw/zinc/14/22/89/801142289.db2.gz AXZJKIZMRDHESR-CRAIPNDOSA-N 1 2 298.430 3.028 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046609159 801318510 /nfs/dbraw/zinc/31/85/10/801318510.db2.gz SSDYFWMCWQZAAJ-XJKSGUPXSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046609159 801318518 /nfs/dbraw/zinc/31/85/18/801318518.db2.gz SSDYFWMCWQZAAJ-XJKSGUPXSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110989318 802153256 /nfs/dbraw/zinc/15/32/56/802153256.db2.gz KUTDRKBRQHVZMF-HGTKMLMNSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110989318 802153259 /nfs/dbraw/zinc/15/32/59/802153259.db2.gz KUTDRKBRQHVZMF-HGTKMLMNSA-N 1 2 296.842 3.063 20 30 CGEDLO CCOc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001117392895 802464799 /nfs/dbraw/zinc/46/47/99/802464799.db2.gz ZXUJFRSYEHAYRP-FMIVXFBMSA-N 1 2 296.370 3.442 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC001118824221 802608199 /nfs/dbraw/zinc/60/81/99/802608199.db2.gz ASZJYQLZLHFEEY-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC001118824221 802608200 /nfs/dbraw/zinc/60/82/00/802608200.db2.gz ASZJYQLZLHFEEY-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO N#CCc1cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)ccn1 ZINC001243979680 803117348 /nfs/dbraw/zinc/11/73/48/803117348.db2.gz UBVPIVKFYSOXAR-UHFFFAOYSA-N 1 2 260.300 3.205 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132069265 803371387 /nfs/dbraw/zinc/37/13/87/803371387.db2.gz RLEMBDIPNPSNGJ-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132069265 803371395 /nfs/dbraw/zinc/37/13/95/803371395.db2.gz RLEMBDIPNPSNGJ-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO N#CCC[N@@H+](Cc1cncc(Cl)c1)C1CCCC1 ZINC001136994476 803668963 /nfs/dbraw/zinc/66/89/63/803668963.db2.gz XDFVZJZPBWRYAM-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1cncc(Cl)c1)C1CCCC1 ZINC001136994476 803668966 /nfs/dbraw/zinc/66/89/66/803668966.db2.gz XDFVZJZPBWRYAM-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1[nH]nc2ccccc21)C1CCCC1 ZINC001137348581 803721411 /nfs/dbraw/zinc/72/14/11/803721411.db2.gz DFJJNUFROXZCES-UHFFFAOYSA-N 1 2 268.364 3.221 20 30 CGEDLO N#CCC[N@@H+](Cc1[nH]nc2ccccc21)C1CCCC1 ZINC001137348581 803721414 /nfs/dbraw/zinc/72/14/14/803721414.db2.gz DFJJNUFROXZCES-UHFFFAOYSA-N 1 2 268.364 3.221 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2F)CC1 ZINC001137873754 803791125 /nfs/dbraw/zinc/79/11/25/803791125.db2.gz SVIMUXDOENFMNC-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2F)CC1 ZINC001137873754 803791133 /nfs/dbraw/zinc/79/11/33/803791133.db2.gz SVIMUXDOENFMNC-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+](CC)CCC#N)c(OC)c1 ZINC001138389507 803912321 /nfs/dbraw/zinc/91/23/21/803912321.db2.gz OZCGILYRFWULRH-UHFFFAOYSA-N 1 2 289.423 3.277 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+](CC)CCC#N)c(OC)c1 ZINC001138389507 803912328 /nfs/dbraw/zinc/91/23/28/803912328.db2.gz OZCGILYRFWULRH-UHFFFAOYSA-N 1 2 289.423 3.277 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001139479715 804193739 /nfs/dbraw/zinc/19/37/39/804193739.db2.gz OQGRFUZITQCFQV-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001139479715 804193744 /nfs/dbraw/zinc/19/37/44/804193744.db2.gz OQGRFUZITQCFQV-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692187 804257082 /nfs/dbraw/zinc/25/70/82/804257082.db2.gz QHKLGEOSFASOHX-LBPRGKRZSA-N 1 2 258.752 3.057 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692187 804257087 /nfs/dbraw/zinc/25/70/87/804257087.db2.gz QHKLGEOSFASOHX-LBPRGKRZSA-N 1 2 258.752 3.057 20 30 CGEDLO N#CCC[N@H+](Cc1ccncn1)C1CCCCCCC1 ZINC001140344964 804419422 /nfs/dbraw/zinc/41/94/22/804419422.db2.gz DBZGOTIFRQAGIH-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO N#CCC[N@@H+](Cc1ccncn1)C1CCCCCCC1 ZINC001140344964 804419428 /nfs/dbraw/zinc/41/94/28/804419428.db2.gz DBZGOTIFRQAGIH-UHFFFAOYSA-N 1 2 272.396 3.305 20 30 CGEDLO COc1ccc(-c2cccc(C[N@@H+]3CC[C@@H](C#N)C3)n2)cc1 ZINC001140958896 804557661 /nfs/dbraw/zinc/55/76/61/804557661.db2.gz GDDIKIJEYRKPSL-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1ccc(-c2cccc(C[N@H+]3CC[C@@H](C#N)C3)n2)cc1 ZINC001140958896 804557666 /nfs/dbraw/zinc/55/76/66/804557666.db2.gz GDDIKIJEYRKPSL-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140958096 804558123 /nfs/dbraw/zinc/55/81/23/804558123.db2.gz IDBSJOBTCILVMU-UHFFFAOYSA-N 1 2 295.386 3.493 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140958096 804558128 /nfs/dbraw/zinc/55/81/28/804558128.db2.gz IDBSJOBTCILVMU-UHFFFAOYSA-N 1 2 295.386 3.493 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1=S ZINC001248447506 804933404 /nfs/dbraw/zinc/93/34/04/804933404.db2.gz XWLHZRODRDTQSP-KBPBESRZSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1=S ZINC001248447506 804933407 /nfs/dbraw/zinc/93/34/07/804933407.db2.gz XWLHZRODRDTQSP-KBPBESRZSA-N 1 2 292.452 3.070 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(Br)cnc1C ZINC001248780627 804991266 /nfs/dbraw/zinc/99/12/66/804991266.db2.gz CKIGHPXQNKGMOY-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(Br)cnc1C ZINC001248780627 804991271 /nfs/dbraw/zinc/99/12/71/804991271.db2.gz CKIGHPXQNKGMOY-UHFFFAOYSA-N 1 2 296.212 3.278 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCc3ncc(Cl)cc3C2)cc1 ZINC001144578954 805009425 /nfs/dbraw/zinc/00/94/25/805009425.db2.gz UFNUDJYUPYFBHZ-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)cc1 ZINC001144578954 805009432 /nfs/dbraw/zinc/00/94/32/805009432.db2.gz UFNUDJYUPYFBHZ-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)CC1 ZINC001249529542 805168606 /nfs/dbraw/zinc/16/86/06/805168606.db2.gz RWOMIVSPMHVZQU-NSHDSACASA-N 1 2 261.394 3.146 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)CC1 ZINC001249529542 805168611 /nfs/dbraw/zinc/16/86/11/805168611.db2.gz RWOMIVSPMHVZQU-NSHDSACASA-N 1 2 261.394 3.146 20 30 CGEDLO N#Cc1ccc(Cl)nc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249584992 805181502 /nfs/dbraw/zinc/18/15/02/805181502.db2.gz SEKOTQJWILLVNR-UHFFFAOYSA-N 1 2 298.655 3.186 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(OC)cc1OCC ZINC001250058746 805395991 /nfs/dbraw/zinc/39/59/91/805395991.db2.gz CGBUQOXMMFVWKK-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC)cc1OCC ZINC001250058746 805395998 /nfs/dbraw/zinc/39/59/98/805395998.db2.gz CGBUQOXMMFVWKK-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCCCC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257513289 807188381 /nfs/dbraw/zinc/18/83/81/807188381.db2.gz SCTMOZQDQUHOAR-YPMHNXCESA-N 1 2 253.411 3.229 20 30 CGEDLO CCCCC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257513289 807188384 /nfs/dbraw/zinc/18/83/84/807188384.db2.gz SCTMOZQDQUHOAR-YPMHNXCESA-N 1 2 253.411 3.229 20 30 CGEDLO Cc1cc2cc(NCc3ccccc3C#N)[nH+]cc2[nH]1 ZINC001167634070 807220908 /nfs/dbraw/zinc/22/09/08/807220908.db2.gz SSGYKQXGHKHJFI-UHFFFAOYSA-N 1 2 262.316 3.355 20 30 CGEDLO N#CC1([NH2+]C2CCC(c3ccccc3)CC2)CCOCC1 ZINC001257995497 807261672 /nfs/dbraw/zinc/26/16/72/807261672.db2.gz SWXSKVHPESDKHO-UHFFFAOYSA-N 1 2 284.403 3.375 20 30 CGEDLO CCCCCCC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001258044548 807273231 /nfs/dbraw/zinc/27/32/31/807273231.db2.gz QHIQMQOMJMCZOA-RDBSUJKOSA-N 1 2 273.392 3.321 20 30 CGEDLO CCCCCCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001258044548 807273235 /nfs/dbraw/zinc/27/32/35/807273235.db2.gz QHIQMQOMJMCZOA-RDBSUJKOSA-N 1 2 273.392 3.321 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)OC ZINC001168170079 807331829 /nfs/dbraw/zinc/33/18/29/807331829.db2.gz HIIBYCHNUMPFMX-BLLLJJGKSA-N 1 2 295.810 3.368 20 30 CGEDLO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258792963 807615121 /nfs/dbraw/zinc/61/51/21/807615121.db2.gz ZLOOCKKYCLKAPY-UBHSHLNASA-N 1 2 267.438 3.475 20 30 CGEDLO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258792963 807615125 /nfs/dbraw/zinc/61/51/25/807615125.db2.gz ZLOOCKKYCLKAPY-UBHSHLNASA-N 1 2 267.438 3.475 20 30 CGEDLO C#C[C@](C)(CC)Nc1ccc(C)cc1C[NH+]1CCOCC1 ZINC001169700070 807691607 /nfs/dbraw/zinc/69/16/07/807691607.db2.gz GXFQYIWOQHFWJH-GOSISDBHSA-N 1 2 286.419 3.041 20 30 CGEDLO C#C[C@](C)(CC)Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169700508 807691746 /nfs/dbraw/zinc/69/17/46/807691746.db2.gz PZSYOTSDGAWZDM-QGZVFWFLSA-N 1 2 281.359 3.269 20 30 CGEDLO C#C[C@@](C)(CC)Nc1cc[nH+]c2c(OC)cccc12 ZINC001169701305 807693276 /nfs/dbraw/zinc/69/32/76/807693276.db2.gz GOSQJRHAGYLSBZ-INIZCTEOSA-N 1 2 254.333 3.457 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1ccccc1Cl)C(=O)OC ZINC001170265168 807809245 /nfs/dbraw/zinc/80/92/45/807809245.db2.gz FCNFYBHKYDATKP-BLLLJJGKSA-N 1 2 295.810 3.368 20 30 CGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC(=O)C2)CC1 ZINC001170389615 807833804 /nfs/dbraw/zinc/83/38/04/807833804.db2.gz WEKUHWQDUJIJPT-UHFFFAOYSA-N 1 2 282.387 3.055 20 30 CGEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCCC(=O)C2)CC1 ZINC001170389615 807833810 /nfs/dbraw/zinc/83/38/10/807833810.db2.gz WEKUHWQDUJIJPT-UHFFFAOYSA-N 1 2 282.387 3.055 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050931 807972506 /nfs/dbraw/zinc/97/25/06/807972506.db2.gz UFNFYQAHOZABFR-GXTWGEPZSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171050931 807972512 /nfs/dbraw/zinc/97/25/12/807972512.db2.gz UFNFYQAHOZABFR-GXTWGEPZSA-N 1 2 274.795 3.433 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548214 808090649 /nfs/dbraw/zinc/09/06/49/808090649.db2.gz WMLQBLMEJMVZSQ-MEDUHNTESA-N 1 2 294.320 3.197 20 30 CGEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548214 808090655 /nfs/dbraw/zinc/09/06/55/808090655.db2.gz WMLQBLMEJMVZSQ-MEDUHNTESA-N 1 2 294.320 3.197 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001266853059 808324484 /nfs/dbraw/zinc/32/44/84/808324484.db2.gz DMGSGOHBWOCQFL-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001266853059 808324492 /nfs/dbraw/zinc/32/44/92/808324492.db2.gz DMGSGOHBWOCQFL-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001172561683 808389092 /nfs/dbraw/zinc/38/90/92/808389092.db2.gz XXCJLTJMEWNZAZ-VXIBKDFQSA-N 1 2 299.414 3.420 20 30 CGEDLO CC(C)C[C@H](C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172652745 808409309 /nfs/dbraw/zinc/40/93/09/808409309.db2.gz UNEJRPBUVBFIOI-GFCCVEGCSA-N 1 2 252.402 3.250 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([NH2+][C@](C)(C#N)C(C)C)CC2 ZINC001172827464 808449191 /nfs/dbraw/zinc/44/91/91/808449191.db2.gz AZBLTEPOTLHYFZ-DLBZAZTESA-N 1 2 256.393 3.380 20 30 CGEDLO C=CC1(CC(=O)NC2C[NH+](CC=C(C)C)C2)CCCCC1 ZINC001267661411 808465994 /nfs/dbraw/zinc/46/59/94/808465994.db2.gz IOVKCJDLDPMMPK-UHFFFAOYSA-N 1 2 290.451 3.280 20 30 CGEDLO CCCOC1CCC([NH2+][C@](C)(C#N)CCC)CC1 ZINC001173096532 808507414 /nfs/dbraw/zinc/50/74/14/808507414.db2.gz ZTFUEEXFXHNSTI-NRXISQOPSA-N 1 2 252.402 3.396 20 30 CGEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001173624515 808656062 /nfs/dbraw/zinc/65/60/62/808656062.db2.gz ZYTHFVTZSHOYKP-HUUCEWRRSA-N 1 2 292.423 3.314 20 30 CGEDLO C#Cc1cccnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085373 815228821 /nfs/dbraw/zinc/22/88/21/815228821.db2.gz DZSYRKYXHCHUEY-UHFFFAOYSA-N 1 2 260.300 3.197 20 30 CGEDLO N#Cc1ncc(F)cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213088142 815230070 /nfs/dbraw/zinc/23/00/70/815230070.db2.gz RANQBKAWIZQFML-UHFFFAOYSA-N 1 2 279.278 3.226 20 30 CGEDLO N#Cc1ccncc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086376 815230337 /nfs/dbraw/zinc/23/03/37/815230337.db2.gz OQOXBECRSOHGIR-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO C=CCN1CC[C@]2(CCC[N@@H+](c3ccc(C)cc3)CC2)C1=O ZINC001274799202 808886987 /nfs/dbraw/zinc/88/69/87/808886987.db2.gz FSJSOUJXSRNEQJ-LJQANCHMSA-N 1 2 298.430 3.390 20 30 CGEDLO C=CCN1CC[C@]2(CCC[N@H+](c3ccc(C)cc3)CC2)C1=O ZINC001274799202 808886994 /nfs/dbraw/zinc/88/69/94/808886994.db2.gz FSJSOUJXSRNEQJ-LJQANCHMSA-N 1 2 298.430 3.390 20 30 CGEDLO CN(C)c1ccc(Nc2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC001174400246 808997213 /nfs/dbraw/zinc/99/72/13/808997213.db2.gz LAAWCKAQZVTJHJ-UHFFFAOYSA-N 1 2 272.739 3.416 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001282830490 809265207 /nfs/dbraw/zinc/26/52/07/809265207.db2.gz AOXPXPVDBBADOE-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001282830490 809265209 /nfs/dbraw/zinc/26/52/09/809265209.db2.gz AOXPXPVDBBADOE-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001282824034 809265757 /nfs/dbraw/zinc/26/57/57/809265757.db2.gz RMYODOBIVKQQKR-VDBIKXPHSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001282824034 809265763 /nfs/dbraw/zinc/26/57/63/809265763.db2.gz RMYODOBIVKQQKR-VDBIKXPHSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001284132320 809298171 /nfs/dbraw/zinc/29/81/71/809298171.db2.gz PFZDYUPCVHUVKE-ZIAGYGMSSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001284132320 809298175 /nfs/dbraw/zinc/29/81/75/809298175.db2.gz PFZDYUPCVHUVKE-ZIAGYGMSSA-N 1 2 284.831 3.064 20 30 CGEDLO CN(C)c1ccc(Nc2ccc(F)c(C#N)c2F)c[nH+]1 ZINC001175344339 809367894 /nfs/dbraw/zinc/36/78/94/809367894.db2.gz FISQQMKBQZIGAA-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO Cc1cc(Cl)nc(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175343049 809368617 /nfs/dbraw/zinc/36/86/17/809368617.db2.gz VBPJANXWKFJMKZ-UHFFFAOYSA-N 1 2 287.754 3.120 20 30 CGEDLO N#Cc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cs1 ZINC001292300001 809430043 /nfs/dbraw/zinc/43/00/43/809430043.db2.gz WWFDNRNZZWXLKH-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO COc1cc(C#N)c(F)cc1Nc1c[nH+]c(C)cc1C ZINC001213518349 815296362 /nfs/dbraw/zinc/29/63/62/815296362.db2.gz JIOWYLOIDLWDDG-UHFFFAOYSA-N 1 2 271.295 3.461 20 30 CGEDLO Cc1c[nH+]cc(Nc2nc(Cl)ccc2C#N)c1C ZINC001213524886 815298589 /nfs/dbraw/zinc/29/85/89/815298589.db2.gz HXPMVVJICNKVPL-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO COC(=O)c1cc(Nc2c[nH+]cc(C)c2C)ccc1C#N ZINC001213534167 815302056 /nfs/dbraw/zinc/30/20/56/815302056.db2.gz PRQUIGUOJMBVCQ-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C1CC2(C1)CCCC2)C(=O)OCC ZINC001183549754 810151876 /nfs/dbraw/zinc/15/18/76/810151876.db2.gz DLJCTWAUXAQYMH-AWEZNQCLSA-N 1 2 265.397 3.197 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccnc(C#N)c1 ZINC001184523842 810208122 /nfs/dbraw/zinc/20/81/22/810208122.db2.gz BHDASDRGOCDINP-UHFFFAOYSA-N 1 2 278.359 3.027 20 30 CGEDLO COc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1C#N ZINC001184967952 810226399 /nfs/dbraw/zinc/22/63/99/810226399.db2.gz HISQLOWPOQRTAL-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2ccncc2C#N)cc1 ZINC001214020364 815357483 /nfs/dbraw/zinc/35/74/83/815357483.db2.gz CXAFULLZZDPLOE-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2ccncc2C#N)cc1 ZINC001214020364 815357488 /nfs/dbraw/zinc/35/74/88/815357488.db2.gz CXAFULLZZDPLOE-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc2cnccc2o1 ZINC001197229035 811406176 /nfs/dbraw/zinc/40/61/76/811406176.db2.gz AXGHWGYKMDEUAL-VIFPVBQESA-N 1 2 284.344 3.007 20 30 CGEDLO C#Cc1cc(Nc2cc(OCCC)ncc2Cl)cc[nH+]1 ZINC001214730938 815446668 /nfs/dbraw/zinc/44/66/68/815446668.db2.gz NGQWVQLUWZNEOL-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO CCCCCCCCCC[N@H+](C)Cc1nnc[nH]1 ZINC001237612700 819786209 /nfs/dbraw/zinc/78/62/09/819786209.db2.gz YIMAWBRPIZFWAR-UHFFFAOYSA-N 1 2 252.406 3.377 20 30 CGEDLO CCCCCCCCCC[N@@H+](C)Cc1nnc[nH]1 ZINC001237612700 819786217 /nfs/dbraw/zinc/78/62/17/819786217.db2.gz YIMAWBRPIZFWAR-UHFFFAOYSA-N 1 2 252.406 3.377 20 30 CGEDLO C#Cc1cc(Nc2ccc(Cl)c(C)c2F)cc[nH+]1 ZINC001215524852 815529746 /nfs/dbraw/zinc/52/97/46/815529746.db2.gz WSJSXCQRSIERTK-UHFFFAOYSA-N 1 2 260.699 3.329 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC001204221743 812576724 /nfs/dbraw/zinc/57/67/24/812576724.db2.gz DKWWVHKQIXHZIK-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC001204221743 812576729 /nfs/dbraw/zinc/57/67/29/812576729.db2.gz DKWWVHKQIXHZIK-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001204306701 812606811 /nfs/dbraw/zinc/60/68/11/812606811.db2.gz XSOYRMDPRBMIRU-KRWDZBQOSA-N 1 2 295.386 3.379 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001204306701 812606814 /nfs/dbraw/zinc/60/68/14/812606814.db2.gz XSOYRMDPRBMIRU-KRWDZBQOSA-N 1 2 295.386 3.379 20 30 CGEDLO COc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)ccc1F ZINC001204557262 812677571 /nfs/dbraw/zinc/67/75/71/812677571.db2.gz RHOLVPSOYVHYOV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)ccc1F ZINC001204557262 812677577 /nfs/dbraw/zinc/67/75/77/812677577.db2.gz RHOLVPSOYVHYOV-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C#Cc1ccc(Nc2ccn3cc[nH+]c3c2)cc1F ZINC001205005950 812820809 /nfs/dbraw/zinc/82/08/09/812820809.db2.gz PPXSEZJHNGVFEJ-UHFFFAOYSA-N 1 2 251.264 3.198 20 30 CGEDLO Cc1nc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)co1 ZINC001206040392 813177994 /nfs/dbraw/zinc/17/79/94/813177994.db2.gz DAKVNTBLOUBTLH-UHFFFAOYSA-N 1 2 281.359 3.040 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cnc2ccccc2n1 ZINC001207684404 813636133 /nfs/dbraw/zinc/63/61/33/813636133.db2.gz DSKSHLARLQPNRJ-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cnc2ccccc2n1 ZINC001207684404 813636137 /nfs/dbraw/zinc/63/61/37/813636137.db2.gz DSKSHLARLQPNRJ-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO CCCC[N@H+](CC#N)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208226184 813750010 /nfs/dbraw/zinc/75/00/10/813750010.db2.gz MZBSRINNLDCACB-AWEZNQCLSA-N 1 2 288.391 3.220 20 30 CGEDLO CCCC[N@@H+](CC#N)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208226184 813750014 /nfs/dbraw/zinc/75/00/14/813750014.db2.gz MZBSRINNLDCACB-AWEZNQCLSA-N 1 2 288.391 3.220 20 30 CGEDLO N#CCC1C[NH+](Cc2cc3cc(Cl)ccc3[nH]2)C1 ZINC001209719411 814119501 /nfs/dbraw/zinc/11/95/01/814119501.db2.gz WRGIPXWSHUHNAC-UHFFFAOYSA-N 1 2 259.740 3.167 20 30 CGEDLO Cc1ccc(C#N)cc1Nc1[nH+]cccc1N(C)C ZINC001210500517 814491119 /nfs/dbraw/zinc/49/11/19/814491119.db2.gz ADAVWXILRKHNOC-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO C[C@H]1CC(=O)C=C(Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210770940 814617023 /nfs/dbraw/zinc/61/70/23/814617023.db2.gz RBDFKVIDOITNHX-GFCCVEGCSA-N 1 2 267.332 3.167 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(Cl)c(F)c2)cc[nH+]1 ZINC001210840913 814648268 /nfs/dbraw/zinc/64/82/68/814648268.db2.gz AXCNNVVMJYBFSJ-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO C#Cc1cc(Nc2ccc(SC)cc2F)cc[nH+]1 ZINC001210870241 814660196 /nfs/dbraw/zinc/66/01/96/814660196.db2.gz SSQUHHVUONKENU-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO CC#Cc1cncc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001211058595 814725958 /nfs/dbraw/zinc/72/59/58/814725958.db2.gz BALVSBIOQUBRNR-UHFFFAOYSA-N 1 2 288.354 3.441 20 30 CGEDLO CCCOc1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001211385733 814888471 /nfs/dbraw/zinc/88/84/71/814888471.db2.gz VMPJCIMKRREYEO-UHFFFAOYSA-N 1 2 285.347 3.115 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(SC)c2)cc[nH+]1 ZINC001215902990 815624593 /nfs/dbraw/zinc/62/45/93/815624593.db2.gz SLGWFQNIXLRCAQ-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(SC)cc2F)cc[nH+]1 ZINC001215965479 815643627 /nfs/dbraw/zinc/64/36/27/815643627.db2.gz TZJKIXOPOQPZPN-UHFFFAOYSA-N 1 2 276.311 3.229 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)Oc1cc(N)cc[nH+]1 ZINC001218346574 816173370 /nfs/dbraw/zinc/17/33/70/816173370.db2.gz BMCUITHFKRSKFS-GFCCVEGCSA-N 1 2 270.332 3.369 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(CC#N)c(C(F)(F)F)c1 ZINC001243068148 823233985 /nfs/dbraw/zinc/23/39/85/823233985.db2.gz WAWSKWBCWFREHH-UHFFFAOYSA-N 1 2 265.238 3.172 20 30 CGEDLO C#C[C@@H](Oc1cc2c(cc1OC)CC[NH+]=C2)c1ccccc1 ZINC001228086903 817807988 /nfs/dbraw/zinc/80/79/88/817807988.db2.gz CNDGKBONDDVJCF-QGZVFWFLSA-N 1 2 291.350 3.424 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2CC[C@H](C#N)C2)cc1C(C)C ZINC001231626066 818141021 /nfs/dbraw/zinc/14/10/21/818141021.db2.gz IGDPEUZYUMCFBC-CQSZACIVSA-N 1 2 272.392 3.473 20 30 CGEDLO COc1cc(C)c(C[N@H+]2CC[C@H](C#N)C2)cc1C(C)C ZINC001231626066 818141022 /nfs/dbraw/zinc/14/10/22/818141022.db2.gz IGDPEUZYUMCFBC-CQSZACIVSA-N 1 2 272.392 3.473 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001232608941 818394058 /nfs/dbraw/zinc/39/40/58/818394058.db2.gz BVZZZEIXIWSYRI-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001232608941 818394066 /nfs/dbraw/zinc/39/40/66/818394066.db2.gz BVZZZEIXIWSYRI-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001232608942 818394692 /nfs/dbraw/zinc/39/46/92/818394692.db2.gz BVZZZEIXIWSYRI-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001232608942 818394698 /nfs/dbraw/zinc/39/46/98/818394698.db2.gz BVZZZEIXIWSYRI-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001232677191 818417360 /nfs/dbraw/zinc/41/73/60/818417360.db2.gz CDKWLUTVMCTHEQ-CYBMUJFWSA-N 1 2 285.372 3.057 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001232677191 818417363 /nfs/dbraw/zinc/41/73/63/818417363.db2.gz CDKWLUTVMCTHEQ-CYBMUJFWSA-N 1 2 285.372 3.057 20 30 CGEDLO C[N@H+](Cc1cc(C#N)ccc1O)[C@H]1CCc2ccccc21 ZINC001232680781 818419223 /nfs/dbraw/zinc/41/92/23/818419223.db2.gz HMTJZXWUXMFVPE-KRWDZBQOSA-N 1 2 278.355 3.383 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)[C@H]1CCc2ccccc21 ZINC001232680781 818419227 /nfs/dbraw/zinc/41/92/27/818419227.db2.gz HMTJZXWUXMFVPE-KRWDZBQOSA-N 1 2 278.355 3.383 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(Br)c(C#N)c1 ZINC001232896042 818467372 /nfs/dbraw/zinc/46/73/72/818467372.db2.gz YYNUAYMVZQHSCX-UHFFFAOYSA-N 1 2 292.180 3.056 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)c(C#N)c1 ZINC001232896042 818467378 /nfs/dbraw/zinc/46/73/78/818467378.db2.gz YYNUAYMVZQHSCX-UHFFFAOYSA-N 1 2 292.180 3.056 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCSc3ccccc3C2)n1 ZINC001232926315 818476046 /nfs/dbraw/zinc/47/60/46/818476046.db2.gz IYHUUCRDQFRPDR-UHFFFAOYSA-N 1 2 281.384 3.061 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCSc3ccccc3C2)n1 ZINC001232926315 818476048 /nfs/dbraw/zinc/47/60/48/818476048.db2.gz IYHUUCRDQFRPDR-UHFFFAOYSA-N 1 2 281.384 3.061 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cnc2OC(C)C)C1 ZINC001233166091 818534403 /nfs/dbraw/zinc/53/44/03/818534403.db2.gz CZWIBMMNLHNXLA-ZDUSSCGKSA-N 1 2 292.810 3.367 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cnc2OC(C)C)C1 ZINC001233166091 818534410 /nfs/dbraw/zinc/53/44/10/818534410.db2.gz CZWIBMMNLHNXLA-ZDUSSCGKSA-N 1 2 292.810 3.367 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1O)CC1CCCCC1 ZINC001233386664 818607405 /nfs/dbraw/zinc/60/74/05/818607405.db2.gz CJBUJDNLSARDFN-UHFFFAOYSA-N 1 2 258.365 3.276 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1O)CC1CCCCC1 ZINC001233386664 818607409 /nfs/dbraw/zinc/60/74/09/818607409.db2.gz CJBUJDNLSARDFN-UHFFFAOYSA-N 1 2 258.365 3.276 20 30 CGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588327 818887917 /nfs/dbraw/zinc/88/79/17/818887917.db2.gz MAYLJDIUEDJRFH-DOMZBBRYSA-N 1 2 257.333 3.229 20 30 CGEDLO Cc1c(-c2ccc(F)c(C#N)c2)ccc2[nH+]ccn21 ZINC001235898018 819207601 /nfs/dbraw/zinc/20/76/01/819207601.db2.gz ZOSLHTRDJBMKKI-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CCc1cc(-c2ccc[nH+]c2N)cc(CC)c1C#N ZINC001243476517 823415481 /nfs/dbraw/zinc/41/54/81/823415481.db2.gz BXCCDYGJDOCBBK-UHFFFAOYSA-N 1 2 251.333 3.327 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236772634 819591587 /nfs/dbraw/zinc/59/15/87/819591587.db2.gz RQCAIBKRHPHKFV-UHFFFAOYSA-N 1 2 294.782 3.252 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236772634 819591591 /nfs/dbraw/zinc/59/15/91/819591591.db2.gz RQCAIBKRHPHKFV-UHFFFAOYSA-N 1 2 294.782 3.252 20 30 CGEDLO C=CCCCC[N@@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC001237350870 819733660 /nfs/dbraw/zinc/73/36/60/819733660.db2.gz NLGVWLUEVSRHCN-UHFFFAOYSA-N 1 2 282.409 3.108 20 30 CGEDLO C=CCCCC[N@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC001237350870 819733665 /nfs/dbraw/zinc/73/36/65/819733665.db2.gz NLGVWLUEVSRHCN-UHFFFAOYSA-N 1 2 282.409 3.108 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCCC(F)(F)CC2)c(F)cc1F ZINC001237524715 819770136 /nfs/dbraw/zinc/77/01/36/819770136.db2.gz LMJPZPMDSNOUEX-UHFFFAOYSA-N 1 2 286.272 3.458 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCCC(F)(F)CC2)c(F)cc1F ZINC001237524715 819770140 /nfs/dbraw/zinc/77/01/40/819770140.db2.gz LMJPZPMDSNOUEX-UHFFFAOYSA-N 1 2 286.272 3.458 20 30 CGEDLO N#Cc1ccc2nc(C[N@@H+]3CC[C@@H]3c3ccccc3)cn2c1 ZINC001237606902 819785920 /nfs/dbraw/zinc/78/59/20/819785920.db2.gz QETOGKPDJRWQIQ-QGZVFWFLSA-N 1 2 288.354 3.153 20 30 CGEDLO N#Cc1ccc2nc(C[N@H+]3CC[C@@H]3c3ccccc3)cn2c1 ZINC001237606902 819785924 /nfs/dbraw/zinc/78/59/24/819785924.db2.gz QETOGKPDJRWQIQ-QGZVFWFLSA-N 1 2 288.354 3.153 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC001237944285 819889929 /nfs/dbraw/zinc/88/99/29/819889929.db2.gz CRRXWGAJSGAYRN-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC001237944285 819889942 /nfs/dbraw/zinc/88/99/42/819889942.db2.gz CRRXWGAJSGAYRN-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(F)cc1Cl ZINC001238017039 819913487 /nfs/dbraw/zinc/91/34/87/819913487.db2.gz AIAJGONJFVYSKH-WLLOZRIZSA-N 1 2 279.746 3.141 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(F)cc1Cl ZINC001238017039 819913492 /nfs/dbraw/zinc/91/34/92/819913492.db2.gz AIAJGONJFVYSKH-WLLOZRIZSA-N 1 2 279.746 3.141 20 30 CGEDLO Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001238480449 820019053 /nfs/dbraw/zinc/01/90/53/820019053.db2.gz NIKFMUAJJMBGEQ-AWEZNQCLSA-N 1 2 258.365 3.128 20 30 CGEDLO Cc1ccc(OC(C)C)cc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001238480449 820019061 /nfs/dbraw/zinc/01/90/61/820019061.db2.gz NIKFMUAJJMBGEQ-AWEZNQCLSA-N 1 2 258.365 3.128 20 30 CGEDLO N#Cc1nc2c(cccc2-c2ccc3[nH+]ccn3c2)s1 ZINC001240221991 820899298 /nfs/dbraw/zinc/89/92/98/820899298.db2.gz SDKMRFXUAQVVBF-UHFFFAOYSA-N 1 2 276.324 3.483 20 30 CGEDLO N#Cc1c[nH]c2ccc(-c3ccn4cc[nH+]c4c3)cc12 ZINC001240508751 821103949 /nfs/dbraw/zinc/10/39/49/821103949.db2.gz JUSKAMOSGLWNTL-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#CCc1cc(-c2ccn3cc[nH+]c3c2)ccc1F ZINC001240510461 821105048 /nfs/dbraw/zinc/10/50/48/821105048.db2.gz LEWQBRVGHJNYPB-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1cc2[nH]ccc2c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240511202 821105837 /nfs/dbraw/zinc/10/58/37/821105837.db2.gz BFVYPPAMAYGHID-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ncc2c(c1C#N)CCCC2 ZINC001241241060 821662333 /nfs/dbraw/zinc/66/23/33/821662333.db2.gz WLPZEAZPPIHDDU-UHFFFAOYSA-N 1 2 292.386 3.269 20 30 CGEDLO CC(C)(C)c1cn(CCc2ccc(C#N)cc2)c[nH+]1 ZINC001330322215 935285037 /nfs/dbraw/zinc/28/50/37/935285037.db2.gz BUOUJKRAVJLJQH-UHFFFAOYSA-N 1 2 253.349 3.295 20 30 CGEDLO C=C(CC)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001346666593 936856007 /nfs/dbraw/zinc/85/60/07/936856007.db2.gz QRIHKJNYNFIPJF-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO CCc1ccc(N2CCC(C#N)(c3ccccn3)CC2)[nH+]c1 ZINC001348157717 936912676 /nfs/dbraw/zinc/91/26/76/936912676.db2.gz BJPZKHQPOOGOBM-UHFFFAOYSA-N 1 2 292.386 3.101 20 30 CGEDLO C(=[NH+]N[C@@H]1CCCSC1)c1ccc(N2CCCCC2)o1 ZINC001349854291 936966267 /nfs/dbraw/zinc/96/62/67/936966267.db2.gz MYCUXOQEIOMSFT-CYBMUJFWSA-N 1 2 293.436 3.089 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001505965839 927373283 /nfs/dbraw/zinc/37/32/83/927373283.db2.gz XDYQNFNKFFISNC-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001505965839 927373298 /nfs/dbraw/zinc/37/32/98/927373298.db2.gz XDYQNFNKFFISNC-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001486182013 927996740 /nfs/dbraw/zinc/99/67/40/927996740.db2.gz WJQOSEUBOJFAJD-USJBSMOHSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001486182013 927996747 /nfs/dbraw/zinc/99/67/47/927996747.db2.gz WJQOSEUBOJFAJD-USJBSMOHSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCCCC)CC1 ZINC001198027115 928269999 /nfs/dbraw/zinc/26/99/99/928269999.db2.gz KLJCTSVJLARNMJ-UHFFFAOYSA-N 1 2 286.847 3.244 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCCCC)CC1 ZINC001198027115 928270007 /nfs/dbraw/zinc/27/00/07/928270007.db2.gz KLJCTSVJLARNMJ-UHFFFAOYSA-N 1 2 286.847 3.244 20 30 CGEDLO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001494910853 928276113 /nfs/dbraw/zinc/27/61/13/928276113.db2.gz QIFHTDAJQKOTOH-CABCVRRESA-N 1 2 298.858 3.264 20 30 CGEDLO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494910853 928276121 /nfs/dbraw/zinc/27/61/21/928276121.db2.gz QIFHTDAJQKOTOH-CABCVRRESA-N 1 2 298.858 3.264 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001365289148 937235427 /nfs/dbraw/zinc/23/54/27/937235427.db2.gz VRPWEQSCBGKGQQ-QGZVFWFLSA-N 1 2 281.359 3.066 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001365289148 937235431 /nfs/dbraw/zinc/23/54/31/937235431.db2.gz VRPWEQSCBGKGQQ-QGZVFWFLSA-N 1 2 281.359 3.066 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001443309348 937347021 /nfs/dbraw/zinc/34/70/21/937347021.db2.gz HIIAUGIUNYBIFX-UHFFFAOYSA-N 1 2 281.359 3.313 20 30 CGEDLO C=C1CC[NH+]([C@H](CCc2ccccc2)C(=O)OCC)CC1 ZINC001459451927 937488837 /nfs/dbraw/zinc/48/88/37/937488837.db2.gz GBAMSFMUNQRWNQ-QGZVFWFLSA-N 1 2 287.403 3.203 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115455 931956077 /nfs/dbraw/zinc/95/60/77/931956077.db2.gz AZGQOIOOIPCCKM-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115455 931956089 /nfs/dbraw/zinc/95/60/89/931956089.db2.gz AZGQOIOOIPCCKM-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000197715171 932035026 /nfs/dbraw/zinc/03/50/26/932035026.db2.gz HXUVHGPJSMCECM-UHFFFAOYSA-N 1 2 287.407 3.146 20 30 CGEDLO Cc1cccc(C#N)c1OC1C[NH+](Cc2ccccc2)C1 ZINC001229179763 932111157 /nfs/dbraw/zinc/11/11/57/932111157.db2.gz NTNOPCRIVYCDMU-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO CCC#C[C@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084204 932675935 /nfs/dbraw/zinc/67/59/35/932675935.db2.gz ZRTIUBOMXDBRGT-ZDUSSCGKSA-N 1 2 254.333 3.268 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(C#N)cc1N ZINC001244093959 932707030 /nfs/dbraw/zinc/70/70/30/932707030.db2.gz VDFAPGCEFGZGEY-UHFFFAOYSA-N 1 2 290.326 3.002 20 30 CGEDLO N#Cc1ccc(CC[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC001462421759 937639884 /nfs/dbraw/zinc/63/98/84/937639884.db2.gz RMEJVMOETOKABV-UHFFFAOYSA-N 1 2 286.762 3.250 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccccc1Cl)C(=O)OC ZINC001462507055 937645903 /nfs/dbraw/zinc/64/59/03/937645903.db2.gz SBPFIMWYOVMJCX-DOMZBBRYSA-N 1 2 295.810 3.368 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)n1 ZINC001308728385 933166343 /nfs/dbraw/zinc/16/63/43/933166343.db2.gz GVSZPJAPVOSYQR-UHFFFAOYSA-N 1 2 293.704 3.175 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001308916672 933203835 /nfs/dbraw/zinc/20/38/35/933203835.db2.gz CMXDOIDUUFDNTA-CZUORRHYSA-N 1 2 293.382 3.417 20 30 CGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Cl ZINC001317172892 933546512 /nfs/dbraw/zinc/54/65/12/933546512.db2.gz GOLXTYUQJDKQBL-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Cl ZINC001317172892 933546516 /nfs/dbraw/zinc/54/65/16/933546516.db2.gz GOLXTYUQJDKQBL-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C(CC)(CC)CC)C1 ZINC001318163856 933690440 /nfs/dbraw/zinc/69/04/40/933690440.db2.gz GADURIITEMDPLS-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(=O)OCC ZINC001320787108 934103679 /nfs/dbraw/zinc/10/36/79/934103679.db2.gz ITNSUHBRHSXXLH-AGIUHOORSA-N 1 2 285.453 3.004 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC001320941522 934127335 /nfs/dbraw/zinc/12/73/35/934127335.db2.gz YUCLPTJOIKTJHL-UHFFFAOYSA-N 1 2 273.361 3.414 20 30 CGEDLO Cc1ccsc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001322818220 934337636 /nfs/dbraw/zinc/33/76/36/934337636.db2.gz BNZVNSOBWHDAQA-VOTSOKGWSA-N 1 2 272.373 3.414 20 30 CGEDLO N#Cc1ccnc(/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC001323546881 934406690 /nfs/dbraw/zinc/40/66/90/934406690.db2.gz XZWMJVDLTBMENR-UPHRSURJSA-N 1 2 278.340 3.371 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](C/C=C\C)C2)c1=S ZINC001329197177 935194702 /nfs/dbraw/zinc/19/47/02/935194702.db2.gz XNNDGZNGLGIRDX-PKXJPQMGSA-N 1 2 292.452 3.236 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C/C=C\C)C2)c1=S ZINC001329197177 935194704 /nfs/dbraw/zinc/19/47/04/935194704.db2.gz XNNDGZNGLGIRDX-PKXJPQMGSA-N 1 2 292.452 3.236 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](C/C=C/C)C2)c1=S ZINC001329197175 935194945 /nfs/dbraw/zinc/19/49/45/935194945.db2.gz XNNDGZNGLGIRDX-LYKUJDHUSA-N 1 2 292.452 3.236 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C/C=C/C)C2)c1=S ZINC001329197175 935194949 /nfs/dbraw/zinc/19/49/49/935194949.db2.gz XNNDGZNGLGIRDX-LYKUJDHUSA-N 1 2 292.452 3.236 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001331790796 935409962 /nfs/dbraw/zinc/40/99/62/935409962.db2.gz LRUKUUJIXAMCNP-SNVBAGLBSA-N 1 2 287.737 3.395 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001331790796 935409966 /nfs/dbraw/zinc/40/99/66/935409966.db2.gz LRUKUUJIXAMCNP-SNVBAGLBSA-N 1 2 287.737 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001473764649 937821368 /nfs/dbraw/zinc/82/13/68/937821368.db2.gz ONQURZMZIHXJDH-MRXNPFEDSA-N 1 2 278.359 3.075 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001473764649 937821369 /nfs/dbraw/zinc/82/13/69/937821369.db2.gz ONQURZMZIHXJDH-MRXNPFEDSA-N 1 2 278.359 3.075 20 30 CGEDLO Cc1cc(NCc2nc(C#N)cs2)ccc1-n1cc[nH+]c1 ZINC001474063256 937838145 /nfs/dbraw/zinc/83/81/45/937838145.db2.gz CSTYCBWQNJPEOU-UHFFFAOYSA-N 1 2 295.371 3.121 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(C)ns1)c1ccc(F)cc1 ZINC001474544709 937865952 /nfs/dbraw/zinc/86/59/52/937865952.db2.gz UGTBASFIQGQNKI-AWEZNQCLSA-N 1 2 260.337 3.055 20 30 CGEDLO C#Cc1cccc(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC001475847046 937885961 /nfs/dbraw/zinc/88/59/61/937885961.db2.gz UEJPKOHHNKVARN-UHFFFAOYSA-N 1 2 279.343 3.001 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001505996581 937988735 /nfs/dbraw/zinc/98/87/35/937988735.db2.gz JLITWDZZKNCNKC-CHWSQXEVSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001505996581 937988736 /nfs/dbraw/zinc/98/87/36/937988736.db2.gz JLITWDZZKNCNKC-CHWSQXEVSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001506036677 937989043 /nfs/dbraw/zinc/98/90/43/937989043.db2.gz PUSOZEJVLUAUGQ-GXTWGEPZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001506036677 937989044 /nfs/dbraw/zinc/98/90/44/937989044.db2.gz PUSOZEJVLUAUGQ-GXTWGEPZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(F)c(N(C)C)cc1F ZINC001560715724 938272330 /nfs/dbraw/zinc/27/23/30/938272330.db2.gz SSJMJWBXJGJBJV-UHFFFAOYSA-N 1 2 266.335 3.205 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(=O)OCC ZINC001560837165 938278602 /nfs/dbraw/zinc/27/86/02/938278602.db2.gz KZYAQIWQSMJCKY-IHRRRGAJSA-N 1 2 299.480 3.394 20 30 CGEDLO C[C@@H]1Cc2cc(C[N@@H+]3Cc4ccc(C#N)cc4C3)ccc2O1 ZINC001560905452 938282740 /nfs/dbraw/zinc/28/27/40/938282740.db2.gz BLFMBFAPHWALLC-CYBMUJFWSA-N 1 2 290.366 3.397 20 30 CGEDLO C[C@@H]1Cc2cc(C[N@H+]3Cc4ccc(C#N)cc4C3)ccc2O1 ZINC001560905452 938282741 /nfs/dbraw/zinc/28/27/41/938282741.db2.gz BLFMBFAPHWALLC-CYBMUJFWSA-N 1 2 290.366 3.397 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001570712398 962059061 /nfs/dbraw/zinc/05/90/61/962059061.db2.gz KDMOKGORKMYJCM-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001570712398 962059064 /nfs/dbraw/zinc/05/90/64/962059064.db2.gz KDMOKGORKMYJCM-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001570891920 962112756 /nfs/dbraw/zinc/11/27/56/962112756.db2.gz ZPKHNSABWTWICI-WSROAFLRSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001570891920 962112761 /nfs/dbraw/zinc/11/27/61/962112761.db2.gz ZPKHNSABWTWICI-WSROAFLRSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001571524583 962180960 /nfs/dbraw/zinc/18/09/60/962180960.db2.gz HOMALQAWWFAWQX-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001571524583 962180969 /nfs/dbraw/zinc/18/09/69/962180969.db2.gz HOMALQAWWFAWQX-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1csnn1 ZINC000591053954 346897322 /nfs/dbraw/zinc/89/73/22/346897322.db2.gz CDFNJDHMJQULEO-LLVKDONJSA-N 1 2 286.404 3.190 20 30 CGEDLO CC[C@H](NC(=O)CCC1CCOCC1)c1[nH]cc[nH+]1 ZINC000330133103 529578849 /nfs/dbraw/zinc/57/88/49/529578849.db2.gz QWVLIFLKATXSCL-LBPRGKRZSA-N 1 2 265.357 3.024 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1csnn1)c1ccc(C#N)cc1 ZINC000414294755 529653445 /nfs/dbraw/zinc/65/34/45/529653445.db2.gz DUUOENQCIAPKBH-GWCFXTLKSA-N 1 2 272.377 3.212 20 30 CGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592067176 346959658 /nfs/dbraw/zinc/95/96/58/346959658.db2.gz QEGCCDHNKQSSCE-KRWDZBQOSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592067176 346959660 /nfs/dbraw/zinc/95/96/60/346959660.db2.gz QEGCCDHNKQSSCE-KRWDZBQOSA-N 1 2 293.370 3.299 20 30 CGEDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccncc1C#N)CCC2 ZINC000592079592 346961709 /nfs/dbraw/zinc/96/17/09/346961709.db2.gz CZIMCNIYNRTZFR-OAHLLOKOSA-N 1 2 298.415 3.228 20 30 CGEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccncc1C#N)CCC2 ZINC000592079592 346961710 /nfs/dbraw/zinc/96/17/10/346961710.db2.gz CZIMCNIYNRTZFR-OAHLLOKOSA-N 1 2 298.415 3.228 20 30 CGEDLO C=CC[C@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000273185679 192068669 /nfs/dbraw/zinc/06/86/69/192068669.db2.gz BSKNLCQYWSIIBX-GFCCVEGCSA-N 1 2 263.385 3.072 20 30 CGEDLO Cc1nnsc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000593013432 347027008 /nfs/dbraw/zinc/02/70/08/347027008.db2.gz MOJRFYOWTGMNOX-CABCVRRESA-N 1 2 298.415 3.118 20 30 CGEDLO Cc1nnsc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000593013432 347027009 /nfs/dbraw/zinc/02/70/09/347027009.db2.gz MOJRFYOWTGMNOX-CABCVRRESA-N 1 2 298.415 3.118 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1C#N ZINC000157908281 529994677 /nfs/dbraw/zinc/99/46/77/529994677.db2.gz IACDOYOYSPTYKK-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)ccc1C#N ZINC000157908281 529994679 /nfs/dbraw/zinc/99/46/79/529994679.db2.gz IACDOYOYSPTYKK-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000071230749 345402400 /nfs/dbraw/zinc/40/24/00/345402400.db2.gz GSWDTUWFBCLIMS-UHFFFAOYSA-N 1 2 287.190 3.355 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000071230749 345402403 /nfs/dbraw/zinc/40/24/03/345402403.db2.gz GSWDTUWFBCLIMS-UHFFFAOYSA-N 1 2 287.190 3.355 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605288 345763050 /nfs/dbraw/zinc/76/30/50/345763050.db2.gz JWRSYUVNIUJTDE-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088605288 345763055 /nfs/dbraw/zinc/76/30/55/345763055.db2.gz JWRSYUVNIUJTDE-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CC1 ZINC000091066369 345802442 /nfs/dbraw/zinc/80/24/42/345802442.db2.gz NHWIFGOSIBSVBI-UHFFFAOYSA-N 1 2 280.375 3.037 20 30 CGEDLO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CC1 ZINC000091066369 345802445 /nfs/dbraw/zinc/80/24/45/345802445.db2.gz NHWIFGOSIBSVBI-UHFFFAOYSA-N 1 2 280.375 3.037 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000093100133 345868791 /nfs/dbraw/zinc/86/87/91/345868791.db2.gz SNNQYGOSIZDYEP-UHFFFAOYSA-N 1 2 295.386 3.111 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000093100133 345868795 /nfs/dbraw/zinc/86/87/95/345868795.db2.gz SNNQYGOSIZDYEP-UHFFFAOYSA-N 1 2 295.386 3.111 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cc2cc(C)c(C)cc2o1 ZINC000093100124 345869315 /nfs/dbraw/zinc/86/93/15/345869315.db2.gz QOVZRXMKUBGKEB-UHFFFAOYSA-N 1 2 286.375 3.412 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cc2cc(C)c(C)cc2o1 ZINC000093100124 345869316 /nfs/dbraw/zinc/86/93/16/345869316.db2.gz QOVZRXMKUBGKEB-UHFFFAOYSA-N 1 2 286.375 3.412 20 30 CGEDLO C=C(Br)C[NH2+]C1(c2nccs2)CCCC1 ZINC000126719163 346026561 /nfs/dbraw/zinc/02/65/61/346026561.db2.gz IXKPSSYSBUQATQ-UHFFFAOYSA-N 1 2 287.226 3.411 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000624036854 349951821 /nfs/dbraw/zinc/95/18/21/349951821.db2.gz AJWMSRVBGXSFML-AWEZNQCLSA-N 1 2 288.370 3.225 20 30 CGEDLO C=C(Br)CNc1[nH+]ccc(C)c1Cl ZINC000307047729 346459561 /nfs/dbraw/zinc/45/95/61/346459561.db2.gz BFSZNZXFJLTUQR-UHFFFAOYSA-N 1 2 261.550 3.364 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000593653601 347100348 /nfs/dbraw/zinc/10/03/48/347100348.db2.gz RQOMYTDRQJESPJ-UHFFFAOYSA-N 1 2 293.754 3.422 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000397643262 346583684 /nfs/dbraw/zinc/58/36/84/346583684.db2.gz RLXBBOGHZHCMPK-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000397643262 346583688 /nfs/dbraw/zinc/58/36/88/346583688.db2.gz RLXBBOGHZHCMPK-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO Cc1cccc(C)c1OCC[N@H+](CC#N)C1CCCC1 ZINC000568697313 346664554 /nfs/dbraw/zinc/66/45/54/346664554.db2.gz MXQHIMJOQMLMPK-UHFFFAOYSA-N 1 2 272.392 3.450 20 30 CGEDLO Cc1cccc(C)c1OCC[N@@H+](CC#N)C1CCCC1 ZINC000568697313 346664555 /nfs/dbraw/zinc/66/45/55/346664555.db2.gz MXQHIMJOQMLMPK-UHFFFAOYSA-N 1 2 272.392 3.450 20 30 CGEDLO N#CCCCCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000588256408 346757630 /nfs/dbraw/zinc/75/76/30/346757630.db2.gz KQRQNBWBSASCEQ-UHFFFAOYSA-N 1 2 282.347 3.489 20 30 CGEDLO COc1ccc2[nH+]c(NCC(C)(C)CCC#N)ccc2c1 ZINC000588844720 346770933 /nfs/dbraw/zinc/77/09/33/346770933.db2.gz XIBNWKYWZNMPDE-UHFFFAOYSA-N 1 2 283.375 3.407 20 30 CGEDLO COCC[N@H+](CCC#N)CCc1ccc(C(C)(C)C)cc1 ZINC000589498364 346798922 /nfs/dbraw/zinc/79/89/22/346798922.db2.gz KJFDEXLKDSJLDB-UHFFFAOYSA-N 1 2 288.435 3.389 20 30 CGEDLO COCC[N@@H+](CCC#N)CCc1ccc(C(C)(C)C)cc1 ZINC000589498364 346798925 /nfs/dbraw/zinc/79/89/25/346798925.db2.gz KJFDEXLKDSJLDB-UHFFFAOYSA-N 1 2 288.435 3.389 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000589496915 346799136 /nfs/dbraw/zinc/79/91/36/346799136.db2.gz YCSMAVBTCQTIJB-CQSZACIVSA-N 1 2 285.372 3.057 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000589496915 346799138 /nfs/dbraw/zinc/79/91/38/346799138.db2.gz YCSMAVBTCQTIJB-CQSZACIVSA-N 1 2 285.372 3.057 20 30 CGEDLO Cn1c2ccc(NC(=O)CCCCC#N)cc2[nH+]c1C1CC1 ZINC000593998472 347134235 /nfs/dbraw/zinc/13/42/35/347134235.db2.gz SXMBULOCFCIURG-UHFFFAOYSA-N 1 2 296.374 3.473 20 30 CGEDLO COc1ccc(F)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981448 347248582 /nfs/dbraw/zinc/24/85/82/347248582.db2.gz QDWXYPVNTSMRAC-UHFFFAOYSA-N 1 2 276.355 3.398 20 30 CGEDLO C[N@@H+](CCC#N)CCSc1cccc(Cl)c1 ZINC000595345720 347294657 /nfs/dbraw/zinc/29/46/57/347294657.db2.gz PUHPMYAKHQNXPD-UHFFFAOYSA-N 1 2 254.786 3.278 20 30 CGEDLO C[N@H+](CCC#N)CCSc1cccc(Cl)c1 ZINC000595345720 347294660 /nfs/dbraw/zinc/29/46/60/347294660.db2.gz PUHPMYAKHQNXPD-UHFFFAOYSA-N 1 2 254.786 3.278 20 30 CGEDLO Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000595416784 347300326 /nfs/dbraw/zinc/30/03/26/347300326.db2.gz ZCLFIHJHFXXZAD-SNVBAGLBSA-N 1 2 255.321 3.014 20 30 CGEDLO CC[N@H+](CCCOc1c(C)cccc1C)[C@H](C)C#N ZINC000595813145 347358184 /nfs/dbraw/zinc/35/81/84/347358184.db2.gz LEBLWSBADPBHJC-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1c(C)cccc1C)[C@H](C)C#N ZINC000595813145 347358185 /nfs/dbraw/zinc/35/81/85/347358185.db2.gz LEBLWSBADPBHJC-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595609731 347326162 /nfs/dbraw/zinc/32/61/62/347326162.db2.gz OHRIMVNIGMHJRA-OAHLLOKOSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595609731 347326164 /nfs/dbraw/zinc/32/61/64/347326164.db2.gz OHRIMVNIGMHJRA-OAHLLOKOSA-N 1 2 299.418 3.374 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595617361 347328759 /nfs/dbraw/zinc/32/87/59/347328759.db2.gz ZAWRDALHRQTBRA-STQMWFEESA-N 1 2 293.436 3.366 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595617361 347328761 /nfs/dbraw/zinc/32/87/61/347328761.db2.gz ZAWRDALHRQTBRA-STQMWFEESA-N 1 2 293.436 3.366 20 30 CGEDLO Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)oc1C ZINC000595637338 347331220 /nfs/dbraw/zinc/33/12/20/347331220.db2.gz XTUBWKDUQBUDCQ-UHFFFAOYSA-N 1 2 269.348 3.188 20 30 CGEDLO COc1ccc([C@H](C)C[N@H+]([C@@H](C)C#N)C2CC2)cc1 ZINC000595710105 347344516 /nfs/dbraw/zinc/34/45/16/347344516.db2.gz LIWZIAMHURHCHZ-OLZOCXBDSA-N 1 2 258.365 3.175 20 30 CGEDLO COc1ccc([C@H](C)C[N@@H+]([C@@H](C)C#N)C2CC2)cc1 ZINC000595710105 347344518 /nfs/dbraw/zinc/34/45/18/347344518.db2.gz LIWZIAMHURHCHZ-OLZOCXBDSA-N 1 2 258.365 3.175 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000595835091 347363282 /nfs/dbraw/zinc/36/32/82/347363282.db2.gz NLCFUEDEGUYNNO-ZDUSSCGKSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000595835091 347363286 /nfs/dbraw/zinc/36/32/86/347363286.db2.gz NLCFUEDEGUYNNO-ZDUSSCGKSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839016 347364808 /nfs/dbraw/zinc/36/48/08/347364808.db2.gz GEGNAUUHIVXKON-YGRLFVJLSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839016 347364810 /nfs/dbraw/zinc/36/48/10/347364810.db2.gz GEGNAUUHIVXKON-YGRLFVJLSA-N 1 2 250.292 3.261 20 30 CGEDLO CC1(C)C[C@]1([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000595907564 347370620 /nfs/dbraw/zinc/37/06/20/347370620.db2.gz ATYVXXFWZNPXQE-INIZCTEOSA-N 1 2 283.400 3.430 20 30 CGEDLO N#CC[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000596330331 347419850 /nfs/dbraw/zinc/41/98/50/347419850.db2.gz LVNGBLHJNPFXQN-SNVBAGLBSA-N 1 2 269.270 3.230 20 30 CGEDLO CC[N@@H+](Cc1cncc(Br)c1C)C[C@@H](C)C#N ZINC000596992410 347525876 /nfs/dbraw/zinc/52/58/76/347525876.db2.gz RWTLWZJLZVGOFI-JTQLQIEISA-N 1 2 296.212 3.134 20 30 CGEDLO CC[N@H+](Cc1cncc(Br)c1C)C[C@@H](C)C#N ZINC000596992410 347525879 /nfs/dbraw/zinc/52/58/79/347525879.db2.gz RWTLWZJLZVGOFI-JTQLQIEISA-N 1 2 296.212 3.134 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnn1CC1CC1 ZINC000596994918 347525974 /nfs/dbraw/zinc/52/59/74/347525974.db2.gz DVGPLUWFAJMURW-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1CC1CC1 ZINC000596994918 347525976 /nfs/dbraw/zinc/52/59/76/347525976.db2.gz DVGPLUWFAJMURW-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO Cc1cn2cc(NC(=O)CC3(C#N)CCCCC3)ccc2[nH+]1 ZINC000597059836 347532542 /nfs/dbraw/zinc/53/25/42/347532542.db2.gz WDRDDGLWCFPGQB-UHFFFAOYSA-N 1 2 296.374 3.445 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O[C@H](C)COC)cc1 ZINC000597130013 347538341 /nfs/dbraw/zinc/53/83/41/347538341.db2.gz OSVYFAKBISETRF-OAHLLOKOSA-N 1 2 288.391 3.002 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(O[C@H](C)COC)cc1 ZINC000597130013 347538344 /nfs/dbraw/zinc/53/83/44/347538344.db2.gz OSVYFAKBISETRF-OAHLLOKOSA-N 1 2 288.391 3.002 20 30 CGEDLO CC(C)CCn1cccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597228922 347557450 /nfs/dbraw/zinc/55/74/50/347557450.db2.gz IQEYESOOBSAWEU-INIZCTEOSA-N 1 2 259.397 3.270 20 30 CGEDLO CC(C)CCn1cccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597228922 347557453 /nfs/dbraw/zinc/55/74/53/347557453.db2.gz IQEYESOOBSAWEU-INIZCTEOSA-N 1 2 259.397 3.270 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)nc1 ZINC000599698725 347767533 /nfs/dbraw/zinc/76/75/33/347767533.db2.gz KJFQZMYJEHARTE-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO CCOC(=O)C(CC)(CC)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599426826 347743945 /nfs/dbraw/zinc/74/39/45/347743945.db2.gz RQAWCCYLLVUYCM-UHFFFAOYSA-N 1 2 288.391 3.078 20 30 CGEDLO COc1ccc(-c2ccc(N(C)C(C)C)[nH+]c2)cc1C#N ZINC000600788441 347835962 /nfs/dbraw/zinc/83/59/62/347835962.db2.gz LKIRVCVXZNPGAG-UHFFFAOYSA-N 1 2 281.359 3.473 20 30 CGEDLO Cc1ccc(C#N)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602087594 347935868 /nfs/dbraw/zinc/93/58/68/347935868.db2.gz YKDTURCISAWUPA-MRXNPFEDSA-N 1 2 296.374 3.289 20 30 CGEDLO Cc1cc(C#N)cc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000602156805 347938861 /nfs/dbraw/zinc/93/88/61/347938861.db2.gz BPEHTQWFLQRMEW-INIZCTEOSA-N 1 2 296.374 3.289 20 30 CGEDLO N#Cc1cccc(C[N@@H+](Cc2ccccc2F)C2CC2)n1 ZINC000602434828 347957198 /nfs/dbraw/zinc/95/71/98/347957198.db2.gz FODZPHASVPFKMM-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cccc(C[N@H+](Cc2ccccc2F)C2CC2)n1 ZINC000602434828 347957200 /nfs/dbraw/zinc/95/72/00/347957200.db2.gz FODZPHASVPFKMM-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602439930 347958395 /nfs/dbraw/zinc/95/83/95/347958395.db2.gz RKWJTAHBXGWEMX-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602439930 347958399 /nfs/dbraw/zinc/95/83/99/347958399.db2.gz RKWJTAHBXGWEMX-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO CC[N@@H+](Cc1cc2ccccc2n1C)C[C@@H](C)C#N ZINC000602446691 347959500 /nfs/dbraw/zinc/95/95/00/347959500.db2.gz HTNQITZESLMPPP-ZDUSSCGKSA-N 1 2 255.365 3.160 20 30 CGEDLO CC[N@H+](Cc1cc2ccccc2n1C)C[C@@H](C)C#N ZINC000602446691 347959502 /nfs/dbraw/zinc/95/95/02/347959502.db2.gz HTNQITZESLMPPP-ZDUSSCGKSA-N 1 2 255.365 3.160 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccns1 ZINC000602464239 347962008 /nfs/dbraw/zinc/96/20/08/347962008.db2.gz DKCQEVQLPIHFTH-UHFFFAOYSA-N 1 2 251.399 3.295 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccns1 ZINC000602464239 347962009 /nfs/dbraw/zinc/96/20/09/347962009.db2.gz DKCQEVQLPIHFTH-UHFFFAOYSA-N 1 2 251.399 3.295 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(Br)c1Cl ZINC000602608227 347993078 /nfs/dbraw/zinc/99/30/78/347993078.db2.gz RMIRHDCZJRCQHV-QMMMGPOBSA-N 1 2 287.588 3.352 20 30 CGEDLO Cc1cc(C)c(CN(CC#N)C2CCCC2)c(C)[nH+]1 ZINC000602782720 348028396 /nfs/dbraw/zinc/02/83/96/348028396.db2.gz WBTJRMQZQNVKTI-UHFFFAOYSA-N 1 2 257.381 3.275 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000602793681 348030214 /nfs/dbraw/zinc/03/02/14/348030214.db2.gz ZEOSPUYBEIMIFX-UHFFFAOYSA-N 1 2 283.350 3.359 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000602793681 348030217 /nfs/dbraw/zinc/03/02/17/348030217.db2.gz ZEOSPUYBEIMIFX-UHFFFAOYSA-N 1 2 283.350 3.359 20 30 CGEDLO COc1ncc(C[N@H+](C[C@H](C)C#N)C2CC2)c2ccccc21 ZINC000602797482 348030656 /nfs/dbraw/zinc/03/06/56/348030656.db2.gz CEIAOUPQOWYZQO-CYBMUJFWSA-N 1 2 295.386 3.367 20 30 CGEDLO COc1ncc(C[N@@H+](C[C@H](C)C#N)C2CC2)c2ccccc21 ZINC000602797482 348030657 /nfs/dbraw/zinc/03/06/57/348030657.db2.gz CEIAOUPQOWYZQO-CYBMUJFWSA-N 1 2 295.386 3.367 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602864562 348038166 /nfs/dbraw/zinc/03/81/66/348038166.db2.gz RZNAAYKPNLDPJS-UONOGXRCSA-N 1 2 287.407 3.337 20 30 CGEDLO Cc1cc(Br)c2c(c1)CC[N@@H+](CCCC#N)C2 ZINC000602927376 348046028 /nfs/dbraw/zinc/04/60/28/348046028.db2.gz FBRDBGRYTMWLOE-UHFFFAOYSA-N 1 2 293.208 3.419 20 30 CGEDLO Cc1cc(Br)c2c(c1)CC[N@H+](CCCC#N)C2 ZINC000602927376 348046030 /nfs/dbraw/zinc/04/60/30/348046030.db2.gz FBRDBGRYTMWLOE-UHFFFAOYSA-N 1 2 293.208 3.419 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602982423 348052240 /nfs/dbraw/zinc/05/22/40/348052240.db2.gz SBXIHPWJFBLNNE-GOEBONIOSA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602982423 348052242 /nfs/dbraw/zinc/05/22/42/348052242.db2.gz SBXIHPWJFBLNNE-GOEBONIOSA-N 1 2 257.381 3.131 20 30 CGEDLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000610344012 348377148 /nfs/dbraw/zinc/37/71/48/348377148.db2.gz YJKDISRCIHQKQG-VXGBXAGGSA-N 1 2 284.363 3.476 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(C#N)c1 ZINC000611387175 348443631 /nfs/dbraw/zinc/44/36/31/348443631.db2.gz GEGQLSWOWPEOGZ-NSHDSACASA-N 1 2 294.314 3.052 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1c[nH+]c2ccccn12 ZINC000611530321 348458730 /nfs/dbraw/zinc/45/87/30/348458730.db2.gz BCBGWUAOQURMOU-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1nc(N[C@H](C)c2cccc(C#N)c2)c2c([nH+]1)CCCC2 ZINC000611705772 348469023 /nfs/dbraw/zinc/46/90/23/348469023.db2.gz HFUIPVDWRUKEAC-GFCCVEGCSA-N 1 2 292.386 3.131 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000612158646 348497663 /nfs/dbraw/zinc/49/76/63/348497663.db2.gz NQSCQKRHXMDDTK-QGZVFWFLSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000612158646 348497664 /nfs/dbraw/zinc/49/76/64/348497664.db2.gz NQSCQKRHXMDDTK-QGZVFWFLSA-N 1 2 283.350 3.500 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166272 348499233 /nfs/dbraw/zinc/49/92/33/348499233.db2.gz RQNCVBAUVMOUST-QGZVFWFLSA-N 1 2 280.375 3.064 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166272 348499235 /nfs/dbraw/zinc/49/92/35/348499235.db2.gz RQNCVBAUVMOUST-QGZVFWFLSA-N 1 2 280.375 3.064 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000612406489 348517384 /nfs/dbraw/zinc/51/73/84/348517384.db2.gz NNHUPEBUFOZPMK-KRWDZBQOSA-N 1 2 298.365 3.137 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000612406489 348517387 /nfs/dbraw/zinc/51/73/87/348517387.db2.gz NNHUPEBUFOZPMK-KRWDZBQOSA-N 1 2 298.365 3.137 20 30 CGEDLO Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000612406949 348517605 /nfs/dbraw/zinc/51/76/05/348517605.db2.gz YAXVGPRUATVDAV-SFHVURJKSA-N 1 2 294.402 3.213 20 30 CGEDLO Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000612406949 348517606 /nfs/dbraw/zinc/51/76/06/348517606.db2.gz YAXVGPRUATVDAV-SFHVURJKSA-N 1 2 294.402 3.213 20 30 CGEDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614182634 348656029 /nfs/dbraw/zinc/65/60/29/348656029.db2.gz VMIVDSHNBASDCZ-UHFFFAOYSA-N 1 2 294.402 3.009 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614479961 348679634 /nfs/dbraw/zinc/67/96/34/348679634.db2.gz TWARZAIVOLRBOL-AWEZNQCLSA-N 1 2 295.386 3.272 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614479961 348679637 /nfs/dbraw/zinc/67/96/37/348679637.db2.gz TWARZAIVOLRBOL-AWEZNQCLSA-N 1 2 295.386 3.272 20 30 CGEDLO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@](F)(C#N)C1 ZINC000615528657 348747606 /nfs/dbraw/zinc/74/76/06/348747606.db2.gz YLNZPILTVPJUIX-MRXNPFEDSA-N 1 2 269.323 3.294 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014045 349193718 /nfs/dbraw/zinc/19/37/18/349193718.db2.gz CQDBYWOWWQVAPI-HNNXBMFYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C[C@H]([NH2+]CC(C)(C)Cc1cccc(Cl)c1)C(=O)OC ZINC000619702457 349276577 /nfs/dbraw/zinc/27/65/77/349276577.db2.gz MZLQNNYECXMAEP-AWEZNQCLSA-N 1 2 295.810 3.226 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000620606709 349392337 /nfs/dbraw/zinc/39/23/37/349392337.db2.gz ZCKDCLMJEYLALV-ZBFHGGJFSA-N 1 2 297.402 3.347 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Cn2c(CC)[nH+]c3ccccc32)C1 ZINC000628484056 350552845 /nfs/dbraw/zinc/55/28/45/350552845.db2.gz CVRQHHGLAWALEB-CQSZACIVSA-N 1 2 297.402 3.023 20 30 CGEDLO FC(F)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000634756951 351584282 /nfs/dbraw/zinc/58/42/82/351584282.db2.gz ICUMPCKKLZRXOG-AWEZNQCLSA-N 1 2 299.748 3.048 20 30 CGEDLO FC(F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000634756951 351584285 /nfs/dbraw/zinc/58/42/85/351584285.db2.gz ICUMPCKKLZRXOG-AWEZNQCLSA-N 1 2 299.748 3.048 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1(C)C ZINC000635862799 351698325 /nfs/dbraw/zinc/69/83/25/351698325.db2.gz QZEWUFFZASJZQV-UMVBOHGHSA-N 1 2 287.407 3.107 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1(C)C ZINC000635862799 351698330 /nfs/dbraw/zinc/69/83/30/351698330.db2.gz QZEWUFFZASJZQV-UMVBOHGHSA-N 1 2 287.407 3.107 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635866971 351698905 /nfs/dbraw/zinc/69/89/05/351698905.db2.gz MAVCEFUSKHXQKL-CABCVRRESA-N 1 2 275.396 3.037 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635875108 351699160 /nfs/dbraw/zinc/69/91/60/351699160.db2.gz KSYNSFAFMRZMCR-UHFFFAOYSA-N 1 2 297.402 3.120 20 30 CGEDLO Cc1nc(NCc2cccc(C#N)c2)c2c([nH+]1)CCCC2 ZINC000272854073 191945838 /nfs/dbraw/zinc/94/58/38/191945838.db2.gz KQSSNZKRQPIEBS-UHFFFAOYSA-N 1 2 278.359 3.148 20 30 CGEDLO Cc1ccc2c(c1)CC[C@H]2Nc1cc(C)[nH+]cc1C#N ZINC000425215370 236220540 /nfs/dbraw/zinc/22/05/40/236220540.db2.gz NBIDBSPKJDHZQQ-MRXNPFEDSA-N 1 2 263.344 3.091 20 30 CGEDLO Cc1cc(NCc2ccccc2OC(C)C)c(C#N)c[nH+]1 ZINC000425204508 236220599 /nfs/dbraw/zinc/22/05/99/236220599.db2.gz ACMJNLACLFNYPG-UHFFFAOYSA-N 1 2 281.359 3.083 20 30 CGEDLO C=CCCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177756113 189067226 /nfs/dbraw/zinc/06/72/26/189067226.db2.gz ZDVKNKMMXSYMIP-UHFFFAOYSA-N 1 2 299.374 3.257 20 30 CGEDLO Cc1cc(Nc2ncccc2C#N)ccc1[NH+](C)C ZINC000301528308 201050835 /nfs/dbraw/zinc/05/08/35/201050835.db2.gz JWMLGJCLYWJWDY-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO Cc1cc(N2CC[C@H](CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335588787 212302084 /nfs/dbraw/zinc/30/20/84/212302084.db2.gz GZIOJOWTDUNSFV-SNVBAGLBSA-N 1 2 269.270 3.040 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(-c2ccccc2)n1 ZINC000053398644 369483530 /nfs/dbraw/zinc/48/35/30/369483530.db2.gz LURAIYWKUNBMGB-UHFFFAOYSA-N 1 2 257.337 3.135 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(-c2ccccc2)n1 ZINC000053398644 369483533 /nfs/dbraw/zinc/48/35/33/369483533.db2.gz LURAIYWKUNBMGB-UHFFFAOYSA-N 1 2 257.337 3.135 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C)c(Br)c1 ZINC000127633198 370954088 /nfs/dbraw/zinc/95/40/88/370954088.db2.gz HZZRBKHFNVUIRU-UHFFFAOYSA-N 1 2 281.197 3.493 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C)c(Br)c1 ZINC000127633198 370954100 /nfs/dbraw/zinc/95/41/00/370954100.db2.gz HZZRBKHFNVUIRU-UHFFFAOYSA-N 1 2 281.197 3.493 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000127618701 370954148 /nfs/dbraw/zinc/95/41/48/370954148.db2.gz NNKVNFRZQBKHPA-UHFFFAOYSA-N 1 2 258.365 3.136 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc2c1OC(C)(C)C2 ZINC000127618701 370954155 /nfs/dbraw/zinc/95/41/55/370954155.db2.gz NNKVNFRZQBKHPA-UHFFFAOYSA-N 1 2 258.365 3.136 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000127656859 370954587 /nfs/dbraw/zinc/95/45/87/370954587.db2.gz KODSYJMWCRYWNW-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCc1cccnc1 ZINC000127656859 370954591 /nfs/dbraw/zinc/95/45/91/370954591.db2.gz KODSYJMWCRYWNW-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000054180786 369497719 /nfs/dbraw/zinc/49/77/19/369497719.db2.gz HKYBAAJUTNPKSQ-JTQLQIEISA-N 1 2 275.352 3.198 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000072577111 369825830 /nfs/dbraw/zinc/82/58/30/369825830.db2.gz QXFREVVLQXWJPS-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000072577111 369825836 /nfs/dbraw/zinc/82/58/36/369825836.db2.gz QXFREVVLQXWJPS-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C=CCOc1ccccc1C(=O)Nc1cc[nH+]cc1C ZINC000107292813 370354899 /nfs/dbraw/zinc/35/48/99/370354899.db2.gz PQETUECUONIKQT-UHFFFAOYSA-N 1 2 268.316 3.207 20 30 CGEDLO Cc1csc(C(C)(C)[NH2+]Cc2ccccc2C#N)n1 ZINC000118849438 370629064 /nfs/dbraw/zinc/62/90/64/370629064.db2.gz CEWWCTHUXFSCLW-UHFFFAOYSA-N 1 2 271.389 3.348 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131327016 371099888 /nfs/dbraw/zinc/09/98/88/371099888.db2.gz VZGZJNXZELDURK-LBPRGKRZSA-N 1 2 255.745 3.315 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131327016 371099893 /nfs/dbraw/zinc/09/98/93/371099893.db2.gz VZGZJNXZELDURK-LBPRGKRZSA-N 1 2 255.745 3.315 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCCCC(C)(C)C#N)ccc1F ZINC000135490883 371431698 /nfs/dbraw/zinc/43/16/98/371431698.db2.gz OOUVCIBZSIBRJP-UHFFFAOYSA-N 1 2 277.343 3.101 20 30 CGEDLO C=CCCCCCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000287024636 371591833 /nfs/dbraw/zinc/59/18/33/371591833.db2.gz LPRKSEMTNCWNSO-UHFFFAOYSA-N 1 2 285.391 3.130 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000158037077 372047541 /nfs/dbraw/zinc/04/75/41/372047541.db2.gz HUIDVMPZCZEWIL-HNNXBMFYSA-N 1 2 297.320 3.492 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000158037077 372047549 /nfs/dbraw/zinc/04/75/49/372047549.db2.gz HUIDVMPZCZEWIL-HNNXBMFYSA-N 1 2 297.320 3.492 20 30 CGEDLO N#Cc1c(C[N@@H+]2CCCc3occc3C2)cn2ccccc12 ZINC000344244689 217116239 /nfs/dbraw/zinc/11/62/39/217116239.db2.gz GDNOROMEBIXITF-UHFFFAOYSA-N 1 2 291.354 3.352 20 30 CGEDLO N#Cc1c(C[N@H+]2CCCc3occc3C2)cn2ccccc12 ZINC000344244689 217116240 /nfs/dbraw/zinc/11/62/40/217116240.db2.gz GDNOROMEBIXITF-UHFFFAOYSA-N 1 2 291.354 3.352 20 30 CGEDLO C=C[C@H](C)Nc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000432328470 372561006 /nfs/dbraw/zinc/56/10/06/372561006.db2.gz WRSZKPMWEXZERF-LBPRGKRZSA-N 1 2 254.337 3.231 20 30 CGEDLO CCc1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000433029637 372578306 /nfs/dbraw/zinc/57/83/06/372578306.db2.gz SZWDYVNNTYCQNI-AWEZNQCLSA-N 1 2 284.363 3.157 20 30 CGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(C)C#N ZINC000433309995 372588211 /nfs/dbraw/zinc/58/82/11/372588211.db2.gz GBKVNLMZFKEISH-NSHDSACASA-N 1 2 261.325 3.137 20 30 CGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(C)C#N ZINC000433309995 372588216 /nfs/dbraw/zinc/58/82/16/372588216.db2.gz GBKVNLMZFKEISH-NSHDSACASA-N 1 2 261.325 3.137 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OC ZINC000438299424 372922142 /nfs/dbraw/zinc/92/21/42/372922142.db2.gz LZYZRROSFJQRNR-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296317339 373087730 /nfs/dbraw/zinc/08/77/30/373087730.db2.gz ONIUTHIHZMNHTQ-LBPRGKRZSA-N 1 2 260.164 3.058 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296317339 373087738 /nfs/dbraw/zinc/08/77/38/373087738.db2.gz ONIUTHIHZMNHTQ-LBPRGKRZSA-N 1 2 260.164 3.058 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000447046310 373396636 /nfs/dbraw/zinc/39/66/36/373396636.db2.gz ZCWWDWPOJYYJNL-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000447046310 373396641 /nfs/dbraw/zinc/39/66/41/373396641.db2.gz ZCWWDWPOJYYJNL-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc(C)s1)C(=O)OCC ZINC000449658515 373837967 /nfs/dbraw/zinc/83/79/67/373837967.db2.gz SXVSLFNWHWJTHY-ZDUSSCGKSA-N 1 2 267.394 3.044 20 30 CGEDLO C=CCC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1 ZINC000449822888 373936686 /nfs/dbraw/zinc/93/66/86/373936686.db2.gz XYZGWMOQIRFCJZ-UHFFFAOYSA-N 1 2 287.407 3.183 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCCOCC2)c(O)c1 ZINC000182699270 374316767 /nfs/dbraw/zinc/31/67/67/374316767.db2.gz CMLGCABJRKHRPY-RFRKOGIWSA-N 1 2 277.364 3.169 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000454812787 374485021 /nfs/dbraw/zinc/48/50/21/374485021.db2.gz PZXOPXJATQKZIB-STQMWFEESA-N 1 2 278.400 3.008 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000330771234 374489740 /nfs/dbraw/zinc/48/97/40/374489740.db2.gz BWFYEHXCKJZTDF-UHFFFAOYSA-N 1 2 299.418 3.374 20 30 CGEDLO Cc1c(Cl)cnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C#N ZINC000333667073 374614265 /nfs/dbraw/zinc/61/42/65/374614265.db2.gz IBSOPRUHYPIBDZ-PELKAZGASA-N 1 2 287.754 3.230 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000187560503 375040904 /nfs/dbraw/zinc/04/09/04/375040904.db2.gz YZNVSDNNLFSFBK-AWEZNQCLSA-N 1 2 290.750 3.018 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H](C2CC2)O1 ZINC000470920998 375001177 /nfs/dbraw/zinc/00/11/77/375001177.db2.gz AOKYCUNMNZSHFB-SUMWQHHRSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H](C2CC2)O1 ZINC000470920998 375001185 /nfs/dbraw/zinc/00/11/85/375001185.db2.gz AOKYCUNMNZSHFB-SUMWQHHRSA-N 1 2 289.806 3.191 20 30 CGEDLO N#CC1(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000335154785 375182406 /nfs/dbraw/zinc/18/24/06/375182406.db2.gz FWJAZWLCADWPER-HUUCEWRRSA-N 1 2 290.794 3.142 20 30 CGEDLO N#CC1(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000335154785 375182411 /nfs/dbraw/zinc/18/24/11/375182411.db2.gz FWJAZWLCADWPER-HUUCEWRRSA-N 1 2 290.794 3.142 20 30 CGEDLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000335174880 375200637 /nfs/dbraw/zinc/20/06/37/375200637.db2.gz JGFCPLSEQMKOFF-HNNXBMFYSA-N 1 2 298.365 3.014 20 30 CGEDLO N#CCCCCNc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000488057660 375301344 /nfs/dbraw/zinc/30/13/44/375301344.db2.gz NNKHWUABHAOKOO-UHFFFAOYSA-N 1 2 293.374 3.277 20 30 CGEDLO Cc1cc(N)nc(S[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000189809528 375449718 /nfs/dbraw/zinc/44/97/18/375449718.db2.gz FIULKNRMAWSCBG-JTQLQIEISA-N 1 2 270.361 3.092 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000335843659 375477879 /nfs/dbraw/zinc/47/78/79/375477879.db2.gz MSQJIRXMXOYWLZ-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000335843659 375477883 /nfs/dbraw/zinc/47/78/83/375477883.db2.gz MSQJIRXMXOYWLZ-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000500801605 375638012 /nfs/dbraw/zinc/63/80/12/375638012.db2.gz BSZOUPLUJYPVRM-CVEARBPZSA-N 1 2 275.392 3.023 20 30 CGEDLO CC(C)CC[N@@H+](CC#Cc1ccccc1)CCC#N ZINC000192054661 375693964 /nfs/dbraw/zinc/69/39/64/375693964.db2.gz IIKULJOQOLOBKK-UHFFFAOYSA-N 1 2 254.377 3.300 20 30 CGEDLO CC(C)CC[N@H+](CC#Cc1ccccc1)CCC#N ZINC000192054661 375693969 /nfs/dbraw/zinc/69/39/69/375693969.db2.gz IIKULJOQOLOBKK-UHFFFAOYSA-N 1 2 254.377 3.300 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000191889331 375672678 /nfs/dbraw/zinc/67/26/78/375672678.db2.gz BRZHORWCOAFPFY-UHFFFAOYSA-N 1 2 280.327 3.078 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000191889331 375672681 /nfs/dbraw/zinc/67/26/81/375672681.db2.gz BRZHORWCOAFPFY-UHFFFAOYSA-N 1 2 280.327 3.078 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)ccc1Cl)C[C@H](C)C#N ZINC000191976443 375686085 /nfs/dbraw/zinc/68/60/85/375686085.db2.gz HEMYNSSTTHBWJW-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1cc(OC)ccc1Cl)C[C@H](C)C#N ZINC000191976443 375686090 /nfs/dbraw/zinc/68/60/90/375686090.db2.gz HEMYNSSTTHBWJW-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCc2cccc(C#N)c2)c(C)[nH+]1 ZINC000336145147 375722793 /nfs/dbraw/zinc/72/27/93/375722793.db2.gz RRVZOPGUZUTNPO-UHFFFAOYSA-N 1 2 294.358 3.200 20 30 CGEDLO CC[C@H](CO)[N@H+](CC#N)C1CCC(C(C)(C)C)CC1 ZINC000528568106 375904785 /nfs/dbraw/zinc/90/47/85/375904785.db2.gz JJAJFYIRXPAGSC-SHARSMKWSA-N 1 2 266.429 3.188 20 30 CGEDLO CC[C@H](CO)[N@@H+](CC#N)C1CCC(C(C)(C)C)CC1 ZINC000528568106 375904794 /nfs/dbraw/zinc/90/47/94/375904794.db2.gz JJAJFYIRXPAGSC-SHARSMKWSA-N 1 2 266.429 3.188 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000529532254 375928662 /nfs/dbraw/zinc/92/86/62/375928662.db2.gz XOTYNWYGCLNINU-JTQLQIEISA-N 1 2 286.297 3.448 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC000529532254 375928670 /nfs/dbraw/zinc/92/86/70/375928670.db2.gz XOTYNWYGCLNINU-JTQLQIEISA-N 1 2 286.297 3.448 20 30 CGEDLO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1nccs1 ZINC000230627670 376523573 /nfs/dbraw/zinc/52/35/73/376523573.db2.gz ZGQCDQCTNZOAET-LBPRGKRZSA-N 1 2 275.352 3.395 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000339754153 376836007 /nfs/dbraw/zinc/83/60/07/376836007.db2.gz MXOOPJHGPVUEIG-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000339754153 376836012 /nfs/dbraw/zinc/83/60/12/376836012.db2.gz MXOOPJHGPVUEIG-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339769389 376836705 /nfs/dbraw/zinc/83/67/05/376836705.db2.gz MCYCHMIWISVFFR-SFHVURJKSA-N 1 2 287.378 3.068 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000339769389 376836716 /nfs/dbraw/zinc/83/67/16/376836716.db2.gz MCYCHMIWISVFFR-SFHVURJKSA-N 1 2 287.378 3.068 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c(F)c1 ZINC000339773914 376840655 /nfs/dbraw/zinc/84/06/55/376840655.db2.gz YMHGAHWZDLCNBY-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c(F)c1 ZINC000339773914 376840659 /nfs/dbraw/zinc/84/06/59/376840659.db2.gz YMHGAHWZDLCNBY-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO FC[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000556112975 376859907 /nfs/dbraw/zinc/85/99/07/376859907.db2.gz JDKXDAWJKNVKPT-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO FC[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000556112975 376859915 /nfs/dbraw/zinc/85/99/15/376859915.db2.gz JDKXDAWJKNVKPT-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000247389953 377201085 /nfs/dbraw/zinc/20/10/85/377201085.db2.gz VRYVFYOKYHJSPU-IJEWVQPXSA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000247389953 377201093 /nfs/dbraw/zinc/20/10/93/377201093.db2.gz VRYVFYOKYHJSPU-IJEWVQPXSA-N 1 2 253.349 3.123 20 30 CGEDLO C[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)CC(C)(C)C#N ZINC000563931229 377474105 /nfs/dbraw/zinc/47/41/05/377474105.db2.gz VJTXFXRDXBCNRO-UHFFFAOYSA-N 1 2 288.435 3.253 20 30 CGEDLO C[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)CC(C)(C)C#N ZINC000563931229 377474118 /nfs/dbraw/zinc/47/41/18/377474118.db2.gz VJTXFXRDXBCNRO-UHFFFAOYSA-N 1 2 288.435 3.253 20 30 CGEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000568289823 377517568 /nfs/dbraw/zinc/51/75/68/377517568.db2.gz QNMKEBYESPDMHV-LBPRGKRZSA-N 1 2 296.374 3.028 20 30 CGEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000568289823 377517577 /nfs/dbraw/zinc/51/75/77/377517577.db2.gz QNMKEBYESPDMHV-LBPRGKRZSA-N 1 2 296.374 3.028 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)nc1 ZINC000516580964 249237386 /nfs/dbraw/zinc/23/73/86/249237386.db2.gz XUGCTKKYLCSPNL-MRXNPFEDSA-N 1 2 279.343 3.273 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)nc1 ZINC000516580964 249237388 /nfs/dbraw/zinc/23/73/88/249237388.db2.gz XUGCTKKYLCSPNL-MRXNPFEDSA-N 1 2 279.343 3.273 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1cc(C#N)ncn1 ZINC000574112688 377621612 /nfs/dbraw/zinc/62/16/12/377621612.db2.gz WOYMTHFZICATSG-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000264508266 377988161 /nfs/dbraw/zinc/98/81/61/377988161.db2.gz XAMNUCUVAWFCLV-UHFFFAOYSA-N 1 2 272.392 3.202 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000270568412 378370009 /nfs/dbraw/zinc/37/00/09/378370009.db2.gz ALWYYDHITAJFRM-XKJAGQOOSA-N 1 2 291.391 3.413 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000271171426 378470115 /nfs/dbraw/zinc/47/01/15/378470115.db2.gz AGYOGAYWYZSDCQ-XWDBZTJWSA-N 1 2 277.364 3.167 20 30 CGEDLO CCCCCCCCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271723721 378503008 /nfs/dbraw/zinc/50/30/08/378503008.db2.gz QTHYWDOJWAJZLO-UHFFFAOYSA-N 1 2 294.443 3.312 20 30 CGEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000346346627 378552735 /nfs/dbraw/zinc/55/27/35/378552735.db2.gz LZNIWPNZYNQHIR-UHFFFAOYSA-N 1 2 297.358 3.000 20 30 CGEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000346346627 378552741 /nfs/dbraw/zinc/55/27/41/378552741.db2.gz LZNIWPNZYNQHIR-UHFFFAOYSA-N 1 2 297.358 3.000 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(C)(C)C)no1 ZINC000272311575 378609959 /nfs/dbraw/zinc/60/99/59/378609959.db2.gz ROPRANUNTCTVEQ-UHFFFAOYSA-N 1 2 289.379 3.191 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(C)(C)C)no1 ZINC000272311575 378609963 /nfs/dbraw/zinc/60/99/63/378609963.db2.gz ROPRANUNTCTVEQ-UHFFFAOYSA-N 1 2 289.379 3.191 20 30 CGEDLO N#Cc1cnccc1/C=C\c1[nH+]ccn1Cc1ccccc1 ZINC000349116268 379161069 /nfs/dbraw/zinc/16/10/69/379161069.db2.gz ZBFYAMIXAYIRNG-SREVYHEPSA-N 1 2 286.338 3.368 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350022432 379481129 /nfs/dbraw/zinc/48/11/29/379481129.db2.gz XSBUAVMFHMTKEG-UFFNRZRYSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350022432 379481134 /nfs/dbraw/zinc/48/11/34/379481134.db2.gz XSBUAVMFHMTKEG-UFFNRZRYSA-N 1 2 250.292 3.069 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(Cl)c2)n1 ZINC000279708840 379494352 /nfs/dbraw/zinc/49/43/52/379494352.db2.gz KCJSVEWLZLILLW-UHFFFAOYSA-N 1 2 287.794 3.192 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(Cl)c2)n1 ZINC000279708840 379494362 /nfs/dbraw/zinc/49/43/62/379494362.db2.gz KCJSVEWLZLILLW-UHFFFAOYSA-N 1 2 287.794 3.192 20 30 CGEDLO CC(C)C[N@H+](Cc1csnn1)Cc1ccc(C#N)cc1 ZINC000350661685 379577691 /nfs/dbraw/zinc/57/76/91/379577691.db2.gz RWCTVDWXKFYIRF-UHFFFAOYSA-N 1 2 286.404 3.068 20 30 CGEDLO CC(C)C[N@@H+](Cc1csnn1)Cc1ccc(C#N)cc1 ZINC000350661685 379577698 /nfs/dbraw/zinc/57/76/98/379577698.db2.gz RWCTVDWXKFYIRF-UHFFFAOYSA-N 1 2 286.404 3.068 20 30 CGEDLO CCC[N@H+](Cc1ncnn1C(C)C)Cc1ccc(C#N)cc1 ZINC000280160509 379625187 /nfs/dbraw/zinc/62/51/87/379625187.db2.gz XVGGVZOIAUBPAM-UHFFFAOYSA-N 1 2 297.406 3.143 20 30 CGEDLO CCC[N@@H+](Cc1ncnn1C(C)C)Cc1ccc(C#N)cc1 ZINC000280160509 379625197 /nfs/dbraw/zinc/62/51/97/379625197.db2.gz XVGGVZOIAUBPAM-UHFFFAOYSA-N 1 2 297.406 3.143 20 30 CGEDLO C[C@H](CCC#N)[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000351408244 379719791 /nfs/dbraw/zinc/71/97/91/379719791.db2.gz HASXLCBWIGOAAT-GFCCVEGCSA-N 1 2 295.789 3.293 20 30 CGEDLO Cc1nocc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000351751118 379741692 /nfs/dbraw/zinc/74/16/92/379741692.db2.gz GIUQFINKYAKRTQ-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nocc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000351751118 379741697 /nfs/dbraw/zinc/74/16/97/379741697.db2.gz GIUQFINKYAKRTQ-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO CN(C)c1ccc(CNc2ccc(Cl)cc2C#N)c[nH+]1 ZINC000352646182 379888758 /nfs/dbraw/zinc/88/87/58/379888758.db2.gz OVVVWEXTUBCCBN-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1F ZINC000404259006 379978942 /nfs/dbraw/zinc/97/89/42/379978942.db2.gz QGUJYZDUKOTASG-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1F ZINC000404259006 379978948 /nfs/dbraw/zinc/97/89/48/379978948.db2.gz QGUJYZDUKOTASG-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000267669925 190346145 /nfs/dbraw/zinc/34/61/45/190346145.db2.gz YUJHGYYDFAZNBB-NSHDSACASA-N 1 2 287.388 3.012 20 30 CGEDLO CSc1cccc(F)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000352862351 380009608 /nfs/dbraw/zinc/00/96/08/380009608.db2.gz NPAXKTUDBQZMIK-UHFFFAOYSA-N 1 2 293.392 3.166 20 30 CGEDLO Cc1occc1CNc1[nH+]cccc1OCCCC#N ZINC000414311510 380213238 /nfs/dbraw/zinc/21/32/38/380213238.db2.gz IQIDXUUTQWTVJK-UHFFFAOYSA-N 1 2 271.320 3.278 20 30 CGEDLO Cc1[nH]ncc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353911789 380230446 /nfs/dbraw/zinc/23/04/46/380230446.db2.gz CQHMSPSNZZUYIG-MRXNPFEDSA-N 1 2 268.364 3.243 20 30 CGEDLO N#CCCC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000353914700 380231875 /nfs/dbraw/zinc/23/18/75/380231875.db2.gz LDRDCJVOOQLJON-CQSZACIVSA-N 1 2 272.377 3.063 20 30 CGEDLO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000354034270 380289813 /nfs/dbraw/zinc/28/98/13/380289813.db2.gz PYBANMGNYZWLAH-LLVKDONJSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1[N+](=O)[O-] ZINC000354034270 380289819 /nfs/dbraw/zinc/28/98/19/380289819.db2.gz PYBANMGNYZWLAH-LLVKDONJSA-N 1 2 273.336 3.027 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419311000 380799658 /nfs/dbraw/zinc/79/96/58/380799658.db2.gz XYBVWLQWXAKQRB-UHFFFAOYSA-N 1 2 288.366 3.231 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H](CC)O1 ZINC000421394806 380942162 /nfs/dbraw/zinc/94/21/62/380942162.db2.gz TXRJXOSSHASECJ-VXGBXAGGSA-N 1 2 264.394 3.009 20 30 CGEDLO COc1cc(CNc2ccc3ccccc3[nH+]2)ccc1C#N ZINC000357608165 381228472 /nfs/dbraw/zinc/22/84/72/381228472.db2.gz LKGHEWUXAYOHAS-UHFFFAOYSA-N 1 2 289.338 3.149 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000358282447 381300445 /nfs/dbraw/zinc/30/04/45/381300445.db2.gz SLMKIJHAWKYJDX-NSHDSACASA-N 1 2 291.424 3.005 20 30 CGEDLO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000334814275 207123879 /nfs/dbraw/zinc/12/38/79/207123879.db2.gz DUDFGPMDMODGIV-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)no1 ZINC000334814275 207123884 /nfs/dbraw/zinc/12/38/84/207123884.db2.gz DUDFGPMDMODGIV-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000359866120 381377511 /nfs/dbraw/zinc/37/75/11/381377511.db2.gz CWLXBSDPYYWTBZ-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1F ZINC000359866120 381377516 /nfs/dbraw/zinc/37/75/16/381377516.db2.gz CWLXBSDPYYWTBZ-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000360217094 381483619 /nfs/dbraw/zinc/48/36/19/381483619.db2.gz ZEYGELMTJKYEQS-UHFFFAOYSA-N 1 2 255.321 3.041 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000361639463 381851866 /nfs/dbraw/zinc/85/18/66/381851866.db2.gz OTYCTRHFHLOPAW-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000361639463 381851873 /nfs/dbraw/zinc/85/18/73/381851873.db2.gz OTYCTRHFHLOPAW-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1cccc(F)c1C#N)C2 ZINC000362275405 381927490 /nfs/dbraw/zinc/92/74/90/381927490.db2.gz CSBUVJUEQQBFAF-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1cccc(F)c1C#N)C2 ZINC000362275405 381927495 /nfs/dbraw/zinc/92/74/95/381927495.db2.gz CSBUVJUEQQBFAF-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C#Cc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1 ZINC000367307861 382343007 /nfs/dbraw/zinc/34/30/07/382343007.db2.gz LZOGHVFOWRGXSZ-HNNXBMFYSA-N 1 2 285.293 3.169 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1[N+](=O)[O-] ZINC000428327546 533455304 /nfs/dbraw/zinc/45/53/04/533455304.db2.gz UGJHAZXUJGLSSZ-LLVKDONJSA-N 1 2 299.305 3.456 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)on1 ZINC000331505413 533605114 /nfs/dbraw/zinc/60/51/14/533605114.db2.gz XAYCKQDSXPZMPU-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)on1 ZINC000331505413 533605123 /nfs/dbraw/zinc/60/51/23/533605123.db2.gz XAYCKQDSXPZMPU-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO CC(C)N(C)c1ccc(CNc2cccc(C#N)c2)c[nH+]1 ZINC000191557137 130254635 /nfs/dbraw/zinc/25/46/35/130254635.db2.gz HIZXHJPOAJLORO-UHFFFAOYSA-N 1 2 280.375 3.410 20 30 CGEDLO CCCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC ZINC000093090949 392234241 /nfs/dbraw/zinc/23/42/41/392234241.db2.gz YIBFOSJJMMGSGM-CYBMUJFWSA-N 1 2 276.380 3.218 20 30 CGEDLO CCCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC ZINC000093090949 392234246 /nfs/dbraw/zinc/23/42/46/392234246.db2.gz YIBFOSJJMMGSGM-CYBMUJFWSA-N 1 2 276.380 3.218 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000093090557 392234614 /nfs/dbraw/zinc/23/46/14/392234614.db2.gz CLNMUCGBHOGNTF-LLVKDONJSA-N 1 2 268.307 3.064 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000093090557 392234617 /nfs/dbraw/zinc/23/46/17/392234617.db2.gz CLNMUCGBHOGNTF-LLVKDONJSA-N 1 2 268.307 3.064 20 30 CGEDLO C=CCOc1ccccc1CNC(=O)Nc1cc[nH+]cc1C ZINC000120949129 392405077 /nfs/dbraw/zinc/40/50/77/392405077.db2.gz LTJWUCJRYGXGJZ-UHFFFAOYSA-N 1 2 297.358 3.277 20 30 CGEDLO C=CCCCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372395267 392605298 /nfs/dbraw/zinc/60/52/98/392605298.db2.gz XFBKDCOORLMTAB-CYBMUJFWSA-N 1 2 289.423 3.111 20 30 CGEDLO C=CCCCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372395267 392605300 /nfs/dbraw/zinc/60/53/00/392605300.db2.gz XFBKDCOORLMTAB-CYBMUJFWSA-N 1 2 289.423 3.111 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)cn1 ZINC000156390030 392546579 /nfs/dbraw/zinc/54/65/79/392546579.db2.gz FBCHOAQFIPQDJP-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)cn1 ZINC000156390030 392546583 /nfs/dbraw/zinc/54/65/83/392546583.db2.gz FBCHOAQFIPQDJP-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000329424480 392680428 /nfs/dbraw/zinc/68/04/28/392680428.db2.gz FNKUBWMXXRWPRK-ZDUSSCGKSA-N 1 2 296.374 3.008 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(C(=O)OC)co1 ZINC000173552821 392627272 /nfs/dbraw/zinc/62/72/72/392627272.db2.gz ZYRHBZBLBMYZPP-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C(=O)OC)co1 ZINC000173552821 392627277 /nfs/dbraw/zinc/62/72/77/392627277.db2.gz ZYRHBZBLBMYZPP-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO N#CCC[N@H+](CCCOc1ccccc1)Cc1ccccn1 ZINC000174837546 392647183 /nfs/dbraw/zinc/64/71/83/392647183.db2.gz SVZSTJOIFMHROD-UHFFFAOYSA-N 1 2 295.386 3.266 20 30 CGEDLO N#CCC[N@@H+](CCCOc1ccccc1)Cc1ccccn1 ZINC000174837546 392647191 /nfs/dbraw/zinc/64/71/91/392647191.db2.gz SVZSTJOIFMHROD-UHFFFAOYSA-N 1 2 295.386 3.266 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000186249507 392779731 /nfs/dbraw/zinc/77/97/31/392779731.db2.gz YFYKNBNQFCSDJZ-ZDUSSCGKSA-N 1 2 288.391 3.029 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000186249507 392779737 /nfs/dbraw/zinc/77/97/37/392779737.db2.gz YFYKNBNQFCSDJZ-ZDUSSCGKSA-N 1 2 288.391 3.029 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338925835 392936778 /nfs/dbraw/zinc/93/67/78/392936778.db2.gz MRGIVIDTZYMTIF-INIZCTEOSA-N 1 2 286.379 3.170 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cn(C)nc1-c1ccccc1)C1CC1 ZINC000342898851 393012217 /nfs/dbraw/zinc/01/22/17/393012217.db2.gz CSXZKXCABSNCNI-AWEZNQCLSA-N 1 2 294.402 3.211 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(C)nc1-c1ccccc1)C1CC1 ZINC000342898851 393012222 /nfs/dbraw/zinc/01/22/22/393012222.db2.gz CSXZKXCABSNCNI-AWEZNQCLSA-N 1 2 294.402 3.211 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cn1 ZINC000346290866 393082396 /nfs/dbraw/zinc/08/23/96/393082396.db2.gz HGJJSBXDJRUHEN-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cn1 ZINC000346290866 393082400 /nfs/dbraw/zinc/08/24/00/393082400.db2.gz HGJJSBXDJRUHEN-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000348813388 393132218 /nfs/dbraw/zinc/13/22/18/393132218.db2.gz GNIOAVFQZQLMSB-MRXNPFEDSA-N 1 2 299.374 3.280 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)cc1 ZINC000348813388 393132223 /nfs/dbraw/zinc/13/22/23/393132223.db2.gz GNIOAVFQZQLMSB-MRXNPFEDSA-N 1 2 299.374 3.280 20 30 CGEDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356048303 393353452 /nfs/dbraw/zinc/35/34/52/393353452.db2.gz CANAGMPZIZBKRQ-JTQLQIEISA-N 1 2 275.352 3.347 20 30 CGEDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356048303 393353455 /nfs/dbraw/zinc/35/34/55/393353455.db2.gz CANAGMPZIZBKRQ-JTQLQIEISA-N 1 2 275.352 3.347 20 30 CGEDLO CC(C)c1nc(N[C@H]2CCCc3cc(C#N)ccc32)cc[nH+]1 ZINC000419017317 393363463 /nfs/dbraw/zinc/36/34/63/393363463.db2.gz QWUFGAOOLXBNIF-INIZCTEOSA-N 1 2 292.386 3.383 20 30 CGEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)ccc1C#N ZINC000488449010 393518770 /nfs/dbraw/zinc/51/87/70/393518770.db2.gz ODAHYPOTIFXFGS-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1cc(C[N@H+]2CCOC[C@H]2c2ccccc2)ccc1C#N ZINC000488449010 393518775 /nfs/dbraw/zinc/51/87/75/393518775.db2.gz ODAHYPOTIFXFGS-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1cc(N2CC[C@](C)(c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425238958 393690673 /nfs/dbraw/zinc/69/06/73/393690673.db2.gz NIZIALZJVXVLFN-SFHVURJKSA-N 1 2 277.371 3.430 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2CC(C)(C)CCC#N)no1 ZINC000361169678 393691803 /nfs/dbraw/zinc/69/18/03/393691803.db2.gz ROYLDBKIWNIYAW-ZDUSSCGKSA-N 1 2 276.384 3.235 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@H+]2CC(C)(C)CCC#N)no1 ZINC000361169678 393691809 /nfs/dbraw/zinc/69/18/09/393691809.db2.gz ROYLDBKIWNIYAW-ZDUSSCGKSA-N 1 2 276.384 3.235 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cccc(Br)c1F ZINC000394939679 397696630 /nfs/dbraw/zinc/69/66/30/397696630.db2.gz FJORPYFNOIOSLO-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO C=C(CC)C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000678623333 543546801 /nfs/dbraw/zinc/54/68/01/543546801.db2.gz OGMYYIMJVGLGQA-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(CC)C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000678623333 543546803 /nfs/dbraw/zinc/54/68/03/543546803.db2.gz OGMYYIMJVGLGQA-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000362277811 287156805 /nfs/dbraw/zinc/15/68/05/287156805.db2.gz LKIBJYWSXXDZPM-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362277811 287156807 /nfs/dbraw/zinc/15/68/07/287156807.db2.gz LKIBJYWSXXDZPM-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000127480682 287288948 /nfs/dbraw/zinc/28/89/48/287288948.db2.gz VTMCUWUBJOOIMR-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000127480682 287288949 /nfs/dbraw/zinc/28/89/49/287288949.db2.gz VTMCUWUBJOOIMR-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000354843754 227159711 /nfs/dbraw/zinc/15/97/11/227159711.db2.gz BZWDTVRPZATGPI-UHFFFAOYSA-N 1 2 294.280 3.238 20 30 CGEDLO C=CC[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000660329866 419127971 /nfs/dbraw/zinc/12/79/71/419127971.db2.gz ZBRSZDGGQZZIER-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C=CC[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000660329866 419127973 /nfs/dbraw/zinc/12/79/73/419127973.db2.gz ZBRSZDGGQZZIER-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000353546852 228118136 /nfs/dbraw/zinc/11/81/36/228118136.db2.gz WYXJGYDKWHHTPU-INIZCTEOSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(CC#N)cc2)n1 ZINC000353546852 228118138 /nfs/dbraw/zinc/11/81/38/228118138.db2.gz WYXJGYDKWHHTPU-INIZCTEOSA-N 1 2 296.374 3.171 20 30 CGEDLO C=CCCn1cc(C[NH2+]Cc2cc3cc(C)ccc3o2)nn1 ZINC000657653317 419319579 /nfs/dbraw/zinc/31/95/79/419319579.db2.gz ZIOVOESMBLIODN-UHFFFAOYSA-N 1 2 296.374 3.199 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(Cc2ccccc2)n1 ZINC000662083510 419333571 /nfs/dbraw/zinc/33/35/71/419333571.db2.gz FFCDKYGYZUIDFC-IYBDPMFKSA-N 1 2 295.386 3.343 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(Cc2ccccc2)n1 ZINC000662083510 419333575 /nfs/dbraw/zinc/33/35/75/419333575.db2.gz FFCDKYGYZUIDFC-IYBDPMFKSA-N 1 2 295.386 3.343 20 30 CGEDLO N#CC[N@H+](CCCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000192624798 228192666 /nfs/dbraw/zinc/19/26/66/228192666.db2.gz ZTDXYOMJXMGBIG-UHFFFAOYSA-N 1 2 284.403 3.322 20 30 CGEDLO N#CC[N@@H+](CCCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000192624798 228192667 /nfs/dbraw/zinc/19/26/67/228192667.db2.gz ZTDXYOMJXMGBIG-UHFFFAOYSA-N 1 2 284.403 3.322 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000336167516 228202762 /nfs/dbraw/zinc/20/27/62/228202762.db2.gz KHIAAQZTBNAWDN-LLVKDONJSA-N 1 2 273.311 3.060 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000336167516 228202763 /nfs/dbraw/zinc/20/27/63/228202763.db2.gz KHIAAQZTBNAWDN-LLVKDONJSA-N 1 2 273.311 3.060 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000297948777 260138830 /nfs/dbraw/zinc/13/88/30/260138830.db2.gz SOKKUSSTFJHFPK-AWEZNQCLSA-N 1 2 283.375 3.395 20 30 CGEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000057846681 260225882 /nfs/dbraw/zinc/22/58/82/260225882.db2.gz GFUTYCMCIRYLQF-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000057846681 260225883 /nfs/dbraw/zinc/22/58/83/260225883.db2.gz GFUTYCMCIRYLQF-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000058575390 260227079 /nfs/dbraw/zinc/22/70/79/260227079.db2.gz LGQLOXQNTVSARM-LLVKDONJSA-N 1 2 297.196 3.062 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000058575390 260227081 /nfs/dbraw/zinc/22/70/81/260227081.db2.gz LGQLOXQNTVSARM-LLVKDONJSA-N 1 2 297.196 3.062 20 30 CGEDLO CCO[C@H](CC/[NH+]=C/c1cc(OC)ccc1O)C(C)C ZINC000074797269 260288211 /nfs/dbraw/zinc/28/82/11/260288211.db2.gz NKCVVSLDKMZINF-PCJMVEANSA-N 1 2 279.380 3.271 20 30 CGEDLO O=c1[nH]c2ccccc2cc1C=[NH+]CC[C@H]1CCCCO1 ZINC000182203678 261928508 /nfs/dbraw/zinc/92/85/08/261928508.db2.gz YTVSWZMLHTVALK-GYZOOYGHSA-N 1 2 284.359 3.319 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000364000432 262087329 /nfs/dbraw/zinc/08/73/29/262087329.db2.gz GAKJWKGYUGDDQG-WBVHZDCISA-N 1 2 289.423 3.244 20 30 CGEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000364000432 262087331 /nfs/dbraw/zinc/08/73/31/262087331.db2.gz GAKJWKGYUGDDQG-WBVHZDCISA-N 1 2 289.423 3.244 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)CC[S@](=O)c1ccccc1 ZINC000111250692 262258452 /nfs/dbraw/zinc/25/84/52/262258452.db2.gz XRGQUMOBEDHDDQ-HXUWFJFHSA-N 1 2 292.448 3.056 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)CC[S@](=O)c1ccccc1 ZINC000111250692 262258454 /nfs/dbraw/zinc/25/84/54/262258454.db2.gz XRGQUMOBEDHDDQ-HXUWFJFHSA-N 1 2 292.448 3.056 20 30 CGEDLO N#C[C@H]1CCC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000185867999 262310468 /nfs/dbraw/zinc/31/04/68/262310468.db2.gz LILCAPMFPCTXPT-KBPBESRZSA-N 1 2 270.380 3.176 20 30 CGEDLO CCCCCCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365567051 262370679 /nfs/dbraw/zinc/37/06/79/262370679.db2.gz DFRYSTJCYZMJRV-OAHLLOKOSA-N 1 2 291.439 3.487 20 30 CGEDLO N#CCC[NH+]1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000414160216 262818864 /nfs/dbraw/zinc/81/88/64/262818864.db2.gz XSJCDDDLKXUHIQ-UHFFFAOYSA-N 1 2 276.383 3.396 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CCO[C@H](C)C2)c1 ZINC000273314188 263015190 /nfs/dbraw/zinc/01/51/90/263015190.db2.gz CTMDQETYNRTFHN-GWMMYCTHSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1cccc2ncc(C[N@@H+](CCC#N)CCC(C)C)n21 ZINC000353416205 263020075 /nfs/dbraw/zinc/02/00/75/263020075.db2.gz MBZIIYSCHFQJDL-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccc2ncc(C[N@H+](CCC#N)CCC(C)C)n21 ZINC000353416205 263020076 /nfs/dbraw/zinc/02/00/76/263020076.db2.gz MBZIIYSCHFQJDL-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccc2[nH+]cc(CN(CCC#N)CCC(C)C)n21 ZINC000353416205 263020077 /nfs/dbraw/zinc/02/00/77/263020077.db2.gz MBZIIYSCHFQJDL-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccc(C[N@@H+]2CCCC(C)(C)[C@H]2C#N)c1O ZINC000278344351 263047083 /nfs/dbraw/zinc/04/70/83/263047083.db2.gz HWFZZEUKMFPZHI-CQSZACIVSA-N 1 2 258.365 3.215 20 30 CGEDLO Cc1cccc(C[N@H+]2CCCC(C)(C)[C@H]2C#N)c1O ZINC000278344351 263047084 /nfs/dbraw/zinc/04/70/84/263047084.db2.gz HWFZZEUKMFPZHI-CQSZACIVSA-N 1 2 258.365 3.215 20 30 CGEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](c2ccsc2)O1 ZINC000278569739 263049053 /nfs/dbraw/zinc/04/90/53/263049053.db2.gz JCIOFWDJZMBHFY-GBOPCIDUSA-N 1 2 276.405 3.202 20 30 CGEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](c2ccsc2)O1 ZINC000278569739 263049054 /nfs/dbraw/zinc/04/90/54/263049054.db2.gz JCIOFWDJZMBHFY-GBOPCIDUSA-N 1 2 276.405 3.202 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCCCC1(C#N)CCOCC1 ZINC000281455611 263069340 /nfs/dbraw/zinc/06/93/40/263069340.db2.gz UXIUGEHDVQUWPF-UHFFFAOYSA-N 1 2 288.391 3.432 20 30 CGEDLO CC[C@@H]([NH2+]CCCC#N)c1cccc(Cl)c1O ZINC000287628726 263102438 /nfs/dbraw/zinc/10/24/38/263102438.db2.gz KFLFTNUPXOIVQJ-GFCCVEGCSA-N 1 2 252.745 3.390 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc2cccnc21 ZINC000292063724 263127782 /nfs/dbraw/zinc/12/77/82/263127782.db2.gz CEBOMBSFCVVZSB-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc2cccnc21 ZINC000292063724 263127783 /nfs/dbraw/zinc/12/77/83/263127783.db2.gz CEBOMBSFCVVZSB-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000298601303 263222480 /nfs/dbraw/zinc/22/24/80/263222480.db2.gz LFZMDTDVIUKWRI-LLVKDONJSA-N 1 2 271.339 3.357 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000298601303 263222483 /nfs/dbraw/zinc/22/24/83/263222483.db2.gz LFZMDTDVIUKWRI-LLVKDONJSA-N 1 2 271.339 3.357 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341983123 263370860 /nfs/dbraw/zinc/37/08/60/263370860.db2.gz BOUIRFYLYUPEMD-LBPRGKRZSA-N 1 2 273.302 3.094 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000342018510 263379541 /nfs/dbraw/zinc/37/95/41/263379541.db2.gz YFTRCGCWHZELPR-UHFFFAOYSA-N 1 2 298.308 3.296 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000330801838 264041887 /nfs/dbraw/zinc/04/18/87/264041887.db2.gz ALDWYPIWMZBLJF-GDBMZVCRSA-N 1 2 285.391 3.030 20 30 CGEDLO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000331213684 264163839 /nfs/dbraw/zinc/16/38/39/264163839.db2.gz AKPBWENXIIZNRE-QWHCGFSZSA-N 1 2 292.427 3.328 20 30 CGEDLO CC[C@H](C)C[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331213684 264163841 /nfs/dbraw/zinc/16/38/41/264163841.db2.gz AKPBWENXIIZNRE-QWHCGFSZSA-N 1 2 292.427 3.328 20 30 CGEDLO CCc1cnc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000331341631 264194939 /nfs/dbraw/zinc/19/49/39/264194939.db2.gz SRKPVJIQVWZFRP-UHFFFAOYSA-N 1 2 288.351 3.083 20 30 CGEDLO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331360220 264208861 /nfs/dbraw/zinc/20/88/61/264208861.db2.gz XOIXHEXMZINQAE-HIFRSBDPSA-N 1 2 299.418 3.204 20 30 CGEDLO C=C(C)CNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000160588874 264249123 /nfs/dbraw/zinc/24/91/23/264249123.db2.gz YJHFWSLVRWBPLM-UHFFFAOYSA-N 1 2 254.337 3.089 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000074981283 264318422 /nfs/dbraw/zinc/31/84/22/264318422.db2.gz GLBJNTKLEXQEED-CYBMUJFWSA-N 1 2 281.400 3.201 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000074981283 264318425 /nfs/dbraw/zinc/31/84/25/264318425.db2.gz GLBJNTKLEXQEED-CYBMUJFWSA-N 1 2 281.400 3.201 20 30 CGEDLO C=C(C)CCc1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000289281701 264713250 /nfs/dbraw/zinc/71/32/50/264713250.db2.gz TYPNJGMWNDIRGR-HNNXBMFYSA-N 1 2 271.364 3.229 20 30 CGEDLO C=CCCCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356286412 266089056 /nfs/dbraw/zinc/08/90/56/266089056.db2.gz RVVXCSWURQHDFM-UHFFFAOYSA-N 1 2 285.391 3.207 20 30 CGEDLO C=CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114313899 266122736 /nfs/dbraw/zinc/12/27/36/266122736.db2.gz QXQKCKJLVFAEDS-UHFFFAOYSA-N 1 2 288.734 3.443 20 30 CGEDLO C=CC[C@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000116873570 267185333 /nfs/dbraw/zinc/18/53/33/267185333.db2.gz OSAMRKOVQUWYCK-NSHDSACASA-N 1 2 254.337 3.224 20 30 CGEDLO Cc1cc(N2CCC3(C2)CCCCC3)c(C#N)c[nH+]1 ZINC000399473466 267335680 /nfs/dbraw/zinc/33/56/80/267335680.db2.gz VAITWDKWZPZDMY-UHFFFAOYSA-N 1 2 255.365 3.422 20 30 CGEDLO N#CC1(C[NH2+]Cc2coc(-c3ccccc3)n2)CCC1 ZINC000418139033 267362380 /nfs/dbraw/zinc/36/23/80/267362380.db2.gz HELIAFLMWYUIDL-UHFFFAOYSA-N 1 2 267.332 3.125 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2OC(F)(F)F)CCC1 ZINC000418143878 267365499 /nfs/dbraw/zinc/36/54/99/267365499.db2.gz RJCUIWXMUNMZJP-UHFFFAOYSA-N 1 2 284.281 3.369 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000528770905 270172667 /nfs/dbraw/zinc/17/26/67/270172667.db2.gz VWERUEUOUXCZLW-SNVBAGLBSA-N 1 2 268.282 3.317 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000528770905 270172668 /nfs/dbraw/zinc/17/26/68/270172668.db2.gz VWERUEUOUXCZLW-SNVBAGLBSA-N 1 2 268.282 3.317 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000354041413 279246676 /nfs/dbraw/zinc/24/66/76/279246676.db2.gz TUXRQBZANWZVLN-UHFFFAOYSA-N 1 2 265.426 3.323 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000354041413 279246678 /nfs/dbraw/zinc/24/66/78/279246678.db2.gz TUXRQBZANWZVLN-UHFFFAOYSA-N 1 2 265.426 3.323 20 30 CGEDLO N#Cc1cnccc1Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000547826527 288978949 /nfs/dbraw/zinc/97/89/49/288978949.db2.gz UECNKUCTDGYCSG-UHFFFAOYSA-N 1 2 288.310 3.306 20 30 CGEDLO COc1ccccc1/C=C\C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354045528 295347836 /nfs/dbraw/zinc/34/78/36/295347836.db2.gz VKDUTZZKYVPMGD-BRLPQQTGSA-N 1 2 270.376 3.332 20 30 CGEDLO COc1ccccc1/C=C\C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354045528 295347837 /nfs/dbraw/zinc/34/78/37/295347837.db2.gz VKDUTZZKYVPMGD-BRLPQQTGSA-N 1 2 270.376 3.332 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414433181 328169163 /nfs/dbraw/zinc/16/91/63/328169163.db2.gz PMRFTHXWFXVUIU-UHFFFAOYSA-N 1 2 294.301 3.134 20 30 CGEDLO C[N@H+](CCC#N)CCc1cccc(Cl)c1Cl ZINC000279996971 328233978 /nfs/dbraw/zinc/23/39/78/328233978.db2.gz KUIZQWYPCQGJPJ-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO C[N@@H+](CCC#N)CCc1cccc(Cl)c1Cl ZINC000279996971 328233979 /nfs/dbraw/zinc/23/39/79/328233979.db2.gz KUIZQWYPCQGJPJ-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO N#CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC000287844635 328252081 /nfs/dbraw/zinc/25/20/81/328252081.db2.gz QUVQSEDAEVTRQV-INIZCTEOSA-N 1 2 292.810 3.012 20 30 CGEDLO N#CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC000287844635 328252083 /nfs/dbraw/zinc/25/20/83/328252083.db2.gz QUVQSEDAEVTRQV-INIZCTEOSA-N 1 2 292.810 3.012 20 30 CGEDLO CC(C)(C#N)CC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000288753833 328253563 /nfs/dbraw/zinc/25/35/63/328253563.db2.gz RHODPPMNVHNNGR-OAHLLOKOSA-N 1 2 274.364 3.206 20 30 CGEDLO C[N@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000293276434 328274895 /nfs/dbraw/zinc/27/48/95/328274895.db2.gz CGPRQLFVTSNFSZ-WDEREUQCSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000293276434 328274897 /nfs/dbraw/zinc/27/48/97/328274897.db2.gz CGPRQLFVTSNFSZ-WDEREUQCSA-N 1 2 250.292 3.089 20 30 CGEDLO CCCCCCCCNC(=O)NCc1[nH+]ccn1CC ZINC000296496043 328290833 /nfs/dbraw/zinc/29/08/33/328290833.db2.gz NFRWPJAWCDNZRC-UHFFFAOYSA-N 1 2 280.416 3.063 20 30 CGEDLO Cc1cc(NCc2ccc([C@H]3C[C@@H]3C)o2)c(C#N)c[nH+]1 ZINC000563706520 322007281 /nfs/dbraw/zinc/00/72/81/322007281.db2.gz OPFJHPWGNNKNLE-HZMBPMFUSA-N 1 2 267.332 3.012 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000569822518 322258111 /nfs/dbraw/zinc/25/81/11/322258111.db2.gz MXHGNZKMPYCJHW-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000569822518 322258113 /nfs/dbraw/zinc/25/81/13/322258113.db2.gz MXHGNZKMPYCJHW-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO CCc1[nH+]c(C(C)C)ccc1Cn1ccn2ncc(C#N)c12 ZINC000572740530 322353082 /nfs/dbraw/zinc/35/30/82/322353082.db2.gz GTVFNSGTSGYETQ-UHFFFAOYSA-N 1 2 293.374 3.137 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)ccc1OC ZINC000054183336 328485496 /nfs/dbraw/zinc/48/54/96/328485496.db2.gz HRYXWUVHLOASLE-GFCCVEGCSA-N 1 2 297.196 3.240 20 30 CGEDLO C/C(Cl)=C/C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000528415066 326877836 /nfs/dbraw/zinc/87/78/36/326877836.db2.gz CFWSRYVIIAZSPZ-ACQAZONXSA-N 1 2 289.810 3.011 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000576205844 327024326 /nfs/dbraw/zinc/02/43/26/327024326.db2.gz KIZLNQGHUPVMOF-UHFFFAOYSA-N 1 2 271.408 3.332 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000576205844 327024327 /nfs/dbraw/zinc/02/43/27/327024327.db2.gz KIZLNQGHUPVMOF-UHFFFAOYSA-N 1 2 271.408 3.332 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000377373005 329013065 /nfs/dbraw/zinc/01/30/65/329013065.db2.gz KGYOKDHWHSFXBP-ZBFHGGJFSA-N 1 2 285.416 3.220 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000377373005 329013066 /nfs/dbraw/zinc/01/30/66/329013066.db2.gz KGYOKDHWHSFXBP-ZBFHGGJFSA-N 1 2 285.416 3.220 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@H]2c2noc(C)n2)cc1 ZINC000377615624 329020393 /nfs/dbraw/zinc/02/03/93/329020393.db2.gz MVKSYUVGFZOPRT-INIZCTEOSA-N 1 2 281.359 3.087 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)cc1 ZINC000377615624 329020395 /nfs/dbraw/zinc/02/03/95/329020395.db2.gz MVKSYUVGFZOPRT-INIZCTEOSA-N 1 2 281.359 3.087 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378315719 329045777 /nfs/dbraw/zinc/04/57/77/329045777.db2.gz PIHQUJZMHNGAKJ-CYBMUJFWSA-N 1 2 277.412 3.134 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378315719 329045778 /nfs/dbraw/zinc/04/57/78/329045778.db2.gz PIHQUJZMHNGAKJ-CYBMUJFWSA-N 1 2 277.412 3.134 20 30 CGEDLO CC(C)(C#N)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078651527 329967628 /nfs/dbraw/zinc/96/76/28/329967628.db2.gz QOOWMKFUQCBWGM-UHFFFAOYSA-N 1 2 281.315 3.362 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000528054003 330306248 /nfs/dbraw/zinc/30/62/48/330306248.db2.gz MXCYRTKEFMSERC-UHFFFAOYSA-N 1 2 296.374 3.356 20 30 CGEDLO C=CCN(Cc1c[nH+]c2cc(C)ccn12)CC(F)(F)F ZINC000092471881 330410409 /nfs/dbraw/zinc/41/04/09/330410409.db2.gz UDZFLKNAIYMBTD-UHFFFAOYSA-N 1 2 283.297 3.193 20 30 CGEDLO C=CCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441484319 330770124 /nfs/dbraw/zinc/77/01/24/330770124.db2.gz AATDPQRGVMUTTN-QGZVFWFLSA-N 1 2 297.402 3.324 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1sccc1C)C(=O)OCC ZINC000449657649 330942518 /nfs/dbraw/zinc/94/25/18/330942518.db2.gz QDMWKFNCXGXXEI-GFCCVEGCSA-N 1 2 267.394 3.044 20 30 CGEDLO N#CC1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCC1 ZINC000450508410 330984398 /nfs/dbraw/zinc/98/43/98/330984398.db2.gz ZLZPOQAJUHYYRS-QGZVFWFLSA-N 1 2 277.371 3.454 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000450799165 331000232 /nfs/dbraw/zinc/00/02/32/331000232.db2.gz AAWNCIYIHBQGAL-MNOVXSKESA-N 1 2 272.270 3.246 20 30 CGEDLO C=C(C)CCNC(=O)CCn1c2ccccc2[nH+]c1CCC ZINC000452719484 331073538 /nfs/dbraw/zinc/07/35/38/331073538.db2.gz TVIACZVKACZCRY-UHFFFAOYSA-N 1 2 299.418 3.461 20 30 CGEDLO C=CC(C)(C)c1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000453140798 331093598 /nfs/dbraw/zinc/09/35/98/331093598.db2.gz GNCOANUCYVJYBW-UHFFFAOYSA-N 1 2 296.374 3.434 20 30 CGEDLO C=CC[N@H+](C)Cc1sc(C)cc1Br ZINC000453592106 331135264 /nfs/dbraw/zinc/13/52/64/331135264.db2.gz JWEYLQAFKSYVNV-UHFFFAOYSA-N 1 2 260.200 3.437 20 30 CGEDLO C=CC[N@@H+](C)Cc1sc(C)cc1Br ZINC000453592106 331135263 /nfs/dbraw/zinc/13/52/63/331135263.db2.gz JWEYLQAFKSYVNV-UHFFFAOYSA-N 1 2 260.200 3.437 20 30 CGEDLO CC#CCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000462471048 331322539 /nfs/dbraw/zinc/32/25/39/331322539.db2.gz GWJRLLFPQUGVOQ-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO CC#CCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000462471048 331322540 /nfs/dbraw/zinc/32/25/40/331322540.db2.gz GWJRLLFPQUGVOQ-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCN(C)[C@H](C(C)C)C2)cc1 ZINC000488556726 332017034 /nfs/dbraw/zinc/01/70/34/332017034.db2.gz JYTVUFGRXIJMGB-SFHVURJKSA-N 1 2 288.435 3.023 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCN(C)[C@H](C(C)C)C2)cc1 ZINC000488556726 332017036 /nfs/dbraw/zinc/01/70/36/332017036.db2.gz JYTVUFGRXIJMGB-SFHVURJKSA-N 1 2 288.435 3.023 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000489432533 332051817 /nfs/dbraw/zinc/05/18/17/332051817.db2.gz GCGXKXNROUDGTN-NSHDSACASA-N 1 2 275.377 3.339 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000489432533 332051819 /nfs/dbraw/zinc/05/18/19/332051819.db2.gz GCGXKXNROUDGTN-NSHDSACASA-N 1 2 275.377 3.339 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000489432532 332052068 /nfs/dbraw/zinc/05/20/68/332052068.db2.gz GCGXKXNROUDGTN-LLVKDONJSA-N 1 2 275.377 3.339 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000489432532 332052070 /nfs/dbraw/zinc/05/20/70/332052070.db2.gz GCGXKXNROUDGTN-LLVKDONJSA-N 1 2 275.377 3.339 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000489504451 332057330 /nfs/dbraw/zinc/05/73/30/332057330.db2.gz ADMQLMZABBBPIZ-ZDUSSCGKSA-N 1 2 261.369 3.268 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000489504451 332057331 /nfs/dbraw/zinc/05/73/31/332057331.db2.gz ADMQLMZABBBPIZ-ZDUSSCGKSA-N 1 2 261.369 3.268 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000490779662 332114866 /nfs/dbraw/zinc/11/48/66/332114866.db2.gz YQYJDHOITWSXGW-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000490779662 332114868 /nfs/dbraw/zinc/11/48/68/332114868.db2.gz YQYJDHOITWSXGW-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO C#CC[N@@H+](CC)Cc1coc(-c2c(F)cccc2F)n1 ZINC000490852745 332120645 /nfs/dbraw/zinc/12/06/45/332120645.db2.gz MRMOUKFEVCGGFR-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO C#CC[N@H+](CC)Cc1coc(-c2c(F)cccc2F)n1 ZINC000490852745 332120648 /nfs/dbraw/zinc/12/06/48/332120648.db2.gz MRMOUKFEVCGGFR-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO C#C[C@@H](C)N(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000491475721 332218909 /nfs/dbraw/zinc/21/89/09/332218909.db2.gz ZHGKTQPMHUTERV-CYBMUJFWSA-N 1 2 295.342 3.359 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc(F)cc1 ZINC000491634318 332255518 /nfs/dbraw/zinc/25/55/18/332255518.db2.gz UXEIYIVCJAPEJV-LBPRGKRZSA-N 1 2 297.255 3.032 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(COC)o1)c1ccc(F)cc1 ZINC000491725147 332309318 /nfs/dbraw/zinc/30/93/18/332309318.db2.gz CZJCFLHIXWHKOM-MRXNPFEDSA-N 1 2 273.307 3.029 20 30 CGEDLO C=CCCc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866143 332416645 /nfs/dbraw/zinc/41/66/45/332416645.db2.gz PWLZVOLUWSPXOD-MDZDMXLPSA-N 1 2 267.332 3.180 20 30 CGEDLO CCC[N@H+](CC#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000186650850 333164151 /nfs/dbraw/zinc/16/41/51/333164151.db2.gz YXHKRAUTJVKDTP-ZDUSSCGKSA-N 1 2 278.371 3.248 20 30 CGEDLO CCC[N@@H+](CC#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000186650850 333164152 /nfs/dbraw/zinc/16/41/52/333164152.db2.gz YXHKRAUTJVKDTP-ZDUSSCGKSA-N 1 2 278.371 3.248 20 30 CGEDLO CC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H](C)C#N ZINC000522229223 333267932 /nfs/dbraw/zinc/26/79/32/333267932.db2.gz FHSLWJPQXHMFPG-JTQLQIEISA-N 1 2 280.755 3.050 20 30 CGEDLO CC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H](C)C#N ZINC000522229223 333267934 /nfs/dbraw/zinc/26/79/34/333267934.db2.gz FHSLWJPQXHMFPG-JTQLQIEISA-N 1 2 280.755 3.050 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000230936678 333322641 /nfs/dbraw/zinc/32/26/41/333322641.db2.gz KHYCFTBMAUBQTR-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccnc3ccccc23)c1 ZINC000545220191 333970497 /nfs/dbraw/zinc/97/04/97/333970497.db2.gz CHZIJIXQBVOKCN-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000074290908 334002107 /nfs/dbraw/zinc/00/21/07/334002107.db2.gz FCEVNMWKYMBAAQ-UHFFFAOYSA-N 1 2 268.316 3.207 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c[nH]c(-c3ccccc3)n2)c1 ZINC000545928102 334007287 /nfs/dbraw/zinc/00/72/87/334007287.db2.gz ZHBKYFAMKTZTJD-UHFFFAOYSA-N 1 2 289.342 3.150 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc3ncccc3c2)c1 ZINC000546634253 334042202 /nfs/dbraw/zinc/04/22/02/334042202.db2.gz AHRONMQDROBRHA-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c[nH]nc2-c2ccsc2)c1 ZINC000548031758 334135765 /nfs/dbraw/zinc/13/57/65/334135765.db2.gz DMXCYIIEPLMPHA-UHFFFAOYSA-N 1 2 295.371 3.211 20 30 CGEDLO N#CCC[N@@H+](Cc1nc2ccccc2s1)CC1CC1 ZINC000081043801 334177124 /nfs/dbraw/zinc/17/71/24/334177124.db2.gz QFVZVEMTMKTWPQ-UHFFFAOYSA-N 1 2 271.389 3.422 20 30 CGEDLO N#CCC[N@H+](Cc1nc2ccccc2s1)CC1CC1 ZINC000081043801 334177125 /nfs/dbraw/zinc/17/71/25/334177125.db2.gz QFVZVEMTMKTWPQ-UHFFFAOYSA-N 1 2 271.389 3.422 20 30 CGEDLO Cc1cc(Br)c(C[NH2+]C[C@H](C)C#N)s1 ZINC000576590534 335223550 /nfs/dbraw/zinc/22/35/50/335223550.db2.gz UTEJDQMVIWQIDX-SSDOTTSWSA-N 1 2 273.199 3.068 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000580842070 335974318 /nfs/dbraw/zinc/97/43/18/335974318.db2.gz VHYSXLUMVMHUAZ-VXGBXAGGSA-N 1 2 293.798 3.257 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000581366492 336061993 /nfs/dbraw/zinc/06/19/93/336061993.db2.gz FOWITASWIXAWNN-JKSUJKDBSA-N 1 2 291.354 3.312 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000581378777 336065257 /nfs/dbraw/zinc/06/52/57/336065257.db2.gz STCDLIFYTJRIQH-ZIAGYGMSSA-N 1 2 287.407 3.419 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OCC)c1ccccc1 ZINC000382490683 336091839 /nfs/dbraw/zinc/09/18/39/336091839.db2.gz CZAZMYWACKOCFH-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OCC)c1ccccc1 ZINC000382490683 336091840 /nfs/dbraw/zinc/09/18/40/336091840.db2.gz CZAZMYWACKOCFH-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO Cc1ccc(CCNc2nc(C)c(C#N)cc2Cl)[nH+]c1 ZINC000413348713 533808692 /nfs/dbraw/zinc/80/86/92/533808692.db2.gz PGKCPTOUQJUCRB-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO C=CCOCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000338994816 517335563 /nfs/dbraw/zinc/33/55/63/517335563.db2.gz IQOOLTVAIFHTJZ-CZUORRHYSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000338994816 517335574 /nfs/dbraw/zinc/33/55/74/517335574.db2.gz IQOOLTVAIFHTJZ-CZUORRHYSA-N 1 2 295.810 3.304 20 30 CGEDLO CC#CCCCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000185413136 519335874 /nfs/dbraw/zinc/33/58/74/519335874.db2.gz IXIOKJJDLFSKGG-UHFFFAOYSA-N 1 2 281.359 3.219 20 30 CGEDLO C=CCCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000263822564 534617877 /nfs/dbraw/zinc/61/78/77/534617877.db2.gz QOUCVUOOVTZULU-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO N#Cc1cccc(CCNc2[nH+]ccc3ccc(F)cc32)c1 ZINC000359929815 534805182 /nfs/dbraw/zinc/80/51/82/534805182.db2.gz MSRRVVKWBHOHQW-UHFFFAOYSA-N 1 2 291.329 3.322 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157501678 526616156 /nfs/dbraw/zinc/61/61/56/526616156.db2.gz JZWKNZTUWKNGBT-HNNXBMFYSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157501678 526616160 /nfs/dbraw/zinc/61/61/60/526616160.db2.gz JZWKNZTUWKNGBT-HNNXBMFYSA-N 1 2 284.384 3.193 20 30 CGEDLO C=C(CC)C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000347347494 526852209 /nfs/dbraw/zinc/85/22/09/526852209.db2.gz UIJJLOTVPSBAEU-ZIAGYGMSSA-N 1 2 291.395 3.414 20 30 CGEDLO C=C(CC)C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000347347494 526852213 /nfs/dbraw/zinc/85/22/13/526852213.db2.gz UIJJLOTVPSBAEU-ZIAGYGMSSA-N 1 2 291.395 3.414 20 30 CGEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1F ZINC000343588484 529156519 /nfs/dbraw/zinc/15/65/19/529156519.db2.gz SGVVUXSMCAJKBW-CYBMUJFWSA-N 1 2 250.292 3.309 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cnc3ccccc3n2)s1 ZINC000727258438 571735992 /nfs/dbraw/zinc/73/59/92/571735992.db2.gz JUBLOHXCTPXODN-UHFFFAOYSA-N 1 2 297.387 3.203 20 30 CGEDLO COc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147475 571950995 /nfs/dbraw/zinc/95/09/95/571950995.db2.gz OUYPESJOZZKPEX-UHFFFAOYSA-N 1 2 277.327 3.111 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CC[C@@H](SC)C2)c1O ZINC000743043149 572392870 /nfs/dbraw/zinc/39/28/70/572392870.db2.gz SEMXYYRUYMNVIP-VYBIZCNCSA-N 1 2 279.405 3.494 20 30 CGEDLO CC(=[NH+]Nc1ccc(F)cn1)c1ccc(N(C)C)cc1 ZINC000731321206 572407572 /nfs/dbraw/zinc/40/75/72/572407572.db2.gz FWUJCGSDMXBVAA-UHFFFAOYSA-N 1 2 272.327 3.123 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000741464147 572499967 /nfs/dbraw/zinc/49/99/67/572499967.db2.gz LGYKPXYBBPELOU-KPIYYBAOSA-N 1 2 251.329 3.442 20 30 CGEDLO Cc1cc(C)cc(C[C@@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)c1 ZINC000741844922 572534612 /nfs/dbraw/zinc/53/46/12/572534612.db2.gz REDALTYNRJODKJ-BUESGFEBSA-N 1 2 299.370 3.470 20 30 CGEDLO COc1cccc(O)c1C=Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000743045518 572635631 /nfs/dbraw/zinc/63/56/31/572635631.db2.gz NRWGGPRNBWXPJO-UHFFFAOYSA-N 1 2 295.342 3.347 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000746652782 572887544 /nfs/dbraw/zinc/88/75/44/572887544.db2.gz QUKDXKSOJNCQMA-UHFFFAOYSA-N 1 2 269.772 3.278 20 30 CGEDLO C=C(Cl)C[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000746652782 572887548 /nfs/dbraw/zinc/88/75/48/572887548.db2.gz QUKDXKSOJNCQMA-UHFFFAOYSA-N 1 2 269.772 3.278 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2CCC(OC)CC2)c1 ZINC000749931978 573062653 /nfs/dbraw/zinc/06/26/53/573062653.db2.gz YKGCSLDZFFERGQ-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)C2CCC(C)CC2)CC1 ZINC000948692682 613712476 /nfs/dbraw/zinc/71/24/76/613712476.db2.gz BJDKICQULMWRJF-OFLPRAFFSA-N 1 2 292.467 3.169 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c(O)c1 ZINC000255138020 617971056 /nfs/dbraw/zinc/97/10/56/617971056.db2.gz VYACNLDDKXTMMF-VURMDHGXSA-N 1 2 278.311 3.244 20 30 CGEDLO CN(C)c1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255290405 618162675 /nfs/dbraw/zinc/16/26/75/618162675.db2.gz OWULJENMDOJACR-KHPPLWFESA-N 1 2 291.354 3.296 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC000891696175 618248685 /nfs/dbraw/zinc/24/86/85/618248685.db2.gz KFNNZCDKCHDVJC-UHFFFAOYSA-N 1 2 252.745 3.170 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cc(O)cc(Cl)c1 ZINC000891696175 618248686 /nfs/dbraw/zinc/24/86/86/618248686.db2.gz KFNNZCDKCHDVJC-UHFFFAOYSA-N 1 2 252.745 3.170 20 30 CGEDLO C#CC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(F)cc1 ZINC000891824997 618319731 /nfs/dbraw/zinc/31/97/31/618319731.db2.gz WBKJRHBMPINPCC-UHFFFAOYSA-N 1 2 297.377 3.072 20 30 CGEDLO C#CC[N@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(F)cc1 ZINC000891824997 618319735 /nfs/dbraw/zinc/31/97/35/618319735.db2.gz WBKJRHBMPINPCC-UHFFFAOYSA-N 1 2 297.377 3.072 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1cccc(C#N)c1O ZINC000926583294 618753101 /nfs/dbraw/zinc/75/31/01/618753101.db2.gz UZCHSFWUVJBOQK-JKOKRWQUSA-N 1 2 276.405 3.199 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1F ZINC000255675595 618775352 /nfs/dbraw/zinc/77/53/52/618775352.db2.gz OGVAJXDGJVPITO-SREVYHEPSA-N 1 2 296.301 3.378 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cnn(C(C)C)c3)n2c1 ZINC000255692657 618777963 /nfs/dbraw/zinc/77/79/63/618777963.db2.gz KTWXHQGWJNVZPM-WAYWQWQTSA-N 1 2 294.358 3.316 20 30 CGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178143131 618859386 /nfs/dbraw/zinc/85/93/86/618859386.db2.gz FMLRNMFQWAVLNT-LBPRGKRZSA-N 1 2 299.330 3.187 20 30 CGEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2cccnc2)cc1 ZINC000926872872 618960051 /nfs/dbraw/zinc/96/00/51/618960051.db2.gz CFEJDDVDDNNSAG-QGZVFWFLSA-N 1 2 277.371 3.373 20 30 CGEDLO COc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)on1 ZINC000925601803 619081323 /nfs/dbraw/zinc/08/13/23/619081323.db2.gz OWVUUFPAXKHLMJ-OCCSQVGLSA-N 1 2 285.347 3.379 20 30 CGEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000893564777 619224099 /nfs/dbraw/zinc/22/40/99/619224099.db2.gz GUMKXOILTYCSBH-CQSZACIVSA-N 1 2 299.761 3.264 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000894104232 619375421 /nfs/dbraw/zinc/37/54/21/619375421.db2.gz ZZISBJSGZBTHCC-AWEZNQCLSA-N 1 2 296.399 3.064 20 30 CGEDLO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H](C)C#N ZINC000894453412 619543117 /nfs/dbraw/zinc/54/31/17/619543117.db2.gz UDFWUCZOTARMPS-GFCCVEGCSA-N 1 2 282.391 3.047 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178941296 619702162 /nfs/dbraw/zinc/70/21/62/619702162.db2.gz KHFYBLXLEWVKIV-JXMROGBWSA-N 1 2 278.311 3.239 20 30 CGEDLO O=C1c2ccccc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000178941331 619702599 /nfs/dbraw/zinc/70/25/99/619702599.db2.gz MPDPXLYEYXQFTP-ACCUITESSA-N 1 2 260.296 3.157 20 30 CGEDLO CN(C)c1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178943843 619705411 /nfs/dbraw/zinc/70/54/11/619705411.db2.gz OWULJENMDOJACR-ZHACJKMWSA-N 1 2 291.354 3.296 20 30 CGEDLO CCc1onc(C)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000895403521 619823480 /nfs/dbraw/zinc/82/34/80/619823480.db2.gz MOKJUHHDYNZRPK-UHFFFAOYSA-N 1 2 261.369 3.109 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccsc1)C(=O)OCC ZINC000895597276 619858085 /nfs/dbraw/zinc/85/80/85/619858085.db2.gz HLRJWPJXKGIELL-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000896501501 620017835 /nfs/dbraw/zinc/01/78/35/620017835.db2.gz RZNABLLFJAMOSW-CQSZACIVSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000896501501 620017837 /nfs/dbraw/zinc/01/78/37/620017837.db2.gz RZNABLLFJAMOSW-CQSZACIVSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC(C)(C)C2)c1 ZINC000840709558 620103436 /nfs/dbraw/zinc/10/34/36/620103436.db2.gz JYFARVHFQAKVSP-PBSOMRJOSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cccc(F)c1Br ZINC000167887173 620159406 /nfs/dbraw/zinc/15/94/06/620159406.db2.gz ZOOFPGNAALDSSN-UHFFFAOYSA-N 1 2 278.552 3.430 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cnc(C3CCC3)s2)n1 ZINC000897633225 620414887 /nfs/dbraw/zinc/41/48/87/620414887.db2.gz YBQXTTWYCUGSCS-UHFFFAOYSA-N 1 2 290.417 3.029 20 30 CGEDLO C[C@]1(C=[NH+]n2nnc3c2CCCC3)C[C@@H]1c1ccccc1 ZINC000901329429 620856147 /nfs/dbraw/zinc/85/61/47/620856147.db2.gz XHDAOCBFGLSWON-RHSMWYFYSA-N 1 2 280.375 3.185 20 30 CGEDLO CCCOc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901437601 620887410 /nfs/dbraw/zinc/88/74/10/620887410.db2.gz IOOMTKJUPHRPQZ-TWGQIWQCSA-N 1 2 270.332 3.105 20 30 CGEDLO CC(C)c1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901438268 620887601 /nfs/dbraw/zinc/88/76/01/620887601.db2.gz ODZNUEHAHUJLFQ-CMDGGOBGSA-N 1 2 254.333 3.440 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1[nH]c(C)c(C)[nH+]1 ZINC000901468610 620896431 /nfs/dbraw/zinc/89/64/31/620896431.db2.gz NQLLQZPNTAVILA-FPLPWBNLSA-N 1 2 286.379 3.317 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2ccccc2[C@@H]1C ZINC000901505369 620904103 /nfs/dbraw/zinc/90/41/03/620904103.db2.gz APFDEPIXGFXLPO-LWHXSLQUSA-N 1 2 252.317 3.286 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc1O ZINC000901510278 620908213 /nfs/dbraw/zinc/90/82/13/620908213.db2.gz AUSYQLFYBUNWEI-WAYWQWQTSA-N 1 2 286.331 3.074 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)n1 ZINC000901652032 620967223 /nfs/dbraw/zinc/96/72/23/620967223.db2.gz BGRGZEIOYHJCSK-ZDUSSCGKSA-N 1 2 291.326 3.070 20 30 CGEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2cc(C#N)ccn2)o1 ZINC000902817945 621454036 /nfs/dbraw/zinc/45/40/36/621454036.db2.gz GSMKDFWNGWGJCK-WBMJQRKESA-N 1 2 299.374 3.147 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1sccc1Br ZINC000903101706 621574181 /nfs/dbraw/zinc/57/41/81/621574181.db2.gz LDRUPSADOULLBU-MRVPVSSYSA-N 1 2 285.210 3.465 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccc(C#N)c1O ZINC000903318563 621689435 /nfs/dbraw/zinc/68/94/35/621689435.db2.gz QHYFMOONAMODFW-IDTSFGKNSA-N 1 2 256.349 3.103 20 30 CGEDLO CC[C@H]([NH2+]C/C=C/Cl)c1cccc(C#N)c1O ZINC000903443774 621755259 /nfs/dbraw/zinc/75/52/59/621755259.db2.gz KUJWAGHMIMDLOE-NTYUQYKDSA-N 1 2 250.729 3.057 20 30 CGEDLO C=CCC1(c2nc(-c3ccc(N)[nH+]c3C)no2)CCCC1 ZINC000904262481 621894298 /nfs/dbraw/zinc/89/42/98/621894298.db2.gz GZKVMUFTEWBHGO-UHFFFAOYSA-N 1 2 284.363 3.410 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CC1C[C@H]2CC[C@@H](C1)S2 ZINC000905003574 622027600 /nfs/dbraw/zinc/02/76/00/622027600.db2.gz YCQVATKPDYQEJY-UYMSSYASSA-N 1 2 261.390 3.485 20 30 CGEDLO C=C(C)C[N@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1 ZINC000906302612 622214791 /nfs/dbraw/zinc/21/47/91/622214791.db2.gz NVEVDIUJTFXDQG-UHFFFAOYSA-N 1 2 282.391 3.191 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cn(C2CC2)nn1)Cc1ccccc1 ZINC000906302612 622214795 /nfs/dbraw/zinc/21/47/95/622214795.db2.gz NVEVDIUJTFXDQG-UHFFFAOYSA-N 1 2 282.391 3.191 20 30 CGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(Cl)c(N)c1 ZINC000814902198 623058082 /nfs/dbraw/zinc/05/80/82/623058082.db2.gz IGLDVPNRAJHIIV-UHFFFAOYSA-N 1 2 278.718 3.292 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H](C)c2nccs2)c(O)c1 ZINC000753992997 623747008 /nfs/dbraw/zinc/74/70/08/623747008.db2.gz BYSJMPRKCUJGKK-FFCYNSPCSA-N 1 2 290.388 3.470 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993061775 623812494 /nfs/dbraw/zinc/81/24/94/623812494.db2.gz XYAIFURJOUDVNB-AAEUAGOBSA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993061775 623812497 /nfs/dbraw/zinc/81/24/97/623812497.db2.gz XYAIFURJOUDVNB-AAEUAGOBSA-N 1 2 298.839 3.083 20 30 CGEDLO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000834999074 623845884 /nfs/dbraw/zinc/84/58/84/623845884.db2.gz QIEAKOWTHLZAHK-SSDOTTSWSA-N 1 2 279.693 3.187 20 30 CGEDLO CC(=[NH+]NC(=S)Nc1ccccc1C)c1ccc(N)cc1 ZINC000916542308 624171056 /nfs/dbraw/zinc/17/10/56/624171056.db2.gz XTZOZSGSIBSNLK-UHFFFAOYSA-N 1 2 298.415 3.288 20 30 CGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc(N)cc1 ZINC000916541265 624171409 /nfs/dbraw/zinc/17/14/09/624171409.db2.gz MPZXZEQTVRZIEO-UHFFFAOYSA-N 1 2 270.292 3.013 20 30 CGEDLO C=C(Cl)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064518558 624628669 /nfs/dbraw/zinc/62/86/69/624628669.db2.gz QXDJZNBDFTZYPY-INIZCTEOSA-N 1 2 295.810 3.429 20 30 CGEDLO C=C(Cl)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064518558 624628673 /nfs/dbraw/zinc/62/86/73/624628673.db2.gz QXDJZNBDFTZYPY-INIZCTEOSA-N 1 2 295.810 3.429 20 30 CGEDLO C=C(Cl)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000068301682 624702645 /nfs/dbraw/zinc/70/26/45/624702645.db2.gz QXDJZNBDFTZYPY-MRXNPFEDSA-N 1 2 295.810 3.429 20 30 CGEDLO C=C(Cl)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000068301682 624702648 /nfs/dbraw/zinc/70/26/48/624702648.db2.gz QXDJZNBDFTZYPY-MRXNPFEDSA-N 1 2 295.810 3.429 20 30 CGEDLO CN1CCc2cc(C=[NH+]Nc3ccc(Cl)nc3)ccc21 ZINC000752733120 626436254 /nfs/dbraw/zinc/43/62/54/626436254.db2.gz WCMABBXDDYDUEX-UHFFFAOYSA-N 1 2 286.766 3.173 20 30 CGEDLO CC(=[NH+]NC[C@H](C)C#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000754711661 626583911 /nfs/dbraw/zinc/58/39/11/626583911.db2.gz SWXJTOMDFMYFCS-SSDOTTSWSA-N 1 2 285.178 3.049 20 30 CGEDLO CC(=[NH+]Nc1nc2ccccc2[nH]1)c1ccc(N)cc1C ZINC000758089292 626826427 /nfs/dbraw/zinc/82/64/27/626826427.db2.gz BMSYJKVRLNFCQN-UHFFFAOYSA-N 1 2 279.347 3.290 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761763851 627059012 /nfs/dbraw/zinc/05/90/12/627059012.db2.gz ZFGGFAQOGUQQLS-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761763851 627059015 /nfs/dbraw/zinc/05/90/15/627059015.db2.gz ZFGGFAQOGUQQLS-KBXCAEBGSA-N 1 2 293.370 3.088 20 30 CGEDLO CC(C)(C)Oc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000764922295 627233103 /nfs/dbraw/zinc/23/31/03/627233103.db2.gz XTYWFYGUWKPVKD-CMDGGOBGSA-N 1 2 270.332 3.483 20 30 CGEDLO CC(=[NH+]OCC(F)(F)F)c1ccccc1N(C)C ZINC000769583792 627567804 /nfs/dbraw/zinc/56/78/04/627567804.db2.gz GEJHXBVELWLROP-UHFFFAOYSA-N 1 2 260.259 3.056 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Cl)cc(F)c1O ZINC000775638219 628118491 /nfs/dbraw/zinc/11/84/91/628118491.db2.gz CGBHTDOXERRAMD-UHFFFAOYSA-N 1 2 255.720 3.359 20 30 CGEDLO Cc1cc(F)ccc1NN=Cc1c[nH+]ccc1N(C)C ZINC000776188301 628178028 /nfs/dbraw/zinc/17/80/28/628178028.db2.gz YVBOLKNMJXWJGT-UHFFFAOYSA-N 1 2 272.327 3.041 20 30 CGEDLO CC1(C)CCC[C@@H]1NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000782287568 628634124 /nfs/dbraw/zinc/63/41/24/628634124.db2.gz MUBHIBNJYPHVGQ-HNNXBMFYSA-N 1 2 286.423 3.206 20 30 CGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N)cc1Cl ZINC000782908863 628667373 /nfs/dbraw/zinc/66/73/73/628667373.db2.gz WTWUVZUGLLNAKP-UHFFFAOYSA-N 1 2 278.718 3.292 20 30 CGEDLO CCCC[C@@H](CC)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000783567739 628726376 /nfs/dbraw/zinc/72/63/76/628726376.db2.gz WPMJGLDXUKPGHG-NVXWUHKLSA-N 1 2 277.456 3.265 20 30 CGEDLO CCCC[C@@H](CC)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000783567739 628726378 /nfs/dbraw/zinc/72/63/78/628726378.db2.gz WPMJGLDXUKPGHG-NVXWUHKLSA-N 1 2 277.456 3.265 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C(C)C ZINC000785662279 628877844 /nfs/dbraw/zinc/87/78/44/628877844.db2.gz WPAFPPMSTSDVBD-UHFFFAOYSA-N 1 2 289.354 3.196 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C(C)C ZINC000785662279 628877846 /nfs/dbraw/zinc/87/78/46/628877846.db2.gz WPAFPPMSTSDVBD-UHFFFAOYSA-N 1 2 289.354 3.196 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(CCCC)n1 ZINC000787998013 629038299 /nfs/dbraw/zinc/03/82/99/629038299.db2.gz VRTSJTUVKSXXEL-UHFFFAOYSA-N 1 2 250.411 3.329 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1csc(CCCC)n1 ZINC000787998013 629038303 /nfs/dbraw/zinc/03/83/03/629038303.db2.gz VRTSJTUVKSXXEL-UHFFFAOYSA-N 1 2 250.411 3.329 20 30 CGEDLO Cc1cccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000794697290 629567797 /nfs/dbraw/zinc/56/77/97/629567797.db2.gz YFJGNYSNPMBMAU-BQYQJAHWSA-N 1 2 286.400 3.409 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)s1 ZINC000794698715 629569353 /nfs/dbraw/zinc/56/93/53/629569353.db2.gz QFANTQHSCNOCLF-FNORWQNLSA-N 1 2 292.429 3.471 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCCOC2)c1 ZINC000864344815 629813838 /nfs/dbraw/zinc/81/38/38/629813838.db2.gz HOISXPJSLSTLPK-HNEYUBDGSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC[C@H]2CCCOC2)c1O ZINC000864345467 629815054 /nfs/dbraw/zinc/81/50/54/629815054.db2.gz XVGFLMILZKBWBI-VVBXCHJUSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1ccc2c(NNc3cc(C)[nH+]c(C)n3)csc2c1 ZINC000797787411 629982128 /nfs/dbraw/zinc/98/21/28/629982128.db2.gz ONUWEUDMEHLDGW-UHFFFAOYSA-N 1 2 284.388 3.324 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798086684 630020429 /nfs/dbraw/zinc/02/04/29/630020429.db2.gz UOZYBPIRTWWAKW-MEBBXXQBSA-N 1 2 299.773 3.256 20 30 CGEDLO N#Cc1ccc2[nH]c(NCc3cnc(C4CC4)s3)[nH+]c2c1 ZINC000865296286 630058707 /nfs/dbraw/zinc/05/87/07/630058707.db2.gz UEKVSPIXTUNGAV-UHFFFAOYSA-N 1 2 295.371 3.381 20 30 CGEDLO COc1cccc(C=NNc2cc[nH+]c3ccccc23)c1F ZINC000799879706 630238407 /nfs/dbraw/zinc/23/84/07/630238407.db2.gz MINGSVZKPQNMKU-UHFFFAOYSA-N 1 2 295.317 3.250 20 30 CGEDLO Cc1cc(OCCO[C@H](C)C#N)c2cccc(C)c2[nH+]1 ZINC000802732880 630406550 /nfs/dbraw/zinc/40/65/50/630406550.db2.gz REYXNKFZWIBQHS-CYBMUJFWSA-N 1 2 270.332 3.159 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCSC(C)C)c(O)c1 ZINC000804599090 630541972 /nfs/dbraw/zinc/54/19/72/630541972.db2.gz UVLCVFOKQRCKEO-XNTDXEJSSA-N 1 2 267.394 3.351 20 30 CGEDLO CC(=[NH+]Nc1ccc(F)cc1)c1cc(N)ccc1F ZINC000814693398 631625250 /nfs/dbraw/zinc/62/52/50/631625250.db2.gz NQQNIYYFZZZMOC-UHFFFAOYSA-N 1 2 261.275 3.383 20 30 CGEDLO CCC(=[NH+]NCC(F)(F)F)c1ccc(Cl)c(N)c1 ZINC000814904467 631673601 /nfs/dbraw/zinc/67/36/01/631673601.db2.gz KKQCPEQPHXZKIT-UHFFFAOYSA-N 1 2 279.693 3.188 20 30 CGEDLO NC(=[NH+]OCC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000818075415 632284013 /nfs/dbraw/zinc/28/40/13/632284013.db2.gz UBUWZGFVJWBXTP-SECBINFHSA-N 1 2 291.153 3.047 20 30 CGEDLO C#CCOc1cc(F)ccc1NCc1c[nH+]cn1C(C)C ZINC000818191626 632295051 /nfs/dbraw/zinc/29/50/51/632295051.db2.gz ICZZYOSORFYMBV-UHFFFAOYSA-N 1 2 287.338 3.227 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=N[C@@H](C)c1ccncc1 ZINC000819816473 632524196 /nfs/dbraw/zinc/52/41/96/632524196.db2.gz JIGZPKHGEQTEFW-HNNXBMFYSA-N 1 2 294.402 3.124 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000820930896 632701818 /nfs/dbraw/zinc/70/18/18/632701818.db2.gz ZSFRTWODRISYSO-HUUCEWRRSA-N 1 2 291.439 3.390 20 30 CGEDLO CSC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866276321 633059869 /nfs/dbraw/zinc/05/98/69/633059869.db2.gz NRMQIMHHZVKTSY-JTQLQIEISA-N 1 2 264.394 3.056 20 30 CGEDLO COCCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866286014 633065659 /nfs/dbraw/zinc/06/56/59/633065659.db2.gz UDERDCCJHDJVEV-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1O ZINC000866307214 633074743 /nfs/dbraw/zinc/07/47/43/633074743.db2.gz USSHOJZSDXLMIH-JSGCOSHPSA-N 1 2 286.375 3.016 20 30 CGEDLO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866341474 633088899 /nfs/dbraw/zinc/08/88/99/633088899.db2.gz YBUZALYEUONCAW-UKRRQHHQSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C#N)c1O ZINC000866356136 633097007 /nfs/dbraw/zinc/09/70/07/633097007.db2.gz IYJWIJZNADABCZ-GFCCVEGCSA-N 1 2 271.364 3.244 20 30 CGEDLO C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(C#N)c1O ZINC000866357726 633098871 /nfs/dbraw/zinc/09/88/71/633098871.db2.gz VPRRQWORECYMGY-NSHDSACASA-N 1 2 262.328 3.197 20 30 CGEDLO C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cccc(C#N)c1O ZINC000866381145 633112619 /nfs/dbraw/zinc/11/26/19/633112619.db2.gz IDKVUSSABKCXLL-BNOWGMLFSA-N 1 2 288.391 3.261 20 30 CGEDLO N#CCc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866381286 633113204 /nfs/dbraw/zinc/11/32/04/633113204.db2.gz PLKKQQRHZDLOSX-WMZOPIPTSA-N 1 2 296.345 3.314 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc(C#N)c1O ZINC000866388526 633117000 /nfs/dbraw/zinc/11/70/00/633117000.db2.gz CIALENUJBKBNGC-GOPGUHFVSA-N 1 2 294.354 3.093 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2ncncc2C#N)cc1 ZINC000825727752 633377911 /nfs/dbraw/zinc/37/79/11/633377911.db2.gz KEYIBSGOMPXTKS-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2ncncc2C#N)cc1 ZINC000825727752 633377915 /nfs/dbraw/zinc/37/79/15/633377915.db2.gz KEYIBSGOMPXTKS-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CC1(C#N)CCC([NH2+]CC(F)(F)Br)CC1 ZINC000830395025 633859246 /nfs/dbraw/zinc/85/92/46/633859246.db2.gz CQBIFECGYQPEHY-UHFFFAOYSA-N 1 2 281.144 3.036 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000876681649 634880042 /nfs/dbraw/zinc/88/00/42/634880042.db2.gz WQZVXQNTBDFHCM-MLGOLLRUSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000876681649 634880045 /nfs/dbraw/zinc/88/00/45/634880045.db2.gz WQZVXQNTBDFHCM-MLGOLLRUSA-N 1 2 294.345 3.278 20 30 CGEDLO CC(C)[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000876797029 634900002 /nfs/dbraw/zinc/90/00/02/634900002.db2.gz QSQWIQAYGSXFCW-ZDUSSCGKSA-N 1 2 295.839 3.180 20 30 CGEDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000876797029 634900007 /nfs/dbraw/zinc/90/00/07/634900007.db2.gz QSQWIQAYGSXFCW-ZDUSSCGKSA-N 1 2 295.839 3.180 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877149172 635001794 /nfs/dbraw/zinc/00/17/94/635001794.db2.gz HFTBPQKCBYOGRB-UHFFFAOYSA-N 1 2 294.660 3.456 20 30 CGEDLO C#C[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(F)cc1 ZINC000877544700 635082046 /nfs/dbraw/zinc/08/20/46/635082046.db2.gz UTMDSZIUKLONSM-SJKOYZFVSA-N 1 2 283.350 3.258 20 30 CGEDLO CC([NH2+]Nc1oc(C(C)(C)C)nc1C#N)=C1CC1(F)F ZINC000841622526 635199763 /nfs/dbraw/zinc/19/97/63/635199763.db2.gz WKXKIPGTCCANSQ-QMMMGPOBSA-N 1 2 282.294 3.287 20 30 CGEDLO NC(=[NH+]OC[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1 ZINC000842019229 635256330 /nfs/dbraw/zinc/25/63/30/635256330.db2.gz JLDZZLWVEDWFBE-SECBINFHSA-N 1 2 288.725 3.412 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2n(n1)CCCC2 ZINC000842850751 635498223 /nfs/dbraw/zinc/49/82/23/635498223.db2.gz DQACRSLFPYQCIR-GFCCVEGCSA-N 1 2 298.365 3.081 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC(C)C)c1ccc(F)cc1 ZINC000843410163 635661219 /nfs/dbraw/zinc/66/12/19/635661219.db2.gz UQVKJAKEVIWZMS-QGZVFWFLSA-N 1 2 285.366 3.142 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC000879311893 635753977 /nfs/dbraw/zinc/75/39/77/635753977.db2.gz YBVLWYBEWBDJQL-DGCLKSJQSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC000879311893 635753988 /nfs/dbraw/zinc/75/39/88/635753988.db2.gz YBVLWYBEWBDJQL-DGCLKSJQSA-N 1 2 293.754 3.372 20 30 CGEDLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCC#N ZINC000880173932 635928326 /nfs/dbraw/zinc/92/83/26/635928326.db2.gz QHDREXVCGOANPI-AWEZNQCLSA-N 1 2 276.405 3.089 20 30 CGEDLO COc1ccccc1[C@@H]1CSCCC[N@H+]1CCC#N ZINC000880173932 635928328 /nfs/dbraw/zinc/92/83/28/635928328.db2.gz QHDREXVCGOANPI-AWEZNQCLSA-N 1 2 276.405 3.089 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000845272200 636019158 /nfs/dbraw/zinc/01/91/58/636019158.db2.gz NLQSLDIQPPDMNE-GFCCVEGCSA-N 1 2 282.347 3.182 20 30 CGEDLO C=CC[C@@H]1CC[C@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000845917873 636118676 /nfs/dbraw/zinc/11/86/76/636118676.db2.gz XPEJHCOEBGMYIG-ZBFHGGJFSA-N 1 2 274.408 3.272 20 30 CGEDLO N#CCCC[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846920473 636283155 /nfs/dbraw/zinc/28/31/55/636283155.db2.gz IQKGZTSXFBFFOK-AWEZNQCLSA-N 1 2 272.377 3.063 20 30 CGEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019136 636312915 /nfs/dbraw/zinc/31/29/15/636312915.db2.gz OZMOZTCPYKEFDZ-KGLIPLIRSA-N 1 2 281.359 3.143 20 30 CGEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019136 636312918 /nfs/dbraw/zinc/31/29/18/636312918.db2.gz OZMOZTCPYKEFDZ-KGLIPLIRSA-N 1 2 281.359 3.143 20 30 CGEDLO CC(C)C[C@H]1CCCC(N=NCCCn2cc[nH+]c2)C1 ZINC000848417131 636571305 /nfs/dbraw/zinc/57/13/05/636571305.db2.gz MESBZECNXGLPCF-OAHLLOKOSA-N 1 2 276.428 3.455 20 30 CGEDLO c1cn(CCCNN=C2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000848416228 636571540 /nfs/dbraw/zinc/57/15/40/636571540.db2.gz CZKUKXGUJSVGNE-MRXNPFEDSA-N 1 2 282.391 3.187 20 30 CGEDLO CCCCCCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[nH]1 ZINC000848924525 636697304 /nfs/dbraw/zinc/69/73/04/636697304.db2.gz UTJIYDQIHPQTKL-KGLIPLIRSA-N 1 2 294.443 3.495 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCCOC(C)(C)C)c1 ZINC000849171809 636762993 /nfs/dbraw/zinc/76/29/93/636762993.db2.gz GINQKLJMSTWEQA-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1 ZINC000133158029 636878173 /nfs/dbraw/zinc/87/81/73/636878173.db2.gz YLTQDELLXXINDM-JXMROGBWSA-N 1 2 278.311 3.239 20 30 CGEDLO C=C(Br)C[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000134493530 637024202 /nfs/dbraw/zinc/02/42/02/637024202.db2.gz XTXPTENOQQUXIP-CQSZACIVSA-N 1 2 298.224 3.168 20 30 CGEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C[C@H](O)CC ZINC000134493530 637024209 /nfs/dbraw/zinc/02/42/09/637024209.db2.gz XTXPTENOQQUXIP-CQSZACIVSA-N 1 2 298.224 3.168 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000852099154 637591965 /nfs/dbraw/zinc/59/19/65/637591965.db2.gz FTSOLRYYXZGTQG-IINYFYTJSA-N 1 2 275.377 3.251 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000852098401 637592790 /nfs/dbraw/zinc/59/27/90/637592790.db2.gz LYPMMWYRWWHWOF-QGZVFWFLSA-N 1 2 299.374 3.027 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000852101667 637595402 /nfs/dbraw/zinc/59/54/02/637595402.db2.gz GHPMKYZFXPCPEK-CXAGYDPISA-N 1 2 283.375 3.113 20 30 CGEDLO C=C(Br)C[NH+]1CCC(c2ccco2)CC1 ZINC000852324182 637634526 /nfs/dbraw/zinc/63/45/26/637634526.db2.gz REIKZNGPICTSRH-UHFFFAOYSA-N 1 2 270.170 3.368 20 30 CGEDLO CC(C)SCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333397 637636330 /nfs/dbraw/zinc/63/63/30/637636330.db2.gz LIJCVPNCJNPREX-INIZCTEOSA-N 1 2 289.448 3.080 20 30 CGEDLO CC(C)SCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333397 637636336 /nfs/dbraw/zinc/63/63/36/637636336.db2.gz LIJCVPNCJNPREX-INIZCTEOSA-N 1 2 289.448 3.080 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCCSC ZINC000853352609 637822387 /nfs/dbraw/zinc/82/23/87/637822387.db2.gz BKZNJDNSWXKCTH-UHFFFAOYSA-N 1 2 278.421 3.429 20 30 CGEDLO O=C1C=C([NH2+]Nc2cc(F)cc(Cl)c2)[C@H]2CCCCN12 ZINC000853395791 637835168 /nfs/dbraw/zinc/83/51/68/637835168.db2.gz LNEPCRDBIHHCTO-CYBMUJFWSA-N 1 2 295.745 3.032 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)SC ZINC000853396985 637835865 /nfs/dbraw/zinc/83/58/65/637835865.db2.gz KMFMPPDZTSRERS-UHFFFAOYSA-N 1 2 278.421 3.427 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000853525755 637861834 /nfs/dbraw/zinc/86/18/34/637861834.db2.gz ZSVQZSJTAYEFJV-CYBMUJFWSA-N 1 2 286.404 3.195 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000853525755 637861838 /nfs/dbraw/zinc/86/18/38/637861838.db2.gz ZSVQZSJTAYEFJV-CYBMUJFWSA-N 1 2 286.404 3.195 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C3CC3)n(C)c2=S)C1 ZINC000853536724 637864301 /nfs/dbraw/zinc/86/43/01/637864301.db2.gz WCVVTCUJWLMJLN-LBPRGKRZSA-N 1 2 292.452 3.074 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C3CC3)n(C)c2=S)C1 ZINC000853536724 637864304 /nfs/dbraw/zinc/86/43/04/637864304.db2.gz WCVVTCUJWLMJLN-LBPRGKRZSA-N 1 2 292.452 3.074 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC1(COC)CC1 ZINC000853709289 637897996 /nfs/dbraw/zinc/89/79/96/637897996.db2.gz YBOKHMQIASJUOS-UHFFFAOYSA-N 1 2 288.391 3.102 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H]1CC1(F)F ZINC000856778104 638386909 /nfs/dbraw/zinc/38/69/09/638386909.db2.gz HPBLOVDIVNWXPW-LBPRGKRZSA-N 1 2 280.318 3.331 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858383048 638698479 /nfs/dbraw/zinc/69/84/79/638698479.db2.gz VLWOFRZQOJECEU-GFCCVEGCSA-N 1 2 275.783 3.490 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc(C#N)c1O ZINC000926322154 638763029 /nfs/dbraw/zinc/76/30/29/638763029.db2.gz DKVFQWSPQRWTMQ-BXUZGUMPSA-N 1 2 276.405 3.058 20 30 CGEDLO CC[C@H]([NH2+]C1CCC(OC)CC1)c1cccc(C#N)c1O ZINC000926570556 638786508 /nfs/dbraw/zinc/78/65/08/638786508.db2.gz LSQSXZRXCPKYTH-XUJLQICISA-N 1 2 288.391 3.262 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ncco1 ZINC000926602731 638790675 /nfs/dbraw/zinc/79/06/75/638790675.db2.gz NVOKTXFZSFGHFK-NHYWBVRUSA-N 1 2 267.332 3.274 20 30 CGEDLO N#CC1(CCCC[N@@H+]2CCO[C@H](C(F)(F)F)C2)CCC1 ZINC000929694617 638941849 /nfs/dbraw/zinc/94/18/49/638941849.db2.gz UYDNOIFSGPSMBW-LBPRGKRZSA-N 1 2 290.329 3.114 20 30 CGEDLO N#CC1(CCCC[N@H+]2CCO[C@H](C(F)(F)F)C2)CCC1 ZINC000929694617 638941850 /nfs/dbraw/zinc/94/18/50/638941850.db2.gz UYDNOIFSGPSMBW-LBPRGKRZSA-N 1 2 290.329 3.114 20 30 CGEDLO C#CC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858599696 638999754 /nfs/dbraw/zinc/99/97/54/638999754.db2.gz NRSWISHIXFUBNP-CQSZACIVSA-N 1 2 250.345 3.475 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000930533099 639019563 /nfs/dbraw/zinc/01/95/63/639019563.db2.gz FTPLMMAAGKGAPL-UONOGXRCSA-N 1 2 277.412 3.016 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000931693106 639189981 /nfs/dbraw/zinc/18/99/81/639189981.db2.gz UXTJBIILEBSRJD-UHFFFAOYSA-N 1 2 298.777 3.171 20 30 CGEDLO COc1cccc(SCC[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932151076 639276731 /nfs/dbraw/zinc/27/67/31/639276731.db2.gz HCDINBZUOZHVET-ZDUSSCGKSA-N 1 2 276.405 3.023 20 30 CGEDLO COc1cccc(SCC[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932151076 639276737 /nfs/dbraw/zinc/27/67/37/639276737.db2.gz HCDINBZUOZHVET-ZDUSSCGKSA-N 1 2 276.405 3.023 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000932157156 639277886 /nfs/dbraw/zinc/27/78/86/639277886.db2.gz WAETWQUUHLMZGP-GFCCVEGCSA-N 1 2 266.291 3.024 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000932157156 639277891 /nfs/dbraw/zinc/27/78/91/639277891.db2.gz WAETWQUUHLMZGP-GFCCVEGCSA-N 1 2 266.291 3.024 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708981 639480849 /nfs/dbraw/zinc/48/08/49/639480849.db2.gz CHOZCBDTVJCTQY-SECBINFHSA-N 1 2 291.704 3.037 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708981 639480854 /nfs/dbraw/zinc/48/08/54/639480854.db2.gz CHOZCBDTVJCTQY-SECBINFHSA-N 1 2 291.704 3.037 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465044 639613697 /nfs/dbraw/zinc/61/36/97/639613697.db2.gz BXUMJSZAEXQJGL-ZYHUDNBSSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465044 639613708 /nfs/dbraw/zinc/61/37/08/639613708.db2.gz BXUMJSZAEXQJGL-ZYHUDNBSSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC1(CC(=O)NCc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000934797944 639678150 /nfs/dbraw/zinc/67/81/50/639678150.db2.gz AUEDGCWDQJXTMY-UHFFFAOYSA-N 1 2 297.402 3.477 20 30 CGEDLO C=CC1(CC(=O)N(C)CCCn2cc[nH+]c2)CCCCC1 ZINC000934912911 639709818 /nfs/dbraw/zinc/70/98/18/639709818.db2.gz QUCJUZOLXYUNNF-UHFFFAOYSA-N 1 2 289.423 3.258 20 30 CGEDLO CCC[N@H+](CCCOc1ccc(C#N)cc1)CC(F)F ZINC000194886578 640558478 /nfs/dbraw/zinc/55/84/78/640558478.db2.gz GROAQKGQETUQBM-UHFFFAOYSA-N 1 2 282.334 3.304 20 30 CGEDLO CCC[N@@H+](CCCOc1ccc(C#N)cc1)CC(F)F ZINC000194886578 640558486 /nfs/dbraw/zinc/55/84/86/640558486.db2.gz GROAQKGQETUQBM-UHFFFAOYSA-N 1 2 282.334 3.304 20 30 CGEDLO COc1ccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)c(C#N)c1 ZINC001250668940 805752132 /nfs/dbraw/zinc/75/21/32/805752132.db2.gz CDFDSJVDJGHITQ-UHFFFAOYSA-N 1 2 292.342 3.176 20 30 CGEDLO CCCN(CCC)c1cc(NCCCCC#N)[nH+]cn1 ZINC001157641136 805843757 /nfs/dbraw/zinc/84/37/57/805843757.db2.gz MDXOZQKCKYLKCA-UHFFFAOYSA-N 1 2 275.400 3.209 20 30 CGEDLO CCCN(CCC)c1cc(NCCCCC#N)nc[nH+]1 ZINC001157641136 805843770 /nfs/dbraw/zinc/84/37/70/805843770.db2.gz MDXOZQKCKYLKCA-UHFFFAOYSA-N 1 2 275.400 3.209 20 30 CGEDLO C[C@](C#N)(Nc1cc(N)cc[nH+]1)c1ccccc1Cl ZINC001158475728 805959474 /nfs/dbraw/zinc/95/94/74/805959474.db2.gz FCZVDNASAICTTJ-CQSZACIVSA-N 1 2 272.739 3.168 20 30 CGEDLO COc1cc(C)c[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001158785305 806003005 /nfs/dbraw/zinc/00/30/05/806003005.db2.gz PYSKPVINHCWJGZ-UHFFFAOYSA-N 1 2 271.364 3.427 20 30 CGEDLO C=CCC[C@@H](O)CNc1cc(C)c(Br)c(C)[nH+]1 ZINC001252588031 806078288 /nfs/dbraw/zinc/07/82/88/806078288.db2.gz ZRHKPRZMCRQNAU-LLVKDONJSA-N 1 2 299.212 3.200 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001253248637 806195543 /nfs/dbraw/zinc/19/55/43/806195543.db2.gz YVEAWXNYDRRABG-XHSDSOJGSA-N 1 2 299.455 3.051 20 30 CGEDLO COC(=O)c1cccc([C@H](C)Nc2cc(CC#N)cc[nH+]2)c1 ZINC001159959348 806205433 /nfs/dbraw/zinc/20/54/33/806205433.db2.gz RCERWVFJWRDTJQ-LBPRGKRZSA-N 1 2 295.342 3.107 20 30 CGEDLO Cc1nc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)ccc1F ZINC001160018855 806213362 /nfs/dbraw/zinc/21/33/62/806213362.db2.gz IZWRYJTXIZLLCP-UHFFFAOYSA-N 1 2 295.317 3.425 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001255154461 806555222 /nfs/dbraw/zinc/55/52/22/806555222.db2.gz HVIKDDYMSMMORB-VIFPVBQESA-N 1 2 258.699 3.400 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001255156779 806558554 /nfs/dbraw/zinc/55/85/54/806558554.db2.gz NMOSANMSDXVCSS-STQMWFEESA-N 1 2 287.190 3.309 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(F)c1OC ZINC001255164969 806562595 /nfs/dbraw/zinc/56/25/95/806562595.db2.gz RDGKFSDSKQLGHL-WDEREUQCSA-N 1 2 250.317 3.177 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255529877 806664786 /nfs/dbraw/zinc/66/47/86/806664786.db2.gz UZVKABPXWFIPJT-OAHLLOKOSA-N 1 2 299.455 3.437 20 30 CGEDLO C#CCCC1(CCNc2cc(C)[nH+]c(C(C)C)n2)N=N1 ZINC001163380966 806755345 /nfs/dbraw/zinc/75/53/45/806755345.db2.gz MNKKCQNHJWYWKQ-UHFFFAOYSA-N 1 2 271.368 3.286 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1C)C(=O)OCC ZINC001255852820 806768986 /nfs/dbraw/zinc/76/89/86/806768986.db2.gz DPBIHSJBPSALKI-GOEBONIOSA-N 1 2 275.392 3.023 20 30 CGEDLO Cc1nc(C)c(C[N@@H+](CCC#N)CC(C)C)s1 ZINC000685995764 799731160 /nfs/dbraw/zinc/73/11/60/799731160.db2.gz HMHWLEVFAOILBM-UHFFFAOYSA-N 1 2 251.399 3.132 20 30 CGEDLO Cc1nc(C)c(C[N@H+](CCC#N)CC(C)C)s1 ZINC000685995764 799731166 /nfs/dbraw/zinc/73/11/66/799731166.db2.gz HMHWLEVFAOILBM-UHFFFAOYSA-N 1 2 251.399 3.132 20 30 CGEDLO COc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1 ZINC001163673547 806798504 /nfs/dbraw/zinc/79/85/04/806798504.db2.gz AGSDUAPAHTUUKY-UHFFFAOYSA-N 1 2 295.264 3.146 20 30 CGEDLO Cc1cc(C)cc(CNc2[nH+]cccc2CC#N)c1 ZINC001163748835 806817315 /nfs/dbraw/zinc/81/73/15/806817315.db2.gz GXJALGBHELFCLG-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)c1 ZINC000721443641 800289724 /nfs/dbraw/zinc/28/97/24/800289724.db2.gz YBTBHDDJASGQDU-LBPRGKRZSA-N 1 2 286.322 3.038 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)c1 ZINC000721443641 800289726 /nfs/dbraw/zinc/28/97/26/800289726.db2.gz YBTBHDDJASGQDU-LBPRGKRZSA-N 1 2 286.322 3.038 20 30 CGEDLO COc1cccc(/C=[NH+]\CCCC2CCOCC2)c1O ZINC000840707149 800497996 /nfs/dbraw/zinc/49/79/96/800497996.db2.gz NUPORZCZOSMVMK-ATVHPVEESA-N 1 2 277.364 3.027 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024318222 800724139 /nfs/dbraw/zinc/72/41/39/800724139.db2.gz BAESARISNNFUQG-ZDUSSCGKSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024318222 800724145 /nfs/dbraw/zinc/72/41/45/800724145.db2.gz BAESARISNNFUQG-ZDUSSCGKSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071803754 801555167 /nfs/dbraw/zinc/55/51/67/801555167.db2.gz QSABZTVIIWOKOD-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071803754 801555170 /nfs/dbraw/zinc/55/51/70/801555170.db2.gz QSABZTVIIWOKOD-ZIAGYGMSSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109631464 802121116 /nfs/dbraw/zinc/12/11/16/802121116.db2.gz CHXFXIDXSIBVIW-RZFFKMDDSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109631464 802121121 /nfs/dbraw/zinc/12/11/21/802121121.db2.gz CHXFXIDXSIBVIW-RZFFKMDDSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CCCC(=O)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001112687842 802184225 /nfs/dbraw/zinc/18/42/25/802184225.db2.gz VNALZVLPDPJJGY-UHFFFAOYSA-N 1 2 298.386 3.043 20 30 CGEDLO C=CC(C)(C)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001120678126 802760397 /nfs/dbraw/zinc/76/03/97/802760397.db2.gz AFZSZGRLMIGXPM-CQSZACIVSA-N 1 2 292.810 3.025 20 30 CGEDLO CCc1cc(Nc2ccc(N)[nH+]c2)cc(CC)c1C#N ZINC001201291194 811809268 /nfs/dbraw/zinc/80/92/68/811809268.db2.gz FMOOQQYAWWANHD-UHFFFAOYSA-N 1 2 266.348 3.404 20 30 CGEDLO Cc1cc(F)ncc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243761645 802987070 /nfs/dbraw/zinc/98/70/70/802987070.db2.gz IRVCEJGTSJFAKL-KEBDBYFISA-N 1 2 282.322 3.289 20 30 CGEDLO N#Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)c(N)c1 ZINC001244090244 803179017 /nfs/dbraw/zinc/17/90/17/803179017.db2.gz TWYGYYLWWGJHFX-UHFFFAOYSA-N 1 2 274.327 3.052 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132325938 803394741 /nfs/dbraw/zinc/39/47/41/803394741.db2.gz AKUPYNOUVNDGOS-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132325938 803394746 /nfs/dbraw/zinc/39/47/46/803394746.db2.gz AKUPYNOUVNDGOS-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO Cc1ccc2[nH+]cc(CN(CC#N)Cc3ccccc3)n2c1 ZINC001137309973 803712927 /nfs/dbraw/zinc/71/29/27/803712927.db2.gz BORGMKOCPKAVKG-UHFFFAOYSA-N 1 2 290.370 3.169 20 30 CGEDLO Cc1cc(-c2cc(C#C[Si](C)(C)C)ccn2)c[nH+]c1N ZINC001245537949 803796362 /nfs/dbraw/zinc/79/63/62/803796362.db2.gz MIFZWYQAJMVHEQ-UHFFFAOYSA-N 1 2 281.435 3.263 20 30 CGEDLO Nc1ccccc1C(NO)=[NH+]c1cc(Cl)nc(Cl)c1 ZINC001212099105 814976484 /nfs/dbraw/zinc/97/64/84/814976484.db2.gz ANXOAYCMLBCSPC-UHFFFAOYSA-N 1 2 297.145 3.028 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692186 804255854 /nfs/dbraw/zinc/25/58/54/804255854.db2.gz QHKLGEOSFASOHX-GFCCVEGCSA-N 1 2 258.752 3.057 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139692186 804255859 /nfs/dbraw/zinc/25/58/59/804255859.db2.gz QHKLGEOSFASOHX-GFCCVEGCSA-N 1 2 258.752 3.057 20 30 CGEDLO CC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691594 804256713 /nfs/dbraw/zinc/25/67/13/804256713.db2.gz AICJBUSIBUDVSZ-LBPRGKRZSA-N 1 2 276.767 3.013 20 30 CGEDLO CC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139691594 804256715 /nfs/dbraw/zinc/25/67/15/804256715.db2.gz AICJBUSIBUDVSZ-LBPRGKRZSA-N 1 2 276.767 3.013 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1C#N ZINC001139722798 804268122 /nfs/dbraw/zinc/26/81/22/804268122.db2.gz GLIDKYRSVHNXQX-LSDHHAIUSA-N 1 2 264.319 3.139 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1C#N ZINC001139722798 804268132 /nfs/dbraw/zinc/26/81/32/804268132.db2.gz GLIDKYRSVHNXQX-LSDHHAIUSA-N 1 2 264.319 3.139 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(O)ccc1F ZINC001140052057 804359947 /nfs/dbraw/zinc/35/99/47/804359947.db2.gz DEYFZSGXFDJFEU-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)ccc1F ZINC001140052057 804359956 /nfs/dbraw/zinc/35/99/56/804359956.db2.gz DEYFZSGXFDJFEU-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972310 804683138 /nfs/dbraw/zinc/68/31/38/804683138.db2.gz GLAJEIFKLJNVTF-OAHLLOKOSA-N 1 2 297.423 3.369 20 30 CGEDLO C[C@@H]1COCC[N@H+]1Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972310 804683139 /nfs/dbraw/zinc/68/31/39/804683139.db2.gz GLAJEIFKLJNVTF-OAHLLOKOSA-N 1 2 297.423 3.369 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3C[C@H]4[C@H](CC4(F)F)C3)c2c1 ZINC001165295137 806989537 /nfs/dbraw/zinc/98/95/37/806989537.db2.gz SQJYBMAKTARRGW-OCCSQVGLSA-N 1 2 285.297 3.198 20 30 CGEDLO Cc1ccc(C(F)(F)F)c(C[N@H+](C)CCC#N)c1 ZINC001143671178 804881774 /nfs/dbraw/zinc/88/17/74/804881774.db2.gz XKUOCEFIIQDQOP-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO Cc1ccc(C(F)(F)F)c(C[N@@H+](C)CCC#N)c1 ZINC001143671178 804881779 /nfs/dbraw/zinc/88/17/79/804881779.db2.gz XKUOCEFIIQDQOP-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730934 804889721 /nfs/dbraw/zinc/88/97/21/804889721.db2.gz HBIKJDPLLCMUFF-LBPRGKRZSA-N 1 2 258.752 3.057 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730934 804889730 /nfs/dbraw/zinc/88/97/30/804889730.db2.gz HBIKJDPLLCMUFF-LBPRGKRZSA-N 1 2 258.752 3.057 20 30 CGEDLO C=C(Cc1ccccc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144388960 804980024 /nfs/dbraw/zinc/98/00/24/804980024.db2.gz XCHJGDKSEIRBRF-UHFFFAOYSA-N 1 2 277.327 3.072 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429624 805148188 /nfs/dbraw/zinc/14/81/88/805148188.db2.gz JREYMXJJVDXVSN-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429624 805148193 /nfs/dbraw/zinc/14/81/93/805148193.db2.gz JREYMXJJVDXVSN-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cc(C)ccc1C#N ZINC001249901169 805290277 /nfs/dbraw/zinc/29/02/77/805290277.db2.gz GEMMJHYUWXDOGG-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO C=CC[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001154528341 805461358 /nfs/dbraw/zinc/46/13/58/805461358.db2.gz SAXCATWEHBVKHR-OAHLLOKOSA-N 1 2 291.354 3.382 20 30 CGEDLO Cc1cc(Cl)c(C)c(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC001166743800 807091280 /nfs/dbraw/zinc/09/12/80/807091280.db2.gz YXCLYDLPQGWDSI-LBPRGKRZSA-N 1 2 263.772 3.482 20 30 CGEDLO CN(Cc1ccsc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166828613 807108055 /nfs/dbraw/zinc/10/80/55/807108055.db2.gz ASIXFDQQVOSQOK-UHFFFAOYSA-N 1 2 268.345 3.132 20 30 CGEDLO C#C[C@@H]1CCCN(c2ccc3cc(OC)c(OC)cc3[nH+]2)C1 ZINC001167004985 807126367 /nfs/dbraw/zinc/12/63/67/807126367.db2.gz DJFHUADYAJPJKY-CYBMUJFWSA-N 1 2 296.370 3.102 20 30 CGEDLO CCCC[C@@H](CC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257418466 807145846 /nfs/dbraw/zinc/14/58/46/807145846.db2.gz DKMIPSBJGNMVDG-CHWSQXEVSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC[C@@H](CC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257418466 807145851 /nfs/dbraw/zinc/14/58/51/807145851.db2.gz DKMIPSBJGNMVDG-CHWSQXEVSA-N 1 2 253.411 3.229 20 30 CGEDLO Cn1c[nH+]c2ccc(NCCc3ccc(C#N)cc3)cc21 ZINC001167679616 807225785 /nfs/dbraw/zinc/22/57/85/807225785.db2.gz WSVKRNLKIGKZOU-UHFFFAOYSA-N 1 2 276.343 3.100 20 30 CGEDLO C=C1C[C@@H]2CC([N@@H+]3CCn4c(nnc4C4CC4)C3)C[C@H](C1)C2 ZINC001257893155 807242208 /nfs/dbraw/zinc/24/22/08/807242208.db2.gz MLGDIBNAOGOMDZ-MZBDJJRSSA-N 1 2 298.434 3.106 20 30 CGEDLO C=C1C[C@@H]2CC([N@H+]3CCn4c(nnc4C4CC4)C3)C[C@H](C1)C2 ZINC001257893155 807242213 /nfs/dbraw/zinc/24/22/13/807242213.db2.gz MLGDIBNAOGOMDZ-MZBDJJRSSA-N 1 2 298.434 3.106 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)CC1 ZINC001167844413 807261046 /nfs/dbraw/zinc/26/10/46/807261046.db2.gz OEQFSHKXUYHRPM-MQMHXKEQSA-N 1 2 266.348 3.131 20 30 CGEDLO Cc1cc2cc(N[C@H]3CC[C@H](C#N)CC3)[nH+]cc2[nH]1 ZINC001167842389 807261094 /nfs/dbraw/zinc/26/10/94/807261094.db2.gz IUVVDSVGZRUFJL-AULYBMBSSA-N 1 2 254.337 3.366 20 30 CGEDLO Cc1coc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212695589 815105046 /nfs/dbraw/zinc/10/50/46/815105046.db2.gz MRCHDWAFARJQLU-UHFFFAOYSA-N 1 2 278.315 3.448 20 30 CGEDLO C=C(C)C(=O)OCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001168071401 807304597 /nfs/dbraw/zinc/30/45/97/807304597.db2.gz YXYNTBJMZXEPIZ-UHFFFAOYSA-N 1 2 291.395 3.255 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168087442 807308243 /nfs/dbraw/zinc/30/82/43/807308243.db2.gz LLKZGQPCZSPYKV-GJZGRUSLSA-N 1 2 285.428 3.047 20 30 CGEDLO CCCCCCCCC[C@@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001258229674 807376190 /nfs/dbraw/zinc/37/61/90/807376190.db2.gz UHOJLHXNNVBPJG-NVXWUHKLSA-N 1 2 299.455 3.437 20 30 CGEDLO CCCCCCCCC[C@@H](C)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001258227571 807377121 /nfs/dbraw/zinc/37/71/21/807377121.db2.gz DVWUMXXHFGRTOF-KFWWJZLASA-N 1 2 287.444 3.028 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC(C3CC3)C3CC3)c2)CC1 ZINC001168743313 807502698 /nfs/dbraw/zinc/50/26/98/807502698.db2.gz BFSIJBXBRONWSR-UHFFFAOYSA-N 1 2 253.349 3.237 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](CCCC)Cc1ccccc1)C(=O)OC ZINC001258706614 807561865 /nfs/dbraw/zinc/56/18/65/807561865.db2.gz UDPKRPFCJXFUIW-IRXDYDNUSA-N 1 2 289.419 3.495 20 30 CGEDLO C#C[C@](C)(CC)Nc1cc(N2CCCC2)[nH+]c(SC)n1 ZINC001169691940 807687989 /nfs/dbraw/zinc/68/79/89/807687989.db2.gz ILGZAVPTCXNCOL-OAHLLOKOSA-N 1 2 290.436 3.013 20 30 CGEDLO C#C[C@@](C)(CC)Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001169700507 807691414 /nfs/dbraw/zinc/69/14/14/807691414.db2.gz PZSYOTSDGAWZDM-KRWDZBQOSA-N 1 2 281.359 3.269 20 30 CGEDLO COc1ccc2c(c1)C[C@H](Nc1[nH+]cccc1CC#N)CC2 ZINC001170409306 807836871 /nfs/dbraw/zinc/83/68/71/807836871.db2.gz KVJWSXHLGFSMIT-MRXNPFEDSA-N 1 2 293.370 3.126 20 30 CGEDLO CN(C)c1cc(Cl)[nH+]c(NCC#Cc2ccccc2)c1 ZINC001170423969 807839355 /nfs/dbraw/zinc/83/93/55/807839355.db2.gz MCISBDDGGFJGFG-UHFFFAOYSA-N 1 2 285.778 3.265 20 30 CGEDLO C=C(C)CCC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC001262620714 807879425 /nfs/dbraw/zinc/87/94/25/807879425.db2.gz NULOUXMFBVVLEG-UHFFFAOYSA-N 1 2 277.412 3.040 20 30 CGEDLO Cc1cccnc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171176309 808000764 /nfs/dbraw/zinc/00/07/64/808000764.db2.gz MRRMBMKZBUMHBJ-UHFFFAOYSA-N 1 2 277.327 3.286 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548215 808090088 /nfs/dbraw/zinc/09/00/88/808090088.db2.gz WMLQBLMEJMVZSQ-ZBEGNZNMSA-N 1 2 294.320 3.197 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548215 808090095 /nfs/dbraw/zinc/09/00/95/808090095.db2.gz WMLQBLMEJMVZSQ-ZBEGNZNMSA-N 1 2 294.320 3.197 20 30 CGEDLO CC(C)(C)OC(=O)C1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001171912029 808154273 /nfs/dbraw/zinc/15/42/73/808154273.db2.gz KKPITXZUGYEQOZ-UHFFFAOYSA-N 1 2 292.423 3.313 20 30 CGEDLO CC(C)COCC[C@@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172458821 808329945 /nfs/dbraw/zinc/32/99/45/808329945.db2.gz BTBUYMBVFABRHW-CQSZACIVSA-N 1 2 252.402 3.254 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172554697 808382232 /nfs/dbraw/zinc/38/22/32/808382232.db2.gz ZWYRGSGJZBNOFV-PMPSAXMXSA-N 1 2 273.376 3.030 20 30 CGEDLO C=CCC1(C(=O)NCC[N@@H+](C)CC(=C)Cl)CCCCC1 ZINC001267231121 808389238 /nfs/dbraw/zinc/38/92/38/808389238.db2.gz OUKUZZILMYFZAC-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=CCC1(C(=O)NCC[N@H+](C)CC(=C)Cl)CCCCC1 ZINC001267231121 808389244 /nfs/dbraw/zinc/38/92/44/808389244.db2.gz OUKUZZILMYFZAC-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032550 815206081 /nfs/dbraw/zinc/20/60/81/815206081.db2.gz LGVXYVXLBIAQFB-UHFFFAOYSA-N 1 2 263.304 3.220 20 30 CGEDLO C#Cc1cc(Nc2ccccc2C(F)(F)F)cc[nH+]1 ZINC001173841591 808704671 /nfs/dbraw/zinc/70/46/71/808704671.db2.gz AJEXEYFYDDJLLS-UHFFFAOYSA-N 1 2 262.234 3.247 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)CC(C)(C)C2CCCCC2)C1 ZINC001269875394 808708086 /nfs/dbraw/zinc/70/80/86/808708086.db2.gz KOYUXQKWQPMJTL-UHFFFAOYSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001276376638 809005784 /nfs/dbraw/zinc/00/57/84/809005784.db2.gz NQHHBOWCPCLQKR-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO CC(C)c1cccc(Nc2ccc(C#N)cc2N)[nH+]1 ZINC001213349871 815267785 /nfs/dbraw/zinc/26/77/85/815267785.db2.gz UPMLTJBESUOMMA-UHFFFAOYSA-N 1 2 252.321 3.402 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001282410954 809247298 /nfs/dbraw/zinc/24/72/98/809247298.db2.gz GOUODNLVGJEAMH-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001282410954 809247302 /nfs/dbraw/zinc/24/73/02/809247302.db2.gz GOUODNLVGJEAMH-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO N#Cc1cc(Nc2[nH+]ccc3ccccc32)ccc1N ZINC001213427483 815280647 /nfs/dbraw/zinc/28/06/47/815280647.db2.gz ZNWCWOARJOIANV-UHFFFAOYSA-N 1 2 260.300 3.432 20 30 CGEDLO C#Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351496 809374612 /nfs/dbraw/zinc/37/46/12/809374612.db2.gz NWAIWMBQNAKLBF-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO N#Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175712010 809517423 /nfs/dbraw/zinc/51/74/23/809517423.db2.gz FPJZGGNJPQNKPO-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC001176390431 809684081 /nfs/dbraw/zinc/68/40/81/809684081.db2.gz KGTGAGGRGRKQJX-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCOC[C@H]2CC2CC2)cc1 ZINC001176390431 809684085 /nfs/dbraw/zinc/68/40/85/809684085.db2.gz KGTGAGGRGRKQJX-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO N#CCc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176751204 809757768 /nfs/dbraw/zinc/75/77/68/809757768.db2.gz YQGCUUPGKHOHSE-UHFFFAOYSA-N 1 2 278.359 3.491 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)CCc1ccco1)C(=O)OCC ZINC001181829207 810075584 /nfs/dbraw/zinc/07/55/84/810075584.db2.gz XTDPUKHEPCHESL-UKRRQHHQSA-N 1 2 279.380 3.088 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc(F)cc1 ZINC001182019682 810090189 /nfs/dbraw/zinc/09/01/89/810090189.db2.gz AYGJRSDGZZQNTH-MRXNPFEDSA-N 1 2 291.329 3.233 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc2ccccc2n1)c1ccc(F)cc1 ZINC001182019681 810090220 /nfs/dbraw/zinc/09/02/20/810090220.db2.gz AYGJRSDGZZQNTH-INIZCTEOSA-N 1 2 291.329 3.233 20 30 CGEDLO C=C(C)Cc1ccc(C(=O)NCCOc2cc[nH+]cc2)cc1 ZINC001190239685 810615066 /nfs/dbraw/zinc/61/50/66/810615066.db2.gz WJPUXOUXPFKGFP-UHFFFAOYSA-N 1 2 296.370 3.009 20 30 CGEDLO COCC#CC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC001190589025 810635137 /nfs/dbraw/zinc/63/51/37/810635137.db2.gz JJXFRHSSWHEFGC-UHFFFAOYSA-N 1 2 297.373 3.478 20 30 CGEDLO COCC#CC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC001190589025 810635145 /nfs/dbraw/zinc/63/51/45/810635145.db2.gz JJXFRHSSWHEFGC-UHFFFAOYSA-N 1 2 297.373 3.478 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1cscc1Br ZINC001198525073 811511220 /nfs/dbraw/zinc/51/12/20/811511220.db2.gz KCTMHPFMKUYBLZ-NSHDSACASA-N 1 2 284.222 3.498 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cscc1Br ZINC001198525073 811511224 /nfs/dbraw/zinc/51/12/24/811511224.db2.gz KCTMHPFMKUYBLZ-NSHDSACASA-N 1 2 284.222 3.498 20 30 CGEDLO N#Cc1c(Nc2ccc(N)[nH+]c2)sc2c1CCCC2 ZINC001201271797 811805378 /nfs/dbraw/zinc/80/53/78/811805378.db2.gz CZJLQCUDNKDKAD-UHFFFAOYSA-N 1 2 270.361 3.219 20 30 CGEDLO N#Cc1cnoc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717900 812440536 /nfs/dbraw/zinc/44/05/36/812440536.db2.gz OGNGSYRPCZJDJD-UHFFFAOYSA-N 1 2 268.320 3.280 20 30 CGEDLO CCc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1 ZINC001204179097 812568366 /nfs/dbraw/zinc/56/83/66/812568366.db2.gz IFIUIDGHOKHRCW-UHFFFAOYSA-N 1 2 292.382 3.384 20 30 CGEDLO COc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)ccc1F ZINC001204556739 812676655 /nfs/dbraw/zinc/67/66/55/812676655.db2.gz LEROKRAMKOVDAC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)ccc1F ZINC001204556739 812676658 /nfs/dbraw/zinc/67/66/58/812676658.db2.gz LEROKRAMKOVDAC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001205840953 813104508 /nfs/dbraw/zinc/10/45/08/813104508.db2.gz NUBIIZZJXHJXKD-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cncc(F)c2)CC1 ZINC001207017492 813465895 /nfs/dbraw/zinc/46/58/95/813465895.db2.gz YOWBYDUHSJBZHP-UHFFFAOYSA-N 1 2 295.361 3.278 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1C[C@@H](OC)C1(CC)CC)C(=O)OCC ZINC001207342124 813545438 /nfs/dbraw/zinc/54/54/38/813545438.db2.gz XQGICHALAFBABT-SOUVJXGZSA-N 1 2 297.439 3.068 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCCc3ccccc3)CC[C@H]2S1 ZINC001207613012 813613775 /nfs/dbraw/zinc/61/37/75/813613775.db2.gz GHNOBSZQGZGTOT-MRXNPFEDSA-N 1 2 287.428 3.283 20 30 CGEDLO O=C1C=C2C[N@H+](CCCCc3ccccc3)CC[C@H]2S1 ZINC001207613012 813613777 /nfs/dbraw/zinc/61/37/77/813613777.db2.gz GHNOBSZQGZGTOT-MRXNPFEDSA-N 1 2 287.428 3.283 20 30 CGEDLO CCC(=O)C(C)(C)C[N@H+](CCC#N)Cc1ccccc1 ZINC001208916086 813897214 /nfs/dbraw/zinc/89/72/14/813897214.db2.gz OHGISTNDXAVZAU-UHFFFAOYSA-N 1 2 272.392 3.408 20 30 CGEDLO CCC(=O)C(C)(C)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001208916086 813897224 /nfs/dbraw/zinc/89/72/24/813897224.db2.gz OHGISTNDXAVZAU-UHFFFAOYSA-N 1 2 272.392 3.408 20 30 CGEDLO C=CCCCCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001209208343 813968952 /nfs/dbraw/zinc/96/89/52/813968952.db2.gz RETHGCJWQRLUJW-AWEZNQCLSA-N 1 2 272.383 3.148 20 30 CGEDLO CCCC[N@@H+](CC#N)CCCCCNC(=O)OC(C)(C)C ZINC001209375342 814005287 /nfs/dbraw/zinc/00/52/87/814005287.db2.gz LUBTZLYBVLIYGG-UHFFFAOYSA-N 1 2 297.443 3.307 20 30 CGEDLO CCCC[N@H+](CC#N)CCCCCNC(=O)OC(C)(C)C ZINC001209375342 814005291 /nfs/dbraw/zinc/00/52/91/814005291.db2.gz LUBTZLYBVLIYGG-UHFFFAOYSA-N 1 2 297.443 3.307 20 30 CGEDLO Cc1cc(Nc2ccc(C#N)nc2C)ccc1[NH+](C)C ZINC001210042934 814260716 /nfs/dbraw/zinc/26/07/16/814260716.db2.gz POUFRNFIVLJFSG-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO Cc1cc(Nc2ccc([NH+](C)C)c(C)c2)cnc1C#N ZINC001210042511 814260911 /nfs/dbraw/zinc/26/09/11/814260911.db2.gz IIOLVEPNCZLYBZ-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)C1 ZINC001242743783 823119656 /nfs/dbraw/zinc/11/96/56/823119656.db2.gz BDDSXCISIRIFBC-ZGXHQARYSA-N 1 2 281.359 3.162 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc([C@H](C)C#N)cc2)cc1N ZINC001210287963 814382540 /nfs/dbraw/zinc/38/25/40/814382540.db2.gz JLUMKWWFJJOIKU-SNVBAGLBSA-N 1 2 252.321 3.343 20 30 CGEDLO CCc1cc(C#N)ccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288878 814385773 /nfs/dbraw/zinc/38/57/73/814385773.db2.gz XZYCIHZMQDDLSH-UHFFFAOYSA-N 1 2 252.321 3.150 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2cccc(-c3c[nH+]cn3C)c2)C1 ZINC001242744083 823120051 /nfs/dbraw/zinc/12/00/51/823120051.db2.gz HQWUTIMAWVTVRH-LBPRGKRZSA-N 1 2 266.344 3.470 20 30 CGEDLO C#Cc1cc(Nc2c(F)ccc(SC)c2F)cc[nH+]1 ZINC001215837350 815609507 /nfs/dbraw/zinc/60/95/07/815609507.db2.gz PCAHIXADEWBCBL-UHFFFAOYSA-N 1 2 276.311 3.229 20 30 CGEDLO N#Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1O ZINC001210526910 814510263 /nfs/dbraw/zinc/51/02/63/814510263.db2.gz LPFDMRSWNDKLCH-UHFFFAOYSA-N 1 2 284.706 3.309 20 30 CGEDLO COc1cc(Nc2nc(Cl)ccc2C#N)cc(C)[nH+]1 ZINC001210774662 814620460 /nfs/dbraw/zinc/62/04/60/814620460.db2.gz QHOMKZVCEJAYCZ-UHFFFAOYSA-N 1 2 274.711 3.062 20 30 CGEDLO COc1cc(Nc2sc(C)cc2C#N)cc(C)[nH+]1 ZINC001210777606 814622894 /nfs/dbraw/zinc/62/28/94/814622894.db2.gz ZAKUDQANKXCMCD-UHFFFAOYSA-N 1 2 259.334 3.384 20 30 CGEDLO C#Cc1cc(Nc2cc(OC)cc(C(F)(F)F)c2)cc[nH+]1 ZINC001211332979 814879915 /nfs/dbraw/zinc/87/99/15/814879915.db2.gz CNRYRMCJKPONNF-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO CCCCCCCC[C@@H](CC)OC[C@H]([NH3+])C(=O)OC ZINC001217898810 815996014 /nfs/dbraw/zinc/99/60/14/815996014.db2.gz XXRWGMIBAKBRJT-KGLIPLIRSA-N 1 2 273.417 3.033 20 30 CGEDLO CC(C)c1c(C#N)cccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218012423 816051909 /nfs/dbraw/zinc/05/19/09/816051909.db2.gz JRBDLDQOVWOLES-ZDUSSCGKSA-N 1 2 280.318 3.058 20 30 CGEDLO CC#Cc1cncc(-c2cc(F)c(C[NH+](C)C)c(F)c2)c1 ZINC001242941832 823182081 /nfs/dbraw/zinc/18/20/81/823182081.db2.gz CGTQQUZJQBUPLN-UHFFFAOYSA-N 1 2 286.325 3.460 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001221898938 816333120 /nfs/dbraw/zinc/33/31/20/816333120.db2.gz HWTOMLFWRPQYIT-RBSFLKMASA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001221898938 816333127 /nfs/dbraw/zinc/33/31/27/816333127.db2.gz HWTOMLFWRPQYIT-RBSFLKMASA-N 1 2 298.858 3.098 20 30 CGEDLO Cc1cc(C#N)cc(C)c1-c1cc[nH+]c(N(C)C)c1 ZINC001222657210 816492827 /nfs/dbraw/zinc/49/28/27/816492827.db2.gz KQRIDOASISYDNQ-UHFFFAOYSA-N 1 2 251.333 3.303 20 30 CGEDLO Cn1c[nH+]cc1-c1ccccc1C#C[Si](C)(C)C ZINC001243066920 823233969 /nfs/dbraw/zinc/23/39/69/823233969.db2.gz DDKNTTVJEIYVJQ-UHFFFAOYSA-N 1 2 254.409 3.316 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)c[nH]1 ZINC001231574019 818126754 /nfs/dbraw/zinc/12/67/54/818126754.db2.gz HMVJQGCUGWDWDG-CGJHYDBRSA-N 1 2 294.196 3.044 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c[nH]1 ZINC001231574019 818126758 /nfs/dbraw/zinc/12/67/58/818126758.db2.gz HMVJQGCUGWDWDG-CGJHYDBRSA-N 1 2 294.196 3.044 20 30 CGEDLO C#Cc1cccc(C[N@H+]2CCc3ncc(Cl)cc3C2)c1 ZINC001231660356 818152054 /nfs/dbraw/zinc/15/20/54/818152054.db2.gz DFVVYWABNARQMU-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1 ZINC001231660356 818152057 /nfs/dbraw/zinc/15/20/57/818152057.db2.gz DFVVYWABNARQMU-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(N(C)C)cc1OC ZINC001231852026 818188601 /nfs/dbraw/zinc/18/86/01/818188601.db2.gz LACNQLSDAUDHRI-UHFFFAOYSA-N 1 2 289.423 3.277 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1OC ZINC001231852026 818188604 /nfs/dbraw/zinc/18/86/04/818188604.db2.gz LACNQLSDAUDHRI-UHFFFAOYSA-N 1 2 289.423 3.277 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(OC3CCCCC3)nc2)C1 ZINC001231870892 818193185 /nfs/dbraw/zinc/19/31/85/818193185.db2.gz CJSZVLLQUDQQOL-UHFFFAOYSA-N 1 2 285.391 3.139 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cnc(OCC)c(C)c1 ZINC001232309526 818310883 /nfs/dbraw/zinc/31/08/83/818310883.db2.gz QCNXHZCHLWDGBK-UHFFFAOYSA-N 1 2 275.396 3.305 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cnc(OCC)c(C)c1 ZINC001232309526 818310890 /nfs/dbraw/zinc/31/08/90/818310890.db2.gz QCNXHZCHLWDGBK-UHFFFAOYSA-N 1 2 275.396 3.305 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)Cc2ccccc21 ZINC001232673119 818415921 /nfs/dbraw/zinc/41/59/21/818415921.db2.gz AJXCBHBQGRHVPL-CYBMUJFWSA-N 1 2 278.355 3.383 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)Cc2ccccc21 ZINC001232673119 818415928 /nfs/dbraw/zinc/41/59/28/818415928.db2.gz AJXCBHBQGRHVPL-CYBMUJFWSA-N 1 2 278.355 3.383 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001232678500 818417537 /nfs/dbraw/zinc/41/75/37/818417537.db2.gz AXIXLRZNZULFJB-GDBMZVCRSA-N 1 2 270.376 3.418 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001232678500 818417540 /nfs/dbraw/zinc/41/75/40/818417540.db2.gz AXIXLRZNZULFJB-GDBMZVCRSA-N 1 2 270.376 3.418 20 30 CGEDLO C=CC[N@H+](Cc1ccc(F)c(O)c1F)C(C)(C)C ZINC001232939265 818478749 /nfs/dbraw/zinc/47/87/49/818478749.db2.gz IFKPQGIQLVQYAU-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(F)c(O)c1F)C(C)(C)C ZINC001232939265 818478752 /nfs/dbraw/zinc/47/87/52/818478752.db2.gz IFKPQGIQLVQYAU-UHFFFAOYSA-N 1 2 255.308 3.457 20 30 CGEDLO Cc1cc(-c2ccc(C#N)cc2F)cn2cc[nH+]c12 ZINC001236532440 819525101 /nfs/dbraw/zinc/52/51/01/819525101.db2.gz UZVKQQFZHZJEGV-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#Cc1cc(C[NH+]2CC3(C2)CCCC3)c(F)cc1F ZINC001237525743 819772261 /nfs/dbraw/zinc/77/22/61/819772261.db2.gz UNKFYRPPEOGBKC-UHFFFAOYSA-N 1 2 262.303 3.212 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237799693 819843644 /nfs/dbraw/zinc/84/36/44/819843644.db2.gz STGLLWXHWQXYRL-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237799693 819843650 /nfs/dbraw/zinc/84/36/50/819843650.db2.gz STGLLWXHWQXYRL-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO C=CCN1CC[NH+](Cc2cc(C)c(Cl)c(C)c2)CC1 ZINC001238091989 819928838 /nfs/dbraw/zinc/92/88/38/819928838.db2.gz VZOPTXVNCDYGPL-UHFFFAOYSA-N 1 2 278.827 3.260 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(C#N)c2)C[C@@H]1F ZINC001238188998 819950826 /nfs/dbraw/zinc/95/08/26/819950826.db2.gz LPOLBEOMINBEST-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)C[C@@H]1F ZINC001238188998 819950832 /nfs/dbraw/zinc/95/08/32/819950832.db2.gz LPOLBEOMINBEST-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(F)cn1 ZINC001238725128 820103677 /nfs/dbraw/zinc/10/36/77/820103677.db2.gz JLJNWEXYYOGDTE-UHFFFAOYSA-N 1 2 299.349 3.123 20 30 CGEDLO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(F)cn1 ZINC001238725128 820103682 /nfs/dbraw/zinc/10/36/82/820103682.db2.gz JLJNWEXYYOGDTE-UHFFFAOYSA-N 1 2 299.349 3.123 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(C#N)c(F)c1 ZINC001240154680 820863023 /nfs/dbraw/zinc/86/30/23/820863023.db2.gz CNECHPZBYJWFMB-UHFFFAOYSA-N 1 2 267.263 3.249 20 30 CGEDLO N#Cc1ccc(-c2ccc(-c3cc[nH+]c(N)c3)cc2)o1 ZINC001241169975 821614026 /nfs/dbraw/zinc/61/40/26/821614026.db2.gz BLCKAAVVGCNRML-UHFFFAOYSA-N 1 2 261.284 3.462 20 30 CGEDLO COc1cccc(-c2cn3cc[nH+]c3cc2C)c1C#N ZINC001242298551 822943081 /nfs/dbraw/zinc/94/30/81/822943081.db2.gz QUGQDAGLTBEUKI-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1cccnc1C#N ZINC001242310966 822947170 /nfs/dbraw/zinc/94/71/70/822947170.db2.gz HVTIOQZOHFKFRA-UHFFFAOYSA-N 1 2 278.359 3.314 20 30 CGEDLO Cc1cc(C#N)ccc1-c1c[nH+]c(N2CCOCC2)cc1C ZINC001242473292 823004381 /nfs/dbraw/zinc/00/43/81/823004381.db2.gz VZAGRQRGIQUQKR-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO Cc1c(-c2ccc(F)cc2C#N)ccc2[nH+]ccn21 ZINC001242583598 823044052 /nfs/dbraw/zinc/04/40/52/823044052.db2.gz CGGDSPLWRNPDNQ-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001339035399 936345619 /nfs/dbraw/zinc/34/56/19/936345619.db2.gz QNRDQIBYWIOQBU-OAHLLOKOSA-N 1 2 283.375 3.214 20 30 CGEDLO COC[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccco1 ZINC001341044706 936426031 /nfs/dbraw/zinc/42/60/31/936426031.db2.gz MGWBCDAQCUSZJD-AWEZNQCLSA-N 1 2 290.750 3.282 20 30 CGEDLO CC(C)(C)O[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC001347634610 936890158 /nfs/dbraw/zinc/89/01/58/936890158.db2.gz UKXRKXJXYRCAQQ-UHFFFAOYSA-N 1 2 267.398 3.217 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCC(C)C)C1 ZINC001481756548 927079969 /nfs/dbraw/zinc/07/99/69/927079969.db2.gz MOTQTOFKXRPIEZ-AWEZNQCLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC(C)C)C1 ZINC001481756548 927079984 /nfs/dbraw/zinc/07/99/84/927079984.db2.gz MOTQTOFKXRPIEZ-AWEZNQCLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)[C@H]1C ZINC001375663150 937239548 /nfs/dbraw/zinc/23/95/48/937239548.db2.gz WVKGVZUJSOIMFB-XQQFMLRXSA-N 1 2 286.847 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)[C@H]1C ZINC001375663150 937239549 /nfs/dbraw/zinc/23/95/49/937239549.db2.gz WVKGVZUJSOIMFB-XQQFMLRXSA-N 1 2 286.847 3.000 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490430725 928362081 /nfs/dbraw/zinc/36/20/81/928362081.db2.gz KFJWOXHTYVTRDB-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001490430725 928362092 /nfs/dbraw/zinc/36/20/92/928362092.db2.gz KFJWOXHTYVTRDB-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001437616067 937296081 /nfs/dbraw/zinc/29/60/81/937296081.db2.gz HMPYEKLGFRIRLI-ZIAGYGMSSA-N 1 2 283.375 3.199 20 30 CGEDLO C[C@@H](C(=O)N(O)Cc1cccc2ccccc21)n1cc[nH+]c1 ZINC001458015661 937448536 /nfs/dbraw/zinc/44/85/36/937448536.db2.gz GHSQVTRCKZFMBS-ZDUSSCGKSA-N 1 2 295.342 3.015 20 30 CGEDLO C=C(C)CCn1c[nH+]c(Cc2ccccc2OC)c1 ZINC001459303916 937484587 /nfs/dbraw/zinc/48/45/87/937484587.db2.gz YANBDWVDBJIGEK-UHFFFAOYSA-N 1 2 256.349 3.449 20 30 CGEDLO COCC[N@H+](CCC#N)[C@H](C)c1nccc2ccccc21 ZINC001461896434 937604574 /nfs/dbraw/zinc/60/45/74/937604574.db2.gz JJFYBLCUAXUCHO-CQSZACIVSA-N 1 2 283.375 3.158 20 30 CGEDLO COCC[N@@H+](CCC#N)[C@H](C)c1nccc2ccccc21 ZINC001461896434 937604577 /nfs/dbraw/zinc/60/45/77/937604577.db2.gz JJFYBLCUAXUCHO-CQSZACIVSA-N 1 2 283.375 3.158 20 30 CGEDLO C#C[C@@H]1CCC[C@@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080891 932674150 /nfs/dbraw/zinc/67/41/50/932674150.db2.gz ILIFCSSYAJQUMH-DOMZBBRYSA-N 1 2 252.317 3.257 20 30 CGEDLO Fc1cccc(F)c1CC1C[NH+](CC#Cc2ccccc2)C1 ZINC001462320195 937632628 /nfs/dbraw/zinc/63/26/28/937632628.db2.gz IIWXUFLWZWBLLX-UHFFFAOYSA-N 1 2 297.348 3.491 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccccc1Cl)C(=O)OC ZINC001462507064 937646194 /nfs/dbraw/zinc/64/61/94/937646194.db2.gz SBPFIMWYOVMJCX-WFASDCNBSA-N 1 2 295.810 3.368 20 30 CGEDLO Cc1cc(Br)c(C[NH2+][C@@H](C)CC#N)s1 ZINC001308506067 933122250 /nfs/dbraw/zinc/12/22/50/933122250.db2.gz QTBQBKLIVIURSZ-ZETCQYMHSA-N 1 2 273.199 3.211 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(F)c(C)c1)c1ccc(F)cc1 ZINC001308787476 933176774 /nfs/dbraw/zinc/17/67/74/933176774.db2.gz VBEQIOLFYNASHF-OAHLLOKOSA-N 1 2 272.298 3.132 20 30 CGEDLO C#Cc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC001310834002 933262542 /nfs/dbraw/zinc/26/25/42/933262542.db2.gz HMJFVFARJQIVMI-UHFFFAOYSA-N 1 2 293.370 3.310 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)cc1Cl ZINC001319432696 933875514 /nfs/dbraw/zinc/87/55/14/933875514.db2.gz PUQZPXIQJQEGDV-UHFFFAOYSA-N 1 2 285.738 3.245 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1cccc(C)c1)C(=O)OCC ZINC001321147041 934156542 /nfs/dbraw/zinc/15/65/42/934156542.db2.gz ACJIZFXOJQKQTB-RDJZCZTQSA-N 1 2 289.419 3.414 20 30 CGEDLO CCCCCCN(O)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001472621194 937778640 /nfs/dbraw/zinc/77/86/40/937778640.db2.gz KOLMMJXRKBAICM-HNNXBMFYSA-N 1 2 278.396 3.087 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccoc1CCC ZINC001329592344 935230903 /nfs/dbraw/zinc/23/09/03/935230903.db2.gz NIMJFXVNSOKWDP-LBPRGKRZSA-N 1 2 298.814 3.035 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1CCC ZINC001329592344 935230904 /nfs/dbraw/zinc/23/09/04/935230904.db2.gz NIMJFXVNSOKWDP-LBPRGKRZSA-N 1 2 298.814 3.035 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)cnc1F ZINC001333642042 935554746 /nfs/dbraw/zinc/55/47/46/935554746.db2.gz WCHVPKRDIIENBX-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cnc1F ZINC001333642042 935554747 /nfs/dbraw/zinc/55/47/47/935554747.db2.gz WCHVPKRDIIENBX-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2csc(C#N)c2)[C@@H](CC)CO1 ZINC001333778387 936065628 /nfs/dbraw/zinc/06/56/28/936065628.db2.gz BOLZOIDDJGVADP-STQMWFEESA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2csc(C#N)c2)[C@@H](CC)CO1 ZINC001333778387 936065634 /nfs/dbraw/zinc/06/56/34/936065634.db2.gz BOLZOIDDJGVADP-STQMWFEESA-N 1 2 264.394 3.009 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474388516 937856622 /nfs/dbraw/zinc/85/66/22/937856622.db2.gz MGKPDDIVAHTXDH-AWEZNQCLSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474388516 937856623 /nfs/dbraw/zinc/85/66/23/937856623.db2.gz MGKPDDIVAHTXDH-AWEZNQCLSA-N 1 2 264.756 3.171 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCC1CCCC1 ZINC001498217422 937968221 /nfs/dbraw/zinc/96/82/21/937968221.db2.gz SKQPEEDORXHTGC-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCC1CCCC1 ZINC001498217422 937968222 /nfs/dbraw/zinc/96/82/22/937968222.db2.gz SKQPEEDORXHTGC-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001505918131 937988112 /nfs/dbraw/zinc/98/81/12/937988112.db2.gz GMNOFFSHAAXACB-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001505918131 937988113 /nfs/dbraw/zinc/98/81/13/937988113.db2.gz GMNOFFSHAAXACB-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3c(C#N)cccc3[N+](=O)[O-])ccc21 ZINC001559118743 938220542 /nfs/dbraw/zinc/22/05/42/938220542.db2.gz DHGBAFBBJICRSJ-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO C#Cc1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cc1 ZINC001559194827 938222022 /nfs/dbraw/zinc/22/20/22/938222022.db2.gz IMHFYQIPRQHEIT-UHFFFAOYSA-N 1 2 277.371 3.257 20 30 CGEDLO N#Cc1ccnc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC001560046339 938242591 /nfs/dbraw/zinc/24/25/91/938242591.db2.gz MFNSUVCNJRNXIK-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001481383735 957711678 /nfs/dbraw/zinc/71/16/78/957711678.db2.gz JXAUNDKMBPMCKV-MWASSDMHSA-N 1 2 296.842 3.016 20 30 CGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001481383735 957711686 /nfs/dbraw/zinc/71/16/86/957711686.db2.gz JXAUNDKMBPMCKV-MWASSDMHSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001571523075 960467797 /nfs/dbraw/zinc/46/77/97/960467797.db2.gz NLPFLNQBBAAOQK-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001571523075 960467806 /nfs/dbraw/zinc/46/78/06/960467806.db2.gz NLPFLNQBBAAOQK-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CC[C@H]1CC[C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000652173981 398326468 /nfs/dbraw/zinc/32/64/68/398326468.db2.gz DGKJSUGATLEDMT-LSDHHAIUSA-N 1 2 287.407 3.075 20 30 CGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C#N)ccc1C(F)(F)F ZINC000290440404 197709700 /nfs/dbraw/zinc/70/97/00/197709700.db2.gz BUYDQEDSBADQCO-JTQLQIEISA-N 1 2 294.280 3.274 20 30 CGEDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592101409 346963185 /nfs/dbraw/zinc/96/31/85/346963185.db2.gz AEHOKJVKUDFBMG-GFCCVEGCSA-N 1 2 297.406 3.064 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000592069059 346959558 /nfs/dbraw/zinc/95/95/58/346959558.db2.gz LZKYOUJEBCVNQU-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000592069059 346959560 /nfs/dbraw/zinc/95/95/60/346959560.db2.gz LZKYOUJEBCVNQU-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO COc1c(C)cc(C[N@H+](C)Cc2ccncc2C#N)cc1C ZINC000592066914 346959631 /nfs/dbraw/zinc/95/96/31/346959631.db2.gz VAWIVSCMCKXWEZ-UHFFFAOYSA-N 1 2 295.386 3.211 20 30 CGEDLO COc1c(C)cc(C[N@@H+](C)Cc2ccncc2C#N)cc1C ZINC000592066914 346959634 /nfs/dbraw/zinc/95/96/34/346959634.db2.gz VAWIVSCMCKXWEZ-UHFFFAOYSA-N 1 2 295.386 3.211 20 30 CGEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152149 346967721 /nfs/dbraw/zinc/96/77/21/346967721.db2.gz UYTKVDBQYQEOKJ-IINYFYTJSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152149 346967723 /nfs/dbraw/zinc/96/77/23/346967723.db2.gz UYTKVDBQYQEOKJ-IINYFYTJSA-N 1 2 299.201 3.405 20 30 CGEDLO C[N@H+](CCOCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428224775 529924132 /nfs/dbraw/zinc/92/41/32/529924132.db2.gz XSWGREKRLAHDNJ-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO C[N@@H+](CCOCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428224775 529924133 /nfs/dbraw/zinc/92/41/33/529924133.db2.gz XSWGREKRLAHDNJ-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO CC(C)Oc1cc[nH+]c(CN(CC#N)C2CCCC2)c1 ZINC000593014585 347028047 /nfs/dbraw/zinc/02/80/47/347028047.db2.gz NNIPHPNJPIDJLB-UHFFFAOYSA-N 1 2 273.380 3.137 20 30 CGEDLO CC(C)Oc1cc[nH+]c(CN2Cc3cccc(C#N)c3C2)c1 ZINC000593123960 347043083 /nfs/dbraw/zinc/04/30/83/347043083.db2.gz IUXJKQKWWXTRBN-UHFFFAOYSA-N 1 2 293.370 3.256 20 30 CGEDLO COCc1cc[nH+]c(NCc2ccc(C#N)c(C)c2)c1 ZINC000593223205 347053025 /nfs/dbraw/zinc/05/30/25/347053025.db2.gz QUBJWAQLAQYXNQ-UHFFFAOYSA-N 1 2 267.332 3.020 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)no1)Cc1ccc(OC)cc1 ZINC000054272360 345131396 /nfs/dbraw/zinc/13/13/96/345131396.db2.gz SAMLDHIKPIOLPN-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)no1)Cc1ccc(OC)cc1 ZINC000054272360 345131401 /nfs/dbraw/zinc/13/14/01/345131401.db2.gz SAMLDHIKPIOLPN-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)C[C@@H](C#N)CCC#N ZINC000073021488 345427322 /nfs/dbraw/zinc/42/73/22/345427322.db2.gz BQSYYTSGXDSQRF-CYBMUJFWSA-N 1 2 259.378 3.180 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)C[C@@H](C#N)CCC#N ZINC000073021488 345427323 /nfs/dbraw/zinc/42/73/23/345427323.db2.gz BQSYYTSGXDSQRF-CYBMUJFWSA-N 1 2 259.378 3.180 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000078491903 345610906 /nfs/dbraw/zinc/61/09/06/345610906.db2.gz VVXSBEKQDRHOKF-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000078491903 345610910 /nfs/dbraw/zinc/61/09/10/345610910.db2.gz VVXSBEKQDRHOKF-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C[N@H+](Cc1cccc2c1OCO2)Cc1cc(C#N)ccc1F ZINC000161656953 346176251 /nfs/dbraw/zinc/17/62/51/346176251.db2.gz ZJRNSNPFKDYUFZ-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1cc(C#N)ccc1F ZINC000161656953 346176252 /nfs/dbraw/zinc/17/62/52/346176252.db2.gz ZJRNSNPFKDYUFZ-UHFFFAOYSA-N 1 2 298.317 3.058 20 30 CGEDLO Cc1ncccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155410536 346153290 /nfs/dbraw/zinc/15/32/90/346153290.db2.gz KHSQKVMJWYDNTG-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ncccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155410536 346153293 /nfs/dbraw/zinc/15/32/93/346153293.db2.gz KHSQKVMJWYDNTG-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#CC[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CCCC1 ZINC000229316556 346317183 /nfs/dbraw/zinc/31/71/83/346317183.db2.gz PYPYCEPNTHFCBM-OAHLLOKOSA-N 1 2 262.397 3.246 20 30 CGEDLO N#CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CCCC1 ZINC000229316556 346317186 /nfs/dbraw/zinc/31/71/86/346317186.db2.gz PYPYCEPNTHFCBM-OAHLLOKOSA-N 1 2 262.397 3.246 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000593573527 347091838 /nfs/dbraw/zinc/09/18/38/347091838.db2.gz YKUPAQKRFSUMNL-AWEZNQCLSA-N 1 2 282.391 3.223 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000593573527 347091840 /nfs/dbraw/zinc/09/18/40/347091840.db2.gz YKUPAQKRFSUMNL-AWEZNQCLSA-N 1 2 282.391 3.223 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H](CC)CO1 ZINC000593661974 347101653 /nfs/dbraw/zinc/10/16/53/347101653.db2.gz VSHKWIIVWFGDMY-NWDGAFQWSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@@H](CC)CO1 ZINC000593661974 347101658 /nfs/dbraw/zinc/10/16/58/347101658.db2.gz VSHKWIIVWFGDMY-NWDGAFQWSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)CO1 ZINC000403812731 346598384 /nfs/dbraw/zinc/59/83/84/346598384.db2.gz KDEFTBPSBGOPRO-RISCZKNCSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)CO1 ZINC000403812731 346598385 /nfs/dbraw/zinc/59/83/85/346598385.db2.gz KDEFTBPSBGOPRO-RISCZKNCSA-N 1 2 278.783 3.211 20 30 CGEDLO CO[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000405126220 346602683 /nfs/dbraw/zinc/60/26/83/346602683.db2.gz ZANFBQUMRHHVKF-GOSISDBHSA-N 1 2 278.355 3.262 20 30 CGEDLO CO[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000405126220 346602686 /nfs/dbraw/zinc/60/26/86/346602686.db2.gz ZANFBQUMRHHVKF-GOSISDBHSA-N 1 2 278.355 3.262 20 30 CGEDLO C=C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)OC ZINC000586642359 346732435 /nfs/dbraw/zinc/73/24/35/346732435.db2.gz VBSYIESONBQBLI-CABCVRRESA-N 1 2 295.810 3.397 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1Br ZINC000594006814 347135857 /nfs/dbraw/zinc/13/58/57/347135857.db2.gz NICJNOJJIQBYHU-LBPRGKRZSA-N 1 2 292.180 3.103 20 30 CGEDLO CCOc1ccccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028271 347139037 /nfs/dbraw/zinc/13/90/37/347139037.db2.gz KTGDVEYFGVWNJS-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO CCOc1ccccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028271 347139041 /nfs/dbraw/zinc/13/90/41/347139041.db2.gz KTGDVEYFGVWNJS-UHFFFAOYSA-N 1 2 278.355 3.473 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCc1c(F)cccc1F ZINC000593990164 347131688 /nfs/dbraw/zinc/13/16/88/347131688.db2.gz DQSOZNWZAHULTB-UHFFFAOYSA-N 1 2 264.319 3.299 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCc1c(F)cccc1F ZINC000593990164 347131691 /nfs/dbraw/zinc/13/16/91/347131691.db2.gz DQSOZNWZAHULTB-UHFFFAOYSA-N 1 2 264.319 3.299 20 30 CGEDLO CC[N@H+](CCCOc1cccc(Cl)c1)[C@@H](C)C#N ZINC000595812515 347358143 /nfs/dbraw/zinc/35/81/43/347358143.db2.gz GFMPETRLRKRDAQ-LBPRGKRZSA-N 1 2 266.772 3.343 20 30 CGEDLO CC[N@@H+](CCCOc1cccc(Cl)c1)[C@@H](C)C#N ZINC000595812515 347358146 /nfs/dbraw/zinc/35/81/46/347358146.db2.gz GFMPETRLRKRDAQ-LBPRGKRZSA-N 1 2 266.772 3.343 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000595621657 347329671 /nfs/dbraw/zinc/32/96/71/347329671.db2.gz XEWNVRGLHYGVKY-AWEZNQCLSA-N 1 2 272.779 3.317 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000595621657 347329674 /nfs/dbraw/zinc/32/96/74/347329674.db2.gz XEWNVRGLHYGVKY-AWEZNQCLSA-N 1 2 272.779 3.317 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1Cl ZINC000595531294 347315919 /nfs/dbraw/zinc/31/59/19/347315919.db2.gz VZWZRQCNGNXGLJ-NSHDSACASA-N 1 2 252.745 3.130 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000595839844 347365531 /nfs/dbraw/zinc/36/55/31/347365531.db2.gz MJXSZURHVRURKK-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000595839844 347365534 /nfs/dbraw/zinc/36/55/34/347365534.db2.gz MJXSZURHVRURKK-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 ZINC000595890901 347370863 /nfs/dbraw/zinc/37/08/63/347370863.db2.gz NUSFBJIRTFOWTL-FZMZJTMJSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 ZINC000595890901 347370865 /nfs/dbraw/zinc/37/08/65/347370865.db2.gz NUSFBJIRTFOWTL-FZMZJTMJSA-N 1 2 298.308 3.100 20 30 CGEDLO C=CCCSCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000596413380 347449613 /nfs/dbraw/zinc/44/96/13/347449613.db2.gz KNTHVJRNLHOHFW-UHFFFAOYSA-N 1 2 292.452 3.188 20 30 CGEDLO C=CCCSCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000596413380 347449615 /nfs/dbraw/zinc/44/96/15/347449615.db2.gz KNTHVJRNLHOHFW-UHFFFAOYSA-N 1 2 292.452 3.188 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000597232072 347559708 /nfs/dbraw/zinc/55/97/08/347559708.db2.gz RUACRFUGQVNXGW-QGZVFWFLSA-N 1 2 286.375 3.067 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000597232072 347559710 /nfs/dbraw/zinc/55/97/10/347559710.db2.gz RUACRFUGQVNXGW-QGZVFWFLSA-N 1 2 286.375 3.067 20 30 CGEDLO Cc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599679914 347764972 /nfs/dbraw/zinc/76/49/72/347764972.db2.gz ZYPWNGDYWFBLAV-UHFFFAOYSA-N 1 2 297.427 3.384 20 30 CGEDLO Cc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)sc1C ZINC000599679914 347764974 /nfs/dbraw/zinc/76/49/74/347764974.db2.gz ZYPWNGDYWFBLAV-UHFFFAOYSA-N 1 2 297.427 3.384 20 30 CGEDLO C[N@H+](CCCC#N)[C@H](CCc1ccccc1)C(F)F ZINC000599681144 347765199 /nfs/dbraw/zinc/76/51/99/347765199.db2.gz DALLSCHOLIIKAF-CQSZACIVSA-N 1 2 266.335 3.488 20 30 CGEDLO C[N@@H+](CCCC#N)[C@H](CCc1ccccc1)C(F)F ZINC000599681144 347765201 /nfs/dbraw/zinc/76/52/01/347765201.db2.gz DALLSCHOLIIKAF-CQSZACIVSA-N 1 2 266.335 3.488 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000600120669 347781825 /nfs/dbraw/zinc/78/18/25/347781825.db2.gz LUJYKDLORCFOKH-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000600120669 347781828 /nfs/dbraw/zinc/78/18/28/347781828.db2.gz LUJYKDLORCFOKH-DLBZAZTESA-N 1 2 281.359 3.255 20 30 CGEDLO C/C=C\C[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000599199731 347726100 /nfs/dbraw/zinc/72/61/00/347726100.db2.gz KRGPWGLQMLDBGK-VQTKUKTRSA-N 1 2 255.365 3.444 20 30 CGEDLO CCc1cc(N)nc(S[C@@H](C#N)CCc2ccccc2)[nH+]1 ZINC000601082167 347865559 /nfs/dbraw/zinc/86/55/59/347865559.db2.gz YTKAKISXRZLLQL-CQSZACIVSA-N 1 2 298.415 3.069 20 30 CGEDLO N#Cc1cccc(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000601113047 347870841 /nfs/dbraw/zinc/87/08/41/347870841.db2.gz JTOHONYNJNTNCA-HNNXBMFYSA-N 1 2 263.344 3.313 20 30 CGEDLO CCCCc1[nH+]c2ccccc2n1C[C@@H](O)CC1(C#N)CC1 ZINC000601956058 347929382 /nfs/dbraw/zinc/92/93/82/347929382.db2.gz XCHPIZPQGGLRST-AWEZNQCLSA-N 1 2 297.402 3.434 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)CCCn1cc[nH+]c1 ZINC000601687201 347904957 /nfs/dbraw/zinc/90/49/57/347904957.db2.gz XOOOBBVZDSXOFG-UHFFFAOYSA-N 1 2 289.423 3.258 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccnn1CC1CCC1 ZINC000602464686 347962997 /nfs/dbraw/zinc/96/29/97/347962997.db2.gz FYJYJRXWIGBWML-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccnn1CC1CCC1 ZINC000602464686 347962998 /nfs/dbraw/zinc/96/29/98/347962998.db2.gz FYJYJRXWIGBWML-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)n1 ZINC000602481892 347966923 /nfs/dbraw/zinc/96/69/23/347966923.db2.gz FUEMUHWWJMKBCA-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)n1 ZINC000602481892 347966927 /nfs/dbraw/zinc/96/69/27/347966927.db2.gz FUEMUHWWJMKBCA-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO Cn1cc[nH+]c1[C@H](Nc1ccc(CC#N)cc1)C1CC1 ZINC000602613043 347993974 /nfs/dbraw/zinc/99/39/74/347993974.db2.gz LVJUDNVZCHDWEC-OAHLLOKOSA-N 1 2 266.348 3.049 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc3ccccc3o2)CCCCC1 ZINC000602719031 348016318 /nfs/dbraw/zinc/01/63/18/348016318.db2.gz NUDLFYHRVPCXLF-UHFFFAOYSA-N 1 2 269.348 3.391 20 30 CGEDLO CN(C)c1c[nH+]cc(NC2CCC(C)(C#N)CC2)c1 ZINC000602726540 348018591 /nfs/dbraw/zinc/01/85/91/348018591.db2.gz XHODPAUKONXLKG-UHFFFAOYSA-N 1 2 258.369 3.032 20 30 CGEDLO C=C(C)C[C@H]([NH2+]Cc1cc(C)c2ncccc2c1)C(=O)OC ZINC000602732374 348020905 /nfs/dbraw/zinc/02/09/05/348020905.db2.gz BGLYRNSOSOEZJQ-INIZCTEOSA-N 1 2 298.386 3.141 20 30 CGEDLO N#CC[N@H+](Cc1cccc2c1CCOC2)C1CCCC1 ZINC000602776680 348027215 /nfs/dbraw/zinc/02/72/15/348027215.db2.gz CUWKXQZIGYVJSL-UHFFFAOYSA-N 1 2 270.376 3.027 20 30 CGEDLO N#CC[N@@H+](Cc1cccc2c1CCOC2)C1CCCC1 ZINC000602776680 348027217 /nfs/dbraw/zinc/02/72/17/348027217.db2.gz CUWKXQZIGYVJSL-UHFFFAOYSA-N 1 2 270.376 3.027 20 30 CGEDLO Cc1c2c(nc(SCc3ccc[nH+]c3N)c1C#N)CCC2 ZINC000603309596 348069587 /nfs/dbraw/zinc/06/95/87/348069587.db2.gz OLKVVUCFQRWLFV-UHFFFAOYSA-N 1 2 296.399 3.020 20 30 CGEDLO N#CCC1(C[N@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC000602799050 348031469 /nfs/dbraw/zinc/03/14/69/348031469.db2.gz QMYBUCVDTYEDDE-UHFFFAOYSA-N 1 2 281.359 3.371 20 30 CGEDLO N#CCC1(C[N@@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC000602799050 348031472 /nfs/dbraw/zinc/03/14/72/348031472.db2.gz QMYBUCVDTYEDDE-UHFFFAOYSA-N 1 2 281.359 3.371 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980368 348050495 /nfs/dbraw/zinc/05/04/95/348050495.db2.gz PIPFNSFHWAZHJK-SMDDNHRTSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980368 348050497 /nfs/dbraw/zinc/05/04/97/348050497.db2.gz PIPFNSFHWAZHJK-SMDDNHRTSA-N 1 2 250.292 3.089 20 30 CGEDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000608840194 348332376 /nfs/dbraw/zinc/33/23/76/348332376.db2.gz BXVUWBNNXAFNTB-ZDUSSCGKSA-N 1 2 297.358 3.000 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000608840194 348332377 /nfs/dbraw/zinc/33/23/77/348332377.db2.gz BXVUWBNNXAFNTB-ZDUSSCGKSA-N 1 2 297.358 3.000 20 30 CGEDLO Cc1ccc(-c2cc(C[NH2+][C@H](C)CC#N)on2)cc1 ZINC000609030956 348334891 /nfs/dbraw/zinc/33/48/91/348334891.db2.gz WOSVKDBDLPCLNQ-GFCCVEGCSA-N 1 2 255.321 3.042 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000609486217 348345394 /nfs/dbraw/zinc/34/53/94/348345394.db2.gz GAQUWQWSLJMTCI-MRXNPFEDSA-N 1 2 291.826 3.006 20 30 CGEDLO N#Cc1cc(Cl)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276371 348370390 /nfs/dbraw/zinc/37/03/90/348370390.db2.gz QYJYDGYXUHQJSR-CQSZACIVSA-N 1 2 286.766 3.250 20 30 CGEDLO N#Cc1cccc(Cl)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276374 348370833 /nfs/dbraw/zinc/37/08/33/348370833.db2.gz QZVOJORSEYUEHL-ZDUSSCGKSA-N 1 2 286.766 3.250 20 30 CGEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc(C#N)c1 ZINC000611387485 348443523 /nfs/dbraw/zinc/44/35/23/348443523.db2.gz ANVNMDGWHKXOBB-LLVKDONJSA-N 1 2 294.314 3.052 20 30 CGEDLO Cc1cccc(C)c1OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164540 348498455 /nfs/dbraw/zinc/49/84/55/348498455.db2.gz BROLDJZKTMODCY-QGZVFWFLSA-N 1 2 272.392 3.308 20 30 CGEDLO Cc1cccc(C)c1OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164540 348498457 /nfs/dbraw/zinc/49/84/57/348498457.db2.gz BROLDJZKTMODCY-QGZVFWFLSA-N 1 2 272.392 3.308 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000612406235 348517503 /nfs/dbraw/zinc/51/75/03/348517503.db2.gz JZHAQSNJZNVXLH-MRXNPFEDSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000612406235 348517505 /nfs/dbraw/zinc/51/75/05/348517505.db2.gz JZHAQSNJZNVXLH-MRXNPFEDSA-N 1 2 298.415 3.331 20 30 CGEDLO C=CCC[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000615634958 348753837 /nfs/dbraw/zinc/75/38/37/348753837.db2.gz ZZGHDNXOYRLKEF-UHFFFAOYSA-N 1 2 280.375 3.060 20 30 CGEDLO C=CCC[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000615634958 348753841 /nfs/dbraw/zinc/75/38/41/348753841.db2.gz ZZGHDNXOYRLKEF-UHFFFAOYSA-N 1 2 280.375 3.060 20 30 CGEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000617037149 348902762 /nfs/dbraw/zinc/90/27/62/348902762.db2.gz IZIDKAOAIHVUJS-HOCLYGCPSA-N 1 2 297.402 3.128 20 30 CGEDLO CC(C)[C@@H](C[N@@H+]1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000619430606 349249092 /nfs/dbraw/zinc/24/90/92/349249092.db2.gz HLSMIXFYOCOMSY-CVEARBPZSA-N 1 2 260.356 3.364 20 30 CGEDLO CC(C)[C@@H](C[N@H+]1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000619430606 349249097 /nfs/dbraw/zinc/24/90/97/349249097.db2.gz HLSMIXFYOCOMSY-CVEARBPZSA-N 1 2 260.356 3.364 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000619535283 349257938 /nfs/dbraw/zinc/25/79/38/349257938.db2.gz LPSQAXRQGGZOKD-UHFFFAOYSA-N 1 2 284.281 3.021 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000630919189 350909048 /nfs/dbraw/zinc/90/90/48/350909048.db2.gz UJKSPBTVKJWICM-UHFFFAOYSA-N 1 2 267.332 3.372 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1(C)C ZINC000635862798 351697986 /nfs/dbraw/zinc/69/79/86/351697986.db2.gz QZEWUFFZASJZQV-NFAWXSAZSA-N 1 2 287.407 3.107 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1(C)C ZINC000635862798 351697987 /nfs/dbraw/zinc/69/79/87/351697987.db2.gz QZEWUFFZASJZQV-NFAWXSAZSA-N 1 2 287.407 3.107 20 30 CGEDLO C=CC[C@@H]1N(C(=O)Cc2[nH]cc(CC)[nH+]2)CCCC1(C)C ZINC000635863299 351698391 /nfs/dbraw/zinc/69/83/91/351698391.db2.gz XECDVVXNJWSXSB-AWEZNQCLSA-N 1 2 289.423 3.108 20 30 CGEDLO CCN(CC)c1ccc(CNc2ccc(C#N)c(C)n2)c[nH+]1 ZINC000291747858 198079314 /nfs/dbraw/zinc/07/93/14/198079314.db2.gz ZKMDOUMKQMGLEE-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000123273911 187082306 /nfs/dbraw/zinc/08/23/06/187082306.db2.gz KCUZZGVNYCLVKL-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cscn1 ZINC000271543440 191204243 /nfs/dbraw/zinc/20/42/43/191204243.db2.gz YXBGSIVZZQRVCX-LBPRGKRZSA-N 1 2 272.373 3.006 20 30 CGEDLO Cc1ccc[nH+]c1CCNc1nc(Cl)c(C#N)s1 ZINC000295661311 199609361 /nfs/dbraw/zinc/60/93/61/199609361.db2.gz FDDFLGHXCWSHSL-UHFFFAOYSA-N 1 2 278.768 3.026 20 30 CGEDLO CCC(CC)c1cc(C[NH2+]Cc2ccc(C#N)o2)on1 ZINC000174547332 188905409 /nfs/dbraw/zinc/90/54/09/188905409.db2.gz RPKGUOYXPSYECW-UHFFFAOYSA-N 1 2 273.336 3.333 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000124841763 138377935 /nfs/dbraw/zinc/37/79/35/138377935.db2.gz BIQXILLHHLXQRO-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000124841763 138377937 /nfs/dbraw/zinc/37/79/37/138377937.db2.gz BIQXILLHHLXQRO-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428241599 236382495 /nfs/dbraw/zinc/38/24/95/236382495.db2.gz RJUPVRDASFLMOX-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428241599 236382498 /nfs/dbraw/zinc/38/24/98/236382498.db2.gz RJUPVRDASFLMOX-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ccn2cc(CNc3ccc(C#N)cc3)[nH+]c2c1 ZINC000341261152 215898436 /nfs/dbraw/zinc/89/84/36/215898436.db2.gz SPLUJWQDEPHHNB-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000177270048 189040675 /nfs/dbraw/zinc/04/06/75/189040675.db2.gz RNTHMTLNVOWXTO-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000177270048 189040676 /nfs/dbraw/zinc/04/06/76/189040676.db2.gz RNTHMTLNVOWXTO-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCOCC12CCCCC2 ZINC000451816961 240365678 /nfs/dbraw/zinc/36/56/78/240365678.db2.gz QBXMVWCHFHWTHX-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCOCC12CCCCC2 ZINC000451816961 240365681 /nfs/dbraw/zinc/36/56/81/240365681.db2.gz QBXMVWCHFHWTHX-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccccc2C#N)o1 ZINC000179093344 189169171 /nfs/dbraw/zinc/16/91/71/189169171.db2.gz XPIBBFKWXCTZIR-INIZCTEOSA-N 1 2 284.359 3.191 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(C#N)cc3C)cc2[nH+]1 ZINC000439030406 238223787 /nfs/dbraw/zinc/22/37/87/238223787.db2.gz ZWABBEKSHRVVKW-UHFFFAOYSA-N 1 2 290.326 3.304 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3ccc(C#N)cc3C)ccc2[nH+]1 ZINC000439030406 238223793 /nfs/dbraw/zinc/22/37/93/238223793.db2.gz ZWABBEKSHRVVKW-UHFFFAOYSA-N 1 2 290.326 3.304 20 30 CGEDLO N#Cc1ccc(/C=C\c2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000342220473 216267467 /nfs/dbraw/zinc/26/74/67/216267467.db2.gz GVFGEIZIBMFKHU-ARJAWSKDSA-N 1 2 278.340 3.371 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(Cl)c(C#N)n1 ZINC000301603270 201091521 /nfs/dbraw/zinc/09/15/21/201091521.db2.gz WYLKDBSFELOHLB-UHFFFAOYSA-N 1 2 289.770 3.071 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000119980775 370728881 /nfs/dbraw/zinc/72/88/81/370728881.db2.gz FKXLPHRWEHJZQG-LBPRGKRZSA-N 1 2 264.394 3.061 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000119980775 370728882 /nfs/dbraw/zinc/72/88/82/370728882.db2.gz FKXLPHRWEHJZQG-LBPRGKRZSA-N 1 2 264.394 3.061 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000121174532 370836235 /nfs/dbraw/zinc/83/62/35/370836235.db2.gz GHQXPQNAUWDNMY-UHFFFAOYSA-N 1 2 297.280 3.373 20 30 CGEDLO C=CC[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000121174532 370836237 /nfs/dbraw/zinc/83/62/37/370836237.db2.gz GHQXPQNAUWDNMY-UHFFFAOYSA-N 1 2 297.280 3.373 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CNc1ccc(F)c(C#N)c1 ZINC000051635922 369450021 /nfs/dbraw/zinc/45/00/21/369450021.db2.gz GTGDVVOMOFFIIJ-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H](C#N)CCC#N ZINC000127643530 370954364 /nfs/dbraw/zinc/95/43/64/370954364.db2.gz IQNZXSUGRDJADS-LBPRGKRZSA-N 1 2 279.746 3.354 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](C#N)CCC#N ZINC000127643530 370954370 /nfs/dbraw/zinc/95/43/70/370954370.db2.gz IQNZXSUGRDJADS-LBPRGKRZSA-N 1 2 279.746 3.354 20 30 CGEDLO C=CCCN(C)c1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000276379577 193307905 /nfs/dbraw/zinc/30/79/05/193307905.db2.gz YSFIFKUGBXTZCO-UHFFFAOYSA-N 1 2 268.364 3.168 20 30 CGEDLO C=CCCCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000081929571 369998717 /nfs/dbraw/zinc/99/87/17/369998717.db2.gz UADDKSQIICOPPR-UHFFFAOYSA-N 1 2 297.402 3.098 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091678009 370074886 /nfs/dbraw/zinc/07/48/86/370074886.db2.gz WVRQVJYRLGIQJI-RISCZKNCSA-N 1 2 291.782 3.067 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091678009 370074887 /nfs/dbraw/zinc/07/48/87/370074887.db2.gz WVRQVJYRLGIQJI-RISCZKNCSA-N 1 2 291.782 3.067 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000103138709 370319404 /nfs/dbraw/zinc/31/94/04/370319404.db2.gz FAMUJVIYBCMUPH-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000103138709 370319409 /nfs/dbraw/zinc/31/94/09/370319409.db2.gz FAMUJVIYBCMUPH-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C=CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309859 370396325 /nfs/dbraw/zinc/39/63/25/370396325.db2.gz UZWRZYHTMYOWIM-FZMZJTMJSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309859 370396327 /nfs/dbraw/zinc/39/63/27/370396327.db2.gz UZWRZYHTMYOWIM-FZMZJTMJSA-N 1 2 251.757 3.288 20 30 CGEDLO C[C@H]([NH2+]CCC#N)c1ccc(Br)cc1F ZINC000131893026 371137593 /nfs/dbraw/zinc/13/75/93/371137593.db2.gz MHHSDWRPZMHCQI-QMMMGPOBSA-N 1 2 271.133 3.152 20 30 CGEDLO N#Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)s1 ZINC000131363527 371101638 /nfs/dbraw/zinc/10/16/38/371101638.db2.gz SFIPPFSROLSJCP-UHFFFAOYSA-N 1 2 289.429 3.003 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135113089 371391647 /nfs/dbraw/zinc/39/16/47/371391647.db2.gz SOYNRCCUKLNZDU-CABCVRRESA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000135113089 371391652 /nfs/dbraw/zinc/39/16/52/371391652.db2.gz SOYNRCCUKLNZDU-CABCVRRESA-N 1 2 283.400 3.415 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(F)cc1Br ZINC000134975751 371381163 /nfs/dbraw/zinc/38/11/63/371381163.db2.gz BJQDFLNRHCGSJA-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(F)c(F)c1 ZINC000287775539 371704353 /nfs/dbraw/zinc/70/43/53/371704353.db2.gz NEFJVWAVBLCODN-HZMBPMFUSA-N 1 2 292.333 3.061 20 30 CGEDLO Cc1cccc(OCC[N@H+](CC#N)C2CCCC2)c1 ZINC000156699207 371991990 /nfs/dbraw/zinc/99/19/90/371991990.db2.gz LREYJHFDULNCDK-UHFFFAOYSA-N 1 2 258.365 3.142 20 30 CGEDLO Cc1cccc(OCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000156699207 371991997 /nfs/dbraw/zinc/99/19/97/371991997.db2.gz LREYJHFDULNCDK-UHFFFAOYSA-N 1 2 258.365 3.142 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000158037232 372048340 /nfs/dbraw/zinc/04/83/40/372048340.db2.gz HUIDVMPZCZEWIL-OAHLLOKOSA-N 1 2 297.320 3.492 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000158037232 372048342 /nfs/dbraw/zinc/04/83/42/372048342.db2.gz HUIDVMPZCZEWIL-OAHLLOKOSA-N 1 2 297.320 3.492 20 30 CGEDLO CCc1nc(C)c(C[N@H+](CCC#N)CCC(C)C)o1 ZINC000428247163 372182618 /nfs/dbraw/zinc/18/26/18/372182618.db2.gz PQLMBKRNXRLLHU-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO CCc1nc(C)c(C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000428247163 372182627 /nfs/dbraw/zinc/18/26/27/372182627.db2.gz PQLMBKRNXRLLHU-UHFFFAOYSA-N 1 2 263.385 3.307 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cc(C)ncn1)c1ccc(F)c(F)c1 ZINC000293264077 372341367 /nfs/dbraw/zinc/34/13/67/372341367.db2.gz SEBMITDGCIMHGS-INIZCTEOSA-N 1 2 289.329 3.470 20 30 CGEDLO C=CC[N@@H+](CCC#N)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430097337 372384384 /nfs/dbraw/zinc/38/43/84/372384384.db2.gz QFMFXGPVBWYPHP-KAMYIIQDSA-N 1 2 285.347 3.400 20 30 CGEDLO C=CC[N@H+](CCC#N)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430097337 372384386 /nfs/dbraw/zinc/38/43/86/372384386.db2.gz QFMFXGPVBWYPHP-KAMYIIQDSA-N 1 2 285.347 3.400 20 30 CGEDLO C=CCOCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000433061026 372580603 /nfs/dbraw/zinc/58/06/03/372580603.db2.gz NRNDYMBDTAXWNZ-CYBMUJFWSA-N 1 2 255.308 3.175 20 30 CGEDLO CC1(C[N@@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CCC1 ZINC000433207075 372583721 /nfs/dbraw/zinc/58/37/21/372583721.db2.gz JSCPMEPBIUESFM-GOEBONIOSA-N 1 2 262.397 3.104 20 30 CGEDLO CC1(C[N@H+]2CCC[C@]3(CCCCO3)[C@@H]2C#N)CCC1 ZINC000433207075 372583731 /nfs/dbraw/zinc/58/37/31/372583731.db2.gz JSCPMEPBIUESFM-GOEBONIOSA-N 1 2 262.397 3.104 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)cccc1OC ZINC000169280894 372627362 /nfs/dbraw/zinc/62/73/62/372627362.db2.gz QNJOWTRVHZGKOV-JTQLQIEISA-N 1 2 252.745 3.130 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cscn1 ZINC000171065046 372708058 /nfs/dbraw/zinc/70/80/58/372708058.db2.gz GLDJWFWVAIELNK-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cscn1 ZINC000171065046 372708064 /nfs/dbraw/zinc/70/80/64/372708064.db2.gz GLDJWFWVAIELNK-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@@H]([N@H+](CC#N)C2CC2)C1 ZINC000437689655 372854563 /nfs/dbraw/zinc/85/45/63/372854563.db2.gz UEZWFBKGIHKELH-SJORKVTESA-N 1 2 254.377 3.485 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+](CC#N)C2CC2)C1 ZINC000437689655 372854570 /nfs/dbraw/zinc/85/45/70/372854570.db2.gz UEZWFBKGIHKELH-SJORKVTESA-N 1 2 254.377 3.485 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)o1 ZINC000344728938 217291635 /nfs/dbraw/zinc/29/16/35/217291635.db2.gz LVYWGIVGRSRGEZ-UHFFFAOYSA-N 1 2 296.248 3.182 20 30 CGEDLO CCSCc1cc[nH+]c(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442820598 373096447 /nfs/dbraw/zinc/09/64/47/373096447.db2.gz BZDHMLMDKNEUAF-YPMHNXCESA-N 1 2 261.394 3.439 20 30 CGEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000296405191 373122636 /nfs/dbraw/zinc/12/26/36/373122636.db2.gz WCQJILPHVHADGF-CYBMUJFWSA-N 1 2 292.448 3.166 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1ccccc1C#N)c1nccs1 ZINC000173506239 373147712 /nfs/dbraw/zinc/14/77/12/373147712.db2.gz PKPMIAQZIDEHGI-OAHLLOKOSA-N 1 2 271.389 3.430 20 30 CGEDLO C=CC[C@@H](CO)Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000302153100 373822404 /nfs/dbraw/zinc/82/24/04/373822404.db2.gz VABHRBYRDKMVCH-LBPRGKRZSA-N 1 2 291.439 3.421 20 30 CGEDLO N#Cc1cccc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000302477332 373875493 /nfs/dbraw/zinc/87/54/93/373875493.db2.gz VQKUYFWJJYTNFK-UHFFFAOYSA-N 1 2 289.342 3.169 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1C(C)(C)C ZINC000180059452 373960805 /nfs/dbraw/zinc/96/08/05/373960805.db2.gz LUQRYOGDODZVPP-UHFFFAOYSA-N 1 2 290.455 3.479 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1C(C)(C)C ZINC000180059452 373960808 /nfs/dbraw/zinc/96/08/08/373960808.db2.gz LUQRYOGDODZVPP-UHFFFAOYSA-N 1 2 290.455 3.479 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000181116696 374082586 /nfs/dbraw/zinc/08/25/86/374082586.db2.gz MDSRTUJIRUUOBC-KBPBESRZSA-N 1 2 290.411 3.391 20 30 CGEDLO C=CCCOCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450404810 374106249 /nfs/dbraw/zinc/10/62/49/374106249.db2.gz PBLDDBMQTRFBIE-UHFFFAOYSA-N 1 2 282.347 3.116 20 30 CGEDLO C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000309301621 374183339 /nfs/dbraw/zinc/18/33/39/374183339.db2.gz MEZRJOMBAHMJJX-SNVBAGLBSA-N 1 2 279.181 3.305 20 30 CGEDLO C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000309301621 374183344 /nfs/dbraw/zinc/18/33/44/374183344.db2.gz MEZRJOMBAHMJJX-SNVBAGLBSA-N 1 2 279.181 3.305 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H](C)c2nccs2)c1O ZINC000182168800 374229484 /nfs/dbraw/zinc/22/94/84/374229484.db2.gz UFQZXFUNJRTPQX-YAFRSCOQSA-N 1 2 290.388 3.470 20 30 CGEDLO COc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000185721873 374723132 /nfs/dbraw/zinc/72/31/32/374723132.db2.gz IIHSWLDVYHQXDW-VXGBXAGGSA-N 1 2 260.337 3.198 20 30 CGEDLO C=CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000334417062 374732453 /nfs/dbraw/zinc/73/24/53/374732453.db2.gz XWOHLVJXLBGJEZ-GFCCVEGCSA-N 1 2 267.170 3.167 20 30 CGEDLO C=CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000334417062 374732461 /nfs/dbraw/zinc/73/24/61/374732461.db2.gz XWOHLVJXLBGJEZ-GFCCVEGCSA-N 1 2 267.170 3.167 20 30 CGEDLO C#CCC(C)(C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000186176101 374807953 /nfs/dbraw/zinc/80/79/53/374807953.db2.gz CISIIPXMHASUEI-UHFFFAOYSA-N 1 2 267.332 3.065 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000186954540 374943301 /nfs/dbraw/zinc/94/33/01/374943301.db2.gz LNJYFESTGJEBPU-SNVBAGLBSA-N 1 2 266.797 3.149 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000186954540 374943304 /nfs/dbraw/zinc/94/33/04/374943304.db2.gz LNJYFESTGJEBPU-SNVBAGLBSA-N 1 2 266.797 3.149 20 30 CGEDLO Fc1ccc(F)c2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000483923168 375185309 /nfs/dbraw/zinc/18/53/09/375185309.db2.gz KYNSCXSYXKLLEV-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1ccc(F)c2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000483923168 375185317 /nfs/dbraw/zinc/18/53/17/375185317.db2.gz KYNSCXSYXKLLEV-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000188394547 375208846 /nfs/dbraw/zinc/20/88/46/375208846.db2.gz XUPMZEAHRZOAOV-KRWDZBQOSA-N 1 2 290.407 3.268 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1C(F)F ZINC000188463780 375219837 /nfs/dbraw/zinc/21/98/37/375219837.db2.gz JIWBZVHCRBWMFV-LLVKDONJSA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1C(F)F ZINC000188463780 375219841 /nfs/dbraw/zinc/21/98/41/375219841.db2.gz JIWBZVHCRBWMFV-LLVKDONJSA-N 1 2 290.317 3.343 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc(C#N)c(C)n1 ZINC000487918998 375284641 /nfs/dbraw/zinc/28/46/41/375284641.db2.gz NAGBOCGOEJHPDI-UHFFFAOYSA-N 1 2 292.386 3.336 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)CC1(F)F ZINC000494222396 375487303 /nfs/dbraw/zinc/48/73/03/375487303.db2.gz FUVCJKKKUVNTPM-GFCCVEGCSA-N 1 2 264.319 3.230 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CC1(F)F ZINC000494222396 375487310 /nfs/dbraw/zinc/48/73/10/375487310.db2.gz FUVCJKKKUVNTPM-GFCCVEGCSA-N 1 2 264.319 3.230 20 30 CGEDLO Cc1oc(C#N)cc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335883187 375510528 /nfs/dbraw/zinc/51/05/28/375510528.db2.gz OGEQIUIDTVAODR-UHFFFAOYSA-N 1 2 269.304 3.032 20 30 CGEDLO C=CC1CC[NH+]([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000335959102 375572534 /nfs/dbraw/zinc/57/25/34/375572534.db2.gz IVOXSXRPCGBRMK-JTQLQIEISA-N 1 2 296.212 3.198 20 30 CGEDLO C=CC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000498284060 375623357 /nfs/dbraw/zinc/62/33/57/375623357.db2.gz BLDCEUJQBKTIJK-CYBMUJFWSA-N 1 2 294.826 3.243 20 30 CGEDLO C=CC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000498284060 375623362 /nfs/dbraw/zinc/62/33/62/375623362.db2.gz BLDCEUJQBKTIJK-CYBMUJFWSA-N 1 2 294.826 3.243 20 30 CGEDLO C=C(C)COCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000498800484 375628606 /nfs/dbraw/zinc/62/86/06/375628606.db2.gz NRYRWWCUVIZOMF-HNNXBMFYSA-N 1 2 283.362 3.435 20 30 CGEDLO C[C@]1(F)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000501413134 375638577 /nfs/dbraw/zinc/63/85/77/375638577.db2.gz XMWXUXXNCHXSPW-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@]1(F)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000501413134 375638584 /nfs/dbraw/zinc/63/85/84/375638584.db2.gz XMWXUXXNCHXSPW-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO C=CCCCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000520728533 375872313 /nfs/dbraw/zinc/87/23/13/375872313.db2.gz YDNMFUUNTWOXAW-JKSUJKDBSA-N 1 2 262.397 3.270 20 30 CGEDLO C=CCCCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000520728533 375872322 /nfs/dbraw/zinc/87/23/22/375872322.db2.gz YDNMFUUNTWOXAW-JKSUJKDBSA-N 1 2 262.397 3.270 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1C ZINC000336855975 376013339 /nfs/dbraw/zinc/01/33/39/376013339.db2.gz JPQHDEHARKRBID-QZTJIDSGSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nn1C ZINC000336855975 376013345 /nfs/dbraw/zinc/01/33/45/376013345.db2.gz JPQHDEHARKRBID-QZTJIDSGSA-N 1 2 294.402 3.000 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCOCC23CCCC3)cc1 ZINC000535677614 376048127 /nfs/dbraw/zinc/04/81/27/376048127.db2.gz YYUODUWFFIBILN-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCOCC23CCCC3)cc1 ZINC000535677614 376048130 /nfs/dbraw/zinc/04/81/30/376048130.db2.gz YYUODUWFFIBILN-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccccc1C(F)(F)F ZINC000338263442 376303441 /nfs/dbraw/zinc/30/34/41/376303441.db2.gz MXMMUJDFQDSRQB-LLVKDONJSA-N 1 2 286.297 3.176 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000338263442 376303450 /nfs/dbraw/zinc/30/34/50/376303450.db2.gz MXMMUJDFQDSRQB-LLVKDONJSA-N 1 2 286.297 3.176 20 30 CGEDLO CCc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)on1 ZINC000540976461 376410974 /nfs/dbraw/zinc/41/09/74/376410974.db2.gz FOPGQLCDFNQEKR-SNVBAGLBSA-N 1 2 273.311 3.099 20 30 CGEDLO CCn1c(CNc2cc(CC#N)cc[nH+]2)nc2ccccc21 ZINC000545219036 376801008 /nfs/dbraw/zinc/80/10/08/376801008.db2.gz LFFQHRZXTBFHCV-UHFFFAOYSA-N 1 2 291.358 3.129 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339775168 376843475 /nfs/dbraw/zinc/84/34/75/376843475.db2.gz ITUKMQYCTIBACU-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339775168 376843480 /nfs/dbraw/zinc/84/34/80/376843480.db2.gz ITUKMQYCTIBACU-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CC#N)CC1 ZINC000561607426 377234750 /nfs/dbraw/zinc/23/47/50/377234750.db2.gz NKWXEVVVGFKPQJ-NSHDSACASA-N 1 2 276.384 3.054 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000248607383 377361897 /nfs/dbraw/zinc/36/18/97/377361897.db2.gz GIEPRDXJDCYXRL-JKSUJKDBSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000248607383 377361907 /nfs/dbraw/zinc/36/19/07/377361907.db2.gz GIEPRDXJDCYXRL-JKSUJKDBSA-N 1 2 295.810 3.040 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000562866234 377366628 /nfs/dbraw/zinc/36/66/28/377366628.db2.gz MLVUCFVBLNALNT-DOMZBBRYSA-N 1 2 287.338 3.073 20 30 CGEDLO N#CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000562990315 377383671 /nfs/dbraw/zinc/38/36/71/377383671.db2.gz BOZKFWPZWYVLPW-LBPRGKRZSA-N 1 2 250.729 3.057 20 30 CGEDLO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](CC)CC#N)cc1 ZINC000568879752 377523683 /nfs/dbraw/zinc/52/36/83/377523683.db2.gz LFFRBTUCYRPIFS-ZFWWWQNUSA-N 1 2 287.407 3.420 20 30 CGEDLO CC1(C)CCC[N@H+](CCCC2CCOCC2)[C@@H]1C#N ZINC000572088041 377545695 /nfs/dbraw/zinc/54/56/95/377545695.db2.gz IMWQAKFVRROWHX-OAHLLOKOSA-N 1 2 264.413 3.207 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCC2CCOCC2)[C@@H]1C#N ZINC000572088041 377545703 /nfs/dbraw/zinc/54/57/03/377545703.db2.gz IMWQAKFVRROWHX-OAHLLOKOSA-N 1 2 264.413 3.207 20 30 CGEDLO COc1c(C)c[nH+]c(CSc2ccc(C#N)cn2)c1C ZINC000265619225 190194545 /nfs/dbraw/zinc/19/45/45/190194545.db2.gz QLLWAGCXVLXGIV-UHFFFAOYSA-N 1 2 285.372 3.266 20 30 CGEDLO N#Cc1ccc(OC2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000269705813 378256989 /nfs/dbraw/zinc/25/69/89/378256989.db2.gz NSUWTBOUXZELMT-UHFFFAOYSA-N 1 2 299.399 3.058 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270318372 378334901 /nfs/dbraw/zinc/33/49/01/378334901.db2.gz HTUCKKMCLAUMKT-RNCFNFMXSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270318372 378334905 /nfs/dbraw/zinc/33/49/05/378334905.db2.gz HTUCKKMCLAUMKT-RNCFNFMXSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000271119137 378455978 /nfs/dbraw/zinc/45/59/78/378455978.db2.gz GVEROLBWRMGOIA-VIFPVBQESA-N 1 2 274.336 3.327 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000271119137 378455982 /nfs/dbraw/zinc/45/59/82/378455982.db2.gz GVEROLBWRMGOIA-VIFPVBQESA-N 1 2 274.336 3.327 20 30 CGEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1Br ZINC000271131637 378459227 /nfs/dbraw/zinc/45/92/27/378459227.db2.gz OTSIKVJAKYVIKD-JTQLQIEISA-N 1 2 281.197 3.349 20 30 CGEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1Br ZINC000271131637 378459232 /nfs/dbraw/zinc/45/92/32/378459232.db2.gz OTSIKVJAKYVIKD-JTQLQIEISA-N 1 2 281.197 3.349 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)C1CC1 ZINC000274151402 378784879 /nfs/dbraw/zinc/78/48/79/378784879.db2.gz KYAQCXGWSPSHMW-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2ccccc2F)o1)C1CC1 ZINC000274151402 378784887 /nfs/dbraw/zinc/78/48/87/378784887.db2.gz KYAQCXGWSPSHMW-UHFFFAOYSA-N 1 2 270.307 3.078 20 30 CGEDLO C=CCOCCCN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000348028225 378758565 /nfs/dbraw/zinc/75/85/65/378758565.db2.gz CPAWYULCEYEIKS-OAHLLOKOSA-N 1 2 294.464 3.019 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638876407 378944544 /nfs/dbraw/zinc/94/45/44/378944544.db2.gz YQJNXQBQNAZHIV-CQSZACIVSA-N 1 2 296.361 3.073 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)C3(C#N)CCC3)c2)[nH+]c1C ZINC000371687614 379169722 /nfs/dbraw/zinc/16/97/22/379169722.db2.gz XPEHRAFRABIKNC-UHFFFAOYSA-N 1 2 294.358 3.326 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000373526395 379293405 /nfs/dbraw/zinc/29/34/05/379293405.db2.gz JPENBELXLXCSAT-OAHLLOKOSA-N 1 2 294.345 3.278 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000373526395 379293412 /nfs/dbraw/zinc/29/34/12/379293412.db2.gz JPENBELXLXCSAT-OAHLLOKOSA-N 1 2 294.345 3.278 20 30 CGEDLO Cc1[nH+]cccc1Cc1noc(C2(C#N)CCCCC2)n1 ZINC000351230727 379686501 /nfs/dbraw/zinc/68/65/01/379686501.db2.gz IQAXVVNDZZXHFC-UHFFFAOYSA-N 1 2 282.347 3.089 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000281044946 379815565 /nfs/dbraw/zinc/81/55/65/379815565.db2.gz JPESAXXUBJNWIA-CYBMUJFWSA-N 1 2 285.391 3.070 20 30 CGEDLO C=CCCCn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000640936141 379877428 /nfs/dbraw/zinc/87/74/28/379877428.db2.gz PKVAFDDKARKNPJ-UHFFFAOYSA-N 1 2 295.390 3.259 20 30 CGEDLO C=CCCCCn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000640939361 379878964 /nfs/dbraw/zinc/87/89/64/379878964.db2.gz NMBBHCAVXRRLND-UHFFFAOYSA-N 1 2 288.370 3.063 20 30 CGEDLO CC(C)([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000352827772 379988159 /nfs/dbraw/zinc/98/81/59/379988159.db2.gz ZMKIUDWFEPPQIC-UHFFFAOYSA-N 1 2 293.342 3.318 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000267846859 190358415 /nfs/dbraw/zinc/35/84/15/190358415.db2.gz DGZAZAIFGSYKPH-AWEZNQCLSA-N 1 2 288.391 3.086 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccc(F)c(Cl)c2)n1 ZINC000352855142 380008325 /nfs/dbraw/zinc/00/83/25/380008325.db2.gz SHHUTJZRQFAAER-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO C[C@H](CCC#N)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000411289364 380139698 /nfs/dbraw/zinc/13/96/98/380139698.db2.gz FFDBTHXJNPTXLT-OAHLLOKOSA-N 1 2 282.391 3.055 20 30 CGEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000411289364 380139702 /nfs/dbraw/zinc/13/97/02/380139702.db2.gz FFDBTHXJNPTXLT-OAHLLOKOSA-N 1 2 282.391 3.055 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)C(C)C ZINC000411183630 380134553 /nfs/dbraw/zinc/13/45/53/380134553.db2.gz JPRLEQTXVUMBGY-AWEZNQCLSA-N 1 2 292.398 3.069 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)C(C)C ZINC000411183630 380134554 /nfs/dbraw/zinc/13/45/54/380134554.db2.gz JPRLEQTXVUMBGY-AWEZNQCLSA-N 1 2 292.398 3.069 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414132709 380191038 /nfs/dbraw/zinc/19/10/38/380191038.db2.gz ZQLDAAZEWDAYNZ-CQSZACIVSA-N 1 2 297.402 3.245 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354034634 380290525 /nfs/dbraw/zinc/29/05/25/380290525.db2.gz TUKLITRHCXTPQJ-AWEZNQCLSA-N 1 2 270.376 3.375 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354034634 380290530 /nfs/dbraw/zinc/29/05/30/380290530.db2.gz TUKLITRHCXTPQJ-AWEZNQCLSA-N 1 2 270.376 3.375 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnc(-c2ccncc2)s1)C1CC1 ZINC000354044151 380296077 /nfs/dbraw/zinc/29/60/77/380296077.db2.gz GFBQJRWUOYZMPD-GFCCVEGCSA-N 1 2 298.415 3.329 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CC1 ZINC000354044151 380296081 /nfs/dbraw/zinc/29/60/81/380296081.db2.gz GFBQJRWUOYZMPD-GFCCVEGCSA-N 1 2 298.415 3.329 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000419282322 380793709 /nfs/dbraw/zinc/79/37/09/380793709.db2.gz IBSHAONNYUAWAQ-UHFFFAOYSA-N 1 2 288.366 3.231 20 30 CGEDLO C=CC[N@@H+](Cc1csc([C@@H](C)OCC)n1)C1CC1 ZINC000357530246 381196281 /nfs/dbraw/zinc/19/62/81/381196281.db2.gz OMCGEBZHFMAJKI-LLVKDONJSA-N 1 2 266.410 3.391 20 30 CGEDLO C=CC[N@H+](Cc1csc([C@@H](C)OCC)n1)C1CC1 ZINC000357530246 381196294 /nfs/dbraw/zinc/19/62/94/381196294.db2.gz OMCGEBZHFMAJKI-LLVKDONJSA-N 1 2 266.410 3.391 20 30 CGEDLO C=C(CC)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000358659036 381322270 /nfs/dbraw/zinc/32/22/70/381322270.db2.gz XXCRHRIYPMBKTO-UHFFFAOYSA-N 1 2 255.243 3.416 20 30 CGEDLO C=C(CC)C[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000358495172 381312359 /nfs/dbraw/zinc/31/23/59/381312359.db2.gz HKUFGXZCYZMHQT-LLVKDONJSA-N 1 2 269.414 3.282 20 30 CGEDLO C=C(CC)C[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000358495172 381312361 /nfs/dbraw/zinc/31/23/61/381312361.db2.gz HKUFGXZCYZMHQT-LLVKDONJSA-N 1 2 269.414 3.282 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000334845846 207176370 /nfs/dbraw/zinc/17/63/70/207176370.db2.gz VJMTXGRFZVMJNJ-LBPRGKRZSA-N 1 2 287.363 3.143 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000334845846 207176374 /nfs/dbraw/zinc/17/63/74/207176374.db2.gz VJMTXGRFZVMJNJ-LBPRGKRZSA-N 1 2 287.363 3.143 20 30 CGEDLO CCCCCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000732351105 572461166 /nfs/dbraw/zinc/46/11/66/572461166.db2.gz QABBAMWTBGQNJB-UHFFFAOYSA-N 1 2 260.337 3.462 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335241960 208010179 /nfs/dbraw/zinc/01/01/79/208010179.db2.gz UDIUWQUQLYBGAX-RHSMWYFYSA-N 1 2 270.376 3.122 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335241960 208010183 /nfs/dbraw/zinc/01/01/83/208010183.db2.gz UDIUWQUQLYBGAX-RHSMWYFYSA-N 1 2 270.376 3.122 20 30 CGEDLO C#CCCCCC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000286922203 392391058 /nfs/dbraw/zinc/39/10/58/392391058.db2.gz KVVRCSKYBJILDI-UHFFFAOYSA-N 1 2 275.348 3.106 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)c1 ZINC000289660107 392427903 /nfs/dbraw/zinc/42/79/03/392427903.db2.gz CRXCCKRZCFMFQV-MRXNPFEDSA-N 1 2 299.374 3.280 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c1 ZINC000289660107 392427912 /nfs/dbraw/zinc/42/79/12/392427912.db2.gz CRXCCKRZCFMFQV-MRXNPFEDSA-N 1 2 299.374 3.280 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)cc2c1OCC2)C[C@@H](C)C#N ZINC000136412847 392478244 /nfs/dbraw/zinc/47/82/44/392478244.db2.gz PCBJAUSAUPMRDQ-NSHDSACASA-N 1 2 278.783 3.256 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)cc2c1OCC2)C[C@@H](C)C#N ZINC000136412847 392478248 /nfs/dbraw/zinc/47/82/48/392478248.db2.gz PCBJAUSAUPMRDQ-NSHDSACASA-N 1 2 278.783 3.256 20 30 CGEDLO N#Cc1ccc(Nc2cccc(Oc3cc[nH+]cc3)c2)nn1 ZINC000301957463 392604827 /nfs/dbraw/zinc/60/48/27/392604827.db2.gz GBTPUQJCCVGQQN-UHFFFAOYSA-N 1 2 289.298 3.279 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000173546084 392626747 /nfs/dbraw/zinc/62/67/47/392626747.db2.gz TXDIKGPPRROBIK-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000173546084 392626750 /nfs/dbraw/zinc/62/67/50/392626750.db2.gz TXDIKGPPRROBIK-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000177039764 392659654 /nfs/dbraw/zinc/65/96/54/392659654.db2.gz PDTWYFXETLQPLW-OAHLLOKOSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000177039764 392659660 /nfs/dbraw/zinc/65/96/60/392659660.db2.gz PDTWYFXETLQPLW-OAHLLOKOSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000177338800 392661219 /nfs/dbraw/zinc/66/12/19/392661219.db2.gz QRBCOEILVSRHJA-UHFFFAOYSA-N 1 2 286.272 3.472 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn2ccccc12 ZINC000179456595 392702053 /nfs/dbraw/zinc/70/20/53/392702053.db2.gz NXDLEHJGMWWAJL-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn2ccccc12 ZINC000179456595 392702057 /nfs/dbraw/zinc/70/20/57/392702057.db2.gz NXDLEHJGMWWAJL-UHFFFAOYSA-N 1 2 270.380 3.096 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338353021 392910511 /nfs/dbraw/zinc/91/05/11/392910511.db2.gz WQJZBZAMPZAQJN-LBPRGKRZSA-N 1 2 280.375 3.062 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338353021 392910514 /nfs/dbraw/zinc/91/05/14/392910514.db2.gz WQJZBZAMPZAQJN-LBPRGKRZSA-N 1 2 280.375 3.062 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000338342576 392910995 /nfs/dbraw/zinc/91/09/95/392910995.db2.gz CPGVAGWAQSGMKJ-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000338342576 392911000 /nfs/dbraw/zinc/91/10/00/392911000.db2.gz CPGVAGWAQSGMKJ-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OC(F)F)c1)C1CC1 ZINC000338354653 392912554 /nfs/dbraw/zinc/91/25/54/392912554.db2.gz ZUOBJKGEJNQNJB-NSHDSACASA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC1 ZINC000338354653 392912558 /nfs/dbraw/zinc/91/25/58/392912558.db2.gz ZUOBJKGEJNQNJB-NSHDSACASA-N 1 2 280.318 3.412 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000338567581 392921197 /nfs/dbraw/zinc/92/11/97/392921197.db2.gz YIULWHRVDYXUPK-CQSZACIVSA-N 1 2 269.747 3.429 20 30 CGEDLO C=CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000338567581 392921202 /nfs/dbraw/zinc/92/12/02/392921202.db2.gz YIULWHRVDYXUPK-CQSZACIVSA-N 1 2 269.747 3.429 20 30 CGEDLO C[N@H+](CCOCCC#N)Cc1c(Cl)cccc1Cl ZINC000338937575 392936584 /nfs/dbraw/zinc/93/65/84/392936584.db2.gz ZWHIKBIHBCTLIT-UHFFFAOYSA-N 1 2 287.190 3.355 20 30 CGEDLO C[N@@H+](CCOCCC#N)Cc1c(Cl)cccc1Cl ZINC000338937575 392936589 /nfs/dbraw/zinc/93/65/89/392936589.db2.gz ZWHIKBIHBCTLIT-UHFFFAOYSA-N 1 2 287.190 3.355 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000411693325 392984255 /nfs/dbraw/zinc/98/42/55/392984255.db2.gz MFMHITYCHMVHMS-SWLSCSKDSA-N 1 2 264.319 3.388 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000411693325 392984262 /nfs/dbraw/zinc/98/42/62/392984262.db2.gz MFMHITYCHMVHMS-SWLSCSKDSA-N 1 2 264.319 3.388 20 30 CGEDLO C=CCOc1ccc(CNc2cc[nH+]c(C(C)C)n2)cc1 ZINC000343221912 393022885 /nfs/dbraw/zinc/02/28/85/393022885.db2.gz DNKFKANQCBJULU-UHFFFAOYSA-N 1 2 283.375 3.199 20 30 CGEDLO CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC000346131680 393076366 /nfs/dbraw/zinc/07/63/66/393076366.db2.gz BFBYSGVKEWUMSZ-UHFFFAOYSA-N 1 2 296.374 3.127 20 30 CGEDLO CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000346131680 393076371 /nfs/dbraw/zinc/07/63/71/393076371.db2.gz BFBYSGVKEWUMSZ-UHFFFAOYSA-N 1 2 296.374 3.127 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000348710365 393128908 /nfs/dbraw/zinc/12/89/08/393128908.db2.gz OQRKMTIOHFZKKW-UHFFFAOYSA-N 1 2 275.302 3.135 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccon1 ZINC000349240529 393141450 /nfs/dbraw/zinc/14/14/50/393141450.db2.gz MMVWEOBTFJIFEJ-NSHDSACASA-N 1 2 260.724 3.030 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 ZINC000274123605 393280448 /nfs/dbraw/zinc/28/04/48/393280448.db2.gz HEJAUOZEZIGFRK-UHFFFAOYSA-N 1 2 284.403 3.155 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)C1CC1 ZINC000274123605 393280454 /nfs/dbraw/zinc/28/04/54/393280454.db2.gz HEJAUOZEZIGFRK-UHFFFAOYSA-N 1 2 284.403 3.155 20 30 CGEDLO COc1cc(Br)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000359227269 393541128 /nfs/dbraw/zinc/54/11/28/393541128.db2.gz LAIVYRWUASMKKI-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO COc1cc(Br)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000359227269 393541136 /nfs/dbraw/zinc/54/11/36/393541136.db2.gz LAIVYRWUASMKKI-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@H](C)C#N ZINC000488327706 393487599 /nfs/dbraw/zinc/48/75/99/393487599.db2.gz MOZKUVMZQGSNNL-LLVKDONJSA-N 1 2 259.328 3.289 20 30 CGEDLO CC[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@H](C)C#N ZINC000488327706 393487605 /nfs/dbraw/zinc/48/76/05/393487605.db2.gz MOZKUVMZQGSNNL-LLVKDONJSA-N 1 2 259.328 3.289 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)CCCC2 ZINC000430098353 393522673 /nfs/dbraw/zinc/52/26/73/393522673.db2.gz JNHQAJYQGYENSQ-UHFFFAOYSA-N 1 2 254.377 3.467 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)CCCC2 ZINC000430098353 393522678 /nfs/dbraw/zinc/52/26/78/393522678.db2.gz JNHQAJYQGYENSQ-UHFFFAOYSA-N 1 2 254.377 3.467 20 30 CGEDLO C=CCOCCCSCc1cn2cccc(C)c2[nH+]1 ZINC000359152667 393538467 /nfs/dbraw/zinc/53/84/67/393538467.db2.gz JVZUUTFZEZZQJB-UHFFFAOYSA-N 1 2 276.405 3.469 20 30 CGEDLO Cc1[nH]c2ccc(Cn3nc(C#N)c4ccccc43)cc2[nH+]1 ZINC000432486851 393615809 /nfs/dbraw/zinc/61/58/09/393615809.db2.gz YYDMPXJQXKNLFX-UHFFFAOYSA-N 1 2 287.326 3.141 20 30 CGEDLO Cc1[nH]c2cc(Cn3nc(C#N)c4ccccc43)ccc2[nH+]1 ZINC000432486851 393615811 /nfs/dbraw/zinc/61/58/11/393615811.db2.gz YYDMPXJQXKNLFX-UHFFFAOYSA-N 1 2 287.326 3.141 20 30 CGEDLO N#Cc1c(Cl)cccc1SCCn1cc[nH+]c1 ZINC000360949075 393622142 /nfs/dbraw/zinc/62/21/42/393622142.db2.gz GIRWEHHNKURABU-UHFFFAOYSA-N 1 2 263.753 3.200 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000491725907 393698071 /nfs/dbraw/zinc/69/80/71/393698071.db2.gz CCIKIYXMIUZHIS-OAHLLOKOSA-N 1 2 256.736 3.199 20 30 CGEDLO C=CC1CC[NH+](Cc2c(F)cncc2Br)CC1 ZINC000667623775 542899639 /nfs/dbraw/zinc/89/96/39/542899639.db2.gz DQZURJWEGJWZHE-UHFFFAOYSA-N 1 2 299.187 3.381 20 30 CGEDLO Fc1cccc2c1C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000669941967 543135797 /nfs/dbraw/zinc/13/57/97/543135797.db2.gz ZDNRTZCPRSHLFH-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO Fc1cccc2c1C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000669941967 543135798 /nfs/dbraw/zinc/13/57/98/543135798.db2.gz ZDNRTZCPRSHLFH-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2cn[nH]c2C)cc1 ZINC000671764784 543188060 /nfs/dbraw/zinc/18/80/60/543188060.db2.gz OAUAYRSKIJYYJQ-GFCCVEGCSA-N 1 2 271.364 3.134 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000076071800 165109719 /nfs/dbraw/zinc/10/97/19/165109719.db2.gz HZISOTBBYZQLKN-AWEZNQCLSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000076071800 165109721 /nfs/dbraw/zinc/10/97/21/165109721.db2.gz HZISOTBBYZQLKN-AWEZNQCLSA-N 1 2 264.369 3.025 20 30 CGEDLO Cc1cccn2cc(CNc3ccc(C#N)cc3)[nH+]c12 ZINC000078503796 165134026 /nfs/dbraw/zinc/13/40/26/165134026.db2.gz QVEVZQNFIKDQEO-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccccc1C#N ZINC000285431519 196282594 /nfs/dbraw/zinc/28/25/94/196282594.db2.gz HKEQWVNBOMTXBO-UHFFFAOYSA-N 1 2 269.348 3.188 20 30 CGEDLO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000127504249 287289276 /nfs/dbraw/zinc/28/92/76/287289276.db2.gz KCXIQAGZEJZVLV-RYUDHWBXSA-N 1 2 284.363 3.476 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000044420172 175173645 /nfs/dbraw/zinc/17/36/45/175173645.db2.gz SBTREYRYFBEZED-UHFFFAOYSA-N 1 2 259.328 3.069 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000044420172 175173646 /nfs/dbraw/zinc/17/36/46/175173646.db2.gz SBTREYRYFBEZED-UHFFFAOYSA-N 1 2 259.328 3.069 20 30 CGEDLO Cc1ccc(C#N)c(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000071214930 176086332 /nfs/dbraw/zinc/08/63/32/176086332.db2.gz ISNLAVRIIQURNQ-UHFFFAOYSA-N 1 2 264.332 3.363 20 30 CGEDLO C=CCCOCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000680749576 543730973 /nfs/dbraw/zinc/73/09/73/543730973.db2.gz NBFPTSUOBLORBI-UHFFFAOYSA-N 1 2 296.330 3.015 20 30 CGEDLO C=C(C)CC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000681400212 543786337 /nfs/dbraw/zinc/78/63/37/543786337.db2.gz MOHJJRAICZZPCG-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(C)CC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000681400212 543786340 /nfs/dbraw/zinc/78/63/40/543786340.db2.gz MOHJJRAICZZPCG-ZDUSSCGKSA-N 1 2 261.369 3.440 20 30 CGEDLO N#CC1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000347499152 226168866 /nfs/dbraw/zinc/16/88/66/226168866.db2.gz ZFLKNNSRKCUAGG-INIZCTEOSA-N 1 2 263.344 3.064 20 30 CGEDLO C=CCc1cc(C[NH2+]C(C)(C)C(F)F)cc(OC)c1O ZINC000684413949 543997141 /nfs/dbraw/zinc/99/71/41/543997141.db2.gz MYXYCOILCYCRMG-UHFFFAOYSA-N 1 2 285.334 3.263 20 30 CGEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2CC(C)(C)C2)CCO1 ZINC000329128754 227315607 /nfs/dbraw/zinc/31/56/07/227315607.db2.gz ZRVQSJXNPURHBO-JSGCOSHPSA-N 1 2 291.395 3.033 20 30 CGEDLO C=CCOCCCNc1[nH+]ccc2c(OC)cccc21 ZINC000664385539 418947406 /nfs/dbraw/zinc/94/74/06/418947406.db2.gz WOWTZVXVMQERSW-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO C=CCC(C)(C)c1noc(Cc2c[nH+]ccc2C)n1 ZINC000664891669 419022268 /nfs/dbraw/zinc/02/22/68/419022268.db2.gz PJLPGBWENDHCPE-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(C2CC2)n1 ZINC000664571368 418980508 /nfs/dbraw/zinc/98/05/08/418980508.db2.gz FGDLYJOCAHGDLR-OKILXGFUSA-N 1 2 255.365 3.350 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Br)cnc1OC ZINC000659838588 419006375 /nfs/dbraw/zinc/00/63/75/419006375.db2.gz NCVBVQSWWQDVPU-UHFFFAOYSA-N 1 2 297.196 3.027 20 30 CGEDLO C=CC[N@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)COC ZINC000661247262 419244659 /nfs/dbraw/zinc/24/46/59/419244659.db2.gz MQMPRFDYJCUYJF-GFCCVEGCSA-N 1 2 282.453 3.464 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C(C)(C)C)n1)[C@H](C)COC ZINC000661247262 419244662 /nfs/dbraw/zinc/24/46/62/419244662.db2.gz MQMPRFDYJCUYJF-GFCCVEGCSA-N 1 2 282.453 3.464 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000336011845 228177770 /nfs/dbraw/zinc/17/77/70/228177770.db2.gz GAQBVYUMYRUJTO-UHFFFAOYSA-N 1 2 284.281 3.147 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000336225829 228217678 /nfs/dbraw/zinc/21/76/78/228217678.db2.gz HIGNYGSLIRKGSQ-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)c1nc(C)no1 ZINC000662288055 419385510 /nfs/dbraw/zinc/38/55/10/419385510.db2.gz UIJOUVAEKQQSFP-SNVBAGLBSA-N 1 2 263.366 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1nc(C)no1 ZINC000662288055 419385523 /nfs/dbraw/zinc/38/55/23/419385523.db2.gz UIJOUVAEKQQSFP-SNVBAGLBSA-N 1 2 263.366 3.189 20 30 CGEDLO C=C[C@H]1CCCCN1c1[nH+]ccc2c(N)cccc21 ZINC000663852617 419739523 /nfs/dbraw/zinc/73/95/23/419739523.db2.gz XUIJQPFIWITGDR-LBPRGKRZSA-N 1 2 253.349 3.362 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000058575459 260227463 /nfs/dbraw/zinc/22/74/63/260227463.db2.gz SMDFIHBGKVELHN-SNVBAGLBSA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000058575459 260227464 /nfs/dbraw/zinc/22/74/64/260227464.db2.gz SMDFIHBGKVELHN-SNVBAGLBSA-N 1 2 256.271 3.439 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000154226865 261089108 /nfs/dbraw/zinc/08/91/08/261089108.db2.gz ALMXMQOWPFRNCZ-BPGDOXJDSA-N 1 2 289.375 3.167 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCO[C@@H](C3CC3)C2)c1O ZINC000154226757 261089189 /nfs/dbraw/zinc/08/91/89/261089189.db2.gz ALMXMQOWPFRNCZ-ZKKVJJGYSA-N 1 2 289.375 3.167 20 30 CGEDLO N#CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000154258326 261089904 /nfs/dbraw/zinc/08/99/04/261089904.db2.gz VBMVTBRLMSHCIM-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO N#CCC[N@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000154258326 261089906 /nfs/dbraw/zinc/08/99/06/261089906.db2.gz VBMVTBRLMSHCIM-UHFFFAOYSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1C(F)(F)F ZINC000161727403 261257676 /nfs/dbraw/zinc/25/76/76/261257676.db2.gz GEORDUZLAKETKJ-LLVKDONJSA-N 1 2 286.297 3.318 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000161727403 261257678 /nfs/dbraw/zinc/25/76/78/261257678.db2.gz GEORDUZLAKETKJ-LLVKDONJSA-N 1 2 286.297 3.318 20 30 CGEDLO Cc1[nH+]cccc1NCc1ccc(N(C)CCC#N)cc1 ZINC000163324331 261312520 /nfs/dbraw/zinc/31/25/20/261312520.db2.gz ZZVAPEHXCPPFGI-UHFFFAOYSA-N 1 2 280.375 3.352 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000491813819 262088897 /nfs/dbraw/zinc/08/88/97/262088897.db2.gz ISKLZOXKXRMDQC-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000491813819 262088900 /nfs/dbraw/zinc/08/89/00/262088900.db2.gz ISKLZOXKXRMDQC-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)[C@H](C)CC#N ZINC000186935945 262117333 /nfs/dbraw/zinc/11/73/33/262117333.db2.gz AYKIVQOMAASBGW-CQSZACIVSA-N 1 2 295.386 3.491 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000186935945 262117335 /nfs/dbraw/zinc/11/73/35/262117335.db2.gz AYKIVQOMAASBGW-CQSZACIVSA-N 1 2 295.386 3.491 20 30 CGEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCC#N ZINC000189484786 262172480 /nfs/dbraw/zinc/17/24/80/262172480.db2.gz HXDQWQHYMQKHEJ-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCC#N ZINC000189484786 262172482 /nfs/dbraw/zinc/17/24/82/262172482.db2.gz HXDQWQHYMQKHEJ-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000364279980 262194341 /nfs/dbraw/zinc/19/43/41/262194341.db2.gz IFBZDAZEZIAMSJ-QZTJIDSGSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000364279980 262194343 /nfs/dbraw/zinc/19/43/43/262194343.db2.gz IFBZDAZEZIAMSJ-QZTJIDSGSA-N 1 2 295.361 3.492 20 30 CGEDLO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000272047916 263001811 /nfs/dbraw/zinc/00/18/11/263001811.db2.gz SQUDSODKHHMSNM-JSGCOSHPSA-N 1 2 278.421 3.450 20 30 CGEDLO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000272047916 263001812 /nfs/dbraw/zinc/00/18/12/263001812.db2.gz SQUDSODKHHMSNM-JSGCOSHPSA-N 1 2 278.421 3.450 20 30 CGEDLO Cc1cc(NCCCC#N)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000273388206 263016404 /nfs/dbraw/zinc/01/64/04/263016404.db2.gz UMFSFHCCWVSBKL-UHFFFAOYSA-N 1 2 297.318 3.076 20 30 CGEDLO CC(C)(O)CC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000274797737 263030215 /nfs/dbraw/zinc/03/02/15/263030215.db2.gz NZKWKUYNJSUEIN-GZTJUZNOSA-N 1 2 257.333 3.125 20 30 CGEDLO C[C@H](CCC#N)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000276303631 263035915 /nfs/dbraw/zinc/03/59/15/263035915.db2.gz KNQMCVLMJBSLNR-CYBMUJFWSA-N 1 2 268.364 3.201 20 30 CGEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000276303631 263035916 /nfs/dbraw/zinc/03/59/16/263035916.db2.gz KNQMCVLMJBSLNR-CYBMUJFWSA-N 1 2 268.364 3.201 20 30 CGEDLO CC(C)[N@@H+]1CC[C@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279335671 263054891 /nfs/dbraw/zinc/05/48/91/263054891.db2.gz UKUJNAUWTYKAMN-LSDHHAIUSA-N 1 2 295.789 3.116 20 30 CGEDLO CC(C)[N@H+]1CC[C@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279335671 263054892 /nfs/dbraw/zinc/05/48/92/263054892.db2.gz UKUJNAUWTYKAMN-LSDHHAIUSA-N 1 2 295.789 3.116 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000292122075 263128629 /nfs/dbraw/zinc/12/86/29/263128629.db2.gz IDDZSMXVYFJVSA-UHFFFAOYSA-N 1 2 291.782 3.070 20 30 CGEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000292122075 263128630 /nfs/dbraw/zinc/12/86/30/263128630.db2.gz IDDZSMXVYFJVSA-UHFFFAOYSA-N 1 2 291.782 3.070 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000292826181 263135241 /nfs/dbraw/zinc/13/52/41/263135241.db2.gz QOJCDFDNKOOCJH-UHFFFAOYSA-N 1 2 280.375 3.287 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000292826181 263135242 /nfs/dbraw/zinc/13/52/42/263135242.db2.gz QOJCDFDNKOOCJH-UHFFFAOYSA-N 1 2 280.375 3.287 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000292817635 263135397 /nfs/dbraw/zinc/13/53/97/263135397.db2.gz PNAVTWOKOIBPDH-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000292817635 263135398 /nfs/dbraw/zinc/13/53/98/263135398.db2.gz PNAVTWOKOIBPDH-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831502 263135689 /nfs/dbraw/zinc/13/56/89/263135689.db2.gz OUOOCVTVCQUUTQ-WCQYABFASA-N 1 2 283.350 3.357 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831502 263135690 /nfs/dbraw/zinc/13/56/90/263135690.db2.gz OUOOCVTVCQUUTQ-WCQYABFASA-N 1 2 283.350 3.357 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)Cc1c(F)cccc1F ZINC000293554656 263143112 /nfs/dbraw/zinc/14/31/12/263143112.db2.gz ZMFIPYUUXIDQSQ-UHFFFAOYSA-N 1 2 252.308 3.336 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1c(F)cccc1F ZINC000293554656 263143113 /nfs/dbraw/zinc/14/31/13/263143113.db2.gz ZMFIPYUUXIDQSQ-UHFFFAOYSA-N 1 2 252.308 3.336 20 30 CGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000341982679 263369964 /nfs/dbraw/zinc/36/99/64/263369964.db2.gz SHMNQOGIAWHJET-GFCCVEGCSA-N 1 2 294.345 3.278 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000128593003 264303490 /nfs/dbraw/zinc/30/34/90/264303490.db2.gz CAJXHDKJVUAHMI-AWEZNQCLSA-N 1 2 273.380 3.232 20 30 CGEDLO CC#CCCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281962954 264491529 /nfs/dbraw/zinc/49/15/29/264491529.db2.gz XVRBHYTXMBVDHZ-HNNXBMFYSA-N 1 2 287.407 3.150 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CC#Cc2ccc(F)cc2)n1 ZINC000285767359 264567661 /nfs/dbraw/zinc/56/76/61/264567661.db2.gz SQOMRPRMALWLOT-INIZCTEOSA-N 1 2 299.349 3.096 20 30 CGEDLO Cc1noc([C@@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)n1 ZINC000285767359 264567664 /nfs/dbraw/zinc/56/76/64/264567664.db2.gz SQOMRPRMALWLOT-INIZCTEOSA-N 1 2 299.349 3.096 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)s1)[C@H](CC)C(=O)OCC ZINC000191672610 270075682 /nfs/dbraw/zinc/07/56/82/270075682.db2.gz RLQSCOPEIPBFHM-CQSZACIVSA-N 1 2 294.420 3.173 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H](CC)C(=O)OCC ZINC000191672610 270075683 /nfs/dbraw/zinc/07/56/83/270075683.db2.gz RLQSCOPEIPBFHM-CQSZACIVSA-N 1 2 294.420 3.173 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469523 266120764 /nfs/dbraw/zinc/12/07/64/266120764.db2.gz FBCFQLZCSNKWTF-NEPJUHHUSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469523 266120766 /nfs/dbraw/zinc/12/07/66/266120766.db2.gz FBCFQLZCSNKWTF-NEPJUHHUSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1[nH]cc[nH+]1 ZINC000356762155 266171340 /nfs/dbraw/zinc/17/13/40/266171340.db2.gz PCPLGOHZRLJVNR-AWEZNQCLSA-N 1 2 296.374 3.092 20 30 CGEDLO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CC1 ZINC000357524173 266316087 /nfs/dbraw/zinc/31/60/87/266316087.db2.gz BDIMLINWCSTHLX-UHFFFAOYSA-N 1 2 288.420 3.041 20 30 CGEDLO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C1CC1 ZINC000357524173 266316091 /nfs/dbraw/zinc/31/60/91/266316091.db2.gz BDIMLINWCSTHLX-UHFFFAOYSA-N 1 2 288.420 3.041 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)C1CC1 ZINC000357534782 266317228 /nfs/dbraw/zinc/31/72/28/266317228.db2.gz XVFROGBMJYSZES-UHFFFAOYSA-N 1 2 283.375 3.119 20 30 CGEDLO C=CC[N@H+](Cc1nnc(Cc2ccccc2C)o1)C1CC1 ZINC000357534782 266317230 /nfs/dbraw/zinc/31/72/30/266317230.db2.gz XVFROGBMJYSZES-UHFFFAOYSA-N 1 2 283.375 3.119 20 30 CGEDLO C=CCOCCCSCc1[nH+]ccn1CC(F)(F)F ZINC000359138897 266540522 /nfs/dbraw/zinc/54/05/22/266540522.db2.gz IRFRGFYJLSYZCE-UHFFFAOYSA-N 1 2 294.342 3.271 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc4cc[nH]c43)n2c1 ZINC000547855197 288981476 /nfs/dbraw/zinc/98/14/76/288981476.db2.gz AVGDQJOOTIOACW-UHFFFAOYSA-N 1 2 287.326 3.299 20 30 CGEDLO C=CCC1([NH2+]CC(F)(F)Br)CCCC1 ZINC000852588419 637684057 /nfs/dbraw/zinc/68/40/57/637684057.db2.gz SGDBKKRXFRNQBY-UHFFFAOYSA-N 1 2 268.145 3.453 20 30 CGEDLO COc1cc(OC)c(OC)cc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185749986 327844061 /nfs/dbraw/zinc/84/40/61/327844061.db2.gz RQYBONALEMYBAN-VXGBXAGGSA-N 1 2 290.363 3.207 20 30 CGEDLO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1csnn1 ZINC000412040935 328102072 /nfs/dbraw/zinc/10/20/72/328102072.db2.gz MSKRAKDXPVKKOX-NSHDSACASA-N 1 2 286.404 3.190 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+]C[C@@H](C#N)CCC#N)co2)cc1 ZINC000571373911 328117555 /nfs/dbraw/zinc/11/75/55/328117555.db2.gz KTGKMPAEIUTYMO-CQSZACIVSA-N 1 2 294.358 3.183 20 30 CGEDLO CCc1cc(NCCCCC#N)nc(-c2ccncc2)[nH+]1 ZINC000264560037 328160294 /nfs/dbraw/zinc/16/02/94/328160294.db2.gz OGXLDXRWNFRYOE-UHFFFAOYSA-N 1 2 281.363 3.207 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2([C@@H](O)C(C)C)CC2)c1 ZINC000271824632 328197799 /nfs/dbraw/zinc/19/77/99/328197799.db2.gz POVCEGSSGNOLOZ-HKJBKDEOSA-N 1 2 291.391 3.007 20 30 CGEDLO C=C(C)C[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000535248853 328398053 /nfs/dbraw/zinc/39/80/53/328398053.db2.gz UPLDICVSBAVXCY-UHFFFAOYSA-N 1 2 268.763 3.177 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1nc2ccccc2n1CCC ZINC000127326912 328480152 /nfs/dbraw/zinc/48/01/52/328480152.db2.gz AMDBTFSLYRTTNF-UHFFFAOYSA-N 1 2 263.772 3.288 20 30 CGEDLO COc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000168915654 329062045 /nfs/dbraw/zinc/06/20/45/329062045.db2.gz XIJWIGGOIIVCGB-GWCFXTLKSA-N 1 2 264.756 3.130 20 30 CGEDLO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000193815781 329063229 /nfs/dbraw/zinc/06/32/29/329063229.db2.gz FQGRAWQOZVIDKK-UHFFFAOYSA-N 1 2 298.346 3.080 20 30 CGEDLO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000193815781 329063231 /nfs/dbraw/zinc/06/32/31/329063231.db2.gz FQGRAWQOZVIDKK-UHFFFAOYSA-N 1 2 298.346 3.080 20 30 CGEDLO Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1Oc1cc[nH+]cc1 ZINC000172207088 329083825 /nfs/dbraw/zinc/08/38/25/329083825.db2.gz AMPUWSLAOKDMHO-ZDUSSCGKSA-N 1 2 295.342 3.214 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1Cl ZINC000179859065 329212876 /nfs/dbraw/zinc/21/28/76/329212876.db2.gz JCGYBOQOAYGHRH-LBPRGKRZSA-N 1 2 281.783 3.126 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1Cl ZINC000179859065 329212877 /nfs/dbraw/zinc/21/28/77/329212877.db2.gz JCGYBOQOAYGHRH-LBPRGKRZSA-N 1 2 281.783 3.126 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459487753 329264530 /nfs/dbraw/zinc/26/45/30/329264530.db2.gz WBWLKMMLRTXLHS-SKDRFNHKSA-N 1 2 279.727 3.030 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)c1c[nH]c2ccccc12 ZINC000072592038 329858133 /nfs/dbraw/zinc/85/81/33/329858133.db2.gz WQAKNPFLOCRPHF-UHFFFAOYSA-N 1 2 254.333 3.025 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278531416 330117509 /nfs/dbraw/zinc/11/75/09/330117509.db2.gz FDWVVIGZXCEZAD-INIZCTEOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278531416 330117510 /nfs/dbraw/zinc/11/75/10/330117510.db2.gz FDWVVIGZXCEZAD-INIZCTEOSA-N 1 2 285.778 3.252 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000537318130 330432735 /nfs/dbraw/zinc/43/27/35/330432735.db2.gz KKDHNLHDIXQVLH-UKRRQHHQSA-N 1 2 261.365 3.235 20 30 CGEDLO CCN(CC)c1ccc(N[C@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000442848689 330786661 /nfs/dbraw/zinc/78/66/61/330786661.db2.gz SIMFBAYYISYLPF-STQMWFEESA-N 1 2 258.369 3.032 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459487750 331284658 /nfs/dbraw/zinc/28/46/58/331284658.db2.gz WBWLKMMLRTXLHS-BXKDBHETSA-N 1 2 279.727 3.030 20 30 CGEDLO CC1(C#N)C[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000459593200 331289729 /nfs/dbraw/zinc/28/97/29/331289729.db2.gz NYJFPYXQMZKBES-DOTOQJQBSA-N 1 2 254.377 3.342 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000481567468 331809359 /nfs/dbraw/zinc/80/93/59/331809359.db2.gz JSWBPEIYQNRBGM-RDJZCZTQSA-N 1 2 289.419 3.414 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C2CC2)s1)C1CCCCC1 ZINC000491787032 332349695 /nfs/dbraw/zinc/34/96/95/332349695.db2.gz VQDNIRSHTUCNTG-UHFFFAOYSA-N 1 2 275.421 3.183 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C2CC2)s1)C1CCCCC1 ZINC000491787032 332349697 /nfs/dbraw/zinc/34/96/97/332349697.db2.gz VQDNIRSHTUCNTG-UHFFFAOYSA-N 1 2 275.421 3.183 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000566049696 334618451 /nfs/dbraw/zinc/61/84/51/334618451.db2.gz JQMQSWNKJMKDJG-SECBINFHSA-N 1 2 293.342 3.338 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000513961312 333055236 /nfs/dbraw/zinc/05/52/36/333055236.db2.gz AKTXYTJDRGSKTN-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000513961312 333055237 /nfs/dbraw/zinc/05/52/37/333055237.db2.gz AKTXYTJDRGSKTN-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177251081 333056079 /nfs/dbraw/zinc/05/60/79/333056079.db2.gz KYEBPSQHCPBORM-OLZOCXBDSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177251081 333056080 /nfs/dbraw/zinc/05/60/80/333056080.db2.gz KYEBPSQHCPBORM-OLZOCXBDSA-N 1 2 297.320 3.166 20 30 CGEDLO C#CC[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000192233286 333233075 /nfs/dbraw/zinc/23/30/75/333233075.db2.gz DWLUEGMKNVAZBY-UHFFFAOYSA-N 1 2 260.337 3.014 20 30 CGEDLO C#CC[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000192233286 333233076 /nfs/dbraw/zinc/23/30/76/333233076.db2.gz DWLUEGMKNVAZBY-UHFFFAOYSA-N 1 2 260.337 3.014 20 30 CGEDLO CCS[C@@H](C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000542879244 333847467 /nfs/dbraw/zinc/84/74/67/333847467.db2.gz PKHWZBDYSCXBOH-NSHDSACASA-N 1 2 294.424 3.009 20 30 CGEDLO C=CC[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000548614780 334163720 /nfs/dbraw/zinc/16/37/20/334163720.db2.gz CXDCEABSXVOOMY-MRXNPFEDSA-N 1 2 280.371 3.419 20 30 CGEDLO N#CCCCOc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000345358210 335317759 /nfs/dbraw/zinc/31/77/59/335317759.db2.gz WHDRHCBHSLASQP-HNNXBMFYSA-N 1 2 282.347 3.123 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)nn1 ZINC000580768654 335964130 /nfs/dbraw/zinc/96/41/30/335964130.db2.gz MJWVZUKFKHEAEK-SNVBAGLBSA-N 1 2 294.761 3.107 20 30 CGEDLO CCCc1noc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000194540233 336029293 /nfs/dbraw/zinc/02/92/93/336029293.db2.gz YVRLYVDMXIEZIM-UHFFFAOYSA-N 1 2 296.374 3.058 20 30 CGEDLO CCCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000194540233 336029295 /nfs/dbraw/zinc/02/92/95/336029295.db2.gz YVRLYVDMXIEZIM-UHFFFAOYSA-N 1 2 296.374 3.058 20 30 CGEDLO C=CC[N@@H+](CCOC)[C@H](C)c1c(F)cccc1F ZINC000195000507 336042466 /nfs/dbraw/zinc/04/24/66/336042466.db2.gz PLUKBIZZPOAGPD-LLVKDONJSA-N 1 2 255.308 3.160 20 30 CGEDLO C=CC[N@H+](CCOC)[C@H](C)c1c(F)cccc1F ZINC000195000507 336042467 /nfs/dbraw/zinc/04/24/67/336042467.db2.gz PLUKBIZZPOAGPD-LLVKDONJSA-N 1 2 255.308 3.160 20 30 CGEDLO C[C@H]1C[C@H](Nc2cccc(F)c2C#N)c2[nH+]ccn21 ZINC000381068992 336048717 /nfs/dbraw/zinc/04/87/17/336048717.db2.gz UHBYNOIEGOIHNK-ZANVPECISA-N 1 2 256.284 3.012 20 30 CGEDLO Cc1ccc(C[NH2+]CC2(C#N)CC2)c(Br)c1 ZINC000381415385 336061886 /nfs/dbraw/zinc/06/18/86/336061886.db2.gz VWURGUZORWXOLG-UHFFFAOYSA-N 1 2 279.181 3.151 20 30 CGEDLO CSc1cc(C)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352830182 500873742 /nfs/dbraw/zinc/87/37/42/500873742.db2.gz BPCGDKCFOXVCAL-UHFFFAOYSA-N 1 2 289.429 3.335 20 30 CGEDLO C=C(Br)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183956179 518583588 /nfs/dbraw/zinc/58/35/88/518583588.db2.gz LAKINLFHBWLDQA-UHFFFAOYSA-N 1 2 275.215 3.185 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1 ZINC000191244062 534840967 /nfs/dbraw/zinc/84/09/67/534840967.db2.gz LVMOASHKVRLKBM-UHFFFAOYSA-N 1 2 284.407 3.221 20 30 CGEDLO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1 ZINC000191244062 534840970 /nfs/dbraw/zinc/84/09/70/534840970.db2.gz LVMOASHKVRLKBM-UHFFFAOYSA-N 1 2 284.407 3.221 20 30 CGEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1F ZINC000155658425 525284762 /nfs/dbraw/zinc/28/47/62/525284762.db2.gz GBBBJSZMDAAJCN-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO CCOC(=O)[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000352251195 527806983 /nfs/dbraw/zinc/80/69/83/527806983.db2.gz PMSSWQUECJFWJO-HNNXBMFYSA-N 1 2 288.391 3.210 20 30 CGEDLO CCN(C)c1ccc(CNc2ccccc2C#N)c[nH+]1 ZINC000438923986 527869634 /nfs/dbraw/zinc/86/96/34/527869634.db2.gz CACPBENHBMPCCV-UHFFFAOYSA-N 1 2 266.348 3.021 20 30 CGEDLO CCOC(=O)c1coc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000353631031 528323282 /nfs/dbraw/zinc/32/32/82/528323282.db2.gz ZFHOAXMSURAXLN-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CCOC(=O)c1coc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000353631031 528323286 /nfs/dbraw/zinc/32/32/86/528323286.db2.gz ZFHOAXMSURAXLN-UHFFFAOYSA-N 1 2 292.379 3.218 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2F)cc1F ZINC000727651165 571759449 /nfs/dbraw/zinc/75/94/49/571759449.db2.gz KZZXLISKHNDDDP-UHFFFAOYSA-N 1 2 275.302 3.477 20 30 CGEDLO Oc1ccc(/C=[NH+]/C2CC(c3ccccc3)C2)c(O)c1O ZINC000728226494 571796351 /nfs/dbraw/zinc/79/63/51/571796351.db2.gz QSNPQVCFZKBODK-VCHYOVAHSA-N 1 2 283.327 3.169 20 30 CGEDLO C=C(Br)C[N@H+]1CCc2c(C)cccc2C1 ZINC000729543587 571924153 /nfs/dbraw/zinc/92/41/53/571924153.db2.gz ZQAQZJLCDXRIMY-UHFFFAOYSA-N 1 2 266.182 3.262 20 30 CGEDLO C=C(Br)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000729543587 571924154 /nfs/dbraw/zinc/92/41/54/571924154.db2.gz ZQAQZJLCDXRIMY-UHFFFAOYSA-N 1 2 266.182 3.262 20 30 CGEDLO Cc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147175 571950954 /nfs/dbraw/zinc/95/09/54/571950954.db2.gz LVESYQSRMCWBGL-UHFFFAOYSA-N 1 2 261.328 3.411 20 30 CGEDLO Fc1cccc(F)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730147393 571951151 /nfs/dbraw/zinc/95/11/51/571951151.db2.gz DFAJZGZZDPHPBG-UHFFFAOYSA-N 1 2 283.281 3.381 20 30 CGEDLO CSc1ccc2c(c1)CC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000731159118 572398651 /nfs/dbraw/zinc/39/86/51/572398651.db2.gz NAYRHOGCMGLUNW-PKNBQFBNSA-N 1 2 270.357 3.344 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N)cc1 ZINC000743450486 572398761 /nfs/dbraw/zinc/39/87/61/572398761.db2.gz RQTYUEVPROGGBX-UHFFFAOYSA-N 1 2 260.728 3.153 20 30 CGEDLO Cc1[nH+]c(CN=Nc2ccc(Cl)nc2)c2ccccn12 ZINC000743450032 572398777 /nfs/dbraw/zinc/39/87/77/572398777.db2.gz DZJPTWIQQXHOSW-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO C=C1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000743848076 572407330 /nfs/dbraw/zinc/40/73/30/572407330.db2.gz UVUNUCGDEYRCOV-UHFFFAOYSA-N 1 2 273.311 3.028 20 30 CGEDLO O=C1c2cc(F)ccc2OC/C1=C\c1c[nH+]c2ccccn12 ZINC000740765800 572456333 /nfs/dbraw/zinc/45/63/33/572456333.db2.gz UJIKTZQQKACJKB-YRNVUSSQSA-N 1 2 294.285 3.132 20 30 CGEDLO C[C@@H]1CCC[C@H](CC/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000734366583 572649906 /nfs/dbraw/zinc/64/99/06/572649906.db2.gz YEPGRNSETUVRTD-SYRODZOTSA-N 1 2 277.364 3.439 20 30 CGEDLO Cc1cccc2c1C/C(=C/c1c[nH+]c3ccc(C#N)cn13)C2=O ZINC000736433441 572791445 /nfs/dbraw/zinc/79/14/45/572791445.db2.gz FRPZGCAJHKYIJE-AUWJEWJLSA-N 1 2 299.333 3.337 20 30 CGEDLO CCC(CC)[C@@H](CC/[NH+]=C\c1cccc(O)c1O)OC ZINC000746523855 572876540 /nfs/dbraw/zinc/87/65/40/572876540.db2.gz ZDUZZKDAPBRHFW-QJISPJEISA-N 1 2 279.380 3.358 20 30 CGEDLO CCCCCCCCC(=O)OCc1c[nH+]cn1C ZINC000747780123 572949042 /nfs/dbraw/zinc/94/90/42/572949042.db2.gz BSVQBHYGKUKOFA-UHFFFAOYSA-N 1 2 252.358 3.214 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(O)cc3)n21 ZINC000748997737 572987866 /nfs/dbraw/zinc/98/78/66/572987866.db2.gz BLIOPTKBTFGUPT-JXMROGBWSA-N 1 2 278.311 3.244 20 30 CGEDLO C=CCCCN(CC)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000890809673 617865867 /nfs/dbraw/zinc/86/58/67/617865867.db2.gz ZELXHPLSMGKZKD-OAHLLOKOSA-N 1 2 277.412 3.285 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000308679134 618286313 /nfs/dbraw/zinc/28/63/13/618286313.db2.gz XCVAKACUWBJEIK-QMMMGPOBSA-N 1 2 275.577 3.247 20 30 CGEDLO CC[C@@H]([NH2+]CC1(SC)CC1)c1cccc(C#N)c1O ZINC000926317735 618451801 /nfs/dbraw/zinc/45/18/01/618451801.db2.gz URCDPCKKULYDMI-CYBMUJFWSA-N 1 2 276.405 3.200 20 30 CGEDLO C#CCCOc1ccc(CNc2cccc[nH+]2)cc1 ZINC000157427178 618722297 /nfs/dbraw/zinc/72/22/97/618722297.db2.gz QOZIOBXXQZGFCM-UHFFFAOYSA-N 1 2 252.317 3.096 20 30 CGEDLO COc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)ccc1F ZINC000180322125 618873758 /nfs/dbraw/zinc/87/37/58/618873758.db2.gz GSVUCHANJNMQDK-SOFGYWHQSA-N 1 2 296.301 3.378 20 30 CGEDLO Cc1cc(F)c(C#N)c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000892961509 618964930 /nfs/dbraw/zinc/96/49/30/618964930.db2.gz DPSCVOSLDUCYGW-ZDUSSCGKSA-N 1 2 296.349 3.092 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1 ZINC000893194561 619024740 /nfs/dbraw/zinc/02/47/40/619024740.db2.gz ILFJSSJHMNGJDD-MRXNPFEDSA-N 1 2 280.375 3.353 20 30 CGEDLO C#CCCOc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1 ZINC000162944809 619234225 /nfs/dbraw/zinc/23/42/25/619234225.db2.gz BQJDVNBNYJHTQC-UHFFFAOYSA-N 1 2 295.386 3.162 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000107417978 619262592 /nfs/dbraw/zinc/26/25/92/619262592.db2.gz TWHNUHUHTYZTIB-GOSISDBHSA-N 1 2 280.371 3.136 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000107417978 619262595 /nfs/dbraw/zinc/26/25/95/619262595.db2.gz TWHNUHUHTYZTIB-GOSISDBHSA-N 1 2 280.371 3.136 20 30 CGEDLO CCn1cc(C[N@H+](C)C[C@@H](C)C#N)c(-c2ccccc2)n1 ZINC000893994512 619345462 /nfs/dbraw/zinc/34/54/62/619345462.db2.gz GTHYHMJWKZQOLJ-AWEZNQCLSA-N 1 2 282.391 3.161 20 30 CGEDLO CCn1cc(C[N@@H+](C)C[C@@H](C)C#N)c(-c2ccccc2)n1 ZINC000893994512 619345464 /nfs/dbraw/zinc/34/54/64/619345464.db2.gz GTHYHMJWKZQOLJ-AWEZNQCLSA-N 1 2 282.391 3.161 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894060511 619362097 /nfs/dbraw/zinc/36/20/97/619362097.db2.gz TZYLCENNTKUFJC-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894060511 619362100 /nfs/dbraw/zinc/36/21/00/619362100.db2.gz TZYLCENNTKUFJC-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO Cc1n[nH]c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000894085575 619366364 /nfs/dbraw/zinc/36/63/64/619366364.db2.gz POYGYRWKSXKICH-WMZOPIPTSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1n[nH]c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000894085575 619366368 /nfs/dbraw/zinc/36/63/68/619366368.db2.gz POYGYRWKSXKICH-WMZOPIPTSA-N 1 2 294.402 3.298 20 30 CGEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)Cc2ccccc2O1 ZINC000894592845 619586405 /nfs/dbraw/zinc/58/64/05/619586405.db2.gz NVGGQTUTFFCTBG-LBPRGKRZSA-N 1 2 284.384 3.403 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)Cc2ccccc2O1 ZINC000894592845 619586409 /nfs/dbraw/zinc/58/64/09/619586409.db2.gz NVGGQTUTFFCTBG-LBPRGKRZSA-N 1 2 284.384 3.403 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1[nH]nc(C)c1C)c1ccc(Cl)cc1 ZINC000894794557 619636094 /nfs/dbraw/zinc/63/60/94/619636094.db2.gz MWOPAUDDHUPTFM-CQSZACIVSA-N 1 2 273.767 3.144 20 30 CGEDLO Cc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1C#N ZINC000896880935 620083253 /nfs/dbraw/zinc/08/32/53/620083253.db2.gz VVXJEJZSNIITMZ-UHFFFAOYSA-N 1 2 286.404 3.131 20 30 CGEDLO CO[C@@H]1COCC[C@H]1C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000840706863 620085874 /nfs/dbraw/zinc/08/58/74/620085874.db2.gz LTGBGOQYFIGLAP-NRYNROEHSA-N 1 2 299.370 3.016 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CCOC2(CCC2)C1 ZINC000840708564 620095824 /nfs/dbraw/zinc/09/58/24/620095824.db2.gz YFMAVTMLOWJLKD-IGWPVBGESA-N 1 2 259.349 3.160 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000840714014 620152481 /nfs/dbraw/zinc/15/24/81/620152481.db2.gz WTJMCDMNSFICIJ-YSDQTKNFSA-N 1 2 277.364 3.023 20 30 CGEDLO C=CCOc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1 ZINC000897337043 620210730 /nfs/dbraw/zinc/21/07/30/620210730.db2.gz UPULVPDYJARHSK-UHFFFAOYSA-N 1 2 297.402 3.026 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000898218453 620489626 /nfs/dbraw/zinc/48/96/26/620489626.db2.gz HKXLBOZJSBYSQJ-JTQLQIEISA-N 1 2 252.745 3.075 20 30 CGEDLO CC(C)c1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901438270 620887795 /nfs/dbraw/zinc/88/77/95/620887795.db2.gz ODZNUEHAHUJLFQ-HJWRWDBZSA-N 1 2 254.333 3.440 20 30 CGEDLO Cc1[nH]c(/C=C2/COc3c(C)cc(C)cc3C2=O)[nH+]c1C ZINC000901463294 620894710 /nfs/dbraw/zinc/89/47/10/620894710.db2.gz MQGNAZCWZJPZKA-QPEQYQDCSA-N 1 2 282.343 3.302 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/COc2ccc(F)cc2C1=O ZINC000901473504 620898095 /nfs/dbraw/zinc/89/80/95/620898095.db2.gz GFHXCSVLXDJVGD-WZUFQYTHSA-N 1 2 286.306 3.262 20 30 CGEDLO Cc1[nH]c(/C=C/C(=O)c2cnn(C(C)C)c2C)[nH+]c1C ZINC000901495200 620900978 /nfs/dbraw/zinc/90/09/78/620900978.db2.gz BJSSCMBVGROXGC-VOTSOKGWSA-N 1 2 272.352 3.008 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc2c(s1)CCC2 ZINC000901485798 620909931 /nfs/dbraw/zinc/90/99/31/620909931.db2.gz PFRWTOACWCSZGG-SREVYHEPSA-N 1 2 272.373 3.349 20 30 CGEDLO Cn1c[nH+]cc1/C=C/C(=O)c1cc2c(s1)CCCC2 ZINC000901485356 620910160 /nfs/dbraw/zinc/91/01/60/620910160.db2.gz HPYRKIYWJVVUQI-VOTSOKGWSA-N 1 2 272.373 3.257 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2ncccc2C1=O ZINC000901542011 620920754 /nfs/dbraw/zinc/92/07/54/620920754.db2.gz FUZILILRAXDHJJ-WQLSENKSSA-N 1 2 267.332 3.072 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(-c2ccccc2)ccc1=O ZINC000902669935 621395879 /nfs/dbraw/zinc/39/58/79/621395879.db2.gz UWCHNBHPKBZPJO-UHFFFAOYSA-N 1 2 297.402 3.156 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(-c2ccccc2)ccc1=O ZINC000902669935 621395884 /nfs/dbraw/zinc/39/58/84/621395884.db2.gz UWCHNBHPKBZPJO-UHFFFAOYSA-N 1 2 297.402 3.156 20 30 CGEDLO C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000902878769 621481351 /nfs/dbraw/zinc/48/13/51/621481351.db2.gz LRXAVCMNHMHJEO-ZUZCIYMTSA-N 1 2 299.761 3.391 20 30 CGEDLO Cc1cc(Cl)nc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000902981130 621509936 /nfs/dbraw/zinc/50/99/36/621509936.db2.gz IHVZIDBWRJEJLV-LLVKDONJSA-N 1 2 286.766 3.161 20 30 CGEDLO CC(=NN[C@H](C)C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000905476418 622076604 /nfs/dbraw/zinc/07/66/04/622076604.db2.gz HIYVUKIBAWUNJL-LLVKDONJSA-N 1 2 296.296 3.137 20 30 CGEDLO CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057879822 622890832 /nfs/dbraw/zinc/89/08/32/622890832.db2.gz UATFCHFOMAEQJG-UHFFFAOYSA-N 1 2 299.418 3.158 20 30 CGEDLO C#CCOc1ccc(F)cc1NCc1cccc2[nH+]ccn21 ZINC000179428198 624656603 /nfs/dbraw/zinc/65/66/03/624656603.db2.gz WWLUXERSGRNEHO-UHFFFAOYSA-N 1 2 295.317 3.098 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835298576 634436925 /nfs/dbraw/zinc/43/69/25/634436925.db2.gz PALSJBAKGNYNJV-CYBMUJFWSA-N 1 2 270.332 3.053 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)cs1 ZINC000921861959 625915063 /nfs/dbraw/zinc/91/50/63/625915063.db2.gz GYPMWYPQJCZZGB-UHFFFAOYSA-N 1 2 286.404 3.221 20 30 CGEDLO C#CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000922164255 625977485 /nfs/dbraw/zinc/97/74/85/625977485.db2.gz SFTGFLAZZADHOV-UHFFFAOYSA-N 1 2 298.386 3.274 20 30 CGEDLO CC(=O)Nc1ccc(CC/[NH+]=C/c2ccccc2O)cc1 ZINC000103348643 626326442 /nfs/dbraw/zinc/32/64/42/626326442.db2.gz SHODLSOHDSPULU-LDADJPATSA-N 1 2 282.343 3.012 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751925761 626411553 /nfs/dbraw/zinc/41/15/53/626411553.db2.gz QIERRUPMNDNIBX-TXEJJXNPSA-N 1 2 292.452 3.023 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751925761 626411556 /nfs/dbraw/zinc/41/15/56/626411556.db2.gz QIERRUPMNDNIBX-TXEJJXNPSA-N 1 2 292.452 3.023 20 30 CGEDLO COc1ccc(F)cc1C[N@H+](CCC#N)CC(C)C ZINC000755672415 626636022 /nfs/dbraw/zinc/63/60/22/626636022.db2.gz ZKSPSRAZDMAIHG-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO COc1ccc(F)cc1C[N@@H+](CCC#N)CC(C)C ZINC000755672415 626636025 /nfs/dbraw/zinc/63/60/25/626636025.db2.gz ZKSPSRAZDMAIHG-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO C#CCCNc1[nH+]cccc1OCc1ccccc1 ZINC000760542537 626977460 /nfs/dbraw/zinc/97/74/60/626977460.db2.gz UHCSKZSOSQGXHN-UHFFFAOYSA-N 1 2 252.317 3.096 20 30 CGEDLO O=C(C=Cc1c[nH+]c2ccccn12)c1c[nH]c2ncccc12 ZINC000761811131 627062256 /nfs/dbraw/zinc/06/22/56/627062256.db2.gz CSMBJOIIJPYYRU-SREVYHEPSA-N 1 2 288.310 3.107 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762138138 627093771 /nfs/dbraw/zinc/09/37/71/627093771.db2.gz BRUGYFFKXLPQND-GFCCVEGCSA-N 1 2 292.452 3.131 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1=S ZINC000762138138 627093773 /nfs/dbraw/zinc/09/37/73/627093773.db2.gz BRUGYFFKXLPQND-GFCCVEGCSA-N 1 2 292.452 3.131 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)c(F)c1 ZINC000765613667 627263147 /nfs/dbraw/zinc/26/31/47/627263147.db2.gz WNSCQDPLEUALKX-ONEGZZNKSA-N 1 2 250.660 3.098 20 30 CGEDLO C=CC[N@@H+](Cc1nc([C@H](C)SCC)no1)C(C)C ZINC000766019386 627287487 /nfs/dbraw/zinc/28/74/87/627287487.db2.gz IXSIZTBCEIXUFE-NSHDSACASA-N 1 2 269.414 3.280 20 30 CGEDLO C=CC[N@H+](Cc1nc([C@H](C)SCC)no1)C(C)C ZINC000766019386 627287489 /nfs/dbraw/zinc/28/74/89/627287489.db2.gz IXSIZTBCEIXUFE-NSHDSACASA-N 1 2 269.414 3.280 20 30 CGEDLO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000769570977 627567359 /nfs/dbraw/zinc/56/73/59/627567359.db2.gz VXCIKPXNFFQVAT-UHFFFAOYSA-N 1 2 278.359 3.460 20 30 CGEDLO C#CCOc1cc(F)ccc1NCc1cccc2[nH+]ccn21 ZINC000769693020 627573444 /nfs/dbraw/zinc/57/34/44/627573444.db2.gz YCIFXGRLLVRKGF-UHFFFAOYSA-N 1 2 295.317 3.098 20 30 CGEDLO Cc1ccc(C)c2c1CC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000769746892 627575926 /nfs/dbraw/zinc/57/59/26/627575926.db2.gz QCRONVVNBBKFQB-FMIVXFBMSA-N 1 2 252.317 3.239 20 30 CGEDLO N#Cc1cccc(CO[NH+]=C(N)Cc2ccccc2Cl)c1 ZINC000770693227 627638140 /nfs/dbraw/zinc/63/81/40/627638140.db2.gz GBHYRTRRMKLHIJ-UHFFFAOYSA-N 1 2 299.761 3.453 20 30 CGEDLO Cc1ccccc1C(N)=[NH+]OCCCC(C)(C)C#N ZINC000771182574 627688901 /nfs/dbraw/zinc/68/89/01/627688901.db2.gz WUZNWLGUMDCVII-UHFFFAOYSA-N 1 2 259.353 3.172 20 30 CGEDLO C=CC(C)(C)COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000835722866 634611094 /nfs/dbraw/zinc/61/10/94/634611094.db2.gz YQOQEBHFCVPTGT-UHFFFAOYSA-N 1 2 298.386 3.229 20 30 CGEDLO C=CCC[C@@H](C(=O)OCCn1cc[nH+]c1)c1ccccc1 ZINC000778553701 628357210 /nfs/dbraw/zinc/35/72/10/628357210.db2.gz XNNRBZGUMQRPLO-MRXNPFEDSA-N 1 2 284.359 3.176 20 30 CGEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccnc1 ZINC000783696058 628740735 /nfs/dbraw/zinc/74/07/35/628740735.db2.gz DINSZYAPIHRZAX-ONEGZZNKSA-N 1 2 281.340 3.225 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C2\CCc3ccccc3C2=O)s1 ZINC000794689796 629568229 /nfs/dbraw/zinc/56/82/29/629568229.db2.gz DXXWTSGDLVRJJB-UKTHLTGXSA-N 1 2 298.411 3.417 20 30 CGEDLO C=C(C)CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000795217806 629646750 /nfs/dbraw/zinc/64/67/50/629646750.db2.gz QYRSRNSMLJKTJY-UHFFFAOYSA-N 1 2 283.169 3.052 20 30 CGEDLO CCCCCCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000864637539 629881744 /nfs/dbraw/zinc/88/17/44/629881744.db2.gz CDBUDZNSVOOTFZ-UHFFFAOYSA-N 1 2 275.400 3.274 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2(COC)CCC2)c(O)c1 ZINC000800720238 630295393 /nfs/dbraw/zinc/29/53/93/630295393.db2.gz BBWJDGMDVVMBTI-LICLKQGHSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)no1 ZINC000806556676 630566273 /nfs/dbraw/zinc/56/62/73/630566273.db2.gz XHECAFICCSIBQK-IHWYPQMZSA-N 1 2 285.328 3.126 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@](C)(CC)CC1=O ZINC000808139389 630624691 /nfs/dbraw/zinc/62/46/91/630624691.db2.gz GAACXFWYZBVIPT-GOSISDBHSA-N 1 2 286.419 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@](C)(CC)CC1=O ZINC000808139389 630624693 /nfs/dbraw/zinc/62/46/93/630624693.db2.gz GAACXFWYZBVIPT-GOSISDBHSA-N 1 2 286.419 3.281 20 30 CGEDLO NC(=[NH+]OC[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000812303797 631236677 /nfs/dbraw/zinc/23/66/77/631236677.db2.gz FPYDFUGNYILYRC-HOCLYGCPSA-N 1 2 284.334 3.266 20 30 CGEDLO Fc1ccccc1NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000812460164 631263256 /nfs/dbraw/zinc/26/32/56/631263256.db2.gz MCGVFGJXQBSYOZ-UHFFFAOYSA-N 1 2 280.306 3.457 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc(OC)c1F)c1ccc(F)cc1 ZINC000812792983 631312312 /nfs/dbraw/zinc/31/23/12/631312312.db2.gz KSAZDKDTRGWWEK-HNNXBMFYSA-N 1 2 287.309 3.438 20 30 CGEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]OC2CCCC2)C1 ZINC000814893963 631668675 /nfs/dbraw/zinc/66/86/75/631668675.db2.gz GHSNWJQLHPBAEB-UHFFFAOYSA-N 1 2 279.409 3.361 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000815076498 631711399 /nfs/dbraw/zinc/71/13/99/631711399.db2.gz SCYDELPZQWYLKC-SWLSCSKDSA-N 1 2 284.359 3.090 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000815076498 631711406 /nfs/dbraw/zinc/71/14/06/631711406.db2.gz SCYDELPZQWYLKC-SWLSCSKDSA-N 1 2 284.359 3.090 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cc(Cl)c(F)cc1O ZINC000816491270 631991926 /nfs/dbraw/zinc/99/19/26/631991926.db2.gz GLWQNMOIKILZQX-UHFFFAOYSA-N 1 2 270.735 3.309 20 30 CGEDLO C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866249539 633044387 /nfs/dbraw/zinc/04/43/87/633044387.db2.gz LCCIWPZRMSALEG-ZIAGYGMSSA-N 1 2 296.370 3.382 20 30 CGEDLO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269194 633054280 /nfs/dbraw/zinc/05/42/80/633054280.db2.gz OXKQWOCYMWDQRI-MNOVXSKESA-N 1 2 299.374 3.151 20 30 CGEDLO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866275825 633060007 /nfs/dbraw/zinc/06/00/07/633060007.db2.gz IESBPXYAGDRLHB-CYBMUJFWSA-N 1 2 290.407 3.103 20 30 CGEDLO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000866312649 633078270 /nfs/dbraw/zinc/07/82/70/633078270.db2.gz PNLWDSYLSXCABY-SNVBAGLBSA-N 1 2 280.318 3.492 20 30 CGEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1nccs1 ZINC000866337991 633086563 /nfs/dbraw/zinc/08/65/63/633086563.db2.gz NHLZBSATYKINOF-QWRGUYRKSA-N 1 2 287.388 3.175 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cccc(C#N)c1O ZINC000866366149 633103371 /nfs/dbraw/zinc/10/33/71/633103371.db2.gz KJZLBQSSTNCPDM-CYBMUJFWSA-N 1 2 295.386 3.287 20 30 CGEDLO Cc1cccnc1CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866366755 633105077 /nfs/dbraw/zinc/10/50/77/633105077.db2.gz BEYRUUNFFTYIFK-CQSZACIVSA-N 1 2 295.386 3.251 20 30 CGEDLO N#CCc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866381284 633112736 /nfs/dbraw/zinc/11/27/36/633112736.db2.gz PLKKQQRHZDLOSX-SJLPKXTDSA-N 1 2 296.345 3.314 20 30 CGEDLO C[C@@H]([NH2+]CCC1SCCS1)c1cccc(C#N)c1O ZINC000866391736 633119604 /nfs/dbraw/zinc/11/96/04/633119604.db2.gz OOHFEFWALHWBOH-SNVBAGLBSA-N 1 2 294.445 3.111 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cnc2c(F)cccc2c1 ZINC000876563438 634859069 /nfs/dbraw/zinc/85/90/69/634859069.db2.gz HALLGTADVFDUNR-UHFFFAOYSA-N 1 2 257.312 3.109 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cnc2c(F)cccc2c1 ZINC000876563438 634859070 /nfs/dbraw/zinc/85/90/70/634859070.db2.gz HALLGTADVFDUNR-UHFFFAOYSA-N 1 2 257.312 3.109 20 30 CGEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)ccc1F ZINC000122519314 633425584 /nfs/dbraw/zinc/42/55/84/633425584.db2.gz LLOJPLJJQXZRAH-SOFGYWHQSA-N 1 2 296.301 3.378 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000826861301 633437821 /nfs/dbraw/zinc/43/78/21/633437821.db2.gz DRIGMOJRGSQFAS-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000826861301 633437822 /nfs/dbraw/zinc/43/78/22/633437822.db2.gz DRIGMOJRGSQFAS-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO Cc1ccc(N(CCC#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845320132 636022283 /nfs/dbraw/zinc/02/22/83/636022283.db2.gz LCQMCSGAQALCHH-OAHLLOKOSA-N 1 2 296.374 3.090 20 30 CGEDLO CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000831171122 633923366 /nfs/dbraw/zinc/92/33/66/633923366.db2.gz BVPXVWJXFFAIPG-ZIAGYGMSSA-N 1 2 277.412 3.000 20 30 CGEDLO C[C@H](CCC#N)C[NH2+]c1ccc2c(c1)CCCN2C ZINC000877159863 635003187 /nfs/dbraw/zinc/00/31/87/635003187.db2.gz NWMNDSFFKDKARQ-CYBMUJFWSA-N 1 2 257.381 3.421 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877480266 635053133 /nfs/dbraw/zinc/05/31/33/635053133.db2.gz PPRSPUVZARUZPH-VIFPVBQESA-N 1 2 286.253 3.067 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877480266 635053141 /nfs/dbraw/zinc/05/31/41/635053141.db2.gz PPRSPUVZARUZPH-VIFPVBQESA-N 1 2 286.253 3.067 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](CC(=C)Cl)C(=O)OCC ZINC000877672201 635141001 /nfs/dbraw/zinc/14/10/01/635141001.db2.gz YONJDEWLWNPEJL-NEPJUHHUSA-N 1 2 259.777 3.005 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]CCC(C)(C)SC)C(=O)OCC ZINC000877671928 635141426 /nfs/dbraw/zinc/14/14/26/635141426.db2.gz RXNLBBPRYFDWKU-NSHDSACASA-N 1 2 293.860 3.182 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CC=C(C)CC1)C(=O)OCC ZINC000877671852 635141432 /nfs/dbraw/zinc/14/14/32/635141432.db2.gz QEPKRIMWCHXHRM-STQMWFEESA-N 1 2 271.788 3.149 20 30 CGEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1ncc(Cl)s1 ZINC000877704965 635156481 /nfs/dbraw/zinc/15/64/81/635156481.db2.gz YQSBJKOCHYBJKX-UHFFFAOYSA-N 1 2 291.807 3.343 20 30 CGEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1ncc(Cl)s1 ZINC000877704965 635156487 /nfs/dbraw/zinc/15/64/87/635156487.db2.gz YQSBJKOCHYBJKX-UHFFFAOYSA-N 1 2 291.807 3.343 20 30 CGEDLO Cc1cccc2c1C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)C2 ZINC000841488342 635186788 /nfs/dbraw/zinc/18/67/88/635186788.db2.gz NBCRGJGLNYMHFK-MDWZMJQESA-N 1 2 298.411 3.336 20 30 CGEDLO CC([NH2+]Nc1oc(C(C)C)nc1C#N)=C1CC1(F)F ZINC000841622619 635199324 /nfs/dbraw/zinc/19/93/24/635199324.db2.gz ZFKGMSLQTNTNLK-MRVPVSSYSA-N 1 2 268.267 3.113 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000841760280 635232843 /nfs/dbraw/zinc/23/28/43/635232843.db2.gz DNMXIKGCZMGOEN-SJORKVTESA-N 1 2 292.386 3.326 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000841898279 635250162 /nfs/dbraw/zinc/25/01/62/635250162.db2.gz LPSXZXLZJGUQEV-UHFFFAOYSA-N 1 2 279.727 3.032 20 30 CGEDLO C#CCCCCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000877980352 635303699 /nfs/dbraw/zinc/30/36/99/635303699.db2.gz JKLMAGHQUIJLIX-AWEZNQCLSA-N 1 2 275.396 3.353 20 30 CGEDLO C#CCCCCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000877980352 635303709 /nfs/dbraw/zinc/30/37/09/635303709.db2.gz JKLMAGHQUIJLIX-AWEZNQCLSA-N 1 2 275.396 3.353 20 30 CGEDLO C=CC(C)(C)CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000878014097 635319331 /nfs/dbraw/zinc/31/93/31/635319331.db2.gz OPNRKWANZUBYLE-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)cc(=O)oc2c1 ZINC000879310025 635752032 /nfs/dbraw/zinc/75/20/32/635752032.db2.gz KFLWXSIWMJGOAW-CJNGLKHVSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)cc(=O)oc2c1 ZINC000879310025 635752037 /nfs/dbraw/zinc/75/20/37/635752037.db2.gz KFLWXSIWMJGOAW-CJNGLKHVSA-N 1 2 296.370 3.226 20 30 CGEDLO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000880000812 635895420 /nfs/dbraw/zinc/89/54/20/635895420.db2.gz NUOFOTTUNAILQX-CYBMUJFWSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000880000812 635895422 /nfs/dbraw/zinc/89/54/22/635895422.db2.gz NUOFOTTUNAILQX-CYBMUJFWSA-N 1 2 286.272 3.472 20 30 CGEDLO C#CCCOc1ccc(CNc2cc(COC)cc[nH+]2)cc1 ZINC000844707512 635956391 /nfs/dbraw/zinc/95/63/91/635956391.db2.gz KYSGWJFJLLFBHY-UHFFFAOYSA-N 1 2 296.370 3.242 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000845272201 636018974 /nfs/dbraw/zinc/01/89/74/636018974.db2.gz NLQSLDIQPPDMNE-LBPRGKRZSA-N 1 2 282.347 3.182 20 30 CGEDLO C=CCCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845286079 636020439 /nfs/dbraw/zinc/02/04/39/636020439.db2.gz UEJTUKGJPJKNLV-OLZOCXBDSA-N 1 2 250.342 3.122 20 30 CGEDLO C=CCC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000845493569 636040127 /nfs/dbraw/zinc/04/01/27/636040127.db2.gz KOOHFHJGWUJXHI-OCCSQVGLSA-N 1 2 262.353 3.122 20 30 CGEDLO C=CCCC[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845500069 636040371 /nfs/dbraw/zinc/04/03/71/636040371.db2.gz HMTPATLRWGFGBT-ZDUSSCGKSA-N 1 2 276.380 3.050 20 30 CGEDLO C=CC[C@H]1CC[C@H]([NH2+]c2ccc(N(C)CCO)cc2)C1 ZINC000845917872 636117869 /nfs/dbraw/zinc/11/78/69/636117869.db2.gz XPEJHCOEBGMYIG-HOCLYGCPSA-N 1 2 274.408 3.272 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC1(Br)CC1 ZINC000846810929 636248295 /nfs/dbraw/zinc/24/82/95/636248295.db2.gz ISNITJVGNINEPH-UHFFFAOYSA-N 1 2 273.218 3.176 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC1(Br)CC1 ZINC000846810929 636248301 /nfs/dbraw/zinc/24/83/01/636248301.db2.gz ISNITJVGNINEPH-UHFFFAOYSA-N 1 2 273.218 3.176 20 30 CGEDLO C=CCCC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000882235617 636294393 /nfs/dbraw/zinc/29/43/93/636294393.db2.gz TXRAXQWGKTWJET-QGZVFWFLSA-N 1 2 297.402 3.176 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000846991235 636302652 /nfs/dbraw/zinc/30/26/52/636302652.db2.gz HCXJDRJRTOSYBX-XJKSGUPXSA-N 1 2 295.386 3.449 20 30 CGEDLO C[C@@H](CC(=O)Nc1ccc(C2CC2)c(C#N)c1)n1cc[nH+]c1 ZINC000882310298 636310041 /nfs/dbraw/zinc/31/00/41/636310041.db2.gz YZBIHRBXMAFQIZ-LBPRGKRZSA-N 1 2 294.358 3.222 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000847024057 636315185 /nfs/dbraw/zinc/31/51/85/636315185.db2.gz HHEZTNNCNHVTND-GFCCVEGCSA-N 1 2 291.778 3.093 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000847024057 636315189 /nfs/dbraw/zinc/31/51/89/636315189.db2.gz HHEZTNNCNHVTND-GFCCVEGCSA-N 1 2 291.778 3.093 20 30 CGEDLO c1cn(CCCNN=C2CCC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000848418194 636572398 /nfs/dbraw/zinc/57/23/98/636572398.db2.gz KYABFXFYELVWFD-QGZVFWFLSA-N 1 2 296.418 3.262 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000883399326 636739509 /nfs/dbraw/zinc/73/95/09/636739509.db2.gz JPKOLXFYZSTEME-MNOVXSKESA-N 1 2 253.292 3.003 20 30 CGEDLO Cc1noc(C)c1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000134979260 637060388 /nfs/dbraw/zinc/06/03/88/637060388.db2.gz IJPIYLKAARSQNW-UHFFFAOYSA-N 1 2 288.778 3.428 20 30 CGEDLO Cc1noc(C)c1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000134979260 637060399 /nfs/dbraw/zinc/06/03/99/637060399.db2.gz IJPIYLKAARSQNW-UHFFFAOYSA-N 1 2 288.778 3.428 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(-c2ccccc2)no1 ZINC000852098337 637591283 /nfs/dbraw/zinc/59/12/83/637591283.db2.gz KURGMASLWKVCKS-LRDDRELGSA-N 1 2 269.348 3.189 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000852319461 637632792 /nfs/dbraw/zinc/63/27/92/637632792.db2.gz NGSYXQTXLQWVJJ-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000852319461 637632798 /nfs/dbraw/zinc/63/27/98/637632798.db2.gz NGSYXQTXLQWVJJ-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000852329293 637636618 /nfs/dbraw/zinc/63/66/18/637636618.db2.gz XRLYTGRAZRNUEG-RDJZCZTQSA-N 1 2 267.376 3.047 20 30 CGEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000852329293 637636623 /nfs/dbraw/zinc/63/66/23/637636623.db2.gz XRLYTGRAZRNUEG-RDJZCZTQSA-N 1 2 267.376 3.047 20 30 CGEDLO C#Cc1cccnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000853185994 637776418 /nfs/dbraw/zinc/77/64/18/637776418.db2.gz OJEQVFOOLLFTIQ-UHFFFAOYSA-N 1 2 292.386 3.060 20 30 CGEDLO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1F)=C1CC1(F)F ZINC000853396312 637834942 /nfs/dbraw/zinc/83/49/42/637834942.db2.gz FFPJWSXTYKNIFH-QMMMGPOBSA-N 1 2 273.214 3.177 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)Cc1ccncc1 ZINC000853413598 637839262 /nfs/dbraw/zinc/83/92/62/637839262.db2.gz RPLHLRLXMBQPRJ-OAHLLOKOSA-N 1 2 295.386 3.312 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ncccc1F ZINC000853456867 637847735 /nfs/dbraw/zinc/84/77/35/637847735.db2.gz SUTLJCORWYDPOV-UHFFFAOYSA-N 1 2 285.322 3.020 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000853536960 637864469 /nfs/dbraw/zinc/86/44/69/637864469.db2.gz LBJLCUUGTDITFA-NSHDSACASA-N 1 2 273.302 3.148 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000853536960 637864472 /nfs/dbraw/zinc/86/44/72/637864472.db2.gz LBJLCUUGTDITFA-NSHDSACASA-N 1 2 273.302 3.148 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1coc(CC)n1 ZINC000853669988 637887590 /nfs/dbraw/zinc/88/75/90/637887590.db2.gz PZOKHEDNFPJAJT-UHFFFAOYSA-N 1 2 285.347 3.036 20 30 CGEDLO CCOCCCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000924710659 638392224 /nfs/dbraw/zinc/39/22/24/638392224.db2.gz OMAVJKGCHWRAFX-OAHLLOKOSA-N 1 2 276.380 3.121 20 30 CGEDLO CC[C@H]([NH2+]CCc1nccs1)c1cccc(C#N)c1O ZINC000924877172 638417724 /nfs/dbraw/zinc/41/77/24/638417724.db2.gz QBIVNPLQGUUQJL-ZDUSSCGKSA-N 1 2 287.388 3.004 20 30 CGEDLO N#CCC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000857857103 638581911 /nfs/dbraw/zinc/58/19/11/638581911.db2.gz AAKAZNHXDKYNOG-HZPDHXFCSA-N 1 2 280.375 3.422 20 30 CGEDLO CC[C@H]([NH2+]CCC(C)(C)OC)c1cccc(C#N)c1O ZINC000926798254 638813472 /nfs/dbraw/zinc/81/34/72/638813472.db2.gz MFPDDHJYKBNFEH-AWEZNQCLSA-N 1 2 276.380 3.120 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1snnc1C ZINC000929364563 638921588 /nfs/dbraw/zinc/92/15/88/638921588.db2.gz PRJACVFVFQCQDN-ZDUSSCGKSA-N 1 2 298.415 3.467 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1snnc1C ZINC000929364563 638921589 /nfs/dbraw/zinc/92/15/89/638921589.db2.gz PRJACVFVFQCQDN-ZDUSSCGKSA-N 1 2 298.415 3.467 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000929655657 638938062 /nfs/dbraw/zinc/93/80/62/638938062.db2.gz FOPJNPGKLXNYSA-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000929655657 638938065 /nfs/dbraw/zinc/93/80/65/638938065.db2.gz FOPJNPGKLXNYSA-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO C[N@H+](CCC#N)C[C@H]1CCC2(CCCCCC2)O1 ZINC000929808067 638953176 /nfs/dbraw/zinc/95/31/76/638953176.db2.gz CFQGHDVGASJFDK-CQSZACIVSA-N 1 2 250.386 3.104 20 30 CGEDLO C[N@@H+](CCC#N)C[C@H]1CCC2(CCCCCC2)O1 ZINC000929808067 638953177 /nfs/dbraw/zinc/95/31/77/638953177.db2.gz CFQGHDVGASJFDK-CQSZACIVSA-N 1 2 250.386 3.104 20 30 CGEDLO C=C(Cl)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000860013472 639265607 /nfs/dbraw/zinc/26/56/07/639265607.db2.gz QJXPQLGAPHGOLA-UHFFFAOYSA-N 1 2 289.810 3.038 20 30 CGEDLO Clc1ccccc1C#CC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932354834 639321027 /nfs/dbraw/zinc/32/10/27/639321027.db2.gz YMYSMVVSYMNGOV-INIZCTEOSA-N 1 2 297.789 3.222 20 30 CGEDLO COc1ccc(F)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775871 639489237 /nfs/dbraw/zinc/48/92/37/639489237.db2.gz NXNGBYOBDNCWPC-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO COc1ccc(F)cc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775871 639489245 /nfs/dbraw/zinc/48/92/45/639489245.db2.gz NXNGBYOBDNCWPC-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000157681546 639991852 /nfs/dbraw/zinc/99/18/52/639991852.db2.gz BPOFKIQGSHXLBY-NSHDSACASA-N 1 2 255.159 3.060 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000157681546 639991862 /nfs/dbraw/zinc/99/18/62/639991862.db2.gz BPOFKIQGSHXLBY-NSHDSACASA-N 1 2 255.159 3.060 20 30 CGEDLO NC(Cc1cccnc1)=[NH+]OCc1ccc2ccccc2c1 ZINC000092916540 640750876 /nfs/dbraw/zinc/75/08/76/640750876.db2.gz LQYAXKJAJUBMIO-UHFFFAOYSA-N 1 2 291.354 3.266 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007022115 640937751 /nfs/dbraw/zinc/93/77/51/640937751.db2.gz ULVKSIRACYPHJP-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007022115 640937757 /nfs/dbraw/zinc/93/77/57/640937757.db2.gz ULVKSIRACYPHJP-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008189817 640946232 /nfs/dbraw/zinc/94/62/32/640946232.db2.gz GNYYUFBKJZOMHD-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008189817 640946236 /nfs/dbraw/zinc/94/62/36/640946236.db2.gz GNYYUFBKJZOMHD-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO N#Cc1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001250584075 805707360 /nfs/dbraw/zinc/70/73/60/805707360.db2.gz HPMYGFMGXWECSQ-UHFFFAOYSA-N 1 2 259.312 3.470 20 30 CGEDLO CC(C)n1ccc2c1nc[nH+]c2NC=CC(=O)C(F)(F)F ZINC001158558241 805965352 /nfs/dbraw/zinc/96/53/52/805965352.db2.gz WXIJRSXHXDLTQF-HWKANZROSA-N 1 2 298.268 3.069 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+][C@H](C(=O)OCC)C(C)C ZINC001253249249 806195230 /nfs/dbraw/zinc/19/52/30/806195230.db2.gz HVQADRLWGFTPTQ-HOTGVXAUSA-N 1 2 299.455 3.051 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1N[C@@H](C#N)c1ccccc1 ZINC001161718597 806432004 /nfs/dbraw/zinc/43/20/04/806432004.db2.gz QGUBIRYNRDJDHA-AWEZNQCLSA-N 1 2 262.316 3.320 20 30 CGEDLO Cc1nc(NCc2ccc3[nH+]ccn3c2)c(Cl)cc1C#N ZINC001163141255 806706095 /nfs/dbraw/zinc/70/60/95/806706095.db2.gz VKRHTDAMSWPZIS-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO N#Cc1ccc(C[NH+]2CCC(F)(F)CC2)c(Cl)c1 ZINC000404841368 799580429 /nfs/dbraw/zinc/58/04/29/799580429.db2.gz OLNCRXWGCAYKOJ-UHFFFAOYSA-N 1 2 270.710 3.443 20 30 CGEDLO CC(C)(C)SCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405160739 799581681 /nfs/dbraw/zinc/58/16/81/799581681.db2.gz FKVMXVLTMHREFB-UHFFFAOYSA-N 1 2 260.406 3.406 20 30 CGEDLO CC(C)(C)SCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405160739 799581683 /nfs/dbraw/zinc/58/16/83/799581683.db2.gz FKVMXVLTMHREFB-UHFFFAOYSA-N 1 2 260.406 3.406 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)cn1 ZINC000710037905 800027791 /nfs/dbraw/zinc/02/77/91/800027791.db2.gz ZTGNPNZPGWMNOK-SECBINFHSA-N 1 2 282.185 3.044 20 30 CGEDLO Cc1cccnc1N=NC(C)C[NH+]1Cc2ccccc2C1 ZINC000792644175 800391702 /nfs/dbraw/zinc/39/17/02/800391702.db2.gz XSYBNBAMEABRFV-UHFFFAOYSA-N 1 2 280.375 3.194 20 30 CGEDLO Cn1c[nH+]cc1CNc1cc(C(F)(F)F)c(F)cc1C#N ZINC001163953693 806858234 /nfs/dbraw/zinc/85/82/34/806858234.db2.gz WUFCJONIDRVFEV-UHFFFAOYSA-N 1 2 298.243 3.062 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C ZINC001027718118 800815903 /nfs/dbraw/zinc/81/59/03/800815903.db2.gz LODGJWYPWMFXDL-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C ZINC001027718118 800815909 /nfs/dbraw/zinc/81/59/09/800815909.db2.gz LODGJWYPWMFXDL-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081570 800830598 /nfs/dbraw/zinc/83/05/98/800830598.db2.gz UKWYIJIISDHNAY-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081570 800830603 /nfs/dbraw/zinc/83/06/03/800830603.db2.gz UKWYIJIISDHNAY-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001032211834 800921263 /nfs/dbraw/zinc/92/12/63/800921263.db2.gz AYDJYZHAUFXZDC-UHFFFAOYSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001032213873 800921348 /nfs/dbraw/zinc/92/13/48/800921348.db2.gz HLQOOHYWFRHBQC-CQSZACIVSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032954486 800945859 /nfs/dbraw/zinc/94/58/59/800945859.db2.gz XDCFVVTYGLTODU-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032954486 800945865 /nfs/dbraw/zinc/94/58/65/800945865.db2.gz XDCFVVTYGLTODU-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033817142 800983773 /nfs/dbraw/zinc/98/37/73/800983773.db2.gz QPGQOQHVLHZDMD-AWEZNQCLSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033817142 800983774 /nfs/dbraw/zinc/98/37/74/800983774.db2.gz QPGQOQHVLHZDMD-AWEZNQCLSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034090468 801004413 /nfs/dbraw/zinc/00/44/13/801004413.db2.gz IYWOANILZNZLAO-ZDUSSCGKSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034090468 801004417 /nfs/dbraw/zinc/00/44/17/801004417.db2.gz IYWOANILZNZLAO-ZDUSSCGKSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035780179 801060989 /nfs/dbraw/zinc/06/09/89/801060989.db2.gz BFVUTQMKOGOSNU-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001043460025 801218553 /nfs/dbraw/zinc/21/85/53/801218553.db2.gz CEALKUJZUUWSJX-UHFFFAOYSA-N 1 2 298.430 3.205 20 30 CGEDLO CCOC1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001256434242 806897981 /nfs/dbraw/zinc/89/79/81/806897981.db2.gz IMCQYGPAWFKBNO-NRXISQOPSA-N 1 2 252.402 3.252 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046480716 801312207 /nfs/dbraw/zinc/31/22/07/801312207.db2.gz ULNGRJOBRQVVMF-IOASZLSFSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046480716 801312217 /nfs/dbraw/zinc/31/22/17/801312217.db2.gz ULNGRJOBRQVVMF-IOASZLSFSA-N 1 2 298.858 3.002 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256673498 806945175 /nfs/dbraw/zinc/94/51/75/806945175.db2.gz YKASTGKCKIILDA-IYXRBSQSSA-N 1 2 295.427 3.008 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256673498 806945179 /nfs/dbraw/zinc/94/51/79/806945179.db2.gz YKASTGKCKIILDA-IYXRBSQSSA-N 1 2 295.427 3.008 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109059137 802107670 /nfs/dbraw/zinc/10/76/70/802107670.db2.gz WYSSAWSODYGHMO-ATGSNQNLSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109059137 802107677 /nfs/dbraw/zinc/10/76/77/802107677.db2.gz WYSSAWSODYGHMO-ATGSNQNLSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCC)C2 ZINC001109896744 802127245 /nfs/dbraw/zinc/12/72/45/802127245.db2.gz XMJHZQMEFJQMEU-KBXIAJHMSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCC)C2 ZINC001109896744 802127253 /nfs/dbraw/zinc/12/72/53/802127253.db2.gz XMJHZQMEFJQMEU-KBXIAJHMSA-N 1 2 298.858 3.287 20 30 CGEDLO C=CCC[C@@H](C(=O)N1CC[NH+](CC=C)CC1)c1ccccc1 ZINC001113743340 802232738 /nfs/dbraw/zinc/23/27/38/802232738.db2.gz HRZDXVFGTUNWGA-GOSISDBHSA-N 1 2 298.430 3.067 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)CCC2CCCCC2)c1=S ZINC001115943830 802288635 /nfs/dbraw/zinc/28/86/35/802288635.db2.gz WGHKHCRAOSXFHS-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)CCC2CCCCC2)c1=S ZINC001115943830 802288639 /nfs/dbraw/zinc/28/86/39/802288639.db2.gz WGHKHCRAOSXFHS-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1(COC)CCC1 ZINC001118594811 802587541 /nfs/dbraw/zinc/58/75/41/802587541.db2.gz BRGMYRXPIGNTSR-UHFFFAOYSA-N 1 2 288.391 3.102 20 30 CGEDLO CC[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(C#N)c1O ZINC001119637395 802687758 /nfs/dbraw/zinc/68/77/58/802687758.db2.gz SSMIBVLQBSBXGR-QRJNDHJOSA-N 1 2 292.329 3.492 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1C1=CC[C@H](C#N)CC1 ZINC001243797789 803015519 /nfs/dbraw/zinc/01/55/19/803015519.db2.gz LOXFSXDNVAJCAJ-JTQLQIEISA-N 1 2 253.305 3.279 20 30 CGEDLO CC1(C)CCCc2cc(C#N)c(C3=C[NH2+]CCC3)nc21 ZINC001243950270 803096018 /nfs/dbraw/zinc/09/60/18/803096018.db2.gz VQMCXCPBEAMTQN-UHFFFAOYSA-N 1 2 267.376 3.291 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132252433 803386660 /nfs/dbraw/zinc/38/66/60/803386660.db2.gz FIIKOGVTUMNREX-OLZOCXBDSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132252433 803386663 /nfs/dbraw/zinc/38/66/63/803386663.db2.gz FIIKOGVTUMNREX-OLZOCXBDSA-N 1 2 286.847 3.144 20 30 CGEDLO Cc1ccn2c(C[N@H+](CCC#N)C3CCCC3)cnc2c1 ZINC001136888711 803659127 /nfs/dbraw/zinc/65/91/27/803659127.db2.gz FIYXJRWRVGZRGU-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO Cc1ccn2c(C[N@@H+](CCC#N)C3CCCC3)cnc2c1 ZINC001136888711 803659130 /nfs/dbraw/zinc/65/91/30/803659130.db2.gz FIYXJRWRVGZRGU-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cnccc1Cl ZINC001137239093 803703469 /nfs/dbraw/zinc/70/34/69/803703469.db2.gz GHBOWGHZYILEQH-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cnccc1Cl ZINC001137239093 803703472 /nfs/dbraw/zinc/70/34/72/803703472.db2.gz GHBOWGHZYILEQH-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO Cc1c(CN(CC#N)Cc2ccccc2)[nH+]c2ccccn12 ZINC001137273407 803706683 /nfs/dbraw/zinc/70/66/83/803706683.db2.gz LWMPYCYLWJHKMA-UHFFFAOYSA-N 1 2 290.370 3.169 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137342725 803720277 /nfs/dbraw/zinc/72/02/77/803720277.db2.gz KEFBAVGOGQMRTN-OAHLLOKOSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137342725 803720281 /nfs/dbraw/zinc/72/02/81/803720281.db2.gz KEFBAVGOGQMRTN-OAHLLOKOSA-N 1 2 257.312 3.043 20 30 CGEDLO COc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1N ZINC001245504132 803775381 /nfs/dbraw/zinc/77/53/81/803775381.db2.gz VUQMMFXXFBOLSP-RGVLZGJSSA-N 1 2 294.358 3.037 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3cc(C)ccc3C#N)nn2)c1C ZINC001245601284 803845345 /nfs/dbraw/zinc/84/53/45/803845345.db2.gz LWXFOSWDFNSXDA-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139130730 804133816 /nfs/dbraw/zinc/13/38/16/804133816.db2.gz ILYVRUMLRRPCBL-UHFFFAOYSA-N 1 2 287.359 3.205 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139130730 804133822 /nfs/dbraw/zinc/13/38/22/804133822.db2.gz ILYVRUMLRRPCBL-UHFFFAOYSA-N 1 2 287.359 3.205 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139504506 804197425 /nfs/dbraw/zinc/19/74/25/804197425.db2.gz YDYQZVVHHJXOOL-LBPRGKRZSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139504506 804197426 /nfs/dbraw/zinc/19/74/26/804197426.db2.gz YDYQZVVHHJXOOL-LBPRGKRZSA-N 1 2 269.373 3.156 20 30 CGEDLO C=CCN1CC[NH+](Cc2ccc(OC)c(C(C)C)c2)CC1 ZINC001139618370 804229885 /nfs/dbraw/zinc/22/98/85/804229885.db2.gz UQWRYVAWTFRDIK-UHFFFAOYSA-N 1 2 288.435 3.122 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3ccccc3C(F)F)CC[C@H]2S1 ZINC001139797113 804282986 /nfs/dbraw/zinc/28/29/86/804282986.db2.gz LDHNTFMIHMIXKD-CYBMUJFWSA-N 1 2 295.354 3.398 20 30 CGEDLO COc1cc(F)cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001140477374 804445072 /nfs/dbraw/zinc/44/50/72/804445072.db2.gz BVHBVBZAFJTADC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(F)cc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001140477374 804445073 /nfs/dbraw/zinc/44/50/73/804445073.db2.gz BVHBVBZAFJTADC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140917918 804547120 /nfs/dbraw/zinc/54/71/20/804547120.db2.gz CLUHOQFUEPKOSA-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140917918 804547125 /nfs/dbraw/zinc/54/71/25/804547125.db2.gz CLUHOQFUEPKOSA-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO CCCCc1[nH]c(CN(CCC#N)C2CCCC2)c[nH+]1 ZINC001141069757 804583043 /nfs/dbraw/zinc/58/30/43/804583043.db2.gz CEFWHGXQKZVLFX-UHFFFAOYSA-N 1 2 274.412 3.411 20 30 CGEDLO CCCCc1[nH]cc(CN(CCC#N)C2CCCC2)[nH+]1 ZINC001141069757 804583046 /nfs/dbraw/zinc/58/30/46/804583046.db2.gz CEFWHGXQKZVLFX-UHFFFAOYSA-N 1 2 274.412 3.411 20 30 CGEDLO N#Cc1ccc(Br)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001141656205 804662904 /nfs/dbraw/zinc/66/29/04/804662904.db2.gz SBCIMZFYIAZCPF-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141856646 804675624 /nfs/dbraw/zinc/67/56/24/804675624.db2.gz KOMYKJXUIWQBKM-HNNXBMFYSA-N 1 2 258.296 3.307 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141856646 804675626 /nfs/dbraw/zinc/67/56/26/804675626.db2.gz KOMYKJXUIWQBKM-HNNXBMFYSA-N 1 2 258.296 3.307 20 30 CGEDLO CC(C)(C)c1nc[nH]c1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001142213029 804704564 /nfs/dbraw/zinc/70/45/64/804704564.db2.gz LSJNJRKHXBDOTM-UHFFFAOYSA-N 1 2 294.402 3.137 20 30 CGEDLO CC(C)(C)c1nc[nH]c1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001142213029 804704568 /nfs/dbraw/zinc/70/45/68/804704568.db2.gz LSJNJRKHXBDOTM-UHFFFAOYSA-N 1 2 294.402 3.137 20 30 CGEDLO COc1c(F)cccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001143521820 804861143 /nfs/dbraw/zinc/86/11/43/804861143.db2.gz IQMUORAWZAOITB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1c(F)cccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001143521820 804861148 /nfs/dbraw/zinc/86/11/48/804861148.db2.gz IQMUORAWZAOITB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCCO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724459 804887889 /nfs/dbraw/zinc/88/78/89/804887889.db2.gz XLFSCLHTTVRWPT-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO CCCO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143724459 804887897 /nfs/dbraw/zinc/88/78/97/804887897.db2.gz XLFSCLHTTVRWPT-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO C=CC[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001144008882 804921956 /nfs/dbraw/zinc/92/19/56/804921956.db2.gz TWNCCTRMUNWTKE-ZBZNSMLMSA-N 1 2 298.430 3.056 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001144573369 805008827 /nfs/dbraw/zinc/00/88/27/805008827.db2.gz HGSQLUJOEKAMLJ-QGZVFWFLSA-N 1 2 299.414 3.364 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001144573369 805008836 /nfs/dbraw/zinc/00/88/36/805008836.db2.gz HGSQLUJOEKAMLJ-QGZVFWFLSA-N 1 2 299.414 3.364 20 30 CGEDLO Cc1c[nH+]c(N(C)Cc2ccc(C#N)cc2)nc1NC(C)C ZINC001166537924 807051912 /nfs/dbraw/zinc/05/19/12/807051912.db2.gz INSSHDZRKPIJJU-UHFFFAOYSA-N 1 2 295.390 3.113 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)cn1 ZINC001250317796 805562409 /nfs/dbraw/zinc/56/24/09/805562409.db2.gz ZZNGGNHLJJTSOG-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)cn1 ZINC001250317796 805562412 /nfs/dbraw/zinc/56/24/12/805562412.db2.gz ZZNGGNHLJJTSOG-LBPRGKRZSA-N 1 2 293.798 3.259 20 30 CGEDLO C#C[C@@H]1CCCN(c2ccc3c(cc(OC)cc3OC)[nH+]2)C1 ZINC001167008446 807128567 /nfs/dbraw/zinc/12/85/67/807128567.db2.gz XPGVFRJGCPUZOE-CYBMUJFWSA-N 1 2 296.370 3.102 20 30 CGEDLO C[C@H](Nc1cc(C2(C#N)CC2)cc[nH+]1)c1ccc(F)cn1 ZINC001167479426 807197393 /nfs/dbraw/zinc/19/73/93/807197393.db2.gz NDPALQJWUDADLU-NSHDSACASA-N 1 2 282.322 3.344 20 30 CGEDLO N#Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c(O)c1 ZINC001212698599 815106580 /nfs/dbraw/zinc/10/65/80/815106580.db2.gz XPIBPWGCXLUYNX-UHFFFAOYSA-N 1 2 290.326 3.252 20 30 CGEDLO CCCCCCCCC[C@@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001258229676 807376296 /nfs/dbraw/zinc/37/62/96/807376296.db2.gz UHOJLHXNNVBPJG-WBVHZDCISA-N 1 2 299.455 3.437 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1cc(F)cc(F)c1 ZINC001258513446 807481835 /nfs/dbraw/zinc/48/18/35/807481835.db2.gz XFNWBZNXUTVRMK-WAYWQWQTSA-N 1 2 288.297 3.322 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCCc1cn2ccccc2n1 ZINC001169002194 807549840 /nfs/dbraw/zinc/54/98/40/807549840.db2.gz JYEPNSUSPGQXBY-UHFFFAOYSA-N 1 2 292.386 3.421 20 30 CGEDLO Cc1ccc(CCCNc2cc(C3(C#N)CC3)cc[nH+]2)cn1 ZINC001169256370 807616493 /nfs/dbraw/zinc/61/64/93/807616493.db2.gz MBDYKVAHSCFVII-UHFFFAOYSA-N 1 2 292.386 3.385 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2cccn3cc[nH+]c23)C1 ZINC001169951589 807728080 /nfs/dbraw/zinc/72/80/80/807728080.db2.gz MYDTYRBADXLWRG-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCCC(C)C)C(=O)OCC ZINC001170064543 807745622 /nfs/dbraw/zinc/74/56/22/807745622.db2.gz QHZMIKQXAPJBAB-LZWOXQAQSA-N 1 2 267.413 3.299 20 30 CGEDLO CC(C)COc1cc(NCC(C)(C)S)cc[nH+]1 ZINC001170307043 807823635 /nfs/dbraw/zinc/82/36/35/807823635.db2.gz LDDUDIKIQSLGSG-UHFFFAOYSA-N 1 2 254.399 3.237 20 30 CGEDLO CC(C)Oc1cc(NCC#Cc2ccccc2)cc[nH+]1 ZINC001170427305 807840728 /nfs/dbraw/zinc/84/07/28/807840728.db2.gz LYIHGPSGGVNZHL-UHFFFAOYSA-N 1 2 266.344 3.332 20 30 CGEDLO Cc1cn2cccc(NC3=CC[C@H](C#N)CC3)c2[nH+]1 ZINC001212857006 815161242 /nfs/dbraw/zinc/16/12/42/815161242.db2.gz YLPCOGWDIDRZNR-LBPRGKRZSA-N 1 2 252.321 3.262 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H](C)CCOCC ZINC001172421086 808301619 /nfs/dbraw/zinc/30/16/19/808301619.db2.gz USGKMJOIUYQVLR-HNNXBMFYSA-N 1 2 287.444 3.295 20 30 CGEDLO CCCCCCC[C@H](CCC)[NH2+][C@@H](CO)C(=O)OCC ZINC001172502860 808359112 /nfs/dbraw/zinc/35/91/12/808359112.db2.gz TYVZATIONFYSGE-GJZGRUSLSA-N 1 2 287.444 3.029 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001268446752 808587896 /nfs/dbraw/zinc/58/78/96/808587896.db2.gz KQFBOSMGIKMMFA-RDTXWAMCSA-N 1 2 286.419 3.150 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173607287 808652787 /nfs/dbraw/zinc/65/27/87/808652787.db2.gz OQYYUJWQELMARG-BYLPVYNFSA-N 1 2 292.423 3.170 20 30 CGEDLO COc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1C#N ZINC001174412371 809006322 /nfs/dbraw/zinc/00/63/22/809006322.db2.gz SGXDYEDXIZNPML-UHFFFAOYSA-N 1 2 264.288 3.138 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001278438114 809133635 /nfs/dbraw/zinc/13/36/35/809133635.db2.gz OQNXNPMWDQVWJP-CZUORRHYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001278438114 809133637 /nfs/dbraw/zinc/13/36/37/809133637.db2.gz OQNXNPMWDQVWJP-CZUORRHYSA-N 1 2 298.858 3.146 20 30 CGEDLO CC(C)c1ccc[nH+]c1Nc1ccc(C#N)cc1N ZINC001213355448 815268650 /nfs/dbraw/zinc/26/86/50/815268650.db2.gz AGXIZPVARFNLFH-UHFFFAOYSA-N 1 2 252.321 3.402 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2ccc(C#N)cc2N)cc1 ZINC001213370786 815270795 /nfs/dbraw/zinc/27/07/95/815270795.db2.gz NHFASJUVXHKBHS-UHFFFAOYSA-N 1 2 266.348 3.340 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2ccc(C#N)cc2N)cc1 ZINC001213370786 815270799 /nfs/dbraw/zinc/27/07/99/815270799.db2.gz NHFASJUVXHKBHS-UHFFFAOYSA-N 1 2 266.348 3.340 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001284131673 809297504 /nfs/dbraw/zinc/29/75/04/809297504.db2.gz NOAWOEURTZJCSZ-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001284131673 809297506 /nfs/dbraw/zinc/29/75/06/809297506.db2.gz NOAWOEURTZJCSZ-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001292862388 809439403 /nfs/dbraw/zinc/43/94/03/809439403.db2.gz MOHXIQDHDXDXOX-AWEZNQCLSA-N 1 2 299.374 3.100 20 30 CGEDLO COC(=O)c1cc(C#N)ccc1Nc1c[nH+]c(C)cc1C ZINC001213518319 815296424 /nfs/dbraw/zinc/29/64/24/815296424.db2.gz HPLBYLFXKXIQGE-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO COc1ccc(Nc2c[nH+]cc(C)c2C)cc1C#N ZINC001213530488 815299655 /nfs/dbraw/zinc/29/96/55/815299655.db2.gz CPFSNORVAYYNLY-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CC(C)c1ccc(C[NH2+][C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC001179479750 809924092 /nfs/dbraw/zinc/92/40/92/809924092.db2.gz TVECDMPIKPDNRV-NSHDSACASA-N 1 2 261.325 3.110 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(C)n1 ZINC001180030823 809968909 /nfs/dbraw/zinc/96/89/09/809968909.db2.gz QDSBEKRGUWWIQT-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)cc(C)n1 ZINC001180030823 809968911 /nfs/dbraw/zinc/96/89/11/809968911.db2.gz QDSBEKRGUWWIQT-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3cc(C#N)ccc3F)ccc21 ZINC001214599302 815429804 /nfs/dbraw/zinc/42/98/04/815429804.db2.gz LSXJZDYTTGZNFP-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)OC ZINC001196899390 811380268 /nfs/dbraw/zinc/38/02/68/811380268.db2.gz XFTPLETVLVITJP-BZUAXINKSA-N 1 2 273.376 3.030 20 30 CGEDLO C#Cc1cc(Nc2ccc(NC(C)C)cc2)cc[nH+]1 ZINC001201489040 811863103 /nfs/dbraw/zinc/86/31/03/811863103.db2.gz XVYUKYVHBXEWPN-UHFFFAOYSA-N 1 2 251.333 3.049 20 30 CGEDLO Cc1cn2c(cccc2NC(=O)Nc2cccc(C#N)c2)[nH+]1 ZINC001202776993 812172419 /nfs/dbraw/zinc/17/24/19/812172419.db2.gz SWPKWYLNKUZXQV-UHFFFAOYSA-N 1 2 291.314 3.158 20 30 CGEDLO Cc1ccc(O)c(NC=Cc2ccc(C#N)cc2)[nH+]1 ZINC001203299144 812300364 /nfs/dbraw/zinc/30/03/64/812300364.db2.gz XYQKTDMKNOMJCW-CMDGGOBGSA-N 1 2 251.289 3.050 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(C#N)cc2F)c[nH+]1 ZINC001203456761 812365672 /nfs/dbraw/zinc/36/56/72/812365672.db2.gz VEBXOBAIGVLGTA-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1F ZINC001203789056 812462515 /nfs/dbraw/zinc/46/25/15/812462515.db2.gz LNICKAFAGNGTJE-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1F ZINC001203789056 812462521 /nfs/dbraw/zinc/46/25/21/812462521.db2.gz LNICKAFAGNGTJE-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cn(C(C)=O)c2ccccc12 ZINC001204406828 812630849 /nfs/dbraw/zinc/63/08/49/812630849.db2.gz IGHUGZWPYIPYED-UHFFFAOYSA-N 1 2 269.348 3.037 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cn(C(C)=O)c2ccccc12 ZINC001204406828 812630853 /nfs/dbraw/zinc/63/08/53/812630853.db2.gz IGHUGZWPYIPYED-UHFFFAOYSA-N 1 2 269.348 3.037 20 30 CGEDLO Cc1ccc(O)c(Nc2c(C)cc(C#N)cc2C)[nH+]1 ZINC001215645409 815550809 /nfs/dbraw/zinc/55/08/09/815550809.db2.gz MDKNRTPGPPDPGB-UHFFFAOYSA-N 1 2 253.305 3.328 20 30 CGEDLO CSc1cc([NH+]=C(NO)c2ccccc2N)ccc1F ZINC001215795713 815595688 /nfs/dbraw/zinc/59/56/88/815595688.db2.gz JPKLRZNXGKLTRY-UHFFFAOYSA-N 1 2 291.351 3.187 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3ccc(C)cc3C#N)nn2)c1C ZINC001242591394 823050058 /nfs/dbraw/zinc/05/00/58/823050058.db2.gz OWLLORDNZJQRSY-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(C)CC1)C(=O)OCC ZINC001207129754 813493309 /nfs/dbraw/zinc/49/33/09/813493309.db2.gz RHCGEFIDNMNHJS-GDKBPFBDSA-N 1 2 273.804 3.229 20 30 CGEDLO CC(C)(O)CCCC1=CC[C@@H](C[NH+]2CC(C)(C#N)C2)CC1 ZINC001207401661 813558773 /nfs/dbraw/zinc/55/87/73/813558773.db2.gz HGXPBMGRTHNTKR-MRXNPFEDSA-N 1 2 290.451 3.500 20 30 CGEDLO C=CCCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209422436 814024172 /nfs/dbraw/zinc/02/41/72/814024172.db2.gz AUHZJRJLSCKMKZ-ZDUSSCGKSA-N 1 2 251.395 3.007 20 30 CGEDLO C=CCCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209422436 814024178 /nfs/dbraw/zinc/02/41/78/814024178.db2.gz AUHZJRJLSCKMKZ-ZDUSSCGKSA-N 1 2 251.395 3.007 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC)c3ccccc23)cc[nH+]1 ZINC001209924284 814201644 /nfs/dbraw/zinc/20/16/44/814201644.db2.gz NWBXYZIQBVJJBX-UHFFFAOYSA-N 1 2 274.323 3.390 20 30 CGEDLO N#Cc1cncc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001210084142 814278754 /nfs/dbraw/zinc/27/87/54/814278754.db2.gz PNUWXEZLXKRDPP-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO C#Cc1cc(Nc2c(F)cccc2C(F)(F)F)cc[nH+]1 ZINC001210127929 814303371 /nfs/dbraw/zinc/30/33/71/814303371.db2.gz UWOALDIMQIHZIX-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2cn(CC3CCC3)c[nH+]2)C1 ZINC001210150655 814312656 /nfs/dbraw/zinc/31/26/56/814312656.db2.gz IMLMCRQBYRZRIF-UHFFFAOYSA-N 1 2 273.380 3.368 20 30 CGEDLO Cc1[nH+]cc(Nc2sc3c(c2C#N)CCC3)cc1N ZINC001210286919 814381019 /nfs/dbraw/zinc/38/10/19/814381019.db2.gz GVEUXJKYMJYCBC-UHFFFAOYSA-N 1 2 270.361 3.138 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(Cl)c(C#N)c2)cc1N ZINC001210291295 814386892 /nfs/dbraw/zinc/38/68/92/814386892.db2.gz ZAWAKAQXUHVRRQ-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO COc1cc(Nc2ccc(C#N)c(OC)c2)cc(C)[nH+]1 ZINC001210780713 814626285 /nfs/dbraw/zinc/62/62/85/814626285.db2.gz NGOLXBNMCXOLIS-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO COc1cc(Nc2ccc(F)c(CC#N)c2)cc(C)[nH+]1 ZINC001210784952 814629286 /nfs/dbraw/zinc/62/92/86/814629286.db2.gz WHDVPMPPDNXRAO-UHFFFAOYSA-N 1 2 271.295 3.347 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(SC)c(F)c2)cc[nH+]1 ZINC001215923721 815632244 /nfs/dbraw/zinc/63/22/44/815632244.db2.gz ZHLKXUULBWNDSR-UHFFFAOYSA-N 1 2 276.311 3.229 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001221431634 816314740 /nfs/dbraw/zinc/31/47/40/816314740.db2.gz ANKFDXCPGDDFFD-NWANDNLSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001221431634 816314748 /nfs/dbraw/zinc/31/47/48/816314748.db2.gz ANKFDXCPGDDFFD-NWANDNLSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001221888031 816332916 /nfs/dbraw/zinc/33/29/16/816332916.db2.gz OIGRTRIDGJDUBR-NWANDNLSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001221888031 816332922 /nfs/dbraw/zinc/33/29/22/816332922.db2.gz OIGRTRIDGJDUBR-NWANDNLSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CCn1cc(-c2cc(F)c(C[NH+](C)C)c(F)c2)cn1 ZINC001222409260 816437531 /nfs/dbraw/zinc/43/75/31/816437531.db2.gz QZGGWVZGTKWBOS-UHFFFAOYSA-N 1 2 277.318 3.076 20 30 CGEDLO N#Cc1cc(Cl)c(O[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC001226584391 817404769 /nfs/dbraw/zinc/40/47/69/817404769.db2.gz HUEWRXYBFAZKNG-CYBMUJFWSA-N 1 2 297.185 3.338 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC001231465924 818104247 /nfs/dbraw/zinc/10/42/47/818104247.db2.gz HLGWBJRRTIYPQM-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC001231465924 818104249 /nfs/dbraw/zinc/10/42/49/818104249.db2.gz HLGWBJRRTIYPQM-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)cnc1OC ZINC001231747175 818166366 /nfs/dbraw/zinc/16/63/66/818166366.db2.gz OEHGAUQIRJXAIY-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cnc1OC ZINC001231747175 818166369 /nfs/dbraw/zinc/16/63/69/818166369.db2.gz OEHGAUQIRJXAIY-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC23CCCCC3)c1 ZINC001232675174 818416361 /nfs/dbraw/zinc/41/63/61/818416361.db2.gz MRUZRKHQFQJSCY-UHFFFAOYSA-N 1 2 256.349 3.172 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC23CCCCC3)c1 ZINC001232675174 818416365 /nfs/dbraw/zinc/41/63/65/818416365.db2.gz MRUZRKHQFQJSCY-UHFFFAOYSA-N 1 2 256.349 3.172 20 30 CGEDLO COc1ccc([C@H](C)[N@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678758 818417374 /nfs/dbraw/zinc/41/73/74/818417374.db2.gz OVWIDCGVZWIDNQ-ZDUSSCGKSA-N 1 2 296.370 3.465 20 30 CGEDLO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678758 818417378 /nfs/dbraw/zinc/41/73/78/818417378.db2.gz OVWIDCGVZWIDNQ-ZDUSSCGKSA-N 1 2 296.370 3.465 20 30 CGEDLO C=CCN1CC[NH+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232730219 818426177 /nfs/dbraw/zinc/42/61/77/818426177.db2.gz RCKPLVFOGFVASG-UHFFFAOYSA-N 1 2 289.810 3.125 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2Cl)C1 ZINC001232877177 818461038 /nfs/dbraw/zinc/46/10/38/818461038.db2.gz DINGANXWSUNGEG-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2Cl)C1 ZINC001232877177 818461040 /nfs/dbraw/zinc/46/10/40/818461040.db2.gz DINGANXWSUNGEG-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1F ZINC001232921816 818473043 /nfs/dbraw/zinc/47/30/43/818473043.db2.gz YDLVAFSNNABROE-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1F ZINC001232921816 818473047 /nfs/dbraw/zinc/47/30/47/818473047.db2.gz YDLVAFSNNABROE-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)c(F)c(F)c1 ZINC001232971430 818488615 /nfs/dbraw/zinc/48/86/15/818488615.db2.gz KQZBEFRMXXJRHI-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)c(F)c(F)c1 ZINC001232971430 818488621 /nfs/dbraw/zinc/48/86/21/818488621.db2.gz KQZBEFRMXXJRHI-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO N#Cc1cc(OC2C[NH+](Cc3ccccc3)C2)ccc1Cl ZINC001233921354 818731866 /nfs/dbraw/zinc/73/18/66/818731866.db2.gz QIQJNJYMZTWCRY-UHFFFAOYSA-N 1 2 298.773 3.475 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235041990 818987650 /nfs/dbraw/zinc/98/76/50/818987650.db2.gz GASPPDHDWKVURE-LBPRGKRZSA-N 1 2 269.323 3.166 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235041990 818987651 /nfs/dbraw/zinc/98/76/51/818987651.db2.gz GASPPDHDWKVURE-LBPRGKRZSA-N 1 2 269.323 3.166 20 30 CGEDLO CCCOC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237526693 819772050 /nfs/dbraw/zinc/77/20/50/819772050.db2.gz QEUBQRIQQLIXIY-UHFFFAOYSA-N 1 2 294.345 3.227 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798755 819846259 /nfs/dbraw/zinc/84/62/59/819846259.db2.gz MWEMHRJRCISIAQ-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798755 819846269 /nfs/dbraw/zinc/84/62/69/819846269.db2.gz MWEMHRJRCISIAQ-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(Cl)cc1O ZINC001237935252 819887920 /nfs/dbraw/zinc/88/79/20/819887920.db2.gz BCYKPTHWZOHUMY-UHFFFAOYSA-N 1 2 270.735 3.310 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(Cl)cc1O ZINC001237935252 819887927 /nfs/dbraw/zinc/88/79/27/819887927.db2.gz BCYKPTHWZOHUMY-UHFFFAOYSA-N 1 2 270.735 3.310 20 30 CGEDLO COc1ccc(C(F)(F)F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001238053490 819918365 /nfs/dbraw/zinc/91/83/65/819918365.db2.gz OYKGBEJXSBHEPO-UHFFFAOYSA-N 1 2 298.308 3.450 20 30 CGEDLO C=CCN1CC[NH+](Cc2ccc(Cl)c(C)c2C)CC1 ZINC001238212603 819958491 /nfs/dbraw/zinc/95/84/91/819958491.db2.gz AERYUKRNBBSKCD-UHFFFAOYSA-N 1 2 278.827 3.260 20 30 CGEDLO Cc1cc(OC(C)C)cc(C)c1C[N@H+](C)CCC#N ZINC001238670748 820074859 /nfs/dbraw/zinc/07/48/59/820074859.db2.gz XMJUMZNBOVUGDD-UHFFFAOYSA-N 1 2 260.381 3.436 20 30 CGEDLO Cc1cc(OC(C)C)cc(C)c1C[N@@H+](C)CCC#N ZINC001238670748 820074866 /nfs/dbraw/zinc/07/48/66/820074866.db2.gz XMJUMZNBOVUGDD-UHFFFAOYSA-N 1 2 260.381 3.436 20 30 CGEDLO CCc1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)ccc1C#N ZINC001238773395 820114617 /nfs/dbraw/zinc/11/46/17/820114617.db2.gz XXYWQYSGSTYQSS-KRWDZBQOSA-N 1 2 292.386 3.248 20 30 CGEDLO CCc1cc(C[N@H+]2CCC[C@H]2c2ncccn2)ccc1C#N ZINC001238773395 820114622 /nfs/dbraw/zinc/11/46/22/820114622.db2.gz XXYWQYSGSTYQSS-KRWDZBQOSA-N 1 2 292.386 3.248 20 30 CGEDLO N#Cc1c[nH]c2cc(-c3ccc(Cn4cc[nH+]c4)cc3)cnc12 ZINC001243659519 823477133 /nfs/dbraw/zinc/47/71/33/823477133.db2.gz XAOFWINEEJNCEI-UHFFFAOYSA-N 1 2 299.337 3.346 20 30 CGEDLO N#CCc1c(F)cccc1-c1ccc2[nH+]ccn2c1 ZINC001240220910 820897104 /nfs/dbraw/zinc/89/71/04/820897104.db2.gz NKCQMEGCVLRYFI-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1ccc2nccc(-c3ccn4cc[nH+]c4c3)c2c1 ZINC001240508622 821103499 /nfs/dbraw/zinc/10/34/99/821103499.db2.gz GASROKYPAUHQLV-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO C#Cc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001241921869 822220234 /nfs/dbraw/zinc/22/02/34/822220234.db2.gz JQNVPXZUNYRTIB-DEDYPNTBSA-N 1 2 273.339 3.428 20 30 CGEDLO Cc1cn2c(cccc2-c2ccc(F)cc2C#N)[nH+]1 ZINC001242583261 823044387 /nfs/dbraw/zinc/04/43/87/823044387.db2.gz RDXWMWXBPMFICL-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=CCCC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001338442348 936323240 /nfs/dbraw/zinc/32/32/40/936323240.db2.gz COUGGXHFXQQMCT-CQSZACIVSA-N 1 2 289.423 3.310 20 30 CGEDLO N#Cc1c(Cl)cccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001347820716 936897732 /nfs/dbraw/zinc/89/77/32/936897732.db2.gz JCIVNEKJMMVNOR-UHFFFAOYSA-N 1 2 286.766 3.319 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC001351997666 937031229 /nfs/dbraw/zinc/03/12/29/937031229.db2.gz LCZFPLVLQCRLKR-UHFFFAOYSA-N 1 2 283.375 3.073 20 30 CGEDLO C=C(Br)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194293082 926784417 /nfs/dbraw/zinc/78/44/17/926784417.db2.gz ZEDYYENECAFSIE-UHFFFAOYSA-N 1 2 292.180 3.075 20 30 CGEDLO COc1c[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c2[nH]ccc21 ZINC001167841955 927030569 /nfs/dbraw/zinc/03/05/69/927030569.db2.gz AWNLKTROGFQEMZ-XYPYZODXSA-N 1 2 270.336 3.066 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001167845630 927031869 /nfs/dbraw/zinc/03/18/69/927031869.db2.gz UXJZFAGECXNPLC-KOMQPUFPSA-N 1 2 280.375 3.426 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCCCC)CC2 ZINC001482240269 927184028 /nfs/dbraw/zinc/18/40/28/927184028.db2.gz QECOZWWZLAIZKI-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=CC1(CC(=O)N(C)C2C[NH+](CC(=C)C)C2)CCCCC1 ZINC001483882792 927642164 /nfs/dbraw/zinc/64/21/64/927642164.db2.gz HOYUJYPCFUAVMO-UHFFFAOYSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132214854 928143147 /nfs/dbraw/zinc/14/31/47/928143147.db2.gz OHTDOQDKVQQSTM-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132214854 928143154 /nfs/dbraw/zinc/14/31/54/928143154.db2.gz OHTDOQDKVQQSTM-ZIAGYGMSSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132214851 928143208 /nfs/dbraw/zinc/14/32/08/928143208.db2.gz OHTDOQDKVQQSTM-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132214851 928143218 /nfs/dbraw/zinc/14/32/18/928143218.db2.gz OHTDOQDKVQQSTM-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C/Cl)CCC1 ZINC001488654822 928288070 /nfs/dbraw/zinc/28/80/70/928288070.db2.gz OWGCCCGYKPIMHZ-AZWQULSGSA-N 1 2 296.842 3.018 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2C/C=C/Cl)CCC1 ZINC001488654822 928288086 /nfs/dbraw/zinc/28/80/86/928288086.db2.gz OWGCCCGYKPIMHZ-AZWQULSGSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)c1c(C)cc(C)cc1C ZINC001492847447 937241556 /nfs/dbraw/zinc/24/15/56/937241556.db2.gz ZHKSTSYCOLLQER-UHFFFAOYSA-N 1 2 294.826 3.026 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)c1c(C)cc(C)cc1C ZINC001492847447 937241558 /nfs/dbraw/zinc/24/15/58/937241558.db2.gz ZHKSTSYCOLLQER-UHFFFAOYSA-N 1 2 294.826 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001491206565 928843775 /nfs/dbraw/zinc/84/37/75/928843775.db2.gz OPYADBCXSQHCJQ-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001491206565 928843779 /nfs/dbraw/zinc/84/37/79/928843779.db2.gz OPYADBCXSQHCJQ-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO N#Cc1ncc(Nc2ccccc2-n2cc[nH+]c2)cc1F ZINC001203055629 931960361 /nfs/dbraw/zinc/96/03/61/931960361.db2.gz RSPFACYZMTWOCK-UHFFFAOYSA-N 1 2 279.278 3.022 20 30 CGEDLO C[NH+](C)Cc1c(F)cc(-c2cnc(C#N)c(F)c2)cc1F ZINC001238993077 932696157 /nfs/dbraw/zinc/69/61/57/932696157.db2.gz NZYFWYLECJJOFN-UHFFFAOYSA-N 1 2 291.276 3.099 20 30 CGEDLO N#Cc1cccc(-c2ccccc2C[NH+]2CCOCC2)c1F ZINC001245068497 932709781 /nfs/dbraw/zinc/70/97/81/932709781.db2.gz ILDBTRALCVFGBX-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001492473222 932819520 /nfs/dbraw/zinc/81/95/20/932819520.db2.gz FFWPOTANRYCJLP-KBPBESRZSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001492473222 932819524 /nfs/dbraw/zinc/81/95/24/932819524.db2.gz FFWPOTANRYCJLP-KBPBESRZSA-N 1 2 286.847 3.003 20 30 CGEDLO Cn1c[nH+]cc1CSc1ccc(Cl)cc1C#N ZINC001307310435 932939439 /nfs/dbraw/zinc/93/94/39/932939439.db2.gz OGGXAHNQYQSLRW-UHFFFAOYSA-N 1 2 263.753 3.237 20 30 CGEDLO C=CC[C@@H](C)[NH2+][C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC001307986295 933030154 /nfs/dbraw/zinc/03/01/54/933030154.db2.gz CWIKZXFZRWRSIR-DOMZBBRYSA-N 1 2 295.810 3.368 20 30 CGEDLO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001307985319 933031115 /nfs/dbraw/zinc/03/11/15/933031115.db2.gz VZVTUWIBLAYOGG-GOEBONIOSA-N 1 2 289.419 3.494 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001308753587 933169679 /nfs/dbraw/zinc/16/96/79/933169679.db2.gz BVGVWGUWKKLADM-UHFFFAOYSA-N 1 2 287.309 3.306 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001308753587 933169680 /nfs/dbraw/zinc/16/96/80/933169680.db2.gz BVGVWGUWKKLADM-UHFFFAOYSA-N 1 2 287.309 3.306 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001317450221 933592946 /nfs/dbraw/zinc/59/29/46/933592946.db2.gz CXCDRACFNOSVAV-ZIAGYGMSSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001317450221 933592957 /nfs/dbraw/zinc/59/29/57/933592957.db2.gz CXCDRACFNOSVAV-ZIAGYGMSSA-N 1 2 298.858 3.025 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1)C(=O)OCC ZINC001324625383 934533061 /nfs/dbraw/zinc/53/30/61/934533061.db2.gz NEWCPOPTTLQKMM-FMKPAKJESA-N 1 2 275.392 3.276 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)CCC ZINC001329588944 935230923 /nfs/dbraw/zinc/23/09/23/935230923.db2.gz QBJHRYUEQSDRBC-CHWSQXEVSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)CCC ZINC001329588944 935230926 /nfs/dbraw/zinc/23/09/26/935230926.db2.gz QBJHRYUEQSDRBC-CHWSQXEVSA-N 1 2 274.836 3.002 20 30 CGEDLO C#C[C@H](Nc1cc(C)[nH+]c(CC)n1)c1ccccc1 ZINC001332091788 935438673 /nfs/dbraw/zinc/43/86/73/935438673.db2.gz XFOWQBULJOXOAW-AWEZNQCLSA-N 1 2 251.333 3.134 20 30 CGEDLO Cc1[nH]c(/C=C2\COc3c(C)ccc(C)c3C2=O)[nH+]c1C ZINC001332406227 935466607 /nfs/dbraw/zinc/46/66/07/935466607.db2.gz JYOIYZWXPWGPRE-NTUHNPAUSA-N 1 2 282.343 3.302 20 30 CGEDLO C=C[C@@H](CC)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001334111117 936085292 /nfs/dbraw/zinc/08/52/92/936085292.db2.gz JZXYPSOPHHLKCZ-ZDUSSCGKSA-N 1 2 269.348 3.413 20 30 CGEDLO CC1(C)CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1C#N ZINC001334886970 936120574 /nfs/dbraw/zinc/12/05/74/936120574.db2.gz HBMBNMSSYBPRGB-YMAMQOFZSA-N 1 2 259.397 3.331 20 30 CGEDLO CC1(C)CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1C#N ZINC001334886970 936120576 /nfs/dbraw/zinc/12/05/76/936120576.db2.gz HBMBNMSSYBPRGB-YMAMQOFZSA-N 1 2 259.397 3.331 20 30 CGEDLO COc1c(C)c[nH+]c(CSCC2(C#N)CC2)c1C ZINC001337308470 936248897 /nfs/dbraw/zinc/24/88/97/936248897.db2.gz BWMTXJJSLCKHLE-UHFFFAOYSA-N 1 2 262.378 3.244 20 30 CGEDLO C=CCCc1ccccc1NCc1ccc[nH+]c1N ZINC001474469981 937861971 /nfs/dbraw/zinc/86/19/71/937861971.db2.gz VVZJLKHMYSQOCF-UHFFFAOYSA-N 1 2 253.349 3.395 20 30 CGEDLO CC(C)(C)Oc1ccc(NCc2ccc[nH+]c2N)cc1C#N ZINC001474535335 937865238 /nfs/dbraw/zinc/86/52/38/937865238.db2.gz VMSVYRJIGUKHNS-UHFFFAOYSA-N 1 2 296.374 3.325 20 30 CGEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@](C)(CC)CCCCC)C1 ZINC001499799093 937974780 /nfs/dbraw/zinc/97/47/80/937974780.db2.gz ZOGSYQUVYUJZFI-GOSISDBHSA-N 1 2 292.467 3.149 20 30 CGEDLO Cc1cc(C)c(CNC(=O)c2ccc(Cl)c(C#N)c2)c[nH+]1 ZINC001528521658 938068102 /nfs/dbraw/zinc/06/81/02/938068102.db2.gz ZOALGHWCCRHCDX-UHFFFAOYSA-N 1 2 299.761 3.154 20 30 CGEDLO CCC(CC)CN(CCC#N)C(=O)c1cccc2[nH+]ccn21 ZINC001543034396 938137607 /nfs/dbraw/zinc/13/76/07/938137607.db2.gz DFAOVCVPEUZWLQ-UHFFFAOYSA-N 1 2 298.390 3.126 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1C[C@H](OCCCC)C1(C)C)C(=O)OCC ZINC001560808656 938277091 /nfs/dbraw/zinc/27/70/91/938277091.db2.gz MUGATTNBTVQUJY-KKUMJFAQSA-N 1 2 297.439 3.068 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)s1 ZINC001560893515 938282312 /nfs/dbraw/zinc/28/23/12/938282312.db2.gz PJSFDMJKWOSVRH-UHFFFAOYSA-N 1 2 278.764 3.269 20 30 CGEDLO Cc1nc2[nH]ccc2c(NC23CCC(C#N)(CC2)CC3)[nH+]1 ZINC001158785509 958832621 /nfs/dbraw/zinc/83/26/21/958832621.db2.gz ABPIZJOYKNXYFG-UHFFFAOYSA-N 1 2 281.363 3.295 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000589990821 346820871 /nfs/dbraw/zinc/82/08/71/346820871.db2.gz FIGJKCCKZBVMNM-SECBINFHSA-N 1 2 273.311 3.153 20 30 CGEDLO COc1cc[nH+]cc1CNc1nc(C(C)(C)C)ccc1C#N ZINC000590061106 346823949 /nfs/dbraw/zinc/82/39/49/346823949.db2.gz UUBRJWDHJGKOFU-UHFFFAOYSA-N 1 2 296.374 3.266 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638805 346857783 /nfs/dbraw/zinc/85/77/83/346857783.db2.gz QRUIZMUWVZTLPP-SECBINFHSA-N 1 2 263.728 3.073 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000590638805 346857786 /nfs/dbraw/zinc/85/77/86/346857786.db2.gz QRUIZMUWVZTLPP-SECBINFHSA-N 1 2 263.728 3.073 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C2CCCC2)no1)c1ccc(C#N)cc1 ZINC000338355310 214549378 /nfs/dbraw/zinc/54/93/78/214549378.db2.gz INCFVWQTDSXQQK-GFCCVEGCSA-N 1 2 296.374 3.450 20 30 CGEDLO C=CCOc1c(Cl)cc(C[NH2+]CC(F)F)cc1OC ZINC000623521832 349826206 /nfs/dbraw/zinc/82/62/06/349826206.db2.gz KBJNQSDMIGCELW-UHFFFAOYSA-N 1 2 291.725 3.268 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592058129 346957942 /nfs/dbraw/zinc/95/79/42/346957942.db2.gz APWLNAMHMBZYOR-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592058129 346957944 /nfs/dbraw/zinc/95/79/44/346957944.db2.gz APWLNAMHMBZYOR-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000592505475 346993596 /nfs/dbraw/zinc/99/35/96/346993596.db2.gz UUODLQFGTKXOOP-CQSZACIVSA-N 1 2 294.402 3.305 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000592505475 346993600 /nfs/dbraw/zinc/99/36/00/346993600.db2.gz UUODLQFGTKXOOP-CQSZACIVSA-N 1 2 294.402 3.305 20 30 CGEDLO CC(C)Cn1nccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000592500331 346994100 /nfs/dbraw/zinc/99/41/00/346994100.db2.gz VMVCFVNZZASWMR-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO CC(C)Cn1nccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000592500331 346994102 /nfs/dbraw/zinc/99/41/02/346994102.db2.gz VMVCFVNZZASWMR-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000592514927 346994926 /nfs/dbraw/zinc/99/49/26/346994926.db2.gz LDCYEOFTZKCLBK-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000592514927 346994929 /nfs/dbraw/zinc/99/49/29/346994929.db2.gz LDCYEOFTZKCLBK-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO CN(CCC[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593122887 347043151 /nfs/dbraw/zinc/04/31/51/347043151.db2.gz ASZWDSLOYQZDPM-UHFFFAOYSA-N 1 2 291.398 3.400 20 30 CGEDLO CN(CCC[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000593122887 347043153 /nfs/dbraw/zinc/04/31/53/347043153.db2.gz ASZWDSLOYQZDPM-UHFFFAOYSA-N 1 2 291.398 3.400 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029538684 344918270 /nfs/dbraw/zinc/91/82/70/344918270.db2.gz KGMFVXTWBPNKDB-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000029538684 344918273 /nfs/dbraw/zinc/91/82/73/344918273.db2.gz KGMFVXTWBPNKDB-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Br)cs1 ZINC000042291763 344981992 /nfs/dbraw/zinc/98/19/92/344981992.db2.gz RAQILRSAQFRGEO-MRVPVSSYSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Br)cs1 ZINC000042291763 344981994 /nfs/dbraw/zinc/98/19/94/344981994.db2.gz RAQILRSAQFRGEO-MRVPVSSYSA-N 1 2 273.199 3.245 20 30 CGEDLO N#Cc1c(F)cccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045026506 345019104 /nfs/dbraw/zinc/01/91/04/345019104.db2.gz XDUMSMFJDQAFKF-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000054179701 345130429 /nfs/dbraw/zinc/13/04/29/345130429.db2.gz DQKRTJSHHNBDME-NSHDSACASA-N 1 2 258.296 3.335 20 30 CGEDLO COCC[N@H+](CCC#N)CCc1ccc2ccccc2c1 ZINC000072689126 345416157 /nfs/dbraw/zinc/41/61/57/345416157.db2.gz GGHDBEPBNOLISI-UHFFFAOYSA-N 1 2 282.387 3.244 20 30 CGEDLO COCC[N@@H+](CCC#N)CCc1ccc2ccccc2c1 ZINC000072689126 345416162 /nfs/dbraw/zinc/41/61/62/345416162.db2.gz GGHDBEPBNOLISI-UHFFFAOYSA-N 1 2 282.387 3.244 20 30 CGEDLO N#Cc1ccc(NCCNc2cccc[nH+]2)cc1Cl ZINC000075633301 345516589 /nfs/dbraw/zinc/51/65/89/345516589.db2.gz PGOSHHFRBZESDQ-UHFFFAOYSA-N 1 2 272.739 3.131 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000075682665 345518909 /nfs/dbraw/zinc/51/89/09/345518909.db2.gz FGRXQEOXNLIYAH-NSHDSACASA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000075682665 345518912 /nfs/dbraw/zinc/51/89/12/345518912.db2.gz FGRXQEOXNLIYAH-NSHDSACASA-N 1 2 286.297 3.219 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)cc1 ZINC000078899840 345623676 /nfs/dbraw/zinc/62/36/76/345623676.db2.gz ABKVGQKTYUFGER-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2nc(C)no2)cc1 ZINC000078899840 345623678 /nfs/dbraw/zinc/62/36/78/345623678.db2.gz ABKVGQKTYUFGER-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO CCCOc1ccc(OCC[N@H+](CC)CCC#N)cc1 ZINC000081513842 345711684 /nfs/dbraw/zinc/71/16/84/345711684.db2.gz HVNYBKKLXAAJSE-UHFFFAOYSA-N 1 2 276.380 3.090 20 30 CGEDLO CCCOc1ccc(OCC[N@@H+](CC)CCC#N)cc1 ZINC000081513842 345711685 /nfs/dbraw/zinc/71/16/85/345711685.db2.gz HVNYBKKLXAAJSE-UHFFFAOYSA-N 1 2 276.380 3.090 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)Cc1nc(C)ccc1O ZINC000092404554 345837953 /nfs/dbraw/zinc/83/79/53/345837953.db2.gz XIFUKPLWMGGFBK-UHFFFAOYSA-N 1 2 286.350 3.423 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1nc(C)ccc1O ZINC000092404554 345837956 /nfs/dbraw/zinc/83/79/56/345837956.db2.gz XIFUKPLWMGGFBK-UHFFFAOYSA-N 1 2 286.350 3.423 20 30 CGEDLO Cc1nc(N2Cc3cccc(C#N)c3C2)c2c([nH+]1)CCCC2 ZINC000593520590 347090632 /nfs/dbraw/zinc/09/06/32/347090632.db2.gz RAVSSXJTDMADCX-UHFFFAOYSA-N 1 2 290.370 3.056 20 30 CGEDLO COc1ccc(C[NH2+]CC2(C#N)CCCC2)c(F)c1 ZINC000593653946 347100255 /nfs/dbraw/zinc/10/02/55/347100255.db2.gz KWJCOYPNAUJNCN-UHFFFAOYSA-N 1 2 262.328 3.008 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000405090224 346602893 /nfs/dbraw/zinc/60/28/93/346602893.db2.gz MJEMPHBTTCYBSA-INIZCTEOSA-N 1 2 282.387 3.366 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000405090224 346602895 /nfs/dbraw/zinc/60/28/95/346602895.db2.gz MJEMPHBTTCYBSA-INIZCTEOSA-N 1 2 282.387 3.366 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000595699747 347341796 /nfs/dbraw/zinc/34/17/96/347341796.db2.gz ACRKBZSILAYTET-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000595699747 347341799 /nfs/dbraw/zinc/34/17/99/347341799.db2.gz ACRKBZSILAYTET-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO Cc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841764 347365673 /nfs/dbraw/zinc/36/56/73/347365673.db2.gz NZZDNLJSEGVOGX-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1ccc(Br)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841764 347365677 /nfs/dbraw/zinc/36/56/77/347365677.db2.gz NZZDNLJSEGVOGX-CQSZACIVSA-N 1 2 293.208 3.493 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1Cl ZINC000595842458 347366661 /nfs/dbraw/zinc/36/66/61/347366661.db2.gz RHEAKZUAGPDIHI-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1Cl ZINC000595842458 347366663 /nfs/dbraw/zinc/36/66/63/347366663.db2.gz RHEAKZUAGPDIHI-AWEZNQCLSA-N 1 2 264.756 3.084 20 30 CGEDLO CC1(C)Cc2cccc(C[N@@H+]3CC[C@](C)(C#N)C3)c2O1 ZINC000595844044 347366686 /nfs/dbraw/zinc/36/66/86/347366686.db2.gz PHZPUQPPVYIVFN-QGZVFWFLSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)Cc2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c2O1 ZINC000595844044 347366689 /nfs/dbraw/zinc/36/66/89/347366689.db2.gz PHZPUQPPVYIVFN-QGZVFWFLSA-N 1 2 270.376 3.136 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC2CC2)c1F)C[C@H](C)C#N ZINC000596991415 347525666 /nfs/dbraw/zinc/52/56/66/347525666.db2.gz LVAGGOJPEUMKCW-GFCCVEGCSA-N 1 2 276.355 3.348 20 30 CGEDLO CC[N@H+](Cc1cccc(OC2CC2)c1F)C[C@H](C)C#N ZINC000596991415 347525672 /nfs/dbraw/zinc/52/56/72/347525672.db2.gz LVAGGOJPEUMKCW-GFCCVEGCSA-N 1 2 276.355 3.348 20 30 CGEDLO CC1(C)Cc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2O1 ZINC000597231490 347558836 /nfs/dbraw/zinc/55/88/36/347558836.db2.gz YLDGNAGCBTZLEA-KRWDZBQOSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)Cc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2O1 ZINC000597231490 347558840 /nfs/dbraw/zinc/55/88/40/347558840.db2.gz YLDGNAGCBTZLEA-KRWDZBQOSA-N 1 2 270.376 3.136 20 30 CGEDLO N#CCC1C[NH+](Cc2c(Cl)cccc2Cl)C1 ZINC000597194588 347548613 /nfs/dbraw/zinc/54/86/13/347548613.db2.gz WIOUPVKCSDRPDN-UHFFFAOYSA-N 1 2 255.148 3.339 20 30 CGEDLO N#CC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098288 347716871 /nfs/dbraw/zinc/71/68/71/347716871.db2.gz HEYUTUKSFUSWMX-LBPRGKRZSA-N 1 2 296.330 3.273 20 30 CGEDLO N#CC1(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599681411 347766200 /nfs/dbraw/zinc/76/62/00/347766200.db2.gz NFHGGYZOOMFURF-ZDUSSCGKSA-N 1 2 299.201 3.310 20 30 CGEDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000599478219 347747683 /nfs/dbraw/zinc/74/76/83/347747683.db2.gz LHEBPFYKZBWECI-LRDDRELGSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000599478219 347747684 /nfs/dbraw/zinc/74/76/84/347747684.db2.gz LHEBPFYKZBWECI-LRDDRELGSA-N 1 2 294.345 3.111 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(=O)OCC ZINC000600168684 347788183 /nfs/dbraw/zinc/78/81/83/347788183.db2.gz MUOVTHVTQRXOGE-INIZCTEOSA-N 1 2 286.375 3.155 20 30 CGEDLO Cc1cc(N2CCC3(CCSCC3)CC2)c(C#N)c[nH+]1 ZINC000601216199 347881521 /nfs/dbraw/zinc/88/15/21/347881521.db2.gz JRVHYDQYTPYJDV-UHFFFAOYSA-N 1 2 287.432 3.375 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000602624297 347996252 /nfs/dbraw/zinc/99/62/52/347996252.db2.gz LQMZXEHGPRRYOF-LRDDRELGSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000602624297 347996254 /nfs/dbraw/zinc/99/62/54/347996254.db2.gz LQMZXEHGPRRYOF-LRDDRELGSA-N 1 2 294.345 3.278 20 30 CGEDLO COc1ncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c2ccccc21 ZINC000602806941 348032359 /nfs/dbraw/zinc/03/23/59/348032359.db2.gz UHRNYGPAILTRAU-SFHVURJKSA-N 1 2 295.386 3.369 20 30 CGEDLO COc1ncc(C[N@H+]2CCC[C@@](C)(C#N)C2)c2ccccc21 ZINC000602806941 348032361 /nfs/dbraw/zinc/03/23/61/348032361.db2.gz UHRNYGPAILTRAU-SFHVURJKSA-N 1 2 295.386 3.369 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](C)CC#N ZINC000602860670 348037307 /nfs/dbraw/zinc/03/73/07/348037307.db2.gz DGYGRSKSQCEYJO-NSHDSACASA-N 1 2 255.321 3.042 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000602863077 348038365 /nfs/dbraw/zinc/03/83/65/348038365.db2.gz NQBMTILVUBKVRS-JTQLQIEISA-N 1 2 275.739 3.387 20 30 CGEDLO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602865083 348038447 /nfs/dbraw/zinc/03/84/47/348038447.db2.gz WDIAXEUGTYHWIA-QWHCGFSZSA-N 1 2 273.380 3.030 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602864563 348038450 /nfs/dbraw/zinc/03/84/50/348038450.db2.gz RZNAAYKPNLDPJS-ZIAGYGMSSA-N 1 2 287.407 3.337 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976758 348048397 /nfs/dbraw/zinc/04/83/97/348048397.db2.gz SIHGBXRVCOHVNU-UKRRQHHQSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976758 348048399 /nfs/dbraw/zinc/04/83/99/348048399.db2.gz SIHGBXRVCOHVNU-UKRRQHHQSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1Cl ZINC000602981944 348051243 /nfs/dbraw/zinc/05/12/43/348051243.db2.gz LRAOVSGIZGWEPZ-AAEUAGOBSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1Cl ZINC000602981944 348051247 /nfs/dbraw/zinc/05/12/47/348051247.db2.gz LRAOVSGIZGWEPZ-AAEUAGOBSA-N 1 2 278.783 3.473 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012854 348361244 /nfs/dbraw/zinc/36/12/44/348361244.db2.gz IXMGZFWYGXPOJL-ZDUSSCGKSA-N 1 2 288.391 3.110 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012854 348361246 /nfs/dbraw/zinc/36/12/46/348361246.db2.gz IXMGZFWYGXPOJL-ZDUSSCGKSA-N 1 2 288.391 3.110 20 30 CGEDLO Cc1ccc(NC(=O)NCc2ccc(C#N)cc2F)c(C)[nH+]1 ZINC000610674918 348395119 /nfs/dbraw/zinc/39/51/19/348395119.db2.gz NGMXOFKLJLCXQE-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO CC(C)(C)OCCC[N@H+](CCC#N)Cc1ccco1 ZINC000610682214 348396132 /nfs/dbraw/zinc/39/61/32/348396132.db2.gz WCQQGUBXIDIQKV-UHFFFAOYSA-N 1 2 264.369 3.200 20 30 CGEDLO CC(C)(C)OCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000610682214 348396134 /nfs/dbraw/zinc/39/61/34/348396134.db2.gz WCQQGUBXIDIQKV-UHFFFAOYSA-N 1 2 264.369 3.200 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1cccc(C#N)c1 ZINC000611386066 348443841 /nfs/dbraw/zinc/44/38/41/348443841.db2.gz BRDJCAASIIBDOC-LLVKDONJSA-N 1 2 267.332 3.274 20 30 CGEDLO Cc1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC000612070149 348490268 /nfs/dbraw/zinc/49/02/68/348490268.db2.gz RRQJVFZTXWQNPX-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000612155510 348497981 /nfs/dbraw/zinc/49/79/81/348497981.db2.gz VFMLKTZTRZLLKQ-KRWDZBQOSA-N 1 2 265.360 3.360 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000612155510 348497983 /nfs/dbraw/zinc/49/79/83/348497983.db2.gz VFMLKTZTRZLLKQ-KRWDZBQOSA-N 1 2 265.360 3.360 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000612163219 348498629 /nfs/dbraw/zinc/49/86/29/348498629.db2.gz UALMIZQGNCPEFV-OAHLLOKOSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000612163219 348498630 /nfs/dbraw/zinc/49/86/30/348498630.db2.gz UALMIZQGNCPEFV-OAHLLOKOSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166954 348499356 /nfs/dbraw/zinc/49/93/56/348499356.db2.gz YQVDZPPEUBZYJG-SWLSCSKDSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166954 348499358 /nfs/dbraw/zinc/49/93/58/348499358.db2.gz YQVDZPPEUBZYJG-SWLSCSKDSA-N 1 2 273.336 3.281 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405595 348516890 /nfs/dbraw/zinc/51/68/90/348516890.db2.gz AVLGJFWOGZOFHR-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405595 348516892 /nfs/dbraw/zinc/51/68/92/348516892.db2.gz AVLGJFWOGZOFHR-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000612406511 348517251 /nfs/dbraw/zinc/51/72/51/348517251.db2.gz NXMSUJQZCFBDGK-INIZCTEOSA-N 1 2 284.363 3.104 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000612406511 348517254 /nfs/dbraw/zinc/51/72/54/348517254.db2.gz NXMSUJQZCFBDGK-INIZCTEOSA-N 1 2 284.363 3.104 20 30 CGEDLO COc1c(Br)cccc1C[NH2+]CC(C)(C)C#N ZINC000614247773 348662328 /nfs/dbraw/zinc/66/23/28/348662328.db2.gz UUBTZHVILVCZLC-UHFFFAOYSA-N 1 2 297.196 3.097 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000617037147 348902705 /nfs/dbraw/zinc/90/27/05/348902705.db2.gz IZIDKAOAIHVUJS-GDBMZVCRSA-N 1 2 297.402 3.128 20 30 CGEDLO C=CCCC1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000617419021 348960395 /nfs/dbraw/zinc/96/03/95/348960395.db2.gz TVYMKDXJAODURC-AWEZNQCLSA-N 1 2 289.423 3.231 20 30 CGEDLO C=CCCC1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000617419021 348960399 /nfs/dbraw/zinc/96/03/99/348960399.db2.gz TVYMKDXJAODURC-AWEZNQCLSA-N 1 2 289.423 3.231 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1C ZINC000618606488 349121216 /nfs/dbraw/zinc/12/12/16/349121216.db2.gz MVIWBUKZYMUJAT-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1C ZINC000618606488 349121220 /nfs/dbraw/zinc/12/12/20/349121220.db2.gz MVIWBUKZYMUJAT-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625534854 350182527 /nfs/dbraw/zinc/18/25/27/350182527.db2.gz GTPSBKAEXXNORB-GFCCVEGCSA-N 1 2 261.369 3.125 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625534854 350182529 /nfs/dbraw/zinc/18/25/29/350182529.db2.gz GTPSBKAEXXNORB-GFCCVEGCSA-N 1 2 261.369 3.125 20 30 CGEDLO C=CCC[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000627370606 350357640 /nfs/dbraw/zinc/35/76/40/350357640.db2.gz GCLVCIUNNOBWIX-HNNXBMFYSA-N 1 2 295.386 3.044 20 30 CGEDLO C=CCC[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000627370606 350357642 /nfs/dbraw/zinc/35/76/42/350357642.db2.gz GCLVCIUNNOBWIX-HNNXBMFYSA-N 1 2 295.386 3.044 20 30 CGEDLO C=C1CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000628164597 350419414 /nfs/dbraw/zinc/41/94/14/350419414.db2.gz VSPALPCJDPYSSJ-UHFFFAOYSA-N 1 2 281.197 3.305 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000628315218 350496215 /nfs/dbraw/zinc/49/62/15/350496215.db2.gz CXPQBEPLKNLJAJ-UHFFFAOYSA-N 1 2 285.391 3.063 20 30 CGEDLO C=CCC[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000633131860 351245567 /nfs/dbraw/zinc/24/55/67/351245567.db2.gz LJAKUWQOPKNQOC-HNNXBMFYSA-N 1 2 298.390 3.259 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC000635716987 351685864 /nfs/dbraw/zinc/68/58/64/351685864.db2.gz JMSMGDWFOHJSJA-BZUAXINKSA-N 1 2 295.386 3.337 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC000635716987 351685867 /nfs/dbraw/zinc/68/58/67/351685867.db2.gz JMSMGDWFOHJSJA-BZUAXINKSA-N 1 2 295.386 3.337 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635866973 351699268 /nfs/dbraw/zinc/69/92/68/351699268.db2.gz MAVCEFUSKHXQKL-HUUCEWRRSA-N 1 2 275.396 3.037 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000271487413 191168453 /nfs/dbraw/zinc/16/84/53/191168453.db2.gz LJCKBXFDSHQYNP-SNVBAGLBSA-N 1 2 294.761 3.118 20 30 CGEDLO CCC[N@H+](Cc1nnc(C)s1)Cc1ccc(C#N)cc1 ZINC000271490656 191171050 /nfs/dbraw/zinc/17/10/50/191171050.db2.gz ZUQHLFTYKSNYAJ-UHFFFAOYSA-N 1 2 286.404 3.130 20 30 CGEDLO CCC[N@@H+](Cc1nnc(C)s1)Cc1ccc(C#N)cc1 ZINC000271490656 191171052 /nfs/dbraw/zinc/17/10/52/191171052.db2.gz ZUQHLFTYKSNYAJ-UHFFFAOYSA-N 1 2 286.404 3.130 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000157223288 188303969 /nfs/dbraw/zinc/30/39/69/188303969.db2.gz QYFAQWYFRDYKPH-HNNXBMFYSA-N 1 2 295.329 3.075 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000157223288 188303971 /nfs/dbraw/zinc/30/39/71/188303971.db2.gz QYFAQWYFRDYKPH-HNNXBMFYSA-N 1 2 295.329 3.075 20 30 CGEDLO N#CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000335478259 283050763 /nfs/dbraw/zinc/05/07/63/283050763.db2.gz RMYKISKZTQVDCF-UHFFFAOYSA-N 1 2 255.296 3.114 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1(C#N)CC(C)C1 ZINC000573981894 334982806 /nfs/dbraw/zinc/98/28/06/334982806.db2.gz DCEVUXWZQIUTGN-UHFFFAOYSA-N 1 2 294.358 3.264 20 30 CGEDLO CCOc1ccc(CN(C)c2cc(C)[nH+]cc2C#N)cc1 ZINC000425197654 236220530 /nfs/dbraw/zinc/22/05/30/236220530.db2.gz COOSJNOUQFYHRT-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO Cc1cc(NCc2ccccc2OCC2CC2)c(C#N)c[nH+]1 ZINC000425239907 236221870 /nfs/dbraw/zinc/22/18/70/236221870.db2.gz XQNJJKYCCVHCOO-UHFFFAOYSA-N 1 2 293.370 3.085 20 30 CGEDLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000294677444 199129823 /nfs/dbraw/zinc/12/98/23/199129823.db2.gz BFUDPBIYYAWVRT-HNNXBMFYSA-N 1 2 298.365 3.014 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(Cl)c(C#N)n1 ZINC000294943088 199262937 /nfs/dbraw/zinc/26/29/37/199262937.db2.gz ILZLBXAJIVPAQF-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CCS1 ZINC000437151503 237255008 /nfs/dbraw/zinc/25/50/08/237255008.db2.gz GQULTIZEXMETGW-SNVBAGLBSA-N 1 2 298.358 3.097 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CCS1 ZINC000437151503 237255018 /nfs/dbraw/zinc/25/50/18/237255018.db2.gz GQULTIZEXMETGW-SNVBAGLBSA-N 1 2 298.358 3.097 20 30 CGEDLO Cc1cccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)n1 ZINC000437900732 237367557 /nfs/dbraw/zinc/36/75/57/237367557.db2.gz HYMGFWVUEILUJQ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1cccc(C[N@H+](C)Cc2ccc(F)cc2C#N)n1 ZINC000437900732 237367570 /nfs/dbraw/zinc/36/75/70/237367570.db2.gz HYMGFWVUEILUJQ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)s1 ZINC000341979499 216175180 /nfs/dbraw/zinc/17/51/80/216175180.db2.gz YBJZMSNZRJUFJX-UHFFFAOYSA-N 1 2 283.400 3.411 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)c(Cl)c1 ZINC000439430132 238256886 /nfs/dbraw/zinc/25/68/86/238256886.db2.gz HUPHFRUDMJUNLN-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)c(Cl)c1 ZINC000439430132 238256889 /nfs/dbraw/zinc/25/68/89/238256889.db2.gz HUPHFRUDMJUNLN-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000179622920 189207809 /nfs/dbraw/zinc/20/78/09/189207809.db2.gz IGSMPZJJRDDONC-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000179622920 189207810 /nfs/dbraw/zinc/20/78/10/189207810.db2.gz IGSMPZJJRDDONC-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000537659063 376191707 /nfs/dbraw/zinc/19/17/07/376191707.db2.gz RWDMBGHHBNQFKD-XQJDBVBESA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000537659063 376191713 /nfs/dbraw/zinc/19/17/13/376191713.db2.gz RWDMBGHHBNQFKD-XQJDBVBESA-N 1 2 258.340 3.463 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000121484575 370865225 /nfs/dbraw/zinc/86/52/25/370865225.db2.gz NZUWNEHWGGCGIK-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000121484575 370865230 /nfs/dbraw/zinc/86/52/30/370865230.db2.gz NZUWNEHWGGCGIK-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CNc1cccc(C#N)c1 ZINC000037203148 369075702 /nfs/dbraw/zinc/07/57/02/369075702.db2.gz OMNNOYNJMLVUGH-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(Br)c1 ZINC000042375338 369218520 /nfs/dbraw/zinc/21/85/20/369218520.db2.gz NMMKTUCVQQKQJB-JTQLQIEISA-N 1 2 267.170 3.183 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(Br)c1 ZINC000042375338 369218525 /nfs/dbraw/zinc/21/85/25/369218525.db2.gz NMMKTUCVQQKQJB-JTQLQIEISA-N 1 2 267.170 3.183 20 30 CGEDLO CC[N@@H+](Cc1ccc(Br)o1)C[C@@H](C)C#N ZINC000042449565 369220725 /nfs/dbraw/zinc/22/07/25/369220725.db2.gz UXUOKDBBETZDTE-VIFPVBQESA-N 1 2 271.158 3.024 20 30 CGEDLO CC[N@H+](Cc1ccc(Br)o1)C[C@@H](C)C#N ZINC000042449565 369220731 /nfs/dbraw/zinc/22/07/31/369220731.db2.gz UXUOKDBBETZDTE-VIFPVBQESA-N 1 2 271.158 3.024 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(F)cc1Cl ZINC000091678013 370074896 /nfs/dbraw/zinc/07/48/96/370074896.db2.gz XLPCCURXTBGOLP-SNVBAGLBSA-N 1 2 270.735 3.092 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000091678013 370074897 /nfs/dbraw/zinc/07/48/97/370074897.db2.gz XLPCCURXTBGOLP-SNVBAGLBSA-N 1 2 270.735 3.092 20 30 CGEDLO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)C#N ZINC000091982636 370084504 /nfs/dbraw/zinc/08/45/04/370084504.db2.gz MMXYSVYRCNRKMH-STMXVASLSA-N 1 2 273.336 3.090 20 30 CGEDLO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)C#N ZINC000091982636 370084507 /nfs/dbraw/zinc/08/45/07/370084507.db2.gz MMXYSVYRCNRKMH-STMXVASLSA-N 1 2 273.336 3.090 20 30 CGEDLO N#CCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC1CC1 ZINC000132690446 371195377 /nfs/dbraw/zinc/19/53/77/371195377.db2.gz CSXOTYWTCLZWOL-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO N#CCC[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CC1 ZINC000132690446 371195381 /nfs/dbraw/zinc/19/53/81/371195381.db2.gz CSXOTYWTCLZWOL-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO CCC[N@@H+](CC#N)CCCC(=O)Nc1c(C)cccc1C ZINC000136656711 371481125 /nfs/dbraw/zinc/48/11/25/371481125.db2.gz ZZBXSHDHAJHPRP-UHFFFAOYSA-N 1 2 287.407 3.258 20 30 CGEDLO CCC[N@H+](CC#N)CCCC(=O)Nc1c(C)cccc1C ZINC000136656711 371481129 /nfs/dbraw/zinc/48/11/29/371481129.db2.gz ZZBXSHDHAJHPRP-UHFFFAOYSA-N 1 2 287.407 3.258 20 30 CGEDLO C=CCC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000288192782 371731151 /nfs/dbraw/zinc/73/11/51/371731151.db2.gz NSUISHQVDOYVPA-OAHLLOKOSA-N 1 2 283.375 3.166 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)C(C)(C)C ZINC000290179004 371924030 /nfs/dbraw/zinc/92/40/30/371924030.db2.gz NPLFVZHQDYSKNG-QMMMGPOBSA-N 1 2 276.327 3.299 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC000428460898 372209503 /nfs/dbraw/zinc/20/95/03/372209503.db2.gz HJPTVBTUEQHPOX-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC000428460898 372209508 /nfs/dbraw/zinc/20/95/08/372209508.db2.gz HJPTVBTUEQHPOX-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO CC(C)O[C@H](C[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000428209265 372183088 /nfs/dbraw/zinc/18/30/88/372183088.db2.gz GGLWVJWYMGARED-GOEBONIOSA-N 1 2 260.381 3.387 20 30 CGEDLO CC(C)O[C@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000428209265 372183090 /nfs/dbraw/zinc/18/30/90/372183090.db2.gz GGLWVJWYMGARED-GOEBONIOSA-N 1 2 260.381 3.387 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1c(C)cccc1C ZINC000428858798 372271966 /nfs/dbraw/zinc/27/19/66/372271966.db2.gz XWVOJPOHEARSGT-UHFFFAOYSA-N 1 2 258.365 3.084 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1c(C)cccc1C ZINC000428858798 372271969 /nfs/dbraw/zinc/27/19/69/372271969.db2.gz XWVOJPOHEARSGT-UHFFFAOYSA-N 1 2 258.365 3.084 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCOc1c(C)cccc1C ZINC000428869011 372275148 /nfs/dbraw/zinc/27/51/48/372275148.db2.gz BMMHWOJGYKXQBW-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCOc1c(C)cccc1C ZINC000428869011 372275156 /nfs/dbraw/zinc/27/51/56/372275156.db2.gz BMMHWOJGYKXQBW-UHFFFAOYSA-N 1 2 272.392 3.474 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(C#N)c1 ZINC000162271301 372383578 /nfs/dbraw/zinc/38/35/78/372383578.db2.gz BFAYSYSFJQAYKA-UHFFFAOYSA-N 1 2 292.342 3.248 20 30 CGEDLO C[N@H+](Cc1cncc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433298972 372584985 /nfs/dbraw/zinc/58/49/85/372584985.db2.gz AQLIPEYGZOKXIN-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO C[N@@H+](Cc1cncc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433298972 372584992 /nfs/dbraw/zinc/58/49/92/372584992.db2.gz AQLIPEYGZOKXIN-UHFFFAOYSA-N 1 2 271.286 3.082 20 30 CGEDLO Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000433295222 372585781 /nfs/dbraw/zinc/58/57/81/372585781.db2.gz CRPVBHJKIZNYLZ-UHFFFAOYSA-N 1 2 291.342 3.452 20 30 CGEDLO Cc1nc(C(F)(F)F)c(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000433295222 372585783 /nfs/dbraw/zinc/58/57/83/372585783.db2.gz CRPVBHJKIZNYLZ-UHFFFAOYSA-N 1 2 291.342 3.452 20 30 CGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)c1 ZINC000433304494 372587660 /nfs/dbraw/zinc/58/76/60/372587660.db2.gz KUQOJCWUSUPEJE-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433304494 372587666 /nfs/dbraw/zinc/58/76/66/372587666.db2.gz KUQOJCWUSUPEJE-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO CN(c1ccccc1)c1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000432177757 372544111 /nfs/dbraw/zinc/54/41/11/372544111.db2.gz NXYOPLRNQZOWIQ-UHFFFAOYSA-N 1 2 293.374 3.350 20 30 CGEDLO Clc1ccccc1C#CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000441168207 372997034 /nfs/dbraw/zinc/99/70/34/372997034.db2.gz IUZNHGANVYMKCY-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1ccccc1C#CC[N@H+]1CCOC2(CCCC2)C1 ZINC000441168207 372997037 /nfs/dbraw/zinc/99/70/37/372997037.db2.gz IUZNHGANVYMKCY-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO C=CC[C@H](CO)Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000302153099 373823498 /nfs/dbraw/zinc/82/34/98/373823498.db2.gz VABHRBYRDKMVCH-GFCCVEGCSA-N 1 2 291.439 3.421 20 30 CGEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1Cl ZINC000450609493 374165070 /nfs/dbraw/zinc/16/50/70/374165070.db2.gz DWAWSXFJOCKUKA-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1Cl ZINC000450609493 374165079 /nfs/dbraw/zinc/16/50/79/374165079.db2.gz DWAWSXFJOCKUKA-NSHDSACASA-N 1 2 278.783 3.473 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H]2COC[C@@H]21 ZINC000452120579 374243770 /nfs/dbraw/zinc/24/37/70/374243770.db2.gz RRVCOXSWYXJPIS-LSDHHAIUSA-N 1 2 290.794 3.068 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H]2COC[C@@H]21 ZINC000452120579 374243777 /nfs/dbraw/zinc/24/37/77/374243777.db2.gz RRVCOXSWYXJPIS-LSDHHAIUSA-N 1 2 290.794 3.068 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000182678888 374312110 /nfs/dbraw/zinc/31/21/10/374312110.db2.gz PGMYZHPZOHZZPT-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000182678888 374312118 /nfs/dbraw/zinc/31/21/18/374312118.db2.gz PGMYZHPZOHZZPT-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(CC(C)C)c1 ZINC000183262085 374392471 /nfs/dbraw/zinc/39/24/71/374392471.db2.gz MBPSNIQZGSSBCZ-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(CC(C)C)c1 ZINC000183262085 374392478 /nfs/dbraw/zinc/39/24/78/374392478.db2.gz MBPSNIQZGSSBCZ-UHFFFAOYSA-N 1 2 276.428 3.301 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)ccc2[nH+]1 ZINC000328920650 374394697 /nfs/dbraw/zinc/39/46/97/374394697.db2.gz LYKNYCVUCCCNFM-ZYHUDNBSSA-N 1 2 285.347 3.236 20 30 CGEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329267252 374399898 /nfs/dbraw/zinc/39/98/98/374399898.db2.gz GATFIWGMPRJAKM-YNEHKIRRSA-N 1 2 261.369 3.268 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000330463410 374468985 /nfs/dbraw/zinc/46/89/85/374468985.db2.gz ZJLCOXYBZWAFLU-WOPDTQHZSA-N 1 2 294.424 3.008 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)n1 ZINC000330463410 374468990 /nfs/dbraw/zinc/46/89/90/374468990.db2.gz ZJLCOXYBZWAFLU-WOPDTQHZSA-N 1 2 294.424 3.008 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1F ZINC000334355341 374679720 /nfs/dbraw/zinc/67/97/20/374679720.db2.gz KRKJNLLUVLONCS-HNNXBMFYSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1F ZINC000334355341 374679725 /nfs/dbraw/zinc/67/97/25/374679725.db2.gz KRKJNLLUVLONCS-HNNXBMFYSA-N 1 2 284.338 3.148 20 30 CGEDLO CCc1cccc(Cl)c1C[N@H+](C)C[C@@H](C)C#N ZINC000475584472 375135358 /nfs/dbraw/zinc/13/53/58/375135358.db2.gz SHFZRJXXSVZUPS-NSHDSACASA-N 1 2 250.773 3.494 20 30 CGEDLO CCc1cccc(Cl)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000475584472 375135363 /nfs/dbraw/zinc/13/53/63/375135363.db2.gz SHFZRJXXSVZUPS-NSHDSACASA-N 1 2 250.773 3.494 20 30 CGEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000488169397 375305164 /nfs/dbraw/zinc/30/51/64/375305164.db2.gz ZQVRWTHGSOUGJF-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H]1COC(C)(C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000488169397 375305167 /nfs/dbraw/zinc/30/51/67/375305167.db2.gz ZQVRWTHGSOUGJF-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492890309 375455803 /nfs/dbraw/zinc/45/58/03/375455803.db2.gz BHWSNCQNTXPMRL-BLIJAFNYSA-N 1 2 281.359 3.247 20 30 CGEDLO C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000336244935 375763119 /nfs/dbraw/zinc/76/31/19/375763119.db2.gz XXGSFRCBXGVSJU-DYZYQPBXSA-N 1 2 294.358 3.319 20 30 CGEDLO C=CCCC[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000515591865 375814841 /nfs/dbraw/zinc/81/48/41/375814841.db2.gz IWRUJXYKIKRCIF-SNVBAGLBSA-N 1 2 251.399 3.288 20 30 CGEDLO C=C1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000511101522 375790320 /nfs/dbraw/zinc/79/03/20/375790320.db2.gz NARJOWHWSRBPMZ-UHFFFAOYSA-N 1 2 279.767 3.279 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000520604244 375866133 /nfs/dbraw/zinc/86/61/33/375866133.db2.gz PRFZDGFLRHPHST-CYBMUJFWSA-N 1 2 273.311 3.263 20 30 CGEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000532718685 375952463 /nfs/dbraw/zinc/95/24/63/375952463.db2.gz YEXGILNTYAIFBI-MRXNPFEDSA-N 1 2 267.376 3.124 20 30 CGEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000532718685 375952474 /nfs/dbraw/zinc/95/24/74/375952474.db2.gz YEXGILNTYAIFBI-MRXNPFEDSA-N 1 2 267.376 3.124 20 30 CGEDLO N#CCCCOc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000337282556 376188795 /nfs/dbraw/zinc/18/87/95/376188795.db2.gz IKCRKIJSHYIPON-UHFFFAOYSA-N 1 2 280.318 3.256 20 30 CGEDLO C[C@@H](Cc1ccsc1)[N@H+](CCC#N)Cc1ccccn1 ZINC000542154184 376511708 /nfs/dbraw/zinc/51/17/08/376511708.db2.gz RMPZZSBBFUCWLM-AWEZNQCLSA-N 1 2 285.416 3.490 20 30 CGEDLO C[C@@H](Cc1ccsc1)[N@@H+](CCC#N)Cc1ccccn1 ZINC000542154184 376511719 /nfs/dbraw/zinc/51/17/19/376511719.db2.gz RMPZZSBBFUCWLM-AWEZNQCLSA-N 1 2 285.416 3.490 20 30 CGEDLO C=C1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000264583529 190120411 /nfs/dbraw/zinc/12/04/11/190120411.db2.gz YOUOMHKAEYSCQO-CYBMUJFWSA-N 1 2 269.348 3.450 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339775163 376843141 /nfs/dbraw/zinc/84/31/41/376843141.db2.gz ITUKMQYCTIBACU-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339775163 376843145 /nfs/dbraw/zinc/84/31/45/376843145.db2.gz ITUKMQYCTIBACU-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccno1 ZINC000556839493 376887678 /nfs/dbraw/zinc/88/76/78/376887678.db2.gz WHDASINCLHNZHA-UHFFFAOYSA-N 1 2 274.368 3.030 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccno1 ZINC000556839493 376887683 /nfs/dbraw/zinc/88/76/83/376887683.db2.gz WHDASINCLHNZHA-UHFFFAOYSA-N 1 2 274.368 3.030 20 30 CGEDLO Cc1nsc(NCCCc2[nH]c3ccccc3[nH+]2)c1C#N ZINC000340025720 376894456 /nfs/dbraw/zinc/89/44/56/376894456.db2.gz SZXWUOPBEIUDIB-UHFFFAOYSA-N 1 2 297.387 3.244 20 30 CGEDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2nc(C#N)cs2)o1 ZINC000562068286 377274411 /nfs/dbraw/zinc/27/44/11/377274411.db2.gz QITZYQWIVXTCNP-JOYOIKCWSA-N 1 2 273.361 3.021 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000566429401 377497232 /nfs/dbraw/zinc/49/72/32/377497232.db2.gz VAQYFXKTHDGTHA-WCQYABFASA-N 1 2 293.798 3.257 20 30 CGEDLO CC(C)Oc1ccc2[nH+]ccc(NC[C@@H](C)C#N)c2c1 ZINC000568474145 377519264 /nfs/dbraw/zinc/51/92/64/377519264.db2.gz GSPSWVUGNNIOOU-LBPRGKRZSA-N 1 2 269.348 3.015 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(Br)cc1C#N ZINC000572188656 377545587 /nfs/dbraw/zinc/54/55/87/377545587.db2.gz WRNKCYKXFVKIHV-UHFFFAOYSA-N 1 2 291.192 3.495 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000265480633 190185357 /nfs/dbraw/zinc/18/53/57/190185357.db2.gz LOULHYGSTNDWTG-HNNXBMFYSA-N 1 2 295.386 3.030 20 30 CGEDLO Cc1cc(CNc2nc3c(cc2C#N)CCCC3)cc(C)[nH+]1 ZINC000574029633 377609141 /nfs/dbraw/zinc/60/91/41/377609141.db2.gz WKKPMRXFICHIPK-UHFFFAOYSA-N 1 2 292.386 3.456 20 30 CGEDLO CC(C)COc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000342674233 377726991 /nfs/dbraw/zinc/72/69/91/377726991.db2.gz KEUTYQOYODFDJJ-AWEZNQCLSA-N 1 2 260.381 3.313 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000342674233 377727004 /nfs/dbraw/zinc/72/70/04/377727004.db2.gz KEUTYQOYODFDJJ-AWEZNQCLSA-N 1 2 260.381 3.313 20 30 CGEDLO Cc1ccn2c(/C=C\c3ccc(C#N)cn3)c[nH+]c2c1 ZINC000255637907 377772159 /nfs/dbraw/zinc/77/21/59/377772159.db2.gz KVPRTWLGRQAVNH-PLNGDYQASA-N 1 2 260.300 3.080 20 30 CGEDLO CC[N@H+](Cc1ncc(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000342798306 377800098 /nfs/dbraw/zinc/80/00/98/377800098.db2.gz UGQNLZCTVMNXSW-AWEZNQCLSA-N 1 2 282.391 3.183 20 30 CGEDLO CC[N@@H+](Cc1ncc(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000342798306 377800107 /nfs/dbraw/zinc/80/01/07/377800107.db2.gz UGQNLZCTVMNXSW-AWEZNQCLSA-N 1 2 282.391 3.183 20 30 CGEDLO CCN(Cc1[nH+]cc(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000342798306 377800115 /nfs/dbraw/zinc/80/01/15/377800115.db2.gz UGQNLZCTVMNXSW-AWEZNQCLSA-N 1 2 282.391 3.183 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1c(F)cccc1Cl ZINC000343561225 378021052 /nfs/dbraw/zinc/02/10/52/378021052.db2.gz HNLMZEXQBYXPLE-VIFPVBQESA-N 1 2 252.720 3.433 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(F)cn1 ZINC000345798009 378371450 /nfs/dbraw/zinc/37/14/50/378371450.db2.gz XENVBKQJWSKZDX-UHFFFAOYSA-N 1 2 262.353 3.470 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(F)cn1 ZINC000345798009 378371458 /nfs/dbraw/zinc/37/14/58/378371458.db2.gz XENVBKQJWSKZDX-UHFFFAOYSA-N 1 2 262.353 3.470 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000345839495 378384702 /nfs/dbraw/zinc/38/47/02/378384702.db2.gz FAQPTIKYPSJVTB-NSHDSACASA-N 1 2 273.311 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000345839495 378384709 /nfs/dbraw/zinc/38/47/09/378384709.db2.gz FAQPTIKYPSJVTB-NSHDSACASA-N 1 2 273.311 3.215 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000271115991 378456148 /nfs/dbraw/zinc/45/61/48/378456148.db2.gz FMNCSABXDIYLLX-SECBINFHSA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000271115991 378456154 /nfs/dbraw/zinc/45/61/54/378456154.db2.gz FMNCSABXDIYLLX-SECBINFHSA-N 1 2 274.261 3.436 20 30 CGEDLO COc1ccc2ccccc2c1C[N@H+](C)C[C@@H](C)C#N ZINC000271120344 378456638 /nfs/dbraw/zinc/45/66/38/378456638.db2.gz HQSUFAQPAAPJTP-ZDUSSCGKSA-N 1 2 268.360 3.440 20 30 CGEDLO COc1ccc2ccccc2c1C[N@@H+](C)C[C@@H](C)C#N ZINC000271120344 378456642 /nfs/dbraw/zinc/45/66/42/378456642.db2.gz HQSUFAQPAAPJTP-ZDUSSCGKSA-N 1 2 268.360 3.440 20 30 CGEDLO CCCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271131733 378459857 /nfs/dbraw/zinc/45/98/57/378459857.db2.gz PDBJFSMTGLNHBG-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271131733 378459861 /nfs/dbraw/zinc/45/98/61/378459861.db2.gz PDBJFSMTGLNHBG-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCO[C@H](C)C2)c1 ZINC000271352631 378488836 /nfs/dbraw/zinc/48/88/36/378488836.db2.gz LRQMUORHWUOFQV-MDDWGPDPSA-N 1 2 277.364 3.025 20 30 CGEDLO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cscn1 ZINC000272180048 378578922 /nfs/dbraw/zinc/57/89/22/378578922.db2.gz FTIVIJQYPHOWAL-LLVKDONJSA-N 1 2 269.373 3.355 20 30 CGEDLO CCc1nc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)no1 ZINC000348087835 378784570 /nfs/dbraw/zinc/78/45/70/378784570.db2.gz RMAGGSDCVYUSPE-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO CCc1nc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)no1 ZINC000348087835 378784582 /nfs/dbraw/zinc/78/45/82/378784582.db2.gz RMAGGSDCVYUSPE-UHFFFAOYSA-N 1 2 298.390 3.162 20 30 CGEDLO C=C(C)C[N@@H+](CC(=O)c1cccn1C)Cc1ccccc1 ZINC000348237126 378854693 /nfs/dbraw/zinc/85/46/93/378854693.db2.gz WRRJSQSSLPNEBJ-UHFFFAOYSA-N 1 2 282.387 3.286 20 30 CGEDLO C=C(C)C[N@H+](CC(=O)c1cccn1C)Cc1ccccc1 ZINC000348237126 378854702 /nfs/dbraw/zinc/85/47/02/378854702.db2.gz WRRJSQSSLPNEBJ-UHFFFAOYSA-N 1 2 282.387 3.286 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000277519895 379180067 /nfs/dbraw/zinc/18/00/67/379180067.db2.gz XINNHYKRGPQBOX-RYUDHWBXSA-N 1 2 283.379 3.041 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000277519879 379180090 /nfs/dbraw/zinc/18/00/90/379180090.db2.gz XINNHYKRGPQBOX-NEPJUHHUSA-N 1 2 283.379 3.041 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(F)cc2cccnc21 ZINC000349873057 379431016 /nfs/dbraw/zinc/43/10/16/379431016.db2.gz KAYQTEBTGGEYCC-UHFFFAOYSA-N 1 2 257.312 3.109 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc2cccnc21 ZINC000349873057 379431028 /nfs/dbraw/zinc/43/10/28/379431028.db2.gz KAYQTEBTGGEYCC-UHFFFAOYSA-N 1 2 257.312 3.109 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000279471380 379443292 /nfs/dbraw/zinc/44/32/92/379443292.db2.gz VNJKKPULRZPHDH-WMLDXEAASA-N 1 2 297.402 3.255 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000279471380 379443299 /nfs/dbraw/zinc/44/32/99/379443299.db2.gz VNJKKPULRZPHDH-WMLDXEAASA-N 1 2 297.402 3.255 20 30 CGEDLO Cc1nocc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000351751120 379742431 /nfs/dbraw/zinc/74/24/31/379742431.db2.gz GIUQFINKYAKRTQ-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1nocc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000351751120 379742436 /nfs/dbraw/zinc/74/24/36/379742436.db2.gz GIUQFINKYAKRTQ-IRXDYDNUSA-N 1 2 281.359 3.255 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352420828 379808194 /nfs/dbraw/zinc/80/81/94/379808194.db2.gz HJGHKBLUAVRIQJ-SNVBAGLBSA-N 1 2 282.290 3.414 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352420828 379808196 /nfs/dbraw/zinc/80/81/96/379808196.db2.gz HJGHKBLUAVRIQJ-SNVBAGLBSA-N 1 2 282.290 3.414 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(CC)CC ZINC000411187799 380134614 /nfs/dbraw/zinc/13/46/14/380134614.db2.gz QRLOGZVWTBKJTL-AWEZNQCLSA-N 1 2 292.398 3.071 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(CC)CC ZINC000411187799 380134616 /nfs/dbraw/zinc/13/46/16/380134616.db2.gz QRLOGZVWTBKJTL-AWEZNQCLSA-N 1 2 292.398 3.071 20 30 CGEDLO CCc1cc(N)nc(S[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000279050306 194263179 /nfs/dbraw/zinc/26/31/79/194263179.db2.gz HFDXWTOUEPKQIZ-JTQLQIEISA-N 1 2 284.388 3.346 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1Cl)CC(C)(C)C#N ZINC000354019689 380283653 /nfs/dbraw/zinc/28/36/53/380283653.db2.gz ZUYDTWRJNHPYFE-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1Cl)CC(C)(C)C#N ZINC000354019689 380283661 /nfs/dbraw/zinc/28/36/61/380283661.db2.gz ZUYDTWRJNHPYFE-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OC ZINC000354034326 380289497 /nfs/dbraw/zinc/28/94/97/380289497.db2.gz QJAPWSRAWFNOKD-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OC ZINC000354034326 380289502 /nfs/dbraw/zinc/28/95/02/380289502.db2.gz QJAPWSRAWFNOKD-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO C[N@H+](Cc1c(F)cccc1N1CCCC1)CC(C)(C)C#N ZINC000354033725 380289538 /nfs/dbraw/zinc/28/95/38/380289538.db2.gz ACFAOHNHJRQVHA-UHFFFAOYSA-N 1 2 289.398 3.407 20 30 CGEDLO C[N@@H+](Cc1c(F)cccc1N1CCCC1)CC(C)(C)C#N ZINC000354033725 380289544 /nfs/dbraw/zinc/28/95/44/380289544.db2.gz ACFAOHNHJRQVHA-UHFFFAOYSA-N 1 2 289.398 3.407 20 30 CGEDLO C[N@H+](Cc1ccccc1OC(F)F)CC(C)(C)C#N ZINC000354041018 380294203 /nfs/dbraw/zinc/29/42/03/380294203.db2.gz QKFUSGNZOROBAN-UHFFFAOYSA-N 1 2 268.307 3.270 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC(F)F)CC(C)(C)C#N ZINC000354041018 380294206 /nfs/dbraw/zinc/29/42/06/380294206.db2.gz QKFUSGNZOROBAN-UHFFFAOYSA-N 1 2 268.307 3.270 20 30 CGEDLO COc1cc2c(c(C[N@H+](C)CC(C)(C)C#N)c1)O[C@@H](C)C2 ZINC000354043434 380295912 /nfs/dbraw/zinc/29/59/12/380295912.db2.gz XYWVFVPLHHCDLP-LBPRGKRZSA-N 1 2 288.391 3.000 20 30 CGEDLO COc1cc2c(c(C[N@@H+](C)CC(C)(C)C#N)c1)O[C@@H](C)C2 ZINC000354043434 380295915 /nfs/dbraw/zinc/29/59/15/380295915.db2.gz XYWVFVPLHHCDLP-LBPRGKRZSA-N 1 2 288.391 3.000 20 30 CGEDLO C=CCCC1(C(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000355674562 380747340 /nfs/dbraw/zinc/74/73/40/380747340.db2.gz OIKOMLXWQKIDAT-UHFFFAOYSA-N 1 2 287.407 3.136 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420904146 380859427 /nfs/dbraw/zinc/85/94/27/380859427.db2.gz BMJHNKVXFUNRPD-UHFFFAOYSA-N 1 2 255.793 3.252 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420904146 380859438 /nfs/dbraw/zinc/85/94/38/380859438.db2.gz BMJHNKVXFUNRPD-UHFFFAOYSA-N 1 2 255.793 3.252 20 30 CGEDLO N#Cc1cccc(Cl)c1NCc1ccn2cc[nH+]c2c1 ZINC000357504965 381185544 /nfs/dbraw/zinc/18/55/44/381185544.db2.gz RGFYZPRUDJXOAW-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=CCOCCCSCc1cn2ccccc2[nH+]1 ZINC000359124477 381337327 /nfs/dbraw/zinc/33/73/27/381337327.db2.gz SPKDUFSFOBSIAN-UHFFFAOYSA-N 1 2 262.378 3.160 20 30 CGEDLO C=CCOCCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000358558999 381316165 /nfs/dbraw/zinc/31/61/65/381316165.db2.gz LZIFIARLQZHZEM-UHFFFAOYSA-N 1 2 285.269 3.043 20 30 CGEDLO C=C(Br)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000359867193 381378681 /nfs/dbraw/zinc/37/86/81/381378681.db2.gz GYPYEXXNGNWRDX-ZWNOBZJWSA-N 1 2 281.197 3.373 20 30 CGEDLO C=C(Br)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000359867193 381378683 /nfs/dbraw/zinc/37/86/83/381378683.db2.gz GYPYEXXNGNWRDX-ZWNOBZJWSA-N 1 2 281.197 3.373 20 30 CGEDLO C=C(Br)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000359867190 381378806 /nfs/dbraw/zinc/37/88/06/381378806.db2.gz GYPYEXXNGNWRDX-MFKMUULPSA-N 1 2 281.197 3.373 20 30 CGEDLO C=C(Br)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000359867190 381378812 /nfs/dbraw/zinc/37/88/12/381378812.db2.gz GYPYEXXNGNWRDX-MFKMUULPSA-N 1 2 281.197 3.373 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000359888660 381378868 /nfs/dbraw/zinc/37/88/68/381378868.db2.gz UYVZGECJBUKTQA-UHFFFAOYSA-N 1 2 253.349 3.368 20 30 CGEDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361509692 381780736 /nfs/dbraw/zinc/78/07/36/381780736.db2.gz WKAYGUHDOIRUSG-NSHDSACASA-N 1 2 289.329 3.368 20 30 CGEDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361509692 381780737 /nfs/dbraw/zinc/78/07/37/381780737.db2.gz WKAYGUHDOIRUSG-NSHDSACASA-N 1 2 289.329 3.368 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361568868 381811062 /nfs/dbraw/zinc/81/10/62/381811062.db2.gz RRSOSJYJHGQCPU-UHFFFAOYSA-N 1 2 267.376 3.397 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361568868 381811067 /nfs/dbraw/zinc/81/10/67/381811067.db2.gz RRSOSJYJHGQCPU-UHFFFAOYSA-N 1 2 267.376 3.397 20 30 CGEDLO CCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000369026779 382385031 /nfs/dbraw/zinc/38/50/31/382385031.db2.gz DOYTZISGRICOCY-OAHLLOKOSA-N 1 2 272.396 3.454 20 30 CGEDLO COC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000347613879 533084705 /nfs/dbraw/zinc/08/47/05/533084705.db2.gz DXZGTGMZUNZGOU-HNNXBMFYSA-N 1 2 289.762 3.262 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000192222950 533112942 /nfs/dbraw/zinc/11/29/42/533112942.db2.gz AMWMXVGRPAEVBF-SNVBAGLBSA-N 1 2 275.739 3.016 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000192222950 533112946 /nfs/dbraw/zinc/11/29/46/533112946.db2.gz AMWMXVGRPAEVBF-SNVBAGLBSA-N 1 2 275.739 3.016 20 30 CGEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(CC)n1 ZINC000237057627 533196300 /nfs/dbraw/zinc/19/63/00/533196300.db2.gz RMQKDCWKAVOHNC-UHFFFAOYSA-N 1 2 286.400 3.007 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000367317738 533496586 /nfs/dbraw/zinc/49/65/86/533496586.db2.gz BKZGQNQSSPTDHR-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000367317738 533496589 /nfs/dbraw/zinc/49/65/89/533496589.db2.gz BKZGQNQSSPTDHR-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO N#Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1Cl ZINC000057776932 392111722 /nfs/dbraw/zinc/11/17/22/392111722.db2.gz LCWDKRRCCLVRLO-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H]1CC=CCC1 ZINC000093100364 392234782 /nfs/dbraw/zinc/23/47/82/392234782.db2.gz MOFWKBURRZUVIB-OAHLLOKOSA-N 1 2 255.365 3.154 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H]1CC=CCC1 ZINC000093100364 392234785 /nfs/dbraw/zinc/23/47/85/392234785.db2.gz MOFWKBURRZUVIB-OAHLLOKOSA-N 1 2 255.365 3.154 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282076975 392280737 /nfs/dbraw/zinc/28/07/37/392280737.db2.gz HJYDMLSMVFCSFR-CQSZACIVSA-N 1 2 285.391 3.144 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000289216227 392417251 /nfs/dbraw/zinc/41/72/51/392417251.db2.gz TVAXWNCJUGKCIP-LBPRGKRZSA-N 1 2 295.346 3.387 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000123774994 392431139 /nfs/dbraw/zinc/43/11/39/392431139.db2.gz MSWFKUDKUOLKAN-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000121010527 392406726 /nfs/dbraw/zinc/40/67/26/392406726.db2.gz JYIDPAXPJIOHAA-WDEREUQCSA-N 1 2 263.291 3.059 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCCc2ccccn2)c1O ZINC000178764076 392684332 /nfs/dbraw/zinc/68/43/32/392684332.db2.gz HLEMHOXHEKHNNG-QGOAFFKASA-N 1 2 284.359 3.238 20 30 CGEDLO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C#N)CC1 ZINC000175137855 392649006 /nfs/dbraw/zinc/64/90/06/392649006.db2.gz RXOLYZRUXQJLCZ-NSHDSACASA-N 1 2 261.369 3.269 20 30 CGEDLO N#CCC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000334252873 392714642 /nfs/dbraw/zinc/71/46/42/392714642.db2.gz JNUHPKNZWDFXGB-UHFFFAOYSA-N 1 2 269.270 3.230 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(C#N)cc2C)o1 ZINC000186234230 392780535 /nfs/dbraw/zinc/78/05/35/392780535.db2.gz GFTZRPQCUFUEMD-KRWDZBQOSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(C#N)cc2C)o1 ZINC000186234230 392780539 /nfs/dbraw/zinc/78/05/39/392780539.db2.gz GFTZRPQCUFUEMD-KRWDZBQOSA-N 1 2 296.370 3.342 20 30 CGEDLO C[C@@H](C#N)CN(Cc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000338374571 392912407 /nfs/dbraw/zinc/91/24/07/392912407.db2.gz DGUFNHLYWIGTSI-NSHDSACASA-N 1 2 288.782 3.112 20 30 CGEDLO N#CC1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000336426553 392856517 /nfs/dbraw/zinc/85/65/17/392856517.db2.gz HAZGQLFZGMGZHL-UHFFFAOYSA-N 1 2 275.352 3.171 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338926529 392935446 /nfs/dbraw/zinc/93/54/46/392935446.db2.gz ORBUTLSKUUQWHL-LLVKDONJSA-N 1 2 286.379 3.170 20 30 CGEDLO C=CC[C@@H](CO)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000342918090 393013229 /nfs/dbraw/zinc/01/32/29/393013229.db2.gz PDXQLTRCOIMPNP-LLVKDONJSA-N 1 2 276.767 3.485 20 30 CGEDLO CCC[N@H+](CC1(C#N)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000343304020 393024800 /nfs/dbraw/zinc/02/48/00/393024800.db2.gz PFHNPNRTTIVLGL-AWEZNQCLSA-N 1 2 285.391 3.029 20 30 CGEDLO CCC[N@@H+](CC1(C#N)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000343304020 393024805 /nfs/dbraw/zinc/02/48/05/393024805.db2.gz PFHNPNRTTIVLGL-AWEZNQCLSA-N 1 2 285.391 3.029 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)CC1(C#N)CC1 ZINC000258908906 393138384 /nfs/dbraw/zinc/13/83/84/393138384.db2.gz LWKJULGUVWZEAO-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)CC1(C#N)CC1 ZINC000258908906 393138388 /nfs/dbraw/zinc/13/83/88/393138388.db2.gz LWKJULGUVWZEAO-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO CCOc1ccc(C[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356057621 393353333 /nfs/dbraw/zinc/35/33/33/393353333.db2.gz NPCSWGHRCWXLLV-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356057621 393353337 /nfs/dbraw/zinc/35/33/37/393353337.db2.gz NPCSWGHRCWXLLV-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000430098435 393522973 /nfs/dbraw/zinc/52/29/73/393522973.db2.gz IXSRUVDSMDOILI-UHFFFAOYSA-N 1 2 294.358 3.171 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000430098435 393522978 /nfs/dbraw/zinc/52/29/78/393522978.db2.gz IXSRUVDSMDOILI-UHFFFAOYSA-N 1 2 294.358 3.171 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420941262 393550154 /nfs/dbraw/zinc/55/01/54/393550154.db2.gz FHBRDLJIEYTYAO-SECBINFHSA-N 1 2 289.326 3.179 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420941262 393550157 /nfs/dbraw/zinc/55/01/57/393550157.db2.gz FHBRDLJIEYTYAO-SECBINFHSA-N 1 2 289.326 3.179 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361060493 393660675 /nfs/dbraw/zinc/66/06/75/393660675.db2.gz WNYOZEIMQLDBBU-IYOUNJFTSA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361060493 393660677 /nfs/dbraw/zinc/66/06/77/393660677.db2.gz WNYOZEIMQLDBBU-IYOUNJFTSA-N 1 2 299.418 3.006 20 30 CGEDLO Cc1cc(N2CCCC3(CCCC3)C2)c(C#N)c[nH+]1 ZINC000425251636 393690709 /nfs/dbraw/zinc/69/07/09/393690709.db2.gz FUKZZURCYYQYSQ-UHFFFAOYSA-N 1 2 255.365 3.422 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000491643248 393697980 /nfs/dbraw/zinc/69/79/80/393697980.db2.gz ZYUCXIQQXGRLIB-JTQLQIEISA-N 1 2 276.286 3.073 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000491643248 393697981 /nfs/dbraw/zinc/69/79/81/393697981.db2.gz ZYUCXIQQXGRLIB-JTQLQIEISA-N 1 2 276.286 3.073 20 30 CGEDLO C=CCCC(C)(C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000666974126 542830830 /nfs/dbraw/zinc/83/08/30/542830830.db2.gz JPAPWRCAQDRGAZ-UHFFFAOYSA-N 1 2 272.352 3.201 20 30 CGEDLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453191456 394200480 /nfs/dbraw/zinc/20/04/80/394200480.db2.gz INMOYNHZKQCIMF-VXGBXAGGSA-N 1 2 286.354 3.326 20 30 CGEDLO C=CCCCN(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668155505 542977065 /nfs/dbraw/zinc/97/70/65/542977065.db2.gz REDZLYRHYSDGMH-UHFFFAOYSA-N 1 2 272.352 3.073 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668824604 543067621 /nfs/dbraw/zinc/06/76/21/543067621.db2.gz RFRWUHAUDCTSCU-INIZCTEOSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000668824604 543067624 /nfs/dbraw/zinc/06/76/24/543067624.db2.gz RFRWUHAUDCTSCU-INIZCTEOSA-N 1 2 297.345 3.107 20 30 CGEDLO C[N@H+](CC1(C#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342160039 397684222 /nfs/dbraw/zinc/68/42/22/397684222.db2.gz HWVMPMMLBKIMJL-GOSISDBHSA-N 1 2 282.387 3.261 20 30 CGEDLO C[N@@H+](CC1(C#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342160039 397684225 /nfs/dbraw/zinc/68/42/25/397684225.db2.gz HWVMPMMLBKIMJL-GOSISDBHSA-N 1 2 282.387 3.261 20 30 CGEDLO C=CCN(CC1CCCCC1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000676492181 543400310 /nfs/dbraw/zinc/40/03/10/543400310.db2.gz LLDODTXUDOUBJH-UHFFFAOYSA-N 1 2 297.406 3.235 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000678714813 543549526 /nfs/dbraw/zinc/54/95/26/543549526.db2.gz QUQKEGPWTAGAEB-GZBFAFLISA-N 1 2 263.406 3.312 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000678714813 543549530 /nfs/dbraw/zinc/54/95/30/543549530.db2.gz QUQKEGPWTAGAEB-GZBFAFLISA-N 1 2 263.406 3.312 20 30 CGEDLO CC(C)[N@H+](Cc1nc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000063750727 165031345 /nfs/dbraw/zinc/03/13/45/165031345.db2.gz CNSQUIAEDHFDNO-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO CC(C)[N@@H+](Cc1nc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000063750727 165031351 /nfs/dbraw/zinc/03/13/51/165031351.db2.gz CNSQUIAEDHFDNO-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1nccs1 ZINC000080280085 165154266 /nfs/dbraw/zinc/15/42/66/165154266.db2.gz BXWKSOYZBWDODE-CYBMUJFWSA-N 1 2 257.362 3.256 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](c2ccccc2)CO1 ZINC000093660650 165335312 /nfs/dbraw/zinc/33/53/12/165335312.db2.gz QMKLCXWDUHWNIC-DYVFJYSZSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](c2ccccc2)CO1 ZINC000093660650 165335314 /nfs/dbraw/zinc/33/53/14/165335314.db2.gz QMKLCXWDUHWNIC-DYVFJYSZSA-N 1 2 282.343 3.113 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000043512025 175060724 /nfs/dbraw/zinc/06/07/24/175060724.db2.gz ONTDXFTVCJAJKF-UHFFFAOYSA-N 1 2 256.271 3.441 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000043512025 175060725 /nfs/dbraw/zinc/06/07/25/175060725.db2.gz ONTDXFTVCJAJKF-UHFFFAOYSA-N 1 2 256.271 3.441 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)s1 ZINC000044296849 175161353 /nfs/dbraw/zinc/16/13/53/175161353.db2.gz UAOUKJFCKOJORC-QMMMGPOBSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000044296849 175161354 /nfs/dbraw/zinc/16/13/54/175161354.db2.gz UAOUKJFCKOJORC-QMMMGPOBSA-N 1 2 273.199 3.102 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1c[nH+]c2cccc(C)n12 ZINC000354844888 227160040 /nfs/dbraw/zinc/16/00/40/227160040.db2.gz DQVSTUJRIVUFMS-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO CC#CCC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000653835207 419093338 /nfs/dbraw/zinc/09/33/38/419093338.db2.gz NAYWJKRGMWMNHW-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO CC#CCC[N@H+]1CCOc2cccc(Br)c2C1 ZINC000653835207 419093341 /nfs/dbraw/zinc/09/33/41/419093341.db2.gz NAYWJKRGMWMNHW-UHFFFAOYSA-N 1 2 294.192 3.057 20 30 CGEDLO C=CC[N@H+](Cc1ncc(Cl)cc1Cl)[C@H](C)COC ZINC000661241331 419244416 /nfs/dbraw/zinc/24/44/16/419244416.db2.gz VXQOFDJYJHGGNA-SNVBAGLBSA-N 1 2 289.206 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(Cl)cc1Cl)[C@H](C)COC ZINC000661241331 419244418 /nfs/dbraw/zinc/24/44/18/419244418.db2.gz VXQOFDJYJHGGNA-SNVBAGLBSA-N 1 2 289.206 3.411 20 30 CGEDLO C=CCCC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661730586 419291353 /nfs/dbraw/zinc/29/13/53/419291353.db2.gz FWIFMCSSFBWDFM-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=CCCC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661730586 419291354 /nfs/dbraw/zinc/29/13/54/419291354.db2.gz FWIFMCSSFBWDFM-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661727863 419291448 /nfs/dbraw/zinc/29/14/48/419291448.db2.gz RBKYMBXTIBBGRP-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661727863 419291450 /nfs/dbraw/zinc/29/14/50/419291450.db2.gz RBKYMBXTIBBGRP-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=CCn1cc(C[NH2+]Cc2cc3cccc(CC)c3o2)nn1 ZINC000657495194 419293325 /nfs/dbraw/zinc/29/33/25/419293325.db2.gz IOWMXKUWIHCZOG-UHFFFAOYSA-N 1 2 296.374 3.063 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000356127327 228132434 /nfs/dbraw/zinc/13/24/34/228132434.db2.gz NSQCLZRDNXWGOA-CQSZACIVSA-N 1 2 298.415 3.091 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000356127327 228132436 /nfs/dbraw/zinc/13/24/36/228132436.db2.gz NSQCLZRDNXWGOA-CQSZACIVSA-N 1 2 298.415 3.091 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C(C)(C)C)n1 ZINC000662079276 419333084 /nfs/dbraw/zinc/33/30/84/419333084.db2.gz JLEMLNOQWPPVOH-TXEJJXNPSA-N 1 2 261.369 3.050 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C(C)(C)C)n1 ZINC000662079276 419333085 /nfs/dbraw/zinc/33/30/85/419333085.db2.gz JLEMLNOQWPPVOH-TXEJJXNPSA-N 1 2 261.369 3.050 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nc(CC)no1 ZINC000297852444 260135838 /nfs/dbraw/zinc/13/58/38/260135838.db2.gz LIRSLGLKYYKOOI-CYBMUJFWSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nc(CC)no1 ZINC000297852444 260135839 /nfs/dbraw/zinc/13/58/39/260135839.db2.gz LIRSLGLKYYKOOI-CYBMUJFWSA-N 1 2 271.364 3.381 20 30 CGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1Br ZINC000068607794 260143688 /nfs/dbraw/zinc/14/36/88/260143688.db2.gz SZGZMFJRHLNWPT-UWVGGRQHSA-N 1 2 267.170 3.402 20 30 CGEDLO C=C(Cl)CN1C[C@H](C)[N@@H+](CC(=C)Cl)CC1(C)C ZINC000298347944 260151562 /nfs/dbraw/zinc/15/15/62/260151562.db2.gz MJCNXTATIIGHSX-LBPRGKRZSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)CN1C[C@H](C)[N@H+](CC(=C)Cl)CC1(C)C ZINC000298347944 260151564 /nfs/dbraw/zinc/15/15/64/260151564.db2.gz MJCNXTATIIGHSX-LBPRGKRZSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)CN1CC(C)(C)[N@@H+](CC(=C)Cl)C[C@@H]1C ZINC000298347944 260151565 /nfs/dbraw/zinc/15/15/65/260151565.db2.gz MJCNXTATIIGHSX-LBPRGKRZSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)CN1CC(C)(C)[N@H+](CC(=C)Cl)C[C@@H]1C ZINC000298347944 260151567 /nfs/dbraw/zinc/15/15/67/260151567.db2.gz MJCNXTATIIGHSX-LBPRGKRZSA-N 1 2 277.239 3.276 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000299462812 260186480 /nfs/dbraw/zinc/18/64/80/260186480.db2.gz XNZQRYOTBNAWRA-JTQLQIEISA-N 1 2 293.754 3.148 20 30 CGEDLO CCc1[nH+]c2ccccc2n1C[C@@H](C#N)CCC#N ZINC000120992401 260706250 /nfs/dbraw/zinc/70/62/50/260706250.db2.gz RNWATIFXANLIQH-GFCCVEGCSA-N 1 2 252.321 3.042 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2SC)n1 ZINC000491242879 261386271 /nfs/dbraw/zinc/38/62/71/261386271.db2.gz SNRXYFVDGGWVJT-UHFFFAOYSA-N 1 2 299.443 3.260 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2SC)n1 ZINC000491242879 261386272 /nfs/dbraw/zinc/38/62/72/261386272.db2.gz SNRXYFVDGGWVJT-UHFFFAOYSA-N 1 2 299.443 3.260 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000184083837 262007912 /nfs/dbraw/zinc/00/79/12/262007912.db2.gz YDONDQBUOFGEGC-ZDUSSCGKSA-N 1 2 275.371 3.208 20 30 CGEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCC#N ZINC000189484809 262172313 /nfs/dbraw/zinc/17/23/13/262172313.db2.gz HXDQWQHYMQKHEJ-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCC#N ZINC000189484809 262172314 /nfs/dbraw/zinc/17/23/14/262172314.db2.gz HXDQWQHYMQKHEJ-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO CC(C)(C)n1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000191461146 262191962 /nfs/dbraw/zinc/19/19/62/262191962.db2.gz UHPWZVJCGTXCAI-INIZCTEOSA-N 1 2 297.406 3.168 20 30 CGEDLO CCOc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000354025919 262280367 /nfs/dbraw/zinc/28/03/67/262280367.db2.gz KUNYPEWPCNOHJQ-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO CCOc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000354025919 262280368 /nfs/dbraw/zinc/28/03/68/262280368.db2.gz KUNYPEWPCNOHJQ-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000272032292 263001338 /nfs/dbraw/zinc/00/13/38/263001338.db2.gz PLSLSXFPSWRILH-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000272032292 263001339 /nfs/dbraw/zinc/00/13/39/263001339.db2.gz PLSLSXFPSWRILH-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO CC1(C#N)CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000272538521 263006396 /nfs/dbraw/zinc/00/63/96/263006396.db2.gz RMJIXLSOTGJGRQ-UHFFFAOYSA-N 1 2 269.270 3.230 20 30 CGEDLO Cc1cnc([C@@H](C)C/[NH+]=C/c2cccc(O)c2O)s1 ZINC000273185879 263013648 /nfs/dbraw/zinc/01/36/48/263013648.db2.gz HXYMTVSQEBDPRN-HVIDBACLSA-N 1 2 276.361 3.085 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000275605396 263033857 /nfs/dbraw/zinc/03/38/57/263033857.db2.gz LRIPZDGBDVXLEN-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CCCCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000291618678 263124293 /nfs/dbraw/zinc/12/42/93/263124293.db2.gz FEYOBJXIPWJKJU-UHFFFAOYSA-N 1 2 282.347 3.463 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1cc(F)ncc1F)c1ccccc1 ZINC000295871521 263183270 /nfs/dbraw/zinc/18/32/70/263183270.db2.gz XJRGFZWWCWTUEM-HNNXBMFYSA-N 1 2 287.313 3.494 20 30 CGEDLO C=CCC(C)(C)c1noc(Cc2ccc[nH+]c2C)n1 ZINC000340771977 263305587 /nfs/dbraw/zinc/30/55/87/263305587.db2.gz JCPZRRVJHYHGLX-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CCN(Cc1ccc(Cl)s1)Cc1[nH+]ccn1C ZINC000070949980 264243447 /nfs/dbraw/zinc/24/34/47/264243447.db2.gz NPWDUCLNJKHSCO-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=C[C@](C)(CC)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000289153004 264705887 /nfs/dbraw/zinc/70/58/87/264705887.db2.gz ZIRDJTQEEOEVDF-MRXNPFEDSA-N 1 2 282.347 3.162 20 30 CGEDLO CC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000356754869 266170029 /nfs/dbraw/zinc/17/00/29/266170029.db2.gz DSJJPUXKZICJBZ-CABCVRRESA-N 1 2 296.374 3.065 20 30 CGEDLO CC[C@H]1C[C@@H](C[N@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913590 266211403 /nfs/dbraw/zinc/21/14/03/266211403.db2.gz KULXUSWSLGBOPX-GJZGRUSLSA-N 1 2 276.380 3.200 20 30 CGEDLO CC[C@H]1C[C@@H](C[N@@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913590 266211405 /nfs/dbraw/zinc/21/14/05/266211405.db2.gz KULXUSWSLGBOPX-GJZGRUSLSA-N 1 2 276.380 3.200 20 30 CGEDLO CC[C@H]1C[C@H](C[N@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999559 266229117 /nfs/dbraw/zinc/22/91/17/266229117.db2.gz VECIPQBVXIDLKO-WBVHZDCISA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@H]1C[C@H](C[N@@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999559 266229119 /nfs/dbraw/zinc/22/91/19/266229119.db2.gz VECIPQBVXIDLKO-WBVHZDCISA-N 1 2 287.407 3.002 20 30 CGEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CCC)c1C)C1CC1 ZINC000357524230 266315407 /nfs/dbraw/zinc/31/54/07/266315407.db2.gz BNGJXANMDDVAFV-UHFFFAOYSA-N 1 2 274.408 3.348 20 30 CGEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CCC)c1C)C1CC1 ZINC000357524230 266315410 /nfs/dbraw/zinc/31/54/10/266315410.db2.gz BNGJXANMDDVAFV-UHFFFAOYSA-N 1 2 274.408 3.348 20 30 CGEDLO N#CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000360155668 266687646 /nfs/dbraw/zinc/68/76/46/266687646.db2.gz MRGXMXXMHRPVAU-UHFFFAOYSA-N 1 2 288.738 3.158 20 30 CGEDLO C=CCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115315590 267094923 /nfs/dbraw/zinc/09/49/23/267094923.db2.gz FKOCOSXNCQPCNI-UHFFFAOYSA-N 1 2 268.316 3.098 20 30 CGEDLO CCOc1cccc(C[N@H+](CCC#N)CC(C)(C)C)n1 ZINC000119188632 267305818 /nfs/dbraw/zinc/30/58/18/267305818.db2.gz UGNJKBXMTGKIIL-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCOc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)n1 ZINC000119188632 267305820 /nfs/dbraw/zinc/30/58/20/267305820.db2.gz UGNJKBXMTGKIIL-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C[C@H]1CCc2nc(C[NH2+]CC3(C#N)CCC3)sc2C1 ZINC000418137337 267372383 /nfs/dbraw/zinc/37/23/83/267372383.db2.gz DRBLEQHBIZHUFB-NSHDSACASA-N 1 2 275.421 3.051 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000354056782 268247855 /nfs/dbraw/zinc/24/78/55/268247855.db2.gz MYARALJZGSHLJU-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1 ZINC000354056782 268247858 /nfs/dbraw/zinc/24/78/58/268247858.db2.gz MYARALJZGSHLJU-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000563366153 328059595 /nfs/dbraw/zinc/05/95/95/328059595.db2.gz HEQAFVHLQCLDSR-HUUCEWRRSA-N 1 2 287.407 3.221 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC000267163398 328173713 /nfs/dbraw/zinc/17/37/13/328173713.db2.gz GMOMRNQQCZEHMG-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC000267163398 328173715 /nfs/dbraw/zinc/17/37/15/328173715.db2.gz GMOMRNQQCZEHMG-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO COc1c(C)c[nH+]c(CSc2cccnc2C#N)c1C ZINC000568531935 322213117 /nfs/dbraw/zinc/21/31/17/322213117.db2.gz UBDLDQOERGAXRK-UHFFFAOYSA-N 1 2 285.372 3.266 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)C(C)C)c(Cl)c1 ZINC000535073160 328384473 /nfs/dbraw/zinc/38/44/73/328384473.db2.gz HXBJGRWLECNABR-UHFFFAOYSA-N 1 2 266.772 3.473 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)C(C)C)c(Cl)c1 ZINC000535073160 328384474 /nfs/dbraw/zinc/38/44/74/328384474.db2.gz HXBJGRWLECNABR-UHFFFAOYSA-N 1 2 266.772 3.473 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000298881197 326924552 /nfs/dbraw/zinc/92/45/52/326924552.db2.gz KDEBVCDAJDUGIJ-GFCCVEGCSA-N 1 2 257.761 3.335 20 30 CGEDLO COc1ccc(C[NH2+]CC(C)(F)F)cc1OCCCC#N ZINC000559323754 327159033 /nfs/dbraw/zinc/15/90/33/327159033.db2.gz JMSKPBWJECWZJJ-UHFFFAOYSA-N 1 2 298.333 3.123 20 30 CGEDLO C=CCCC1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CC1 ZINC000583346753 327312360 /nfs/dbraw/zinc/31/23/60/327312360.db2.gz HIRRZNQFJCGLOP-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO C=CCOc1ccc(CNc2cc[nH+]cc2F)cc1OC ZINC000186425652 329342204 /nfs/dbraw/zinc/34/22/04/329342204.db2.gz BPNTUAVBYLVSKF-UHFFFAOYSA-N 1 2 288.322 3.406 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000124111509 329567000 /nfs/dbraw/zinc/56/70/00/329567000.db2.gz GBFOLQUGSIUSAW-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO C=CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCC1 ZINC000421576501 329843229 /nfs/dbraw/zinc/84/32/29/329843229.db2.gz MXSXOBJQCAIRNR-UHFFFAOYSA-N 1 2 258.365 3.061 20 30 CGEDLO C=C1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000269089870 330067370 /nfs/dbraw/zinc/06/73/70/330067370.db2.gz JRMOSGXWUWOLLC-CYBMUJFWSA-N 1 2 299.374 3.458 20 30 CGEDLO CC[C@@](C)([NH2+]CC1(C#N)CCC1)c1nc(C)cs1 ZINC000450574895 330987491 /nfs/dbraw/zinc/98/74/91/330987491.db2.gz CPSIAVNBDDENFR-CYBMUJFWSA-N 1 2 263.410 3.360 20 30 CGEDLO CC(C)n1cc[nH+]c1CNc1cccc(CC#N)c1 ZINC000453137240 331093173 /nfs/dbraw/zinc/09/31/73/331093173.db2.gz COXLVHFJKLHMAO-UHFFFAOYSA-N 1 2 254.337 3.142 20 30 CGEDLO C=CCCCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455486514 331170774 /nfs/dbraw/zinc/17/07/74/331170774.db2.gz KVAAANCLLGUDKO-UHFFFAOYSA-N 1 2 261.369 3.485 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000488464245 332011545 /nfs/dbraw/zinc/01/15/45/332011545.db2.gz RIJROOAEZVMTQU-UHFFFAOYSA-N 1 2 292.342 3.112 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccsc1C(=O)OC ZINC000489400334 332050199 /nfs/dbraw/zinc/05/01/99/332050199.db2.gz HJSLCPYVQXGLKJ-GFCCVEGCSA-N 1 2 265.378 3.075 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccsc1C(=O)OC ZINC000489400334 332050200 /nfs/dbraw/zinc/05/02/00/332050200.db2.gz HJSLCPYVQXGLKJ-GFCCVEGCSA-N 1 2 265.378 3.075 20 30 CGEDLO C#CC[N@@H+](Cc1conc1CC)Cc1ccc(F)cc1 ZINC000491125866 332153651 /nfs/dbraw/zinc/15/36/51/332153651.db2.gz IATNSOHVGYGAIU-UHFFFAOYSA-N 1 2 272.323 3.012 20 30 CGEDLO C#CC[N@H+](Cc1conc1CC)Cc1ccc(F)cc1 ZINC000491125866 332153653 /nfs/dbraw/zinc/15/36/53/332153653.db2.gz IATNSOHVGYGAIU-UHFFFAOYSA-N 1 2 272.323 3.012 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000491642785 332261698 /nfs/dbraw/zinc/26/16/98/332261698.db2.gz BYORHVLNLATATD-LLVKDONJSA-N 1 2 289.404 3.122 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000491642785 332261699 /nfs/dbraw/zinc/26/16/99/332261699.db2.gz BYORHVLNLATATD-LLVKDONJSA-N 1 2 289.404 3.122 20 30 CGEDLO C=CC[C@@H]1N(C(=O)C=Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000493340509 332436161 /nfs/dbraw/zinc/43/61/61/332436161.db2.gz SRNLLOHKFRRJHL-DANTVBBOSA-N 1 2 273.380 3.016 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccco2)s1)C[C@H](C)C#N ZINC000194346019 333269621 /nfs/dbraw/zinc/26/96/21/333269621.db2.gz LSRHHGIAFYAXCF-LLVKDONJSA-N 1 2 275.377 3.385 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccco2)s1)C[C@H](C)C#N ZINC000194346019 333269622 /nfs/dbraw/zinc/26/96/22/333269622.db2.gz LSRHHGIAFYAXCF-LLVKDONJSA-N 1 2 275.377 3.385 20 30 CGEDLO C=C1CC[NH+](Cc2nc3ccccc3n2CC)CC1 ZINC000539816398 333692381 /nfs/dbraw/zinc/69/23/81/333692381.db2.gz FFZFTYZPMYBATJ-UHFFFAOYSA-N 1 2 255.365 3.208 20 30 CGEDLO Cc1cnc([C@@H]([NH2+]Cc2ccc(C#N)o2)C2CC2)s1 ZINC000174545531 335158628 /nfs/dbraw/zinc/15/86/28/335158628.db2.gz WREVUUOELFJWCN-ZDUSSCGKSA-N 1 2 273.361 3.157 20 30 CGEDLO CC1(C)Cc2cccc(CNc3cc(CC#N)cc[nH+]3)c2O1 ZINC000546633444 334042328 /nfs/dbraw/zinc/04/23/28/334042328.db2.gz JKQHSXMKELQLGW-UHFFFAOYSA-N 1 2 293.370 3.473 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000547648586 334105592 /nfs/dbraw/zinc/10/55/92/334105592.db2.gz OBRBDKJMASKZCJ-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000547648586 334105590 /nfs/dbraw/zinc/10/55/90/334105590.db2.gz OBRBDKJMASKZCJ-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO N#CCc1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000342479733 335181429 /nfs/dbraw/zinc/18/14/29/335181429.db2.gz LGAYLCBHHOAUAV-UHFFFAOYSA-N 1 2 283.281 3.429 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000565869908 334604514 /nfs/dbraw/zinc/60/45/14/334604514.db2.gz PKSJSALIJKOUSE-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000330067136 534218651 /nfs/dbraw/zinc/21/86/51/534218651.db2.gz UFKXEHZBZKSZAU-SUMWQHHRSA-N 1 2 297.358 3.400 20 30 CGEDLO Cc1ccn2cc(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)[nH+]c2c1 ZINC000329003834 534358938 /nfs/dbraw/zinc/35/89/38/534358938.db2.gz WSERUMGFRXUJFI-QWHCGFSZSA-N 1 2 299.374 3.105 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000330129342 534387070 /nfs/dbraw/zinc/38/70/70/534387070.db2.gz JWYHZNMHJLLXKZ-GXFFZTMASA-N 1 2 260.337 3.292 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(Cl)c1 ZINC000411857507 534780400 /nfs/dbraw/zinc/78/04/00/534780400.db2.gz WPUJHVXDXQKTBH-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(Cl)c1 ZINC000411857507 534780404 /nfs/dbraw/zinc/78/04/04/534780404.db2.gz WPUJHVXDXQKTBH-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C=CC[C@H](C)NC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000354432896 527126487 /nfs/dbraw/zinc/12/64/87/527126487.db2.gz PQRFGAWCBGQKPY-AWEZNQCLSA-N 1 2 299.418 3.460 20 30 CGEDLO C=CCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000355999984 527512319 /nfs/dbraw/zinc/51/23/19/527512319.db2.gz AVWMEEFVZNBZDZ-UHFFFAOYSA-N 1 2 280.331 3.100 20 30 CGEDLO CCOC(=O)[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000352251196 528038366 /nfs/dbraw/zinc/03/83/66/528038366.db2.gz PMSSWQUECJFWJO-OAHLLOKOSA-N 1 2 288.391 3.210 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnc(CC)o1 ZINC000411165336 528134461 /nfs/dbraw/zinc/13/44/61/528134461.db2.gz JQUSLJNRZCTMCX-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnc(CC)o1 ZINC000411165336 528134466 /nfs/dbraw/zinc/13/44/66/528134466.db2.gz JQUSLJNRZCTMCX-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCN(Cc1ccc(C#N)cc1)c1cc[nH+]c(C)n1 ZINC000154389874 528135381 /nfs/dbraw/zinc/13/53/81/528135381.db2.gz GKYJYICHOLMMTH-UHFFFAOYSA-N 1 2 266.348 3.073 20 30 CGEDLO CCOCCC1(CNc2cc(C)[nH+]cc2C#N)CCCC1 ZINC000425229521 528612743 /nfs/dbraw/zinc/61/27/43/528612743.db2.gz CBOCBEKDENSVCX-UHFFFAOYSA-N 1 2 287.407 3.083 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000335973876 528841809 /nfs/dbraw/zinc/84/18/09/528841809.db2.gz FLDPKWWEEMBWSQ-UHFFFAOYSA-N 1 2 273.311 3.093 20 30 CGEDLO C(=NNC1CCCC1)c1ccc(C=[NH+]NC2CCCC2)cc1 ZINC000727652500 571760076 /nfs/dbraw/zinc/76/00/76/571760076.db2.gz PXLGEUYGMNNUDG-UHFFFAOYSA-N 1 2 298.434 3.419 20 30 CGEDLO COc1ccc(C[C@@H](C)/[NH+]=C\c2ccccc2O)cc1OC ZINC000730147151 571950906 /nfs/dbraw/zinc/95/09/06/571950906.db2.gz LCFOLVSYRDLEMJ-CQLSMYGBSA-N 1 2 299.370 3.460 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccsc1 ZINC000730147615 571951354 /nfs/dbraw/zinc/95/13/54/571951354.db2.gz GPBRCODLZRDHFO-UHFFFAOYSA-N 1 2 253.330 3.164 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1sccc1Br ZINC000731156665 572398179 /nfs/dbraw/zinc/39/81/79/572398179.db2.gz JHNRJWXDOKAGLX-OWOJBTEDSA-N 1 2 283.150 3.130 20 30 CGEDLO O=C1c2c([nH]c3ccc(F)cc32)CC/C1=C\c1[nH]cc[nH+]1 ZINC000731156450 572398342 /nfs/dbraw/zinc/39/83/42/572398342.db2.gz FOPIKFCPBCEUSN-VQHVLOKHSA-N 1 2 281.290 3.243 20 30 CGEDLO Oc1cccc(/C=[NH+]\C[C@H]2CCc3ccccc32)c1O ZINC000731938015 572439064 /nfs/dbraw/zinc/43/90/64/572439064.db2.gz QPNVVRKFJSTHGJ-NCUBORBFSA-N 1 2 267.328 3.247 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]\CC[C@@H]2CCC[C@H](C)C2)c1O ZINC000734366569 572649735 /nfs/dbraw/zinc/64/97/35/572649735.db2.gz XNXQCYMTKIEHSC-XDNFDDDSSA-N 1 2 290.407 3.223 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2ccc3ccccc3n2)c1O ZINC000743538174 572670076 /nfs/dbraw/zinc/67/00/76/572670076.db2.gz HTCQYKBFNYEORT-UNOMPAQXSA-N 1 2 292.338 3.308 20 30 CGEDLO CCO[C@@H](CC/[NH+]=C/c1c(O)cccc1OC)C(C)C ZINC000746391840 572868855 /nfs/dbraw/zinc/86/88/55/572868855.db2.gz BWCOYUGKVPCHJJ-VUVCFOEZSA-N 1 2 279.380 3.271 20 30 CGEDLO C=C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746666237 572889209 /nfs/dbraw/zinc/88/92/09/572889209.db2.gz OPFPCDMPGRDIEM-UHFFFAOYSA-N 1 2 266.728 3.400 20 30 CGEDLO C[C@H](/[NH+]=C\c1ccc(O)c(O)c1O)[C@@H](C)c1ccccc1 ZINC000746815768 572896956 /nfs/dbraw/zinc/89/69/56/572896956.db2.gz NDSCVNDUKPJUGV-OQUOYJOKSA-N 1 2 285.343 3.415 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cnn(CC2CCC2)c1 ZINC000899421234 620697239 /nfs/dbraw/zinc/69/72/39/620697239.db2.gz CLLCRGJXJCGTCE-VOTSOKGWSA-N 1 2 298.390 3.357 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC000957413231 613296451 /nfs/dbraw/zinc/29/64/51/613296451.db2.gz HBMYPEUOIPBUEI-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946246 613380010 /nfs/dbraw/zinc/38/00/10/613380010.db2.gz MPTYXUJRGTXBFB-CHWSQXEVSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946246 613380011 /nfs/dbraw/zinc/38/00/11/613380011.db2.gz MPTYXUJRGTXBFB-CHWSQXEVSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H](CC)CC2CCCCC2)CC1 ZINC000951165247 613712396 /nfs/dbraw/zinc/71/23/96/613712396.db2.gz AUYLZJMXTCANDI-QGZVFWFLSA-N 1 2 292.467 3.313 20 30 CGEDLO C#CCC[C@@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000804685697 617798849 /nfs/dbraw/zinc/79/88/49/617798849.db2.gz FTXUCJDJNVIDFV-LLVKDONJSA-N 1 2 274.751 3.074 20 30 CGEDLO C#CCC[C@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000804685705 617799160 /nfs/dbraw/zinc/79/91/60/617799160.db2.gz FTXUCJDJNVIDFV-NSHDSACASA-N 1 2 274.751 3.074 20 30 CGEDLO Oc1ccccc1/C=N\Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000255169550 618031570 /nfs/dbraw/zinc/03/15/70/618031570.db2.gz JMDXYGQHLLAFAL-JAIQZWGSSA-N 1 2 295.317 3.336 20 30 CGEDLO C=C1CCC(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000891370325 618162246 /nfs/dbraw/zinc/16/22/46/618162246.db2.gz LDRZMDGOPLRBHP-UHFFFAOYSA-N 1 2 258.365 3.061 20 30 CGEDLO NC(=[NH+]OCc1cccc2cccnc21)c1ccccc1 ZINC000073513452 618196026 /nfs/dbraw/zinc/19/60/26/618196026.db2.gz ALPDKBNMAIHTHZ-UHFFFAOYSA-N 1 2 277.327 3.072 20 30 CGEDLO CC(C)C(=O)NCCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255443487 618500347 /nfs/dbraw/zinc/50/03/47/618500347.db2.gz QUFUOKOHZPZBGV-UNOMPAQXSA-N 1 2 298.386 3.127 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1csc([C@H](C)OC)n1 ZINC000934466650 618626245 /nfs/dbraw/zinc/62/62/45/618626245.db2.gz UWGMSSBVRVHRHX-CMPLNLGQSA-N 1 2 252.383 3.001 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1csc([C@H](C)OC)n1 ZINC000934466650 618626246 /nfs/dbraw/zinc/62/62/46/618626246.db2.gz UWGMSSBVRVHRHX-CMPLNLGQSA-N 1 2 252.383 3.001 20 30 CGEDLO CC(=[NH+]OC/C=C/Cl)c1ccc(N)cc1Cl ZINC000309281718 618661777 /nfs/dbraw/zinc/66/17/77/618661777.db2.gz NJXYEEDLWVOUSM-MDIBBOIVSA-N 1 2 259.136 3.415 20 30 CGEDLO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1cccc(C#N)c1O ZINC000926519474 618721347 /nfs/dbraw/zinc/72/13/47/618721347.db2.gz MLOXIAHHFRJZNT-GOEBONIOSA-N 1 2 276.380 3.120 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3cccc(O)c3)c[nH+]c12 ZINC000255588789 618743700 /nfs/dbraw/zinc/74/37/00/618743700.db2.gz DLIXZEKOKKZJAG-FPLPWBNLSA-N 1 2 278.311 3.244 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1cccc(C#N)c1O ZINC000926586455 618753963 /nfs/dbraw/zinc/75/39/63/618753963.db2.gz XSOLNJLMDVJVSM-DUPGQFARSA-N 1 2 288.391 3.118 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(C#N)c1O ZINC000926747850 618859627 /nfs/dbraw/zinc/85/96/27/618859627.db2.gz PYILAJWDHHTQQW-CZUORRHYSA-N 1 2 288.391 3.121 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008221766 619067025 /nfs/dbraw/zinc/06/70/25/619067025.db2.gz ADOSCNXWFDSEHU-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008221766 619067028 /nfs/dbraw/zinc/06/70/28/619067028.db2.gz ADOSCNXWFDSEHU-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C[C@H]1Cc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000893528669 619205461 /nfs/dbraw/zinc/20/54/61/619205461.db2.gz ZIWNSLUZYJMVRR-SUMWQHHRSA-N 1 2 270.376 3.136 20 30 CGEDLO C[C@H]1Cc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000893528669 619205462 /nfs/dbraw/zinc/20/54/62/619205462.db2.gz ZIWNSLUZYJMVRR-SUMWQHHRSA-N 1 2 270.376 3.136 20 30 CGEDLO COc1ccc([NH2+]C2CCC(C#N)CC2)c(OC)c1 ZINC000258619100 619226672 /nfs/dbraw/zinc/22/66/72/619226672.db2.gz CBDXYNSQTNUUIB-UHFFFAOYSA-N 1 2 260.337 3.198 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000932152940 619304913 /nfs/dbraw/zinc/30/49/13/619304913.db2.gz VXUWICPAUOJDMQ-GFCCVEGCSA-N 1 2 284.281 3.321 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000932152940 619304916 /nfs/dbraw/zinc/30/49/16/619304916.db2.gz VXUWICPAUOJDMQ-GFCCVEGCSA-N 1 2 284.281 3.321 20 30 CGEDLO Cc1cc(C#N)nc(NCCCc2cccc(C)[nH+]2)c1 ZINC000893811120 619318775 /nfs/dbraw/zinc/31/87/75/619318775.db2.gz RKRVEWNRVQOWND-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1[nH]nc(C)c1C ZINC000894004162 619350430 /nfs/dbraw/zinc/35/04/30/619350430.db2.gz ZMNCQOBYCVOVEN-UHFFFAOYSA-N 1 2 262.401 3.178 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1[nH]nc(C)c1C ZINC000894004162 619350432 /nfs/dbraw/zinc/35/04/32/619350432.db2.gz ZMNCQOBYCVOVEN-UHFFFAOYSA-N 1 2 262.401 3.178 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C/c1cccc(F)c1)C1CC1 ZINC000894085148 619366283 /nfs/dbraw/zinc/36/62/83/619366283.db2.gz PGIOFFSTZCFCMD-MASHWEEQSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1cccc(F)c1)C1CC1 ZINC000894085148 619366285 /nfs/dbraw/zinc/36/62/85/619366285.db2.gz PGIOFFSTZCFCMD-MASHWEEQSA-N 1 2 258.340 3.463 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1cccc(C#N)c1O ZINC000924955600 619460130 /nfs/dbraw/zinc/46/01/30/619460130.db2.gz SVPCYBHDHYJDIG-CJNGLKHVSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894446144 619540515 /nfs/dbraw/zinc/54/05/15/619540515.db2.gz SGJOTUZDRLKRDO-UYZDIKGJSA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C\c2cccc(F)c2)C1 ZINC000894446144 619540526 /nfs/dbraw/zinc/54/05/26/619540526.db2.gz SGJOTUZDRLKRDO-UYZDIKGJSA-N 1 2 258.340 3.465 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(F)cc1 ZINC000894574571 619579644 /nfs/dbraw/zinc/57/96/44/619579644.db2.gz IDEASZRLXBGICF-QGZVFWFLSA-N 1 2 283.350 3.211 20 30 CGEDLO C=CCOc1ccccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894898299 619674800 /nfs/dbraw/zinc/67/48/00/619674800.db2.gz VWOHLLNRYOXLAW-UHFFFAOYSA-N 1 2 271.282 3.246 20 30 CGEDLO CC#CCCCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183929459 619728385 /nfs/dbraw/zinc/72/83/85/619728385.db2.gz BJWBDJHYQURKSP-UHFFFAOYSA-N 1 2 282.343 3.223 20 30 CGEDLO CNc1cc(CNc2nc(C(C)(C)C)ccc2C#N)cc[nH+]1 ZINC000895255925 619791807 /nfs/dbraw/zinc/79/18/07/619791807.db2.gz UBXBQPLZPZKZQK-UHFFFAOYSA-N 1 2 295.390 3.300 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1ccsc1)C(=O)OCC ZINC000895597274 619858206 /nfs/dbraw/zinc/85/82/06/619858206.db2.gz HLRJWPJXKGIELL-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO C#CC1([NH2+]Cc2csc(C(F)(F)F)n2)CCCC1 ZINC000896025770 619930420 /nfs/dbraw/zinc/93/04/20/619930420.db2.gz CHLBEQZYGTYGST-UHFFFAOYSA-N 1 2 274.311 3.198 20 30 CGEDLO C=CCCCCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896515476 620020283 /nfs/dbraw/zinc/02/02/83/620020283.db2.gz QYBBCYZYSVVGIW-UHFFFAOYSA-N 1 2 277.412 3.131 20 30 CGEDLO C=CCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CCCCC1 ZINC000896909250 620095781 /nfs/dbraw/zinc/09/57/81/620095781.db2.gz FHQREUQYFHJIMA-UHFFFAOYSA-N 1 2 275.396 3.169 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCC[C@@H]2CCOC2)c1O ZINC000840708858 620097621 /nfs/dbraw/zinc/09/76/21/620097621.db2.gz FJHFXBUCSMCSKJ-GPLLRDDGSA-N 1 2 277.364 3.027 20 30 CGEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(C(C)C)no1 ZINC000114509949 620206847 /nfs/dbraw/zinc/20/68/47/620206847.db2.gz QTICCRFIDPYVTF-UHFFFAOYSA-N 1 2 284.359 3.100 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(F)cc1 ZINC000263635708 620359475 /nfs/dbraw/zinc/35/94/75/620359475.db2.gz BPMAFFUATIEGHL-HJWRWDBZSA-N 1 2 266.275 3.370 20 30 CGEDLO Cc1cc(CNC(=O)c2c(C)cc(C#N)cc2C)cc(C)[nH+]1 ZINC000899166945 620623679 /nfs/dbraw/zinc/62/36/79/620623679.db2.gz GZKZOXWAPYQQNU-UHFFFAOYSA-N 1 2 293.370 3.117 20 30 CGEDLO CC(=[NH+]Nc1c(C)cccc1C(C)C)c1c[nH]c(N)n1 ZINC000901244573 620845705 /nfs/dbraw/zinc/84/57/05/620845705.db2.gz VPYALCZZRPOHSE-UHFFFAOYSA-N 1 2 271.368 3.260 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2cc(O)ccc2C1=O ZINC000901469520 620896705 /nfs/dbraw/zinc/89/67/05/620896705.db2.gz BOYHTGPQPBVGIH-QPEQYQDCSA-N 1 2 282.343 3.382 20 30 CGEDLO COc1ccc2c(c1)C/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901543742 620932044 /nfs/dbraw/zinc/93/20/44/620932044.db2.gz KUELLOQHRRKHGC-QPEQYQDCSA-N 1 2 282.343 3.295 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1nc2c(s1)CCCC2 ZINC000903100659 621572605 /nfs/dbraw/zinc/57/26/05/621572605.db2.gz VFFATXPOUFPESV-SNVBAGLBSA-N 1 2 263.410 3.222 20 30 CGEDLO C#CC[N@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C(C)C ZINC000905748167 622098986 /nfs/dbraw/zinc/09/89/86/622098986.db2.gz GFYLLQQHWHHLRF-QGZVFWFLSA-N 1 2 296.414 3.041 20 30 CGEDLO C#CC[N@@H+](CN1C(=O)C2(CCC2)[C@H]1c1ccccc1)C(C)C ZINC000905748167 622098990 /nfs/dbraw/zinc/09/89/90/622098990.db2.gz GFYLLQQHWHHLRF-QGZVFWFLSA-N 1 2 296.414 3.041 20 30 CGEDLO C[C@H](C#N)OCCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000802752015 622375677 /nfs/dbraw/zinc/37/56/77/622375677.db2.gz NMYWXLOFQDYFRE-CYBMUJFWSA-N 1 2 287.388 3.034 20 30 CGEDLO NC(=[NH+]OCc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000029465438 622736276 /nfs/dbraw/zinc/73/62/76/622736276.db2.gz WRBNBOQHNGOAKF-UHFFFAOYSA-N 1 2 278.714 3.316 20 30 CGEDLO Cc1[nH+]c(C=NNc2ccccc2F)c2ccccn12 ZINC000914599925 623835457 /nfs/dbraw/zinc/83/54/57/623835457.db2.gz ODLAKJQAGIFRHR-UHFFFAOYSA-N 1 2 268.295 3.228 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCc2cccc(OC)c2)c(O)c1 ZINC000915979151 624087901 /nfs/dbraw/zinc/08/79/01/624087901.db2.gz MEOSJKHYPOZOIM-UYRXBGFRSA-N 1 2 299.370 3.461 20 30 CGEDLO C#CCCCCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835276742 634426459 /nfs/dbraw/zinc/42/64/59/634426459.db2.gz FNPAKIOUQMNOGN-UHFFFAOYSA-N 1 2 296.370 3.282 20 30 CGEDLO C=CCC(F)(F)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839235284 626334942 /nfs/dbraw/zinc/33/49/42/626334942.db2.gz HNIOZMQLPGWBID-UHFFFAOYSA-N 1 2 254.280 3.157 20 30 CGEDLO COc1cccc(/C=[NH+]/CCC2CCC(OC)CC2)c1O ZINC000753995145 626471144 /nfs/dbraw/zinc/47/11/44/626471144.db2.gz MOGZJIYRIHXRQB-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO CCc1ccc(C=NNc2cc[nH+]c3ccccc23)o1 ZINC000760254097 626948313 /nfs/dbraw/zinc/94/83/13/626948313.db2.gz ZQLXXHUJRWVASE-UHFFFAOYSA-N 1 2 265.316 3.258 20 30 CGEDLO C#CCC[N@@H+](CCOC)Cc1c(Cl)cccc1Cl ZINC000760819341 626994303 /nfs/dbraw/zinc/99/43/03/626994303.db2.gz JQIPUEWXRJYVEA-UHFFFAOYSA-N 1 2 286.202 3.465 20 30 CGEDLO C#CCC[N@H+](CCOC)Cc1c(Cl)cccc1Cl ZINC000760819341 626994306 /nfs/dbraw/zinc/99/43/06/626994306.db2.gz JQIPUEWXRJYVEA-UHFFFAOYSA-N 1 2 286.202 3.465 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc2c(s1)CCCC2 ZINC000764432172 627207624 /nfs/dbraw/zinc/20/76/24/627207624.db2.gz KGBSVKZFPCGMPD-AATRIKPKSA-N 1 2 258.346 3.246 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](CCC#N)CC(C)C)n2c1 ZINC000768154103 627464078 /nfs/dbraw/zinc/46/40/78/627464078.db2.gz RXQFVNFIFNGVIN-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](CCC#N)CC(C)C)n2c1 ZINC000768154103 627464081 /nfs/dbraw/zinc/46/40/81/627464081.db2.gz RXQFVNFIFNGVIN-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO Cc1ccc2[nH+]cc(CN(CCC#N)CC(C)C)n2c1 ZINC000768154103 627464083 /nfs/dbraw/zinc/46/40/83/627464083.db2.gz RXQFVNFIFNGVIN-UHFFFAOYSA-N 1 2 270.380 3.014 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000769146455 627526215 /nfs/dbraw/zinc/52/62/15/627526215.db2.gz ZWUCCTCQIKJVAS-UHFFFAOYSA-N 1 2 257.308 3.363 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000769146455 627526217 /nfs/dbraw/zinc/52/62/17/627526217.db2.gz ZWUCCTCQIKJVAS-UHFFFAOYSA-N 1 2 257.308 3.363 20 30 CGEDLO C=C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000769337632 627543466 /nfs/dbraw/zinc/54/34/66/627543466.db2.gz GPPNEISFQLZTAW-UHFFFAOYSA-N 1 2 282.181 3.307 20 30 CGEDLO Cc1ccoc1C(=O)/C=C\c1c[nH+]c2cccc(C)n12 ZINC000769784457 627577786 /nfs/dbraw/zinc/57/77/86/627577786.db2.gz VVHSGMOTTKCMOE-SREVYHEPSA-N 1 2 266.300 3.440 20 30 CGEDLO Fc1cccc(F)c1N=NCc1cccc2[nH+]ccn21 ZINC000771101537 627683283 /nfs/dbraw/zinc/68/32/83/627683283.db2.gz UNLLOKLNYKKHHQ-UHFFFAOYSA-N 1 2 272.258 3.059 20 30 CGEDLO CC(C)(C#N)CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000771181639 627688697 /nfs/dbraw/zinc/68/86/97/627688697.db2.gz RGBKRQYYNATIMA-UHFFFAOYSA-N 1 2 279.771 3.307 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCC[C@H]2OC)c(O)c1 ZINC000774542566 628003872 /nfs/dbraw/zinc/00/38/72/628003872.db2.gz PEZQYRBGYWPKGV-OYHPWPLQSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1ccc(Cn2ccc(-c3ccc(C#N)cc3)n2)c(C)[nH+]1 ZINC000774757500 628024674 /nfs/dbraw/zinc/02/46/74/628024674.db2.gz GQOGRJYFQOAFMG-UHFFFAOYSA-N 1 2 288.354 3.482 20 30 CGEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000778596120 628359957 /nfs/dbraw/zinc/35/99/57/628359957.db2.gz RUORPKAGEKTXKK-ZDUSSCGKSA-N 1 2 293.436 3.140 20 30 CGEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000778596120 628359962 /nfs/dbraw/zinc/35/99/62/628359962.db2.gz RUORPKAGEKTXKK-ZDUSSCGKSA-N 1 2 293.436 3.140 20 30 CGEDLO C#CCCCCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000779903551 628440824 /nfs/dbraw/zinc/44/08/24/628440824.db2.gz OCJRSYBUSPFXQM-UHFFFAOYSA-N 1 2 269.348 3.394 20 30 CGEDLO C#CCCCCCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000780403000 628487123 /nfs/dbraw/zinc/48/71/23/628487123.db2.gz HGEBHUAGOOTLPP-UHFFFAOYSA-N 1 2 295.386 3.072 20 30 CGEDLO CC(C)(C)C1CCN(N=Cc2cccc3[nH+]ccn32)CC1 ZINC000790178629 629189291 /nfs/dbraw/zinc/18/92/91/629189291.db2.gz FYFQLZFLHLCWBP-UHFFFAOYSA-N 1 2 284.407 3.426 20 30 CGEDLO C=C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862241477 629328305 /nfs/dbraw/zinc/32/83/05/629328305.db2.gz VRHVCAVBBVXKDJ-UHFFFAOYSA-N 1 2 266.335 3.183 20 30 CGEDLO C=C[C@@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccccc1 ZINC000792066957 629335163 /nfs/dbraw/zinc/33/51/63/629335163.db2.gz CZMDNLNSNDYVND-AWEZNQCLSA-N 1 2 282.343 3.067 20 30 CGEDLO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3ccccn13)C2 ZINC000119140278 629445696 /nfs/dbraw/zinc/44/56/96/629445696.db2.gz GAICJBUTNUFUDU-UVTDQMKNSA-N 1 2 274.323 3.465 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708323 629569927 /nfs/dbraw/zinc/56/99/27/629569927.db2.gz RRMWBIWZOQJYDB-JYRVWZFOSA-N 1 2 298.411 3.336 20 30 CGEDLO C=CCCCOC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796002780 629734351 /nfs/dbraw/zinc/73/43/51/629734351.db2.gz LZEUJXVTSTVYQV-UHFFFAOYSA-N 1 2 294.301 3.132 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@H]2CCCOC2)c1 ZINC000864344814 629814260 /nfs/dbraw/zinc/81/42/60/629814260.db2.gz HOISXPJSLSTLPK-GPLLRDDGSA-N 1 2 277.364 3.027 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)nc1C(F)(F)F ZINC000797601674 629968196 /nfs/dbraw/zinc/96/81/96/629968196.db2.gz LOABKLLBMCKADN-ZETCQYMHSA-N 1 2 277.677 3.146 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(Cl)c(F)c2)[C@H]2CCCCN12 ZINC000799481615 630187963 /nfs/dbraw/zinc/18/79/63/630187963.db2.gz FKCAWHKTKZWFOD-CYBMUJFWSA-N 1 2 295.745 3.032 20 30 CGEDLO CC(C)=CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000808263587 630633817 /nfs/dbraw/zinc/63/38/17/630633817.db2.gz CADSRLCBCNWZTD-UHFFFAOYSA-N 1 2 283.169 3.052 20 30 CGEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000809792046 630812067 /nfs/dbraw/zinc/81/20/67/630812067.db2.gz FZQQVWKJRKVHJH-UHFFFAOYSA-N 1 2 283.306 3.053 20 30 CGEDLO C[C@@H](CC#N)N[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811645237 631095707 /nfs/dbraw/zinc/09/57/07/631095707.db2.gz FCRLWPRAOLGJNW-VIFPVBQESA-N 1 2 299.205 3.285 20 30 CGEDLO Cc1cccn2c(/C=C3/Cc4ccc(C#N)cc4C3=O)c[nH+]c12 ZINC000811697301 631111556 /nfs/dbraw/zinc/11/15/56/631111556.db2.gz ZEQKCOVXNMOTHS-DHDCSXOGSA-N 1 2 299.333 3.337 20 30 CGEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccc(Cl)c(N)c1 ZINC000814868826 631659420 /nfs/dbraw/zinc/65/94/20/631659420.db2.gz KIVXCOFOZYTIRW-UHFFFAOYSA-N 1 2 295.173 3.229 20 30 CGEDLO FC(F)(F)C=C[NH2+]Nc1ccnc(Br)c1 ZINC000817325995 632121283 /nfs/dbraw/zinc/12/12/83/632121283.db2.gz JDTCEBZEEVCVAA-UHFFFAOYSA-N 1 2 282.063 3.194 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@H]2CC23CCSCC3)c1O ZINC000817707385 632202250 /nfs/dbraw/zinc/20/22/50/632202250.db2.gz JJHAJOQTEPOJLQ-OMJMQIJPSA-N 1 2 291.416 3.353 20 30 CGEDLO C[N@H+](CCc1cccc(C#N)c1)C/C(Cl)=C/Cl ZINC000879432876 635787492 /nfs/dbraw/zinc/78/74/92/635787492.db2.gz KGDIZFOOMMMEEP-JYRVWZFOSA-N 1 2 269.175 3.352 20 30 CGEDLO C[N@@H+](CCc1cccc(C#N)c1)C/C(Cl)=C/Cl ZINC000879432876 635787493 /nfs/dbraw/zinc/78/74/93/635787493.db2.gz KGDIZFOOMMMEEP-JYRVWZFOSA-N 1 2 269.175 3.352 20 30 CGEDLO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866222851 633034345 /nfs/dbraw/zinc/03/43/45/633034345.db2.gz ZKZXTBVWGPCCDA-NEPJUHHUSA-N 1 2 270.332 3.139 20 30 CGEDLO CCCC(O)(CCC)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866268707 633054790 /nfs/dbraw/zinc/05/47/90/633054790.db2.gz CTQDZEQENFYTCV-ZDUSSCGKSA-N 1 2 290.407 3.246 20 30 CGEDLO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc(C#N)c1O ZINC000866311246 633077087 /nfs/dbraw/zinc/07/70/87/633077087.db2.gz YOSUTQKNZJRWMV-LLVKDONJSA-N 1 2 256.349 3.105 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(C#N)c1O ZINC000866359368 633099413 /nfs/dbraw/zinc/09/94/13/633099413.db2.gz PPRQPCKUCXNSIX-GXTWGEPZSA-N 1 2 294.354 3.091 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc(C#N)c1O ZINC000866388528 633116585 /nfs/dbraw/zinc/11/65/85/633116585.db2.gz CIALENUJBKBNGC-MZPVMMEZSA-N 1 2 294.354 3.093 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1O ZINC000827649822 633507335 /nfs/dbraw/zinc/50/73/35/633507335.db2.gz LRUHRCUPDBZGJX-AWEZNQCLSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(C#N)C2)c1O ZINC000827649822 633507337 /nfs/dbraw/zinc/50/73/37/633507337.db2.gz LRUHRCUPDBZGJX-AWEZNQCLSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1ccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)c(C)c1 ZINC000827792520 633518297 /nfs/dbraw/zinc/51/82/97/633518297.db2.gz AJGJXWMRXGQZJS-UHFFFAOYSA-N 1 2 295.386 3.090 20 30 CGEDLO C#Cc1cccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000834902287 634278571 /nfs/dbraw/zinc/27/85/71/634278571.db2.gz GSJCSBMTECUANZ-QGZVFWFLSA-N 1 2 294.402 3.197 20 30 CGEDLO C#C[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(F)cc1 ZINC000877544698 635081636 /nfs/dbraw/zinc/08/16/36/635081636.db2.gz UTMDSZIUKLONSM-PXAZEXFGSA-N 1 2 283.350 3.258 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877636562 635125191 /nfs/dbraw/zinc/12/51/91/635125191.db2.gz BDLUDXWGDHOIDR-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877636562 635125195 /nfs/dbraw/zinc/12/51/95/635125195.db2.gz BDLUDXWGDHOIDR-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C(=O)OC ZINC000877689711 635137328 /nfs/dbraw/zinc/13/73/28/635137328.db2.gz JGEBRTYZOWNBCR-RYUDHWBXSA-N 1 2 273.442 3.004 20 30 CGEDLO CC(C)(C)c1ccc(C[NH2+]Cc2cccc(C#N)n2)o1 ZINC000877734733 635168133 /nfs/dbraw/zinc/16/81/33/635168133.db2.gz DXIDXYJOUQRFHP-UHFFFAOYSA-N 1 2 269.348 3.134 20 30 CGEDLO CCCCn1nc(C)c(C[NH2+]CC2(C#N)CCC2)c1Cl ZINC000841897614 635250239 /nfs/dbraw/zinc/25/02/39/635250239.db2.gz GCTUBKPJHLODNR-UHFFFAOYSA-N 1 2 294.830 3.429 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034173 635332314 /nfs/dbraw/zinc/33/23/14/635332314.db2.gz ANMMYBXVGMCWKB-NOZJJQNGSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034173 635332320 /nfs/dbraw/zinc/33/23/20/635332320.db2.gz ANMMYBXVGMCWKB-NOZJJQNGSA-N 1 2 287.190 3.118 20 30 CGEDLO C=CCOc1ccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000844412496 635893586 /nfs/dbraw/zinc/89/35/86/635893586.db2.gz XTLUWQNYHXJCIL-CYBMUJFWSA-N 1 2 286.331 3.005 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1O ZINC000128460228 636009493 /nfs/dbraw/zinc/00/94/93/636009493.db2.gz XDEUTYZCOJFIFF-IQBBIQJKSA-N 1 2 293.366 3.406 20 30 CGEDLO C[C@H](CC(=O)OCCC1(C#N)CCCCC1)n1cc[nH+]c1 ZINC000845286558 636020655 /nfs/dbraw/zinc/02/06/55/636020655.db2.gz POYSTBUBJBVSLA-CQSZACIVSA-N 1 2 289.379 3.242 20 30 CGEDLO C=CCCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846146525 636149887 /nfs/dbraw/zinc/14/98/87/636149887.db2.gz JIHFMTYDOHFGON-UHFFFAOYSA-N 1 2 289.423 3.015 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022944 636314155 /nfs/dbraw/zinc/31/41/55/636314155.db2.gz KDQFHPSWVQVHMZ-QWHCGFSZSA-N 1 2 290.794 3.012 20 30 CGEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000847022944 636314156 /nfs/dbraw/zinc/31/41/56/636314156.db2.gz KDQFHPSWVQVHMZ-QWHCGFSZSA-N 1 2 290.794 3.012 20 30 CGEDLO CC1(C)CCC[C@H](C=NNCCCn2cc[nH+]c2)C1 ZINC000848418340 636572913 /nfs/dbraw/zinc/57/29/13/636572913.db2.gz MGXJLAOEPNIPQI-AWEZNQCLSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1coc2ccccc12 ZINC000848418494 636573273 /nfs/dbraw/zinc/57/32/73/636573273.db2.gz MQVBSZRPVQBPDQ-UHFFFAOYSA-N 1 2 282.347 3.033 20 30 CGEDLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C#N)c1 ZINC000883312437 636662087 /nfs/dbraw/zinc/66/20/87/636662087.db2.gz CQKZBEJWYFMBOI-CYBMUJFWSA-N 1 2 278.359 3.078 20 30 CGEDLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(C#N)cc1 ZINC000883313261 636663153 /nfs/dbraw/zinc/66/31/53/636663153.db2.gz ZLMNWRPZXUNZKR-ZDUSSCGKSA-N 1 2 278.359 3.078 20 30 CGEDLO CCc1cccc(C[N@@H+]2Cc3cccc(C#N)c3C2)c1O ZINC000848918606 636691125 /nfs/dbraw/zinc/69/11/25/636691125.db2.gz FMPOBGFCYWAACR-UHFFFAOYSA-N 1 2 278.355 3.342 20 30 CGEDLO CCc1cccc(C[N@H+]2Cc3cccc(C#N)c3C2)c1O ZINC000848918606 636691128 /nfs/dbraw/zinc/69/11/28/636691128.db2.gz FMPOBGFCYWAACR-UHFFFAOYSA-N 1 2 278.355 3.342 20 30 CGEDLO C#CC[NH2+][C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000085280583 636771997 /nfs/dbraw/zinc/77/19/97/636771997.db2.gz MPNJNBFNAZKMPA-GOSISDBHSA-N 1 2 299.345 3.155 20 30 CGEDLO C=C[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000851451648 637398208 /nfs/dbraw/zinc/39/82/08/637398208.db2.gz KJUXFQRRURFDMK-HIFRSBDPSA-N 1 2 270.332 3.305 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886251652 637469882 /nfs/dbraw/zinc/46/98/82/637469882.db2.gz ICQRGKRAWBPLCE-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886251652 637469888 /nfs/dbraw/zinc/46/98/88/637469888.db2.gz ICQRGKRAWBPLCE-LBPRGKRZSA-N 1 2 296.330 3.054 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Br)cn1 ZINC000219295449 637519838 /nfs/dbraw/zinc/51/98/38/637519838.db2.gz OSXAADGOPUDKTQ-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)cn1 ZINC000219295449 637519843 /nfs/dbraw/zinc/51/98/43/637519843.db2.gz OSXAADGOPUDKTQ-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000852097392 637590206 /nfs/dbraw/zinc/59/02/06/637590206.db2.gz PWTORDXJZOMSCG-HNNXBMFYSA-N 1 2 289.766 3.282 20 30 CGEDLO Cc1ccc2c(C[N@@H+]3CC[C@](C)(C#N)C3)cc(=O)oc2c1C ZINC000852684848 637695356 /nfs/dbraw/zinc/69/53/56/637695356.db2.gz OXADXZYKXSBRCK-GOSISDBHSA-N 1 2 296.370 3.145 20 30 CGEDLO Cc1ccc2c(C[N@H+]3CC[C@](C)(C#N)C3)cc(=O)oc2c1C ZINC000852684848 637695364 /nfs/dbraw/zinc/69/53/64/637695364.db2.gz OXADXZYKXSBRCK-GOSISDBHSA-N 1 2 296.370 3.145 20 30 CGEDLO Cc1[nH+]cc(C=NNc2ccc(C(C)(C)C)cc2)n1C ZINC000853331682 637813143 /nfs/dbraw/zinc/81/31/43/637813143.db2.gz BKCCUECFYCHQKO-UHFFFAOYSA-N 1 2 270.380 3.472 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)n(C)c2=S)C1 ZINC000853536723 637864035 /nfs/dbraw/zinc/86/40/35/637864035.db2.gz WCVVTCUJWLMJLN-GFCCVEGCSA-N 1 2 292.452 3.074 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(C3CC3)n(C)c2=S)C1 ZINC000853536723 637864036 /nfs/dbraw/zinc/86/40/36/637864036.db2.gz WCVVTCUJWLMJLN-GFCCVEGCSA-N 1 2 292.452 3.074 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000853536817 637864390 /nfs/dbraw/zinc/86/43/90/637864390.db2.gz IRHQAPPFXFCREF-ZDUSSCGKSA-N 1 2 292.452 3.303 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C)n(C3CC3)c2=S)C1 ZINC000853536817 637864395 /nfs/dbraw/zinc/86/43/95/637864395.db2.gz IRHQAPPFXFCREF-ZDUSSCGKSA-N 1 2 292.452 3.303 20 30 CGEDLO C=C(C)CCc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924066987 638293673 /nfs/dbraw/zinc/29/36/73/638293673.db2.gz IWMQYUYKXFQLAQ-ZDUSSCGKSA-N 1 2 274.368 3.410 20 30 CGEDLO CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925033156 638439795 /nfs/dbraw/zinc/43/97/95/638439795.db2.gz KIFWZLSVHTXEAL-HZPDHXFCSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@@H]([NH2+]CCCSC)c1cccc(C#N)c1O ZINC000925095580 638451319 /nfs/dbraw/zinc/45/13/19/638451319.db2.gz VFLSYEHMLJFNQA-CYBMUJFWSA-N 1 2 264.394 3.058 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000925437084 638502815 /nfs/dbraw/zinc/50/28/15/638502815.db2.gz JLVLVWOATNXFIO-UKRRQHHQSA-N 1 2 256.349 3.413 20 30 CGEDLO CCC[C@@H](C[NH2+][C@H](CC)c1cccc(C#N)c1O)OC ZINC000926503827 638778777 /nfs/dbraw/zinc/77/87/77/638778777.db2.gz YRIYKTDDENNVIW-DZGCQCFKSA-N 1 2 276.380 3.120 20 30 CGEDLO Cc1[nH]c(CN(C)[C@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000930764363 639065526 /nfs/dbraw/zinc/06/55/26/639065526.db2.gz LODAZACZJANFDB-GFCCVEGCSA-N 1 2 268.364 3.091 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000930906525 639085376 /nfs/dbraw/zinc/08/53/76/639085376.db2.gz ZKWDMLMUGQWFBB-AWEZNQCLSA-N 1 2 283.375 3.091 20 30 CGEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCC[C@@H]1C#N ZINC000931477568 639157875 /nfs/dbraw/zinc/15/78/75/639157875.db2.gz YQQIBVWHKJOBHR-HIFRSBDPSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCC[C@@H]1C#N ZINC000931477568 639157878 /nfs/dbraw/zinc/15/78/78/639157878.db2.gz YQQIBVWHKJOBHR-HIFRSBDPSA-N 1 2 273.767 3.336 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000932158334 639279228 /nfs/dbraw/zinc/27/92/28/639279228.db2.gz DFUDJZMHBQKMKM-ZDUSSCGKSA-N 1 2 298.308 3.363 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000932158334 639279234 /nfs/dbraw/zinc/27/92/34/639279234.db2.gz DFUDJZMHBQKMKM-ZDUSSCGKSA-N 1 2 298.308 3.363 20 30 CGEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2)s1)C(C)(C)C ZINC000932463243 639337538 /nfs/dbraw/zinc/33/75/38/639337538.db2.gz GPJCBQCQQBGSTP-UHFFFAOYSA-N 1 2 285.416 3.439 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2)s1)C(C)(C)C ZINC000932463243 639337542 /nfs/dbraw/zinc/33/75/42/639337542.db2.gz GPJCBQCQQBGSTP-UHFFFAOYSA-N 1 2 285.416 3.439 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000934464082 639612177 /nfs/dbraw/zinc/61/21/77/639612177.db2.gz BUWPFDNHEVHDBF-HNNXBMFYSA-N 1 2 283.375 3.119 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000934464082 639612183 /nfs/dbraw/zinc/61/21/83/639612183.db2.gz BUWPFDNHEVHDBF-HNNXBMFYSA-N 1 2 283.375 3.119 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000091439634 640713083 /nfs/dbraw/zinc/71/30/83/640713083.db2.gz DTKRGYDQEVWMPH-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000091439634 640713087 /nfs/dbraw/zinc/71/30/87/640713087.db2.gz DTKRGYDQEVWMPH-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1ccc(F)cc1 ZINC000092541573 640739213 /nfs/dbraw/zinc/73/92/13/640739213.db2.gz KUYRMAJFDBHXDR-UHFFFAOYSA-N 1 2 299.393 3.294 20 30 CGEDLO C#CC[N@H+](Cc1c(C)nn(CC)c1C)Cc1ccc(F)cc1 ZINC000092541573 640739221 /nfs/dbraw/zinc/73/92/21/640739221.db2.gz KUYRMAJFDBHXDR-UHFFFAOYSA-N 1 2 299.393 3.294 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016423202 640997896 /nfs/dbraw/zinc/99/78/96/640997896.db2.gz CIMYHMJUGUQQGR-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016423202 640997899 /nfs/dbraw/zinc/99/78/99/640997899.db2.gz CIMYHMJUGUQQGR-GFCCVEGCSA-N 1 2 298.858 3.002 20 30 CGEDLO CSCc1cc[nH+]c(N2CCC[C@H](CC#N)C2)c1 ZINC001166740592 807088690 /nfs/dbraw/zinc/08/86/90/807088690.db2.gz BBAYIHBICRMFIY-GFCCVEGCSA-N 1 2 261.394 3.075 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3Cc4cnc(Cl)cc4C3)c12 ZINC001158755989 805996557 /nfs/dbraw/zinc/99/65/57/805996557.db2.gz SOAIMXISUHXWAD-UHFFFAOYSA-N 1 2 295.733 3.003 20 30 CGEDLO C=CCC[C@H](O)CNc1[nH+]cccc1OCc1ccccc1 ZINC001252585963 806076775 /nfs/dbraw/zinc/07/67/75/806076775.db2.gz BNQCFLHACAIPCI-INIZCTEOSA-N 1 2 298.386 3.400 20 30 CGEDLO C=CCC[C@@H](O)CNc1cc(C)c2ccccc2[nH+]1 ZINC001252589734 806077651 /nfs/dbraw/zinc/07/76/51/806077651.db2.gz YGQSFBLWVYHFJP-CYBMUJFWSA-N 1 2 256.349 3.282 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1cc[nH+]c(OC)c1 ZINC001253232928 806187354 /nfs/dbraw/zinc/18/73/54/806187354.db2.gz WYHWKFMVEYBXLX-OAHLLOKOSA-N 1 2 278.396 3.390 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H](c2ccccc2)C2(O)CCC2)c1 ZINC001160541550 806283106 /nfs/dbraw/zinc/28/31/06/806283106.db2.gz RMQBETDCZXOFQD-KRWDZBQOSA-N 1 2 293.370 3.216 20 30 CGEDLO COc1cc[nH+]c(C(C)(C)CNc2cc(C)c(C#N)cn2)c1 ZINC001162129609 806509992 /nfs/dbraw/zinc/50/99/92/806509992.db2.gz KROOOIFMVIUEBT-UHFFFAOYSA-N 1 2 296.374 3.055 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165243 806563673 /nfs/dbraw/zinc/56/36/73/806563673.db2.gz VXHIUYQBVULXSK-XJKSGUPXSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165243 806563678 /nfs/dbraw/zinc/56/36/78/806563678.db2.gz VXHIUYQBVULXSK-XJKSGUPXSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001255172960 806566654 /nfs/dbraw/zinc/56/66/54/806566654.db2.gz HGEXKIGMFCSYHP-LSDHHAIUSA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001255172960 806566662 /nfs/dbraw/zinc/56/66/62/806566662.db2.gz HGEXKIGMFCSYHP-LSDHHAIUSA-N 1 2 260.406 3.469 20 30 CGEDLO CC[C@H](CC#N)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001255172987 806566957 /nfs/dbraw/zinc/56/69/57/806566957.db2.gz VFMUEHMVNNSJMG-OAHLLOKOSA-N 1 2 291.826 3.150 20 30 CGEDLO C#CC1(Nc2[nH+]cc(C)cc2/C=C/C(=O)OC)CCCCC1 ZINC001162479415 806595628 /nfs/dbraw/zinc/59/56/28/806595628.db2.gz DFKXSLSOSDOPNK-CMDGGOBGSA-N 1 2 298.386 3.324 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2CCc3sccc32)c1 ZINC001162766649 806661094 /nfs/dbraw/zinc/66/10/94/806661094.db2.gz VNYKIJCNHKZFMK-GFCCVEGCSA-N 1 2 255.346 3.309 20 30 CGEDLO C=CC(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000395406081 799505226 /nfs/dbraw/zinc/50/52/26/799505226.db2.gz VWCSONNWSBTSFJ-UHFFFAOYSA-N 1 2 284.197 3.457 20 30 CGEDLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000697611117 799847106 /nfs/dbraw/zinc/84/71/06/799847106.db2.gz SKMALLQTNNVKRT-LLVKDONJSA-N 1 2 268.307 3.285 20 30 CGEDLO Cc1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)nc1 ZINC001163678774 806799002 /nfs/dbraw/zinc/79/90/02/806799002.db2.gz RCZUBUKTQQHQKA-UHFFFAOYSA-N 1 2 279.265 3.446 20 30 CGEDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934475610 800678812 /nfs/dbraw/zinc/67/88/12/800678812.db2.gz OKIPAPWRIQCZSW-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000934475610 800678817 /nfs/dbraw/zinc/67/88/17/800678817.db2.gz OKIPAPWRIQCZSW-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028122308 800831316 /nfs/dbraw/zinc/83/13/16/800831316.db2.gz GKUASKQYDCJJAC-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028122308 800831321 /nfs/dbraw/zinc/83/13/21/800831321.db2.gz GKUASKQYDCJJAC-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028317770 800839994 /nfs/dbraw/zinc/83/99/94/800839994.db2.gz JKTYURYOCSCNNL-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028317770 800839998 /nfs/dbraw/zinc/83/99/98/800839998.db2.gz JKTYURYOCSCNNL-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394122 800962890 /nfs/dbraw/zinc/96/28/90/800962890.db2.gz PGHCNCILTAZEPQ-KBPBESRZSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033394122 800962896 /nfs/dbraw/zinc/96/28/96/800962896.db2.gz PGHCNCILTAZEPQ-KBPBESRZSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001039048943 801142930 /nfs/dbraw/zinc/14/29/30/801142930.db2.gz VBFCFKCPOTXULR-GFCCVEGCSA-N 1 2 292.448 3.036 20 30 CGEDLO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001039048943 801142934 /nfs/dbraw/zinc/14/29/34/801142934.db2.gz VBFCFKCPOTXULR-GFCCVEGCSA-N 1 2 292.448 3.036 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595144 801316924 /nfs/dbraw/zinc/31/69/24/801316924.db2.gz WXFUVKLSDSSORB-INIZCTEOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595144 801316932 /nfs/dbraw/zinc/31/69/32/801316932.db2.gz WXFUVKLSDSSORB-INIZCTEOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080382458 801652632 /nfs/dbraw/zinc/65/26/32/801652632.db2.gz MIJGIALIXRWRJX-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080382458 801652636 /nfs/dbraw/zinc/65/26/36/801652636.db2.gz MIJGIALIXRWRJX-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088802002 801808132 /nfs/dbraw/zinc/80/81/32/801808132.db2.gz ZEOMSCTZBKTROQ-MCIONIFRSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088802002 801808139 /nfs/dbraw/zinc/80/81/39/801808139.db2.gz ZEOMSCTZBKTROQ-MCIONIFRSA-N 1 2 298.858 3.144 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@](C)(CC)CCCCC)CC1 ZINC001113698251 802232974 /nfs/dbraw/zinc/23/29/74/802232974.db2.gz NQMULRAAGCVXCP-QGZVFWFLSA-N 1 2 280.456 3.313 20 30 CGEDLO COc1cc2[nH+]ccn2cc1C1=CC[C@H](C#N)CC1 ZINC001243792790 803011537 /nfs/dbraw/zinc/01/15/37/803011537.db2.gz LRGOULRPOGFHQY-NSHDSACASA-N 1 2 253.305 3.050 20 30 CGEDLO Cc1cc(C)c(CNC(=O)[C@@H](CC#N)c2ccccc2)c[nH+]1 ZINC001129715648 803250315 /nfs/dbraw/zinc/25/03/15/803250315.db2.gz YKWZSVGKATVZBC-KRWDZBQOSA-N 1 2 293.370 3.012 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131834132 803350654 /nfs/dbraw/zinc/35/06/54/803350654.db2.gz JYJGRULTDNQFON-GXTWGEPZSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131834132 803350660 /nfs/dbraw/zinc/35/06/60/803350660.db2.gz JYJGRULTDNQFON-GXTWGEPZSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131951873 803362092 /nfs/dbraw/zinc/36/20/92/803362092.db2.gz SVQUBADDSPGCDB-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131951873 803362098 /nfs/dbraw/zinc/36/20/98/803362098.db2.gz SVQUBADDSPGCDB-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132069263 803371826 /nfs/dbraw/zinc/37/18/26/803371826.db2.gz RLEMBDIPNPSNGJ-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132069263 803371832 /nfs/dbraw/zinc/37/18/32/803371832.db2.gz RLEMBDIPNPSNGJ-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132257099 803388643 /nfs/dbraw/zinc/38/86/43/803388643.db2.gz TYXJZQQXLYSISR-ZIAGYGMSSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132257099 803388649 /nfs/dbraw/zinc/38/86/49/803388649.db2.gz TYXJZQQXLYSISR-ZIAGYGMSSA-N 1 2 284.831 3.064 20 30 CGEDLO CNc1cc(-c2ccc3nc(C#N)ccc3c2)cc[nH+]1 ZINC001244976227 803600379 /nfs/dbraw/zinc/60/03/79/803600379.db2.gz OKXQAISRVAAREX-UHFFFAOYSA-N 1 2 260.300 3.210 20 30 CGEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632930 803748056 /nfs/dbraw/zinc/74/80/56/803748056.db2.gz RPAQNHJTFQJXPP-UHFFFAOYSA-N 1 2 279.181 3.163 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(C#N)c1 ZINC001137698116 803758893 /nfs/dbraw/zinc/75/88/93/803758893.db2.gz KRLDMJXYHNQMTR-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(C#N)c1 ZINC001137698116 803758896 /nfs/dbraw/zinc/75/88/96/803758896.db2.gz KRLDMJXYHNQMTR-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(C#N)c1 ZINC001137703726 803761096 /nfs/dbraw/zinc/76/10/96/803761096.db2.gz UUUUTNQOWFWCEQ-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(C#N)c1 ZINC001137703726 803761101 /nfs/dbraw/zinc/76/11/01/803761101.db2.gz UUUUTNQOWFWCEQ-SFHVURJKSA-N 1 2 293.370 3.299 20 30 CGEDLO N#CCC1CC[NH+](Cc2c(F)ccc(F)c2F)CC1 ZINC001137930610 803801016 /nfs/dbraw/zinc/80/10/16/803801016.db2.gz WCPFIJYTMQJKJX-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cnc(N)c(Cl)c2)cc1C#N ZINC001245565477 803817725 /nfs/dbraw/zinc/81/77/25/803817725.db2.gz LMJWRGZUIFXVQI-AWQFTUOYSA-N 1 2 299.765 3.077 20 30 CGEDLO CCCCN(CC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138564258 803968094 /nfs/dbraw/zinc/96/80/94/803968094.db2.gz KMMXKBOFBSFNKJ-UHFFFAOYSA-N 1 2 282.391 3.057 20 30 CGEDLO C#CCOc1ccc(C[N@H+](C)CC(=O)c2ccccc2)cc1 ZINC001138560311 803968762 /nfs/dbraw/zinc/96/87/62/803968762.db2.gz QLKUZCBOBKJBQI-UHFFFAOYSA-N 1 2 293.366 3.013 20 30 CGEDLO C#CCOc1ccc(C[N@@H+](C)CC(=O)c2ccccc2)cc1 ZINC001138560311 803968767 /nfs/dbraw/zinc/96/87/67/803968767.db2.gz QLKUZCBOBKJBQI-UHFFFAOYSA-N 1 2 293.366 3.013 20 30 CGEDLO CCCOc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001138999276 804104516 /nfs/dbraw/zinc/10/45/16/804104516.db2.gz BCUIKHZOWBHKHN-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001138999276 804104518 /nfs/dbraw/zinc/10/45/18/804104518.db2.gz BCUIKHZOWBHKHN-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(Oc3ccccc3)nc2)C1 ZINC001139243917 804170109 /nfs/dbraw/zinc/17/01/09/804170109.db2.gz HURZZPVKXCEVKB-UHFFFAOYSA-N 1 2 279.343 3.219 20 30 CGEDLO CCCCCCC[N@H+](C)Cc1c(N)ncnc1Cl ZINC001139439960 804189029 /nfs/dbraw/zinc/18/90/29/804189029.db2.gz CJSHYBKTZFQOMY-UHFFFAOYSA-N 1 2 270.808 3.114 20 30 CGEDLO CCCCCCC[N@@H+](C)Cc1c(N)ncnc1Cl ZINC001139439960 804189035 /nfs/dbraw/zinc/18/90/35/804189035.db2.gz CJSHYBKTZFQOMY-UHFFFAOYSA-N 1 2 270.808 3.114 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139523220 804201571 /nfs/dbraw/zinc/20/15/71/804201571.db2.gz ZWOBZSSLMKQUPA-GOSISDBHSA-N 1 2 277.371 3.484 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139523220 804201578 /nfs/dbraw/zinc/20/15/78/804201578.db2.gz ZWOBZSSLMKQUPA-GOSISDBHSA-N 1 2 277.371 3.484 20 30 CGEDLO COC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1C#N ZINC001139687722 804254753 /nfs/dbraw/zinc/25/47/53/804254753.db2.gz WVGGUZOBTRRFCE-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO COC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1C#N ZINC001139687722 804254760 /nfs/dbraw/zinc/25/47/60/804254760.db2.gz WVGGUZOBTRRFCE-CYBMUJFWSA-N 1 2 278.783 3.213 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139692159 804257149 /nfs/dbraw/zinc/25/71/49/804257149.db2.gz PGKNFVDLRMBGEJ-DEZZGGKRSA-N 1 2 285.778 3.478 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139692159 804257156 /nfs/dbraw/zinc/25/71/56/804257156.db2.gz PGKNFVDLRMBGEJ-DEZZGGKRSA-N 1 2 285.778 3.478 20 30 CGEDLO CCCCCC(CCCCC)N1CC[NH2+]C[C@H]1C#N ZINC001246592329 804433486 /nfs/dbraw/zinc/43/34/86/804433486.db2.gz LGDUVZKASCVLPJ-MRXNPFEDSA-N 1 2 265.445 3.313 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2Cl)C[C@@H]1F ZINC001140808365 804525785 /nfs/dbraw/zinc/52/57/85/804525785.db2.gz RBRKJMWOVBDYIX-SKDRFNHKSA-N 1 2 252.720 3.001 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)C[C@@H]1F ZINC001140808365 804525789 /nfs/dbraw/zinc/52/57/89/804525789.db2.gz RBRKJMWOVBDYIX-SKDRFNHKSA-N 1 2 252.720 3.001 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140917920 804547454 /nfs/dbraw/zinc/54/74/54/804547454.db2.gz CLUHOQFUEPKOSA-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140917920 804547456 /nfs/dbraw/zinc/54/74/56/804547456.db2.gz CLUHOQFUEPKOSA-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(F)c(F)cc1O)C1CCCC1 ZINC001142520969 804730475 /nfs/dbraw/zinc/73/04/75/804730475.db2.gz SCXICKCPSIZWKY-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO N#CCC[N@H+](Cc1cc(F)c(F)cc1O)C1CCCC1 ZINC001142520969 804730478 /nfs/dbraw/zinc/73/04/78/804730478.db2.gz SCXICKCPSIZWKY-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1F ZINC001143276873 804830866 /nfs/dbraw/zinc/83/08/66/804830866.db2.gz WYIRINVCLONYFL-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1F ZINC001143276873 804830872 /nfs/dbraw/zinc/83/08/72/804830872.db2.gz WYIRINVCLONYFL-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143560707 804866517 /nfs/dbraw/zinc/86/65/17/804866517.db2.gz CKMCMIKLHZXXKK-OJNYZHBWSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143560707 804866523 /nfs/dbraw/zinc/86/65/23/804866523.db2.gz CKMCMIKLHZXXKK-OJNYZHBWSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1F ZINC001143911266 804906078 /nfs/dbraw/zinc/90/60/78/804906078.db2.gz XWMNOTDUZNCWNS-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1F ZINC001143911266 804906083 /nfs/dbraw/zinc/90/60/83/804906083.db2.gz XWMNOTDUZNCWNS-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO CC(C)Sc1nccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001248832178 805012226 /nfs/dbraw/zinc/01/22/26/805012226.db2.gz DOIUJPAGCBTATQ-ZDUSSCGKSA-N 1 2 290.436 3.103 20 30 CGEDLO CC(C)Sc1nccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001248832178 805012236 /nfs/dbraw/zinc/01/22/36/805012236.db2.gz DOIUJPAGCBTATQ-ZDUSSCGKSA-N 1 2 290.436 3.103 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(C)ccc1C#N ZINC001249895176 805285691 /nfs/dbraw/zinc/28/56/91/805285691.db2.gz JIPLHDUMHWDNFM-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(Cl)cc(Cl)c1 ZINC001167506056 807201525 /nfs/dbraw/zinc/20/15/25/807201525.db2.gz XVISDBWNMMHZPB-UHFFFAOYSA-N 1 2 266.171 3.452 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(Cl)cc(Cl)c1 ZINC001167506056 807201532 /nfs/dbraw/zinc/20/15/32/807201532.db2.gz XVISDBWNMMHZPB-UHFFFAOYSA-N 1 2 266.171 3.452 20 30 CGEDLO CCC[N@H+](CCC#N)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257963587 807257707 /nfs/dbraw/zinc/25/77/07/807257707.db2.gz MCMWFXBMKVEFOL-CQSZACIVSA-N 1 2 278.783 3.269 20 30 CGEDLO CCC[N@@H+](CCC#N)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257963587 807257715 /nfs/dbraw/zinc/25/77/15/807257715.db2.gz MCMWFXBMKVEFOL-CQSZACIVSA-N 1 2 278.783 3.269 20 30 CGEDLO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258059830 807281666 /nfs/dbraw/zinc/28/16/66/807281666.db2.gz IPPQTHKYESFUND-UONOGXRCSA-N 1 2 252.402 3.110 20 30 CGEDLO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258088267 807299664 /nfs/dbraw/zinc/29/96/64/807299664.db2.gz KRVGZRQGXGVOFM-OCCSQVGLSA-N 1 2 265.422 3.395 20 30 CGEDLO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258088267 807299668 /nfs/dbraw/zinc/29/96/68/807299668.db2.gz KRVGZRQGXGVOFM-OCCSQVGLSA-N 1 2 265.422 3.395 20 30 CGEDLO CCCCCCCCC[C@H](C)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001258229673 807376979 /nfs/dbraw/zinc/37/69/79/807376979.db2.gz UHOJLHXNNVBPJG-DOTOQJQBSA-N 1 2 299.455 3.437 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258521228 807484042 /nfs/dbraw/zinc/48/40/42/807484042.db2.gz FJMJEEVHCNOAGZ-INIZCTEOSA-N 1 2 294.439 3.370 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170104216 807759456 /nfs/dbraw/zinc/75/94/56/807759456.db2.gz KCRZETCSKQUTJT-PVAVHDDUSA-N 1 2 287.403 3.105 20 30 CGEDLO C(#Cc1ccccc1)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001170427353 807840147 /nfs/dbraw/zinc/84/01/47/807840147.db2.gz OYNJYTGGQNSJEY-UHFFFAOYSA-N 1 2 277.371 3.145 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700901 807877452 /nfs/dbraw/zinc/87/74/52/807877452.db2.gz OJGUCIISVAXZRS-BXUZGUMPSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700901 807877458 /nfs/dbraw/zinc/87/74/58/807877458.db2.gz OJGUCIISVAXZRS-BXUZGUMPSA-N 1 2 276.330 3.058 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+]C(C#N)(CC)CC)CC1 ZINC001171945470 808157720 /nfs/dbraw/zinc/15/77/20/808157720.db2.gz FJBBIEHXJBKHGP-UHFFFAOYSA-N 1 2 280.412 3.170 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266345597 808246295 /nfs/dbraw/zinc/24/62/95/808246295.db2.gz XBAQPVVMZOLVON-UONOGXRCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266345597 808246298 /nfs/dbraw/zinc/24/62/98/808246298.db2.gz XBAQPVVMZOLVON-UONOGXRCSA-N 1 2 286.847 3.002 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H](CC)CCCCCCC)C(=O)OC ZINC001172350840 808247886 /nfs/dbraw/zinc/24/78/86/808247886.db2.gz QDFFOXNNXFCMJI-GJZGRUSLSA-N 1 2 267.413 3.280 20 30 CGEDLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H]1C ZINC001172374951 808269994 /nfs/dbraw/zinc/26/99/94/808269994.db2.gz QMTIAUORGOZJQV-RFHZTLPTSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C[C@H]1C ZINC001172374951 808270000 /nfs/dbraw/zinc/27/00/00/808270000.db2.gz QMTIAUORGOZJQV-RFHZTLPTSA-N 1 2 265.422 3.085 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)CC2 ZINC001172829150 808450075 /nfs/dbraw/zinc/45/00/75/808450075.db2.gz ATTNQKCFWVVIHT-DLBZAZTESA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)CC2 ZINC001172829150 808450078 /nfs/dbraw/zinc/45/00/78/808450078.db2.gz ATTNQKCFWVVIHT-DLBZAZTESA-N 1 2 299.439 3.126 20 30 CGEDLO N#Cc1ccc(F)c(F)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213034667 815207844 /nfs/dbraw/zinc/20/78/44/815207844.db2.gz WOZSFASMXIMPQP-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO CO[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001172917194 808478934 /nfs/dbraw/zinc/47/89/34/808478934.db2.gz BHXOGODMOWVEGL-ZIAGYGMSSA-N 1 2 250.386 3.150 20 30 CGEDLO Cc1[nH]c2ccc(-n3cc(C#N)c4ccc(N)cc43)cc2[nH+]1 ZINC001213075364 815223707 /nfs/dbraw/zinc/22/37/07/815223707.db2.gz QHBDBDNQDVDVTA-UHFFFAOYSA-N 1 2 287.326 3.269 20 30 CGEDLO C#Cc1cc(Nc2ccc3cc(OC)ccc3c2)cc[nH+]1 ZINC001174030344 808831768 /nfs/dbraw/zinc/83/17/68/808831768.db2.gz MELLXXZMUNVRDY-UHFFFAOYSA-N 1 2 274.323 3.390 20 30 CGEDLO C=CCN1CC[C@@]2(CCC[N@@H+](c3ccc(C)cc3)CC2)C1=O ZINC001274799200 808887502 /nfs/dbraw/zinc/88/75/02/808887502.db2.gz FSJSOUJXSRNEQJ-IBGZPJMESA-N 1 2 298.430 3.390 20 30 CGEDLO C=CCN1CC[C@@]2(CCC[N@H+](c3ccc(C)cc3)CC2)C1=O ZINC001274799200 808887507 /nfs/dbraw/zinc/88/75/07/808887507.db2.gz FSJSOUJXSRNEQJ-IBGZPJMESA-N 1 2 298.430 3.390 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1Cl ZINC001274961584 808895073 /nfs/dbraw/zinc/89/50/73/808895073.db2.gz RYFAKMWVSYEUNW-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO COc1cc(C#N)cc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174415925 809009789 /nfs/dbraw/zinc/00/97/89/809009789.db2.gz WLLWBBVSSGXQIB-UHFFFAOYSA-N 1 2 264.288 3.138 20 30 CGEDLO CCc1[nH+]ccc(C)c1Nc1ccc(N)c(C#N)c1 ZINC001213433389 815281150 /nfs/dbraw/zinc/28/11/50/815281150.db2.gz BKTLWMUVJWOIOL-UHFFFAOYSA-N 1 2 252.321 3.150 20 30 CGEDLO Cc1coc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175712462 809516996 /nfs/dbraw/zinc/51/69/96/809516996.db2.gz LXIGRCKTUBZREP-UHFFFAOYSA-N 1 2 282.225 3.199 20 30 CGEDLO COc1cc[nH+]cc1Nc1nc(Cl)cc(C)c1C#N ZINC001176121768 809629087 /nfs/dbraw/zinc/62/90/87/809629087.db2.gz OUCDCEJNPGAMNP-UHFFFAOYSA-N 1 2 274.711 3.062 20 30 CGEDLO C=CCn1cc(Nc2ccc([N@@H+](C)CC)cc2)cn1 ZINC001176551033 809716015 /nfs/dbraw/zinc/71/60/15/809716015.db2.gz USAZTZMGUAANRL-UHFFFAOYSA-N 1 2 256.353 3.269 20 30 CGEDLO C=CCn1cc(Nc2ccc([N@H+](C)CC)cc2)cn1 ZINC001176551033 809716024 /nfs/dbraw/zinc/71/60/24/809716024.db2.gz USAZTZMGUAANRL-UHFFFAOYSA-N 1 2 256.353 3.269 20 30 CGEDLO Cc1nsc(Nc2ccc[nH+]c2N2CCCC2)c1C#N ZINC001176744356 809756727 /nfs/dbraw/zinc/75/67/27/809756727.db2.gz URQOPUNPYXJCSA-UHFFFAOYSA-N 1 2 285.376 3.062 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1ncccc1F ZINC001179997590 809965948 /nfs/dbraw/zinc/96/59/48/809965948.db2.gz PYOUXSNUZNFCCZ-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ncccc1F ZINC001179997590 809965951 /nfs/dbraw/zinc/96/59/51/809965951.db2.gz PYOUXSNUZNFCCZ-UHFFFAOYSA-N 1 2 256.324 3.409 20 30 CGEDLO COc1cccc([NH+]=C(NO)c2ccccc2N)c1C1CC1 ZINC001213807217 815334712 /nfs/dbraw/zinc/33/47/12/815334712.db2.gz CUJMHVWCUHAQHR-UHFFFAOYSA-N 1 2 297.358 3.212 20 30 CGEDLO Fc1cc2c(c(F)c1)[C@H]([NH2+]CC#Cc1ccccc1)CO2 ZINC001180820686 810023000 /nfs/dbraw/zinc/02/30/00/810023000.db2.gz RASFUKLDMOMQEM-OAHLLOKOSA-N 1 2 285.293 3.040 20 30 CGEDLO CCCCCCC[C@@H](C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001181119758 810037914 /nfs/dbraw/zinc/03/79/14/810037914.db2.gz BRYANRHDWYQJST-CYBMUJFWSA-N 1 2 279.428 3.373 20 30 CGEDLO N#CCc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184964564 810226128 /nfs/dbraw/zinc/22/61/28/810226128.db2.gz ODMYNPAZEDTPRZ-UHFFFAOYSA-N 1 2 278.359 3.491 20 30 CGEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001191123187 810679878 /nfs/dbraw/zinc/67/98/78/810679878.db2.gz KFGUGQLBVBRVNJ-UHFFFAOYSA-N 1 2 292.427 3.378 20 30 CGEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccsc1 ZINC001193797720 810958428 /nfs/dbraw/zinc/95/84/28/810958428.db2.gz OHLGCBSEYPNCKQ-JTQLQIEISA-N 1 2 287.344 3.379 20 30 CGEDLO CC#CC[N@H+](C)Cc1cc(Br)cc(F)c1F ZINC001194734558 811120289 /nfs/dbraw/zinc/12/02/89/811120289.db2.gz WJRZVVZEOUBMMW-UHFFFAOYSA-N 1 2 288.135 3.182 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cc(Br)cc(F)c1F ZINC001194734558 811120293 /nfs/dbraw/zinc/12/02/93/811120293.db2.gz WJRZVVZEOUBMMW-UHFFFAOYSA-N 1 2 288.135 3.182 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(C)(C)CC)CC1 ZINC001195974855 811308770 /nfs/dbraw/zinc/30/87/70/811308770.db2.gz RMWJKQCPYJEHMP-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(C)(C)CC)CC1 ZINC001195974855 811308777 /nfs/dbraw/zinc/30/87/77/811308777.db2.gz RMWJKQCPYJEHMP-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc2cnccc2o1 ZINC001197229034 811407220 /nfs/dbraw/zinc/40/72/20/811407220.db2.gz AXGHWGYKMDEUAL-SECBINFHSA-N 1 2 284.344 3.007 20 30 CGEDLO Cc1cn2c(cccc2Nc2ccc(C#N)cc2F)[nH+]1 ZINC001201555318 811901776 /nfs/dbraw/zinc/90/17/76/811901776.db2.gz AHCBYVRWVOMWPH-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2nonc21 ZINC001203124893 812247305 /nfs/dbraw/zinc/24/73/05/812247305.db2.gz ZTUMUCZCSUZXGC-UHFFFAOYSA-N 1 2 292.342 3.139 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2nonc21 ZINC001203124893 812247309 /nfs/dbraw/zinc/24/73/09/812247309.db2.gz ZTUMUCZCSUZXGC-UHFFFAOYSA-N 1 2 292.342 3.139 20 30 CGEDLO COC(=O)c1cc(C#N)cc(Nc2ccc(C)[nH+]c2C)c1 ZINC001203376543 812332384 /nfs/dbraw/zinc/33/23/84/812332384.db2.gz NXOQEBKUKFSYOY-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO C[C@@H]1C(=O)CC[N@H+](Cc2ccccc2C#N)C12CCCC2 ZINC001204375316 812623062 /nfs/dbraw/zinc/62/30/62/812623062.db2.gz XVLYKWTZIIYPGO-CQSZACIVSA-N 1 2 282.387 3.282 20 30 CGEDLO C[C@@H]1C(=O)CC[N@@H+](Cc2ccccc2C#N)C12CCCC2 ZINC001204375316 812623067 /nfs/dbraw/zinc/62/30/67/812623067.db2.gz XVLYKWTZIIYPGO-CQSZACIVSA-N 1 2 282.387 3.282 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cn(C(C)=O)c2ccccc12 ZINC001204406437 812630358 /nfs/dbraw/zinc/63/03/58/812630358.db2.gz FGLULGRGEVLVSB-UHFFFAOYSA-N 1 2 283.375 3.427 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cn(C(C)=O)c2ccccc12 ZINC001204406437 812630359 /nfs/dbraw/zinc/63/03/59/812630359.db2.gz FGLULGRGEVLVSB-UHFFFAOYSA-N 1 2 283.375 3.427 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1ncccc1OC ZINC001206650629 813387226 /nfs/dbraw/zinc/38/72/26/813387226.db2.gz SCPHUGUFSLFBOI-UHFFFAOYSA-N 1 2 268.360 3.278 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ncccc1OC ZINC001206650629 813387232 /nfs/dbraw/zinc/38/72/32/813387232.db2.gz SCPHUGUFSLFBOI-UHFFFAOYSA-N 1 2 268.360 3.278 20 30 CGEDLO O=C1C=C2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]2S1 ZINC001207345065 813544179 /nfs/dbraw/zinc/54/41/79/813544179.db2.gz ABLAZVUDVZCKHJ-LBPRGKRZSA-N 1 2 287.375 3.086 20 30 CGEDLO O=C1C=C2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]2S1 ZINC001207345065 813544185 /nfs/dbraw/zinc/54/41/85/813544185.db2.gz ABLAZVUDVZCKHJ-LBPRGKRZSA-N 1 2 287.375 3.086 20 30 CGEDLO N#CCC[N@@H+](CCc1ccc(F)cc1)Cc1cccnc1 ZINC001207511404 813581344 /nfs/dbraw/zinc/58/13/44/813581344.db2.gz MOKKAPUCIRUUTK-UHFFFAOYSA-N 1 2 283.350 3.179 20 30 CGEDLO N#CCC[N@H+](CCc1ccc(F)cc1)Cc1cccnc1 ZINC001207511404 813581349 /nfs/dbraw/zinc/58/13/49/813581349.db2.gz MOKKAPUCIRUUTK-UHFFFAOYSA-N 1 2 283.350 3.179 20 30 CGEDLO N#CCC[N@@H+](CCc1cccc(F)c1)Cc1cccnc1 ZINC001208196234 813741081 /nfs/dbraw/zinc/74/10/81/813741081.db2.gz KVDFRFZWJPDJTR-UHFFFAOYSA-N 1 2 283.350 3.179 20 30 CGEDLO N#CCC[N@H+](CCc1cccc(F)c1)Cc1cccnc1 ZINC001208196234 813741091 /nfs/dbraw/zinc/74/10/91/813741091.db2.gz KVDFRFZWJPDJTR-UHFFFAOYSA-N 1 2 283.350 3.179 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3ccc(Cl)cc3)CCC2S1 ZINC001208740735 813829661 /nfs/dbraw/zinc/82/96/61/813829661.db2.gz TWICGIJEPJJPJT-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Cl)cc3)CCC2S1 ZINC001208740735 813829675 /nfs/dbraw/zinc/82/96/75/813829675.db2.gz TWICGIJEPJJPJT-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3ccc(Cl)cc3)CC[C@@H]2S1 ZINC001208740735 813829681 /nfs/dbraw/zinc/82/96/81/813829681.db2.gz TWICGIJEPJJPJT-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@@H]2S1 ZINC001208740735 813829694 /nfs/dbraw/zinc/82/96/94/813829694.db2.gz TWICGIJEPJJPJT-AWEZNQCLSA-N 1 2 293.819 3.157 20 30 CGEDLO N#Cc1cccc(CCC[N@H+]2CCCC(F)(F)C2)c1 ZINC001208844586 813863214 /nfs/dbraw/zinc/86/32/14/813863214.db2.gz KRFIEVSYVYUSOV-UHFFFAOYSA-N 1 2 264.319 3.222 20 30 CGEDLO N#Cc1cccc(CCC[N@@H+]2CCCC(F)(F)C2)c1 ZINC001208844586 813863222 /nfs/dbraw/zinc/86/32/22/813863222.db2.gz KRFIEVSYVYUSOV-UHFFFAOYSA-N 1 2 264.319 3.222 20 30 CGEDLO C[C@@H]1C[C@@H](C[N@H+](CCC#N)Cc2cccnc2)C[C@H](C)O1 ZINC001209378570 814007108 /nfs/dbraw/zinc/00/71/08/814007108.db2.gz BSFDHESPNOESDS-SCAQPMJSSA-N 1 2 287.407 3.001 20 30 CGEDLO C[C@@H]1C[C@@H](C[N@@H+](CCC#N)Cc2cccnc2)C[C@H](C)O1 ZINC001209378570 814007117 /nfs/dbraw/zinc/00/71/17/814007117.db2.gz BSFDHESPNOESDS-SCAQPMJSSA-N 1 2 287.407 3.001 20 30 CGEDLO Cc1[nH]ncc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001209555617 814083493 /nfs/dbraw/zinc/08/34/93/814083493.db2.gz ASOSMZYGFIQPHA-UHFFFAOYSA-N 1 2 294.402 3.045 20 30 CGEDLO Cc1cc(-n2ccc3c2cc(C#N)cc3N)ccc1[NH+](C)C ZINC001210043007 814260316 /nfs/dbraw/zinc/26/03/16/814260316.db2.gz IJOQAJOPDLNJFN-UHFFFAOYSA-N 1 2 290.370 3.459 20 30 CGEDLO CCOc1cc(Nc2cccc(OC)c2C#N)cc(C)[nH+]1 ZINC001210120970 814298655 /nfs/dbraw/zinc/29/86/55/814298655.db2.gz SBRVTWWBLKWQCU-UHFFFAOYSA-N 1 2 283.331 3.413 20 30 CGEDLO Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cnc1C#N ZINC001210203895 814338569 /nfs/dbraw/zinc/33/85/69/814338569.db2.gz FLFZCJBLUWGJLP-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO Cc1cc(C#N)cc(C)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210287944 814382300 /nfs/dbraw/zinc/38/23/00/814382300.db2.gz IBEYFCLFJIMPQP-UHFFFAOYSA-N 1 2 252.321 3.204 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1cccn2cc[nH+]c12 ZINC001210552233 814522533 /nfs/dbraw/zinc/52/25/33/814522533.db2.gz ZLVNYZBWKXCQSS-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO Cc1ccc(Nc2ccc3c(c2)[nH+]cn3C)c(C#N)c1 ZINC001210569520 814532959 /nfs/dbraw/zinc/53/29/59/814532959.db2.gz OTHOGWMULBMCRA-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO Cn1c2ccccc2[nH+]c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211326739 814878905 /nfs/dbraw/zinc/87/89/05/814878905.db2.gz GFMHRDWMNNLTGX-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C)c(C#N)c2)c[nH+]1 ZINC001216074671 815681463 /nfs/dbraw/zinc/68/14/63/815681463.db2.gz PITKRDDINUHCMZ-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cnc1F ZINC001231992951 818226167 /nfs/dbraw/zinc/22/61/67/818226167.db2.gz PDMJTCKODBPEHY-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cnc1F ZINC001231992951 818226174 /nfs/dbraw/zinc/22/61/74/818226174.db2.gz PDMJTCKODBPEHY-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001232071753 818244662 /nfs/dbraw/zinc/24/46/62/818244662.db2.gz OCYTYLNZMZBKNH-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001232071753 818244668 /nfs/dbraw/zinc/24/46/68/818244668.db2.gz OCYTYLNZMZBKNH-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232071738 818245720 /nfs/dbraw/zinc/24/57/20/818245720.db2.gz NWJUCTIBTMLFAR-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO C#CC1CC[NH+](Cc2c(F)cc(F)cc2Cl)CC1 ZINC001232103895 818257425 /nfs/dbraw/zinc/25/74/25/818257425.db2.gz IWHZKWGABYAJHG-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1Cl ZINC001232111706 818258687 /nfs/dbraw/zinc/25/86/87/818258687.db2.gz KBGMGCZJGGXKLB-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1Cl ZINC001232111706 818258692 /nfs/dbraw/zinc/25/86/92/818258692.db2.gz KBGMGCZJGGXKLB-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(SC)nc1 ZINC001232329738 818316312 /nfs/dbraw/zinc/31/63/12/818316312.db2.gz ZTOVCTHIXKIYQV-UHFFFAOYSA-N 1 2 263.410 3.319 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(SC)nc1 ZINC001232329738 818316314 /nfs/dbraw/zinc/31/63/14/818316314.db2.gz ZTOVCTHIXKIYQV-UHFFFAOYSA-N 1 2 263.410 3.319 20 30 CGEDLO CCOc1ccnc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001232581356 818390742 /nfs/dbraw/zinc/39/07/42/818390742.db2.gz MOAJVTMZGOHHBL-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO CCOc1ccnc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001232581356 818390750 /nfs/dbraw/zinc/39/07/50/818390750.db2.gz MOAJVTMZGOHHBL-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001232675065 818417151 /nfs/dbraw/zinc/41/71/51/818417151.db2.gz LCFIZWIICYIUPJ-UHFFFAOYSA-N 1 2 270.376 3.420 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001232675065 818417154 /nfs/dbraw/zinc/41/71/54/818417154.db2.gz LCFIZWIICYIUPJ-UHFFFAOYSA-N 1 2 270.376 3.420 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001232678772 818417326 /nfs/dbraw/zinc/41/73/26/818417326.db2.gz PFFCSMDKBDJPLD-UHFFFAOYSA-N 1 2 256.349 3.030 20 30 CGEDLO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(C#N)c1 ZINC001232962280 818484099 /nfs/dbraw/zinc/48/40/99/818484099.db2.gz LXEGYKURJNGPMR-UHFFFAOYSA-N 1 2 291.398 3.189 20 30 CGEDLO COc1ccc([C@@H](C)[N@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233047851 818510420 /nfs/dbraw/zinc/51/04/20/818510420.db2.gz NMMQTYSDBAURMF-GFCCVEGCSA-N 1 2 269.348 3.088 20 30 CGEDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233047851 818510429 /nfs/dbraw/zinc/51/04/29/818510429.db2.gz NMMQTYSDBAURMF-GFCCVEGCSA-N 1 2 269.348 3.088 20 30 CGEDLO CCCC[N@H+](CC(=O)OCC)Cc1ccc(C#N)cc1C ZINC001233082758 818521684 /nfs/dbraw/zinc/52/16/84/818521684.db2.gz XNYPNXQZFAEPFS-UHFFFAOYSA-N 1 2 288.391 3.032 20 30 CGEDLO CCCC[N@@H+](CC(=O)OCC)Cc1ccc(C#N)cc1C ZINC001233082758 818521689 /nfs/dbraw/zinc/52/16/89/818521689.db2.gz XNYPNXQZFAEPFS-UHFFFAOYSA-N 1 2 288.391 3.032 20 30 CGEDLO Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001233248619 818552782 /nfs/dbraw/zinc/55/27/82/818552782.db2.gz RYANYXKORAFCJO-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001233248619 818552788 /nfs/dbraw/zinc/55/27/88/818552788.db2.gz RYANYXKORAFCJO-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233391714 818609293 /nfs/dbraw/zinc/60/92/93/818609293.db2.gz SXMWPPOPQNMJCR-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233391714 818609297 /nfs/dbraw/zinc/60/92/97/818609297.db2.gz SXMWPPOPQNMJCR-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(O)c1Cl ZINC001236810908 819603919 /nfs/dbraw/zinc/60/39/19/819603919.db2.gz DXNUIXCDVDYXPP-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c1Cl ZINC001236810908 819603922 /nfs/dbraw/zinc/60/39/22/819603922.db2.gz DXNUIXCDVDYXPP-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)cc1F ZINC001236834238 819612902 /nfs/dbraw/zinc/61/29/02/819612902.db2.gz IRIBNWDFSRJSAY-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)cc1F ZINC001236834238 819612906 /nfs/dbraw/zinc/61/29/06/819612906.db2.gz IRIBNWDFSRJSAY-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236907989 819636579 /nfs/dbraw/zinc/63/65/79/819636579.db2.gz LDWWMSJVLUWKKI-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236907989 819636585 /nfs/dbraw/zinc/63/65/85/819636585.db2.gz LDWWMSJVLUWKKI-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO Cc1c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc(F)c1F ZINC001237158834 819684868 /nfs/dbraw/zinc/68/48/68/819684868.db2.gz OONBXTVLKUDXAV-ZDUSSCGKSA-N 1 2 295.354 3.047 20 30 CGEDLO Cc1c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc(F)c1F ZINC001237158834 819684872 /nfs/dbraw/zinc/68/48/72/819684872.db2.gz OONBXTVLKUDXAV-ZDUSSCGKSA-N 1 2 295.354 3.047 20 30 CGEDLO N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)cnc1F ZINC001243659210 823477422 /nfs/dbraw/zinc/47/74/22/823477422.db2.gz NUBAKYAZIBZMTO-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#CCc1cccc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240509343 821104192 /nfs/dbraw/zinc/10/41/92/821104192.db2.gz XHCYSPYJRIAKRQ-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1ccc2cc(-c3ccn4cc[nH+]c4c3)ccc2n1 ZINC001240511959 821106948 /nfs/dbraw/zinc/10/69/48/821106948.db2.gz NLBWUNCSIHQJBR-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1cc(C)cc(C#N)c1 ZINC001242479837 823007147 /nfs/dbraw/zinc/00/71/47/823007147.db2.gz MSFMWTDTTVYUEY-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=CCO[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC001339864699 936388289 /nfs/dbraw/zinc/38/82/89/936388289.db2.gz FWUZIZWHFZXLCS-CYBMUJFWSA-N 1 2 284.359 3.025 20 30 CGEDLO C=CC1(CC(=O)OCCCc2[nH+]ccn2C)CCCCC1 ZINC001348125709 936911509 /nfs/dbraw/zinc/91/15/09/936911509.db2.gz ARAAWNSTSAOUBI-UHFFFAOYSA-N 1 2 290.407 3.423 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc(C#N)c1O ZINC001350977111 937004771 /nfs/dbraw/zinc/00/47/71/937004771.db2.gz YDCLFZQPIDPLLY-YXCITZCRSA-N 1 2 292.329 3.348 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCC=CCCC1 ZINC001480982114 926852150 /nfs/dbraw/zinc/85/21/50/926852150.db2.gz KHUHUMBLPMIZSQ-HNNXBMFYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCC=CCCC1 ZINC001480982114 926852160 /nfs/dbraw/zinc/85/21/60/926852160.db2.gz KHUHUMBLPMIZSQ-HNNXBMFYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccoc1C(C)C ZINC001483424992 927503807 /nfs/dbraw/zinc/50/38/07/927503807.db2.gz YSKCMBOLERVSMG-LBPRGKRZSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccoc1C(C)C ZINC001483424992 927503818 /nfs/dbraw/zinc/50/38/18/927503818.db2.gz YSKCMBOLERVSMG-LBPRGKRZSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(C)CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001358067041 937187143 /nfs/dbraw/zinc/18/71/43/937187143.db2.gz MEDQTKSGPYGZKX-UHFFFAOYSA-N 1 2 273.311 3.306 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC1=CCCCC1 ZINC001485285052 927837963 /nfs/dbraw/zinc/83/79/63/927837963.db2.gz XUZOFTJXQVBEKE-ZDUSSCGKSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC1=CCCCC1 ZINC001485285052 927837973 /nfs/dbraw/zinc/83/79/73/927837973.db2.gz XUZOFTJXQVBEKE-ZDUSSCGKSA-N 1 2 284.831 3.066 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)c(F)c3)ccc21 ZINC001204060432 932001256 /nfs/dbraw/zinc/00/12/56/932001256.db2.gz AVMCKTFXOOQHOW-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO C=C(Cl)C[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001307849793 933008974 /nfs/dbraw/zinc/00/89/74/933008974.db2.gz DWQBNLFOFNLMQO-UHFFFAOYSA-N 1 2 281.783 3.421 20 30 CGEDLO C=C(Cl)C[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001307849793 933008978 /nfs/dbraw/zinc/00/89/78/933008978.db2.gz DWQBNLFOFNLMQO-UHFFFAOYSA-N 1 2 281.783 3.421 20 30 CGEDLO N#Cc1cc(NCc2ccc[nH+]c2N)ccc1C1CC1 ZINC001462540946 937649412 /nfs/dbraw/zinc/64/94/12/937649412.db2.gz MIQGFPKJQAOEDL-UHFFFAOYSA-N 1 2 264.332 3.025 20 30 CGEDLO C=C(Br)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001310835258 933262559 /nfs/dbraw/zinc/26/25/59/933262559.db2.gz SSIVJZKZYPIPEJ-UHFFFAOYSA-N 1 2 298.184 3.037 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001317467175 933599336 /nfs/dbraw/zinc/59/93/36/933599336.db2.gz PULHFGSVGZUYST-ZDUSSCGKSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001317467175 933599337 /nfs/dbraw/zinc/59/93/37/933599337.db2.gz PULHFGSVGZUYST-ZDUSSCGKSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001317754648 933645448 /nfs/dbraw/zinc/64/54/48/933645448.db2.gz PHOXDEFRCJNPBA-ZDWRTJATSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001317754648 933645451 /nfs/dbraw/zinc/64/54/51/933645451.db2.gz PHOXDEFRCJNPBA-ZDWRTJATSA-N 1 2 284.831 3.018 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N)c(Cl)c2)nc1 ZINC001319543655 933890718 /nfs/dbraw/zinc/89/07/18/933890718.db2.gz SCVHTLRFDIYFFQ-UHFFFAOYSA-N 1 2 260.728 3.072 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc3c(c2)CCC3)c1 ZINC001320400509 934042596 /nfs/dbraw/zinc/04/25/96/934042596.db2.gz GLHUSKAMJSWMNM-UHFFFAOYSA-N 1 2 263.344 3.248 20 30 CGEDLO CN(C)c1cc(CSCc2cccc(C#N)c2)cc[nH+]1 ZINC001320405260 934044727 /nfs/dbraw/zinc/04/47/27/934044727.db2.gz JGHVFIIOXUPYHL-UHFFFAOYSA-N 1 2 283.400 3.453 20 30 CGEDLO Fc1cc(N[NH+]=Cc2ccccc2N2CCCC2)ccn1 ZINC001320804721 934107292 /nfs/dbraw/zinc/10/72/92/934107292.db2.gz PYQIDGNWHLFLMH-UHFFFAOYSA-N 1 2 284.338 3.267 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](CC)Cc1cccs1)C(=O)OCC ZINC001320905049 934121654 /nfs/dbraw/zinc/12/16/54/934121654.db2.gz GOTFPCXYNUDNGG-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](CC)CC2)c1=S ZINC001321998528 934229752 /nfs/dbraw/zinc/22/97/52/934229752.db2.gz GUCKWPGNNKUSSK-CYBMUJFWSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](CC)CC2)c1=S ZINC001321998528 934229756 /nfs/dbraw/zinc/22/97/56/934229756.db2.gz GUCKWPGNNKUSSK-CYBMUJFWSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](CC)CC2)c1=S ZINC001321998533 934230452 /nfs/dbraw/zinc/23/04/52/934230452.db2.gz GUCKWPGNNKUSSK-ZDUSSCGKSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](CC)CC2)c1=S ZINC001321998533 934230455 /nfs/dbraw/zinc/23/04/55/934230455.db2.gz GUCKWPGNNKUSSK-ZDUSSCGKSA-N 1 2 280.441 3.070 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(C#N)c(F)c1 ZINC001323546599 934405897 /nfs/dbraw/zinc/40/58/97/934405897.db2.gz WYGYPBHPELJWPO-FPLPWBNLSA-N 1 2 295.317 3.054 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001324364753 934492964 /nfs/dbraw/zinc/49/29/64/934492964.db2.gz HOPAGCSTYWEHBU-UHFFFAOYSA-N 1 2 290.710 3.276 20 30 CGEDLO C=CCCC[NH2+][C@@H](Cc1ccccc1Cl)C(=O)OCC ZINC001473700612 937817974 /nfs/dbraw/zinc/81/79/74/937817974.db2.gz XELWKZJMQAGSNG-HNNXBMFYSA-N 1 2 295.810 3.370 20 30 CGEDLO COc1c(C)c[nH+]c(CNc2ccc(OCC#N)cc2)c1C ZINC001330614077 935303302 /nfs/dbraw/zinc/30/33/02/935303302.db2.gz HOSKUWZHZBKNIL-UHFFFAOYSA-N 1 2 297.358 3.222 20 30 CGEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1F ZINC001330619135 935304358 /nfs/dbraw/zinc/30/43/58/935304358.db2.gz UKXMYBBPWYYYMV-UHFFFAOYSA-N 1 2 295.317 3.250 20 30 CGEDLO CCc1cc(NCC2CCC(C#N)CC2)nc(CC)[nH+]1 ZINC001335001490 936125888 /nfs/dbraw/zinc/12/58/88/936125888.db2.gz VBVAIEJOBKBAEP-UHFFFAOYSA-N 1 2 272.396 3.343 20 30 CGEDLO C=CCC[C@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC001338029453 936302808 /nfs/dbraw/zinc/30/28/08/936302808.db2.gz QVEYYSCYAKZYOB-AWEZNQCLSA-N 1 2 272.396 3.012 20 30 CGEDLO C=CCC[C@H]1CCCN1c1cc(N2CCCC2)nc[nH+]1 ZINC001338029453 936302814 /nfs/dbraw/zinc/30/28/14/936302814.db2.gz QVEYYSCYAKZYOB-AWEZNQCLSA-N 1 2 272.396 3.012 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC001473836603 937823855 /nfs/dbraw/zinc/82/38/55/937823855.db2.gz FNHSRJRAOOINGB-UHFFFAOYSA-N 1 2 284.359 3.242 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC001473836603 937823857 /nfs/dbraw/zinc/82/38/57/937823857.db2.gz FNHSRJRAOOINGB-UHFFFAOYSA-N 1 2 284.359 3.242 20 30 CGEDLO N#CCc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC001474246304 937846133 /nfs/dbraw/zinc/84/61/33/937846133.db2.gz PZCNCZHZRWTGFG-UHFFFAOYSA-N 1 2 295.371 3.007 20 30 CGEDLO C=C(CC)CNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001476657904 937889449 /nfs/dbraw/zinc/88/94/49/937889449.db2.gz JDALVQIBMNCGBD-UHFFFAOYSA-N 1 2 298.390 3.389 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)cc1C ZINC001498441318 937969920 /nfs/dbraw/zinc/96/99/20/937969920.db2.gz UEGAYTMRQNWZQJ-CQSZACIVSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)cc1C ZINC001498441318 937969921 /nfs/dbraw/zinc/96/99/21/937969921.db2.gz UEGAYTMRQNWZQJ-CQSZACIVSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001506744726 937991716 /nfs/dbraw/zinc/99/17/16/937991716.db2.gz APFOMWYMXFSNMW-CZUORRHYSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001506744726 937991717 /nfs/dbraw/zinc/99/17/17/937991717.db2.gz APFOMWYMXFSNMW-CZUORRHYSA-N 1 2 298.858 3.168 20 30 CGEDLO C=CC1(CC(=O)N2CCc3cc[nH+]c(N)c3C2)CCCCC1 ZINC001557842088 938212072 /nfs/dbraw/zinc/21/20/72/938212072.db2.gz VKCJZEYZEBQFSW-UHFFFAOYSA-N 1 2 299.418 3.075 20 30 CGEDLO C=CC[C@@H]1CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001558704114 938217185 /nfs/dbraw/zinc/21/71/85/938217185.db2.gz IUFSNARQWTYHSS-OAHLLOKOSA-N 1 2 293.370 3.038 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1OC(C)C)C1CSC1 ZINC001559986583 938241001 /nfs/dbraw/zinc/24/10/01/938241001.db2.gz XTMHYEVHBRQRCX-UHFFFAOYSA-N 1 2 275.417 3.024 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1OC(C)C)C1CSC1 ZINC001559986583 938241002 /nfs/dbraw/zinc/24/10/02/938241002.db2.gz XTMHYEVHBRQRCX-UHFFFAOYSA-N 1 2 275.417 3.024 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001560209641 938247441 /nfs/dbraw/zinc/24/74/41/938247441.db2.gz UBWYDHIWWSRRGU-MRXNPFEDSA-N 1 2 296.370 3.338 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001560209641 938247442 /nfs/dbraw/zinc/24/74/42/938247442.db2.gz UBWYDHIWWSRRGU-MRXNPFEDSA-N 1 2 296.370 3.338 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(F)c(F)cc1O ZINC001560657427 938268238 /nfs/dbraw/zinc/26/82/38/938268238.db2.gz MBIJFLIMALMQCE-UHFFFAOYSA-N 1 2 282.334 3.432 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(F)c(F)cc1O ZINC001560657427 938268240 /nfs/dbraw/zinc/26/82/40/938268240.db2.gz MBIJFLIMALMQCE-UHFFFAOYSA-N 1 2 282.334 3.432 20 30 CGEDLO CC(C)COC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001560710426 938271773 /nfs/dbraw/zinc/27/17/73/938271773.db2.gz JSAYKTRNNNORPZ-UHFFFAOYSA-N 1 2 286.419 3.345 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1sc(N2CCCC2)nc1Cl ZINC001560740785 938273395 /nfs/dbraw/zinc/27/33/95/938273395.db2.gz CFEHUHWWTGQVQE-UHFFFAOYSA-N 1 2 298.843 3.036 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)OC ZINC001560879592 938281412 /nfs/dbraw/zinc/28/14/12/938281412.db2.gz FQZUBTJDTCPPNR-KKUMJFAQSA-N 1 2 279.424 3.136 20 30 CGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001481383736 957711786 /nfs/dbraw/zinc/71/17/86/957711786.db2.gz JXAUNDKMBPMCKV-QCCHYHNISA-N 1 2 296.842 3.016 20 30 CGEDLO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001481383736 957711795 /nfs/dbraw/zinc/71/17/95/957711795.db2.gz JXAUNDKMBPMCKV-QCCHYHNISA-N 1 2 296.842 3.016 20 30 CGEDLO N#CC12CCC(Nc3ccc(Cl)c(N)[nH+]3)(CC1)CC2 ZINC001158788480 958831980 /nfs/dbraw/zinc/83/19/80/958831980.db2.gz IJXHRMJAWZBLML-UHFFFAOYSA-N 1 2 276.771 3.346 20 30 CGEDLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CC#N ZINC001560574410 960609271 /nfs/dbraw/zinc/60/92/71/960609271.db2.gz BMUBRPHHZFNWCE-QMMMGPOBSA-N 1 2 273.163 3.394 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001567299731 961261535 /nfs/dbraw/zinc/26/15/35/961261535.db2.gz ODIYSHFZVIXESX-UHFFFAOYSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001567299731 961261556 /nfs/dbraw/zinc/26/15/56/961261556.db2.gz ODIYSHFZVIXESX-UHFFFAOYSA-N 1 2 298.858 3.003 20 30 CGEDLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccc(C#N)cc1 ZINC000337558368 214155724 /nfs/dbraw/zinc/15/57/24/214155724.db2.gz SPZZPEFAHFZUIQ-GFCCVEGCSA-N 1 2 250.292 3.397 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590654387 346859870 /nfs/dbraw/zinc/85/98/70/346859870.db2.gz CXUKTQGSLRITLX-UHFFFAOYSA-N 1 2 275.739 3.383 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2cc(Cl)cnc2o1 ZINC000590654387 346859872 /nfs/dbraw/zinc/85/98/72/346859872.db2.gz CXUKTQGSLRITLX-UHFFFAOYSA-N 1 2 275.739 3.383 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439453688 529396741 /nfs/dbraw/zinc/39/67/41/529396741.db2.gz QKMVHYJXTVDHDS-BXUZGUMPSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439453688 529396743 /nfs/dbraw/zinc/39/67/43/529396743.db2.gz QKMVHYJXTVDHDS-BXUZGUMPSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428228433 529397797 /nfs/dbraw/zinc/39/77/97/529397797.db2.gz VFURYIKRURFBQM-GFCCVEGCSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428228433 529397800 /nfs/dbraw/zinc/39/78/00/529397800.db2.gz VFURYIKRURFBQM-GFCCVEGCSA-N 1 2 264.369 3.025 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000590760034 346872296 /nfs/dbraw/zinc/87/22/96/346872296.db2.gz LSSPJPPKFVAIKN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000590760034 346872298 /nfs/dbraw/zinc/87/22/98/346872298.db2.gz LSSPJPPKFVAIKN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1cc(F)ccc1F ZINC000592097153 346962730 /nfs/dbraw/zinc/96/27/30/346962730.db2.gz DWLJFILDJWXZBM-MRXNPFEDSA-N 1 2 287.313 3.472 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)Cc2ccccc21 ZINC000592086142 346961658 /nfs/dbraw/zinc/96/16/58/346961658.db2.gz OGZJCNUGUFCYNC-UHFFFAOYSA-N 1 2 277.371 3.247 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)Cc2ccccc21 ZINC000592086142 346961661 /nfs/dbraw/zinc/96/16/61/346961661.db2.gz OGZJCNUGUFCYNC-UHFFFAOYSA-N 1 2 277.371 3.247 20 30 CGEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592093930 346962089 /nfs/dbraw/zinc/96/20/89/346962089.db2.gz QHZIBWRHQYLCNQ-CYBMUJFWSA-N 1 2 281.359 3.121 20 30 CGEDLO CC(C)(C#N)CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000592133008 346966255 /nfs/dbraw/zinc/96/62/55/346966255.db2.gz JHOMDHIOHVYTEM-UHFFFAOYSA-N 1 2 293.361 3.027 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@@H](C#N)CC)cc2[nH+]1 ZINC000593424428 347075895 /nfs/dbraw/zinc/07/58/95/347075895.db2.gz GDCYUCHMRGQMRY-LLVKDONJSA-N 1 2 284.363 3.394 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(Cl)n1C)Cc1ccccc1 ZINC000045796788 345030817 /nfs/dbraw/zinc/03/08/17/345030817.db2.gz DSMRHVGLNMXOCO-UHFFFAOYSA-N 1 2 275.783 3.262 20 30 CGEDLO C=CC[N@H+](Cc1ncc(Cl)n1C)Cc1ccccc1 ZINC000045796788 345030819 /nfs/dbraw/zinc/03/08/19/345030819.db2.gz DSMRHVGLNMXOCO-UHFFFAOYSA-N 1 2 275.783 3.262 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(Cc2ccccc2)no1 ZINC000051559845 345091507 /nfs/dbraw/zinc/09/15/07/345091507.db2.gz OXUQXVZDVSGRHH-UHFFFAOYSA-N 1 2 271.364 3.058 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(Cc2ccccc2)no1 ZINC000051559845 345091510 /nfs/dbraw/zinc/09/15/10/345091510.db2.gz OXUQXVZDVSGRHH-UHFFFAOYSA-N 1 2 271.364 3.058 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1occc1C(=O)OC ZINC000055256042 345146155 /nfs/dbraw/zinc/14/61/55/345146155.db2.gz WPNNGKFABPXUAD-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1occc1C(=O)OC ZINC000055256042 345146156 /nfs/dbraw/zinc/14/61/56/345146156.db2.gz WPNNGKFABPXUAD-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000080346714 345672505 /nfs/dbraw/zinc/67/25/05/345672505.db2.gz ZMSMUPMJROXXGN-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000084072110 345729252 /nfs/dbraw/zinc/72/92/52/345729252.db2.gz AMMNBORZENQRMM-GFCCVEGCSA-N 1 2 291.420 3.052 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000084072110 345729254 /nfs/dbraw/zinc/72/92/54/345729254.db2.gz AMMNBORZENQRMM-GFCCVEGCSA-N 1 2 291.420 3.052 20 30 CGEDLO Cc1cccc2c1ncc(C#N)c2NCCCn1cc[nH+]c1 ZINC000091424976 345812844 /nfs/dbraw/zinc/81/28/44/345812844.db2.gz OVZLRTFSRCJPIS-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)s1 ZINC000093100128 345868951 /nfs/dbraw/zinc/86/89/51/345868951.db2.gz WMWQLMSOBTXNKN-UHFFFAOYSA-N 1 2 280.437 3.408 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)s1 ZINC000093100128 345868954 /nfs/dbraw/zinc/86/89/54/345868954.db2.gz WMWQLMSOBTXNKN-UHFFFAOYSA-N 1 2 280.437 3.408 20 30 CGEDLO CC(C)(C#N)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000161799829 346176738 /nfs/dbraw/zinc/17/67/38/346176738.db2.gz JQSKKQNGDNTGSR-UHFFFAOYSA-N 1 2 268.364 3.044 20 30 CGEDLO COc1ccc[nH+]c1N[C@@H](C)c1ccc(C#N)cc1 ZINC000169141288 346191986 /nfs/dbraw/zinc/19/19/86/346191986.db2.gz MPWLBLTZDDQBPS-NSHDSACASA-N 1 2 253.305 3.135 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2F)c(F)c1 ZINC000237778218 346347469 /nfs/dbraw/zinc/34/74/69/346347469.db2.gz DIOKGMDKDIQYAB-UHFFFAOYSA-N 1 2 276.261 3.265 20 30 CGEDLO C=CC[C@H]1CC[C@@H](Nc2cc(CSCCO)cc[nH+]2)C1 ZINC000593611248 347094786 /nfs/dbraw/zinc/09/47/86/347094786.db2.gz MGLONYPGFWFDCE-DZGCQCFKSA-N 1 2 292.448 3.464 20 30 CGEDLO C=CCN(c1nc(N2Cc3ccccc3C2)cc[nH+]1)C1CC1 ZINC000624083290 349966082 /nfs/dbraw/zinc/96/60/82/349966082.db2.gz HPRZDUPEVBMMTL-UHFFFAOYSA-N 1 2 292.386 3.152 20 30 CGEDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000585755089 346729475 /nfs/dbraw/zinc/72/94/75/346729475.db2.gz PUJCJHJAEKIBSD-UHFFFAOYSA-N 1 2 298.390 3.204 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000586767585 346734113 /nfs/dbraw/zinc/73/41/13/346734113.db2.gz IUSMKJHLQHHUES-UHFFFAOYSA-N 1 2 271.339 3.185 20 30 CGEDLO COCc1cc[nH+]c(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000593725679 347108701 /nfs/dbraw/zinc/10/87/01/347108701.db2.gz PWTYCYZIXKRDSM-GFCCVEGCSA-N 1 2 267.332 3.273 20 30 CGEDLO COc1cc(CNc2c[nH+]cc3c2CCCC3)ccc1C#N ZINC000594742770 347215785 /nfs/dbraw/zinc/21/57/85/347215785.db2.gz PTNALZBXYKKZDP-UHFFFAOYSA-N 1 2 293.370 3.453 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000595318566 347292214 /nfs/dbraw/zinc/29/22/14/347292214.db2.gz VMLUDPQYTHBZSZ-LSDHHAIUSA-N 1 2 252.317 3.334 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000595318566 347292217 /nfs/dbraw/zinc/29/22/17/347292217.db2.gz VMLUDPQYTHBZSZ-LSDHHAIUSA-N 1 2 252.317 3.334 20 30 CGEDLO CO[C@H](C[N@H+](CCC#N)Cc1ccccn1)C1CCCC1 ZINC000595343274 347294476 /nfs/dbraw/zinc/29/44/76/347294476.db2.gz ORHVILMUQDQCDB-QGZVFWFLSA-N 1 2 287.407 3.002 20 30 CGEDLO CO[C@H](C[N@@H+](CCC#N)Cc1ccccn1)C1CCCC1 ZINC000595343274 347294477 /nfs/dbraw/zinc/29/44/77/347294477.db2.gz ORHVILMUQDQCDB-QGZVFWFLSA-N 1 2 287.407 3.002 20 30 CGEDLO CC(C)[N@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595349200 347295535 /nfs/dbraw/zinc/29/55/35/347295535.db2.gz AAMWWUGEIFPLRL-UHFFFAOYSA-N 1 2 252.308 3.076 20 30 CGEDLO CC(C)[N@@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595349200 347295538 /nfs/dbraw/zinc/29/55/38/347295538.db2.gz AAMWWUGEIFPLRL-UHFFFAOYSA-N 1 2 252.308 3.076 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000595614764 347327131 /nfs/dbraw/zinc/32/71/31/347327131.db2.gz NRSYCENJZZTEII-AWEZNQCLSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000595614764 347327132 /nfs/dbraw/zinc/32/71/32/347327132.db2.gz NRSYCENJZZTEII-AWEZNQCLSA-N 1 2 298.365 3.137 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000595759230 347351960 /nfs/dbraw/zinc/35/19/60/347351960.db2.gz KHNKCKWEONKCBB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000595759230 347351962 /nfs/dbraw/zinc/35/19/62/347351962.db2.gz KHNKCKWEONKCBB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000595790310 347356101 /nfs/dbraw/zinc/35/61/01/347356101.db2.gz ZIGMUWNFYPRWPC-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000595790310 347356104 /nfs/dbraw/zinc/35/61/04/347356104.db2.gz ZIGMUWNFYPRWPC-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000595510535 347313691 /nfs/dbraw/zinc/31/36/91/347313691.db2.gz LMUREBWBGQVVDG-TVFCKZIOSA-N 1 2 284.403 3.267 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000595510535 347313693 /nfs/dbraw/zinc/31/36/93/347313693.db2.gz LMUREBWBGQVVDG-TVFCKZIOSA-N 1 2 284.403 3.267 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595828768 347361879 /nfs/dbraw/zinc/36/18/79/347361879.db2.gz LRAOYHTXOMMLCQ-UHFFFAOYSA-N 1 2 285.322 3.065 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000595838096 347364173 /nfs/dbraw/zinc/36/41/73/347364173.db2.gz QNKSLWCGBOZLQA-AWEZNQCLSA-N 1 2 298.308 3.363 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000595838096 347364176 /nfs/dbraw/zinc/36/41/76/347364176.db2.gz QNKSLWCGBOZLQA-AWEZNQCLSA-N 1 2 298.308 3.363 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@H](C)CC#N)cc2[nH+]1 ZINC000596971298 347522949 /nfs/dbraw/zinc/52/29/49/347522949.db2.gz VTYGBOOQQOTVCL-LLVKDONJSA-N 1 2 284.363 3.394 20 30 CGEDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597159982 347542647 /nfs/dbraw/zinc/54/26/47/347542647.db2.gz WMWNCVKATNQRRQ-LBPRGKRZSA-N 1 2 296.374 3.126 20 30 CGEDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597159982 347542649 /nfs/dbraw/zinc/54/26/49/347542649.db2.gz WMWNCVKATNQRRQ-LBPRGKRZSA-N 1 2 296.374 3.126 20 30 CGEDLO N#CCC1C[NH+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000597193606 347547656 /nfs/dbraw/zinc/54/76/56/347547656.db2.gz IGARKVMYBOAYQZ-UHFFFAOYSA-N 1 2 255.148 3.339 20 30 CGEDLO C=C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599042357 347709279 /nfs/dbraw/zinc/70/92/79/347709279.db2.gz KWDYMMIHQLRLSN-UHFFFAOYSA-N 1 2 269.304 3.299 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1C#N ZINC000599268457 347730474 /nfs/dbraw/zinc/73/04/74/347730474.db2.gz ZOPFZPUJPJQGTA-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1C#N ZINC000599268457 347730479 /nfs/dbraw/zinc/73/04/79/347730479.db2.gz ZOPFZPUJPJQGTA-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000600619496 347815364 /nfs/dbraw/zinc/81/53/64/347815364.db2.gz YUJHFEGDLLZDKW-VIFPVBQESA-N 1 2 287.310 3.300 20 30 CGEDLO N#Cc1cc(F)ccc1-c1ccc(N2CCSCC2)[nH+]c1 ZINC000600788811 347836176 /nfs/dbraw/zinc/83/61/76/347836176.db2.gz NNVNNVXATSKSPE-UHFFFAOYSA-N 1 2 299.374 3.313 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+]CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000602805571 348031314 /nfs/dbraw/zinc/03/13/14/348031314.db2.gz OOBCKBACCFWMTG-STQMWFEESA-N 1 2 280.412 3.026 20 30 CGEDLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)CC#N ZINC000602861987 348037091 /nfs/dbraw/zinc/03/70/91/348037091.db2.gz KBSLFLJEAXZHAR-VIFPVBQESA-N 1 2 261.350 3.103 20 30 CGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602863123 348038561 /nfs/dbraw/zinc/03/85/61/348038561.db2.gz NYGJJYYDOSUBRO-QWHCGFSZSA-N 1 2 287.407 3.030 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1F)[C@H]1CCC[C@@H]1C#N ZINC000602974384 348048230 /nfs/dbraw/zinc/04/82/30/348048230.db2.gz NMIIDZPDNAHBFD-MFKMUULPSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1F)[C@H]1CCC[C@@H]1C#N ZINC000602974384 348048233 /nfs/dbraw/zinc/04/82/33/348048233.db2.gz NMIIDZPDNAHBFD-MFKMUULPSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCC[C@H]1C#N ZINC000602977749 348049377 /nfs/dbraw/zinc/04/93/77/348049377.db2.gz GPSQAPOQICOATA-HZMBPMFUSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CCC[C@H]1C#N ZINC000602977749 348049380 /nfs/dbraw/zinc/04/93/80/348049380.db2.gz GPSQAPOQICOATA-HZMBPMFUSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977865 348049491 /nfs/dbraw/zinc/04/94/91/348049491.db2.gz ICQOZEPUGMNHLB-ZBFHGGJFSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977865 348049493 /nfs/dbraw/zinc/04/94/93/348049493.db2.gz ICQOZEPUGMNHLB-ZBFHGGJFSA-N 1 2 272.779 3.316 20 30 CGEDLO CCc1cc(N[C@@H](CCC#N)c2ccccc2)nc[nH+]1 ZINC000610969437 348413239 /nfs/dbraw/zinc/41/32/39/348413239.db2.gz HSPFBVRMCQKOMA-HNNXBMFYSA-N 1 2 266.348 3.496 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)C(C)(C)CO1 ZINC000610728795 348399524 /nfs/dbraw/zinc/39/95/24/348399524.db2.gz FCFXGFOASDLCAS-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)C(C)(C)CO1 ZINC000610728795 348399527 /nfs/dbraw/zinc/39/95/27/348399527.db2.gz FCFXGFOASDLCAS-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C#N)o1 ZINC000611262727 348433429 /nfs/dbraw/zinc/43/34/29/348433429.db2.gz IYGTVTNPTKIDDJ-LBPRGKRZSA-N 1 2 268.316 3.107 20 30 CGEDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000611262727 348433434 /nfs/dbraw/zinc/43/34/34/348433434.db2.gz IYGTVTNPTKIDDJ-LBPRGKRZSA-N 1 2 268.316 3.107 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611519693 348457955 /nfs/dbraw/zinc/45/79/55/348457955.db2.gz KQCQIXRQWZUVTO-WDEREUQCSA-N 1 2 254.337 3.002 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000612584885 348530292 /nfs/dbraw/zinc/53/02/92/348530292.db2.gz GHRMKIBJDLKLMT-UHFFFAOYSA-N 1 2 299.330 3.494 20 30 CGEDLO CC(C)(C)c1ccc(C#N)c(NCCCCn2cc[nH+]c2)n1 ZINC000613431195 348602739 /nfs/dbraw/zinc/60/27/39/348602739.db2.gz TZLDLXVGILQPPU-UHFFFAOYSA-N 1 2 297.406 3.340 20 30 CGEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000614924319 348700319 /nfs/dbraw/zinc/70/03/19/348700319.db2.gz IDJPMUYBZVYAJO-CQSZACIVSA-N 1 2 298.308 3.102 20 30 CGEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000614924319 348700321 /nfs/dbraw/zinc/70/03/21/348700321.db2.gz IDJPMUYBZVYAJO-CQSZACIVSA-N 1 2 298.308 3.102 20 30 CGEDLO Cc1cc(N2CC[C@@](F)(C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000615530357 348747647 /nfs/dbraw/zinc/74/76/47/348747647.db2.gz HHJAGPBGJVCTSA-OAHLLOKOSA-N 1 2 273.286 3.124 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000616731768 348876824 /nfs/dbraw/zinc/87/68/24/348876824.db2.gz IZWUIGCSOXJEQZ-QGZVFWFLSA-N 1 2 286.423 3.052 20 30 CGEDLO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000616731768 348876827 /nfs/dbraw/zinc/87/68/27/348876827.db2.gz IZWUIGCSOXJEQZ-QGZVFWFLSA-N 1 2 286.423 3.052 20 30 CGEDLO C=CCCC1(CNC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC000617416466 348958764 /nfs/dbraw/zinc/95/87/64/348958764.db2.gz RMWCWBSNKGTTNM-UHFFFAOYSA-N 1 2 289.423 3.306 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C\c2ncccc2C#N)c[nH+]1 ZINC000352009242 219288408 /nfs/dbraw/zinc/28/84/08/219288408.db2.gz VUOLLYBIOHICBL-VURMDHGXSA-N 1 2 278.359 3.363 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594368 349116135 /nfs/dbraw/zinc/11/61/35/349116135.db2.gz LGCNODUBFHELAY-RISCZKNCSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618594368 349116139 /nfs/dbraw/zinc/11/61/39/349116139.db2.gz LGCNODUBFHELAY-RISCZKNCSA-N 1 2 298.308 3.018 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1(C(F)F)CC1 ZINC000619724698 349279628 /nfs/dbraw/zinc/27/96/28/349279628.db2.gz ZHMYHAVQIFNBFB-CYBMUJFWSA-N 1 2 262.303 3.323 20 30 CGEDLO CC1(C#N)CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625306301 350156356 /nfs/dbraw/zinc/15/63/56/350156356.db2.gz HXTDZXNUMKZOIF-UHFFFAOYSA-N 1 2 299.349 3.115 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000626355216 350298210 /nfs/dbraw/zinc/29/82/10/350298210.db2.gz YCFOIVONYCYUEC-UHFFFAOYSA-N 1 2 286.379 3.367 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC000630624700 350862679 /nfs/dbraw/zinc/86/26/79/350862679.db2.gz JCOBORHMUGVPAB-UHFFFAOYSA-N 1 2 255.321 3.166 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc2ccccc2c[nH+]1 ZINC000631309251 351022070 /nfs/dbraw/zinc/02/20/70/351022070.db2.gz MOXJWMYWLWAZLB-GJZGRUSLSA-N 1 2 254.333 3.238 20 30 CGEDLO C=CCCC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000631680672 351117856 /nfs/dbraw/zinc/11/78/56/351117856.db2.gz QLJMQNIVDHEVNP-OAHLLOKOSA-N 1 2 284.407 3.476 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)C1CC1 ZINC000271526816 191192810 /nfs/dbraw/zinc/19/28/10/191192810.db2.gz WQLKEUDWTJQZSH-UHFFFAOYSA-N 1 2 283.375 3.119 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2C)no1)C1CC1 ZINC000271526816 191192813 /nfs/dbraw/zinc/19/28/13/191192813.db2.gz WQLKEUDWTJQZSH-UHFFFAOYSA-N 1 2 283.375 3.119 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC000271653805 191260893 /nfs/dbraw/zinc/26/08/93/191260893.db2.gz BQVDFIPCOWPQJL-HNNXBMFYSA-N 1 2 266.344 3.406 20 30 CGEDLO C=CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153235581 188072412 /nfs/dbraw/zinc/07/24/12/188072412.db2.gz AKCWZBISWJDTFA-UHFFFAOYSA-N 1 2 299.245 3.340 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)s1 ZINC000368270695 234296136 /nfs/dbraw/zinc/29/61/36/234296136.db2.gz AMSUMHSQUAVNKF-LBPRGKRZSA-N 1 2 292.310 3.121 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000336449876 213316580 /nfs/dbraw/zinc/31/65/80/213316580.db2.gz RRLKOPSGZLKCFG-NSHDSACASA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000336449876 213316582 /nfs/dbraw/zinc/31/65/82/213316582.db2.gz RRLKOPSGZLKCFG-NSHDSACASA-N 1 2 275.402 3.413 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336446541 213310656 /nfs/dbraw/zinc/31/06/56/213310656.db2.gz YCNVPHNDJMWEHA-PSASIEDQSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000336446541 213310658 /nfs/dbraw/zinc/31/06/58/213310658.db2.gz YCNVPHNDJMWEHA-PSASIEDQSA-N 1 2 289.326 3.178 20 30 CGEDLO Cc1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000271862075 191373616 /nfs/dbraw/zinc/37/36/16/191373616.db2.gz ZQXRBYSVUQWFEV-UHFFFAOYSA-N 1 2 269.373 3.102 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1F ZINC000192118424 283143083 /nfs/dbraw/zinc/14/30/83/283143083.db2.gz YNUVKPUPZSHBES-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1F ZINC000192118424 283143088 /nfs/dbraw/zinc/14/30/88/283143088.db2.gz YNUVKPUPZSHBES-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3c(F)cccc3C2)c1F ZINC000340946915 283205720 /nfs/dbraw/zinc/20/57/20/283205720.db2.gz CFUVZCDWMUQALU-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(F)cccc3C2)c1F ZINC000340946915 283205722 /nfs/dbraw/zinc/20/57/22/283205722.db2.gz CFUVZCDWMUQALU-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=CCCCC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000175684644 188961769 /nfs/dbraw/zinc/96/17/69/188961769.db2.gz FNRRLCHCGCUVSU-AWEZNQCLSA-N 1 2 296.361 3.040 20 30 CGEDLO CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425243755 236223590 /nfs/dbraw/zinc/22/35/90/236223590.db2.gz GCBDSMUSQQXVRA-PXAZEXFGSA-N 1 2 299.349 3.011 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCCCc2[nH+]cccc2C)n1 ZINC000294868258 199222157 /nfs/dbraw/zinc/22/21/57/199222157.db2.gz AVZCLYMMHKHTSI-UHFFFAOYSA-N 1 2 280.375 3.318 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1nc(Cl)c(C#N)s1 ZINC000294936594 199258805 /nfs/dbraw/zinc/25/88/05/199258805.db2.gz HUNMAAHYCXLAKF-UHFFFAOYSA-N 1 2 292.795 3.416 20 30 CGEDLO CC(C)c1nnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000294939861 199261127 /nfs/dbraw/zinc/26/11/27/199261127.db2.gz IDYACXDTSZXRIU-UHFFFAOYSA-N 1 2 298.415 3.312 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3cc(C#N)ccc3[N+](=O)[O-])ccc21 ZINC000341583287 216020632 /nfs/dbraw/zinc/02/06/32/216020632.db2.gz JYAQXSOUODRUGQ-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO N#Cc1ccccc1OCc1c[nH+]cn1Cc1ccccc1 ZINC000437619982 237319475 /nfs/dbraw/zinc/31/94/75/237319475.db2.gz KMHNNIAZZXEEJJ-UHFFFAOYSA-N 1 2 289.338 3.382 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000119972216 370728068 /nfs/dbraw/zinc/72/80/68/370728068.db2.gz LYOZTWHSTBXKGZ-ZDUSSCGKSA-N 1 2 264.394 3.061 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000119972216 370728071 /nfs/dbraw/zinc/72/80/71/370728071.db2.gz LYOZTWHSTBXKGZ-ZDUSSCGKSA-N 1 2 264.394 3.061 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000459727011 242195091 /nfs/dbraw/zinc/19/50/91/242195091.db2.gz GYDFHDSPEPDELH-UHFFFAOYSA-N 1 2 296.345 3.482 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000459727011 242195098 /nfs/dbraw/zinc/19/50/98/242195098.db2.gz GYDFHDSPEPDELH-UHFFFAOYSA-N 1 2 296.345 3.482 20 30 CGEDLO CC(C)c1noc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000026331430 368857137 /nfs/dbraw/zinc/85/71/37/368857137.db2.gz CLDTWJCCIVRTRL-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1noc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000026331430 368857138 /nfs/dbraw/zinc/85/71/38/368857138.db2.gz CLDTWJCCIVRTRL-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1F ZINC000035126433 368998695 /nfs/dbraw/zinc/99/86/95/368998695.db2.gz JKSSXEJETWZNDI-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1F ZINC000035126433 368998702 /nfs/dbraw/zinc/99/87/02/368998702.db2.gz JKSSXEJETWZNDI-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO CCC[N@H+](Cc1nc(C(C)C)no1)Cc1ccc(C#N)cc1 ZINC000047740082 369326750 /nfs/dbraw/zinc/32/67/50/369326750.db2.gz AGCIUZYYIXPXBX-UHFFFAOYSA-N 1 2 298.390 3.477 20 30 CGEDLO CCC[N@@H+](Cc1nc(C(C)C)no1)Cc1ccc(C#N)cc1 ZINC000047740082 369326754 /nfs/dbraw/zinc/32/67/54/369326754.db2.gz AGCIUZYYIXPXBX-UHFFFAOYSA-N 1 2 298.390 3.477 20 30 CGEDLO CC[N@@H+](Cc1cnc(C(C)C)s1)C[C@@H](C)C#N ZINC000091982466 370084576 /nfs/dbraw/zinc/08/45/76/370084576.db2.gz CAVMMBYFBMFGRF-NSHDSACASA-N 1 2 251.399 3.248 20 30 CGEDLO CC[N@H+](Cc1cnc(C(C)C)s1)C[C@@H](C)C#N ZINC000091982466 370084580 /nfs/dbraw/zinc/08/45/80/370084580.db2.gz CAVMMBYFBMFGRF-NSHDSACASA-N 1 2 251.399 3.248 20 30 CGEDLO COC(=O)c1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC000093100765 370109827 /nfs/dbraw/zinc/10/98/27/370109827.db2.gz UQADWSFVKHFXTC-UHFFFAOYSA-N 1 2 288.391 3.235 20 30 CGEDLO COC(=O)c1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC000093100765 370109831 /nfs/dbraw/zinc/10/98/31/370109831.db2.gz UQADWSFVKHFXTC-UHFFFAOYSA-N 1 2 288.391 3.235 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cs1 ZINC000118973455 370633059 /nfs/dbraw/zinc/63/30/59/370633059.db2.gz SRUNVTDJLWGWGN-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)cs1 ZINC000118973455 370633064 /nfs/dbraw/zinc/63/30/64/370633064.db2.gz SRUNVTDJLWGWGN-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO C=CCC[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129689028 370997688 /nfs/dbraw/zinc/99/76/88/370997688.db2.gz HMRCEOJGTXGZNF-GFCCVEGCSA-N 1 2 296.296 3.079 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/[C@H]1CC[C@H](O)CC1 ZINC000133110051 371227541 /nfs/dbraw/zinc/22/75/41/371227541.db2.gz ONCZOPSCRYYPTL-NLTUMJQJSA-N 1 2 269.344 3.268 20 30 CGEDLO Cc1cccc(CCCNc2ccc(C#N)cc2[N+](=O)[O-])[nH+]1 ZINC000286700304 371541390 /nfs/dbraw/zinc/54/13/90/371541390.db2.gz YKUILDXMVCITPM-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C=CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000425237356 372118278 /nfs/dbraw/zinc/11/82/78/372118278.db2.gz RVYNDFUFWOBZFF-INIZCTEOSA-N 1 2 295.386 3.109 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000428870608 372275418 /nfs/dbraw/zinc/27/54/18/372275418.db2.gz GDKPSULKKSRCSP-UHFFFAOYSA-N 1 2 284.281 3.487 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000428870608 372275423 /nfs/dbraw/zinc/27/54/23/372275423.db2.gz GDKPSULKKSRCSP-UHFFFAOYSA-N 1 2 284.281 3.487 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC000162241424 372384169 /nfs/dbraw/zinc/38/41/69/372384169.db2.gz TWBQFWXSEUXOSF-UHFFFAOYSA-N 1 2 298.371 3.309 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)cc1CC ZINC000430105463 372384269 /nfs/dbraw/zinc/38/42/69/372384269.db2.gz LPADGGXBAPCDPY-UHFFFAOYSA-N 1 2 258.365 3.159 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)cc1CC ZINC000430105463 372384272 /nfs/dbraw/zinc/38/42/72/372384272.db2.gz LPADGGXBAPCDPY-UHFFFAOYSA-N 1 2 258.365 3.159 20 30 CGEDLO C[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC000162868020 372429614 /nfs/dbraw/zinc/42/96/14/372429614.db2.gz WBLWOZWSTUXJKQ-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC000162868020 372429622 /nfs/dbraw/zinc/42/96/22/372429622.db2.gz WBLWOZWSTUXJKQ-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)CC(C)(C)C#N ZINC000433318662 372592074 /nfs/dbraw/zinc/59/20/74/372592074.db2.gz OXFFORDRUAPVQM-UHFFFAOYSA-N 1 2 260.768 3.173 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)CC(C)(C)C#N ZINC000433318662 372592083 /nfs/dbraw/zinc/59/20/83/372592083.db2.gz OXFFORDRUAPVQM-UHFFFAOYSA-N 1 2 260.768 3.173 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nccn1CC ZINC000295238100 372713395 /nfs/dbraw/zinc/71/33/95/372713395.db2.gz OUFMWSPAKNORJK-CQSZACIVSA-N 1 2 285.391 3.319 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000171373165 372745083 /nfs/dbraw/zinc/74/50/83/372745083.db2.gz VEJYKLWTLDYRAI-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000171373165 372745085 /nfs/dbraw/zinc/74/50/85/372745085.db2.gz VEJYKLWTLDYRAI-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000171380710 372747216 /nfs/dbraw/zinc/74/72/16/372747216.db2.gz XVJBLYXIPHOTHI-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000171380710 372747221 /nfs/dbraw/zinc/74/72/21/372747221.db2.gz XVJBLYXIPHOTHI-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2cc(C#N)cs2)cs1 ZINC000344711693 217284504 /nfs/dbraw/zinc/28/45/04/217284504.db2.gz NBUABCUXGSESAV-SECBINFHSA-N 1 2 293.417 3.073 20 30 CGEDLO C=C[C@H](CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1)c1ccccc1 ZINC000442794237 373084964 /nfs/dbraw/zinc/08/49/64/373084964.db2.gz PTHJDCXHSYNNSW-HIFRSBDPSA-N 1 2 283.375 3.337 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000177191137 373659896 /nfs/dbraw/zinc/65/98/96/373659896.db2.gz YOZVDJHXEUJCSJ-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000177191137 373659898 /nfs/dbraw/zinc/65/98/98/373659898.db2.gz YOZVDJHXEUJCSJ-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C=CCC1(C(=O)NCCNc2cccc[nH+]2)CCCCC1 ZINC000449247917 373674157 /nfs/dbraw/zinc/67/41/57/373674157.db2.gz HQUXADGHWHIIBA-UHFFFAOYSA-N 1 2 287.407 3.136 20 30 CGEDLO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(=O)OCC ZINC000449654732 373838070 /nfs/dbraw/zinc/83/80/70/373838070.db2.gz FMCLUMWCQMMCQF-BBWFWOEESA-N 1 2 287.403 3.278 20 30 CGEDLO N#Cc1cccc(C#N)c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000302492876 373879306 /nfs/dbraw/zinc/87/93/06/373879306.db2.gz ZSOLLHSSTFMTHY-UHFFFAOYSA-N 1 2 299.337 3.228 20 30 CGEDLO COc1cccc2c1cc[nH+]c2N1CCC(C)(C#N)CC1 ZINC000450433727 374125501 /nfs/dbraw/zinc/12/55/01/374125501.db2.gz LHDQSLLDNIZBBV-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000450463403 374147190 /nfs/dbraw/zinc/14/71/90/374147190.db2.gz OTWRCEQDKQXTKV-MAUKXSAKSA-N 1 2 298.386 3.160 20 30 CGEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000450463403 374147194 /nfs/dbraw/zinc/14/71/94/374147194.db2.gz OTWRCEQDKQXTKV-MAUKXSAKSA-N 1 2 298.386 3.160 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2nccs2)c1 ZINC000182168589 374227643 /nfs/dbraw/zinc/22/76/43/374227643.db2.gz SZTNXIMODIOPRW-KXUVPBGPSA-N 1 2 276.361 3.080 20 30 CGEDLO Cc1cc(N2CCC[C@H](CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335116592 375145450 /nfs/dbraw/zinc/14/54/50/375145450.db2.gz LIVINHTWTKZJJI-LLVKDONJSA-N 1 2 283.297 3.431 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1)Cc1ccc(F)cc1F ZINC000483533622 375183294 /nfs/dbraw/zinc/18/32/94/375183294.db2.gz SAAVTOAPXHYGTP-UHFFFAOYSA-N 1 2 271.310 3.448 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(F)cc1F ZINC000483533622 375183299 /nfs/dbraw/zinc/18/32/99/375183299.db2.gz SAAVTOAPXHYGTP-UHFFFAOYSA-N 1 2 271.310 3.448 20 30 CGEDLO Fc1ccc2c(c1F)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000483974378 375184666 /nfs/dbraw/zinc/18/46/66/375184666.db2.gz GUHSSYBVGMVPQS-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1ccc2c(c1F)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000483974378 375184670 /nfs/dbraw/zinc/18/46/70/375184670.db2.gz GUHSSYBVGMVPQS-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Cn1c2c(cccc2F)[nH+]c1N1CCC(CCC#N)CC1 ZINC000335382144 375266990 /nfs/dbraw/zinc/26/69/90/375266990.db2.gz YXFYZEHQOAZUNQ-UHFFFAOYSA-N 1 2 286.354 3.233 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000491758037 375340905 /nfs/dbraw/zinc/34/09/05/375340905.db2.gz GQQQKIAUEHALBM-JTQLQIEISA-N 1 2 262.403 3.325 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000491758037 375340911 /nfs/dbraw/zinc/34/09/11/375340911.db2.gz GQQQKIAUEHALBM-JTQLQIEISA-N 1 2 262.403 3.325 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000192227416 375714423 /nfs/dbraw/zinc/71/44/23/375714423.db2.gz RWBOIAIMZIOLAW-CQSZACIVSA-N 1 2 272.392 3.010 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000192227416 375714428 /nfs/dbraw/zinc/71/44/28/375714428.db2.gz RWBOIAIMZIOLAW-CQSZACIVSA-N 1 2 272.392 3.010 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cncn1Cc1ccccc1 ZINC000525833692 375886167 /nfs/dbraw/zinc/88/61/67/375886167.db2.gz OSWQJTVXXLNJMQ-UHFFFAOYSA-N 1 2 267.376 3.105 20 30 CGEDLO C=CCN(CC=C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000525833692 375886170 /nfs/dbraw/zinc/88/61/70/375886170.db2.gz OSWQJTVXXLNJMQ-UHFFFAOYSA-N 1 2 267.376 3.105 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000336856162 376013129 /nfs/dbraw/zinc/01/31/29/376013129.db2.gz KRKHOBBEXLFIMF-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000336856162 376013135 /nfs/dbraw/zinc/01/31/35/376013135.db2.gz KRKHOBBEXLFIMF-QZTJIDSGSA-N 1 2 292.386 3.057 20 30 CGEDLO C=CCCc1ccccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000337589558 376230490 /nfs/dbraw/zinc/23/04/90/376230490.db2.gz GTQLROPZOWSOTC-AWEZNQCLSA-N 1 2 298.390 3.212 20 30 CGEDLO CCC[C@H](C)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000538308406 376233211 /nfs/dbraw/zinc/23/32/11/376233211.db2.gz OQZNJKDTKTVNMO-WMZOPIPTSA-N 1 2 285.435 3.133 20 30 CGEDLO CCC[C@H](C)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000538308406 376233218 /nfs/dbraw/zinc/23/32/18/376233218.db2.gz OQZNJKDTKTVNMO-WMZOPIPTSA-N 1 2 285.435 3.133 20 30 CGEDLO C=CC[N@@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000538996458 376285014 /nfs/dbraw/zinc/28/50/14/376285014.db2.gz BEFLZCOAQFWLCA-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CC[N@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC000538996458 376285016 /nfs/dbraw/zinc/28/50/16/376285016.db2.gz BEFLZCOAQFWLCA-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C(CC)C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000543540943 376653319 /nfs/dbraw/zinc/65/33/19/376653319.db2.gz AEBKSUQLNWAVPS-CYBMUJFWSA-N 1 2 271.364 3.277 20 30 CGEDLO CC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C[C@H](C)C#N ZINC000245544844 376849099 /nfs/dbraw/zinc/84/90/99/376849099.db2.gz SPQLPGZNUOPDLE-OLZOCXBDSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C[C@H](C)C#N ZINC000245544844 376849103 /nfs/dbraw/zinc/84/91/03/376849103.db2.gz SPQLPGZNUOPDLE-OLZOCXBDSA-N 1 2 288.391 3.000 20 30 CGEDLO C=CCC(C)(C)c1noc(C[NH+]2CCC(C)CC2)n1 ZINC000340834601 377277411 /nfs/dbraw/zinc/27/74/11/377277411.db2.gz YQIJCAWZBPBAMX-UHFFFAOYSA-N 1 2 263.385 3.155 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000564036318 377473594 /nfs/dbraw/zinc/47/35/94/377473594.db2.gz BCZZHLWGLKWTAJ-SWLSCSKDSA-N 1 2 266.348 3.191 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000564599298 377477308 /nfs/dbraw/zinc/47/73/08/377477308.db2.gz KFZJHVQJDBYMCR-SNVBAGLBSA-N 1 2 261.350 3.185 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000249917586 377542307 /nfs/dbraw/zinc/54/23/07/377542307.db2.gz XYASIRPGJTZDQM-HUUCEWRRSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000249917586 377542310 /nfs/dbraw/zinc/54/23/10/377542310.db2.gz XYASIRPGJTZDQM-HUUCEWRRSA-N 1 2 287.407 3.112 20 30 CGEDLO CC(C)COc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000342674236 377726047 /nfs/dbraw/zinc/72/60/47/377726047.db2.gz KEUTYQOYODFDJJ-CQSZACIVSA-N 1 2 260.381 3.313 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000342674236 377726051 /nfs/dbraw/zinc/72/60/51/377726051.db2.gz KEUTYQOYODFDJJ-CQSZACIVSA-N 1 2 260.381 3.313 20 30 CGEDLO CCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1F ZINC000574952117 377730478 /nfs/dbraw/zinc/73/04/78/377730478.db2.gz ANYWMSGTUGXIKW-UHFFFAOYSA-N 1 2 285.322 3.298 20 30 CGEDLO N#Cc1cc(Br)ccc1C[NH+]1CCCCC1 ZINC000259987170 377806404 /nfs/dbraw/zinc/80/64/04/377806404.db2.gz ABBXCCWAJTUXRC-UHFFFAOYSA-N 1 2 279.181 3.307 20 30 CGEDLO C=C1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)CC1 ZINC000264551180 377988033 /nfs/dbraw/zinc/98/80/33/377988033.db2.gz IRAGYXASTQIECO-UHFFFAOYSA-N 1 2 280.375 3.257 20 30 CGEDLO CCC1(C/[NH+]=C/c2cc(OC)ccc2O)CCOCC1 ZINC000266685115 378024672 /nfs/dbraw/zinc/02/46/72/378024672.db2.gz BUELHGRFEFUMPQ-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1OC(F)F ZINC000271111503 378454034 /nfs/dbraw/zinc/45/40/34/378454034.db2.gz BSJZUKYQRTVTGZ-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CCOc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1OC(F)F ZINC000271111503 378454036 /nfs/dbraw/zinc/45/40/36/378454036.db2.gz BSJZUKYQRTVTGZ-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CCCCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000271139944 378460714 /nfs/dbraw/zinc/46/07/14/378460714.db2.gz UQXAAJDHDUUXQT-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000271139944 378460719 /nfs/dbraw/zinc/46/07/19/378460719.db2.gz UQXAAJDHDUUXQT-AWEZNQCLSA-N 1 2 290.407 3.466 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)s1 ZINC000272816347 378709634 /nfs/dbraw/zinc/70/96/34/378709634.db2.gz BMXFNDCPJNRHIN-GFCCVEGCSA-N 1 2 284.384 3.403 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000272816347 378709642 /nfs/dbraw/zinc/70/96/42/378709642.db2.gz BMXFNDCPJNRHIN-GFCCVEGCSA-N 1 2 284.384 3.403 20 30 CGEDLO C=CCOCCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000348033821 378759473 /nfs/dbraw/zinc/75/94/73/378759473.db2.gz MXVOBQFLSXOMNV-INIZCTEOSA-N 1 2 295.810 3.306 20 30 CGEDLO C=CCOCCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000348033821 378759478 /nfs/dbraw/zinc/75/94/78/378759478.db2.gz MXVOBQFLSXOMNV-INIZCTEOSA-N 1 2 295.810 3.306 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111898 379036230 /nfs/dbraw/zinc/03/62/30/379036230.db2.gz KQIINMAMSNSBQY-CABCVRRESA-N 1 2 274.412 3.467 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111898 379036237 /nfs/dbraw/zinc/03/62/37/379036237.db2.gz KQIINMAMSNSBQY-CABCVRRESA-N 1 2 274.412 3.467 20 30 CGEDLO COC(=O)[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cccc(C#N)c1 ZINC000277532263 379184340 /nfs/dbraw/zinc/18/43/40/379184340.db2.gz PACDLAZOIFZUFJ-INIZCTEOSA-N 1 2 298.386 3.085 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000351095997 379642847 /nfs/dbraw/zinc/64/28/47/379642847.db2.gz FVPAYVOMRIPQKC-UHFFFAOYSA-N 1 2 291.192 3.471 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000351095997 379642858 /nfs/dbraw/zinc/64/28/58/379642858.db2.gz FVPAYVOMRIPQKC-UHFFFAOYSA-N 1 2 291.192 3.471 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281531658 379837634 /nfs/dbraw/zinc/83/76/34/379837634.db2.gz YSSZPTJLWDAGLV-GFCCVEGCSA-N 1 2 272.352 3.119 20 30 CGEDLO C=CC[C@H](CC)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281531662 379837850 /nfs/dbraw/zinc/83/78/50/379837850.db2.gz YSSZPTJLWDAGLV-LBPRGKRZSA-N 1 2 272.352 3.119 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000352823918 379982961 /nfs/dbraw/zinc/98/29/61/379982961.db2.gz PCXPHLXUCIKFLL-GOEBONIOSA-N 1 2 299.399 3.025 20 30 CGEDLO Cc1c[nH+]cc(NC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000285915679 380152731 /nfs/dbraw/zinc/15/27/31/380152731.db2.gz CDPPREOTHUSGRH-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO CCc1cc(N)nc(S[C@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000279053909 194264830 /nfs/dbraw/zinc/26/48/30/194264830.db2.gz HSEOOYHMUTXNMC-SNVBAGLBSA-N 1 2 284.388 3.346 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1CC1 ZINC000355700379 380754620 /nfs/dbraw/zinc/75/46/20/380754620.db2.gz COXULIHPUAWEAU-JTQLQIEISA-N 1 2 298.839 3.057 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1CC1 ZINC000355700379 380754625 /nfs/dbraw/zinc/75/46/25/380754625.db2.gz COXULIHPUAWEAU-JTQLQIEISA-N 1 2 298.839 3.057 20 30 CGEDLO COc1cc2c(NCC3(C#N)CCC3)cc[nH+]c2cc1F ZINC000419022780 380764472 /nfs/dbraw/zinc/76/44/72/380764472.db2.gz NPJGIHPILIRFKC-UHFFFAOYSA-N 1 2 285.322 3.488 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486473 380801786 /nfs/dbraw/zinc/80/17/86/380801786.db2.gz YDBMMDMISZWBSY-HIFRSBDPSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486473 380801789 /nfs/dbraw/zinc/80/17/89/380801789.db2.gz YDBMMDMISZWBSY-HIFRSBDPSA-N 1 2 287.407 3.112 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCc2ccccc2C1 ZINC000362313657 381939612 /nfs/dbraw/zinc/93/96/12/381939612.db2.gz VXQHSEVSAOSOMY-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCc2ccccc2C1 ZINC000362313657 381939619 /nfs/dbraw/zinc/93/96/19/381939619.db2.gz VXQHSEVSAOSOMY-UHFFFAOYSA-N 1 2 266.319 3.256 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cs1 ZINC000362923835 382150851 /nfs/dbraw/zinc/15/08/51/382150851.db2.gz LZOGGZDNURQWKJ-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)cs1 ZINC000362923835 382150855 /nfs/dbraw/zinc/15/08/55/382150855.db2.gz LZOGGZDNURQWKJ-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000227353162 262388655 /nfs/dbraw/zinc/38/86/55/262388655.db2.gz JRRSZLPTIIHBIG-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO COc1ccc(C2([NH2+]Cc3cccc(F)c3C#N)CC2)cc1 ZINC000428328733 533427850 /nfs/dbraw/zinc/42/78/50/533427850.db2.gz JCENJVKTLNHCLY-UHFFFAOYSA-N 1 2 296.345 3.485 20 30 CGEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)cs1 ZINC000189931061 130040331 /nfs/dbraw/zinc/04/03/31/130040331.db2.gz HVOCQMBMXLZFAV-CQSZACIVSA-N 1 2 273.361 3.253 20 30 CGEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cs1 ZINC000189931061 130040335 /nfs/dbraw/zinc/04/03/35/130040335.db2.gz HVOCQMBMXLZFAV-CQSZACIVSA-N 1 2 273.361 3.253 20 30 CGEDLO C=C(C)C[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000191441591 130236718 /nfs/dbraw/zinc/23/67/18/130236718.db2.gz OANXMTAOXIBGQL-LBPRGKRZSA-N 1 2 280.393 3.033 20 30 CGEDLO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000191441591 130236720 /nfs/dbraw/zinc/23/67/20/130236720.db2.gz OANXMTAOXIBGQL-LBPRGKRZSA-N 1 2 280.393 3.033 20 30 CGEDLO C=CC[N@H+](Cc1cncs1)Cc1cccc(C#N)c1 ZINC000092504295 392232539 /nfs/dbraw/zinc/23/25/39/392232539.db2.gz YVFOGWDDPJBSOE-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO C=CC[N@@H+](Cc1cncs1)Cc1cccc(C#N)c1 ZINC000092504295 392232543 /nfs/dbraw/zinc/23/25/43/392232543.db2.gz YVFOGWDDPJBSOE-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO C#CC[C@H]([NH2+][C@H](C)c1cc(C)on1)c1ccccc1 ZINC000285042818 392316896 /nfs/dbraw/zinc/31/68/96/392316896.db2.gz IDLQUVVGYKBSHS-HIFRSBDPSA-N 1 2 254.333 3.398 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352490284 299627673 /nfs/dbraw/zinc/62/76/73/299627673.db2.gz HZINISZZISDXCO-SNVBAGLBSA-N 1 2 268.282 3.353 20 30 CGEDLO C[C@@H](C#N)CSc1ccccc1NCc1[nH+]ccn1C ZINC000124428047 392434190 /nfs/dbraw/zinc/43/41/90/392434190.db2.gz CABSZHKLSSSMQO-LBPRGKRZSA-N 1 2 286.404 3.284 20 30 CGEDLO C=CCCCN(C)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000301357795 392588264 /nfs/dbraw/zinc/58/82/64/392588264.db2.gz ZCHBIRMJJNFZRC-UHFFFAOYSA-N 1 2 293.374 3.218 20 30 CGEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CC12CCCCC2 ZINC000329511399 392685435 /nfs/dbraw/zinc/68/54/35/392685435.db2.gz KNTDELRDZQRROV-ZDUSSCGKSA-N 1 2 284.363 3.192 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCC(C)(C)C#N)o1 ZINC000174866960 392647660 /nfs/dbraw/zinc/64/76/60/392647660.db2.gz BXEZSRJCTNZBEH-CQSZACIVSA-N 1 2 276.380 3.291 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@H+]2CCCC(C)(C)C#N)o1 ZINC000174866960 392647661 /nfs/dbraw/zinc/64/76/61/392647661.db2.gz BXEZSRJCTNZBEH-CQSZACIVSA-N 1 2 276.380 3.291 20 30 CGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC000335671502 392805995 /nfs/dbraw/zinc/80/59/95/392805995.db2.gz FTELBJOEZQRDAR-HNNXBMFYSA-N 1 2 297.383 3.254 20 30 CGEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC000335671502 392806000 /nfs/dbraw/zinc/80/60/00/392806000.db2.gz FTELBJOEZQRDAR-HNNXBMFYSA-N 1 2 297.383 3.254 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000219511067 393001980 /nfs/dbraw/zinc/00/19/80/393001980.db2.gz QZSHJJCYMQZOTK-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000219511067 393001986 /nfs/dbraw/zinc/00/19/86/393001986.db2.gz QZSHJJCYMQZOTK-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000351179884 393165697 /nfs/dbraw/zinc/16/56/97/393165697.db2.gz FNFTYDHPEHYQRW-IAQYHMDHSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000351179884 393165702 /nfs/dbraw/zinc/16/57/02/393165702.db2.gz FNFTYDHPEHYQRW-IAQYHMDHSA-N 1 2 280.318 3.030 20 30 CGEDLO C=CCOc1ccccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355290621 393294996 /nfs/dbraw/zinc/29/49/96/393294996.db2.gz NAVXYZXZSPXGRR-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000649423145 393419389 /nfs/dbraw/zinc/41/93/89/393419389.db2.gz VHWZTWXDNFNBAG-KRWDZBQOSA-N 1 2 270.376 3.275 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCCC(=O)c2ccccc2)C1 ZINC000649423145 393419393 /nfs/dbraw/zinc/41/93/93/393419393.db2.gz VHWZTWXDNFNBAG-KRWDZBQOSA-N 1 2 270.376 3.275 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H](CC)O1 ZINC000420966355 393561807 /nfs/dbraw/zinc/56/18/07/393561807.db2.gz ZLZINLQWZPWKTK-IYBDPMFKSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@H](CC)O1 ZINC000420966355 393561812 /nfs/dbraw/zinc/56/18/12/393561812.db2.gz ZLZINLQWZPWKTK-IYBDPMFKSA-N 1 2 276.355 3.087 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccnc1Cl)c1ccc(F)cc1 ZINC000491718562 393697666 /nfs/dbraw/zinc/69/76/66/393697666.db2.gz VGJHINRREVKOQC-AWEZNQCLSA-N 1 2 274.726 3.338 20 30 CGEDLO C=CCc1cc(C[NH2+][C@H]2CCCC2(F)F)cc(OC)c1O ZINC000673618629 543248591 /nfs/dbraw/zinc/24/85/91/543248591.db2.gz WHWVKCDGSSPOHR-AWEZNQCLSA-N 1 2 297.345 3.407 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000045914438 397627245 /nfs/dbraw/zinc/62/72/45/397627245.db2.gz VTUHCABFTHAJIO-UHFFFAOYSA-N 1 2 272.392 3.423 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000339068127 287040371 /nfs/dbraw/zinc/04/03/71/287040371.db2.gz ONTPTBCPHXHCQM-LLVKDONJSA-N 1 2 297.314 3.023 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000121260175 287195551 /nfs/dbraw/zinc/19/55/51/287195551.db2.gz NYRJNMATWVNENF-IBGZPJMESA-N 1 2 292.382 3.306 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000121260175 287195553 /nfs/dbraw/zinc/19/55/53/287195553.db2.gz NYRJNMATWVNENF-IBGZPJMESA-N 1 2 292.382 3.306 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000044413368 175172459 /nfs/dbraw/zinc/17/24/59/175172459.db2.gz BGYSBCSUXFBWKY-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(Br)c1 ZINC000044413368 175172461 /nfs/dbraw/zinc/17/24/61/175172461.db2.gz BGYSBCSUXFBWKY-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679223892 543602865 /nfs/dbraw/zinc/60/28/65/543602865.db2.gz MJCMZSZLQPJVOE-DOMZBBRYSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1F ZINC000679223892 543602868 /nfs/dbraw/zinc/60/28/68/543602868.db2.gz MJCMZSZLQPJVOE-DOMZBBRYSA-N 1 2 265.759 3.371 20 30 CGEDLO C=CCOCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000679471287 543638312 /nfs/dbraw/zinc/63/83/12/543638312.db2.gz DDHMPTYBEUVANI-UHFFFAOYSA-N 1 2 260.312 3.297 20 30 CGEDLO C=CCOCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000679576793 543648836 /nfs/dbraw/zinc/64/88/36/543648836.db2.gz ULXVQZNTYNJRMR-CQSZACIVSA-N 1 2 269.335 3.045 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000680424522 543710266 /nfs/dbraw/zinc/71/02/66/543710266.db2.gz BMCPFRYMZZIVEY-OLZOCXBDSA-N 1 2 299.374 3.198 20 30 CGEDLO C=C(C)CC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000681400207 543786397 /nfs/dbraw/zinc/78/63/97/543786397.db2.gz MOHJJRAICZZPCG-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(C)CC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000681400207 543786398 /nfs/dbraw/zinc/78/63/98/543786398.db2.gz MOHJJRAICZZPCG-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO N#CC1(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000347122884 226033761 /nfs/dbraw/zinc/03/37/61/226033761.db2.gz HTFKHEROCSKJDX-UHFFFAOYSA-N 1 2 288.366 3.110 20 30 CGEDLO N#CC1(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000347122884 226033765 /nfs/dbraw/zinc/03/37/65/226033765.db2.gz HTFKHEROCSKJDX-UHFFFAOYSA-N 1 2 288.366 3.110 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2cc3ccccc3o2)nn1 ZINC000653563452 419050107 /nfs/dbraw/zinc/05/01/07/419050107.db2.gz NVVXPLRMSOEYMT-UHFFFAOYSA-N 1 2 296.374 3.232 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cc3ccccc3o2)nn1 ZINC000653563452 419050110 /nfs/dbraw/zinc/05/01/10/419050110.db2.gz NVVXPLRMSOEYMT-UHFFFAOYSA-N 1 2 296.374 3.232 20 30 CGEDLO C=CCC1(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CCCC1 ZINC000665047084 419045471 /nfs/dbraw/zinc/04/54/71/419045471.db2.gz HIIPYWFPHNYOOY-QWHCGFSZSA-N 1 2 288.395 3.077 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661465521 419263476 /nfs/dbraw/zinc/26/34/76/419263476.db2.gz HEPIRGRBTKXPJA-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1COC2(CCC2)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661465521 419263478 /nfs/dbraw/zinc/26/34/78/419263478.db2.gz HEPIRGRBTKXPJA-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000666493324 419223160 /nfs/dbraw/zinc/22/31/60/419223160.db2.gz XLJMXPLICZUDAL-ZFWWWQNUSA-N 1 2 273.380 3.068 20 30 CGEDLO C[C@]1(C2CC2)C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000661172291 419237729 /nfs/dbraw/zinc/23/77/29/419237729.db2.gz UCGYSFTZBCDGJP-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@]1(C2CC2)C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000661172291 419237731 /nfs/dbraw/zinc/23/77/31/419237731.db2.gz UCGYSFTZBCDGJP-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C=CCCC1(CNC(=O)N(C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000661531667 419270548 /nfs/dbraw/zinc/27/05/48/419270548.db2.gz TZLWYBNWESIEFP-UHFFFAOYSA-N 1 2 290.411 3.078 20 30 CGEDLO C=CCCC1(CNC(=O)N(C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000661531667 419270549 /nfs/dbraw/zinc/27/05/49/419270549.db2.gz TZLWYBNWESIEFP-UHFFFAOYSA-N 1 2 290.411 3.078 20 30 CGEDLO N#C[C@@H]1CC[C@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000353624330 228133996 /nfs/dbraw/zinc/13/39/96/228133996.db2.gz DJGLUQIEOVGOTK-YPMHNXCESA-N 1 2 250.292 3.060 20 30 CGEDLO C=CCC1(NC(=O)NCc2cn3ccccc3[nH+]2)CCCC1 ZINC000663461131 419613376 /nfs/dbraw/zinc/61/33/76/419613376.db2.gz HFDLHFLENAHRQI-UHFFFAOYSA-N 1 2 298.390 3.022 20 30 CGEDLO C=CC[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000664252673 419868104 /nfs/dbraw/zinc/86/81/04/419868104.db2.gz AXCALGWTUTUISQ-CYBMUJFWSA-N 1 2 257.381 3.455 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CNc1ccc(CC#N)cc1 ZINC000037301837 260081630 /nfs/dbraw/zinc/08/16/30/260081630.db2.gz YQMIYWONDUBFLU-UHFFFAOYSA-N 1 2 276.343 3.321 20 30 CGEDLO C=CC(C)(C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000298250311 260149084 /nfs/dbraw/zinc/14/90/84/260149084.db2.gz DUPQTSMWULNXPA-UHFFFAOYSA-N 1 2 297.402 3.279 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000298533191 260156492 /nfs/dbraw/zinc/15/64/92/260156492.db2.gz MJZIVAPZLYYTQW-SNVBAGLBSA-N 1 2 263.291 3.057 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000298533191 260156493 /nfs/dbraw/zinc/15/64/93/260156493.db2.gz MJZIVAPZLYYTQW-SNVBAGLBSA-N 1 2 263.291 3.057 20 30 CGEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000299283195 260180244 /nfs/dbraw/zinc/18/02/44/260180244.db2.gz NFHHYHBNSYKNAK-INIZCTEOSA-N 1 2 296.414 3.014 20 30 CGEDLO N#CCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219943 260201805 /nfs/dbraw/zinc/20/18/05/260201805.db2.gz WLLGGBHPCQXWBX-UHFFFAOYSA-N 1 2 273.561 3.106 20 30 CGEDLO COc1ccc2[nH]cc(C3=CC[N@H+](CCC#N)CC3)c2c1 ZINC000363467960 260263564 /nfs/dbraw/zinc/26/35/64/260263564.db2.gz NKLCSUDWIVKVIO-UHFFFAOYSA-N 1 2 281.359 3.179 20 30 CGEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC#N)CC3)c2c1 ZINC000363467960 260263566 /nfs/dbraw/zinc/26/35/66/260263566.db2.gz NKLCSUDWIVKVIO-UHFFFAOYSA-N 1 2 281.359 3.179 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCCO[C@H]1CCOC1 ZINC000129354326 260835591 /nfs/dbraw/zinc/83/55/91/260835591.db2.gz OJTHAPFQLXDOKG-UZUMKDMXSA-N 1 2 299.370 3.160 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000154229393 261089052 /nfs/dbraw/zinc/08/90/52/261089052.db2.gz QCVFFSYLLPTBLL-LHEZXGLHSA-N 1 2 289.375 3.167 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@](C)(O)c2ccccc2)c1 ZINC000189355550 262170868 /nfs/dbraw/zinc/17/08/68/262170868.db2.gz RZAKQEFRHOBOET-UIMCMNAESA-N 1 2 299.370 3.118 20 30 CGEDLO CC(C)C[C@H](C[N@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270155 262341421 /nfs/dbraw/zinc/34/14/21/262341421.db2.gz BIRSTVCXJUZTKO-UONOGXRCSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)C[C@H](C[N@@H+](C)[C@@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270155 262341423 /nfs/dbraw/zinc/34/14/23/262341423.db2.gz BIRSTVCXJUZTKO-UONOGXRCSA-N 1 2 297.443 3.160 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000355442668 262367862 /nfs/dbraw/zinc/36/78/62/262367862.db2.gz AETBRXRKVAVROI-ZDUSSCGKSA-N 1 2 290.432 3.410 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1O ZINC000270568411 262989359 /nfs/dbraw/zinc/98/93/59/262989359.db2.gz ALWYYDHITAJFRM-VWOREBHZSA-N 1 2 291.391 3.413 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000272542015 263006110 /nfs/dbraw/zinc/00/61/10/263006110.db2.gz PJPASPNHBQHNII-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000272585732 263007423 /nfs/dbraw/zinc/00/74/23/263007423.db2.gz ZAIPJDLXCPYUBS-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ccc(C[C@@H](C)C[N@H+](CC#N)C2CC2)cc1F ZINC000274542237 263025625 /nfs/dbraw/zinc/02/56/25/263025625.db2.gz CFJIEAAQTIURPL-GFCCVEGCSA-N 1 2 276.355 3.001 20 30 CGEDLO COc1ccc(C[C@@H](C)C[N@@H+](CC#N)C2CC2)cc1F ZINC000274542237 263025626 /nfs/dbraw/zinc/02/56/26/263025626.db2.gz CFJIEAAQTIURPL-GFCCVEGCSA-N 1 2 276.355 3.001 20 30 CGEDLO Cc1nc(F)ccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000278453874 263048294 /nfs/dbraw/zinc/04/82/94/263048294.db2.gz NQWUODAAWOWFPA-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1nc(F)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000278453874 263048295 /nfs/dbraw/zinc/04/82/95/263048295.db2.gz NQWUODAAWOWFPA-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO CCc1cc(N)nc(SCCCC(C)(C)C#N)[nH+]1 ZINC000279045084 263052575 /nfs/dbraw/zinc/05/25/75/263052575.db2.gz GKPAZUPDMZFADY-UHFFFAOYSA-N 1 2 264.398 3.043 20 30 CGEDLO Cc1ccc(NC(=O)NCC2CCC(C#N)CC2)c(C)[nH+]1 ZINC000282051422 263073900 /nfs/dbraw/zinc/07/39/00/263073900.db2.gz BQQRDOHFFHUXMF-UHFFFAOYSA-N 1 2 286.379 3.150 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000284935504 263088406 /nfs/dbraw/zinc/08/84/06/263088406.db2.gz YNWOPJZPPSXBED-HNNXBMFYSA-N 1 2 265.360 3.219 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000284935504 263088407 /nfs/dbraw/zinc/08/84/07/263088407.db2.gz YNWOPJZPPSXBED-HNNXBMFYSA-N 1 2 265.360 3.219 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000285822483 263095828 /nfs/dbraw/zinc/09/58/28/263095828.db2.gz FKNNKJNSPYYDSV-INIZCTEOSA-N 1 2 282.347 3.264 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2cc(OC)ccc2o1 ZINC000292713805 263134171 /nfs/dbraw/zinc/13/41/71/263134171.db2.gz DMHIIFAVZNAPES-UHFFFAOYSA-N 1 2 270.332 3.343 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2cc(OC)ccc2o1 ZINC000292713805 263134172 /nfs/dbraw/zinc/13/41/72/263134172.db2.gz DMHIIFAVZNAPES-UHFFFAOYSA-N 1 2 270.332 3.343 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000294485381 263162501 /nfs/dbraw/zinc/16/25/01/263162501.db2.gz HLSYPYNWTZGBPM-DAXOMENPSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000294485381 263162503 /nfs/dbraw/zinc/16/25/03/263162503.db2.gz HLSYPYNWTZGBPM-DAXOMENPSA-N 1 2 290.794 3.406 20 30 CGEDLO CCc1c[nH+]ccc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000295705461 263181420 /nfs/dbraw/zinc/18/14/20/263181420.db2.gz CLLXPGNITXETDO-MRXNPFEDSA-N 1 2 269.348 3.057 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc([C@@H](C)SCC)no1 ZINC000119773179 263278498 /nfs/dbraw/zinc/27/84/98/263278498.db2.gz UZAIBVORQUQSHC-LLVKDONJSA-N 1 2 269.414 3.282 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc([C@@H](C)SCC)no1 ZINC000119773179 263278499 /nfs/dbraw/zinc/27/84/99/263278499.db2.gz UZAIBVORQUQSHC-LLVKDONJSA-N 1 2 269.414 3.282 20 30 CGEDLO CC#CCN(C)C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000341068362 263321076 /nfs/dbraw/zinc/32/10/76/263321076.db2.gz LEVUKABORYBEIH-UHFFFAOYSA-N 1 2 294.354 3.278 20 30 CGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341983122 263370616 /nfs/dbraw/zinc/37/06/16/263370616.db2.gz BOUIRFYLYUPEMD-GFCCVEGCSA-N 1 2 273.302 3.094 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000341992880 263382227 /nfs/dbraw/zinc/38/22/27/263382227.db2.gz QOXPOAWWHPPBPL-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000341990454 263382260 /nfs/dbraw/zinc/38/22/60/263382260.db2.gz CMFBOUGFNXTDED-LBPRGKRZSA-N 1 2 278.783 3.319 20 30 CGEDLO C=CC[C@@H](C)NC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000342079319 263385223 /nfs/dbraw/zinc/38/52/23/263385223.db2.gz WWEZCFUKNQMUBE-OAHLLOKOSA-N 1 2 289.423 3.167 20 30 CGEDLO C=CC[C@@H](C)NC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000342079319 263385225 /nfs/dbraw/zinc/38/52/25/263385225.db2.gz WWEZCFUKNQMUBE-OAHLLOKOSA-N 1 2 289.423 3.167 20 30 CGEDLO CC(C)(C)c1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000330864150 264057122 /nfs/dbraw/zinc/05/71/22/264057122.db2.gz WTFYUWPTTOBLFL-BBRMVZONSA-N 1 2 299.418 3.204 20 30 CGEDLO CC[C@@H](NC(=O)c1cn(C(C)(C)C)nc1C)c1[nH]cc[nH+]1 ZINC000331276307 264170437 /nfs/dbraw/zinc/17/04/37/264170437.db2.gz OAFHFTLHRMXBMR-GFCCVEGCSA-N 1 2 289.383 3.126 20 30 CGEDLO Cc1cc(F)c(C[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000425374574 264203843 /nfs/dbraw/zinc/20/38/43/264203843.db2.gz XIQVZVGPCOLWON-UHFFFAOYSA-N 1 2 250.292 3.057 20 30 CGEDLO CCC(CC)n1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000331357458 264208601 /nfs/dbraw/zinc/20/86/01/264208601.db2.gz TYQNIUXNADZLNS-SWLSCSKDSA-N 1 2 260.385 3.026 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428083083 264369366 /nfs/dbraw/zinc/36/93/66/264369366.db2.gz BMRBWVFNYJNUBH-HEHGZKQESA-N 1 2 291.391 3.100 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000181116660 264438419 /nfs/dbraw/zinc/43/84/19/264438419.db2.gz MDSRTUJIRUUOBC-UONOGXRCSA-N 1 2 290.411 3.391 20 30 CGEDLO Cc1c[nH+]cc(NCc2c(F)cc(C#N)cc2F)c1 ZINC000192753096 270077708 /nfs/dbraw/zinc/07/77/08/270077708.db2.gz XDYJRHFHNJHLFH-UHFFFAOYSA-N 1 2 259.259 3.152 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CCCC#N)[nH+]1 ZINC000362945891 267066180 /nfs/dbraw/zinc/06/61/80/267066180.db2.gz VKPMFKPCSQRSLK-UHFFFAOYSA-N 1 2 268.320 3.018 20 30 CGEDLO C=CCOc1ccccc1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119378199 267326469 /nfs/dbraw/zinc/32/64/69/267326469.db2.gz DGYUMWKOQSLRMU-UHFFFAOYSA-N 1 2 297.358 3.277 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2Br)CCC1 ZINC000418139023 267362477 /nfs/dbraw/zinc/36/24/77/267362477.db2.gz HDBHYCSBNNISBN-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)cccc2Br)CCC1 ZINC000418144969 267366425 /nfs/dbraw/zinc/36/64/25/267366425.db2.gz WCNUQFJKSWOVHM-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO C=CCCO[C@@H](C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371246671 267376769 /nfs/dbraw/zinc/37/67/69/267376769.db2.gz GDTVQJHWIHYMFY-ZDUSSCGKSA-N 1 2 299.374 3.305 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1F ZINC000092404578 269559720 /nfs/dbraw/zinc/55/97/20/269559720.db2.gz UDFRSFLYEUHPHS-UHFFFAOYSA-N 1 2 270.307 3.479 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1F ZINC000092404578 269559722 /nfs/dbraw/zinc/55/97/22/269559722.db2.gz UDFRSFLYEUHPHS-UHFFFAOYSA-N 1 2 270.307 3.479 20 30 CGEDLO Cc1cc(N[C@@H]2CCCc3ccc(F)cc32)c(C#N)c[nH+]1 ZINC000425256640 280300173 /nfs/dbraw/zinc/30/01/73/280300173.db2.gz HJXQEZBZRIYNPB-MRXNPFEDSA-N 1 2 281.334 3.312 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000334394255 303089119 /nfs/dbraw/zinc/08/91/19/303089119.db2.gz BKUCRHFTJRNXFE-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000334394255 303089121 /nfs/dbraw/zinc/08/91/21/303089121.db2.gz BKUCRHFTJRNXFE-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO N#CC1(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)CCC1 ZINC000334617657 303142045 /nfs/dbraw/zinc/14/20/45/303142045.db2.gz CIVHJOIXTKAPQB-OAHLLOKOSA-N 1 2 284.407 3.119 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285382818 303205818 /nfs/dbraw/zinc/20/58/18/303205818.db2.gz NIZQBFAEMMFQRN-INIZCTEOSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285382818 303205821 /nfs/dbraw/zinc/20/58/21/303205821.db2.gz NIZQBFAEMMFQRN-INIZCTEOSA-N 1 2 266.348 3.009 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1cccs1 ZINC000162242832 327694293 /nfs/dbraw/zinc/69/42/93/327694293.db2.gz ZTVDXRYVIFOFKD-UHFFFAOYSA-N 1 2 273.361 3.438 20 30 CGEDLO C=CCOCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000339167711 328000599 /nfs/dbraw/zinc/00/05/99/328000599.db2.gz BLDLGDGKNGONSX-OAHLLOKOSA-N 1 2 285.309 3.038 20 30 CGEDLO C=CCOCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000339167711 328000600 /nfs/dbraw/zinc/00/06/00/328000600.db2.gz BLDLGDGKNGONSX-OAHLLOKOSA-N 1 2 285.309 3.038 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000563367547 328059833 /nfs/dbraw/zinc/05/98/33/328059833.db2.gz POFVSBNPKVIDRD-SQWLQELKSA-N 1 2 299.418 3.025 20 30 CGEDLO CC1CCC(Oc2cc(C[NH2+]CCC#N)ccn2)CC1 ZINC000575797128 328190806 /nfs/dbraw/zinc/19/08/06/328190806.db2.gz OGLPMFKVGNEMKT-UHFFFAOYSA-N 1 2 273.380 3.042 20 30 CGEDLO N#CCC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292280978 328269175 /nfs/dbraw/zinc/26/91/75/328269175.db2.gz BTLCFFLLXPHSMT-CYBMUJFWSA-N 1 2 266.797 3.420 20 30 CGEDLO N#CCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292280978 328269177 /nfs/dbraw/zinc/26/91/77/328269177.db2.gz BTLCFFLLXPHSMT-CYBMUJFWSA-N 1 2 266.797 3.420 20 30 CGEDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(C(F)F)c1C#N ZINC000568664387 322218215 /nfs/dbraw/zinc/21/82/15/322218215.db2.gz RKTSVLRJXFBMRN-SNVBAGLBSA-N 1 2 276.290 3.193 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000558494927 327098046 /nfs/dbraw/zinc/09/80/46/327098046.db2.gz YKHVFDPQNCJRLO-YOEHRIQHSA-N 1 2 279.343 3.402 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000531109344 327252042 /nfs/dbraw/zinc/25/20/42/327252042.db2.gz VZQNPNLFLVDSFE-UHFFFAOYSA-N 1 2 278.783 3.239 20 30 CGEDLO N#CCCCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000172001720 329083037 /nfs/dbraw/zinc/08/30/37/329083037.db2.gz OOJZWALAXZYGAC-UHFFFAOYSA-N 1 2 295.342 3.298 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccc(C)o2)n1 ZINC000583701474 329093221 /nfs/dbraw/zinc/09/32/21/329093221.db2.gz PJRCYXJKXWGGTJ-LLVKDONJSA-N 1 2 275.377 3.493 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1 ZINC000180055575 329215017 /nfs/dbraw/zinc/21/50/17/329215017.db2.gz MJCQEJVHLMZKFG-CQSZACIVSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1 ZINC000180055575 329215019 /nfs/dbraw/zinc/21/50/19/329215019.db2.gz MJCQEJVHLMZKFG-CQSZACIVSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185595444 329326995 /nfs/dbraw/zinc/32/69/95/329326995.db2.gz GIEPRDXJDCYXRL-HOTGVXAUSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185595444 329326996 /nfs/dbraw/zinc/32/69/96/329326996.db2.gz GIEPRDXJDCYXRL-HOTGVXAUSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CC[C@@H](C(=O)Nc1c[nH+]ccc1OC)c1ccccc1 ZINC000188853057 329373731 /nfs/dbraw/zinc/37/37/31/329373731.db2.gz UXFYGPWUZCZTCH-CQSZACIVSA-N 1 2 282.343 3.389 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000419233561 329713711 /nfs/dbraw/zinc/71/37/11/329713711.db2.gz WIOCETZYJKQEBI-CQSZACIVSA-N 1 2 261.365 3.011 20 30 CGEDLO C=CC[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000121278292 330399116 /nfs/dbraw/zinc/39/91/16/330399116.db2.gz YWLCTYPWXSYEJK-UHFFFAOYSA-N 1 2 264.275 3.238 20 30 CGEDLO C=CC[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000121278292 330399117 /nfs/dbraw/zinc/39/91/17/330399117.db2.gz YWLCTYPWXSYEJK-UHFFFAOYSA-N 1 2 264.275 3.238 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000450751639 330997898 /nfs/dbraw/zinc/99/78/98/330997898.db2.gz BAQCZGJRZSSKEN-KGLIPLIRSA-N 1 2 258.296 3.129 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451804759 331042857 /nfs/dbraw/zinc/04/28/57/331042857.db2.gz XFOLLLIRPQMYMR-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451804759 331042858 /nfs/dbraw/zinc/04/28/58/331042858.db2.gz XFOLLLIRPQMYMR-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO C[C@](CO)([NH2+]CC1(C#N)CC1)c1cc(Cl)cc(Cl)c1 ZINC000451904010 331046839 /nfs/dbraw/zinc/04/68/39/331046839.db2.gz FYWMQKSCMDRHQU-CYBMUJFWSA-N 1 2 299.201 3.094 20 30 CGEDLO C=CCCCCCSc1[nH+]cnc2c1cnn2C ZINC000195436757 331173434 /nfs/dbraw/zinc/17/34/34/331173434.db2.gz FJNYJHAANXCLPQ-UHFFFAOYSA-N 1 2 262.382 3.202 20 30 CGEDLO CC#CCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000462329427 331319838 /nfs/dbraw/zinc/31/98/38/331319838.db2.gz ZAQNIOILWHYQPW-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO CC#CCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000462329427 331319839 /nfs/dbraw/zinc/31/98/39/331319839.db2.gz ZAQNIOILWHYQPW-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO C=CCOc1ccc(CNc2cc[nH+]cc2F)cc1Cl ZINC000483837001 331885899 /nfs/dbraw/zinc/88/58/99/331885899.db2.gz VFVHCVWCNIUFFL-UHFFFAOYSA-N 1 2 292.741 3.473 20 30 CGEDLO CCC[N@H+](CC1(C#N)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490055916 332079046 /nfs/dbraw/zinc/07/90/46/332079046.db2.gz PDBRBNWTWMYNCZ-OAHLLOKOSA-N 1 2 299.418 3.338 20 30 CGEDLO CCC[N@@H+](CC1(C#N)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490055916 332079048 /nfs/dbraw/zinc/07/90/48/332079048.db2.gz PDBRBNWTWMYNCZ-OAHLLOKOSA-N 1 2 299.418 3.338 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1 ZINC000491497737 332223842 /nfs/dbraw/zinc/22/38/42/332223842.db2.gz ZRAVZHYOOKRTRP-MRXNPFEDSA-N 1 2 257.283 3.429 20 30 CGEDLO N#CCCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186030294 333153781 /nfs/dbraw/zinc/15/37/81/333153781.db2.gz ZKAGHZWWWSQYFO-UHFFFAOYSA-N 1 2 298.217 3.419 20 30 CGEDLO CC(C)[N@H+](CC#Cc1ccccc1)CC(=O)OC(C)(C)C ZINC000192139670 333230551 /nfs/dbraw/zinc/23/05/51/333230551.db2.gz ALMMSPJDEZKRBK-UHFFFAOYSA-N 1 2 287.403 3.090 20 30 CGEDLO CC(C)[N@@H+](CC#Cc1ccccc1)CC(=O)OC(C)(C)C ZINC000192139670 333230552 /nfs/dbraw/zinc/23/05/52/333230552.db2.gz ALMMSPJDEZKRBK-UHFFFAOYSA-N 1 2 287.403 3.090 20 30 CGEDLO CC[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H](C)C#N ZINC000522229224 333268034 /nfs/dbraw/zinc/26/80/34/333268034.db2.gz FHSLWJPQXHMFPG-SNVBAGLBSA-N 1 2 280.755 3.050 20 30 CGEDLO CC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H](C)C#N ZINC000522229224 333268035 /nfs/dbraw/zinc/26/80/35/333268035.db2.gz FHSLWJPQXHMFPG-SNVBAGLBSA-N 1 2 280.755 3.050 20 30 CGEDLO Cc1ccc(C)c(OCC[N@H+](CC#N)C2CCCC2)c1 ZINC000523439931 333327141 /nfs/dbraw/zinc/32/71/41/333327141.db2.gz UDDWMENUWICLKI-UHFFFAOYSA-N 1 2 272.392 3.450 20 30 CGEDLO Cc1ccc(C)c(OCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000523439931 333327142 /nfs/dbraw/zinc/32/71/42/333327142.db2.gz UDDWMENUWICLKI-UHFFFAOYSA-N 1 2 272.392 3.450 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cnc(C3CC3)s2)c1 ZINC000545219215 333970336 /nfs/dbraw/zinc/97/03/36/333970336.db2.gz NPWYKMNAIJAWJO-UHFFFAOYSA-N 1 2 270.361 3.094 20 30 CGEDLO CCc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000545927905 334006898 /nfs/dbraw/zinc/00/68/98/334006898.db2.gz NXHCVPWEJFHBMV-UHFFFAOYSA-N 1 2 251.333 3.322 20 30 CGEDLO CC[N@H+](CC#Cc1ccccc1Cl)C[C@H](C)C#N ZINC000135017326 334112328 /nfs/dbraw/zinc/11/23/28/334112328.db2.gz OYAHSHMCQGALDW-CYBMUJFWSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@H](C)C#N ZINC000135017326 334112329 /nfs/dbraw/zinc/11/23/29/334112329.db2.gz OYAHSHMCQGALDW-CYBMUJFWSA-N 1 2 260.768 3.173 20 30 CGEDLO C=CCC(C)(C)c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000551139838 334239281 /nfs/dbraw/zinc/23/92/81/334239281.db2.gz IPTOOQZCYFGOEZ-UHFFFAOYSA-N 1 2 295.346 3.171 20 30 CGEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cscn2)cc1 ZINC000177714980 335381332 /nfs/dbraw/zinc/38/13/32/335381332.db2.gz LFQBTPJOARJASY-UHFFFAOYSA-N 1 2 296.317 3.303 20 30 CGEDLO CCOc1c(Cl)cccc1C[NH2+]CC1(C#N)CC1 ZINC000578479964 335639074 /nfs/dbraw/zinc/63/90/74/335639074.db2.gz YVGWKCPGPXPDCK-UHFFFAOYSA-N 1 2 264.756 3.132 20 30 CGEDLO COc1cc(C#N)cc(OCc2cn3cccc(C)c3[nH+]2)c1 ZINC000580809257 335969129 /nfs/dbraw/zinc/96/91/29/335969129.db2.gz NFHBNSMGTAKCSL-UHFFFAOYSA-N 1 2 293.326 3.102 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000581437103 336077623 /nfs/dbraw/zinc/07/76/23/336077623.db2.gz ARJLHRJYGZXACP-RYUDHWBXSA-N 1 2 291.420 3.017 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000581484973 336087361 /nfs/dbraw/zinc/08/73/61/336087361.db2.gz GQLJCSYVSQEHDU-LLVKDONJSA-N 1 2 298.415 3.480 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000581484973 336087363 /nfs/dbraw/zinc/08/73/63/336087363.db2.gz GQLJCSYVSQEHDU-LLVKDONJSA-N 1 2 298.415 3.480 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1c(F)cncc1F ZINC000353199169 533814345 /nfs/dbraw/zinc/81/43/45/533814345.db2.gz BIGITTJDNJYYQN-LBPRGKRZSA-N 1 2 272.298 3.062 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000184359084 518634332 /nfs/dbraw/zinc/63/43/32/518634332.db2.gz DQVXQYGMNQTXCC-AWEZNQCLSA-N 1 2 299.418 3.453 20 30 CGEDLO CC#CCCCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000184359173 519331255 /nfs/dbraw/zinc/33/12/55/519331255.db2.gz JXUJFURTDKXEJD-UHFFFAOYSA-N 1 2 297.402 3.045 20 30 CGEDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000358190392 534544567 /nfs/dbraw/zinc/54/45/67/534544567.db2.gz NQTHWXPYKBVXEX-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1cnc(NCCc2[nH]c3ccccc3[nH+]2)c(Cl)c1 ZINC000358888747 534825966 /nfs/dbraw/zinc/82/59/66/534825966.db2.gz YHUCPMAGPKUYDS-UHFFFAOYSA-N 1 2 297.749 3.138 20 30 CGEDLO CC(C)c1nc(N(C)Cc2cccc(C#N)c2)cc[nH+]1 ZINC000106464241 534905965 /nfs/dbraw/zinc/90/59/65/534905965.db2.gz CLDRBQOKKMDYGV-UHFFFAOYSA-N 1 2 266.348 3.108 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ncc(C)o1 ZINC000352816026 526561238 /nfs/dbraw/zinc/56/12/38/526561238.db2.gz NUUZVKGMUHNSIA-ZDUSSCGKSA-N 1 2 290.363 3.208 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ncc(C)o1 ZINC000352816026 526561242 /nfs/dbraw/zinc/56/12/42/526561242.db2.gz NUUZVKGMUHNSIA-ZDUSSCGKSA-N 1 2 290.363 3.208 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC000440478196 528347094 /nfs/dbraw/zinc/34/70/94/528347094.db2.gz KFTUMCTTYKWVDJ-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2cccc(C#N)c2F)cn1 ZINC000440478196 528347096 /nfs/dbraw/zinc/34/70/96/528347096.db2.gz KFTUMCTTYKWVDJ-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439453690 529296755 /nfs/dbraw/zinc/29/67/55/529296755.db2.gz QKMVHYJXTVDHDS-RISCZKNCSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000439453690 529296757 /nfs/dbraw/zinc/29/67/57/529296757.db2.gz QKMVHYJXTVDHDS-RISCZKNCSA-N 1 2 278.783 3.211 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2nc3ccccc3[nH]2)cc1F ZINC000727648826 571759563 /nfs/dbraw/zinc/75/95/63/571759563.db2.gz RWTZUUBIBQVSTM-UHFFFAOYSA-N 1 2 297.337 3.214 20 30 CGEDLO CN(C)c1ccc(C=[NH+][N-]c2[nH]c3ccccc3[nH+]2)cc1F ZINC000727648826 571759567 /nfs/dbraw/zinc/75/95/67/571759567.db2.gz RWTZUUBIBQVSTM-UHFFFAOYSA-N 1 2 297.337 3.214 20 30 CGEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147862 571951295 /nfs/dbraw/zinc/95/12/95/571951295.db2.gz VLYGZFDPRSXOEE-UHFFFAOYSA-N 1 2 277.327 3.111 20 30 CGEDLO Cc1ccc([C@@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)cc1 ZINC000737440752 572342944 /nfs/dbraw/zinc/34/29/44/572342944.db2.gz NZCYCPWEPRUDDY-UZPSYVQNSA-N 1 2 298.386 3.119 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738053670 572364455 /nfs/dbraw/zinc/36/44/55/572364455.db2.gz LJMMTTVXJDYUIM-UHFFFAOYSA-N 1 2 292.452 3.309 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738053670 572364457 /nfs/dbraw/zinc/36/44/57/572364457.db2.gz LJMMTTVXJDYUIM-UHFFFAOYSA-N 1 2 292.452 3.309 20 30 CGEDLO CCCCCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000732266648 572454959 /nfs/dbraw/zinc/45/49/59/572454959.db2.gz JDUWLKYAUUSPMP-UHFFFAOYSA-N 1 2 251.374 3.199 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CCc1ccc(C)c(OC)c1 ZINC000741164900 572485921 /nfs/dbraw/zinc/48/59/21/572485921.db2.gz CPNHFJYSXBWTFP-XDHOZWIPSA-N 1 2 299.370 3.379 20 30 CGEDLO COCc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000741764743 572523977 /nfs/dbraw/zinc/52/39/77/572523977.db2.gz WWUNTBJAJICSJE-UHFFFAOYSA-N 1 2 291.354 3.249 20 30 CGEDLO Cc1nc(Cl)cc(N[NH+]=Cc2ccc(N(C)C)s2)n1 ZINC000741766058 572524552 /nfs/dbraw/zinc/52/45/52/572524552.db2.gz IACRJJWBALKEOP-UHFFFAOYSA-N 1 2 295.799 3.012 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1O ZINC000741843807 572534190 /nfs/dbraw/zinc/53/41/90/572534190.db2.gz MHMODHXIADPUSK-QJLVKKIYSA-N 1 2 259.349 3.486 20 30 CGEDLO N#Cc1ccc2c(c1)CC/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000742438440 572583814 /nfs/dbraw/zinc/58/38/14/572583814.db2.gz XGJJRMYCLAUKRM-GDNBJRDFSA-N 1 2 299.333 3.418 20 30 CGEDLO CCOc1cccc(/C=[NH+]\[C@@H]2CC[C@@H](SC)C2)c1O ZINC000743043143 572636159 /nfs/dbraw/zinc/63/61/59/572636159.db2.gz SEMXYYRUYMNVIP-BPWNKSKLSA-N 1 2 279.405 3.494 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000746156296 572857700 /nfs/dbraw/zinc/85/77/00/572857700.db2.gz HVTDHXONPPOKPL-UHFFFAOYSA-N 1 2 253.320 3.461 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000746156296 572857701 /nfs/dbraw/zinc/85/77/01/572857701.db2.gz HVTDHXONPPOKPL-UHFFFAOYSA-N 1 2 253.320 3.461 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H]2CCCSC2)c(O)c1 ZINC000749007570 572988149 /nfs/dbraw/zinc/98/81/49/572988149.db2.gz JKIIEUKMMOGTOG-CDCQXCROSA-N 1 2 265.378 3.105 20 30 CGEDLO C#CC[N@@H+](CC)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000749155362 572990074 /nfs/dbraw/zinc/99/00/74/572990074.db2.gz QIDVMRMQVRZBKR-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C#CC[N@H+](CC)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000749155362 572990075 /nfs/dbraw/zinc/99/00/75/572990075.db2.gz QIDVMRMQVRZBKR-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC000957311405 613296358 /nfs/dbraw/zinc/29/63/58/613296358.db2.gz HGGIRUOZOJUDIU-UHFFFAOYSA-N 1 2 292.810 3.062 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974717413 613379796 /nfs/dbraw/zinc/37/97/96/613379796.db2.gz HXJYQUUNFKOCNE-TZMCWYRMSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974717413 613379797 /nfs/dbraw/zinc/37/97/97/613379797.db2.gz HXJYQUUNFKOCNE-TZMCWYRMSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)CC(C)(C)C2CCCCC2)CC1 ZINC000957324922 613707484 /nfs/dbraw/zinc/70/74/84/613707484.db2.gz GCKQYIZGFCJSMT-UHFFFAOYSA-N 1 2 292.467 3.313 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(C#N)c1O ZINC000926120147 618106912 /nfs/dbraw/zinc/10/69/12/618106912.db2.gz BGYPEQBCOPIIKD-GOEBONIOSA-N 1 2 288.391 3.264 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(C#N)cc3)n2c1 ZINC000255331818 618207721 /nfs/dbraw/zinc/20/77/21/618207721.db2.gz OTMCDNVETINOJT-FPLPWBNLSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc(CC(F)(F)F)s1 ZINC000891448835 618219698 /nfs/dbraw/zinc/21/96/98/618219698.db2.gz FGTBFGXXZCEYEB-UHFFFAOYSA-N 1 2 276.327 3.422 20 30 CGEDLO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1cc(C#N)cs1 ZINC000933770062 618322588 /nfs/dbraw/zinc/32/25/88/618322588.db2.gz GEQMWTUAOLJCQY-UHFFFAOYSA-N 1 2 288.420 3.203 20 30 CGEDLO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1cc(C#N)cs1 ZINC000933770062 618322593 /nfs/dbraw/zinc/32/25/93/618322593.db2.gz GEQMWTUAOLJCQY-UHFFFAOYSA-N 1 2 288.420 3.203 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cn2ccnc2s1 ZINC000891938093 618394851 /nfs/dbraw/zinc/39/48/51/618394851.db2.gz XOEHKYBSAJDMOZ-UHFFFAOYSA-N 1 2 276.409 3.158 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn2ccnc2s1 ZINC000891938093 618394856 /nfs/dbraw/zinc/39/48/56/618394856.db2.gz XOEHKYBSAJDMOZ-UHFFFAOYSA-N 1 2 276.409 3.158 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000178941027 618720183 /nfs/dbraw/zinc/72/01/83/618720183.db2.gz BMIJLVORESUUKP-CMDGGOBGSA-N 1 2 273.295 3.102 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cncc(F)c3)n2c1 ZINC000255872442 618831243 /nfs/dbraw/zinc/83/12/43/618831243.db2.gz IEBKEKSJJKXDPI-ARJAWSKDSA-N 1 2 281.290 3.073 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cccnc1C)c1cccc(C#N)c1O ZINC000926760140 618869319 /nfs/dbraw/zinc/86/93/19/618869319.db2.gz IDACISSBDPETBM-MRXNPFEDSA-N 1 2 281.359 3.208 20 30 CGEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000892961512 618964886 /nfs/dbraw/zinc/96/48/86/618964886.db2.gz DSNPSIKMIHYWSR-CYBMUJFWSA-N 1 2 298.777 3.297 20 30 CGEDLO COc1ccc2[nH+]ccc(N3CCC[C@](C)(C#N)C3)c2c1 ZINC000893141637 619004759 /nfs/dbraw/zinc/00/47/59/619004759.db2.gz UOIFWICFJBRRLC-QGZVFWFLSA-N 1 2 281.359 3.373 20 30 CGEDLO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000893528663 619205464 /nfs/dbraw/zinc/20/54/64/619205464.db2.gz ZIWNSLUZYJMVRR-CXAGYDPISA-N 1 2 270.376 3.136 20 30 CGEDLO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)ccc2O1 ZINC000893528663 619205465 /nfs/dbraw/zinc/20/54/65/619205465.db2.gz ZIWNSLUZYJMVRR-CXAGYDPISA-N 1 2 270.376 3.136 20 30 CGEDLO CC[C@@H]([NH2+]CCN(CC)C(C)C)c1cccc(C#N)c1O ZINC000924909034 619435620 /nfs/dbraw/zinc/43/56/20/619435620.db2.gz KSNQWBHPQWPVJR-MRXNPFEDSA-N 1 2 289.423 3.035 20 30 CGEDLO Cc1ncoc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000894359956 619504008 /nfs/dbraw/zinc/50/40/08/619504008.db2.gz VIQCAAIEHQNBJJ-CQSZACIVSA-N 1 2 255.321 3.118 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505259 620019192 /nfs/dbraw/zinc/01/91/92/620019192.db2.gz MHOTWPCAFMJHDL-CQSZACIVSA-N 1 2 280.375 3.121 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505259 620019194 /nfs/dbraw/zinc/01/91/94/620019194.db2.gz MHOTWPCAFMJHDL-CQSZACIVSA-N 1 2 280.375 3.121 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000896507172 620019877 /nfs/dbraw/zinc/01/98/77/620019877.db2.gz YZLACENWWSRBKC-INIZCTEOSA-N 1 2 270.376 3.211 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000896507172 620019880 /nfs/dbraw/zinc/01/98/80/620019880.db2.gz YZLACENWWSRBKC-INIZCTEOSA-N 1 2 270.376 3.211 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000840709528 620103577 /nfs/dbraw/zinc/10/35/77/620103577.db2.gz NMOORJNGUCIYMF-IVKDTBIESA-N 1 2 291.391 3.271 20 30 CGEDLO C=CCCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897756942 620423976 /nfs/dbraw/zinc/42/39/76/620423976.db2.gz SYYVCONSWSJTEJ-UHFFFAOYSA-N 1 2 277.412 3.179 20 30 CGEDLO Cc1[nH]c(/C=C2/C(=O)c3c(c(F)ccc3O)[C@@H]2C)[nH+]c1C ZINC000901450968 620885005 /nfs/dbraw/zinc/88/50/05/620885005.db2.gz GOOQPEXVZKDZJP-VSUWBIFXSA-N 1 2 286.306 3.255 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000902878768 621481989 /nfs/dbraw/zinc/48/19/89/621481989.db2.gz LRXAVCMNHMHJEO-MEBBXXQBSA-N 1 2 299.761 3.391 20 30 CGEDLO CCCn1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)nn1 ZINC000902884716 621483678 /nfs/dbraw/zinc/48/36/78/621483678.db2.gz LEKHPISGPBSAKV-HOCLYGCPSA-N 1 2 297.406 3.384 20 30 CGEDLO CC(C)c1[nH+]c(C=NNC2CCCC2)c2ccccn21 ZINC000755689789 625583495 /nfs/dbraw/zinc/58/34/95/625583495.db2.gz SLFKLWVYJWNDQL-UHFFFAOYSA-N 1 2 270.380 3.324 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(OC)s1)CC1CCCCC1 ZINC000929623967 623483749 /nfs/dbraw/zinc/48/37/49/623483749.db2.gz GRFRXLNYQJHUHA-UHFFFAOYSA-N 1 2 281.425 3.115 20 30 CGEDLO C=CC[N@H+](Cc1nnc(OC)s1)CC1CCCCC1 ZINC000929623967 623483762 /nfs/dbraw/zinc/48/37/62/623483762.db2.gz GRFRXLNYQJHUHA-UHFFFAOYSA-N 1 2 281.425 3.115 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)OCC3CCC(C#N)CC3)ccn12 ZINC000922848362 626058229 /nfs/dbraw/zinc/05/82/29/626058229.db2.gz SHOOHYNPHHUFLQ-UHFFFAOYSA-N 1 2 297.358 3.130 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000751777272 626404867 /nfs/dbraw/zinc/40/48/67/626404867.db2.gz QSIIFSLPIJECFS-LBPRGKRZSA-N 1 2 267.170 3.127 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000751777272 626404868 /nfs/dbraw/zinc/40/48/68/626404868.db2.gz QSIIFSLPIJECFS-LBPRGKRZSA-N 1 2 267.170 3.127 20 30 CGEDLO COc1ncc(C[N@H+](CCC#N)CC(C)C)cc1Cl ZINC000751990745 626414722 /nfs/dbraw/zinc/41/47/22/626414722.db2.gz AQNHPPKWIBRMNV-UHFFFAOYSA-N 1 2 281.787 3.115 20 30 CGEDLO COc1ncc(C[N@@H+](CCC#N)CC(C)C)cc1Cl ZINC000751990745 626414723 /nfs/dbraw/zinc/41/47/23/626414723.db2.gz AQNHPPKWIBRMNV-UHFFFAOYSA-N 1 2 281.787 3.115 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000753587778 626457339 /nfs/dbraw/zinc/45/73/39/626457339.db2.gz QYNOEUQLVFOUGP-HNNXBMFYSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000753587778 626457341 /nfs/dbraw/zinc/45/73/41/626457341.db2.gz QYNOEUQLVFOUGP-HNNXBMFYSA-N 1 2 278.783 3.480 20 30 CGEDLO C#Cc1ccccc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000753700525 626462490 /nfs/dbraw/zinc/46/24/90/626462490.db2.gz KMIKCUMWRBQIBL-UHFFFAOYSA-N 1 2 285.350 3.474 20 30 CGEDLO C[C@@H]([NH2+]CCCCC#N)c1cc(F)cc(F)c1O ZINC000756537041 626713090 /nfs/dbraw/zinc/71/30/90/626713090.db2.gz XLUGBUMUQWMBSS-SECBINFHSA-N 1 2 254.280 3.015 20 30 CGEDLO Fc1ccc(CON=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000758144387 626830687 /nfs/dbraw/zinc/83/06/87/626830687.db2.gz LXQAZCKLYHTRGL-UHFFFAOYSA-N 1 2 299.349 3.394 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CCCc1ccc2c(c1)OCCO2 ZINC000758359834 626839512 /nfs/dbraw/zinc/83/95/12/626839512.db2.gz SATHMGPSKORNLS-UYRXBGFRSA-N 1 2 297.354 3.215 20 30 CGEDLO O=C1c2cccc3c2[C@H](CCC3)/C1=C\c1[nH]cc[nH+]1 ZINC000763290321 627149654 /nfs/dbraw/zinc/14/96/54/627149654.db2.gz PQUALJKNEOTACW-VSXLWIIGSA-N 1 2 250.301 3.110 20 30 CGEDLO CC(=[NH+]Nc1ccncc1Cl)c1ccccc1N(C)C ZINC000769583079 627567188 /nfs/dbraw/zinc/56/71/88/627567188.db2.gz BUXFVFRKBBNDFG-UHFFFAOYSA-N 1 2 288.782 3.059 20 30 CGEDLO Cc1cccn2c(/C=C3\COc4ccccc4C3=O)c[nH+]c12 ZINC000125238643 634659649 /nfs/dbraw/zinc/65/96/49/634659649.db2.gz MOUISHRWFZMIIG-UKTHLTGXSA-N 1 2 290.322 3.301 20 30 CGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N(C)C)cc1 ZINC000781134048 628540390 /nfs/dbraw/zinc/54/03/90/628540390.db2.gz ZHCNWRMFBSMABX-UHFFFAOYSA-N 1 2 272.327 3.123 20 30 CGEDLO NC(=[NH+]OCCCc1ccsc1)c1ccc(F)cc1 ZINC000782946006 628669008 /nfs/dbraw/zinc/66/90/08/628669008.db2.gz YLWPKXXRBSLFHS-UHFFFAOYSA-N 1 2 278.352 3.157 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2cc(F)cc(F)c2)cn1 ZINC000790157625 629187349 /nfs/dbraw/zinc/18/73/49/629187349.db2.gz NJTMXPCBTUIGER-UHFFFAOYSA-N 1 2 290.317 3.262 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccccc1OC1CCCC1 ZINC000790305689 629202081 /nfs/dbraw/zinc/20/20/81/629202081.db2.gz MTTOIQURJMDPKQ-UHFFFAOYSA-N 1 2 284.363 3.188 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794690700 629567917 /nfs/dbraw/zinc/56/79/17/629567917.db2.gz IYDBWMJRQOUCAB-CMDGGOBGSA-N 1 2 286.400 3.409 20 30 CGEDLO O=C1c2cc(O)ccc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000794959957 629606986 /nfs/dbraw/zinc/60/69/86/629606986.db2.gz GXZQMYWQSJMGFZ-RAXLEYEMSA-N 1 2 290.322 3.252 20 30 CGEDLO CC1(C)C/C(=C/c2[nH]cc[nH+]2)C(=O)c2ccccc21 ZINC000794969949 629609530 /nfs/dbraw/zinc/60/95/30/629609530.db2.gz WGCABCSXIVKEJR-LUAWRHEFSA-N 1 2 252.317 3.357 20 30 CGEDLO CC(C)(C)c1cn(Cc2cc(C#N)ccc2F)c[nH+]1 ZINC000865375200 630085278 /nfs/dbraw/zinc/08/52/78/630085278.db2.gz GDXYBCJSFLQIRV-UHFFFAOYSA-N 1 2 257.312 3.240 20 30 CGEDLO CC(C)(C)c1cn(Cc2cc(F)ccc2C#N)c[nH+]1 ZINC000865376066 630086009 /nfs/dbraw/zinc/08/60/09/630086009.db2.gz XSXIGNKUVDYHMY-UHFFFAOYSA-N 1 2 257.312 3.240 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2ccccc2Cl)cn1C ZINC000800804792 630299939 /nfs/dbraw/zinc/29/99/39/630299939.db2.gz DCNGFJZWNYWEQS-UHFFFAOYSA-N 1 2 262.744 3.218 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335041 630521105 /nfs/dbraw/zinc/52/11/05/630521105.db2.gz PZQCUATWUVKPML-CQSZACIVSA-N 1 2 277.412 3.065 20 30 CGEDLO Cc1cccc(C(C)C)c1N[NH+]=Cc1cn(C)[nH]c1=O ZINC000814229072 631554899 /nfs/dbraw/zinc/55/48/99/631554899.db2.gz QMUDLBLXYYAQQB-UHFFFAOYSA-N 1 2 272.352 3.004 20 30 CGEDLO CC(=[NH+]NCc1cccc(F)c1)c1cc(F)c(N)c(F)c1 ZINC000814804872 631643538 /nfs/dbraw/zinc/64/35/38/631643538.db2.gz IPPHCOBTTTYUHB-UHFFFAOYSA-N 1 2 293.292 3.200 20 30 CGEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]OCCC2CC2)C1 ZINC000814941275 631693547 /nfs/dbraw/zinc/69/35/47/631693547.db2.gz UFFBZSRPIYAVLY-UHFFFAOYSA-N 1 2 279.409 3.219 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1ccccc1O[C@@H](C)C#N ZINC000818201325 632298065 /nfs/dbraw/zinc/29/80/65/632298065.db2.gz UCQMFLMEADAVFT-ZDUSSCGKSA-N 1 2 284.363 3.367 20 30 CGEDLO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccc1C ZINC000866245992 633043715 /nfs/dbraw/zinc/04/37/15/633043715.db2.gz DXEQZLBWGYKWLF-ZDUSSCGKSA-N 1 2 296.370 3.432 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C#N)c1O ZINC000866253390 633046687 /nfs/dbraw/zinc/04/66/87/633046687.db2.gz YDHMJWKEGLVZES-GFCCVEGCSA-N 1 2 294.354 3.050 20 30 CGEDLO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866272625 633057929 /nfs/dbraw/zinc/05/79/29/633057929.db2.gz XXMHJPKCYFXKKD-DYVFJYSZSA-N 1 2 290.407 3.102 20 30 CGEDLO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866308867 633076185 /nfs/dbraw/zinc/07/61/85/633076185.db2.gz IMZZCYIUJAIPIL-ZDUSSCGKSA-N 1 2 296.370 3.432 20 30 CGEDLO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866314123 633078870 /nfs/dbraw/zinc/07/88/70/633078870.db2.gz KIINEUVKEKLHJX-PWSUYJOCSA-N 1 2 264.394 3.056 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1Cl ZINC000825498083 633358346 /nfs/dbraw/zinc/35/83/46/633358346.db2.gz UMEDULYELVSSSR-HNNXBMFYSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1Cl ZINC000825498083 633358351 /nfs/dbraw/zinc/35/83/51/633358351.db2.gz UMEDULYELVSSSR-HNNXBMFYSA-N 1 2 278.783 3.480 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000826861305 633438113 /nfs/dbraw/zinc/43/81/13/633438113.db2.gz DRIGMOJRGSQFAS-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000826861305 633438118 /nfs/dbraw/zinc/43/81/18/633438118.db2.gz DRIGMOJRGSQFAS-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO C=CCC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000827146754 633463765 /nfs/dbraw/zinc/46/37/65/633463765.db2.gz JOOBNUNZQNXPAS-UHFFFAOYSA-N 1 2 299.773 3.400 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC000827650402 633507894 /nfs/dbraw/zinc/50/78/94/633507894.db2.gz QJILCGXESPLRKD-CQSZACIVSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC000827650402 633507897 /nfs/dbraw/zinc/50/78/97/633507897.db2.gz QJILCGXESPLRKD-CQSZACIVSA-N 1 2 264.756 3.090 20 30 CGEDLO C#CCOCCNc1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000827899406 633532556 /nfs/dbraw/zinc/53/25/56/633532556.db2.gz DUZIOOZKEBPNGN-UHFFFAOYSA-N 1 2 294.276 3.315 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000840710307 635038839 /nfs/dbraw/zinc/03/88/39/635038839.db2.gz PXUNEKWUKMPELA-HTMJNSLASA-N 1 2 291.391 3.415 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H](C(F)(F)F)O1 ZINC000877824225 635229398 /nfs/dbraw/zinc/22/93/98/635229398.db2.gz PWWXNAKGAOITFK-SMDDNHRTSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H](C(F)(F)F)O1 ZINC000877824225 635229402 /nfs/dbraw/zinc/22/94/02/635229402.db2.gz PWWXNAKGAOITFK-SMDDNHRTSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc2ccccc2c(Cl)n1 ZINC000878821330 635637297 /nfs/dbraw/zinc/63/72/97/635637297.db2.gz XDCWAQWSOGOPTR-SNVBAGLBSA-N 1 2 259.740 3.280 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc1Cl ZINC000879308823 635751821 /nfs/dbraw/zinc/75/18/21/635751821.db2.gz INBWIQBSFNMHCS-WCQYABFASA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc1Cl ZINC000879308823 635751827 /nfs/dbraw/zinc/75/18/27/635751827.db2.gz INBWIQBSFNMHCS-WCQYABFASA-N 1 2 263.772 3.168 20 30 CGEDLO C[C@H]1c2sccc2CC[N@H+]1Cc1ccncc1C#N ZINC000880377469 635989741 /nfs/dbraw/zinc/98/97/41/635989741.db2.gz WTFRKXXHWUYCOK-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000880377469 635989743 /nfs/dbraw/zinc/98/97/43/635989743.db2.gz WTFRKXXHWUYCOK-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C=C(Cl)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130697064 636499808 /nfs/dbraw/zinc/49/98/08/636499808.db2.gz CXXPGPUDKSAVKI-UHFFFAOYSA-N 1 2 266.728 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130697064 636499811 /nfs/dbraw/zinc/49/98/11/636499811.db2.gz CXXPGPUDKSAVKI-UHFFFAOYSA-N 1 2 266.728 3.312 20 30 CGEDLO CC(C)[C@@H]1CCCCC1N=NCCCn1cc[nH+]c1 ZINC000848418878 636572713 /nfs/dbraw/zinc/57/27/13/636572713.db2.gz QWMRLDJUSCOHPI-AWEZNQCLSA-N 1 2 262.401 3.065 20 30 CGEDLO CCC[C@H](C)C(CC)=NNCCCn1cc[nH+]c1 ZINC000848417828 636572934 /nfs/dbraw/zinc/57/29/34/636572934.db2.gz GBOIOWOGGYGINL-ZDUSSCGKSA-N 1 2 250.390 3.065 20 30 CGEDLO CCCC(Cc1ccccc1)=NNCCCn1cc[nH+]c1 ZINC000848417582 636573031 /nfs/dbraw/zinc/57/30/31/636573031.db2.gz BTWUTSDQIYZKFC-UHFFFAOYSA-N 1 2 284.407 3.262 20 30 CGEDLO C=CCCC[C@H]([NH2+]Cc1ncn(C)n1)c1ccccc1 ZINC000883209249 636586985 /nfs/dbraw/zinc/58/69/85/636586985.db2.gz YJCJFNUHUSYPLH-HNNXBMFYSA-N 1 2 270.380 3.002 20 30 CGEDLO C#C[C@@H]1CCCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000848748336 636648614 /nfs/dbraw/zinc/64/86/14/636648614.db2.gz FEPMLFYOCQVKRX-GFCCVEGCSA-N 1 2 254.308 3.224 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCCOC(C)(C)C)c1 ZINC000849172461 636764760 /nfs/dbraw/zinc/76/47/60/636764760.db2.gz SLLCHPLYZHWJRF-ATVHPVEESA-N 1 2 279.380 3.415 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850442110 637066011 /nfs/dbraw/zinc/06/60/11/637066011.db2.gz AWEQJTKFSVLGON-SECBINFHSA-N 1 2 270.716 3.007 20 30 CGEDLO CSc1ccc(C[NH2+]Cc2csc(C)n2)cc1C#N ZINC000886278542 637479824 /nfs/dbraw/zinc/47/98/24/637479824.db2.gz BSYLCQGRTXYVLU-UHFFFAOYSA-N 1 2 289.429 3.335 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328812 637635658 /nfs/dbraw/zinc/63/56/58/637635658.db2.gz NLFGKARUMOYOLO-YJBOKZPZSA-N 1 2 292.386 3.095 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328812 637635678 /nfs/dbraw/zinc/63/56/78/637635678.db2.gz NLFGKARUMOYOLO-YJBOKZPZSA-N 1 2 292.386 3.095 20 30 CGEDLO CO[C@H]1C[C@H](C/[NH+]=C\c2c(O)ccc3ccccc32)C1 ZINC000887268943 637785337 /nfs/dbraw/zinc/78/53/37/637785337.db2.gz YUXYUMAPQXTJKB-HPQDAVOESA-N 1 2 269.344 3.389 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCC(F)(F)C1 ZINC000853448640 637846543 /nfs/dbraw/zinc/84/65/43/637846543.db2.gz ONEKSTFGFPMXRZ-GFCCVEGCSA-N 1 2 280.318 3.474 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCc1ccccn1 ZINC000853451640 637846944 /nfs/dbraw/zinc/84/69/44/637846944.db2.gz AJABNKWKMQZWPV-UHFFFAOYSA-N 1 2 295.386 3.314 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cncc(C)c1 ZINC000853462127 637848949 /nfs/dbraw/zinc/84/89/49/637848949.db2.gz KEQGWWAJNYRYLO-UHFFFAOYSA-N 1 2 281.359 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1cc(OC)ncc1Br)C(C)C ZINC000856721270 638377193 /nfs/dbraw/zinc/37/71/93/638377193.db2.gz GMPXOTGNZWMYQK-UHFFFAOYSA-N 1 2 299.212 3.249 20 30 CGEDLO C=CC[N@H+](Cc1cc(OC)ncc1Br)C(C)C ZINC000856721270 638377195 /nfs/dbraw/zinc/37/71/95/638377195.db2.gz GMPXOTGNZWMYQK-UHFFFAOYSA-N 1 2 299.212 3.249 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc(C#N)c1O ZINC000924799020 638405543 /nfs/dbraw/zinc/40/55/43/638405543.db2.gz CMUNJDQPQSXIKH-KRWDZBQOSA-N 1 2 296.370 3.253 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc(C#N)c1O ZINC000924799021 638405930 /nfs/dbraw/zinc/40/59/30/638405930.db2.gz CMUNJDQPQSXIKH-QGZVFWFLSA-N 1 2 296.370 3.253 20 30 CGEDLO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925033147 638439606 /nfs/dbraw/zinc/43/96/06/638439606.db2.gz KIFWZLSVHTXEAL-CVEARBPZSA-N 1 2 290.407 3.102 20 30 CGEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cn(C)cn1 ZINC000925600618 638541368 /nfs/dbraw/zinc/54/13/68/638541368.db2.gz HIWOKQOOXHULEF-UKRRQHHQSA-N 1 2 268.364 3.116 20 30 CGEDLO C[C@H](CC(C)(C)C#N)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000925752363 638595715 /nfs/dbraw/zinc/59/57/15/638595715.db2.gz UCXVYCUSMDFGFZ-CYBMUJFWSA-N 1 2 272.396 3.422 20 30 CGEDLO CC[C@H]([NH2+]CC[C@H](C)F)c1cccc(C#N)c1O ZINC000926484788 638775924 /nfs/dbraw/zinc/77/59/24/638775924.db2.gz DWTPUIFNDCRMLR-GWCFXTLKSA-N 1 2 250.317 3.053 20 30 CGEDLO CCC[C@@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1O)OC ZINC000926503833 638778715 /nfs/dbraw/zinc/77/87/15/638778715.db2.gz YRIYKTDDENNVIW-ZFWWWQNUSA-N 1 2 276.380 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(C#N)c1O ZINC000926880865 638820691 /nfs/dbraw/zinc/82/06/91/638820691.db2.gz QQGLWAKVBQIFBR-OAHLLOKOSA-N 1 2 283.375 3.389 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929830303 638955297 /nfs/dbraw/zinc/95/52/97/638955297.db2.gz CWFYVKLAXHRSGG-MRVWCRGKSA-N 1 2 264.319 3.269 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929830303 638955300 /nfs/dbraw/zinc/95/53/00/638955300.db2.gz CWFYVKLAXHRSGG-MRVWCRGKSA-N 1 2 264.319 3.269 20 30 CGEDLO C[C@@H](c1ncccn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930158531 638978269 /nfs/dbraw/zinc/97/82/69/638978269.db2.gz MUWFCPBAWUQRHE-AWEZNQCLSA-N 1 2 290.370 3.199 20 30 CGEDLO C[C@@H](c1ncccn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930158531 638978272 /nfs/dbraw/zinc/97/82/72/638978272.db2.gz MUWFCPBAWUQRHE-AWEZNQCLSA-N 1 2 290.370 3.199 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000931061673 639106080 /nfs/dbraw/zinc/10/60/80/639106080.db2.gz ATTKMKZFBWGIFY-CQSZACIVSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000931061673 639106084 /nfs/dbraw/zinc/10/60/84/639106084.db2.gz ATTKMKZFBWGIFY-CQSZACIVSA-N 1 2 282.746 3.093 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[NH2+]C1(c2ncccn2)CCC1 ZINC000931691958 639190553 /nfs/dbraw/zinc/19/05/53/639190553.db2.gz HOFAXOVMBKQACR-UHFFFAOYSA-N 1 2 292.386 3.134 20 30 CGEDLO C#CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931796791 639207554 /nfs/dbraw/zinc/20/75/54/639207554.db2.gz MYQVBPDABNTDBY-INIZCTEOSA-N 1 2 285.778 3.034 20 30 CGEDLO C#CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931796791 639207557 /nfs/dbraw/zinc/20/75/57/639207557.db2.gz MYQVBPDABNTDBY-INIZCTEOSA-N 1 2 285.778 3.034 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000932151570 639277072 /nfs/dbraw/zinc/27/70/72/639277072.db2.gz ZKLPQLGEKWEQEE-XIRDDKMYSA-N 1 2 270.376 3.142 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000932151570 639277076 /nfs/dbraw/zinc/27/70/76/639277076.db2.gz ZKLPQLGEKWEQEE-XIRDDKMYSA-N 1 2 270.376 3.142 20 30 CGEDLO CCCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932155019 639278008 /nfs/dbraw/zinc/27/80/08/639278008.db2.gz VIWOTWQGHJIAKS-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932155019 639278013 /nfs/dbraw/zinc/27/80/13/639278013.db2.gz VIWOTWQGHJIAKS-HNNXBMFYSA-N 1 2 258.365 3.211 20 30 CGEDLO C=CC1(CC(=O)NCCCCn2cc[nH+]c2)CCCCC1 ZINC000932717613 639376540 /nfs/dbraw/zinc/37/65/40/639376540.db2.gz CSBJLYNBSHKLSQ-UHFFFAOYSA-N 1 2 289.423 3.306 20 30 CGEDLO CC(C)(CCC#N)C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000155619237 639942992 /nfs/dbraw/zinc/94/29/92/639942992.db2.gz ITXPOJVSIXOXEG-UHFFFAOYSA-N 1 2 287.407 3.265 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007607022 640944231 /nfs/dbraw/zinc/94/42/31/640944231.db2.gz JMGKSSFORRQQOG-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007607022 640944234 /nfs/dbraw/zinc/94/42/34/640944234.db2.gz JMGKSSFORRQQOG-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008189820 640947131 /nfs/dbraw/zinc/94/71/31/640947131.db2.gz GNYYUFBKJZOMHD-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008189820 640947134 /nfs/dbraw/zinc/94/71/34/640947134.db2.gz GNYYUFBKJZOMHD-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014547407 640973496 /nfs/dbraw/zinc/97/34/96/640973496.db2.gz YRKNUHCQTWJGKW-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014547407 640973499 /nfs/dbraw/zinc/97/34/99/640973499.db2.gz YRKNUHCQTWJGKW-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016040494 640989231 /nfs/dbraw/zinc/98/92/31/640989231.db2.gz KWFNJKYWHKEJOG-KKUMJFAQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016040494 640989236 /nfs/dbraw/zinc/98/92/36/640989236.db2.gz KWFNJKYWHKEJOG-KKUMJFAQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016357888 640995839 /nfs/dbraw/zinc/99/58/39/640995839.db2.gz VOHUOKLJJZHNJD-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016357888 640995844 /nfs/dbraw/zinc/99/58/44/640995844.db2.gz VOHUOKLJJZHNJD-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO CCCCCCCC[C@@H](O)CNc1cc[nH+]nc1 ZINC001252122316 806010042 /nfs/dbraw/zinc/01/00/42/806010042.db2.gz RKTPWWYGBHJNKG-CQSZACIVSA-N 1 2 251.374 3.000 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001252602795 806082537 /nfs/dbraw/zinc/08/25/37/806082537.db2.gz WXJLWTGKSVSTGM-CJNGLKHVSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC001252602795 806082544 /nfs/dbraw/zinc/08/25/44/806082544.db2.gz WXJLWTGKSVSTGM-CJNGLKHVSA-N 1 2 295.810 3.040 20 30 CGEDLO CC(C)(C)[C@@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253730408 806287850 /nfs/dbraw/zinc/28/78/50/806287850.db2.gz VJHRBXVJDFMDBV-HNNXBMFYSA-N 1 2 294.826 3.463 20 30 CGEDLO CC(C)(C)[C@@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001253730408 806287856 /nfs/dbraw/zinc/28/78/56/806287856.db2.gz VJHRBXVJDFMDBV-HNNXBMFYSA-N 1 2 294.826 3.463 20 30 CGEDLO CC(C)CNN=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC001254076994 806338232 /nfs/dbraw/zinc/33/82/32/806338232.db2.gz NSZBJNHIFZMAKG-UHFFFAOYSA-N 1 2 258.369 3.037 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254622271 806463334 /nfs/dbraw/zinc/46/33/34/806463334.db2.gz ZONQRXJPOMTBKA-UHFFFAOYSA-N 1 2 289.398 3.466 20 30 CGEDLO CC(C)c1nc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC001254670292 806482157 /nfs/dbraw/zinc/48/21/57/806482157.db2.gz ILJXYKPMAYPYON-AAEUAGOBSA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)c1nc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cs1 ZINC001254670292 806482162 /nfs/dbraw/zinc/48/21/62/806482162.db2.gz ILJXYKPMAYPYON-AAEUAGOBSA-N 1 2 263.410 3.391 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1COc2ccc(Br)cc21 ZINC001255155952 806556225 /nfs/dbraw/zinc/55/62/25/806556225.db2.gz VUXXHNBVLUHDHH-CMPLNLGQSA-N 1 2 295.180 3.164 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCOc2c(F)cc(F)cc21 ZINC001255163360 806561706 /nfs/dbraw/zinc/56/17/06/806561706.db2.gz FVRVRLBVMJWCGU-ZWNOBZJWSA-N 1 2 266.291 3.070 20 30 CGEDLO N#CC1(CNc2cc[nH+]cc2-c2ccccc2)CCC1 ZINC001162412109 806581367 /nfs/dbraw/zinc/58/13/67/806581367.db2.gz LYMWBEMREHIBJS-UHFFFAOYSA-N 1 2 263.344 3.276 20 30 CGEDLO C#CCCC1(CCNc2cc(C)[nH+]c(C(C)(C)C)n2)N=N1 ZINC001163381472 806755494 /nfs/dbraw/zinc/75/54/94/806755494.db2.gz ZVUZXLYTJMNXNQ-UHFFFAOYSA-N 1 2 285.395 3.460 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC001255919583 806788681 /nfs/dbraw/zinc/78/86/81/806788681.db2.gz NYDNJEZRJXRKHL-ZIAGYGMSSA-N 1 2 275.396 3.037 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000721444083 800289521 /nfs/dbraw/zinc/28/95/21/800289521.db2.gz ZEHNZLZUKZLNEP-GFCCVEGCSA-N 1 2 286.322 3.038 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000721444083 800289524 /nfs/dbraw/zinc/28/95/24/800289524.db2.gz ZEHNZLZUKZLNEP-GFCCVEGCSA-N 1 2 286.322 3.038 20 30 CGEDLO C(#Cc1ccccc1)C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000893147159 800570458 /nfs/dbraw/zinc/57/04/58/800570458.db2.gz URMLTWATNWQBFQ-UHFFFAOYSA-N 1 2 279.387 3.140 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000934512820 800678667 /nfs/dbraw/zinc/67/86/67/800678667.db2.gz YSUAGIJPRIJRLH-GFCCVEGCSA-N 1 2 272.373 3.391 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000934512820 800678675 /nfs/dbraw/zinc/67/86/75/800678675.db2.gz YSUAGIJPRIJRLH-GFCCVEGCSA-N 1 2 272.373 3.391 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326116 800725152 /nfs/dbraw/zinc/72/51/52/800725152.db2.gz HKUAKPBONKZJJY-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326116 800725155 /nfs/dbraw/zinc/72/51/55/800725155.db2.gz HKUAKPBONKZJJY-LSDHHAIUSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033926852 800989069 /nfs/dbraw/zinc/98/90/69/800989069.db2.gz MGTLPUTZYJZHFL-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033926852 800989076 /nfs/dbraw/zinc/98/90/76/800989076.db2.gz MGTLPUTZYJZHFL-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001039048541 801141832 /nfs/dbraw/zinc/14/18/32/801141832.db2.gz KHUQWVXAYGPKRL-AWEZNQCLSA-N 1 2 298.386 3.040 20 30 CGEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1oc2c(cccc2C)c1C ZINC001039048541 801141835 /nfs/dbraw/zinc/14/18/35/801141835.db2.gz KHUQWVXAYGPKRL-AWEZNQCLSA-N 1 2 298.386 3.040 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071716520 801546768 /nfs/dbraw/zinc/54/67/68/801546768.db2.gz WAZMIDSSKJJLTD-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071716520 801546774 /nfs/dbraw/zinc/54/67/74/801546774.db2.gz WAZMIDSSKJJLTD-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C[C@H]1C[C@@H](CF)N(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001164258609 806923592 /nfs/dbraw/zinc/92/35/92/806923592.db2.gz AGEDRLLRRMJVGL-FZMZJTMJSA-N 1 2 269.323 3.291 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088589011 801800991 /nfs/dbraw/zinc/80/09/91/801800991.db2.gz JZGUUZMKAPNKDL-IJEWVQPXSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088589011 801800995 /nfs/dbraw/zinc/80/09/95/801800995.db2.gz JZGUUZMKAPNKDL-IJEWVQPXSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCC1)C2 ZINC001109629721 802120961 /nfs/dbraw/zinc/12/09/61/802120961.db2.gz UDXSEUTZQZXMIJ-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCC1)C2 ZINC001109629721 802120965 /nfs/dbraw/zinc/12/09/65/802120965.db2.gz UDXSEUTZQZXMIJ-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO Cc1cccn2c(/C=C/c3cc(C#N)ccn3)c[nH+]c12 ZINC001116855235 802419150 /nfs/dbraw/zinc/41/91/50/802419150.db2.gz UWOIZZOEPCQWGT-SNAWJCMRSA-N 1 2 260.300 3.080 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132257096 803388704 /nfs/dbraw/zinc/38/87/04/803388704.db2.gz TYXJZQQXLYSISR-KGLIPLIRSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132257096 803388711 /nfs/dbraw/zinc/38/87/11/803388711.db2.gz TYXJZQQXLYSISR-KGLIPLIRSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001133177476 803459175 /nfs/dbraw/zinc/45/91/75/803459175.db2.gz OCABVXVLYHKSLN-UHFFFAOYSA-N 1 2 285.391 3.365 20 30 CGEDLO COc1ccc(-c2ccc3[nH+]c(C)cn3c2)cc1C#N ZINC001244709610 803508638 /nfs/dbraw/zinc/50/86/38/803508638.db2.gz YKVUMNPYUMHLAA-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO CNc1cc(-c2ccccc2C2(C#N)CCOCC2)cc[nH+]1 ZINC001244977064 803601174 /nfs/dbraw/zinc/60/11/74/803601174.db2.gz QGUQVKYULDEWCY-UHFFFAOYSA-N 1 2 293.370 3.362 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Cl)cn1)C1CCCC1 ZINC001136929132 803660629 /nfs/dbraw/zinc/66/06/29/803660629.db2.gz BMMRIPIHHBNTTI-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Cl)cn1)C1CCCC1 ZINC001136929132 803660630 /nfs/dbraw/zinc/66/06/30/803660630.db2.gz BMMRIPIHHBNTTI-UHFFFAOYSA-N 1 2 263.772 3.393 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1F ZINC001137474150 803735561 /nfs/dbraw/zinc/73/55/61/803735561.db2.gz KMWFFRDSMJIBOY-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1F ZINC001137474150 803735562 /nfs/dbraw/zinc/73/55/62/803735562.db2.gz KMWFFRDSMJIBOY-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001138402290 803919930 /nfs/dbraw/zinc/91/99/30/803919930.db2.gz LYKNPXDRHHMRRS-CYBMUJFWSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001138402290 803919938 /nfs/dbraw/zinc/91/99/38/803919938.db2.gz LYKNPXDRHHMRRS-CYBMUJFWSA-N 1 2 253.349 3.212 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001139031000 804114540 /nfs/dbraw/zinc/11/45/40/804114540.db2.gz OPRFQBSAZBPSMW-INIZCTEOSA-N 1 2 295.386 3.379 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC001139031000 804114544 /nfs/dbraw/zinc/11/45/44/804114544.db2.gz OPRFQBSAZBPSMW-INIZCTEOSA-N 1 2 295.386 3.379 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1C#N ZINC001139722831 804267448 /nfs/dbraw/zinc/26/74/48/804267448.db2.gz IGYDHLKILHDKLJ-CQSZACIVSA-N 1 2 282.309 3.436 20 30 CGEDLO Cc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1C#N ZINC001139722831 804267454 /nfs/dbraw/zinc/26/74/54/804267454.db2.gz IGYDHLKILHDKLJ-CQSZACIVSA-N 1 2 282.309 3.436 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)nc1)Cc1cccc(F)c1F ZINC001140546484 804457696 /nfs/dbraw/zinc/45/76/96/804457696.db2.gz KYOPVORBVWIYCU-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(F)c1F ZINC001140546484 804457700 /nfs/dbraw/zinc/45/77/00/804457700.db2.gz KYOPVORBVWIYCU-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ncc1F ZINC001140611998 804475773 /nfs/dbraw/zinc/47/57/73/804475773.db2.gz YXDKCKUYIDTJEN-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ncc1F ZINC001140611998 804475776 /nfs/dbraw/zinc/47/57/76/804475776.db2.gz YXDKCKUYIDTJEN-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2F)C1 ZINC001140702240 804491956 /nfs/dbraw/zinc/49/19/56/804491956.db2.gz KOOFUDACOVIIBK-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2F)C1 ZINC001140702240 804491961 /nfs/dbraw/zinc/49/19/61/804491961.db2.gz KOOFUDACOVIIBK-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO N#Cc1c(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001140752851 804504448 /nfs/dbraw/zinc/50/44/48/804504448.db2.gz QFPFFDSWYUXAPT-PHIMTYICSA-N 1 2 298.283 3.314 20 30 CGEDLO N#Cc1c(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001140752851 804504451 /nfs/dbraw/zinc/50/44/51/804504451.db2.gz QFPFFDSWYUXAPT-PHIMTYICSA-N 1 2 298.283 3.314 20 30 CGEDLO N#CCC[N@@H+](Cc1c[nH]nc1C(F)(F)F)C1CCCC1 ZINC001141014744 804570870 /nfs/dbraw/zinc/57/08/70/804570870.db2.gz DSVNMXZHGOSQDG-UHFFFAOYSA-N 1 2 286.301 3.087 20 30 CGEDLO N#CCC[N@H+](Cc1c[nH]nc1C(F)(F)F)C1CCCC1 ZINC001141014744 804570873 /nfs/dbraw/zinc/57/08/73/804570873.db2.gz DSVNMXZHGOSQDG-UHFFFAOYSA-N 1 2 286.301 3.087 20 30 CGEDLO C[N@H+](CCC#N)Cc1c[nH]c2cc(Br)ccc12 ZINC001142388513 804721115 /nfs/dbraw/zinc/72/11/15/804721115.db2.gz YQQQWGBEOJHICD-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cc(Br)ccc12 ZINC001142388513 804721116 /nfs/dbraw/zinc/72/11/16/804721116.db2.gz YQQQWGBEOJHICD-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922360 804784384 /nfs/dbraw/zinc/78/43/84/804784384.db2.gz FDXWVQBDNWBCAV-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922360 804784391 /nfs/dbraw/zinc/78/43/91/804784391.db2.gz FDXWVQBDNWBCAV-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2occc2Br)CC1 ZINC001143131640 804804662 /nfs/dbraw/zinc/80/46/62/804804662.db2.gz WQLZBTXXOBZUGH-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2occc2Br)CC1 ZINC001143131640 804804667 /nfs/dbraw/zinc/80/46/67/804804667.db2.gz WQLZBTXXOBZUGH-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1F ZINC001143172984 804813929 /nfs/dbraw/zinc/81/39/29/804813929.db2.gz IZCIPIKZCKBAHV-ZDUSSCGKSA-N 1 2 284.256 3.068 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1F ZINC001143172984 804813932 /nfs/dbraw/zinc/81/39/32/804813932.db2.gz IZCIPIKZCKBAHV-ZDUSSCGKSA-N 1 2 284.256 3.068 20 30 CGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(CF)CC2)c1F ZINC001143173143 804815416 /nfs/dbraw/zinc/81/54/16/804815416.db2.gz QIVRZKSXORLZOX-UHFFFAOYSA-N 1 2 268.282 3.018 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001143719318 804887019 /nfs/dbraw/zinc/88/70/19/804887019.db2.gz VVVQXSQFCNQYGB-BLLLJJGKSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001143719318 804887028 /nfs/dbraw/zinc/88/70/28/804887028.db2.gz VVVQXSQFCNQYGB-BLLLJJGKSA-N 1 2 290.794 3.213 20 30 CGEDLO CCOc1ccc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143937268 804911799 /nfs/dbraw/zinc/91/17/99/804911799.db2.gz HGNNUYPUJTVLSE-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001143937268 804911805 /nfs/dbraw/zinc/91/18/05/804911805.db2.gz HGNNUYPUJTVLSE-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(O)cc1C(F)(F)F ZINC001144385593 804979052 /nfs/dbraw/zinc/97/90/52/804979052.db2.gz AJXICMUNMTYWDP-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(O)cc1C(F)(F)F ZINC001144385593 804979058 /nfs/dbraw/zinc/97/90/58/804979058.db2.gz AJXICMUNMTYWDP-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO CCCCCCCNC(=S)N(CC)CCn1cc[nH+]c1 ZINC001249640329 805197617 /nfs/dbraw/zinc/19/76/17/805197617.db2.gz JUIUBXWGIOJBJI-UHFFFAOYSA-N 1 2 296.484 3.050 20 30 CGEDLO CC[C@H](C#N)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257013215 807028189 /nfs/dbraw/zinc/02/81/89/807028189.db2.gz DGGNGDYVZHGHLF-AQFXKWCLSA-N 1 2 267.376 3.476 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(C)(F)F)cc2)cc[nH+]1 ZINC001212673211 815099288 /nfs/dbraw/zinc/09/92/88/815099288.db2.gz GJDCOAHFOIFJQH-UHFFFAOYSA-N 1 2 258.271 3.340 20 30 CGEDLO N#Cc1ccc(O)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212697683 815106515 /nfs/dbraw/zinc/10/65/15/815106515.db2.gz NHOCLOUVPQFPQR-UHFFFAOYSA-N 1 2 290.326 3.252 20 30 CGEDLO CC1(C)CCC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001258284828 807395738 /nfs/dbraw/zinc/39/57/38/807395738.db2.gz IMMMQPHWOINEEL-QWHCGFSZSA-N 1 2 265.422 3.229 20 30 CGEDLO CC1(C)CCC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001258284828 807395746 /nfs/dbraw/zinc/39/57/46/807395746.db2.gz IMMMQPHWOINEEL-QWHCGFSZSA-N 1 2 265.422 3.229 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CC1CC1 ZINC001258450180 807457081 /nfs/dbraw/zinc/45/70/81/807457081.db2.gz IRJOPBRHJNISIN-PBHICJAKSA-N 1 2 287.403 3.105 20 30 CGEDLO CC1(C)COC2(CCC([NH2+]C3(C#N)CCCC3)CC2)OC1 ZINC001258519549 807483272 /nfs/dbraw/zinc/48/32/72/807483272.db2.gz KRMXWXZNEOVOFD-UHFFFAOYSA-N 1 2 292.423 3.124 20 30 CGEDLO CCCC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001258529911 807485936 /nfs/dbraw/zinc/48/59/36/807485936.db2.gz FSRIPQNAJRRGHF-UHFFFAOYSA-N 1 2 250.386 3.008 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC001258721775 807570377 /nfs/dbraw/zinc/57/03/77/807570377.db2.gz FQLMFDSKTHQKMG-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(C(C)C)CC1)C(=O)OCC ZINC001258801423 807622980 /nfs/dbraw/zinc/62/29/80/807622980.db2.gz ZXAUPORBUJMCOR-BJDYSFLHSA-N 1 2 279.424 3.299 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170104214 807759590 /nfs/dbraw/zinc/75/95/90/807759590.db2.gz KCRZETCSKQUTJT-OIISXLGYSA-N 1 2 287.403 3.105 20 30 CGEDLO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001170378892 807832716 /nfs/dbraw/zinc/83/27/16/807832716.db2.gz MYGAHQWPPIIOMO-HPZPOOBXSA-N 1 2 290.357 3.382 20 30 CGEDLO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001170378892 807832723 /nfs/dbraw/zinc/83/27/23/807832723.db2.gz MYGAHQWPPIIOMO-HPZPOOBXSA-N 1 2 290.357 3.382 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381716 808040010 /nfs/dbraw/zinc/04/00/10/808040010.db2.gz GKSYEIOQNUWPLR-XJKSGUPXSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381716 808040012 /nfs/dbraw/zinc/04/00/12/808040012.db2.gz GKSYEIOQNUWPLR-XJKSGUPXSA-N 1 2 276.330 3.058 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H](C)C1CCCCC1 ZINC001171799211 808143242 /nfs/dbraw/zinc/14/32/42/808143242.db2.gz MVPBFCTVUHFIEH-HNNXBMFYSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](C)C1CCCCC1 ZINC001171799211 808143245 /nfs/dbraw/zinc/14/32/45/808143245.db2.gz MVPBFCTVUHFIEH-HNNXBMFYSA-N 1 2 293.451 3.480 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCC1CCCC1 ZINC001267233045 808387744 /nfs/dbraw/zinc/38/77/44/808387744.db2.gz PEOPAJIHBUYVFI-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCC1CCCC1 ZINC001267233045 808387751 /nfs/dbraw/zinc/38/77/51/808387751.db2.gz PEOPAJIHBUYVFI-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001172561682 808387864 /nfs/dbraw/zinc/38/78/64/808387864.db2.gz XXCJLTJMEWNZAZ-MTNOOBJLSA-N 1 2 299.414 3.420 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172646561 808407757 /nfs/dbraw/zinc/40/77/57/808407757.db2.gz BVAKWCPPEOUVCI-OAHLLOKOSA-N 1 2 252.402 3.250 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721234 808419063 /nfs/dbraw/zinc/41/90/63/808419063.db2.gz DJQHSWZBCQMFQD-NHYWBVRUSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172721234 808419067 /nfs/dbraw/zinc/41/90/67/808419067.db2.gz DJQHSWZBCQMFQD-NHYWBVRUSA-N 1 2 260.768 3.043 20 30 CGEDLO CCCOC1CCC([NH2+]C(C#N)(CC)CC)CC1 ZINC001173096385 808508558 /nfs/dbraw/zinc/50/85/58/808508558.db2.gz NVVNSXICVDNNHA-UHFFFAOYSA-N 1 2 252.402 3.396 20 30 CGEDLO Cc1cnc(C#N)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213086622 815230155 /nfs/dbraw/zinc/23/01/55/815230155.db2.gz UNJQRGGFXQIARQ-UHFFFAOYSA-N 1 2 275.315 3.395 20 30 CGEDLO C#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001174521614 809060351 /nfs/dbraw/zinc/06/03/51/809060351.db2.gz AGBZANASUZWXMZ-UHFFFAOYSA-N 1 2 278.359 3.192 20 30 CGEDLO N#Cc1cccc(N)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174525435 809060650 /nfs/dbraw/zinc/06/06/50/809060650.db2.gz YVIOTVIDPIXPII-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CCCC)C(C)C ZINC001278894552 809154235 /nfs/dbraw/zinc/15/42/35/809154235.db2.gz UHBIEBPJQPRWAS-UHFFFAOYSA-N 1 2 274.836 3.098 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CCCC)C(C)C ZINC001278894552 809154237 /nfs/dbraw/zinc/15/42/37/809154237.db2.gz UHBIEBPJQPRWAS-UHFFFAOYSA-N 1 2 274.836 3.098 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)c(N)c1 ZINC001213349927 815268248 /nfs/dbraw/zinc/26/82/48/815268248.db2.gz XLCIVNYNDVHYEQ-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC)c(C(F)(F)F)c2)cc[nH+]1 ZINC001175069813 809259764 /nfs/dbraw/zinc/25/97/64/809259764.db2.gz XNQKJNASJJNFEU-UHFFFAOYSA-N 1 2 292.260 3.256 20 30 CGEDLO CCCc1cc[nH+]c(Nc2ccc(N)c(C#N)c2)c1 ZINC001213434196 815281716 /nfs/dbraw/zinc/28/17/16/815281716.db2.gz YMXDDWPGVOOWJR-UHFFFAOYSA-N 1 2 252.321 3.232 20 30 CGEDLO N#Cc1cc(Nc2ccccc2-n2cc[nH+]c2)ccc1N ZINC001213435632 815281874 /nfs/dbraw/zinc/28/18/74/815281874.db2.gz BARCOVPFSCMFMA-UHFFFAOYSA-N 1 2 275.315 3.070 20 30 CGEDLO CCCOc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001175599470 809469613 /nfs/dbraw/zinc/46/96/13/809469613.db2.gz GMYLWUJPQJOXME-UHFFFAOYSA-N 1 2 285.347 3.115 20 30 CGEDLO Cc1cc(C)c(Nc2nc(Cl)ccc2C#N)c[nH+]1 ZINC001213508375 815293699 /nfs/dbraw/zinc/29/36/99/815293699.db2.gz RLVRIUWZPOUMJO-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO N#Cc1ccc(Cl)nc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749482 809757755 /nfs/dbraw/zinc/75/77/55/809757755.db2.gz FXMNMRIDTSRPGR-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO Cc1ncc(C#N)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750496 809758122 /nfs/dbraw/zinc/75/81/22/809758122.db2.gz WHNZVZUEAVYJLA-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C=C(Br)C[N@@H+](C)CCc1ccc(OCC)cc1 ZINC001176833450 809763676 /nfs/dbraw/zinc/76/36/76/809763676.db2.gz WTPFKMPBWIZYQA-UHFFFAOYSA-N 1 2 298.224 3.468 20 30 CGEDLO C=C(Br)C[N@H+](C)CCc1ccc(OCC)cc1 ZINC001176833450 809763678 /nfs/dbraw/zinc/76/36/78/809763678.db2.gz WTPFKMPBWIZYQA-UHFFFAOYSA-N 1 2 298.224 3.468 20 30 CGEDLO N#Cc1cc(O)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964560 810225986 /nfs/dbraw/zinc/22/59/86/810225986.db2.gz OAUIGLMCELAYHB-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cc(C)ccc2C)CC1 ZINC001198467675 811507385 /nfs/dbraw/zinc/50/73/85/811507385.db2.gz OTOYOTDNNKUZKB-KRWDZBQOSA-N 1 2 287.403 3.210 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844405 811547216 /nfs/dbraw/zinc/54/72/16/811547216.db2.gz LNHWGVOYDSTUPP-GWCFXTLKSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844405 811547222 /nfs/dbraw/zinc/54/72/22/811547222.db2.gz LNHWGVOYDSTUPP-GWCFXTLKSA-N 1 2 262.303 3.015 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2cnc(C#N)c(F)c2)cc1 ZINC001203065276 812232176 /nfs/dbraw/zinc/23/21/76/812232176.db2.gz HGKJRCRNMUFILF-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2cnc(C#N)c(F)c2)cc1 ZINC001203065276 812232181 /nfs/dbraw/zinc/23/21/81/812232181.db2.gz HGKJRCRNMUFILF-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)cnc2OC(C)C)cc[nH+]1 ZINC001203309888 812307231 /nfs/dbraw/zinc/30/72/31/812307231.db2.gz HHOSOGWMHVYHBB-UHFFFAOYSA-N 1 2 287.750 3.064 20 30 CGEDLO CNc1ccc(Nc2ccc(C#N)c(F)c2F)c[nH+]1 ZINC001203459053 812367418 /nfs/dbraw/zinc/36/74/18/812367418.db2.gz WTEPURAFZROHHZ-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO C#Cc1nccnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203717366 812440201 /nfs/dbraw/zinc/44/02/01/812440201.db2.gz AMCFWTOWZPRMFG-UHFFFAOYSA-N 1 2 278.359 3.192 20 30 CGEDLO Cc1ccc(-c2c[nH+]c(N3CCOCC3)cc2C)c(C#N)c1 ZINC001242591589 823049783 /nfs/dbraw/zinc/04/97/83/823049783.db2.gz BVIOZLLJWYUNNA-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO CCCCCCC/C=C/C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC001208118499 813696728 /nfs/dbraw/zinc/69/67/28/813696728.db2.gz JOQRIQPSKKDWOS-CMDGGOBGSA-N 1 2 292.467 3.457 20 30 CGEDLO N#Cc1cc(Nc2[nH+]cccc2N2CCCC2)ccc1O ZINC001210531284 814512196 /nfs/dbraw/zinc/51/21/96/814512196.db2.gz WMQSAEHLIOAVNX-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO C[C@@H]1CC(=O)C=C(Nc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001210777287 814622949 /nfs/dbraw/zinc/62/29/49/814622949.db2.gz WMOMZRYRVASCJM-ZDUSSCGKSA-N 1 2 281.359 3.226 20 30 CGEDLO CC#Cc1cncc(-c2ccc(C(=[NH2+])OCC)cc2)c1 ZINC001242941196 823181563 /nfs/dbraw/zinc/18/15/63/823181563.db2.gz CQOKIWGXPBAMLI-UHFFFAOYSA-N 1 2 264.328 3.482 20 30 CGEDLO C=CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC001219009642 816261893 /nfs/dbraw/zinc/26/18/93/816261893.db2.gz HYIOPXGNGFMRPU-UHFFFAOYSA-N 1 2 261.369 3.435 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cccc(Cl)c1O ZINC001231911428 818208670 /nfs/dbraw/zinc/20/86/70/818208670.db2.gz FBOGOBPPUHJOPV-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cccc(Cl)c1O ZINC001231911428 818208678 /nfs/dbraw/zinc/20/86/78/818208678.db2.gz FBOGOBPPUHJOPV-UHFFFAOYSA-N 1 2 252.745 3.171 20 30 CGEDLO CCCOc1ncccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001231867006 818191397 /nfs/dbraw/zinc/19/13/97/818191397.db2.gz OSUHXJJFXZETLZ-UHFFFAOYSA-N 1 2 295.386 3.374 20 30 CGEDLO CCCOc1ncccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001231867006 818191410 /nfs/dbraw/zinc/19/14/10/818191410.db2.gz OSUHXJJFXZETLZ-UHFFFAOYSA-N 1 2 295.386 3.374 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cc(F)ccn2)CC1 ZINC001232490365 818370787 /nfs/dbraw/zinc/37/07/87/818370787.db2.gz IEACMBQQLJYRTI-UHFFFAOYSA-N 1 2 295.361 3.278 20 30 CGEDLO CC(C)O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232609705 818394650 /nfs/dbraw/zinc/39/46/50/818394650.db2.gz QNXRQZRCMBKBDZ-HNNXBMFYSA-N 1 2 278.783 3.211 20 30 CGEDLO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232609705 818394657 /nfs/dbraw/zinc/39/46/57/818394657.db2.gz QNXRQZRCMBKBDZ-HNNXBMFYSA-N 1 2 278.783 3.211 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1F)Cc1cc(C#N)ccc1O ZINC001232678065 818417714 /nfs/dbraw/zinc/41/77/14/818417714.db2.gz PEKFJEDLDDIDGO-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc(C#N)ccc1O ZINC001232678065 818417717 /nfs/dbraw/zinc/41/77/17/818417717.db2.gz PEKFJEDLDDIDGO-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccc(O)c2)c(C#N)c1 ZINC001232961590 818484245 /nfs/dbraw/zinc/48/42/45/818484245.db2.gz AFHSZVDJZPJWQQ-UHFFFAOYSA-N 1 2 266.344 3.204 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2)c(C#N)c1 ZINC001232961590 818484248 /nfs/dbraw/zinc/48/42/48/818484248.db2.gz AFHSZVDJZPJWQQ-UHFFFAOYSA-N 1 2 266.344 3.204 20 30 CGEDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C ZINC001233082783 818521096 /nfs/dbraw/zinc/52/10/96/818521096.db2.gz ZNZBUBUGNHINRT-UHFFFAOYSA-N 1 2 288.391 3.030 20 30 CGEDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C ZINC001233082783 818521103 /nfs/dbraw/zinc/52/11/03/818521103.db2.gz ZNZBUBUGNHINRT-UHFFFAOYSA-N 1 2 288.391 3.030 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001233343570 818590379 /nfs/dbraw/zinc/59/03/79/818590379.db2.gz RSRBEUJURXHFNR-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001233343570 818590389 /nfs/dbraw/zinc/59/03/89/818590389.db2.gz RSRBEUJURXHFNR-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359508 818598254 /nfs/dbraw/zinc/59/82/54/818598254.db2.gz ZNCCEEYOEKKTRL-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359508 818598257 /nfs/dbraw/zinc/59/82/57/818598257.db2.gz ZNCCEEYOEKKTRL-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001233387056 818606166 /nfs/dbraw/zinc/60/61/66/818606166.db2.gz SAMQVTCBGDFRIU-UHFFFAOYSA-N 1 2 284.746 3.433 20 30 CGEDLO N#Cc1ccc(C[N@H+]2Cc3ccc(Cl)cc3C2)c(O)c1 ZINC001233387056 818606169 /nfs/dbraw/zinc/60/61/69/818606169.db2.gz SAMQVTCBGDFRIU-UHFFFAOYSA-N 1 2 284.746 3.433 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1O ZINC001233400337 818610429 /nfs/dbraw/zinc/61/04/29/818610429.db2.gz DVSVHHWGFZUOJT-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1O ZINC001233400337 818610435 /nfs/dbraw/zinc/61/04/35/818610435.db2.gz DVSVHHWGFZUOJT-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235671233 819133998 /nfs/dbraw/zinc/13/39/98/819133998.db2.gz RIIZXIQQRONOBW-UHFFFAOYSA-N 1 2 288.269 3.026 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235671233 819134004 /nfs/dbraw/zinc/13/40/04/819134004.db2.gz RIIZXIQQRONOBW-UHFFFAOYSA-N 1 2 288.269 3.026 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)c(C#N)c2)cc1C#N ZINC001235895947 819205188 /nfs/dbraw/zinc/20/51/88/819205188.db2.gz VAYCQYJAWROMDM-SRZZPIQSSA-N 1 2 292.317 3.457 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccnc2c(Cl)cccc12 ZINC001237143057 819676205 /nfs/dbraw/zinc/67/62/05/819676205.db2.gz LBCONMFXTAHEDD-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccnc2c(Cl)cccc12 ZINC001237143057 819676206 /nfs/dbraw/zinc/67/62/06/819676206.db2.gz LBCONMFXTAHEDD-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1C(F)F ZINC001237278770 819716492 /nfs/dbraw/zinc/71/64/92/819716492.db2.gz BUDQRRWLZOXIQC-OAHLLOKOSA-N 1 2 280.318 3.368 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1C(F)F ZINC001237278770 819716496 /nfs/dbraw/zinc/71/64/96/819716496.db2.gz BUDQRRWLZOXIQC-OAHLLOKOSA-N 1 2 280.318 3.368 20 30 CGEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1C ZINC001238075633 819927375 /nfs/dbraw/zinc/92/73/75/819927375.db2.gz LLRKFSSZBOVUQJ-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1C ZINC001238075633 819927382 /nfs/dbraw/zinc/92/73/82/819927382.db2.gz LLRKFSSZBOVUQJ-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001238478989 820017736 /nfs/dbraw/zinc/01/77/36/820017736.db2.gz YKLCVHXVSXCYOG-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238478989 820017745 /nfs/dbraw/zinc/01/77/45/820017745.db2.gz YKLCVHXVSXCYOG-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO CCc1cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)ccc1C#N ZINC001238768048 820113309 /nfs/dbraw/zinc/11/33/09/820113309.db2.gz DUAJKIGXDNZAMZ-INIZCTEOSA-N 1 2 296.374 3.149 20 30 CGEDLO CCc1cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)ccc1C#N ZINC001238768048 820113313 /nfs/dbraw/zinc/11/33/13/820113313.db2.gz DUAJKIGXDNZAMZ-INIZCTEOSA-N 1 2 296.374 3.149 20 30 CGEDLO N#CCc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001243656278 823476414 /nfs/dbraw/zinc/47/64/14/823476414.db2.gz AOBYTBHRIGCZAW-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO N#Cc1ccc(OC(F)F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240219080 820894523 /nfs/dbraw/zinc/89/45/23/820894523.db2.gz YAIOZUCBWOLTPT-UHFFFAOYSA-N 1 2 285.253 3.474 20 30 CGEDLO COc1cc(-c2ccc3[nH+]ccn3c2)ccc1CC#N ZINC001240219398 820894874 /nfs/dbraw/zinc/89/48/74/820894874.db2.gz KLHXDJLHIRNCNP-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO Cc1nc(-c2ccn3cc[nH+]c3c2)c(C#N)c(C)c1C ZINC001240503149 821099122 /nfs/dbraw/zinc/09/91/22/821099122.db2.gz HUZMHIUNRGSGJY-UHFFFAOYSA-N 1 2 262.316 3.193 20 30 CGEDLO COc1cccc(-c2ccccc2Cn2cc[nH+]c2)c1C#N ZINC001242300969 822944526 /nfs/dbraw/zinc/94/45/26/822944526.db2.gz WZABWRTYCOKFPT-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO Cc1cc(-c2ccc(F)cc2C#N)cn2cc[nH+]c12 ZINC001242582762 823043974 /nfs/dbraw/zinc/04/39/74/823043974.db2.gz KCPQSLRHBNXXAC-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1csc(C#N)c1 ZINC001352017406 937032097 /nfs/dbraw/zinc/03/20/97/937032097.db2.gz UYGUNQWPYNVCME-LBPRGKRZSA-N 1 2 284.384 3.403 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1csc(C#N)c1 ZINC001352017406 937032099 /nfs/dbraw/zinc/03/20/99/937032099.db2.gz UYGUNQWPYNVCME-LBPRGKRZSA-N 1 2 284.384 3.403 20 30 CGEDLO CC(F)(F)CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000930922137 928628026 /nfs/dbraw/zinc/62/80/26/928628026.db2.gz CMFWGBJZNHBTJU-MRXNPFEDSA-N 1 2 293.361 3.374 20 30 CGEDLO CC(F)(F)CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000930922137 928628035 /nfs/dbraw/zinc/62/80/35/928628035.db2.gz CMFWGBJZNHBTJU-MRXNPFEDSA-N 1 2 293.361 3.374 20 30 CGEDLO C=CCCCCC[NH2+][C@@]1(C(=O)OC)C[C@H](OCC)C1(C)C ZINC001459967469 937508458 /nfs/dbraw/zinc/50/84/58/937508458.db2.gz WYGPXWPGRDWMCI-WMLDXEAASA-N 1 2 297.439 3.069 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1c(F)cccc1F ZINC001460808769 937546070 /nfs/dbraw/zinc/54/60/70/937546070.db2.gz IPQNMMQZNJRNSY-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO N#Cc1ncc(Nc2cccc3cc[nH+]cc32)cc1F ZINC001203061512 931961824 /nfs/dbraw/zinc/96/18/24/931961824.db2.gz VPCNHBGYYIUAAZ-UHFFFAOYSA-N 1 2 264.263 3.384 20 30 CGEDLO Cc1nc(NC(C)(C)c2ccc(C#N)cc2)cc[nH+]1 ZINC001165753207 931995362 /nfs/dbraw/zinc/99/53/62/931995362.db2.gz VTIBXMLFJHXVSN-UHFFFAOYSA-N 1 2 252.321 3.004 20 30 CGEDLO CN(C)c1ccc(C#N)cc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001461607782 937588084 /nfs/dbraw/zinc/58/80/84/937588084.db2.gz NBAITGVBFIVKFS-UHFFFAOYSA-N 1 2 291.358 3.113 20 30 CGEDLO CCCn1c[nH+]cc1CN(CCC#N)CC(CC)CC ZINC001461900318 937605279 /nfs/dbraw/zinc/60/52/79/937605279.db2.gz QNDQJQUHKYZWFO-UHFFFAOYSA-N 1 2 276.428 3.445 20 30 CGEDLO C=C1CCC(C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001303608506 932829326 /nfs/dbraw/zinc/82/93/26/932829326.db2.gz IRFWMQVEJBLGQH-OAHLLOKOSA-N 1 2 287.407 3.436 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC001308141514 933056436 /nfs/dbraw/zinc/05/64/36/933056436.db2.gz KRFYAZMFQIJIDZ-LBPRGKRZSA-N 1 2 256.374 3.284 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2s1 ZINC001308141514 933056442 /nfs/dbraw/zinc/05/64/42/933056442.db2.gz KRFYAZMFQIJIDZ-LBPRGKRZSA-N 1 2 256.374 3.284 20 30 CGEDLO C#CC[N@H+](Cc1ncc(C(C)(C)C)s1)C(C)C ZINC001462630683 937655392 /nfs/dbraw/zinc/65/53/92/937655392.db2.gz VUSHWSNARIXKDD-UHFFFAOYSA-N 1 2 250.411 3.284 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(C(C)(C)C)s1)C(C)C ZINC001462630683 937655395 /nfs/dbraw/zinc/65/53/95/937655395.db2.gz VUSHWSNARIXKDD-UHFFFAOYSA-N 1 2 250.411 3.284 20 30 CGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001316946025 933500130 /nfs/dbraw/zinc/50/01/30/933500130.db2.gz WDXAXRGJTGBPOU-HNNXBMFYSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001316946025 933500137 /nfs/dbraw/zinc/50/01/37/933500137.db2.gz WDXAXRGJTGBPOU-HNNXBMFYSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H](CC)CCCC)C1 ZINC001318105096 933686292 /nfs/dbraw/zinc/68/62/92/933686292.db2.gz DQODLVLEMPOTFF-CQSZACIVSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001318299521 933706842 /nfs/dbraw/zinc/70/68/42/933706842.db2.gz DHMSGEQTWRBLIJ-KGLIPLIRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001318299521 933706845 /nfs/dbraw/zinc/70/68/45/933706845.db2.gz DHMSGEQTWRBLIJ-KGLIPLIRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](CC)Cc1ccccc1)C(=O)OCC ZINC001321965925 934227800 /nfs/dbraw/zinc/22/78/00/934227800.db2.gz GFHGGRKSVUEYRL-HZPDHXFCSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OCC ZINC001331669119 935402459 /nfs/dbraw/zinc/40/24/59/935402459.db2.gz CEDUSDLVKOPFFY-GOEBONIOSA-N 1 2 275.392 3.196 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487483 935540029 /nfs/dbraw/zinc/54/00/29/935540029.db2.gz IANOSOHEIKPEOZ-CABCVRRESA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487483 935540032 /nfs/dbraw/zinc/54/00/32/935540032.db2.gz IANOSOHEIKPEOZ-CABCVRRESA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487483 935540034 /nfs/dbraw/zinc/54/00/34/935540034.db2.gz IANOSOHEIKPEOZ-CABCVRRESA-N 1 2 299.422 3.156 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n[nH]1 ZINC001333487483 935540035 /nfs/dbraw/zinc/54/00/35/935540035.db2.gz IANOSOHEIKPEOZ-CABCVRRESA-N 1 2 299.422 3.156 20 30 CGEDLO CCn1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC001474357181 937854275 /nfs/dbraw/zinc/85/42/75/937854275.db2.gz BSJKADXLEBOARR-UHFFFAOYSA-N 1 2 292.386 3.064 20 30 CGEDLO CCn1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC001474357181 937854276 /nfs/dbraw/zinc/85/42/76/937854276.db2.gz BSJKADXLEBOARR-UHFFFAOYSA-N 1 2 292.386 3.064 20 30 CGEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC001476303826 937887770 /nfs/dbraw/zinc/88/77/70/937887770.db2.gz SMQKCPHZACSYKI-GJZGRUSLSA-N 1 2 287.407 3.377 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001494315832 937954378 /nfs/dbraw/zinc/95/43/78/937954378.db2.gz MLMACBXRJDMZGN-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001494315832 937954379 /nfs/dbraw/zinc/95/43/79/937954379.db2.gz MLMACBXRJDMZGN-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1occc1C(C)C ZINC001505986148 937988276 /nfs/dbraw/zinc/98/82/76/937988276.db2.gz QOODJBODZJOKBS-LBPRGKRZSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1occc1C(C)C ZINC001505986148 937988277 /nfs/dbraw/zinc/98/82/77/937988277.db2.gz QOODJBODZJOKBS-LBPRGKRZSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001557078767 938207524 /nfs/dbraw/zinc/20/75/24/938207524.db2.gz JCWSOQUEESXEAU-QGZVFWFLSA-N 1 2 280.371 3.284 20 30 CGEDLO N#Cc1cccc(Cl)c1SCc1ccc[nH+]c1N ZINC001559459047 938226844 /nfs/dbraw/zinc/22/68/44/938226844.db2.gz GPDCZKDHAWXKNI-UHFFFAOYSA-N 1 2 275.764 3.481 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(C#N)ccn2)sc1C ZINC001559632068 938231463 /nfs/dbraw/zinc/23/14/63/938231463.db2.gz ZQMZUWVJIJRFRO-UHFFFAOYSA-N 1 2 286.404 3.052 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(=O)OCC ZINC001560967808 938287201 /nfs/dbraw/zinc/28/72/01/938287201.db2.gz PSUCFFGLUXDZRN-IGQOVBAYSA-N 1 2 285.815 3.229 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(C#N)ccc1F ZINC000030208107 957840533 /nfs/dbraw/zinc/84/05/33/957840533.db2.gz CMGVICALZLRAID-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(C#N)ccc1F ZINC000030208107 957840543 /nfs/dbraw/zinc/84/05/43/957840543.db2.gz CMGVICALZLRAID-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC)CCCC2)[C@H]1C ZINC001566108304 960880258 /nfs/dbraw/zinc/88/02/58/960880258.db2.gz SPHCHDCENKMYBN-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCC2)[C@H]1C ZINC001566108304 960880269 /nfs/dbraw/zinc/88/02/69/960880269.db2.gz SPHCHDCENKMYBN-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001566925946 961056208 /nfs/dbraw/zinc/05/62/08/961056208.db2.gz SQFPRKIABCDRMT-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001566925946 961056230 /nfs/dbraw/zinc/05/62/30/961056230.db2.gz SQFPRKIABCDRMT-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001566918178 961058997 /nfs/dbraw/zinc/05/89/97/961058997.db2.gz LQROKUTWNLKDAE-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001566918178 961059019 /nfs/dbraw/zinc/05/90/19/961059019.db2.gz LQROKUTWNLKDAE-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000124364337 187134353 /nfs/dbraw/zinc/13/43/53/187134353.db2.gz WRDDMVBXUZDRNI-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000273848191 192333691 /nfs/dbraw/zinc/33/36/91/192333691.db2.gz JEGHCZRTEIJDEL-ZETCQYMHSA-N 1 2 293.567 3.386 20 30 CGEDLO CCn1nc(C)c(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000294972469 199277239 /nfs/dbraw/zinc/27/72/39/199277239.db2.gz WVMSENOWUPFWPW-AWEZNQCLSA-N 1 2 297.406 3.061 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000294972469 199277241 /nfs/dbraw/zinc/27/72/41/199277241.db2.gz WVMSENOWUPFWPW-AWEZNQCLSA-N 1 2 297.406 3.061 20 30 CGEDLO CCc1c[nH+]ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356147727 529502651 /nfs/dbraw/zinc/50/26/51/529502651.db2.gz HMPXVOZCBLYZFQ-MRXNPFEDSA-N 1 2 293.370 3.092 20 30 CGEDLO CCOc1ccc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000591818011 346938796 /nfs/dbraw/zinc/93/87/96/346938796.db2.gz WNDHCMQNCGSQAT-CYBMUJFWSA-N 1 2 281.359 3.255 20 30 CGEDLO CCc1cnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000591853643 346942475 /nfs/dbraw/zinc/94/24/75/346942475.db2.gz FWXBRBSNNQPRMQ-GFCCVEGCSA-N 1 2 269.348 3.302 20 30 CGEDLO CCc1cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000591853643 346942479 /nfs/dbraw/zinc/94/24/79/346942479.db2.gz FWXBRBSNNQPRMQ-GFCCVEGCSA-N 1 2 269.348 3.302 20 30 CGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccncc2C#N)s1 ZINC000592069961 346959067 /nfs/dbraw/zinc/95/90/67/346959067.db2.gz CEQGZZBJFUICNE-NSHDSACASA-N 1 2 286.404 3.220 20 30 CGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccncc2C#N)s1 ZINC000592069961 346959072 /nfs/dbraw/zinc/95/90/72/346959072.db2.gz CEQGZZBJFUICNE-NSHDSACASA-N 1 2 286.404 3.220 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000592523713 346995896 /nfs/dbraw/zinc/99/58/96/346995896.db2.gz RRCJIUOUZGTCKF-UHFFFAOYSA-N 1 2 295.390 3.460 20 30 CGEDLO CC(C)c1noc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046530503 345041064 /nfs/dbraw/zinc/04/10/64/345041064.db2.gz XPENGGVSCPYLGD-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1noc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000046530503 345041067 /nfs/dbraw/zinc/04/10/67/345041067.db2.gz XPENGGVSCPYLGD-GFCCVEGCSA-N 1 2 284.363 3.258 20 30 CGEDLO N#CCC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000051406095 345090088 /nfs/dbraw/zinc/09/00/88/345090088.db2.gz IRAHVDHNJQALEN-NSHDSACASA-N 1 2 266.747 3.400 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000051406095 345090092 /nfs/dbraw/zinc/09/00/92/345090092.db2.gz IRAHVDHNJQALEN-NSHDSACASA-N 1 2 266.747 3.400 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000051766470 345092855 /nfs/dbraw/zinc/09/28/55/345092855.db2.gz QEQFRVWPCKQTBC-OAHLLOKOSA-N 1 2 284.403 3.028 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000058003129 345192730 /nfs/dbraw/zinc/19/27/30/345192730.db2.gz UVDFWDFNWVCSPL-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000058003129 345192733 /nfs/dbraw/zinc/19/27/33/345192733.db2.gz UVDFWDFNWVCSPL-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000076152691 345535332 /nfs/dbraw/zinc/53/53/32/345535332.db2.gz SGIZZIGEKIUDLO-HOTGVXAUSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000076152691 345535333 /nfs/dbraw/zinc/53/53/33/345535333.db2.gz SGIZZIGEKIUDLO-HOTGVXAUSA-N 1 2 281.359 3.255 20 30 CGEDLO C=CC[N@@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000075655591 345518000 /nfs/dbraw/zinc/51/80/00/345518000.db2.gz DAMSCVINIRWNTL-UHFFFAOYSA-N 1 2 285.343 3.254 20 30 CGEDLO C=CC[N@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000075655591 345518002 /nfs/dbraw/zinc/51/80/02/345518002.db2.gz DAMSCVINIRWNTL-UHFFFAOYSA-N 1 2 285.343 3.254 20 30 CGEDLO N#Cc1cc(F)ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000078264650 345597743 /nfs/dbraw/zinc/59/77/43/345597743.db2.gz MNEXDOYCCCBUKM-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093872177 345891659 /nfs/dbraw/zinc/89/16/59/345891659.db2.gz OUHXXCBRROXRRV-HZPDHXFCSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000093872177 345891660 /nfs/dbraw/zinc/89/16/60/345891660.db2.gz OUHXXCBRROXRRV-HZPDHXFCSA-N 1 2 283.400 3.415 20 30 CGEDLO C=CCN(CCC#N)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000292796168 346429310 /nfs/dbraw/zinc/42/93/10/346429310.db2.gz MYYYPAOASRZPSD-UHFFFAOYSA-N 1 2 280.375 3.082 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+]Cc1[nH]ncc1Br ZINC000308921146 346468780 /nfs/dbraw/zinc/46/87/80/346468780.db2.gz HCDIVFQGHCTMFP-SECBINFHSA-N 1 2 272.190 3.007 20 30 CGEDLO N#CC1(C[NH2+]Cc2nccn2Cc2ccccc2)CCCC1 ZINC000593652522 347099209 /nfs/dbraw/zinc/09/92/09/347099209.db2.gz BFRTWVBLKHZZAO-UHFFFAOYSA-N 1 2 294.402 3.105 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)[C@H](CC)CO1 ZINC000403847392 346598344 /nfs/dbraw/zinc/59/83/44/346598344.db2.gz VJNLMTHNUKJECP-HZPDHXFCSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)[C@H](CC)CO1 ZINC000403847392 346598345 /nfs/dbraw/zinc/59/83/45/346598345.db2.gz VJNLMTHNUKJECP-HZPDHXFCSA-N 1 2 276.355 3.087 20 30 CGEDLO CN(CCCn1cc[nH+]c1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000585717689 346727354 /nfs/dbraw/zinc/72/73/54/346727354.db2.gz KQADUNDCKNQATK-OAHLLOKOSA-N 1 2 288.782 3.123 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000594010423 347136475 /nfs/dbraw/zinc/13/64/75/347136475.db2.gz DNVOLICVOXTHQK-VXGBXAGGSA-N 1 2 293.798 3.257 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000594603708 347200759 /nfs/dbraw/zinc/20/07/59/347200759.db2.gz URMIAVPWWRVBLX-CQSZACIVSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)C[C@H](C)C#N ZINC000594603708 347200761 /nfs/dbraw/zinc/20/07/61/347200761.db2.gz URMIAVPWWRVBLX-CQSZACIVSA-N 1 2 282.391 3.081 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594520066 347188840 /nfs/dbraw/zinc/18/88/40/347188840.db2.gz YGZAPABIJDDKHL-GFCCVEGCSA-N 1 2 280.375 3.320 20 30 CGEDLO COc1c(C)c[nH+]c(CSc2ccncc2C#N)c1C ZINC000594911506 347227335 /nfs/dbraw/zinc/22/73/35/347227335.db2.gz UJCIODCNRNDIGM-UHFFFAOYSA-N 1 2 285.372 3.266 20 30 CGEDLO CO[C@@H](C[N@H+](CCC#N)Cc1cccnc1)C1CCCC1 ZINC000595340421 347293811 /nfs/dbraw/zinc/29/38/11/347293811.db2.gz WIFMFJUWMQZERH-KRWDZBQOSA-N 1 2 287.407 3.002 20 30 CGEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)C1CCCC1 ZINC000595340421 347293814 /nfs/dbraw/zinc/29/38/14/347293814.db2.gz WIFMFJUWMQZERH-KRWDZBQOSA-N 1 2 287.407 3.002 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609928 347326144 /nfs/dbraw/zinc/32/61/44/347326144.db2.gz QJUBZMVGOBPVNA-HNNXBMFYSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609928 347326145 /nfs/dbraw/zinc/32/61/45/347326145.db2.gz QJUBZMVGOBPVNA-HNNXBMFYSA-N 1 2 299.418 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595619653 347328460 /nfs/dbraw/zinc/32/84/60/347328460.db2.gz FEQZNFUTFUIHAN-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595619653 347328462 /nfs/dbraw/zinc/32/84/62/347328462.db2.gz FEQZNFUTFUIHAN-GFCCVEGCSA-N 1 2 273.767 3.337 20 30 CGEDLO CC(C)([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C#N)c1 ZINC000595633762 347331056 /nfs/dbraw/zinc/33/10/56/347331056.db2.gz YSVCUWYMDYMXLK-UHFFFAOYSA-N 1 2 298.415 3.312 20 30 CGEDLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595715815 347346570 /nfs/dbraw/zinc/34/65/70/347346570.db2.gz DZQGZGRLUGLLCT-OAHLLOKOSA-N 1 2 299.418 3.399 20 30 CGEDLO Cc1cccc(C)c1NC(=O)CCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595715815 347346571 /nfs/dbraw/zinc/34/65/71/347346571.db2.gz DZQGZGRLUGLLCT-OAHLLOKOSA-N 1 2 299.418 3.399 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCCCC(C)(C)C#N ZINC000595783934 347356157 /nfs/dbraw/zinc/35/61/57/347356157.db2.gz CUSKHHPPRDJBIT-VXGBXAGGSA-N 1 2 292.345 3.358 20 30 CGEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCCCC(C)(C)C#N ZINC000595783934 347356159 /nfs/dbraw/zinc/35/61/59/347356159.db2.gz CUSKHHPPRDJBIT-VXGBXAGGSA-N 1 2 292.345 3.358 20 30 CGEDLO N#C[C@@]1(F)CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595457395 347307045 /nfs/dbraw/zinc/30/70/45/347307045.db2.gz WWWSYPBWNQTELN-ZBFHGGJFSA-N 1 2 258.340 3.044 20 30 CGEDLO N#C[C@@]1(F)CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595457395 347307047 /nfs/dbraw/zinc/30/70/47/347307047.db2.gz WWWSYPBWNQTELN-ZBFHGGJFSA-N 1 2 258.340 3.044 20 30 CGEDLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)co1 ZINC000595549979 347318395 /nfs/dbraw/zinc/31/83/95/347318395.db2.gz NOJFFONLELKTGZ-NSHDSACASA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)co1 ZINC000595549979 347318397 /nfs/dbraw/zinc/31/83/97/347318397.db2.gz NOJFFONLELKTGZ-NSHDSACASA-N 1 2 255.321 3.048 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000595832518 347362876 /nfs/dbraw/zinc/36/28/76/347362876.db2.gz BRYNFAWSDPLGFV-CYBMUJFWSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000595832518 347362878 /nfs/dbraw/zinc/36/28/78/347362878.db2.gz BRYNFAWSDPLGFV-CYBMUJFWSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000595842106 347365360 /nfs/dbraw/zinc/36/53/60/347365360.db2.gz YJASMYUQJQKLOW-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000595842106 347365363 /nfs/dbraw/zinc/36/53/63/347365363.db2.gz YJASMYUQJQKLOW-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595918121 347372884 /nfs/dbraw/zinc/37/28/84/347372884.db2.gz OSMLEMPDXDRMEU-XHBSWPGZSA-N 1 2 294.345 3.364 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595918121 347372885 /nfs/dbraw/zinc/37/28/85/347372885.db2.gz OSMLEMPDXDRMEU-XHBSWPGZSA-N 1 2 294.345 3.364 20 30 CGEDLO CCCn1nccc1C[N@H+](CCC#N)CCC(C)C ZINC000596995608 347525769 /nfs/dbraw/zinc/52/57/69/347525769.db2.gz LEWHHMGGSBHQAW-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CCCn1nccc1C[N@@H+](CCC#N)CCC(C)C ZINC000596995608 347525773 /nfs/dbraw/zinc/52/57/73/347525773.db2.gz LEWHHMGGSBHQAW-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000597173158 347543529 /nfs/dbraw/zinc/54/35/29/347543529.db2.gz GPTPHXCJDBWZFW-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000597173158 347543531 /nfs/dbraw/zinc/54/35/31/347543531.db2.gz GPTPHXCJDBWZFW-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000597230540 347558746 /nfs/dbraw/zinc/55/87/46/347558746.db2.gz HAGGIPHKMZUNSL-AWEZNQCLSA-N 1 2 275.739 3.217 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000597230540 347558749 /nfs/dbraw/zinc/55/87/49/347558749.db2.gz HAGGIPHKMZUNSL-AWEZNQCLSA-N 1 2 275.739 3.217 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000597231758 347560076 /nfs/dbraw/zinc/56/00/76/347560076.db2.gz ORKPMILBRUJZDK-CQSZACIVSA-N 1 2 273.361 3.139 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000597231758 347560077 /nfs/dbraw/zinc/56/00/77/347560077.db2.gz ORKPMILBRUJZDK-CQSZACIVSA-N 1 2 273.361 3.139 20 30 CGEDLO N#Cc1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)ccn1 ZINC000599700896 347767931 /nfs/dbraw/zinc/76/79/31/347767931.db2.gz RGBFJDAAAVLBJJ-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO C[C@@]1(C[N@H+](CCC#N)Cc2ccccn2)CCCS1 ZINC000600117234 347782226 /nfs/dbraw/zinc/78/22/26/347782226.db2.gz IQYJORQRNOGEGX-HNNXBMFYSA-N 1 2 275.421 3.083 20 30 CGEDLO C[C@@]1(C[N@@H+](CCC#N)Cc2ccccn2)CCCS1 ZINC000600117234 347782228 /nfs/dbraw/zinc/78/22/28/347782228.db2.gz IQYJORQRNOGEGX-HNNXBMFYSA-N 1 2 275.421 3.083 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cc(CO)ccc1F ZINC000599307625 347734531 /nfs/dbraw/zinc/73/45/31/347734531.db2.gz LMEHITLVPJILAX-UHFFFAOYSA-N 1 2 278.371 3.080 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cc(CO)ccc1F ZINC000599307625 347734532 /nfs/dbraw/zinc/73/45/32/347734532.db2.gz LMEHITLVPJILAX-UHFFFAOYSA-N 1 2 278.371 3.080 20 30 CGEDLO COCCN(C)c1ccc(-c2ccc(C)c(C#N)c2)c[nH+]1 ZINC000600793849 347837442 /nfs/dbraw/zinc/83/74/42/347837442.db2.gz PMZSBNCXHBVWKW-UHFFFAOYSA-N 1 2 281.359 3.011 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)no1 ZINC000602450402 347960152 /nfs/dbraw/zinc/96/01/52/347960152.db2.gz VJNRZFWCHZXWGX-CHWSQXEVSA-N 1 2 276.384 3.099 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000602450402 347960153 /nfs/dbraw/zinc/96/01/53/347960153.db2.gz VJNRZFWCHZXWGX-CHWSQXEVSA-N 1 2 276.384 3.099 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000602464096 347962119 /nfs/dbraw/zinc/96/21/19/347962119.db2.gz BQNNTKRNSZJWBE-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000602464096 347962122 /nfs/dbraw/zinc/96/21/22/347962122.db2.gz BQNNTKRNSZJWBE-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602470209 347963573 /nfs/dbraw/zinc/96/35/73/347963573.db2.gz XMMUYKHEOFOABG-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602470209 347963576 /nfs/dbraw/zinc/96/35/76/347963576.db2.gz XMMUYKHEOFOABG-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO COc1cccc(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000602481012 347965660 /nfs/dbraw/zinc/96/56/60/347965660.db2.gz DJNKDXWMWZAFLQ-LBPRGKRZSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1cccc(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000602481012 347965661 /nfs/dbraw/zinc/96/56/61/347965661.db2.gz DJNKDXWMWZAFLQ-LBPRGKRZSA-N 1 2 258.365 3.128 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]C[C@H](C)CCC#N ZINC000602495804 347969182 /nfs/dbraw/zinc/96/91/82/347969182.db2.gz XBZGWRPWBLBLAU-CQSZACIVSA-N 1 2 287.407 3.183 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000602688609 348009615 /nfs/dbraw/zinc/00/96/15/348009615.db2.gz LUXLDPAWZIXGSV-UHFFFAOYSA-N 1 2 272.245 3.082 20 30 CGEDLO N#Cc1cc(F)cc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000602726005 348018548 /nfs/dbraw/zinc/01/85/48/348018548.db2.gz TUYDUKGLODYJAA-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO C=C(C)C[C@H]([NH2+]Cc1cc2c(cccc2C)[nH]1)C(=O)OC ZINC000602739021 348022484 /nfs/dbraw/zinc/02/24/84/348022484.db2.gz OOHZXFWNXFFMOF-INIZCTEOSA-N 1 2 286.375 3.074 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000602861226 348037085 /nfs/dbraw/zinc/03/70/85/348037085.db2.gz GFQCPFCCKRPAKG-MRVPVSSYSA-N 1 2 283.162 3.033 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1nc(-c2c(F)cccc2F)cs1 ZINC000602867011 348038455 /nfs/dbraw/zinc/03/84/55/348038455.db2.gz BACDGKIWSCUCEH-VIFPVBQESA-N 1 2 293.342 3.480 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602904384 348042591 /nfs/dbraw/zinc/04/25/91/348042591.db2.gz XIZWJZTYVBWKBE-KRWDZBQOSA-N 1 2 281.359 3.386 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602904384 348042593 /nfs/dbraw/zinc/04/25/93/348042593.db2.gz XIZWJZTYVBWKBE-KRWDZBQOSA-N 1 2 281.359 3.386 20 30 CGEDLO C[N@H+](Cc1cc(F)ccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602975879 348048523 /nfs/dbraw/zinc/04/85/23/348048523.db2.gz IGRDCVAZDLLUHQ-YGRLFVJLSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)ccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602975879 348048524 /nfs/dbraw/zinc/04/85/24/348048524.db2.gz IGRDCVAZDLLUHQ-YGRLFVJLSA-N 1 2 250.292 3.089 20 30 CGEDLO C=CCOc1ccccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603786457 348096000 /nfs/dbraw/zinc/09/60/00/348096000.db2.gz WGINHBVUNRGQKR-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000608840193 348332175 /nfs/dbraw/zinc/33/21/75/348332175.db2.gz BXVUWBNNXAFNTB-CYBMUJFWSA-N 1 2 297.358 3.000 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000608840193 348332176 /nfs/dbraw/zinc/33/21/76/348332176.db2.gz BXVUWBNNXAFNTB-CYBMUJFWSA-N 1 2 297.358 3.000 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000609487054 348345040 /nfs/dbraw/zinc/34/50/40/348345040.db2.gz WAQQLLWBQSEYDD-INIZCTEOSA-N 1 2 291.826 3.006 20 30 CGEDLO COCC[N@@H+](CCC#N)CCOc1cccc2ccccc21 ZINC000610391867 348380620 /nfs/dbraw/zinc/38/06/20/348380620.db2.gz YZHKCENJEZCQIY-UHFFFAOYSA-N 1 2 298.386 3.081 20 30 CGEDLO COCC[N@H+](CCC#N)CCOc1cccc2ccccc21 ZINC000610391867 348380623 /nfs/dbraw/zinc/38/06/23/348380623.db2.gz YZHKCENJEZCQIY-UHFFFAOYSA-N 1 2 298.386 3.081 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+](CCC#N)C(C)C ZINC000610161267 348364210 /nfs/dbraw/zinc/36/42/10/348364210.db2.gz BMACSYKEJYVYEK-UHFFFAOYSA-N 1 2 268.364 3.062 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+](CCC#N)C(C)C ZINC000610161267 348364213 /nfs/dbraw/zinc/36/42/13/348364213.db2.gz BMACSYKEJYVYEK-UHFFFAOYSA-N 1 2 268.364 3.062 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc(C#N)c1 ZINC000611388731 348443849 /nfs/dbraw/zinc/44/38/49/348443849.db2.gz SCTPXTSOFLJYPD-NSHDSACASA-N 1 2 284.363 3.090 20 30 CGEDLO Cc1ccnc(Nc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000273394502 192136847 /nfs/dbraw/zinc/13/68/47/192136847.db2.gz VNFUSTHMLNEBQD-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000612406645 348517231 /nfs/dbraw/zinc/51/72/31/348517231.db2.gz QVVUDCPERTYFGL-KRWDZBQOSA-N 1 2 268.360 3.088 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000612406645 348517234 /nfs/dbraw/zinc/51/72/34/348517234.db2.gz QVVUDCPERTYFGL-KRWDZBQOSA-N 1 2 268.360 3.088 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccc(C)cc2)n1 ZINC000613043451 348562174 /nfs/dbraw/zinc/56/21/74/348562174.db2.gz SVRMHCRPHPVXBS-AWEZNQCLSA-N 1 2 269.348 3.432 20 30 CGEDLO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000618283273 349066342 /nfs/dbraw/zinc/06/63/42/349066342.db2.gz DHQFUPMLDGATIP-NEPJUHHUSA-N 1 2 292.345 3.358 20 30 CGEDLO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C(F)(F)F)O1 ZINC000618283273 349066345 /nfs/dbraw/zinc/06/63/45/349066345.db2.gz DHQFUPMLDGATIP-NEPJUHHUSA-N 1 2 292.345 3.358 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc3ccccc3[nH]2)c1 ZINC000618947737 349181113 /nfs/dbraw/zinc/18/11/13/349181113.db2.gz ZVZWFIUDTLZHQJ-UHFFFAOYSA-N 1 2 262.316 3.241 20 30 CGEDLO C=CCC1(C(=O)Nc2c[nH+]c3c(C)cccn23)CCC1 ZINC000619015324 349193678 /nfs/dbraw/zinc/19/36/78/349193678.db2.gz YDXFEOUTHYXMLH-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1F ZINC000359041888 233247281 /nfs/dbraw/zinc/24/72/81/233247281.db2.gz LFAKIUMLUBGCBO-UHFFFAOYSA-N 1 2 294.333 3.101 20 30 CGEDLO Cc1cccc(CCNc2nc3c(cc2C#N)CCCC3)[nH+]1 ZINC000359828937 233380834 /nfs/dbraw/zinc/38/08/34/233380834.db2.gz HIKZKURMFYKOBS-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000633289111 351275614 /nfs/dbraw/zinc/27/56/14/351275614.db2.gz OHQYZBPNYDUHKH-CYBMUJFWSA-N 1 2 292.427 3.256 20 30 CGEDLO Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000271431776 191134258 /nfs/dbraw/zinc/13/42/58/191134258.db2.gz NZODBGBIMKNALW-UHFFFAOYSA-N 1 2 286.404 3.129 20 30 CGEDLO Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000271431776 191134259 /nfs/dbraw/zinc/13/42/59/191134259.db2.gz NZODBGBIMKNALW-UHFFFAOYSA-N 1 2 286.404 3.129 20 30 CGEDLO CCSCc1cc[nH+]c(NCc2ccc(C#N)o2)c1 ZINC000123296620 187082950 /nfs/dbraw/zinc/08/29/50/187082950.db2.gz SNUHBNZXJWAJMU-UHFFFAOYSA-N 1 2 273.361 3.411 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000271487410 191167259 /nfs/dbraw/zinc/16/72/59/191167259.db2.gz LJCKBXFDSHQYNP-JTQLQIEISA-N 1 2 294.761 3.118 20 30 CGEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573924908 334977820 /nfs/dbraw/zinc/97/78/20/334977820.db2.gz KCYTWFMMQJEKDH-RDJZCZTQSA-N 1 2 297.402 3.138 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)on1 ZINC000336382319 213236763 /nfs/dbraw/zinc/23/67/63/213236763.db2.gz XZTDGZAZWHQKSL-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)on1 ZINC000336382319 213236765 /nfs/dbraw/zinc/23/67/65/213236765.db2.gz XZTDGZAZWHQKSL-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc(N2CCC(C)(C3CC3)CC2)c(C#N)c[nH+]1 ZINC000425265675 236224573 /nfs/dbraw/zinc/22/45/73/236224573.db2.gz FMTNVIAPZLQSDS-UHFFFAOYSA-N 1 2 255.365 3.278 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000425538038 236258764 /nfs/dbraw/zinc/25/87/64/236258764.db2.gz REGONKICBVCIIU-GFCCVEGCSA-N 1 2 297.406 3.167 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000425538038 236258766 /nfs/dbraw/zinc/25/87/66/236258766.db2.gz REGONKICBVCIIU-GFCCVEGCSA-N 1 2 297.406 3.167 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1nc2c(cc1C#N)CCC2 ZINC000294869903 199223757 /nfs/dbraw/zinc/22/37/57/199223757.db2.gz BBFFBEUWEYHMRX-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)s1 ZINC000180034809 189233693 /nfs/dbraw/zinc/23/36/93/189233693.db2.gz HDNWPMBUKVCKAN-CQSZACIVSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)s1 ZINC000180034809 189233694 /nfs/dbraw/zinc/23/36/94/189233694.db2.gz HDNWPMBUKVCKAN-CQSZACIVSA-N 1 2 290.413 3.255 20 30 CGEDLO CCCN(Cc1ccc(C#N)cc1)c1cc(C)[nH+]cn1 ZINC000301780143 201192138 /nfs/dbraw/zinc/19/21/38/201192138.db2.gz SIPGUPOPNGHYED-UHFFFAOYSA-N 1 2 266.348 3.073 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000451115897 240221001 /nfs/dbraw/zinc/22/10/01/240221001.db2.gz PMBBGADVZSOBAR-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000451115897 240221004 /nfs/dbraw/zinc/22/10/04/240221004.db2.gz PMBBGADVZSOBAR-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CC[N@@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000121550023 370872699 /nfs/dbraw/zinc/87/26/99/370872699.db2.gz LKBQFZWUEOTGQI-LLVKDONJSA-N 1 2 275.327 3.363 20 30 CGEDLO C=CC[N@H+](C)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000121550023 370872703 /nfs/dbraw/zinc/87/27/03/370872703.db2.gz LKBQFZWUEOTGQI-LLVKDONJSA-N 1 2 275.327 3.363 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000121598023 370877384 /nfs/dbraw/zinc/87/73/84/370877384.db2.gz DFHHTPVSVZHQJP-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000121598023 370877389 /nfs/dbraw/zinc/87/73/89/370877389.db2.gz DFHHTPVSVZHQJP-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)o1 ZINC000485298596 243330187 /nfs/dbraw/zinc/33/01/87/243330187.db2.gz DHZOFIHWGSXOSE-UHFFFAOYSA-N 1 2 286.762 3.479 20 30 CGEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000048056898 369335683 /nfs/dbraw/zinc/33/56/83/369335683.db2.gz IJQCAIPUFZCTOL-UHFFFAOYSA-N 1 2 264.550 3.226 20 30 CGEDLO C=C(Cl)C[N@H+](C)Cc1ccc(Br)o1 ZINC000048056898 369335686 /nfs/dbraw/zinc/33/56/86/369335686.db2.gz IJQCAIPUFZCTOL-UHFFFAOYSA-N 1 2 264.550 3.226 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000127619712 370955189 /nfs/dbraw/zinc/95/51/89/370955189.db2.gz AUPVARPLBOVMDA-UHFFFAOYSA-N 1 2 258.365 3.136 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000127619712 370955193 /nfs/dbraw/zinc/95/51/93/370955193.db2.gz AUPVARPLBOVMDA-UHFFFAOYSA-N 1 2 258.365 3.136 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](c2ccsc2)O1 ZINC000093768882 370157778 /nfs/dbraw/zinc/15/77/78/370157778.db2.gz KCYIKFFPAAKNIL-XHDPSFHLSA-N 1 2 288.372 3.175 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](c2ccsc2)O1 ZINC000093768882 370157783 /nfs/dbraw/zinc/15/77/83/370157783.db2.gz KCYIKFFPAAKNIL-XHDPSFHLSA-N 1 2 288.372 3.175 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1cccc(C#N)c1F ZINC000219519608 376200848 /nfs/dbraw/zinc/20/08/48/376200848.db2.gz VUYGWAYIPMSWQO-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1cccc(C#N)c1F ZINC000219519608 376200856 /nfs/dbraw/zinc/20/08/56/376200856.db2.gz VUYGWAYIPMSWQO-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)no1 ZINC000135121957 371391338 /nfs/dbraw/zinc/39/13/38/371391338.db2.gz ORGAKLRLKZCLRT-UHFFFAOYSA-N 1 2 283.375 3.416 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)no1 ZINC000135121957 371391343 /nfs/dbraw/zinc/39/13/43/371391343.db2.gz ORGAKLRLKZCLRT-UHFFFAOYSA-N 1 2 283.375 3.416 20 30 CGEDLO CN(C)c1ccccc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000344076617 217040166 /nfs/dbraw/zinc/04/01/66/217040166.db2.gz VCALJNRILGVEKJ-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000344076617 217040169 /nfs/dbraw/zinc/04/01/69/217040169.db2.gz VCALJNRILGVEKJ-UHFFFAOYSA-N 1 2 297.377 3.395 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000157664772 372030459 /nfs/dbraw/zinc/03/04/59/372030459.db2.gz UCELMVCHOASMNA-DOMZBBRYSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000157664772 372030471 /nfs/dbraw/zinc/03/04/71/372030471.db2.gz UCELMVCHOASMNA-DOMZBBRYSA-N 1 2 287.407 3.112 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)C(F)(F)F ZINC000158066730 372049635 /nfs/dbraw/zinc/04/96/35/372049635.db2.gz DPXVOPJMUFHSPV-SECBINFHSA-N 1 2 299.745 3.313 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)C(F)(F)F ZINC000158066730 372049638 /nfs/dbraw/zinc/04/96/38/372049638.db2.gz DPXVOPJMUFHSPV-SECBINFHSA-N 1 2 299.745 3.313 20 30 CGEDLO C=CC[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425196782 372116848 /nfs/dbraw/zinc/11/68/48/372116848.db2.gz YBOJZHWKJBTSTO-UKRRQHHQSA-N 1 2 283.375 3.013 20 30 CGEDLO C=CCN(C(=O)/C=C/c1[nH+]ccn1CC)c1ccccc1 ZINC000158695891 372081954 /nfs/dbraw/zinc/08/19/54/372081954.db2.gz DEPNPMPEZVIHTK-ZHACJKMWSA-N 1 2 281.359 3.135 20 30 CGEDLO C[C@H]1CCC[N@H+](CC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425510794 372129691 /nfs/dbraw/zinc/12/96/91/372129691.db2.gz KRLKUYBBVUVVJS-KBPBESRZSA-N 1 2 292.423 3.122 20 30 CGEDLO C[C@H]1CCC[N@@H+](CC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC000425510794 372129694 /nfs/dbraw/zinc/12/96/94/372129694.db2.gz KRLKUYBBVUVVJS-KBPBESRZSA-N 1 2 292.423 3.122 20 30 CGEDLO CC(C)[C@@H](CC[N@H+](C)C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000161436835 372326087 /nfs/dbraw/zinc/32/60/87/372326087.db2.gz CILORJMBNOCEDH-CYBMUJFWSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)[C@@H](CC[N@@H+](C)C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000161436835 372326090 /nfs/dbraw/zinc/32/60/90/372326090.db2.gz CILORJMBNOCEDH-CYBMUJFWSA-N 1 2 297.443 3.160 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccccc2C)no1 ZINC000052869179 541876524 /nfs/dbraw/zinc/87/65/24/541876524.db2.gz NOLRQGCVSMRUJG-UHFFFAOYSA-N 1 2 269.348 3.219 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293811955 372490462 /nfs/dbraw/zinc/49/04/62/372490462.db2.gz QTEYDWDNTQIIOF-UHFFFAOYSA-N 1 2 283.375 3.204 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc2ccc(F)cc2s1 ZINC000432930587 372575412 /nfs/dbraw/zinc/57/54/12/372575412.db2.gz ZCGCAVJEVMIFTA-UHFFFAOYSA-N 1 2 280.368 3.070 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc2ccc(F)cc2s1 ZINC000432930587 372575414 /nfs/dbraw/zinc/57/54/14/372575414.db2.gz ZCGCAVJEVMIFTA-UHFFFAOYSA-N 1 2 280.368 3.070 20 30 CGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(C)C#N ZINC000433313248 372587382 /nfs/dbraw/zinc/58/73/82/372587382.db2.gz PNGMEPLXICNCDE-NSHDSACASA-N 1 2 261.325 3.137 20 30 CGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(C)C#N ZINC000433313248 372587386 /nfs/dbraw/zinc/58/73/86/372587386.db2.gz PNGMEPLXICNCDE-NSHDSACASA-N 1 2 261.325 3.137 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000433319821 372592564 /nfs/dbraw/zinc/59/25/64/372592564.db2.gz PWLNEVVFUZOREC-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000433319821 372592566 /nfs/dbraw/zinc/59/25/66/372592566.db2.gz PWLNEVVFUZOREC-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000295462849 372791310 /nfs/dbraw/zinc/79/13/10/372791310.db2.gz QGEVVNIKCKMORO-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000295462849 372791319 /nfs/dbraw/zinc/79/13/19/372791319.db2.gz QGEVVNIKCKMORO-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000441305833 373001348 /nfs/dbraw/zinc/00/13/48/373001348.db2.gz AQLLYOPVOFJLDU-UHFFFAOYSA-N 1 2 278.421 3.264 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)o1 ZINC000174308698 373289008 /nfs/dbraw/zinc/28/90/08/373289008.db2.gz RELXBFCVKJTFHU-GOSISDBHSA-N 1 2 289.338 3.425 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@H](C)[C@@H](C)O1 ZINC000446076925 373320029 /nfs/dbraw/zinc/32/00/29/373320029.db2.gz INKGHXOFDRFOPG-MGPQQGTHSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C)[C@@H](C)O1 ZINC000446076925 373320037 /nfs/dbraw/zinc/32/00/37/373320037.db2.gz INKGHXOFDRFOPG-MGPQQGTHSA-N 1 2 277.795 3.189 20 30 CGEDLO CCC[C@H](C)C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448270445 373558935 /nfs/dbraw/zinc/55/89/35/373558935.db2.gz FLHFYGHPZOCHHW-ARFHVFGLSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[C@H](C)C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448270445 373558939 /nfs/dbraw/zinc/55/89/39/373558939.db2.gz FLHFYGHPZOCHHW-ARFHVFGLSA-N 1 2 264.413 3.350 20 30 CGEDLO Cc1ccc(NC(=O)N(CCC#N)CCC(C)C)c(C)[nH+]1 ZINC000176777696 373631073 /nfs/dbraw/zinc/63/10/73/373631073.db2.gz AFWDJFFFAMLQEY-UHFFFAOYSA-N 1 2 288.395 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccncc1F ZINC000449045001 373656693 /nfs/dbraw/zinc/65/66/93/373656693.db2.gz GPLAGWHFZJSDIZ-FUHWJXTLSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1F ZINC000449045001 373656701 /nfs/dbraw/zinc/65/67/01/373656701.db2.gz GPLAGWHFZJSDIZ-FUHWJXTLSA-N 1 2 295.361 3.492 20 30 CGEDLO N#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000301168595 373681154 /nfs/dbraw/zinc/68/11/54/373681154.db2.gz WHJLIWZYYKXRJT-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(=O)OCC ZINC000449659132 373838763 /nfs/dbraw/zinc/83/87/63/373838763.db2.gz VBKAXKDIEDBZQF-RDBSUJKOSA-N 1 2 285.453 3.004 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc2occc2c1)C(=O)OCC ZINC000449656630 373838359 /nfs/dbraw/zinc/83/83/59/373838359.db2.gz LRFKUZKWFZWKAS-OAHLLOKOSA-N 1 2 287.359 3.420 20 30 CGEDLO CCN(C)c1ccc(CNc2cc(C)cc(C#N)c2)c[nH+]1 ZINC000449758954 373885555 /nfs/dbraw/zinc/88/55/55/373885555.db2.gz IIQSMVWQIGBZJV-UHFFFAOYSA-N 1 2 280.375 3.330 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)ccc1F ZINC000179775155 373914065 /nfs/dbraw/zinc/91/40/65/373914065.db2.gz ISIRPRWNMNJARU-IAQYHMDHSA-N 1 2 277.318 3.449 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C2CC2)s1 ZINC000450691788 374172838 /nfs/dbraw/zinc/17/28/38/374172838.db2.gz APCZDQAVRJSCDY-UHFFFAOYSA-N 1 2 289.404 3.239 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C2CC2)s1 ZINC000450691788 374172847 /nfs/dbraw/zinc/17/28/47/374172847.db2.gz APCZDQAVRJSCDY-UHFFFAOYSA-N 1 2 289.404 3.239 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738229 375389949 /nfs/dbraw/zinc/38/99/49/375389949.db2.gz OEATYASARKZIGA-ZFWWWQNUSA-N 1 2 265.360 3.149 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCn3c(cc4ccccc43)C2)C1 ZINC000335738229 375389953 /nfs/dbraw/zinc/38/99/53/375389953.db2.gz OEATYASARKZIGA-ZFWWWQNUSA-N 1 2 265.360 3.149 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)on1 ZINC000335746436 375395922 /nfs/dbraw/zinc/39/59/22/375395922.db2.gz AESDDDBPVRNCPR-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)on1 ZINC000335746436 375395930 /nfs/dbraw/zinc/39/59/30/375395930.db2.gz AESDDDBPVRNCPR-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO C=CCC1(NC(=O)/C=C/c2[nH+]ccn2CC)CCCCC1 ZINC000492961283 375457766 /nfs/dbraw/zinc/45/77/66/375457766.db2.gz PFOLZPSWCYPSSF-CMDGGOBGSA-N 1 2 287.407 3.311 20 30 CGEDLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)c1cccc(C#N)c1 ZINC000189826279 375451742 /nfs/dbraw/zinc/45/17/42/375451742.db2.gz ORZWKVKUHFULON-SNVBAGLBSA-N 1 2 295.371 3.088 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492768659 375452678 /nfs/dbraw/zinc/45/26/78/375452678.db2.gz OXWKYDGFPMHFLP-VOTSOKGWSA-N 1 2 283.331 3.017 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000192227101 375713594 /nfs/dbraw/zinc/71/35/94/375713594.db2.gz VIXINJSJZIHCOE-KGLIPLIRSA-N 1 2 272.392 3.092 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000192227101 375713599 /nfs/dbraw/zinc/71/35/99/375713599.db2.gz VIXINJSJZIHCOE-KGLIPLIRSA-N 1 2 272.392 3.092 20 30 CGEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000192225130 375714157 /nfs/dbraw/zinc/71/41/57/375714157.db2.gz PSDGBFTVFFFSPF-UHFFFAOYSA-N 1 2 286.419 3.437 20 30 CGEDLO C#CC[N@H+](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000192225130 375714164 /nfs/dbraw/zinc/71/41/64/375714164.db2.gz PSDGBFTVFFFSPF-UHFFFAOYSA-N 1 2 286.419 3.437 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1OC ZINC000519421041 375837020 /nfs/dbraw/zinc/83/70/20/375837020.db2.gz ZDGDRQOGEDRONG-GFCCVEGCSA-N 1 2 252.745 3.130 20 30 CGEDLO N#CCCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000336576510 375843909 /nfs/dbraw/zinc/84/39/09/375843909.db2.gz DPKMNMZMXVQNDO-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO N#CCCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000336576510 375843914 /nfs/dbraw/zinc/84/39/14/375843914.db2.gz DPKMNMZMXVQNDO-UHFFFAOYSA-N 1 2 279.181 3.111 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000532470950 375952652 /nfs/dbraw/zinc/95/26/52/375952652.db2.gz WPPLIWSXSXBCNI-UHFFFAOYSA-N 1 2 289.766 3.163 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1C ZINC000336855976 376013063 /nfs/dbraw/zinc/01/30/63/376013063.db2.gz JPQHDEHARKRBID-ROUUACIJSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1C ZINC000336855976 376013069 /nfs/dbraw/zinc/01/30/69/376013069.db2.gz JPQHDEHARKRBID-ROUUACIJSA-N 1 2 294.402 3.000 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000223516472 376255765 /nfs/dbraw/zinc/25/57/65/376255765.db2.gz VSKJNOPBSJAYLU-LBPRGKRZSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000223516472 376255768 /nfs/dbraw/zinc/25/57/68/376255768.db2.gz VSKJNOPBSJAYLU-LBPRGKRZSA-N 1 2 286.272 3.472 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(C)C)nc1C)C[C@H](C)C#N ZINC000338944305 376591258 /nfs/dbraw/zinc/59/12/58/376591258.db2.gz DKDCZSALGZQRMZ-CYBMUJFWSA-N 1 2 259.397 3.495 20 30 CGEDLO CC[N@H+](Cc1ccc(C(C)C)nc1C)C[C@H](C)C#N ZINC000338944305 376591266 /nfs/dbraw/zinc/59/12/66/376591266.db2.gz DKDCZSALGZQRMZ-CYBMUJFWSA-N 1 2 259.397 3.495 20 30 CGEDLO C=CCOCC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000339110638 376685281 /nfs/dbraw/zinc/68/52/81/376685281.db2.gz ICTMDGSUYQUWIC-CJNGLKHVSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000339110638 376685284 /nfs/dbraw/zinc/68/52/84/376685284.db2.gz ICTMDGSUYQUWIC-CJNGLKHVSA-N 1 2 295.810 3.304 20 30 CGEDLO Cc1nc(C(C)C)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000339251317 376742615 /nfs/dbraw/zinc/74/26/15/376742615.db2.gz QREUSTZNOGMDKO-UHFFFAOYSA-N 1 2 259.397 3.495 20 30 CGEDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000339251317 376742629 /nfs/dbraw/zinc/74/26/29/376742629.db2.gz QREUSTZNOGMDKO-UHFFFAOYSA-N 1 2 259.397 3.495 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000339441648 376756417 /nfs/dbraw/zinc/75/64/17/376756417.db2.gz YLDHEPRVBIVAOW-MRXNPFEDSA-N 1 2 299.374 3.182 20 30 CGEDLO C=CC[C@H](CO)[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000556259778 376861305 /nfs/dbraw/zinc/86/13/05/376861305.db2.gz IPHUZIWYRYDDRQ-HIFRSBDPSA-N 1 2 299.361 3.307 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccccc3C#N)cn2c1 ZINC000340112940 376921549 /nfs/dbraw/zinc/92/15/49/376921549.db2.gz ALBWYDSFMQHQSD-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO CCC(CC)CN(CCC#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568021356 377513996 /nfs/dbraw/zinc/51/39/96/377513996.db2.gz RSCYOQRKCKZKKL-AWEZNQCLSA-N 1 2 290.411 3.013 20 30 CGEDLO CC1(C)CCC[N@H+](CCCC2CCOCC2)[C@H]1C#N ZINC000572088040 377545931 /nfs/dbraw/zinc/54/59/31/377545931.db2.gz IMWQAKFVRROWHX-HNNXBMFYSA-N 1 2 264.413 3.207 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCC2CCOCC2)[C@H]1C#N ZINC000572088040 377545939 /nfs/dbraw/zinc/54/59/39/377545939.db2.gz IMWQAKFVRROWHX-HNNXBMFYSA-N 1 2 264.413 3.207 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3ccccc3C#N)CCC2)n1 ZINC000265479106 190185380 /nfs/dbraw/zinc/18/53/80/190185380.db2.gz KERRUHWIVCYNOP-UHFFFAOYSA-N 1 2 283.400 3.492 20 30 CGEDLO C=CCC[NH2+]c1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000342565611 377662303 /nfs/dbraw/zinc/66/23/03/377662303.db2.gz KJXBZXBMJMFUJB-UHFFFAOYSA-N 1 2 271.368 3.082 20 30 CGEDLO C[N@H+](Cc1cccs1)Cc1ccc(F)cc1C#N ZINC000343539311 378012666 /nfs/dbraw/zinc/01/26/66/378012666.db2.gz GYDGYPHQABRKEL-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1cccs1)Cc1ccc(F)cc1C#N ZINC000343539311 378012673 /nfs/dbraw/zinc/01/26/73/378012673.db2.gz GYDGYPHQABRKEL-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000264457864 377988370 /nfs/dbraw/zinc/98/83/70/377988370.db2.gz JOSFBBBTCPYFKG-OAHLLOKOSA-N 1 2 272.392 3.282 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000264709024 377991395 /nfs/dbraw/zinc/99/13/95/377991395.db2.gz KLIAGXXSDJGIFM-OAHLLOKOSA-N 1 2 278.371 3.121 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000264709024 377991398 /nfs/dbraw/zinc/99/13/98/377991398.db2.gz KLIAGXXSDJGIFM-OAHLLOKOSA-N 1 2 278.371 3.121 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000267097219 378032075 /nfs/dbraw/zinc/03/20/75/378032075.db2.gz SGWQTLWWOZJXQQ-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000267097219 378032082 /nfs/dbraw/zinc/03/20/82/378032082.db2.gz SGWQTLWWOZJXQQ-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000270417327 378348579 /nfs/dbraw/zinc/34/85/79/378348579.db2.gz YZBRMCMNGJGFBC-AWEZNQCLSA-N 1 2 267.376 3.223 20 30 CGEDLO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000270417327 378348583 /nfs/dbraw/zinc/34/85/83/378348583.db2.gz YZBRMCMNGJGFBC-AWEZNQCLSA-N 1 2 267.376 3.223 20 30 CGEDLO C[N@H+](Cc1ncc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000270582630 378371206 /nfs/dbraw/zinc/37/12/06/378371206.db2.gz IVXLKSHGAOPXPY-UHFFFAOYSA-N 1 2 267.332 3.056 20 30 CGEDLO C[N@@H+](Cc1ncc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000270582630 378371212 /nfs/dbraw/zinc/37/12/12/378371212.db2.gz IVXLKSHGAOPXPY-UHFFFAOYSA-N 1 2 267.332 3.056 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1nc2c(cc1C#N)CCCC2 ZINC000270933452 378414819 /nfs/dbraw/zinc/41/48/19/378414819.db2.gz IJIKWFDPFLFGHE-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO CCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271114842 378454850 /nfs/dbraw/zinc/45/48/50/378454850.db2.gz DYUUBOMQRKVYIT-ZDUSSCGKSA-N 1 2 276.380 3.075 20 30 CGEDLO CCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000271114842 378454856 /nfs/dbraw/zinc/45/48/56/378454856.db2.gz DYUUBOMQRKVYIT-ZDUSSCGKSA-N 1 2 276.380 3.075 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000271128727 378458398 /nfs/dbraw/zinc/45/83/98/378458398.db2.gz MWQUJAYOMVKEML-VIFPVBQESA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000271128727 378458400 /nfs/dbraw/zinc/45/84/00/378458400.db2.gz MWQUJAYOMVKEML-VIFPVBQESA-N 1 2 274.261 3.436 20 30 CGEDLO C=C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000272533260 378660025 /nfs/dbraw/zinc/66/00/25/378660025.db2.gz MWLDIUXBBHAEMX-UHFFFAOYSA-N 1 2 291.192 3.473 20 30 CGEDLO C#CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 ZINC000274151429 378785106 /nfs/dbraw/zinc/78/51/06/378785106.db2.gz KYIWTVZQSMHMSK-UHFFFAOYSA-N 1 2 294.276 3.444 20 30 CGEDLO C#CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)C1CC1 ZINC000274151429 378785109 /nfs/dbraw/zinc/78/51/09/378785109.db2.gz KYIWTVZQSMHMSK-UHFFFAOYSA-N 1 2 294.276 3.444 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccccc2OC)n1)C1CC1 ZINC000274182165 378788614 /nfs/dbraw/zinc/78/86/14/378788614.db2.gz OYWLVBLIECYWOO-UHFFFAOYSA-N 1 2 298.411 3.416 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccccc2OC)n1)C1CC1 ZINC000274182165 378788620 /nfs/dbraw/zinc/78/86/20/378788620.db2.gz OYWLVBLIECYWOO-UHFFFAOYSA-N 1 2 298.411 3.416 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc(CC)cc(=O)[nH]1 ZINC000348234575 378852376 /nfs/dbraw/zinc/85/23/76/378852376.db2.gz LFIRHCXZGIRTBF-UHFFFAOYSA-N 1 2 297.402 3.323 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc(CC)cc(=O)[nH]1 ZINC000348234575 378852382 /nfs/dbraw/zinc/85/23/82/378852382.db2.gz LFIRHCXZGIRTBF-UHFFFAOYSA-N 1 2 297.402 3.323 20 30 CGEDLO CC(C)([NH2+]CC1(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000348510211 378971795 /nfs/dbraw/zinc/97/17/95/378971795.db2.gz CLAGAMMRYFLUDM-UHFFFAOYSA-N 1 2 289.326 3.290 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000639132567 379058473 /nfs/dbraw/zinc/05/84/73/379058473.db2.gz QMJIELHNBKPRPK-UONOGXRCSA-N 1 2 262.401 3.370 20 30 CGEDLO COC(=O)[C@H]([NH2+]C1CCC2(CC2)CC1)c1cccc(C#N)c1 ZINC000277532269 379185208 /nfs/dbraw/zinc/18/52/08/379185208.db2.gz PACDLAZOIFZUFJ-MRXNPFEDSA-N 1 2 298.386 3.085 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000277600653 379197498 /nfs/dbraw/zinc/19/74/98/379197498.db2.gz MMVSCZJTDCSTTG-UHFFFAOYSA-N 1 2 294.280 3.406 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(F)cc1F ZINC000349799655 379389912 /nfs/dbraw/zinc/38/99/12/379389912.db2.gz LFBQQEBOPWXDPJ-UHFFFAOYSA-N 1 2 262.259 3.061 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(F)cc1F ZINC000349799655 379389920 /nfs/dbraw/zinc/38/99/20/379389920.db2.gz LFBQQEBOPWXDPJ-UHFFFAOYSA-N 1 2 262.259 3.061 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375352880 379493755 /nfs/dbraw/zinc/49/37/55/379493755.db2.gz MTROYUCBOZGXKG-KRWDZBQOSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375352880 379493758 /nfs/dbraw/zinc/49/37/58/379493758.db2.gz MTROYUCBOZGXKG-KRWDZBQOSA-N 1 2 295.386 3.149 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000351583228 379730176 /nfs/dbraw/zinc/73/01/76/379730176.db2.gz NUFLOTPHBFVMHF-UHFFFAOYSA-N 1 2 298.342 3.489 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000351583228 379730180 /nfs/dbraw/zinc/73/01/80/379730180.db2.gz NUFLOTPHBFVMHF-UHFFFAOYSA-N 1 2 298.342 3.489 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)s1 ZINC000391930660 379910937 /nfs/dbraw/zinc/91/09/37/379910937.db2.gz XSJVLKVLJZNQOX-QMMMGPOBSA-N 1 2 292.795 3.222 20 30 CGEDLO Cc1cc(C)c(CNc2nc3c(cc2C#N)CCC3)c[nH+]1 ZINC000396959498 379924185 /nfs/dbraw/zinc/92/41/85/379924185.db2.gz ATEKLDICXCZVTQ-UHFFFAOYSA-N 1 2 278.359 3.066 20 30 CGEDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1F ZINC000352811114 379975815 /nfs/dbraw/zinc/97/58/15/379975815.db2.gz QOEPEZWYNBICRT-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO Cc1cnc([C@@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)s1 ZINC000352849616 380004264 /nfs/dbraw/zinc/00/42/64/380004264.db2.gz XHVSVFPRIFUMRN-LBPRGKRZSA-N 1 2 290.417 3.021 20 30 CGEDLO C=CCNC(=O)[C@H](C)[N@H+](CC=C)Cc1ccc(Cl)s1 ZINC000268034891 190371696 /nfs/dbraw/zinc/37/16/96/190371696.db2.gz QAUJRMRJGUSPRO-NSHDSACASA-N 1 2 298.839 3.080 20 30 CGEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC=C)Cc1ccc(Cl)s1 ZINC000268034891 190371697 /nfs/dbraw/zinc/37/16/97/190371697.db2.gz QAUJRMRJGUSPRO-NSHDSACASA-N 1 2 298.839 3.080 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)[C@H](C)CCC#N)n1 ZINC000411317917 380141734 /nfs/dbraw/zinc/14/17/34/380141734.db2.gz CSILFXXGUPTRKL-MNOVXSKESA-N 1 2 282.413 3.008 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)CCC#N)n1 ZINC000411317917 380141739 /nfs/dbraw/zinc/14/17/39/380141739.db2.gz CSILFXXGUPTRKL-MNOVXSKESA-N 1 2 282.413 3.008 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]CCC2(C#N)CCCCC2)no1 ZINC000411363266 380141944 /nfs/dbraw/zinc/14/19/44/380141944.db2.gz DBROXAOJJPQTTC-UHFFFAOYSA-N 1 2 276.384 3.067 20 30 CGEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000411390586 380142942 /nfs/dbraw/zinc/14/29/42/380142942.db2.gz AIOQJJZMFAZHSA-LSDHHAIUSA-N 1 2 289.398 3.197 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1c(F)cncc1F ZINC000353113750 380120539 /nfs/dbraw/zinc/12/05/39/380120539.db2.gz AGAJFPDFFLBSBF-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000411140176 380131916 /nfs/dbraw/zinc/13/19/16/380131916.db2.gz SPKDDBKQYKJXOG-LBPRGKRZSA-N 1 2 289.404 3.301 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000411140176 380131920 /nfs/dbraw/zinc/13/19/20/380131920.db2.gz SPKDDBKQYKJXOG-LBPRGKRZSA-N 1 2 289.404 3.301 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccco2)s1)CC(C)(C)C#N ZINC000354043686 380296483 /nfs/dbraw/zinc/29/64/83/380296483.db2.gz YXMQOISTWSJSQW-UHFFFAOYSA-N 1 2 275.377 3.385 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccco2)s1)CC(C)(C)C#N ZINC000354043686 380296490 /nfs/dbraw/zinc/29/64/90/380296490.db2.gz YXMQOISTWSJSQW-UHFFFAOYSA-N 1 2 275.377 3.385 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C)n1 ZINC000417776762 380675847 /nfs/dbraw/zinc/67/58/47/380675847.db2.gz BJLUQRNDAMSOHU-ZWKOTPCHSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C)n1 ZINC000417776762 380675852 /nfs/dbraw/zinc/67/58/52/380675852.db2.gz BJLUQRNDAMSOHU-ZWKOTPCHSA-N 1 2 294.402 3.000 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1F ZINC000421323792 380874412 /nfs/dbraw/zinc/87/44/12/380874412.db2.gz AUYVIPGDKFIXPB-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000279219745 194337773 /nfs/dbraw/zinc/33/77/73/194337773.db2.gz HVUPDHZCCVWFLN-UHFFFAOYSA-N 1 2 250.411 3.284 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000279219745 194337775 /nfs/dbraw/zinc/33/77/75/194337775.db2.gz HVUPDHZCCVWFLN-UHFFFAOYSA-N 1 2 250.411 3.284 20 30 CGEDLO CC[N@@H+](Cc1cncc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000361291655 381680439 /nfs/dbraw/zinc/68/04/39/381680439.db2.gz ZODSOKBDAVEHIL-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1cncc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000361291655 381680443 /nfs/dbraw/zinc/68/04/43/381680443.db2.gz ZODSOKBDAVEHIL-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000362281512 381928641 /nfs/dbraw/zinc/92/86/41/381928641.db2.gz CFFZSTKRUAHCMX-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362281512 381928648 /nfs/dbraw/zinc/92/86/48/381928648.db2.gz CFFZSTKRUAHCMX-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO CC1=C(Br)C[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000281083986 195097887 /nfs/dbraw/zinc/09/78/87/195097887.db2.gz JQCSCEKYCICFPG-UHFFFAOYSA-N 1 2 297.221 3.494 20 30 CGEDLO CC1=C(Br)C[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000281083986 195097888 /nfs/dbraw/zinc/09/78/88/195097888.db2.gz JQCSCEKYCICFPG-UHFFFAOYSA-N 1 2 297.221 3.494 20 30 CGEDLO O=C(NCc1c[nH+]c[nH]1)c1scnc1C1CCCC1 ZINC000329445600 542446903 /nfs/dbraw/zinc/44/69/03/542446903.db2.gz CINKLWMDEJJDNA-UHFFFAOYSA-N 1 2 276.365 3.029 20 30 CGEDLO O=C(NCc1c[nH]c[nH+]1)c1scnc1C1CCCC1 ZINC000329445600 542446905 /nfs/dbraw/zinc/44/69/05/542446905.db2.gz CINKLWMDEJJDNA-UHFFFAOYSA-N 1 2 276.365 3.029 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000367317739 533495584 /nfs/dbraw/zinc/49/55/84/533495584.db2.gz BKZGQNQSSPTDHR-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000367317739 533495594 /nfs/dbraw/zinc/49/55/94/533495594.db2.gz BKZGQNQSSPTDHR-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO C[C@@H](SCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000190872855 130155890 /nfs/dbraw/zinc/15/58/90/130155890.db2.gz PSQSTBCQGMHQMX-GFCCVEGCSA-N 1 2 257.362 3.249 20 30 CGEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC(F)F ZINC000097079050 392258746 /nfs/dbraw/zinc/25/87/46/392258746.db2.gz HIUHDXTXGCPEKU-LLVKDONJSA-N 1 2 298.333 3.421 20 30 CGEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC(F)F ZINC000097079050 392258749 /nfs/dbraw/zinc/25/87/49/392258749.db2.gz HIUHDXTXGCPEKU-LLVKDONJSA-N 1 2 298.333 3.421 20 30 CGEDLO CSc1ccc(NCc2cccc(C#N)c2)[nH+]c1 ZINC000150878979 392481720 /nfs/dbraw/zinc/48/17/20/392481720.db2.gz GTUKYMLRBJJBBA-UHFFFAOYSA-N 1 2 255.346 3.287 20 30 CGEDLO C=CC[N@H+](Cc1coc(C)n1)Cc1ccc(OC)cc1 ZINC000647959856 392845393 /nfs/dbraw/zinc/84/53/93/392845393.db2.gz QSMALNPPNRYKEV-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1coc(C)n1)Cc1ccc(OC)cc1 ZINC000647959856 392845399 /nfs/dbraw/zinc/84/53/99/392845399.db2.gz QSMALNPPNRYKEV-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO COCc1ccc(NCc2ccc(C)[nH+]c2C)cc1C#N ZINC000530121020 392984713 /nfs/dbraw/zinc/98/47/13/392984713.db2.gz DNOAHEPMWLFQKD-UHFFFAOYSA-N 1 2 281.359 3.329 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000348836544 393132415 /nfs/dbraw/zinc/13/24/15/393132415.db2.gz DACIXZMSVPOPHV-AWEZNQCLSA-N 1 2 267.319 3.481 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000348836544 393132421 /nfs/dbraw/zinc/13/24/21/393132421.db2.gz DACIXZMSVPOPHV-AWEZNQCLSA-N 1 2 267.319 3.481 20 30 CGEDLO C=C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000353336434 393219053 /nfs/dbraw/zinc/21/90/53/393219053.db2.gz YKKYQYNRYOICOG-UHFFFAOYSA-N 1 2 256.271 3.252 20 30 CGEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356198920 393379337 /nfs/dbraw/zinc/37/93/37/393379337.db2.gz XJPIXWFLMKKBOI-CQSZACIVSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356198920 393379342 /nfs/dbraw/zinc/37/93/42/393379342.db2.gz XJPIXWFLMKKBOI-CQSZACIVSA-N 1 2 299.399 3.360 20 30 CGEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000356516510 393470528 /nfs/dbraw/zinc/47/05/28/393470528.db2.gz MGNLGVGCSAWQOC-INIZCTEOSA-N 1 2 297.402 3.058 20 30 CGEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000356516510 393470533 /nfs/dbraw/zinc/47/05/33/393470533.db2.gz MGNLGVGCSAWQOC-INIZCTEOSA-N 1 2 297.402 3.058 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361060495 393660480 /nfs/dbraw/zinc/66/04/80/393660480.db2.gz WNYOZEIMQLDBBU-LBTNJELSSA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361060495 393660486 /nfs/dbraw/zinc/66/04/86/393660486.db2.gz WNYOZEIMQLDBBU-LBTNJELSSA-N 1 2 299.418 3.006 20 30 CGEDLO CN(Cc1ccc(C#N)cc1)c1[nH+]c2cccc(F)c2n1C ZINC000443520543 393761927 /nfs/dbraw/zinc/76/19/27/393761927.db2.gz ZQOUEMCFTCWYMB-UHFFFAOYSA-N 1 2 294.333 3.220 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000453250733 394220741 /nfs/dbraw/zinc/22/07/41/394220741.db2.gz SOKIDLUMOWLVFY-CHWSQXEVSA-N 1 2 250.292 3.179 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC000668823020 543067931 /nfs/dbraw/zinc/06/79/31/543067931.db2.gz COLISKBYNQTRNF-MRXNPFEDSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC000668823020 543067933 /nfs/dbraw/zinc/06/79/33/543067933.db2.gz COLISKBYNQTRNF-MRXNPFEDSA-N 1 2 297.345 3.107 20 30 CGEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439443046 397703283 /nfs/dbraw/zinc/70/32/83/397703283.db2.gz STSFMQYTMAEYOV-HNNXBMFYSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439443046 397703280 /nfs/dbraw/zinc/70/32/80/397703280.db2.gz STSFMQYTMAEYOV-HNNXBMFYSA-N 1 2 292.810 3.459 20 30 CGEDLO COCC#CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000677133436 543435390 /nfs/dbraw/zinc/43/53/90/543435390.db2.gz VJXLVYISZPEDNO-HNNXBMFYSA-N 1 2 295.835 3.080 20 30 CGEDLO COCC#CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000677133436 543435392 /nfs/dbraw/zinc/43/53/92/543435392.db2.gz VJXLVYISZPEDNO-HNNXBMFYSA-N 1 2 295.835 3.080 20 30 CGEDLO COCC#CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000677819074 543467935 /nfs/dbraw/zinc/46/79/35/543467935.db2.gz QCMMWZWYYBMBDJ-MRXNPFEDSA-N 1 2 279.330 3.142 20 30 CGEDLO COCC#CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000677819074 543467938 /nfs/dbraw/zinc/46/79/38/543467938.db2.gz QCMMWZWYYBMBDJ-MRXNPFEDSA-N 1 2 279.330 3.142 20 30 CGEDLO COc1c(C)c[nH+]c(CN(C)c2ccc(F)cc2C#N)c1C ZINC000080970866 287069762 /nfs/dbraw/zinc/06/97/62/287069762.db2.gz RHPYMKQKKLHOAP-UHFFFAOYSA-N 1 2 299.349 3.354 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000347043189 226026796 /nfs/dbraw/zinc/02/67/96/226026796.db2.gz CYZFATCPZUYXIL-UHFFFAOYSA-N 1 2 289.423 3.469 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000347043189 226026798 /nfs/dbraw/zinc/02/67/98/226026798.db2.gz CYZFATCPZUYXIL-UHFFFAOYSA-N 1 2 289.423 3.469 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347652102 226227588 /nfs/dbraw/zinc/22/75/88/226227588.db2.gz PUOCNCVNXZCZNW-BYCRGOAPSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347652102 226227593 /nfs/dbraw/zinc/22/75/93/226227593.db2.gz PUOCNCVNXZCZNW-BYCRGOAPSA-N 1 2 250.292 3.069 20 30 CGEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccccc2C)nn1 ZINC000653486696 419036241 /nfs/dbraw/zinc/03/62/41/419036241.db2.gz LQSFBVFUNOJDGX-UHFFFAOYSA-N 1 2 284.407 3.185 20 30 CGEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccccc2C)nn1 ZINC000653486696 419036245 /nfs/dbraw/zinc/03/62/45/419036245.db2.gz LQSFBVFUNOJDGX-UHFFFAOYSA-N 1 2 284.407 3.185 20 30 CGEDLO C=CC[N@@H+](Cc1csc(CCC)n1)[C@H](C)COC ZINC000661245310 419244805 /nfs/dbraw/zinc/24/48/05/419244805.db2.gz AATAFSLIRABSDS-GFCCVEGCSA-N 1 2 268.426 3.119 20 30 CGEDLO C=CC[N@H+](Cc1csc(CCC)n1)[C@H](C)COC ZINC000661245310 419244807 /nfs/dbraw/zinc/24/48/07/419244807.db2.gz AATAFSLIRABSDS-GFCCVEGCSA-N 1 2 268.426 3.119 20 30 CGEDLO C=CCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661540324 419270448 /nfs/dbraw/zinc/27/04/48/419270448.db2.gz LBZLJKAWZXKSRB-JTQLQIEISA-N 1 2 271.286 3.208 20 30 CGEDLO C=CCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661540324 419270449 /nfs/dbraw/zinc/27/04/49/419270449.db2.gz LBZLJKAWZXKSRB-JTQLQIEISA-N 1 2 271.286 3.208 20 30 CGEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000336239536 228219390 /nfs/dbraw/zinc/21/93/90/228219390.db2.gz XUYGSBLKAAMFHL-QGHHPUGFSA-N 1 2 296.374 3.349 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000298533189 260156893 /nfs/dbraw/zinc/15/68/93/260156893.db2.gz MJZIVAPZLYYTQW-JTQLQIEISA-N 1 2 263.291 3.057 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000298533189 260156894 /nfs/dbraw/zinc/15/68/94/260156894.db2.gz MJZIVAPZLYYTQW-JTQLQIEISA-N 1 2 263.291 3.057 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000058575456 260227098 /nfs/dbraw/zinc/22/70/98/260227098.db2.gz SMDFIHBGKVELHN-JTQLQIEISA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000058575456 260227100 /nfs/dbraw/zinc/22/71/00/260227100.db2.gz SMDFIHBGKVELHN-JTQLQIEISA-N 1 2 256.271 3.439 20 30 CGEDLO COc1ccc(COCCC/[NH+]=C/c2ccccc2O)cc1 ZINC000066255499 260244887 /nfs/dbraw/zinc/24/48/87/260244887.db2.gz BEWSDDOYIAMQMT-CPNJWEJPSA-N 1 2 299.370 3.427 20 30 CGEDLO C[N@H+](CCOc1cccc(Cl)c1)C[C@H](C#N)CCC#N ZINC000070869604 260270723 /nfs/dbraw/zinc/27/07/23/260270723.db2.gz IBZITYCIZZKSFH-ZDUSSCGKSA-N 1 2 291.782 3.094 20 30 CGEDLO C[N@@H+](CCOc1cccc(Cl)c1)C[C@H](C#N)CCC#N ZINC000070869604 260270724 /nfs/dbraw/zinc/27/07/24/260270724.db2.gz IBZITYCIZZKSFH-ZDUSSCGKSA-N 1 2 291.782 3.094 20 30 CGEDLO C#CC(C)(C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000490657273 261178902 /nfs/dbraw/zinc/17/89/02/261178902.db2.gz SJVOIZWMMDECAX-UHFFFAOYSA-N 1 2 294.354 3.324 20 30 CGEDLO C[C@@H](CC#N)N(C)Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754153 261259663 /nfs/dbraw/zinc/25/96/63/261259663.db2.gz OZCBXKBDDYXOQB-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@@H](CC#N)N(C)Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754153 261259664 /nfs/dbraw/zinc/25/96/64/261259664.db2.gz OZCBXKBDDYXOQB-HOTGVXAUSA-N 1 2 298.434 3.155 20 30 CGEDLO CC1([N@H+](CC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000104078849 261289754 /nfs/dbraw/zinc/28/97/54/261289754.db2.gz ZRDPBKKDGMIXNP-UHFFFAOYSA-N 1 2 272.348 3.074 20 30 CGEDLO CC1([N@@H+](CC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000104078849 261289757 /nfs/dbraw/zinc/28/97/57/261289757.db2.gz ZRDPBKKDGMIXNP-UHFFFAOYSA-N 1 2 272.348 3.074 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186689999 262105812 /nfs/dbraw/zinc/10/58/12/262105812.db2.gz PCVCFIBNDFLHKA-GFCCVEGCSA-N 1 2 274.364 3.066 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186689999 262105813 /nfs/dbraw/zinc/10/58/13/262105813.db2.gz PCVCFIBNDFLHKA-GFCCVEGCSA-N 1 2 274.364 3.066 20 30 CGEDLO Cc1ccc(Cc2noc(C3(C#N)CCCCC3)n2)c[nH+]1 ZINC000274016901 263020817 /nfs/dbraw/zinc/02/08/17/263020817.db2.gz WXAWFBWIUNANPE-UHFFFAOYSA-N 1 2 282.347 3.089 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279729057 263057045 /nfs/dbraw/zinc/05/70/45/263057045.db2.gz VSZOJETVVSPRGW-NSHDSACASA-N 1 2 299.340 3.363 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279729057 263057046 /nfs/dbraw/zinc/05/70/46/263057046.db2.gz VSZOJETVVSPRGW-NSHDSACASA-N 1 2 299.340 3.363 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)nn1C ZINC000282013580 263073665 /nfs/dbraw/zinc/07/36/65/263073665.db2.gz DRVWVQCZPQWQDI-ZBFHGGJFSA-N 1 2 282.391 3.424 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCCC12CCOCC2 ZINC000282380667 263076286 /nfs/dbraw/zinc/07/62/86/263076286.db2.gz ACCQQSZMHJHRHB-YSKWHIJTSA-N 1 2 259.349 3.160 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N(CCC#N)Cc1ccco1 ZINC000287529511 263102148 /nfs/dbraw/zinc/10/21/48/263102148.db2.gz NHVFVNRZQMBOCK-UHFFFAOYSA-N 1 2 298.346 3.239 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCc1nc(-c2ccccc2)no1 ZINC000292394641 263131886 /nfs/dbraw/zinc/13/18/86/263131886.db2.gz ZXLUEXLEUZLHSX-UHFFFAOYSA-N 1 2 296.374 3.071 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCc1nc(-c2ccccc2)no1 ZINC000292394641 263131887 /nfs/dbraw/zinc/13/18/87/263131887.db2.gz ZXLUEXLEUZLHSX-UHFFFAOYSA-N 1 2 296.374 3.071 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000393795966 263177730 /nfs/dbraw/zinc/17/77/30/263177730.db2.gz ITPNOPVHYCXHOB-LSDHHAIUSA-N 1 2 261.365 3.235 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)c(F)c1O ZINC000296347120 263190412 /nfs/dbraw/zinc/19/04/12/263190412.db2.gz IDFAULBVCGFFLK-VWYCJHECSA-N 1 2 280.318 3.403 20 30 CGEDLO C=CCCCCCS[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341998498 263373627 /nfs/dbraw/zinc/37/36/27/263373627.db2.gz FTPFNIMTXLSYLP-OAHLLOKOSA-N 1 2 298.496 3.019 20 30 CGEDLO C=CCOCCCSCCc1[nH+]c2ccccc2n1C ZINC000342019022 263379352 /nfs/dbraw/zinc/37/93/52/263379352.db2.gz KXWCLGWCJOFTBB-UHFFFAOYSA-N 1 2 290.432 3.442 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000341993043 263382245 /nfs/dbraw/zinc/38/22/45/263382245.db2.gz OAYYZFYXJJGVLD-UHFFFAOYSA-N 1 2 293.436 3.019 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000341990561 263382310 /nfs/dbraw/zinc/38/23/10/263382310.db2.gz CYQXVPZVTFDYIY-ZDUSSCGKSA-N 1 2 276.355 3.113 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCC(F)(F)C(F)F)c(C)[nH+]1 ZINC000331349735 264205833 /nfs/dbraw/zinc/20/58/33/264205833.db2.gz XYEMVKYBISFUST-UHFFFAOYSA-N 1 2 293.264 3.233 20 30 CGEDLO Cc1ccc(Cl)cc1N1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343262293 264252988 /nfs/dbraw/zinc/25/29/88/264252988.db2.gz VARWRWUKGLHXOG-UHFFFAOYSA-N 1 2 289.810 3.074 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C)nc1C)Cc1ccccc1F ZINC000092404542 264460344 /nfs/dbraw/zinc/46/03/44/264460344.db2.gz HVSJKYPZYOPUBF-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=CC[N@H+](Cc1cn(C)nc1C)Cc1ccccc1F ZINC000092404542 264460346 /nfs/dbraw/zinc/46/03/46/264460346.db2.gz HVSJKYPZYOPUBF-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=CCCC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000282846673 264511330 /nfs/dbraw/zinc/51/13/30/264511330.db2.gz FVFYUUPIKDHZJA-UHFFFAOYSA-N 1 2 283.375 3.262 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)c1 ZINC000350555957 265275955 /nfs/dbraw/zinc/27/59/55/265275955.db2.gz IQMCOJGTKUXDLU-INIZCTEOSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)c1 ZINC000350555957 265275959 /nfs/dbraw/zinc/27/59/59/265275959.db2.gz IQMCOJGTKUXDLU-INIZCTEOSA-N 1 2 298.411 3.063 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000352442631 265963000 /nfs/dbraw/zinc/96/30/00/265963000.db2.gz UUOJDYJPDWDGNR-UHFFFAOYSA-N 1 2 252.720 3.168 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](CC)O1 ZINC000398540890 266379447 /nfs/dbraw/zinc/37/94/47/266379447.db2.gz UUBOYKFWXBJGSR-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](CC)O1 ZINC000398540890 266379450 /nfs/dbraw/zinc/37/94/50/266379450.db2.gz UUBOYKFWXBJGSR-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[N@H+](Cc1ncc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000336840913 279243548 /nfs/dbraw/zinc/24/35/48/279243548.db2.gz YDWYJJLWNBWQLL-CQSZACIVSA-N 1 2 280.375 3.240 20 30 CGEDLO CC[N@@H+](Cc1ncc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000336840913 279243550 /nfs/dbraw/zinc/24/35/50/279243550.db2.gz YDWYJJLWNBWQLL-CQSZACIVSA-N 1 2 280.375 3.240 20 30 CGEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000177256727 294387988 /nfs/dbraw/zinc/38/79/88/294387988.db2.gz BGAHVAAENHUTJA-KRWDZBQOSA-N 1 2 283.350 3.373 20 30 CGEDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000177256727 294387993 /nfs/dbraw/zinc/38/79/93/294387993.db2.gz BGAHVAAENHUTJA-KRWDZBQOSA-N 1 2 283.350 3.373 20 30 CGEDLO N#CC1(C[N@@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000336171342 303142280 /nfs/dbraw/zinc/14/22/80/303142280.db2.gz CZIHQXICSHBLKE-CQSZACIVSA-N 1 2 258.390 3.080 20 30 CGEDLO N#CC1(C[N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000336171342 303142282 /nfs/dbraw/zinc/14/22/82/303142282.db2.gz CZIHQXICSHBLKE-CQSZACIVSA-N 1 2 258.390 3.080 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)nc1 ZINC000563348879 328056445 /nfs/dbraw/zinc/05/64/45/328056445.db2.gz CVMQIRSOQQNUBZ-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)nc1 ZINC000563348879 328056446 /nfs/dbraw/zinc/05/64/46/328056446.db2.gz CVMQIRSOQQNUBZ-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO COC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000571516684 328130893 /nfs/dbraw/zinc/13/08/93/328130893.db2.gz ZFJUMZDIGPAPIX-IUODEOHRSA-N 1 2 291.782 3.061 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2(C)CCOCC2)c1O ZINC000267808409 328180478 /nfs/dbraw/zinc/18/04/78/328180478.db2.gz SDMMWZQMUSTSRC-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CC(C)N(CCC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000535077502 328384779 /nfs/dbraw/zinc/38/47/79/328384779.db2.gz QRAUHNXZTBFYPA-UHFFFAOYSA-N 1 2 276.771 3.112 20 30 CGEDLO C=C(C)CCc1noc(CCc2c[nH+]cc(C)c2)n1 ZINC000293089167 328543407 /nfs/dbraw/zinc/54/34/07/328543407.db2.gz RZQQBJTWUMXFHA-UHFFFAOYSA-N 1 2 257.337 3.067 20 30 CGEDLO Cc1noc([C@@H](C)[N@H+](C)CCC2(C#N)CCCCC2)n1 ZINC000569469323 327182434 /nfs/dbraw/zinc/18/24/34/327182434.db2.gz UGQDNJHFAOPIRS-GFCCVEGCSA-N 1 2 276.384 3.235 20 30 CGEDLO Cc1noc([C@@H](C)[N@@H+](C)CCC2(C#N)CCCCC2)n1 ZINC000569469323 327182435 /nfs/dbraw/zinc/18/24/35/327182435.db2.gz UGQDNJHFAOPIRS-GFCCVEGCSA-N 1 2 276.384 3.235 20 30 CGEDLO N#CC[N@H+](CCN1CCCc2ccccc21)C1CCCC1 ZINC000536378915 327234206 /nfs/dbraw/zinc/23/42/06/327234206.db2.gz OKYRVVVQNYFOFW-UHFFFAOYSA-N 1 2 283.419 3.207 20 30 CGEDLO N#CC[N@@H+](CCN1CCCc2ccccc21)C1CCCC1 ZINC000536378915 327234207 /nfs/dbraw/zinc/23/42/07/327234207.db2.gz OKYRVVVQNYFOFW-UHFFFAOYSA-N 1 2 283.419 3.207 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000555761917 327249829 /nfs/dbraw/zinc/24/98/29/327249829.db2.gz QJGVBXDPLVPWQH-LLVKDONJSA-N 1 2 289.379 3.360 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000555761917 327249830 /nfs/dbraw/zinc/24/98/30/327249830.db2.gz QJGVBXDPLVPWQH-LLVKDONJSA-N 1 2 289.379 3.360 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)cn1 ZINC000583448515 327372163 /nfs/dbraw/zinc/37/21/63/327372163.db2.gz DTMJBEOZQXUBME-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)cn1 ZINC000583448515 327372164 /nfs/dbraw/zinc/37/21/64/327372164.db2.gz DTMJBEOZQXUBME-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CC[C@@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177186254 329180595 /nfs/dbraw/zinc/18/05/95/329180595.db2.gz DNNJJAWOZFUUDN-OAHLLOKOSA-N 1 2 297.320 3.168 20 30 CGEDLO CC[C@@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177186254 329180597 /nfs/dbraw/zinc/18/05/97/329180597.db2.gz DNNJJAWOZFUUDN-OAHLLOKOSA-N 1 2 297.320 3.168 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1F ZINC000178955701 329202805 /nfs/dbraw/zinc/20/28/05/329202805.db2.gz FHMVURTWBYDFKB-UHFFFAOYSA-N 1 2 271.310 3.448 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1F ZINC000178955701 329202806 /nfs/dbraw/zinc/20/28/06/329202806.db2.gz FHMVURTWBYDFKB-UHFFFAOYSA-N 1 2 271.310 3.448 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000181289833 329229914 /nfs/dbraw/zinc/22/99/14/329229914.db2.gz YSVYMUQDFUGIRT-UHFFFAOYSA-N 1 2 259.378 3.213 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000181289833 329229916 /nfs/dbraw/zinc/22/99/16/329229916.db2.gz YSVYMUQDFUGIRT-UHFFFAOYSA-N 1 2 259.378 3.213 20 30 CGEDLO C=CCC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC000583247212 329395963 /nfs/dbraw/zinc/39/59/63/329395963.db2.gz PEVLXGLFIWMBPX-ZDUSSCGKSA-N 1 2 287.407 3.225 20 30 CGEDLO C=CCC1(NC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CCCCC1 ZINC000583247212 329395965 /nfs/dbraw/zinc/39/59/65/329395965.db2.gz PEVLXGLFIWMBPX-ZDUSSCGKSA-N 1 2 287.407 3.225 20 30 CGEDLO C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000125370742 329581929 /nfs/dbraw/zinc/58/19/29/329581929.db2.gz IWTRRXZUUSVYHJ-ZDUSSCGKSA-N 1 2 299.374 3.007 20 30 CGEDLO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423210152 330177612 /nfs/dbraw/zinc/17/76/12/330177612.db2.gz VZMXGAALCTYPNP-HNNXBMFYSA-N 1 2 296.361 3.169 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)nn1 ZINC000424121941 330253922 /nfs/dbraw/zinc/25/39/22/330253922.db2.gz GILBMJRCRGUOSH-SNVBAGLBSA-N 1 2 294.761 3.107 20 30 CGEDLO N#CC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000528053514 330306136 /nfs/dbraw/zinc/30/61/36/330306136.db2.gz YHBXNXPCOJUOLE-ZDUSSCGKSA-N 1 2 251.333 3.365 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000121194930 330397560 /nfs/dbraw/zinc/39/75/60/330397560.db2.gz DIDPEWUBQPRQIB-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000121194930 330397561 /nfs/dbraw/zinc/39/75/61/330397561.db2.gz DIDPEWUBQPRQIB-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cccc2cccnc21)C(=O)OCC ZINC000449653751 330942110 /nfs/dbraw/zinc/94/21/10/330942110.db2.gz CSGDMENXQYLVGZ-INIZCTEOSA-N 1 2 298.386 3.222 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)cn1 ZINC000450893278 331005230 /nfs/dbraw/zinc/00/52/30/331005230.db2.gz RHPDFNROWHBKGE-SNVBAGLBSA-N 1 2 294.196 3.189 20 30 CGEDLO CCOc1ccc([C@@H](COC)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450945947 331008357 /nfs/dbraw/zinc/00/83/57/331008357.db2.gz VYAWFUHHKUJXKE-MRXNPFEDSA-N 1 2 288.391 3.056 20 30 CGEDLO C=CCC1(NC(=O)Nc2cc[nH+]cc2C)CCCCC1 ZINC000455032815 331159219 /nfs/dbraw/zinc/15/92/19/331159219.db2.gz JLZODRIXWFCEFH-UHFFFAOYSA-N 1 2 273.380 3.212 20 30 CGEDLO C=C(C)CCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000459003791 331265828 /nfs/dbraw/zinc/26/58/28/331265828.db2.gz PCLGDOOTPZRQOH-HNNXBMFYSA-N 1 2 298.390 3.107 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000489477201 332055045 /nfs/dbraw/zinc/05/50/45/332055045.db2.gz LUQPOODWQLHNOA-GFCCVEGCSA-N 1 2 278.783 3.319 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC000489477201 332055046 /nfs/dbraw/zinc/05/50/46/332055046.db2.gz LUQPOODWQLHNOA-GFCCVEGCSA-N 1 2 278.783 3.319 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000489491057 332056046 /nfs/dbraw/zinc/05/60/46/332056046.db2.gz BQEIQYHBAZJRHN-GFCCVEGCSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000489491057 332056047 /nfs/dbraw/zinc/05/60/47/332056047.db2.gz BQEIQYHBAZJRHN-GFCCVEGCSA-N 1 2 296.773 3.458 20 30 CGEDLO C#C[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C(C)C ZINC000490631153 332097621 /nfs/dbraw/zinc/09/76/21/332097621.db2.gz SZZCFXXNUAWIKE-QGZVFWFLSA-N 1 2 294.354 3.262 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(CC)o1)[C@@H]1CCc2ccccc21 ZINC000490740341 332110783 /nfs/dbraw/zinc/11/07/83/332110783.db2.gz JZOFFAWOIQKSMU-QGZVFWFLSA-N 1 2 280.371 3.360 20 30 CGEDLO C#CC[N@H+](Cc1ncc(CC)o1)[C@@H]1CCc2ccccc21 ZINC000490740341 332110785 /nfs/dbraw/zinc/11/07/85/332110785.db2.gz JZOFFAWOIQKSMU-QGZVFWFLSA-N 1 2 280.371 3.360 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000491263968 332176312 /nfs/dbraw/zinc/17/63/12/332176312.db2.gz CTXHNWRCXGJEPM-UHFFFAOYSA-N 1 2 273.376 3.132 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000491263968 332176313 /nfs/dbraw/zinc/17/63/13/332176313.db2.gz CTXHNWRCXGJEPM-UHFFFAOYSA-N 1 2 273.376 3.132 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC)c1ccc(Cl)cc1F ZINC000491307303 332186947 /nfs/dbraw/zinc/18/69/47/332186947.db2.gz PRKSXCRCGWNIFW-OAHLLOKOSA-N 1 2 291.757 3.160 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000491623084 332247891 /nfs/dbraw/zinc/24/78/91/332247891.db2.gz HRRJFBWPYOHPCQ-WFASDCNBSA-N 1 2 254.308 3.246 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000500802600 332619275 /nfs/dbraw/zinc/61/92/75/332619275.db2.gz SGRIGPLUQINGRG-KBPBESRZSA-N 1 2 281.783 3.498 20 30 CGEDLO CCN(CC)c1ccc(N[C@H]2CCC[C@@H](C#N)C2)c[nH+]1 ZINC000185868210 333150721 /nfs/dbraw/zinc/15/07/21/333150721.db2.gz FOWXMVUJJSTZCF-KGLIPLIRSA-N 1 2 272.396 3.422 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000192228511 333233222 /nfs/dbraw/zinc/23/32/22/333233222.db2.gz ZFXHGAHWFKDCKW-HNNXBMFYSA-N 1 2 292.382 3.246 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000192228511 333233224 /nfs/dbraw/zinc/23/32/24/333233224.db2.gz ZFXHGAHWFKDCKW-HNNXBMFYSA-N 1 2 292.382 3.246 20 30 CGEDLO N#CCC1CC[NH+](Cc2ncc(C(F)(F)F)s2)CC1 ZINC000576442928 335203922 /nfs/dbraw/zinc/20/39/22/335203922.db2.gz PTDNKLZLFZMVQX-UHFFFAOYSA-N 1 2 289.326 3.288 20 30 CGEDLO CC(C)OC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000577695746 335389702 /nfs/dbraw/zinc/38/97/02/335389702.db2.gz MBLJYVKHKSCGCG-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1nc2ccccc2[nH]1 ZINC000577741209 335395158 /nfs/dbraw/zinc/39/51/58/335395158.db2.gz AAUYXEYGDIGTFR-CZUORRHYSA-N 1 2 295.390 3.293 20 30 CGEDLO CCc1nc(C[N@H+](C)CCC(C)(C)C#N)cs1 ZINC000382658289 336095875 /nfs/dbraw/zinc/09/58/75/336095875.db2.gz PDEUHTLPFTZSDK-UHFFFAOYSA-N 1 2 251.399 3.077 20 30 CGEDLO CCc1nc(C[N@@H+](C)CCC(C)(C)C#N)cs1 ZINC000382658289 336095877 /nfs/dbraw/zinc/09/58/77/336095877.db2.gz PDEUHTLPFTZSDK-UHFFFAOYSA-N 1 2 251.399 3.077 20 30 CGEDLO Cc1ccc(-c2cnc(C[NH+]3CCC(F)(C#N)CC3)o2)cc1 ZINC000352484969 534194392 /nfs/dbraw/zinc/19/43/92/534194392.db2.gz VYIHQFMJXBEWGY-UHFFFAOYSA-N 1 2 299.349 3.478 20 30 CGEDLO CC1=C(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330321496 528067994 /nfs/dbraw/zinc/06/79/94/528067994.db2.gz FZWQSPPKSHWPPY-IUODEOHRSA-N 1 2 289.379 3.097 20 30 CGEDLO CC(C)c1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425544972 528498609 /nfs/dbraw/zinc/49/86/09/528498609.db2.gz SYEJVKUNPLCJLL-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425544972 528498613 /nfs/dbraw/zinc/49/86/13/528498613.db2.gz SYEJVKUNPLCJLL-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO CCCCOC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425231727 528573368 /nfs/dbraw/zinc/57/33/68/528573368.db2.gz NOARSVBHCVLQHA-UHFFFAOYSA-N 1 2 273.380 3.047 20 30 CGEDLO CCCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425204351 528664528 /nfs/dbraw/zinc/66/45/28/528664528.db2.gz HIDCCXXTWRCGPD-UHFFFAOYSA-N 1 2 281.359 3.085 20 30 CGEDLO CCC(CC)c1cc(CNc2cc(C)[nH+]cc2C#N)on1 ZINC000425222776 528877780 /nfs/dbraw/zinc/87/77/80/528877780.db2.gz BEEXYZQUXWOVSB-UHFFFAOYSA-N 1 2 284.363 3.187 20 30 CGEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000728569471 571810882 /nfs/dbraw/zinc/81/08/82/571810882.db2.gz UXBHLMRWYCOPGH-UHFFFAOYSA-N 1 2 283.306 3.053 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)ccc1O ZINC000740765672 571876623 /nfs/dbraw/zinc/87/66/23/571876623.db2.gz NAVSLROEZJUBGQ-VURMDHGXSA-N 1 2 278.311 3.244 20 30 CGEDLO Nc1[nH+]cccc1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000746576402 571974347 /nfs/dbraw/zinc/97/43/47/571974347.db2.gz NCTIVIJEFDCTFZ-UHFFFAOYSA-N 1 2 295.264 3.233 20 30 CGEDLO Nc1ncccc1C=[NH+]OCc1ccc(C(F)(F)F)cc1 ZINC000746576402 571974349 /nfs/dbraw/zinc/97/43/49/571974349.db2.gz NCTIVIJEFDCTFZ-UHFFFAOYSA-N 1 2 295.264 3.233 20 30 CGEDLO Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1[nH]cc[nH+]1 ZINC000731156604 572398121 /nfs/dbraw/zinc/39/81/21/572398121.db2.gz IFVZIQMZKVVNIR-FPLPWBNLSA-N 1 2 278.315 3.004 20 30 CGEDLO Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1[nH]cc[nH+]1 ZINC000731156604 572398124 /nfs/dbraw/zinc/39/81/24/572398124.db2.gz IFVZIQMZKVVNIR-FPLPWBNLSA-N 1 2 278.315 3.004 20 30 CGEDLO COc1ccc2oc(C(=O)/C=C/c3[nH]cc[nH+]3)c(C)c2c1 ZINC000731159581 572398893 /nfs/dbraw/zinc/39/88/93/572398893.db2.gz UBLCQCJWXUPXIJ-GQCTYLIASA-N 1 2 282.299 3.369 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)OCCC ZINC000741782448 572526629 /nfs/dbraw/zinc/52/66/29/572526629.db2.gz PMCSAVZPMGETEN-CQSZACIVSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)OCCC ZINC000741782448 572526631 /nfs/dbraw/zinc/52/66/31/572526631.db2.gz PMCSAVZPMGETEN-CQSZACIVSA-N 1 2 291.391 3.025 20 30 CGEDLO CO[C@H](C)CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000726428478 572576790 /nfs/dbraw/zinc/57/67/90/572576790.db2.gz BKOMIGNHNJOTDO-ZSAINHDTSA-N 1 2 257.333 3.389 20 30 CGEDLO CCCCCCCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733985465 572623996 /nfs/dbraw/zinc/62/39/96/572623996.db2.gz FQXYVRWBVZLQEA-UHFFFAOYSA-N 1 2 277.412 3.407 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCc2c[nH]c3ccc(F)cc23)c1O ZINC000734979764 572694325 /nfs/dbraw/zinc/69/43/25/572694325.db2.gz UNQPAOMPMJIDMZ-DJKKODMXSA-N 1 2 298.317 3.380 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2Cc3ccccc3C2)c1O ZINC000735228672 572707313 /nfs/dbraw/zinc/70/73/13/572707313.db2.gz DWVAANKOSYZDPI-XDHOZWIPSA-N 1 2 281.355 3.235 20 30 CGEDLO COc1ccc(C)cc1CC/[NH+]=C\c1cccc(O)c1O ZINC000747712886 572942699 /nfs/dbraw/zinc/94/26/99/572942699.db2.gz KBIKMZHXILCYLB-WQRHYEAKSA-N 1 2 285.343 3.076 20 30 CGEDLO CC(=[NH+]Nc1ccccn1)c1ccc(N2CCCC2)cc1O ZINC000748243980 572970412 /nfs/dbraw/zinc/97/04/12/572970412.db2.gz GAEWRUNQRYCIRR-UHFFFAOYSA-N 1 2 296.374 3.224 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000749117957 572989440 /nfs/dbraw/zinc/98/94/40/572989440.db2.gz URFNZHUGLYBIAZ-LLVKDONJSA-N 1 2 263.212 3.442 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000749117957 572989441 /nfs/dbraw/zinc/98/94/41/572989441.db2.gz URFNZHUGLYBIAZ-LLVKDONJSA-N 1 2 263.212 3.442 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CC1CCC(OC)CC1 ZINC000749931975 573062805 /nfs/dbraw/zinc/06/28/05/573062805.db2.gz YJZJTLYOIZCWRK-BOPFTXTBSA-N 1 2 277.364 3.025 20 30 CGEDLO CC(C)CCN(CCC#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000750604469 573155118 /nfs/dbraw/zinc/15/51/18/573155118.db2.gz OBTBGWMLVUFRRP-UHFFFAOYSA-N 1 2 299.378 3.128 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccnn1C1CCC1 ZINC000899397728 620690533 /nfs/dbraw/zinc/69/05/33/620690533.db2.gz UPARIZXPSRIYPO-VOTSOKGWSA-N 1 2 284.363 3.282 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC000957307629 613296442 /nfs/dbraw/zinc/29/64/42/613296442.db2.gz GUWIOYORTBILIR-UHFFFAOYSA-N 1 2 292.810 3.062 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000957340116 613317806 /nfs/dbraw/zinc/31/78/06/613317806.db2.gz CEIVSHWQXNNZKZ-INIZCTEOSA-N 1 2 296.430 3.015 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969372896 613371648 /nfs/dbraw/zinc/37/16/48/613371648.db2.gz LCZHLDGOJGPJAN-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C#CC[C@@H](Cc1ccccc1)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000804808984 617847913 /nfs/dbraw/zinc/84/79/13/617847913.db2.gz ZARFBTYOTVYONR-HNNXBMFYSA-N 1 2 290.370 3.313 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891715234 618255201 /nfs/dbraw/zinc/25/52/01/618255201.db2.gz BENIQZBCLMDYJN-CQSZACIVSA-N 1 2 281.359 3.465 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891715234 618255212 /nfs/dbraw/zinc/25/52/12/618255212.db2.gz BENIQZBCLMDYJN-CQSZACIVSA-N 1 2 281.359 3.465 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000934464315 618625917 /nfs/dbraw/zinc/62/59/17/618625917.db2.gz DQAZHTFCHCQDHG-ZDUSSCGKSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1noc(-c2ccccc2C)n1 ZINC000934464315 618625919 /nfs/dbraw/zinc/62/59/19/618625919.db2.gz DQAZHTFCHCQDHG-ZDUSSCGKSA-N 1 2 269.348 3.195 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](CCC#N)CC(C)C ZINC000049800741 618642827 /nfs/dbraw/zinc/64/28/27/618642827.db2.gz IYHCSDSTZFFMKF-UHFFFAOYSA-N 1 2 260.381 3.375 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](CCC#N)CC(C)C ZINC000049800741 618642829 /nfs/dbraw/zinc/64/28/29/618642829.db2.gz IYHCSDSTZFFMKF-UHFFFAOYSA-N 1 2 260.381 3.375 20 30 CGEDLO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1O ZINC000926531108 618727345 /nfs/dbraw/zinc/72/73/45/618727345.db2.gz GDRLDDGFTVPUJO-CQDKDKBSSA-N 1 2 296.374 3.207 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926872761 618959470 /nfs/dbraw/zinc/95/94/70/618959470.db2.gz AFAVZRJVKFXSND-LBPRGKRZSA-N 1 2 263.772 3.252 20 30 CGEDLO C#CCOc1ccccc1NCc1c[nH+]c2ccc(C)cn12 ZINC000185172813 625315667 /nfs/dbraw/zinc/31/56/67/625315667.db2.gz KIJBVZJRQQPKBI-UHFFFAOYSA-N 1 2 291.354 3.267 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)cs1 ZINC000893426699 619172430 /nfs/dbraw/zinc/17/24/30/619172430.db2.gz CVENXZGFJLAXRF-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3cc(F)ccc3C2)cs1 ZINC000893426699 619172433 /nfs/dbraw/zinc/17/24/33/619172433.db2.gz CVENXZGFJLAXRF-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000894003844 619350379 /nfs/dbraw/zinc/35/03/79/619350379.db2.gz STGAQYSTMGHAHH-UHFFFAOYSA-N 1 2 288.347 3.148 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000894003844 619350381 /nfs/dbraw/zinc/35/03/81/619350381.db2.gz STGAQYSTMGHAHH-UHFFFAOYSA-N 1 2 288.347 3.148 20 30 CGEDLO C[NH+](C)c1ccc(NCc2cccc(C#N)c2)cc1 ZINC000058946941 619545351 /nfs/dbraw/zinc/54/53/51/619545351.db2.gz ONNXTGREJRUIJT-UHFFFAOYSA-N 1 2 251.333 3.236 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCC(F)F ZINC000894468857 619547182 /nfs/dbraw/zinc/54/71/82/619547182.db2.gz FYLWMUPSMKNMIR-GFCCVEGCSA-N 1 2 268.307 3.112 20 30 CGEDLO Cc1cc(CNc2cccc(CC#N)n2)c2c([nH+]1)CCCC2 ZINC000896023636 619932447 /nfs/dbraw/zinc/93/24/47/619932447.db2.gz NNUDYZRNZIQLJX-UHFFFAOYSA-N 1 2 292.386 3.342 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000883399328 619995214 /nfs/dbraw/zinc/99/52/14/619995214.db2.gz JPKOLXFYZSTEME-WDEREUQCSA-N 1 2 253.292 3.003 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896503599 620018142 /nfs/dbraw/zinc/01/81/42/620018142.db2.gz LRIANKXQYBXVPH-JEMSNHSXSA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C#N)C1 ZINC000896503599 620018146 /nfs/dbraw/zinc/01/81/46/620018146.db2.gz LRIANKXQYBXVPH-JEMSNHSXSA-N 1 2 285.347 3.234 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCCC2CCOCC2)c1 ZINC000840706870 620085850 /nfs/dbraw/zinc/08/58/50/620085850.db2.gz MIGFZFMLQSRLKW-ATVHPVEESA-N 1 2 277.364 3.027 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CCO[C@@H](C(C)C)C2)c1O ZINC000840709811 620106739 /nfs/dbraw/zinc/10/67/39/620106739.db2.gz ODLRXRRQRMTYMB-SIUHFWHKSA-N 1 2 291.391 3.271 20 30 CGEDLO Cc1occc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897595914 620406173 /nfs/dbraw/zinc/40/61/73/620406173.db2.gz JBDQBJSKWMQLFQ-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1occc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897595914 620406176 /nfs/dbraw/zinc/40/61/76/620406176.db2.gz JBDQBJSKWMQLFQ-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C(C)C)C2 ZINC000901480994 620892271 /nfs/dbraw/zinc/89/22/71/620892271.db2.gz QLFRRLQQKXHIOO-QPEQYQDCSA-N 1 2 282.343 3.295 20 30 CGEDLO Cc1[nH]c(/C=C2\CCc3cc(F)ccc3C2=O)[nH+]c1C ZINC000901480805 620892396 /nfs/dbraw/zinc/89/23/96/620892396.db2.gz PJIDUILOPMZUIW-XYOKQWHBSA-N 1 2 270.307 3.378 20 30 CGEDLO Cn1c[nH+]cc1/C=C1/C(=O)c2cccc3c2[C@@H]1CCC3 ZINC000901489569 620898963 /nfs/dbraw/zinc/89/89/63/620898963.db2.gz LYUHDHZHFXQCGC-MGMWDDNKSA-N 1 2 264.328 3.120 20 30 CGEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C/c1c[nH+]cn1C ZINC000901499612 620902795 /nfs/dbraw/zinc/90/27/95/620902795.db2.gz NBQMOARYGMQUAS-AHQMPEJBSA-N 1 2 266.344 3.440 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc2c(s1)CCC2 ZINC000901485799 620910333 /nfs/dbraw/zinc/91/03/33/620910333.db2.gz PFRWTOACWCSZGG-VOTSOKGWSA-N 1 2 272.373 3.349 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2ccc(C)cc2C1=O ZINC000901486648 620911481 /nfs/dbraw/zinc/91/14/81/620911481.db2.gz OMHPKEPHPWTWIG-ZROIWOOFSA-N 1 2 266.344 3.424 20 30 CGEDLO N#CCCCOc1ccc[nH+]c1NCc1csc(C#N)c1 ZINC000902067918 621135793 /nfs/dbraw/zinc/13/57/93/621135793.db2.gz QNMZDMDODMHNLR-UHFFFAOYSA-N 1 2 298.371 3.309 20 30 CGEDLO CC(C)c1csc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902845011 621471987 /nfs/dbraw/zinc/47/19/87/621471987.db2.gz PZIKQFVQZQKAFD-NSHDSACASA-N 1 2 286.404 3.384 20 30 CGEDLO Cc1csc(C2([NH2+][C@@H](C)c3cc(C#N)ccn3)CCC2)n1 ZINC000902908934 621494873 /nfs/dbraw/zinc/49/48/73/621494873.db2.gz WZEFTLUHRLHLLT-LBPRGKRZSA-N 1 2 298.415 3.448 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CCC1 ZINC000903033452 621535862 /nfs/dbraw/zinc/53/58/62/621535862.db2.gz UPNINUWMUONBFW-NSHDSACASA-N 1 2 261.756 3.006 20 30 CGEDLO CC[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cccc(C#N)c1 ZINC000903089704 621566570 /nfs/dbraw/zinc/56/65/70/621566570.db2.gz VKHUYYVFZMUXAZ-MRXNPFEDSA-N 1 2 292.386 3.468 20 30 CGEDLO CCOc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1C#N ZINC000904850266 622008217 /nfs/dbraw/zinc/00/82/17/622008217.db2.gz UKHJREFWBBJUAD-UHFFFAOYSA-N 1 2 267.332 3.085 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)OC ZINC000905764969 622108405 /nfs/dbraw/zinc/10/84/05/622108405.db2.gz WISIBKCEAMHPKF-KBMXLJTQSA-N 1 2 291.366 3.169 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc[nH]c1=S ZINC000173304292 623318732 /nfs/dbraw/zinc/31/87/32/623318732.db2.gz GTJYQVBWLPBKCH-UHFFFAOYSA-N 1 2 259.378 3.191 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc[nH]c1=S ZINC000173304292 623318735 /nfs/dbraw/zinc/31/87/35/623318735.db2.gz GTJYQVBWLPBKCH-UHFFFAOYSA-N 1 2 259.378 3.191 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000755988656 625669366 /nfs/dbraw/zinc/66/93/66/625669366.db2.gz AYBCNNYDZJVHIM-XJKSGUPXSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C(C)[C@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000755988656 625669370 /nfs/dbraw/zinc/66/93/70/625669370.db2.gz AYBCNNYDZJVHIM-XJKSGUPXSA-N 1 2 291.366 3.298 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2(CCOC)CCC2)c1O ZINC000155035927 624414487 /nfs/dbraw/zinc/41/44/87/624414487.db2.gz HTRHBQWSUCCMKH-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO C[C@@H]1CCC[C@@H](C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000920174035 624454269 /nfs/dbraw/zinc/45/42/69/624454269.db2.gz JALFZZPDEHKPOB-OOIWVLDFSA-N 1 2 263.337 3.049 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000930127095 624480378 /nfs/dbraw/zinc/48/03/78/624480378.db2.gz GIMUNPRJQJRAPH-UHFFFAOYSA-N 1 2 282.721 3.443 20 30 CGEDLO COc1cccc(/C=[NH+]\CCCc2ccccc2)c1O ZINC000920943523 624555740 /nfs/dbraw/zinc/55/57/40/624555740.db2.gz ZRWMUYBPWJCVOX-AQTBWJFISA-N 1 2 269.344 3.453 20 30 CGEDLO C=C[C@@H](CC)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835274164 634424505 /nfs/dbraw/zinc/42/45/05/634424505.db2.gz LTAPKJLQTYKBFD-HNNXBMFYSA-N 1 2 270.332 3.053 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC001000380514 625868864 /nfs/dbraw/zinc/86/88/64/625868864.db2.gz DWXXSHBEIZJHGE-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC001000380514 625868865 /nfs/dbraw/zinc/86/88/65/625868865.db2.gz DWXXSHBEIZJHGE-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=CC(C)(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000835345412 634461165 /nfs/dbraw/zinc/46/11/65/634461165.db2.gz FMQSJPFHGZAZOS-UHFFFAOYSA-N 1 2 284.359 3.436 20 30 CGEDLO CC(C)(C)C#CCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835389804 634478957 /nfs/dbraw/zinc/47/89/57/634478957.db2.gz FAMCUUPQGLJULY-UHFFFAOYSA-N 1 2 296.370 3.138 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2(CC)CCOCC2)c(O)c1 ZINC000745977504 626363374 /nfs/dbraw/zinc/36/33/74/626363374.db2.gz WWVRDLHVPPBNHJ-PDGQHHTCSA-N 1 2 291.391 3.417 20 30 CGEDLO CC(C)CSCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000752762844 626438377 /nfs/dbraw/zinc/43/83/77/626438377.db2.gz XXBJIVGIJNEUFZ-UHFFFAOYSA-N 1 2 284.400 3.242 20 30 CGEDLO Cc1ccc2[nH+]cc(CN=Nc3ncccc3Cl)n2c1 ZINC000755653892 626634216 /nfs/dbraw/zinc/63/42/16/626634216.db2.gz DOWVLEJMACRMBI-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO COc1cc(Cl)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000761207128 627025358 /nfs/dbraw/zinc/02/53/58/627025358.db2.gz YFSXWXKROIKRBK-SNVBAGLBSA-N 1 2 294.782 3.178 20 30 CGEDLO COc1cc(Cl)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000761207128 627025361 /nfs/dbraw/zinc/02/53/61/627025361.db2.gz YFSXWXKROIKRBK-SNVBAGLBSA-N 1 2 294.782 3.178 20 30 CGEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000763172483 627143703 /nfs/dbraw/zinc/14/37/03/627143703.db2.gz NJXUCVBACQMNDA-UHFFFAOYSA-N 1 2 283.356 3.173 20 30 CGEDLO C=CC[N@H+](Cc1c(Cl)nc(Cl)n1C)C(C)C ZINC000768547848 627486225 /nfs/dbraw/zinc/48/62/25/627486225.db2.gz SBRYKOMGIUBKLU-UHFFFAOYSA-N 1 2 262.184 3.123 20 30 CGEDLO C=CC[N@@H+](Cc1c(Cl)nc(Cl)n1C)C(C)C ZINC000768547848 627486227 /nfs/dbraw/zinc/48/62/27/627486227.db2.gz SBRYKOMGIUBKLU-UHFFFAOYSA-N 1 2 262.184 3.123 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000774273231 627971188 /nfs/dbraw/zinc/97/11/88/627971188.db2.gz QRXOZFFZQGZHLE-GDBMZVCRSA-N 1 2 285.391 3.017 20 30 CGEDLO C=CC[N@@H+](CC[C@H](C)c1ccccc1)CC(=O)OCC ZINC000774837867 628036813 /nfs/dbraw/zinc/03/68/13/628036813.db2.gz FMQQZVHUZHKXCK-HNNXBMFYSA-N 1 2 275.392 3.231 20 30 CGEDLO C=CC[N@H+](CC[C@H](C)c1ccccc1)CC(=O)OCC ZINC000774837867 628036819 /nfs/dbraw/zinc/03/68/19/628036819.db2.gz FMQQZVHUZHKXCK-HNNXBMFYSA-N 1 2 275.392 3.231 20 30 CGEDLO N#CC1(C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000775982165 628155947 /nfs/dbraw/zinc/15/59/47/628155947.db2.gz TUCHCBPYLHKZNZ-UHFFFAOYSA-N 1 2 282.343 3.291 20 30 CGEDLO N#CC1(C[N@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000775982165 628155950 /nfs/dbraw/zinc/15/59/50/628155950.db2.gz TUCHCBPYLHKZNZ-UHFFFAOYSA-N 1 2 282.343 3.291 20 30 CGEDLO C[C@@H]([NH2+]Cc1cscn1)c1ccc(C#N)c(F)c1 ZINC000776735372 628228941 /nfs/dbraw/zinc/22/89/41/628228941.db2.gz QNIHXFOMJFVJQY-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO Cc1cc(C)c(C#N)c(SCc2cc[nH+]c(N(C)C)c2)n1 ZINC000782111700 628616487 /nfs/dbraw/zinc/61/64/87/628616487.db2.gz SHOKVWVXHUGHDV-UHFFFAOYSA-N 1 2 298.415 3.323 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC[C@H]1CCOC1 ZINC000783686373 628739470 /nfs/dbraw/zinc/73/94/70/628739470.db2.gz ZSIRIAWAQGDPQB-FHNWIRHTSA-N 1 2 269.344 3.391 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000790187563 629191381 /nfs/dbraw/zinc/19/13/81/629191381.db2.gz XJLTUBRWEWFRQH-UHFFFAOYSA-N 1 2 280.375 3.218 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(F)c(F)c1N(C)C ZINC000862212814 629323738 /nfs/dbraw/zinc/32/37/38/629323738.db2.gz MDRWSQMFIUJYOH-UHFFFAOYSA-N 1 2 295.377 3.402 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)c(F)c1N(C)C ZINC000862212814 629323746 /nfs/dbraw/zinc/32/37/46/629323746.db2.gz MDRWSQMFIUJYOH-UHFFFAOYSA-N 1 2 295.377 3.402 20 30 CGEDLO C=CC[C@@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccccc1 ZINC000792158053 629341738 /nfs/dbraw/zinc/34/17/38/629341738.db2.gz MLTYBCKFIFETGQ-OAHLLOKOSA-N 1 2 282.343 3.067 20 30 CGEDLO C=CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000792175254 629344483 /nfs/dbraw/zinc/34/44/83/629344483.db2.gz PRUFGSWALGOFOA-UHFFFAOYSA-N 1 2 255.720 3.335 20 30 CGEDLO C=CC[N@H+](Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000792175254 629344486 /nfs/dbraw/zinc/34/44/86/629344486.db2.gz PRUFGSWALGOFOA-UHFFFAOYSA-N 1 2 255.720 3.335 20 30 CGEDLO Cc1cc(C)cc(CC/[NH+]=C/c2ccc(O)c(O)c2O)c1 ZINC000119100176 629438560 /nfs/dbraw/zinc/43/85/60/629438560.db2.gz NNQWOGNMAQJOEI-VCHYOVAHSA-N 1 2 285.343 3.082 20 30 CGEDLO C[C@H](O[NH+]=C(N)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000794715840 629570926 /nfs/dbraw/zinc/57/09/26/629570926.db2.gz OEGAJAIRPINUPB-NSHDSACASA-N 1 2 283.306 3.095 20 30 CGEDLO CO[C@H]1C[C@@H](C/[NH+]=C\c2c(O)ccc3ccccc32)C1 ZINC000864346649 629815279 /nfs/dbraw/zinc/81/52/79/629815279.db2.gz YUXYUMAPQXTJKB-NTTJPONHSA-N 1 2 269.344 3.389 20 30 CGEDLO c1ccc2c(NN=C3CCCc4cccnc43)cc[nH+]c2c1 ZINC000799112528 630143970 /nfs/dbraw/zinc/14/39/70/630143970.db2.gz SUWVCTYIIDFOFT-UHFFFAOYSA-N 1 2 288.354 3.204 20 30 CGEDLO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806149974 630549758 /nfs/dbraw/zinc/54/97/58/630549758.db2.gz JEMCJRFNDBRYPT-FZMZJTMJSA-N 1 2 283.799 3.271 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](CC)c1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000806157615 630550834 /nfs/dbraw/zinc/55/08/34/630550834.db2.gz AHDQXNOSKGEJBD-SOUVJXGZSA-N 1 2 293.794 3.267 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCSC2)c1 ZINC000806551120 630565613 /nfs/dbraw/zinc/56/56/13/630565613.db2.gz IQPNPDNPAPVAMO-SEJMYLSOSA-N 1 2 279.405 3.353 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000808432224 630644746 /nfs/dbraw/zinc/64/47/46/630644746.db2.gz YBONDYNISHLJLY-RISCZKNCSA-N 1 2 280.318 3.255 20 30 CGEDLO COc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1C#N ZINC000808450916 630646346 /nfs/dbraw/zinc/64/63/46/630646346.db2.gz DZCXAZUQGOIUHO-UHFFFAOYSA-N 1 2 280.318 3.234 20 30 CGEDLO CCCCCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808776771 630677475 /nfs/dbraw/zinc/67/74/75/630677475.db2.gz YVKNKFFFLAAEGB-CQSZACIVSA-N 1 2 294.443 3.440 20 30 CGEDLO CCCCCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808776771 630677478 /nfs/dbraw/zinc/67/74/78/630677478.db2.gz YVKNKFFFLAAEGB-CQSZACIVSA-N 1 2 294.443 3.440 20 30 CGEDLO CC(=[NH+]OC/C=C/Cl)c1ccc(F)cc1N(C)C ZINC000811668673 631106687 /nfs/dbraw/zinc/10/66/87/631106687.db2.gz RLCMGNYLNIXTKL-JEVKGGJXSA-N 1 2 270.735 3.385 20 30 CGEDLO CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(N)[nH+]c1 ZINC000814740580 631632629 /nfs/dbraw/zinc/63/26/29/631632629.db2.gz QDJRBUPYKJHTRH-UHFFFAOYSA-N 1 2 296.161 3.202 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1C#N ZINC000814841892 631653965 /nfs/dbraw/zinc/65/39/65/631653965.db2.gz YLSWVAAWHGFTPW-UHFFFAOYSA-N 1 2 286.338 3.364 20 30 CGEDLO FC(F)(F)CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814880515 631663135 /nfs/dbraw/zinc/66/31/35/631663135.db2.gz HINHQIBZNVBFIX-MRVPVSSYSA-N 1 2 270.254 3.273 20 30 CGEDLO CC1(C)CC(=[NH+]OC/C=C\Cl)c2cc(N)ccc2O1 ZINC000814934806 631689509 /nfs/dbraw/zinc/68/95/09/631689509.db2.gz ZKXJFMNRSFXYQN-ZKBZMWLKSA-N 1 2 280.755 3.303 20 30 CGEDLO CCCOc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821030796 632714236 /nfs/dbraw/zinc/71/42/36/632714236.db2.gz CFCZTNOUFMRPSJ-OQFOIZHKSA-N 1 2 282.343 3.349 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn(C)c1Cl ZINC000822526378 632961963 /nfs/dbraw/zinc/96/19/63/632961963.db2.gz TWLALDZGIKJEOU-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1Cl ZINC000822526378 632961990 /nfs/dbraw/zinc/96/19/90/632961990.db2.gz TWLALDZGIKJEOU-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000866193674 633024115 /nfs/dbraw/zinc/02/41/15/633024115.db2.gz DVXJRZUKWTYQGC-HNNXBMFYSA-N 1 2 298.777 3.205 20 30 CGEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000866193674 633024117 /nfs/dbraw/zinc/02/41/17/633024117.db2.gz DVXJRZUKWTYQGC-HNNXBMFYSA-N 1 2 298.777 3.205 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(C#N)c1O ZINC000866218409 633033157 /nfs/dbraw/zinc/03/31/57/633033157.db2.gz OIHRDPDBYPWKLQ-CYBMUJFWSA-N 1 2 295.386 3.181 20 30 CGEDLO C[C@@H]([NH2+]CCCC(F)(F)F)c1cccc(C#N)c1O ZINC000866275839 633059439 /nfs/dbraw/zinc/05/94/39/633059439.db2.gz IFVNIUFKYZMXKL-SECBINFHSA-N 1 2 272.270 3.257 20 30 CGEDLO Cc1cscc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866350293 633093221 /nfs/dbraw/zinc/09/32/21/633093221.db2.gz YRZJFTIEWQIEDN-LLVKDONJSA-N 1 2 272.373 3.485 20 30 CGEDLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866362588 633101541 /nfs/dbraw/zinc/10/15/41/633101541.db2.gz BYVFZJZIDDFNRF-NSHDSACASA-N 1 2 299.374 3.364 20 30 CGEDLO CCCc1ncc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866371158 633108141 /nfs/dbraw/zinc/10/81/41/633108141.db2.gz HLPSOJVBWUJPHP-NSHDSACASA-N 1 2 285.347 3.055 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc(C#N)c1O ZINC000866376616 633111601 /nfs/dbraw/zinc/11/16/01/633111601.db2.gz XRHCVDUVZADBOY-GFCCVEGCSA-N 1 2 288.391 3.120 20 30 CGEDLO C=C(Cl)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000824099168 633194690 /nfs/dbraw/zinc/19/46/90/633194690.db2.gz QXBYJARKHAJYRE-VIFPVBQESA-N 1 2 261.674 3.433 20 30 CGEDLO C#CCCOc1ccc(C[NH2+][C@@H](CC)C(F)F)cc1 ZINC000824509912 633251762 /nfs/dbraw/zinc/25/17/62/633251762.db2.gz QAFOCBSFPVYGAV-AWEZNQCLSA-N 1 2 267.319 3.222 20 30 CGEDLO C#Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1 ZINC000827786256 633517143 /nfs/dbraw/zinc/51/71/43/633517143.db2.gz HSPPSLSSRSVMAV-IUODEOHRSA-N 1 2 297.320 3.210 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1 ZINC000827786256 633517147 /nfs/dbraw/zinc/51/71/47/633517147.db2.gz HSPPSLSSRSVMAV-IUODEOHRSA-N 1 2 297.320 3.210 20 30 CGEDLO O=C1OCC[C@@H]1CCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000871596943 633799398 /nfs/dbraw/zinc/79/93/98/633799398.db2.gz HSHSKAWPHDSLMH-YQNUULROSA-N 1 2 297.354 3.308 20 30 CGEDLO C=CC(C)(C)CCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000872100821 634022371 /nfs/dbraw/zinc/02/23/71/634022371.db2.gz KFBBSUPZFZVPAM-HNNXBMFYSA-N 1 2 284.407 3.476 20 30 CGEDLO CSc1nnc(SC)n1[NH+]=C[C@H](C)c1ccccc1 ZINC000872417026 634139693 /nfs/dbraw/zinc/13/96/93/634139693.db2.gz HOHOKSREVMUILT-JTQLQIEISA-N 1 2 292.433 3.360 20 30 CGEDLO C#CCCCCCC[NH2+]c1ccc(N(C)CCO)cc1 ZINC000876854723 634915244 /nfs/dbraw/zinc/91/52/44/634915244.db2.gz WORSBNZLJSPHSI-UHFFFAOYSA-N 1 2 274.408 3.111 20 30 CGEDLO C=CC(C)(C)CCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000877303411 635021064 /nfs/dbraw/zinc/02/10/64/635021064.db2.gz GDGLSHJSXNDHMW-CQSZACIVSA-N 1 2 296.361 3.073 20 30 CGEDLO CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H](C)C#N ZINC000840909865 635080286 /nfs/dbraw/zinc/08/02/86/635080286.db2.gz AJHDGHHEFJUGDU-NSHDSACASA-N 1 2 266.772 3.336 20 30 CGEDLO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@@H](C)C#N ZINC000840909865 635080287 /nfs/dbraw/zinc/08/02/87/635080287.db2.gz AJHDGHHEFJUGDU-NSHDSACASA-N 1 2 266.772 3.336 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(-c2ccccc2Cl)on1 ZINC000842152104 635296705 /nfs/dbraw/zinc/29/67/05/635296705.db2.gz GKAWCPHMMPVZPN-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(-c2ccccc2Cl)on1 ZINC000842152104 635296714 /nfs/dbraw/zinc/29/67/14/635296714.db2.gz GKAWCPHMMPVZPN-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C=CC(C)(C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000878084617 635349319 /nfs/dbraw/zinc/34/93/19/635349319.db2.gz VOBVNXVZMMUSFY-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878159016 635385525 /nfs/dbraw/zinc/38/55/25/635385525.db2.gz AZVFPKNSFSFDLB-ZDUSSCGKSA-N 1 2 287.190 3.262 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878159016 635385530 /nfs/dbraw/zinc/38/55/30/635385530.db2.gz AZVFPKNSFSFDLB-ZDUSSCGKSA-N 1 2 287.190 3.262 20 30 CGEDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(CC#N)CC1 ZINC000878206812 635415224 /nfs/dbraw/zinc/41/52/24/635415224.db2.gz BTCQJUAYLNVQJB-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(CC#N)CC1 ZINC000878206812 635415233 /nfs/dbraw/zinc/41/52/33/635415233.db2.gz BTCQJUAYLNVQJB-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc2ccccc2c1 ZINC000878819168 635635793 /nfs/dbraw/zinc/63/57/93/635635793.db2.gz ZMCRYUWDFCDCTI-QWHCGFSZSA-N 1 2 281.359 3.059 20 30 CGEDLO CO[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328248 635760257 /nfs/dbraw/zinc/76/02/57/635760257.db2.gz ZEFBYWXUXWVFGP-NHYWBVRUSA-N 1 2 278.783 3.211 20 30 CGEDLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328248 635760267 /nfs/dbraw/zinc/76/02/67/635760267.db2.gz ZEFBYWXUXWVFGP-NHYWBVRUSA-N 1 2 278.783 3.211 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844142236 635826691 /nfs/dbraw/zinc/82/66/91/635826691.db2.gz CNHRKVJPASZQNE-HNNXBMFYSA-N 1 2 289.423 3.088 20 30 CGEDLO C=C[C@@H](C)ON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000844622025 635944925 /nfs/dbraw/zinc/94/49/25/635944925.db2.gz SIADRUXERUJNSE-CQSZACIVSA-N 1 2 287.407 3.300 20 30 CGEDLO C#CC[C@@H](Cc1ccccc1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845559759 636048336 /nfs/dbraw/zinc/04/83/36/636048336.db2.gz ZTRMPMKNDGTDNA-RDJZCZTQSA-N 1 2 296.370 3.012 20 30 CGEDLO C=C(C)CC[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845863917 636110382 /nfs/dbraw/zinc/11/03/82/636110382.db2.gz HVJLCGMPZFGPAN-ZDUSSCGKSA-N 1 2 276.380 3.050 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000846009687 636129142 /nfs/dbraw/zinc/12/91/42/636129142.db2.gz BFIJJIQUKHZQKV-UHFFFAOYSA-N 1 2 282.746 3.358 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)CC1(Br)CC1 ZINC000846807697 636246923 /nfs/dbraw/zinc/24/69/23/636246923.db2.gz UNMXMZQYUJOCPZ-UHFFFAOYSA-N 1 2 273.218 3.176 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)CC1(Br)CC1 ZINC000846807697 636246926 /nfs/dbraw/zinc/24/69/26/636246926.db2.gz UNMXMZQYUJOCPZ-UHFFFAOYSA-N 1 2 273.218 3.176 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000847020849 636312229 /nfs/dbraw/zinc/31/22/29/636312229.db2.gz FCVAMVXVJFLDKO-LBPRGKRZSA-N 1 2 258.752 3.057 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000847020849 636312232 /nfs/dbraw/zinc/31/22/32/636312232.db2.gz FCVAMVXVJFLDKO-LBPRGKRZSA-N 1 2 258.752 3.057 20 30 CGEDLO c1cn(CCCNN=C2CC[C@H](Cc3ccccc3)C2)c[nH+]1 ZINC000848416449 636571257 /nfs/dbraw/zinc/57/12/57/636571257.db2.gz LMVZBJQWRXZRCM-QGZVFWFLSA-N 1 2 296.418 3.262 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1c(F)cccc1Cl ZINC000848417322 636571443 /nfs/dbraw/zinc/57/14/43/636571443.db2.gz UPGARYHLUJSAHN-UHFFFAOYSA-N 1 2 294.761 3.080 20 30 CGEDLO CC(C)C[C@@H]1CCCC(N=NCCCn2cc[nH+]c2)C1 ZINC000848417130 636571562 /nfs/dbraw/zinc/57/15/62/636571562.db2.gz MESBZECNXGLPCF-HNNXBMFYSA-N 1 2 276.428 3.455 20 30 CGEDLO Cc1ccc([C@@H]2CCCC2=NNCCCn2cc[nH+]c2)cc1 ZINC000848418444 636572615 /nfs/dbraw/zinc/57/26/15/636572615.db2.gz NDEOGWJGNWFTIS-KRWDZBQOSA-N 1 2 296.418 3.495 20 30 CGEDLO CC(C)c1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848419621 636574121 /nfs/dbraw/zinc/57/41/21/636574121.db2.gz YXOIKLDMXFNKCP-UHFFFAOYSA-N 1 2 270.380 3.020 20 30 CGEDLO NC(=[NH+]OCc1ccccc1F)c1ccc(Cl)cc1 ZINC000029465017 636899380 /nfs/dbraw/zinc/89/93/80/636899380.db2.gz ABLQBWBUWPKXGT-UHFFFAOYSA-N 1 2 278.714 3.316 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(C#N)s3)c[nH+]c12 ZINC000134499305 637024599 /nfs/dbraw/zinc/02/45/99/637024599.db2.gz WOLSVZQOLAHYSL-GQCTYLIASA-N 1 2 293.351 3.472 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(-c2ccccc2)no1 ZINC000852098338 637590249 /nfs/dbraw/zinc/59/02/49/637590249.db2.gz KURGMASLWKVCKS-MLGOLLRUSA-N 1 2 269.348 3.189 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1c(F)c(F)c(F)c(F)c1F ZINC000852098407 637591914 /nfs/dbraw/zinc/59/19/14/637591914.db2.gz MECIOQILODQMQD-ZDUSSCGKSA-N 1 2 277.236 3.274 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H](C)COC ZINC000852356434 637641725 /nfs/dbraw/zinc/64/17/25/637641725.db2.gz DWDSICDKCSNCSP-JTQLQIEISA-N 1 2 289.206 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@@H](C)COC ZINC000852356434 637641738 /nfs/dbraw/zinc/64/17/38/637641738.db2.gz DWDSICDKCSNCSP-JTQLQIEISA-N 1 2 289.206 3.411 20 30 CGEDLO CCc1ccc2c(C[N@@H+]3CC[C@@](C)(C#N)C3)cc(=O)oc2c1 ZINC000852685551 637696034 /nfs/dbraw/zinc/69/60/34/637696034.db2.gz XONQMGHFDFPKJH-SFHVURJKSA-N 1 2 296.370 3.091 20 30 CGEDLO CCc1ccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)cc(=O)oc2c1 ZINC000852685551 637696038 /nfs/dbraw/zinc/69/60/38/637696038.db2.gz XONQMGHFDFPKJH-SFHVURJKSA-N 1 2 296.370 3.091 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000853536815 637863687 /nfs/dbraw/zinc/86/36/87/637863687.db2.gz IODUBUBFFGAJFM-ZDUSSCGKSA-N 1 2 294.468 3.415 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000853536815 637863693 /nfs/dbraw/zinc/86/36/93/637863693.db2.gz IODUBUBFFGAJFM-ZDUSSCGKSA-N 1 2 294.468 3.415 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCSC1 ZINC000853554576 637866998 /nfs/dbraw/zinc/86/69/98/637866998.db2.gz MTYSWFSCGUOHDP-CYBMUJFWSA-N 1 2 276.405 3.039 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CSC1(C)C ZINC000853582985 637869882 /nfs/dbraw/zinc/86/98/82/637869882.db2.gz MZOJZMDYFRGAPN-CYBMUJFWSA-N 1 2 276.405 3.180 20 30 CGEDLO CCCCCCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857890001 638594037 /nfs/dbraw/zinc/59/40/37/638594037.db2.gz LCFSWNNFINLINN-AWEZNQCLSA-N 1 2 277.412 3.065 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857944282 638606939 /nfs/dbraw/zinc/60/69/39/638606939.db2.gz KCMQSAKSDAQQRW-CQSZACIVSA-N 1 2 277.412 3.065 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccnc(C)c1)c1cccc(C#N)c1O ZINC000926506286 638779408 /nfs/dbraw/zinc/77/94/08/638779408.db2.gz PPWCBYCRRIHACE-INIZCTEOSA-N 1 2 281.359 3.208 20 30 CGEDLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000926550063 638784069 /nfs/dbraw/zinc/78/40/69/638784069.db2.gz KARZHBRQMCPLOW-AWEZNQCLSA-N 1 2 285.322 3.161 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)c1cccc(C#N)c1O ZINC000926702308 638800785 /nfs/dbraw/zinc/80/07/85/638800785.db2.gz AYHKKKJAGSEPMT-NOLJZWGESA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1O ZINC000926869106 638819254 /nfs/dbraw/zinc/81/92/54/638819254.db2.gz PORSTOMLZIGBQK-HNNXBMFYSA-N 1 2 297.358 3.370 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000926945245 638828167 /nfs/dbraw/zinc/82/81/67/638828167.db2.gz NBTFHDOUOIRTNN-PTOFAABTSA-N 1 2 284.281 3.113 20 30 CGEDLO C[C@H]([NH2+]CCC1CC=CC1)c1cccc(C#N)c1O ZINC000926951434 638828548 /nfs/dbraw/zinc/82/85/48/638828548.db2.gz ZVYDDMJVYPAKOD-LBPRGKRZSA-N 1 2 256.349 3.271 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1Cc2ccncc2C1 ZINC000930462459 639004174 /nfs/dbraw/zinc/00/41/74/639004174.db2.gz KKKONFDPLPCZOD-UHFFFAOYSA-N 1 2 263.344 3.086 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2ccncc2C1 ZINC000930462459 639004180 /nfs/dbraw/zinc/00/41/80/639004180.db2.gz KKKONFDPLPCZOD-UHFFFAOYSA-N 1 2 263.344 3.086 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465034 639613971 /nfs/dbraw/zinc/61/39/71/639613971.db2.gz BXUMJSZAEXQJGL-CMPLNLGQSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465034 639613977 /nfs/dbraw/zinc/61/39/77/639613977.db2.gz BXUMJSZAEXQJGL-CMPLNLGQSA-N 1 2 296.773 3.457 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934511333 639622939 /nfs/dbraw/zinc/62/29/39/639622939.db2.gz SGEJZDDCCZWWNT-AWEZNQCLSA-N 1 2 281.359 3.033 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934511333 639622949 /nfs/dbraw/zinc/62/29/49/639622949.db2.gz SGEJZDDCCZWWNT-AWEZNQCLSA-N 1 2 281.359 3.033 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@@](C)(O)c2ccccc2)c1O ZINC000189355621 640189338 /nfs/dbraw/zinc/18/93/38/640189338.db2.gz XTGYHRFCQUHJAP-UIMCMNAESA-N 1 2 299.370 3.118 20 30 CGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000194627377 640545269 /nfs/dbraw/zinc/54/52/69/640545269.db2.gz OKYPPGKXMJNFHQ-CYBMUJFWSA-N 1 2 279.343 3.151 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247007017 640706214 /nfs/dbraw/zinc/70/62/14/640706214.db2.gz RJPUZXJCROWAKC-RYUDHWBXSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000247007017 640706222 /nfs/dbraw/zinc/70/62/22/640706222.db2.gz RJPUZXJCROWAKC-RYUDHWBXSA-N 1 2 292.452 3.165 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3ccc(F)c(C#N)c3)[nH+]c2c1 ZINC001250505653 805661319 /nfs/dbraw/zinc/66/13/19/805661319.db2.gz DZIHXRNCVWYODP-UHFFFAOYSA-N 1 2 280.306 3.307 20 30 CGEDLO N#Cc1ccc(CCc2[nH]c3cc(F)c(F)cc3[nH+]2)cc1 ZINC001250581546 805705801 /nfs/dbraw/zinc/70/58/01/805705801.db2.gz DZHLZMJNKIXHSS-UHFFFAOYSA-N 1 2 283.281 3.498 20 30 CGEDLO COc1ccc2c(c1)[nH+]c(CCc1ccc(C#N)cc1)n2C ZINC001250582217 805707081 /nfs/dbraw/zinc/70/70/81/805707081.db2.gz WPGKCTVNLHKTSH-UHFFFAOYSA-N 1 2 291.354 3.239 20 30 CGEDLO COc1cc2[nH]c(Cc3ccc(C#N)cc3)[nH+]c2cc1OC ZINC001250588100 805711288 /nfs/dbraw/zinc/71/12/88/805711288.db2.gz YTBDJUGTFDSLMW-UHFFFAOYSA-N 1 2 293.326 3.043 20 30 CGEDLO C[C@@H](CNc1cc(CC#N)cc[nH+]1)c1ccc(O)cc1 ZINC001158608350 805974665 /nfs/dbraw/zinc/97/46/65/805974665.db2.gz ZXLJTSVICXPOCG-LBPRGKRZSA-N 1 2 267.332 3.069 20 30 CGEDLO C=C[C@@](C)(O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC001252543085 806059265 /nfs/dbraw/zinc/05/92/65/806059265.db2.gz NNCGSMILJLPDFO-CQSZACIVSA-N 1 2 262.740 3.237 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001253230422 806185675 /nfs/dbraw/zinc/18/56/75/806185675.db2.gz ZNXKWUKVNBCPES-INIZCTEOSA-N 1 2 291.439 3.447 20 30 CGEDLO CCCC[N@H+](CCC#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253355889 806208658 /nfs/dbraw/zinc/20/86/58/806208658.db2.gz FTXSPTNVQSCJIF-HNNXBMFYSA-N 1 2 282.334 3.014 20 30 CGEDLO CCCC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253355889 806208663 /nfs/dbraw/zinc/20/86/63/806208663.db2.gz FTXSPTNVQSCJIF-HNNXBMFYSA-N 1 2 282.334 3.014 20 30 CGEDLO Cc1cccn2c([C@H](C)Nc3nccc(C)c3C#N)c[nH+]c12 ZINC001160683783 806296493 /nfs/dbraw/zinc/29/64/93/806296493.db2.gz TXSSRHLDSKTGCV-ZDUSSCGKSA-N 1 2 291.358 3.391 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OC1CCOCC1 ZINC001255159576 806558297 /nfs/dbraw/zinc/55/82/97/806558297.db2.gz YGNQOAFPYPSGAN-OAHLLOKOSA-N 1 2 288.391 3.026 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1COc2cc(Br)ccc21 ZINC001255159724 806558783 /nfs/dbraw/zinc/55/87/83/806558783.db2.gz ANDJWUOOCJEHNH-ZYHUDNBSSA-N 1 2 295.180 3.164 20 30 CGEDLO COc1cccc(/C=[NH+]/CCc2ccc(N(C)C)cc2)c1O ZINC000131203392 799028368 /nfs/dbraw/zinc/02/83/68/799028368.db2.gz ROXLRLNAJKFIEK-CPNJWEJPSA-N 1 2 298.386 3.128 20 30 CGEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)o1 ZINC000176680496 799103333 /nfs/dbraw/zinc/10/33/33/799103333.db2.gz KQVRVGOXCXIFDF-SOFGYWHQSA-N 1 2 266.300 3.386 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OC/C=C\c1ccccc1 ZINC000209683113 799133335 /nfs/dbraw/zinc/13/33/35/799133335.db2.gz LECOUIQVLDDTMS-GHXNOFRVSA-N 1 2 266.344 3.231 20 30 CGEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cnn1C(C)C ZINC000588559628 799711079 /nfs/dbraw/zinc/71/10/79/799711079.db2.gz HNCZDTIOKJGVCH-FPLPWBNLSA-N 1 2 294.358 3.316 20 30 CGEDLO C[C@@H]1CCC[C@H](C)N1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163546830 806781720 /nfs/dbraw/zinc/78/17/20/806781720.db2.gz SMDANKXXOFKWAH-PHIMTYICSA-N 1 2 254.337 3.202 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1cccc(C#N)c1O ZINC000822658634 800463867 /nfs/dbraw/zinc/46/38/67/800463867.db2.gz FWGLPROXVSBOCD-WFASDCNBSA-N 1 2 298.390 3.282 20 30 CGEDLO C=CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906647181 800600082 /nfs/dbraw/zinc/60/00/82/800600082.db2.gz OXKVHHSZQQYIHG-UHFFFAOYSA-N 1 2 258.365 3.045 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001028201887 800836406 /nfs/dbraw/zinc/83/64/06/800836406.db2.gz OCCWUJJSJSGVSZ-ZDUSSCGKSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001028201887 800836413 /nfs/dbraw/zinc/83/64/13/800836413.db2.gz OCCWUJJSJSGVSZ-ZDUSSCGKSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032992501 800949413 /nfs/dbraw/zinc/94/94/13/800949413.db2.gz LRWZCHODWBJFPS-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032992501 800949416 /nfs/dbraw/zinc/94/94/16/800949416.db2.gz LRWZCHODWBJFPS-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339587 800960542 /nfs/dbraw/zinc/96/05/42/800960542.db2.gz XPFNYPZKCCRONQ-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339587 800960546 /nfs/dbraw/zinc/96/05/46/800960546.db2.gz XPFNYPZKCCRONQ-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389488 800962673 /nfs/dbraw/zinc/96/26/73/800962673.db2.gz PFDDVEHALJDMPO-HNNXBMFYSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389488 800962677 /nfs/dbraw/zinc/96/26/77/800962677.db2.gz PFDDVEHALJDMPO-HNNXBMFYSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035651501 801058600 /nfs/dbraw/zinc/05/86/00/801058600.db2.gz FMCIDPVEJVHGPK-UHFFFAOYSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2sccc2C)C1 ZINC001046105033 801299711 /nfs/dbraw/zinc/29/97/11/801299711.db2.gz XTILQFXTEUGTEL-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2sccc2C)C1 ZINC001046105033 801299717 /nfs/dbraw/zinc/29/97/17/801299717.db2.gz XTILQFXTEUGTEL-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609158 801318256 /nfs/dbraw/zinc/31/82/56/801318256.db2.gz SSDYFWMCWQZAAJ-CZUORRHYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046609158 801318266 /nfs/dbraw/zinc/31/82/66/801318266.db2.gz SSDYFWMCWQZAAJ-CZUORRHYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071317698 801527679 /nfs/dbraw/zinc/52/76/79/801527679.db2.gz XINOXUNBCNKPMO-ZFWWWQNUSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071317698 801527682 /nfs/dbraw/zinc/52/76/82/801527682.db2.gz XINOXUNBCNKPMO-ZFWWWQNUSA-N 1 2 292.810 3.022 20 30 CGEDLO CCCCCCCC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001164341252 806936474 /nfs/dbraw/zinc/93/64/74/806936474.db2.gz CZGNWGYJLCGLEJ-CQSZACIVSA-N 1 2 265.401 3.308 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)C)C2 ZINC001109748426 802123070 /nfs/dbraw/zinc/12/30/70/802123070.db2.gz WCNSBXIOUTWEFX-ILXRZTDVSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)C)C2 ZINC001109748426 802123074 /nfs/dbraw/zinc/12/30/74/802123074.db2.gz WCNSBXIOUTWEFX-ILXRZTDVSA-N 1 2 298.858 3.287 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110598890 802147086 /nfs/dbraw/zinc/14/70/86/802147086.db2.gz QYAGMOFDLVATOQ-MCIONIFRSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110598890 802147089 /nfs/dbraw/zinc/14/70/89/802147089.db2.gz QYAGMOFDLVATOQ-MCIONIFRSA-N 1 2 296.842 3.063 20 30 CGEDLO CC#CC[NH+]1CCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC001113528779 802229559 /nfs/dbraw/zinc/22/95/59/802229559.db2.gz QMSFXJFEXMETRH-KRWDZBQOSA-N 1 2 292.467 3.151 20 30 CGEDLO C=CC[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(=O)OCC ZINC001116775232 802409014 /nfs/dbraw/zinc/40/90/14/802409014.db2.gz MKZULZAHTTVNOY-BCLQGDPASA-N 1 2 291.366 3.169 20 30 CGEDLO Cc1nnn([NH+]=C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC001119298193 802644761 /nfs/dbraw/zinc/64/47/61/802644761.db2.gz ABHYFZALSATNJH-MNOVXSKESA-N 1 2 274.290 3.098 20 30 CGEDLO COc1ccc(-c2cn3cc[nH+]c3cc2C)c(C#N)c1 ZINC001243731777 802971706 /nfs/dbraw/zinc/97/17/06/802971706.db2.gz KDPCKWAFQXRDRO-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1cc(O)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001243985266 803121589 /nfs/dbraw/zinc/12/15/89/803121589.db2.gz ZLGSAULURBUJKZ-YBFXNURJSA-N 1 2 295.342 3.161 20 30 CGEDLO N#Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(Cl)c1 ZINC001244331442 803309023 /nfs/dbraw/zinc/30/90/23/803309023.db2.gz OLINOSRRQDGLKN-UHFFFAOYSA-N 1 2 269.735 3.274 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131824856 803348258 /nfs/dbraw/zinc/34/82/58/803348258.db2.gz DPJSTRBNHCDNGT-KGLIPLIRSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131824856 803348265 /nfs/dbraw/zinc/34/82/65/803348265.db2.gz DPJSTRBNHCDNGT-KGLIPLIRSA-N 1 2 286.847 3.288 20 30 CGEDLO CCCNc1cc(C)[nH+]c(-c2ccc(C)c(C#N)c2)n1 ZINC001244470521 803387619 /nfs/dbraw/zinc/38/76/19/803387619.db2.gz PNCADDJEDFTQIZ-UHFFFAOYSA-N 1 2 266.348 3.454 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(CO)c1 ZINC001244490598 803399626 /nfs/dbraw/zinc/39/96/26/803399626.db2.gz PJWCLFMLLMKWPO-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1[nH]nc2c1cccc2C ZINC001137146605 803688560 /nfs/dbraw/zinc/68/85/60/803688560.db2.gz QKZSZVUMUGYYQA-UHFFFAOYSA-N 1 2 270.380 3.387 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1[nH]nc2c1cccc2C ZINC001137146605 803688562 /nfs/dbraw/zinc/68/85/62/803688562.db2.gz QKZSZVUMUGYYQA-UHFFFAOYSA-N 1 2 270.380 3.387 20 30 CGEDLO Cc1c(CN(CCC#N)C2CCCC2)[nH+]c2ccccn12 ZINC001137272039 803705365 /nfs/dbraw/zinc/70/53/65/803705365.db2.gz FMLRJQDTRZPCRL-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO Cc1cc(-c2ccccc2C2(C#N)CCOCC2)c[nH+]c1N ZINC001245538998 803797184 /nfs/dbraw/zinc/79/71/84/803797184.db2.gz CELPWERUEYZQKK-UHFFFAOYSA-N 1 2 293.370 3.211 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1F ZINC001137940196 803804369 /nfs/dbraw/zinc/80/43/69/803804369.db2.gz LZQNHEHMRCYGCE-WLLOZRIZSA-N 1 2 280.293 3.370 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1F ZINC001137940196 803804377 /nfs/dbraw/zinc/80/43/77/803804377.db2.gz LZQNHEHMRCYGCE-WLLOZRIZSA-N 1 2 280.293 3.370 20 30 CGEDLO COc1c(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001138425320 803929499 /nfs/dbraw/zinc/92/94/99/803929499.db2.gz NZHQGBCMQOGAPU-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001138425320 803929504 /nfs/dbraw/zinc/92/95/04/803929504.db2.gz NZHQGBCMQOGAPU-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(-c2ccccc2)ccc1OC ZINC001139071190 804123679 /nfs/dbraw/zinc/12/36/79/804123679.db2.gz GWKSTHNNZUXWAF-UHFFFAOYSA-N 1 2 289.378 3.431 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001139479716 804194152 /nfs/dbraw/zinc/19/41/52/804194152.db2.gz OQGRFUZITQCFQV-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001139479716 804194156 /nfs/dbraw/zinc/19/41/56/804194156.db2.gz OQGRFUZITQCFQV-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139523221 804200383 /nfs/dbraw/zinc/20/03/83/804200383.db2.gz ZWOBZSSLMKQUPA-SFHVURJKSA-N 1 2 277.371 3.484 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139523221 804200391 /nfs/dbraw/zinc/20/03/91/804200391.db2.gz ZWOBZSSLMKQUPA-SFHVURJKSA-N 1 2 277.371 3.484 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001139691597 804256653 /nfs/dbraw/zinc/25/66/53/804256653.db2.gz AIUYGDYOXBIELW-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139691597 804256659 /nfs/dbraw/zinc/25/66/59/804256659.db2.gz AIUYGDYOXBIELW-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO C=CCn1cc(C[N@H+]2CCc3ccc(Cl)cc3C2)cn1 ZINC001139766146 804277994 /nfs/dbraw/zinc/27/79/94/804277994.db2.gz KKLQAMFUEWXNPY-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C=CCn1cc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cn1 ZINC001139766146 804278002 /nfs/dbraw/zinc/27/80/02/804278002.db2.gz KKLQAMFUEWXNPY-UHFFFAOYSA-N 1 2 287.794 3.281 20 30 CGEDLO C=CCn1cc(C[N@@H+](CC)Cc2cccc(F)c2F)cn1 ZINC001139771277 804278775 /nfs/dbraw/zinc/27/87/75/804278775.db2.gz VPYGJZGCRWPPRM-UHFFFAOYSA-N 1 2 291.345 3.369 20 30 CGEDLO C=CCn1cc(C[N@H+](CC)Cc2cccc(F)c2F)cn1 ZINC001139771277 804278783 /nfs/dbraw/zinc/27/87/83/804278783.db2.gz VPYGJZGCRWPPRM-UHFFFAOYSA-N 1 2 291.345 3.369 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc2ccccc2cn1 ZINC001139999707 804348918 /nfs/dbraw/zinc/34/89/18/804348918.db2.gz ZTXRAUCPKDOMBP-UHFFFAOYSA-N 1 2 253.349 3.360 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc2ccccc2cn1 ZINC001139999707 804348924 /nfs/dbraw/zinc/34/89/24/804348924.db2.gz ZTXRAUCPKDOMBP-UHFFFAOYSA-N 1 2 253.349 3.360 20 30 CGEDLO Cc1ccc2[nH]nc(C[N@@H+](C)Cc3ccc(C#N)cc3)c2c1 ZINC001140330593 804415600 /nfs/dbraw/zinc/41/56/00/804415600.db2.gz GVEIYIACDUBAOU-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO Cc1ccc2[nH]nc(C[N@H+](C)Cc3ccc(C#N)cc3)c2c1 ZINC001140330593 804415602 /nfs/dbraw/zinc/41/56/02/804415602.db2.gz GVEIYIACDUBAOU-UHFFFAOYSA-N 1 2 290.370 3.375 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1Cl ZINC001141232858 804618280 /nfs/dbraw/zinc/61/82/80/804618280.db2.gz LYPJJXKIBWPHIV-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)ccc1Cl ZINC001141232858 804618282 /nfs/dbraw/zinc/61/82/82/804618282.db2.gz LYPJJXKIBWPHIV-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2occc2Br)CC1 ZINC001143131653 804806477 /nfs/dbraw/zinc/80/64/77/804806477.db2.gz WQLZBTXXOBZUGH-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2occc2Br)CC1 ZINC001143131653 804806484 /nfs/dbraw/zinc/80/64/84/804806484.db2.gz WQLZBTXXOBZUGH-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO CC1(F)CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164219 804813494 /nfs/dbraw/zinc/81/34/94/804813494.db2.gz BQFPAAZWFWORAP-UHFFFAOYSA-N 1 2 268.282 3.160 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143494943 804859393 /nfs/dbraw/zinc/85/93/93/804859393.db2.gz DECWWGYJIZLGMO-LBPRGKRZSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)c(F)ccc2OCC)C1 ZINC001143494943 804859397 /nfs/dbraw/zinc/85/93/97/804859397.db2.gz DECWWGYJIZLGMO-LBPRGKRZSA-N 1 2 279.330 3.209 20 30 CGEDLO CCOc1cc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001143575658 804868283 /nfs/dbraw/zinc/86/82/83/804868283.db2.gz HHUIYVYAFFCGFV-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001143575658 804868290 /nfs/dbraw/zinc/86/82/90/804868290.db2.gz HHUIYVYAFFCGFV-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO Cc1ccc(C(F)(F)F)c(C[NH+]2CC(CC#N)C2)c1 ZINC001143670127 804883184 /nfs/dbraw/zinc/88/31/84/804883184.db2.gz IPHAFAKSDAWGNE-UHFFFAOYSA-N 1 2 268.282 3.359 20 30 CGEDLO CC(C)O[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730804 804888938 /nfs/dbraw/zinc/88/89/38/804888938.db2.gz BHPPMFSYOVDZOM-CYBMUJFWSA-N 1 2 278.783 3.211 20 30 CGEDLO CC(C)O[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730804 804888945 /nfs/dbraw/zinc/88/89/45/804888945.db2.gz BHPPMFSYOVDZOM-CYBMUJFWSA-N 1 2 278.783 3.211 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001143726426 804889572 /nfs/dbraw/zinc/88/95/72/804889572.db2.gz PZAMCACPIWWGHU-ZDUSSCGKSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001143726426 804889579 /nfs/dbraw/zinc/88/95/79/804889579.db2.gz PZAMCACPIWWGHU-ZDUSSCGKSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(CF)CC1 ZINC001143726348 804889773 /nfs/dbraw/zinc/88/97/73/804889773.db2.gz NFBMLKCSLIXKMY-UHFFFAOYSA-N 1 2 266.747 3.393 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143897215 804903424 /nfs/dbraw/zinc/90/34/24/804903424.db2.gz AJCJXQHBUSMLQQ-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(OC)c2F)C1 ZINC001143897215 804903430 /nfs/dbraw/zinc/90/34/30/804903430.db2.gz AJCJXQHBUSMLQQ-LLVKDONJSA-N 1 2 281.758 3.333 20 30 CGEDLO COc1nccc(Cl)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001248794990 804993949 /nfs/dbraw/zinc/99/39/49/804993949.db2.gz LEOSMOAYRCHOCO-CNDDSTCGSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1nccc(Cl)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001248794990 804993954 /nfs/dbraw/zinc/99/39/54/804993954.db2.gz LEOSMOAYRCHOCO-CNDDSTCGSA-N 1 2 291.782 3.010 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)CC1 ZINC001144531290 804998864 /nfs/dbraw/zinc/99/88/64/804998864.db2.gz UVKCHVKZCBOVHU-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)CC1 ZINC001144531290 804998866 /nfs/dbraw/zinc/99/88/66/804998866.db2.gz UVKCHVKZCBOVHU-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249299646 805129521 /nfs/dbraw/zinc/12/95/21/805129521.db2.gz YYIBAVNICAWPDR-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO Cc1cn2c(cccc2Nc2ccccc2OCC#N)[nH+]1 ZINC001212595258 815080870 /nfs/dbraw/zinc/08/08/70/815080870.db2.gz KSMFFKNWENVTRT-UHFFFAOYSA-N 1 2 278.315 3.289 20 30 CGEDLO Cc1ccc(CN(C)c2[nH+]ccc3[nH]cc(C#N)c32)cc1 ZINC001166539133 807052784 /nfs/dbraw/zinc/05/27/84/807052784.db2.gz RVZGETGXTQCUKY-UHFFFAOYSA-N 1 2 276.343 3.379 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCCCC)C(=O)OCC ZINC001257503110 807183386 /nfs/dbraw/zinc/18/33/86/807183386.db2.gz LMBSPRILQKISBD-NFAWXSAZSA-N 1 2 253.386 3.053 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCCCC)C(=O)OCC ZINC001257503109 807183766 /nfs/dbraw/zinc/18/37/66/807183766.db2.gz LMBSPRILQKISBD-GZBFAFLISA-N 1 2 253.386 3.053 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC001167548509 807204727 /nfs/dbraw/zinc/20/47/27/807204727.db2.gz AAHUANVTWWPZJY-RDJZCZTQSA-N 1 2 257.377 3.170 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC001167548509 807204732 /nfs/dbraw/zinc/20/47/32/807204732.db2.gz AAHUANVTWWPZJY-RDJZCZTQSA-N 1 2 257.377 3.170 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257835985 807223861 /nfs/dbraw/zinc/22/38/61/807223861.db2.gz VWLVORQPNBOXRC-ODIFPOPNSA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257835985 807223868 /nfs/dbraw/zinc/22/38/68/807223868.db2.gz VWLVORQPNBOXRC-ODIFPOPNSA-N 1 2 272.392 3.358 20 30 CGEDLO Cc1ncc(C#N)cc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694270 815105618 /nfs/dbraw/zinc/10/56/18/815105618.db2.gz ROJKNRCXJSIQQC-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC(OC(C)C)CC1 ZINC001257877206 807233854 /nfs/dbraw/zinc/23/38/54/807233854.db2.gz YCLDIELRFARCRT-NRXISQOPSA-N 1 2 252.402 3.395 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168087443 807308374 /nfs/dbraw/zinc/30/83/74/807308374.db2.gz LLKZGQPCZSPYKV-HUUCEWRRSA-N 1 2 285.428 3.047 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2nccc(Cl)c2Cl)C1 ZINC001168424965 807411226 /nfs/dbraw/zinc/41/12/26/807411226.db2.gz YYJZJCFAGSHNHO-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2nccc(Cl)c2Cl)C1 ZINC001168424965 807411232 /nfs/dbraw/zinc/41/12/32/807411232.db2.gz YYJZJCFAGSHNHO-JTQLQIEISA-N 1 2 287.190 3.165 20 30 CGEDLO CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258792961 807615599 /nfs/dbraw/zinc/61/55/99/807615599.db2.gz ZLOOCKKYCLKAPY-IACUBPJLSA-N 1 2 267.438 3.475 20 30 CGEDLO CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258792961 807615604 /nfs/dbraw/zinc/61/56/04/807615604.db2.gz ZLOOCKKYCLKAPY-IACUBPJLSA-N 1 2 267.438 3.475 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(OC)cc2C#N)c[nH+]1 ZINC001212781655 815135827 /nfs/dbraw/zinc/13/58/27/815135827.db2.gz DDEWHTMVGMFBBM-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO Cn1c[nH+]c2ccc(NCc3ccc(C#N)c(F)c3)cc21 ZINC001170094240 807756751 /nfs/dbraw/zinc/75/67/51/807756751.db2.gz LEDUPLRIKBEHAU-UHFFFAOYSA-N 1 2 280.306 3.196 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)n[nH]1 ZINC001262020532 807808203 /nfs/dbraw/zinc/80/82/03/807808203.db2.gz DJRNBAGUVJWIMZ-ZDUSSCGKSA-N 1 2 272.396 3.016 20 30 CGEDLO CC(C)c1cc([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n[nH]1 ZINC001262020532 807808212 /nfs/dbraw/zinc/80/82/12/807808212.db2.gz DJRNBAGUVJWIMZ-ZDUSSCGKSA-N 1 2 272.396 3.016 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001263722614 807997926 /nfs/dbraw/zinc/99/79/26/807997926.db2.gz ABUMWINYKVIBEQ-CYBMUJFWSA-N 1 2 290.411 3.057 20 30 CGEDLO C=CC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001264340284 808058597 /nfs/dbraw/zinc/05/85/97/808058597.db2.gz OQEHDWZADJCRGN-UHFFFAOYSA-N 1 2 255.321 3.023 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCCOC3CCCCC3)c2)CC1 ZINC001171478063 808071342 /nfs/dbraw/zinc/07/13/42/808071342.db2.gz PGAUMHVOTFQTSU-UHFFFAOYSA-N 1 2 285.391 3.398 20 30 CGEDLO Cc1cc(NCCOc2ccc(C#N)cc2)[nH+]c2cc[nH]c21 ZINC001171484962 808074716 /nfs/dbraw/zinc/07/47/16/808074716.db2.gz YRKPXRQCRWPSHK-UHFFFAOYSA-N 1 2 292.342 3.234 20 30 CGEDLO CCCCCCC[C@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172357899 808252862 /nfs/dbraw/zinc/25/28/62/808252862.db2.gz MRQQZTCGVHDKPR-GOEBONIOSA-N 1 2 285.428 3.047 20 30 CGEDLO C[C@H](CCCC#N)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172506538 808361676 /nfs/dbraw/zinc/36/16/76/808361676.db2.gz VQYJBBFVIXOMLG-CABCVRRESA-N 1 2 299.409 3.264 20 30 CGEDLO CCCCCCC[C@H](CCC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001172511278 808366454 /nfs/dbraw/zinc/36/64/54/808366454.db2.gz PVKJZEWZHVCVSR-AWEZNQCLSA-N 1 2 289.485 3.244 20 30 CGEDLO N#CC1([NH2+]C2CCC3(CCCC3)CC2)CCOCC1 ZINC001172725657 808422140 /nfs/dbraw/zinc/42/21/40/808422140.db2.gz BDDJAILCSDLNMS-UHFFFAOYSA-N 1 2 262.397 3.152 20 30 CGEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173042683 808498649 /nfs/dbraw/zinc/49/86/49/808498649.db2.gz HWRXUKGUOJAGGL-OAHLLOKOSA-N 1 2 264.413 3.254 20 30 CGEDLO CCCOC1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173100916 808509744 /nfs/dbraw/zinc/50/97/44/808509744.db2.gz YWDDEDSZZJMSTQ-SHARSMKWSA-N 1 2 250.386 3.102 20 30 CGEDLO CCCOC1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173100916 808509747 /nfs/dbraw/zinc/50/97/47/808509747.db2.gz YWDDEDSZZJMSTQ-SHARSMKWSA-N 1 2 250.386 3.102 20 30 CGEDLO C#Cc1cc(Nc2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC001173821353 808689439 /nfs/dbraw/zinc/68/94/39/808689439.db2.gz DZHCXKYDMDXLDU-UHFFFAOYSA-N 1 2 262.234 3.247 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)CCC ZINC001275911587 808975205 /nfs/dbraw/zinc/97/52/05/808975205.db2.gz COMHNEPSCAPBLH-GFCCVEGCSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)CCC ZINC001275911587 808975209 /nfs/dbraw/zinc/97/52/09/808975209.db2.gz COMHNEPSCAPBLH-GFCCVEGCSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H](C)CC ZINC001275963956 808980771 /nfs/dbraw/zinc/98/07/71/808980771.db2.gz WMLDRBFCGFULOS-YPMHNXCESA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H](C)CC ZINC001275963956 808980777 /nfs/dbraw/zinc/98/07/77/808980777.db2.gz WMLDRBFCGFULOS-YPMHNXCESA-N 1 2 274.836 3.002 20 30 CGEDLO C#Cc1cc(Nc2ccc3c(c2)[nH+]cn3C(C)C)ccn1 ZINC001174380836 808985083 /nfs/dbraw/zinc/98/50/83/808985083.db2.gz MIBOIJXSSVAHFK-UHFFFAOYSA-N 1 2 276.343 3.159 20 30 CGEDLO N#Cc1cc(N)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523367 809061436 /nfs/dbraw/zinc/06/14/36/809061436.db2.gz JZDLGYCMTGJQKM-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001278434279 809133957 /nfs/dbraw/zinc/13/39/57/809133957.db2.gz OYCCISWLYZCEIP-HIFRSBDPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001278434279 809133959 /nfs/dbraw/zinc/13/39/59/809133959.db2.gz OYCCISWLYZCEIP-HIFRSBDPSA-N 1 2 286.847 3.146 20 30 CGEDLO C#CCC[N@@H+](CCOC)Cc1c(Cl)cccc1OCC ZINC001174853489 809179134 /nfs/dbraw/zinc/17/91/34/809179134.db2.gz LEORACVHRFAUGG-UHFFFAOYSA-N 1 2 295.810 3.210 20 30 CGEDLO C#CCC[N@H+](CCOC)Cc1c(Cl)cccc1OCC ZINC001174853489 809179138 /nfs/dbraw/zinc/17/91/38/809179138.db2.gz LEORACVHRFAUGG-UHFFFAOYSA-N 1 2 295.810 3.210 20 30 CGEDLO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1Cl)C(=O)OCC ZINC001175175956 809298677 /nfs/dbraw/zinc/29/86/77/809298677.db2.gz YDMOCJBCFIHQGY-DOMZBBRYSA-N 1 2 295.810 3.368 20 30 CGEDLO Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)cnc1C#N ZINC001175711186 809516270 /nfs/dbraw/zinc/51/62/70/809516270.db2.gz RFBQZFYVEUPNLS-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO Cc1c[nH+]cc(-n2cc(C#N)c3cc(N)ccc32)c1C ZINC001213534190 815301443 /nfs/dbraw/zinc/30/14/43/815301443.db2.gz QODOGVUMBLQQBP-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO COc1cc[nH+]cc1Nc1cc(Cl)ccc1C#N ZINC001176123215 809628535 /nfs/dbraw/zinc/62/85/35/809628535.db2.gz QFZJTYBNAXAJMH-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO CCCCCCC[C@@H](C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001181122643 810039051 /nfs/dbraw/zinc/03/90/51/810039051.db2.gz NAMSNQVIVAANAL-OAHLLOKOSA-N 1 2 291.439 3.264 20 30 CGEDLO C=C(C)CNC(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182221584 810099360 /nfs/dbraw/zinc/09/93/60/810099360.db2.gz ALSHYLRQGRPBJO-OAHLLOKOSA-N 1 2 294.826 3.415 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC001188923603 810523018 /nfs/dbraw/zinc/52/30/18/810523018.db2.gz HHHFZARJWPBUKL-UHFFFAOYSA-N 1 2 295.386 3.175 20 30 CGEDLO CCCCCCCCNC(=O)N(CC)CCn1cc[nH+]c1 ZINC001191067785 810670142 /nfs/dbraw/zinc/67/01/42/810670142.db2.gz AVRKJLZHWQJIFK-UHFFFAOYSA-N 1 2 294.443 3.275 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)Oc2ccc3ccccc3c2)CC1 ZINC001194643234 811100679 /nfs/dbraw/zinc/10/06/79/811100679.db2.gz IDIOENFZYSREGJ-UHFFFAOYSA-N 1 2 296.370 3.142 20 30 CGEDLO N#Cc1oc2ccccc2c1Nc1ccc(N)[nH+]c1 ZINC001201278519 811804948 /nfs/dbraw/zinc/80/49/48/811804948.db2.gz KKTITMSRWVAQMY-UHFFFAOYSA-N 1 2 250.261 3.025 20 30 CGEDLO Cc1cc(C#N)cc(Cl)c1Nc1ccc(N)[nH+]c1 ZINC001201286821 811807439 /nfs/dbraw/zinc/80/74/39/811807439.db2.gz BRHPSROASDXNSV-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO CCOC(=O)c1c(C)oc(Nc2ccc(C)[nH+]c2C)c1C#N ZINC001203370842 812328045 /nfs/dbraw/zinc/32/80/45/812328045.db2.gz WMZPCGORJZQWGE-UHFFFAOYSA-N 1 2 299.330 3.392 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)Cc2ccccc2)c1O ZINC001203584889 812400610 /nfs/dbraw/zinc/40/06/10/812400610.db2.gz JMIHSXYXSOVSKL-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)Cc2ccccc2)c1O ZINC001203584889 812400614 /nfs/dbraw/zinc/40/06/14/812400614.db2.gz JMIHSXYXSOVSKL-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO Cc1nc(C#N)cnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203718221 812439930 /nfs/dbraw/zinc/43/99/30/812439930.db2.gz WTCAUFNCPVZXED-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO Cc1cn2c(cccc2Nc2ccc(C#N)c(F)c2)[nH+]1 ZINC001204028234 812524538 /nfs/dbraw/zinc/52/45/38/812524538.db2.gz JWCWXCIHEJAIGB-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO CN(C)c1ccc(C#N)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC001204495927 812655433 /nfs/dbraw/zinc/65/54/33/812655433.db2.gz CDXARBFNJDLMFN-UHFFFAOYSA-N 1 2 298.434 3.386 20 30 CGEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001204495927 812655437 /nfs/dbraw/zinc/65/54/37/812655437.db2.gz CDXARBFNJDLMFN-UHFFFAOYSA-N 1 2 298.434 3.386 20 30 CGEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001204548641 812675476 /nfs/dbraw/zinc/67/54/76/812675476.db2.gz WYFNGCUDSFAJOX-AWEZNQCLSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001204548641 812675480 /nfs/dbraw/zinc/67/54/80/812675480.db2.gz WYFNGCUDSFAJOX-AWEZNQCLSA-N 1 2 299.399 3.058 20 30 CGEDLO CC(C)(O)C#Cc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204997650 812816095 /nfs/dbraw/zinc/81/60/95/812816095.db2.gz LYVMXFINOIHDCP-UHFFFAOYSA-N 1 2 291.354 3.200 20 30 CGEDLO C(#Cc1ccccc1)CNc1ccc(N2CCCC2)c[nH+]1 ZINC001206376413 813308583 /nfs/dbraw/zinc/30/85/83/813308583.db2.gz GNIMLFQVJDMUIX-UHFFFAOYSA-N 1 2 277.371 3.145 20 30 CGEDLO N#C[C@H]1CCCC[N@@H+]1CC1CCN(c2ccccc2)CC1 ZINC001208911952 813895964 /nfs/dbraw/zinc/89/59/64/813895964.db2.gz JQUNQGNYEUYIRM-GOSISDBHSA-N 1 2 283.419 3.281 20 30 CGEDLO N#C[C@H]1CCCC[N@H+]1CC1CCN(c2ccccc2)CC1 ZINC001208911952 813895972 /nfs/dbraw/zinc/89/59/72/813895972.db2.gz JQUNQGNYEUYIRM-GOSISDBHSA-N 1 2 283.419 3.281 20 30 CGEDLO COc1cc(C#N)ccc1Nc1ccc2c(c1)[nH+]cn2C ZINC001209433351 814034706 /nfs/dbraw/zinc/03/47/06/814034706.db2.gz MHHMLRFLRDWXID-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cn1 ZINC001209517625 814070968 /nfs/dbraw/zinc/07/09/68/814070968.db2.gz KLYDWNQIAZJONC-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO Cc1cc(-n2cc(C#N)c3ccc(N)cc32)ccc1[NH+](C)C ZINC001210043527 814261734 /nfs/dbraw/zinc/26/17/34/814261734.db2.gz GTFBLJNUPGIVEE-UHFFFAOYSA-N 1 2 290.370 3.459 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)c(F)cc2F)cc[nH+]1 ZINC001210110309 814294136 /nfs/dbraw/zinc/29/41/36/814294136.db2.gz XDNQMFCIKRKNHO-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO N#Cc1cc(Nc2ccccc2-n2cc[nH+]c2)ccc1O ZINC001210529404 814511309 /nfs/dbraw/zinc/51/13/09/814511309.db2.gz HRIWCQBKPSUWOU-UHFFFAOYSA-N 1 2 276.299 3.193 20 30 CGEDLO Cc1cc(C)c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c[nH+]1 ZINC001211326424 814879337 /nfs/dbraw/zinc/87/93/37/814879337.db2.gz AAMIMOXAUBQDDR-UHFFFAOYSA-N 1 2 268.276 3.222 20 30 CGEDLO C#Cc1cc(Nc2cccc(-c3ccncc3)c2)cc[nH+]1 ZINC001216143429 815713583 /nfs/dbraw/zinc/71/35/83/815713583.db2.gz FQLMKFNFFIQNBB-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO C#Cc1cc(Nc2c(C)cc(F)cc2Cl)cc[nH+]1 ZINC001216401383 815813935 /nfs/dbraw/zinc/81/39/35/815813935.db2.gz JBTNRHFMSIBOOC-UHFFFAOYSA-N 1 2 260.699 3.329 20 30 CGEDLO CCCCCCCCCC[C@@H](C)OC[C@@H]([NH3+])C(=O)OC ZINC001217891904 815991965 /nfs/dbraw/zinc/99/19/65/815991965.db2.gz BZZNYCIKVPGXCM-HUUCEWRRSA-N 1 2 287.444 3.423 20 30 CGEDLO CCCCCCCC[C@H](CC)OC[C@@H]([NH3+])C(=O)OC ZINC001217898811 815995906 /nfs/dbraw/zinc/99/59/06/815995906.db2.gz XXRWGMIBAKBRJT-UONOGXRCSA-N 1 2 273.417 3.033 20 30 CGEDLO N#Cc1ccc2cc(O[C@@H]3CC[NH2+]CC3(F)F)ccc2c1 ZINC001218007412 816049074 /nfs/dbraw/zinc/04/90/74/816049074.db2.gz PVYOOXUSEWOSGI-OAHLLOKOSA-N 1 2 288.297 3.087 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001221898939 816333562 /nfs/dbraw/zinc/33/35/62/816333562.db2.gz HWTOMLFWRPQYIT-RRFJBIMHSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001221898939 816333569 /nfs/dbraw/zinc/33/35/69/816333569.db2.gz HWTOMLFWRPQYIT-RRFJBIMHSA-N 1 2 298.858 3.098 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)c(O)c2)cc1C#N ZINC001243062927 823232569 /nfs/dbraw/zinc/23/25/69/823232569.db2.gz PJKKHOZQAQUDKC-VXLYETTFSA-N 1 2 283.306 3.291 20 30 CGEDLO C(#Cc1ccccc1C[N@@H+]1CCC12COC2)c1ccccc1 ZINC001231577739 818128168 /nfs/dbraw/zinc/12/81/68/818128168.db2.gz ANUXEVXTBRLMCU-UHFFFAOYSA-N 1 2 289.378 3.061 20 30 CGEDLO C(#Cc1ccccc1C[N@H+]1CCC12COC2)c1ccccc1 ZINC001231577739 818128170 /nfs/dbraw/zinc/12/81/70/818128170.db2.gz ANUXEVXTBRLMCU-UHFFFAOYSA-N 1 2 289.378 3.061 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc1Cl ZINC001232116926 818259819 /nfs/dbraw/zinc/25/98/19/818259819.db2.gz SAHUULFDEBSWQH-LBPRGKRZSA-N 1 2 296.798 3.241 20 30 CGEDLO Cc1c(F)cc(C[NH+]2CCC(C#N)CC2)cc1F ZINC001232419418 818343978 /nfs/dbraw/zinc/34/39/78/818343978.db2.gz FKCLRRYXUIWUCI-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001232675912 818416578 /nfs/dbraw/zinc/41/65/78/818416578.db2.gz FJGCSUZKQHLEBN-GFCCVEGCSA-N 1 2 284.281 3.038 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001232675912 818416580 /nfs/dbraw/zinc/41/65/80/818416580.db2.gz FJGCSUZKQHLEBN-GFCCVEGCSA-N 1 2 284.281 3.038 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001232678503 818417601 /nfs/dbraw/zinc/41/76/01/818417601.db2.gz AXIXLRZNZULFJB-HOCLYGCPSA-N 1 2 270.376 3.418 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001232678503 818417604 /nfs/dbraw/zinc/41/76/04/818417604.db2.gz AXIXLRZNZULFJB-HOCLYGCPSA-N 1 2 270.376 3.418 20 30 CGEDLO CCC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232679179 818417919 /nfs/dbraw/zinc/41/79/19/818417919.db2.gz GBDGFKVNWKWVFM-HNNXBMFYSA-N 1 2 258.365 3.418 20 30 CGEDLO CCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232679179 818417921 /nfs/dbraw/zinc/41/79/21/818417921.db2.gz GBDGFKVNWKWVFM-HNNXBMFYSA-N 1 2 258.365 3.418 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c(C#N)c1 ZINC001232963158 818484140 /nfs/dbraw/zinc/48/41/40/818484140.db2.gz BTSVSFRVNXKKJN-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c(C#N)c1 ZINC001232963158 818484143 /nfs/dbraw/zinc/48/41/43/818484143.db2.gz BTSVSFRVNXKKJN-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001233020930 818501932 /nfs/dbraw/zinc/50/19/32/818501932.db2.gz WKOTXDNXGKSXNW-LBPRGKRZSA-N 1 2 292.404 3.050 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001233020930 818501939 /nfs/dbraw/zinc/50/19/39/818501939.db2.gz WKOTXDNXGKSXNW-LBPRGKRZSA-N 1 2 292.404 3.050 20 30 CGEDLO CCc1ccc(C[N@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233048034 818509727 /nfs/dbraw/zinc/50/97/27/818509727.db2.gz SOMBLSGYRREBNG-UHFFFAOYSA-N 1 2 253.349 3.081 20 30 CGEDLO CCc1ccc(C[N@@H+](C)Cc2[nH]ccc2C#N)cc1 ZINC001233048034 818509730 /nfs/dbraw/zinc/50/97/30/818509730.db2.gz SOMBLSGYRREBNG-UHFFFAOYSA-N 1 2 253.349 3.081 20 30 CGEDLO CC[N@H+](Cc1[nH]ccc1C#N)Cc1ccc(C)cc1 ZINC001233048309 818509913 /nfs/dbraw/zinc/50/99/13/818509913.db2.gz DEZSEZKIRUYXIC-UHFFFAOYSA-N 1 2 253.349 3.217 20 30 CGEDLO CC[N@@H+](Cc1[nH]ccc1C#N)Cc1ccc(C)cc1 ZINC001233048309 818509916 /nfs/dbraw/zinc/50/99/16/818509916.db2.gz DEZSEZKIRUYXIC-UHFFFAOYSA-N 1 2 253.349 3.217 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001233343589 818590249 /nfs/dbraw/zinc/59/02/49/818590249.db2.gz SNWNDBMHNBDSKD-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001233343589 818590258 /nfs/dbraw/zinc/59/02/58/818590258.db2.gz SNWNDBMHNBDSKD-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C[C@]1(CF)CC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650604 819130878 /nfs/dbraw/zinc/13/08/78/819130878.db2.gz GULLWJIKTLVFSE-CQSZACIVSA-N 1 2 268.282 3.018 20 30 CGEDLO C[C@]1(CF)CC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650604 819130879 /nfs/dbraw/zinc/13/08/79/819130879.db2.gz GULLWJIKTLVFSE-CQSZACIVSA-N 1 2 268.282 3.018 20 30 CGEDLO Cc1nc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc2s1 ZINC001235860514 819188514 /nfs/dbraw/zinc/18/85/14/819188514.db2.gz ZCJDZFXIBMJCRA-OAHLLOKOSA-N 1 2 271.389 3.340 20 30 CGEDLO Cc1nc2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc2s1 ZINC001235860514 819188515 /nfs/dbraw/zinc/18/85/15/819188515.db2.gz ZCJDZFXIBMJCRA-OAHLLOKOSA-N 1 2 271.389 3.340 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)c(F)cc1F ZINC001237539039 819774388 /nfs/dbraw/zinc/77/43/88/819774388.db2.gz XMRAHAKURQKFGB-UHFFFAOYSA-N 1 2 297.308 3.340 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)c(F)cc1F ZINC001237539039 819774391 /nfs/dbraw/zinc/77/43/91/819774391.db2.gz XMRAHAKURQKFGB-UHFFFAOYSA-N 1 2 297.308 3.340 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(F)c1OC ZINC001238471159 820014531 /nfs/dbraw/zinc/01/45/31/820014531.db2.gz CVBJPCQJHUIZIB-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)cnc1-c1ccccc1 ZINC001238614804 820061667 /nfs/dbraw/zinc/06/16/67/820061667.db2.gz LPDMBFCWSNKBFC-OAHLLOKOSA-N 1 2 277.371 3.403 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)cnc1-c1ccccc1 ZINC001238614804 820061677 /nfs/dbraw/zinc/06/16/77/820061677.db2.gz LPDMBFCWSNKBFC-OAHLLOKOSA-N 1 2 277.371 3.403 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001238770625 820113024 /nfs/dbraw/zinc/11/30/24/820113024.db2.gz PMJVTHHLIUCHCT-MRXNPFEDSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001238770625 820113027 /nfs/dbraw/zinc/11/30/27/820113027.db2.gz PMJVTHHLIUCHCT-MRXNPFEDSA-N 1 2 258.365 3.048 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)cn1 ZINC001238801050 820125424 /nfs/dbraw/zinc/12/54/24/820125424.db2.gz BBAWVQUEVRMQKK-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)cn1 ZINC001238801050 820125429 /nfs/dbraw/zinc/12/54/29/820125429.db2.gz BBAWVQUEVRMQKK-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO Cc1ccnc(C#N)c1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243659836 823477389 /nfs/dbraw/zinc/47/73/89/823477389.db2.gz HGKLGDCUSKEOKN-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO Cc1cnc(-c2ccc(Cn3cc[nH+]c3)cc2)c(/C=N/O)c1 ZINC001243655828 823475745 /nfs/dbraw/zinc/47/57/45/823475745.db2.gz BMLDRVKEQQXSNQ-KEBDBYFISA-N 1 2 292.342 3.110 20 30 CGEDLO Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)nc(C)c1C#N ZINC001243656612 823476916 /nfs/dbraw/zinc/47/69/16/823476916.db2.gz NRHQZLGFDVSOJM-UHFFFAOYSA-N 1 2 288.354 3.482 20 30 CGEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)nc1C(F)(F)F ZINC001240497731 821094596 /nfs/dbraw/zinc/09/45/96/821094596.db2.gz XVTYHARTDDPRLK-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccn1 ZINC001240719497 821274375 /nfs/dbraw/zinc/27/43/75/821274375.db2.gz VLIBYMGJGGZOAR-YBFXNURJSA-N 1 2 264.332 3.150 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(F)cc1C#N ZINC001242581573 823042834 /nfs/dbraw/zinc/04/28/34/823042834.db2.gz CZGAMFNMAANUMI-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@@](C)(CC)C2)c1=S ZINC001339606643 936379450 /nfs/dbraw/zinc/37/94/50/936379450.db2.gz YNRLYJBCEAVKOX-CQSZACIVSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@](C)(CC)C2)c1=S ZINC001339606643 936379453 /nfs/dbraw/zinc/37/94/53/936379453.db2.gz YNRLYJBCEAVKOX-CQSZACIVSA-N 1 2 280.441 3.070 20 30 CGEDLO CCc1ccc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)[nH+]c1 ZINC001348336937 936917906 /nfs/dbraw/zinc/91/79/06/936917906.db2.gz NBMXZSPBFATYAL-QGZVFWFLSA-N 1 2 293.370 3.094 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001480322767 937045680 /nfs/dbraw/zinc/04/56/80/937045680.db2.gz IRCSHYJYFJYPSC-HOCLYGCPSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001480322767 937045683 /nfs/dbraw/zinc/04/56/83/937045683.db2.gz IRCSHYJYFJYPSC-HOCLYGCPSA-N 1 2 296.842 3.066 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1N[C@H]1CC[C@H](C#N)CC1 ZINC001167847474 927031815 /nfs/dbraw/zinc/03/18/15/927031815.db2.gz LLAWSQZSTJRSIE-JOCQHMNTSA-N 1 2 259.353 3.363 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC001343039700 927032225 /nfs/dbraw/zinc/03/22/25/927032225.db2.gz OGCSPIFJDZRXDN-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO C=CC[N@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC001343039700 927032239 /nfs/dbraw/zinc/03/22/39/927032239.db2.gz OGCSPIFJDZRXDN-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](CCC)C(C)C ZINC001498397545 927140839 /nfs/dbraw/zinc/14/08/39/927140839.db2.gz FXZOHESPIDSCAL-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](CCC)C(C)C ZINC001498397545 927140848 /nfs/dbraw/zinc/14/08/48/927140848.db2.gz FXZOHESPIDSCAL-UONOGXRCSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001483402186 927499237 /nfs/dbraw/zinc/49/92/37/927499237.db2.gz UTLCRVBDZQTSLJ-ZFWWWQNUSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001483402186 927499247 /nfs/dbraw/zinc/49/92/47/927499247.db2.gz UTLCRVBDZQTSLJ-ZFWWWQNUSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001485530523 927881897 /nfs/dbraw/zinc/88/18/97/927881897.db2.gz KYSXQQLHNQKJKA-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001485573539 927891814 /nfs/dbraw/zinc/89/18/14/927891814.db2.gz BVXPSIMOAJYZCM-AWEZNQCLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001485573539 927891825 /nfs/dbraw/zinc/89/18/25/927891825.db2.gz BVXPSIMOAJYZCM-AWEZNQCLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001494910855 928277413 /nfs/dbraw/zinc/27/74/13/928277413.db2.gz QIFHTDAJQKOTOH-GJZGRUSLSA-N 1 2 298.858 3.264 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494910855 928277426 /nfs/dbraw/zinc/27/74/26/928277426.db2.gz QIFHTDAJQKOTOH-GJZGRUSLSA-N 1 2 298.858 3.264 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001320039806 928486515 /nfs/dbraw/zinc/48/65/15/928486515.db2.gz QHCZQPPDWNOQPT-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001320039806 928486525 /nfs/dbraw/zinc/48/65/25/928486525.db2.gz QHCZQPPDWNOQPT-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CC(C)(C)CC(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001455775327 937420614 /nfs/dbraw/zinc/42/06/14/937420614.db2.gz YXCUPVZVKKQRDF-CYBMUJFWSA-N 1 2 275.396 3.292 20 30 CGEDLO N#CC1CCC(Oc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001229951602 932508610 /nfs/dbraw/zinc/50/86/10/932508610.db2.gz SBUUZGYVKNTUPJ-UHFFFAOYSA-N 1 2 267.332 3.333 20 30 CGEDLO CCC1=C(Oc2ccc(-c3[nH]cc[nH+]3)cc2)C(=O)[C@H](C)O1 ZINC001231080831 932674723 /nfs/dbraw/zinc/67/47/23/932674723.db2.gz IHZWCNPRHAFSOB-JTQLQIEISA-N 1 2 284.315 3.065 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(CC)[nH+]c(CC)n1 ZINC001307170393 932924127 /nfs/dbraw/zinc/92/41/27/932924127.db2.gz AOMWLWADAQSWKH-OKILXGFUSA-N 1 2 257.381 3.289 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC001307898603 933017252 /nfs/dbraw/zinc/01/72/52/933017252.db2.gz ZRLVRNQSZANWTQ-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC001307898603 933017256 /nfs/dbraw/zinc/01/72/56/933017256.db2.gz ZRLVRNQSZANWTQ-BBRMVZONSA-N 1 2 277.795 3.191 20 30 CGEDLO C#CC[N@@H+](CCC1CCCCC1)CC(=O)OC(C)(C)C ZINC001308851430 933190908 /nfs/dbraw/zinc/19/09/08/933190908.db2.gz LKUVWUMUQLMGNL-UHFFFAOYSA-N 1 2 279.424 3.234 20 30 CGEDLO C#CC[N@H+](CCC1CCCCC1)CC(=O)OC(C)(C)C ZINC001308851430 933190909 /nfs/dbraw/zinc/19/09/09/933190909.db2.gz LKUVWUMUQLMGNL-UHFFFAOYSA-N 1 2 279.424 3.234 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OCC ZINC001308899790 933199804 /nfs/dbraw/zinc/19/98/04/933199804.db2.gz BWUBHDIRULNEJW-AAEUAGOBSA-N 1 2 273.804 3.229 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCC(C)C ZINC001322250758 934265832 /nfs/dbraw/zinc/26/58/32/934265832.db2.gz XCVRABYTHXRCMV-ZDUSSCGKSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCC(C)C ZINC001322250758 934265828 /nfs/dbraw/zinc/26/58/28/934265828.db2.gz XCVRABYTHXRCMV-ZDUSSCGKSA-N 1 2 274.836 3.002 20 30 CGEDLO C=CC[C@H]([NH2+]CCc1ccc(F)cc1Cl)C(=O)OCC ZINC001323935996 934441268 /nfs/dbraw/zinc/44/12/68/934441268.db2.gz MXDFJKGVNGNSAK-AWEZNQCLSA-N 1 2 299.773 3.119 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001326382220 934975685 /nfs/dbraw/zinc/97/56/85/934975685.db2.gz PYZPDZVJZHOEMU-DOMZBBRYSA-N 1 2 279.355 3.027 20 30 CGEDLO COc1ccc(C)cc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001326689237 934999051 /nfs/dbraw/zinc/99/90/51/934999051.db2.gz DWHJTPZCZIKLBR-CMDGGOBGSA-N 1 2 296.370 3.361 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001493109987 937947391 /nfs/dbraw/zinc/94/73/91/937947391.db2.gz FQNIXBVDRIAWCU-OLZOCXBDSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001493109987 937947392 /nfs/dbraw/zinc/94/73/92/937947392.db2.gz FQNIXBVDRIAWCU-OLZOCXBDSA-N 1 2 286.847 3.002 20 30 CGEDLO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001493929267 937952151 /nfs/dbraw/zinc/95/21/51/937952151.db2.gz VBLCIYCLNLUORQ-IYBDPMFKSA-N 1 2 298.446 3.382 20 30 CGEDLO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001493929267 937952152 /nfs/dbraw/zinc/95/21/52/937952152.db2.gz VBLCIYCLNLUORQ-IYBDPMFKSA-N 1 2 298.446 3.382 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001505882521 937987559 /nfs/dbraw/zinc/98/75/59/937987559.db2.gz USUMHTPQICTLRG-WCQYABFASA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001505882521 937987560 /nfs/dbraw/zinc/98/75/60/937987560.db2.gz USUMHTPQICTLRG-WCQYABFASA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001507379888 937995446 /nfs/dbraw/zinc/99/54/46/937995446.db2.gz CCFFULBAHSCSBA-CABCVRRESA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001507379888 937995447 /nfs/dbraw/zinc/99/54/47/937995447.db2.gz CCFFULBAHSCSBA-CABCVRRESA-N 1 2 298.858 3.454 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC(C)(C)CC)CC1 ZINC001508206283 937998837 /nfs/dbraw/zinc/99/88/37/937998837.db2.gz FLOVFAYDIIHXEM-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC(C)(C)CC)CC1 ZINC001508206283 937998838 /nfs/dbraw/zinc/99/88/38/937998838.db2.gz FLOVFAYDIIHXEM-UHFFFAOYSA-N 1 2 298.858 3.314 20 30 CGEDLO Cc1[nH]c([C@H]2CCCN2C(=O)CCCCCC#N)[nH+]c1C ZINC001558353902 938214879 /nfs/dbraw/zinc/21/48/79/938214879.db2.gz UIBYJILRUIBRQX-CQSZACIVSA-N 1 2 288.395 3.164 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC001560837164 938278706 /nfs/dbraw/zinc/27/87/06/938278706.db2.gz KZYAQIWQSMJCKY-HZSPNIEDSA-N 1 2 299.480 3.394 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001560967479 938286999 /nfs/dbraw/zinc/28/69/99/938286999.db2.gz INLFKEINPFRYSA-NEPJUHHUSA-N 1 2 273.804 3.229 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001560968321 938287104 /nfs/dbraw/zinc/28/71/04/938287104.db2.gz ZKEUZWBDXSFDQR-IKGGRYGDSA-N 1 2 287.403 3.420 20 30 CGEDLO N#CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000425978067 957836779 /nfs/dbraw/zinc/83/67/79/957836779.db2.gz NRWVSQNZMQFPJW-UHFFFAOYSA-N 1 2 294.402 3.228 20 30 CGEDLO N#Cc1cc(Nc2ccn3cc[nH+]c3c2)ccc1F ZINC001176614532 957883199 /nfs/dbraw/zinc/88/31/99/957883199.db2.gz MEVJOXZIVFHLTR-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CC#N ZINC001560574409 960608575 /nfs/dbraw/zinc/60/85/75/960608575.db2.gz BMUBRPHHZFNWCE-MRVPVSSYSA-N 1 2 273.163 3.394 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC(=C)Cl)CCC1 ZINC001567379536 961301361 /nfs/dbraw/zinc/30/13/61/961301361.db2.gz XEMLSTKLPZJGQY-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)Cl)CCC1 ZINC001567379536 961301379 /nfs/dbraw/zinc/30/13/79/961301379.db2.gz XEMLSTKLPZJGQY-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001567925946 961464586 /nfs/dbraw/zinc/46/45/86/961464586.db2.gz WJVAQWSDFRAOJG-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001567925946 961464594 /nfs/dbraw/zinc/46/45/94/961464594.db2.gz WJVAQWSDFRAOJG-CQSZACIVSA-N 1 2 298.858 3.242 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)ccn1 ZINC000590762497 346872446 /nfs/dbraw/zinc/87/24/46/346872446.db2.gz RYEVQZFFSGMKMY-INIZCTEOSA-N 1 2 279.343 3.273 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)ccn1 ZINC000590762497 346872455 /nfs/dbraw/zinc/87/24/55/346872455.db2.gz RYEVQZFFSGMKMY-INIZCTEOSA-N 1 2 279.343 3.273 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000590760017 346872638 /nfs/dbraw/zinc/87/26/38/346872638.db2.gz GTIHGHMPPIMQSB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000590760017 346872642 /nfs/dbraw/zinc/87/26/42/346872642.db2.gz GTIHGHMPPIMQSB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439441536 529534205 /nfs/dbraw/zinc/53/42/05/529534205.db2.gz QBWOQPKRSZIPPM-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439441536 529534207 /nfs/dbraw/zinc/53/42/07/529534207.db2.gz QBWOQPKRSZIPPM-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1csnn1 ZINC000591256105 346912478 /nfs/dbraw/zinc/91/24/78/346912478.db2.gz IBQHTYSMFWECSL-QMTHXVAHSA-N 1 2 284.388 3.138 20 30 CGEDLO CCc1ccc([C@@H](CO)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428346694 529709476 /nfs/dbraw/zinc/70/94/76/529709476.db2.gz OREPMETVZSPUQF-GOSISDBHSA-N 1 2 298.361 3.083 20 30 CGEDLO N#Cc1cnccc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000592060998 346958156 /nfs/dbraw/zinc/95/81/56/346958156.db2.gz IPXIAYXSJUWRPD-UHFFFAOYSA-N 1 2 281.359 3.491 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000592060998 346958157 /nfs/dbraw/zinc/95/81/57/346958157.db2.gz IPXIAYXSJUWRPD-UHFFFAOYSA-N 1 2 281.359 3.491 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CC2(CCCC2)O1 ZINC000592194453 346971495 /nfs/dbraw/zinc/97/14/95/346971495.db2.gz PARQZBDTPSVUNU-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC2(CCCC2)O1 ZINC000592194453 346971496 /nfs/dbraw/zinc/97/14/96/346971496.db2.gz PARQZBDTPSVUNU-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO CN(Cc1cccc(C#N)c1)c1cc[nH+]c2ccncc21 ZINC000444117955 529993165 /nfs/dbraw/zinc/99/31/65/529993165.db2.gz LYQBEJKJRWCGSW-UHFFFAOYSA-N 1 2 274.327 3.138 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000295089185 199340368 /nfs/dbraw/zinc/34/03/68/199340368.db2.gz YYHILOQJYAHACE-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cn2cc(Cl)ccc2n1 ZINC000052869014 345109136 /nfs/dbraw/zinc/10/91/36/345109136.db2.gz TZGPDKSXWQBJIG-UHFFFAOYSA-N 1 2 261.756 3.162 20 30 CGEDLO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C#N)CC1 ZINC000057906784 345190421 /nfs/dbraw/zinc/19/04/21/345190421.db2.gz JKFMOJWCHNGUNI-SNVBAGLBSA-N 1 2 288.376 3.095 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)C3(C#N)CCCCC3)cc2[nH+]1 ZINC000057430567 345180084 /nfs/dbraw/zinc/18/00/84/345180084.db2.gz HRNOGBGABCOJID-UHFFFAOYSA-N 1 2 282.347 3.284 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3ccc(Cl)c(C#N)n3)cn21 ZINC000068772392 345361731 /nfs/dbraw/zinc/36/17/31/345361731.db2.gz HJLNRGVLUZNRBR-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(CC)o1)Cc1ccc(OC)cc1 ZINC000075643625 345517529 /nfs/dbraw/zinc/51/75/29/345517529.db2.gz MHLIRZPOTDZUQN-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO C=CC[N@H+](Cc1ncc(CC)o1)Cc1ccc(OC)cc1 ZINC000075643625 345517532 /nfs/dbraw/zinc/51/75/32/345517532.db2.gz MHLIRZPOTDZUQN-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(CC)o1)Cc1cccc(C#N)c1 ZINC000075674299 345517950 /nfs/dbraw/zinc/51/79/50/345517950.db2.gz XJNWMUZGAJOIDE-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO C=CC[N@H+](Cc1ncc(CC)o1)Cc1cccc(C#N)c1 ZINC000075674299 345517952 /nfs/dbraw/zinc/51/79/52/345517952.db2.gz XJNWMUZGAJOIDE-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1ccc(C#N)cc1F ZINC000080924769 345689216 /nfs/dbraw/zinc/68/92/16/345689216.db2.gz RIFCNHGPWYCUGO-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(C#N)cc1F ZINC000080924769 345689219 /nfs/dbraw/zinc/68/92/19/345689219.db2.gz RIFCNHGPWYCUGO-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1ccc2ccccc2c1 ZINC000083218986 345725106 /nfs/dbraw/zinc/72/51/06/345725106.db2.gz PRLLMNVLYBZZCH-UHFFFAOYSA-N 1 2 254.333 3.064 20 30 CGEDLO C[N@H+](CCC#N)CCOc1ccc2ccccc2c1 ZINC000083218986 345725107 /nfs/dbraw/zinc/72/51/07/345725107.db2.gz PRLLMNVLYBZZCH-UHFFFAOYSA-N 1 2 254.333 3.064 20 30 CGEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000091424652 345812776 /nfs/dbraw/zinc/81/27/76/345812776.db2.gz YBPXLFOEDOTYEP-UHFFFAOYSA-N 1 2 294.280 3.276 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)C[C@H](C)C#N)cc(=O)oc2c1C ZINC000143249367 346113583 /nfs/dbraw/zinc/11/35/83/346113583.db2.gz HCJNTGRWEVFOJG-LLVKDONJSA-N 1 2 284.359 3.001 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)C[C@H](C)C#N)cc(=O)oc2c1C ZINC000143249367 346113585 /nfs/dbraw/zinc/11/35/85/346113585.db2.gz HCJNTGRWEVFOJG-LLVKDONJSA-N 1 2 284.359 3.001 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000192071365 346267243 /nfs/dbraw/zinc/26/72/43/346267243.db2.gz AFJFNIWZPLUHHA-HXUWFJFHSA-N 1 2 291.394 3.286 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000192071365 346267245 /nfs/dbraw/zinc/26/72/45/346267245.db2.gz AFJFNIWZPLUHHA-HXUWFJFHSA-N 1 2 291.394 3.286 20 30 CGEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000273283103 192099698 /nfs/dbraw/zinc/09/96/98/192099698.db2.gz JHERASPQXLBCLH-NSHDSACASA-N 1 2 260.312 3.031 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1[nH]ncc1Br)C1CC1 ZINC000309339529 346468971 /nfs/dbraw/zinc/46/89/71/346468971.db2.gz KUMNUYFXTAVAMC-NSHDSACASA-N 1 2 284.201 3.007 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000593573528 347091912 /nfs/dbraw/zinc/09/19/12/347091912.db2.gz YKUPAQKRFSUMNL-CQSZACIVSA-N 1 2 282.391 3.223 20 30 CGEDLO Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@H](C)CC#N ZINC000593573528 347091915 /nfs/dbraw/zinc/09/19/15/347091915.db2.gz YKUPAQKRFSUMNL-CQSZACIVSA-N 1 2 282.391 3.223 20 30 CGEDLO Cc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)s1 ZINC000593697550 347104894 /nfs/dbraw/zinc/10/48/94/347104894.db2.gz LYUJGZYFZRUWIH-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)s1 ZINC000593697550 347104898 /nfs/dbraw/zinc/10/48/98/347104898.db2.gz LYUJGZYFZRUWIH-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000593988558 347131216 /nfs/dbraw/zinc/13/12/16/347131216.db2.gz PNUUYKDURNGADQ-LBPRGKRZSA-N 1 2 293.370 3.387 20 30 CGEDLO Cc1c[nH+]c(CCNc2c(C#N)cccc2[N+](=O)[O-])c(C)c1 ZINC000594597507 347199473 /nfs/dbraw/zinc/19/94/73/347199473.db2.gz WFGILIPVQAMCRT-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000594609686 347203286 /nfs/dbraw/zinc/20/32/86/347203286.db2.gz NKQWDFLTSNUDSO-UHFFFAOYSA-N 1 2 296.418 3.471 20 30 CGEDLO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)CC(C)(C)C#N ZINC000594609686 347203289 /nfs/dbraw/zinc/20/32/89/347203289.db2.gz NKQWDFLTSNUDSO-UHFFFAOYSA-N 1 2 296.418 3.471 20 30 CGEDLO CCCc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595610466 347326631 /nfs/dbraw/zinc/32/66/31/347326631.db2.gz ZFZVODBRNRQEDD-GFCCVEGCSA-N 1 2 263.410 3.221 20 30 CGEDLO CCCc1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595610466 347326635 /nfs/dbraw/zinc/32/66/35/347326635.db2.gz ZFZVODBRNRQEDD-GFCCVEGCSA-N 1 2 263.410 3.221 20 30 CGEDLO CC[N@H+](CCCOc1cc(C)cc(C)c1)[C@H](C)C#N ZINC000595811910 347358050 /nfs/dbraw/zinc/35/80/50/347358050.db2.gz HRJCYKJABZBLIL-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1cc(C)cc(C)c1)[C@H](C)C#N ZINC000595811910 347358052 /nfs/dbraw/zinc/35/80/52/347358052.db2.gz HRJCYKJABZBLIL-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OCC ZINC000595834050 347363331 /nfs/dbraw/zinc/36/33/31/347363331.db2.gz GMNLMUWXUZUMFY-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO CCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OCC ZINC000595834050 347363333 /nfs/dbraw/zinc/36/33/33/347363333.db2.gz GMNLMUWXUZUMFY-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000595838710 347364589 /nfs/dbraw/zinc/36/45/89/347364589.db2.gz DMWOUYZYWTZRPT-AWEZNQCLSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000595838710 347364591 /nfs/dbraw/zinc/36/45/91/347364591.db2.gz DMWOUYZYWTZRPT-AWEZNQCLSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000595839845 347365488 /nfs/dbraw/zinc/36/54/88/347365488.db2.gz MJXSZURHVRURKK-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000595839845 347365491 /nfs/dbraw/zinc/36/54/91/347365491.db2.gz MJXSZURHVRURKK-MRXNPFEDSA-N 1 2 269.323 3.109 20 30 CGEDLO Cc1cc(N2CCC([C@@H]3CCCCO3)CC2)c(C#N)c[nH+]1 ZINC000596496782 347468250 /nfs/dbraw/zinc/46/82/50/347468250.db2.gz HDPNWZVMIPSDJX-KRWDZBQOSA-N 1 2 285.391 3.047 20 30 CGEDLO Cc1cc(NC2CCC3(CC3(F)F)CC2)c(C#N)c[nH+]1 ZINC000596501200 347469400 /nfs/dbraw/zinc/46/94/00/347469400.db2.gz LDKNEIYUCUXAAX-UHFFFAOYSA-N 1 2 277.318 3.064 20 30 CGEDLO Cc1cc(N2CCC[C@@H](C3CCC3)C2)c(C#N)c[nH+]1 ZINC000596528314 347474979 /nfs/dbraw/zinc/47/49/79/347474979.db2.gz XSYOJNFTARIZHV-CQSZACIVSA-N 1 2 255.365 3.278 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2ccncc2s1 ZINC000597131228 347537921 /nfs/dbraw/zinc/53/79/21/347537921.db2.gz YQWSRODBFKTINR-UHFFFAOYSA-N 1 2 257.362 3.198 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2ccncc2s1 ZINC000597131228 347537924 /nfs/dbraw/zinc/53/79/24/347537924.db2.gz YQWSRODBFKTINR-UHFFFAOYSA-N 1 2 257.362 3.198 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000597229488 347558708 /nfs/dbraw/zinc/55/87/08/347558708.db2.gz BCCWVMQQTKUEGB-XYBNCVKDSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000597229488 347558711 /nfs/dbraw/zinc/55/87/11/347558711.db2.gz BCCWVMQQTKUEGB-XYBNCVKDSA-N 1 2 262.303 3.214 20 30 CGEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000598595019 347668568 /nfs/dbraw/zinc/66/85/68/347668568.db2.gz LOJKCJFMZZDCEE-CQSZACIVSA-N 1 2 296.361 3.054 20 30 CGEDLO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000598595019 347668570 /nfs/dbraw/zinc/66/85/70/347668570.db2.gz LOJKCJFMZZDCEE-CQSZACIVSA-N 1 2 296.361 3.054 20 30 CGEDLO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC#N ZINC000599651242 347762522 /nfs/dbraw/zinc/76/25/22/347762522.db2.gz FAFAJVPUPSHVPU-CMPLNLGQSA-N 1 2 279.181 3.150 20 30 CGEDLO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC#N ZINC000599651242 347762524 /nfs/dbraw/zinc/76/25/24/347762524.db2.gz FAFAJVPUPSHVPU-CMPLNLGQSA-N 1 2 279.181 3.150 20 30 CGEDLO CC[N@H+](Cc1nc(C)c(C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600108524 347780496 /nfs/dbraw/zinc/78/04/96/347780496.db2.gz YWRGMCMUNWCBEU-AWEZNQCLSA-N 1 2 282.391 3.481 20 30 CGEDLO CC[N@@H+](Cc1nc(C)c(C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600108524 347780498 /nfs/dbraw/zinc/78/04/98/347780498.db2.gz YWRGMCMUNWCBEU-AWEZNQCLSA-N 1 2 282.391 3.481 20 30 CGEDLO CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600108524 347780502 /nfs/dbraw/zinc/78/05/02/347780502.db2.gz YWRGMCMUNWCBEU-AWEZNQCLSA-N 1 2 282.391 3.481 20 30 CGEDLO Cc1cc(C)c(C#N)c(SCc2ccc(N(C)C)[nH+]c2)n1 ZINC000600511938 347803164 /nfs/dbraw/zinc/80/31/64/347803164.db2.gz ZQVWRDXZUMQDBB-UHFFFAOYSA-N 1 2 298.415 3.323 20 30 CGEDLO Cc1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)o1 ZINC000600140905 347784243 /nfs/dbraw/zinc/78/42/43/347784243.db2.gz BAECQYXJFRHFEI-OAHLLOKOSA-N 1 2 255.321 3.118 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc3ccccc3n2)CCCCC1 ZINC000600181794 347790019 /nfs/dbraw/zinc/79/00/19/347790019.db2.gz YSDVIFJJXCTUIE-UHFFFAOYSA-N 1 2 280.375 3.193 20 30 CGEDLO C=CCCOCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601676871 347904415 /nfs/dbraw/zinc/90/44/15/347904415.db2.gz SFEINIXAMZJUDD-UHFFFAOYSA-N 1 2 298.342 3.405 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@H+](C)CC2(CC#N)CC2)cs1 ZINC000602784500 348028357 /nfs/dbraw/zinc/02/83/57/348028357.db2.gz RLNDURPOFOYJAI-LBPRGKRZSA-N 1 2 293.436 3.366 20 30 CGEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CC2(CC#N)CC2)cs1 ZINC000602784500 348028359 /nfs/dbraw/zinc/02/83/59/348028359.db2.gz RLNDURPOFOYJAI-LBPRGKRZSA-N 1 2 293.436 3.366 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000602678457 348007400 /nfs/dbraw/zinc/00/74/00/348007400.db2.gz WXASQVSFOXFLOR-AWEZNQCLSA-N 1 2 267.376 3.397 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000602678457 348007401 /nfs/dbraw/zinc/00/74/01/348007401.db2.gz WXASQVSFOXFLOR-AWEZNQCLSA-N 1 2 267.376 3.397 20 30 CGEDLO Cc1ncc([C@H](C)[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)n1 ZINC000602706183 348013416 /nfs/dbraw/zinc/01/34/16/348013416.db2.gz BLEJKEMZUJGQIG-LBPRGKRZSA-N 1 2 278.359 3.042 20 30 CGEDLO Cc1ncc([C@H](C)[N@H+]2Cc3ccc(C#N)cc3C2)c(C)n1 ZINC000602706183 348013418 /nfs/dbraw/zinc/01/34/18/348013418.db2.gz BLEJKEMZUJGQIG-LBPRGKRZSA-N 1 2 278.359 3.042 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(=O)OC ZINC000602734504 348021176 /nfs/dbraw/zinc/02/11/76/348021176.db2.gz OPLSAFUZMLIYOX-UYSNPLJNSA-N 1 2 273.376 3.030 20 30 CGEDLO COCc1cc(C#N)ccc1NCCCc1cccc(C)[nH+]1 ZINC000603376102 348075223 /nfs/dbraw/zinc/07/52/23/348075223.db2.gz UTGJAYJGYLXHSQ-UHFFFAOYSA-N 1 2 295.386 3.453 20 30 CGEDLO Cc1c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976444 348048532 /nfs/dbraw/zinc/04/85/32/348048532.db2.gz PTSYMNNQCQLTEX-DOMZBBRYSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cccc1[N+](=O)[O-] ZINC000602976444 348048534 /nfs/dbraw/zinc/04/85/34/348048534.db2.gz PTSYMNNQCQLTEX-DOMZBBRYSA-N 1 2 273.336 3.027 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980619 348050165 /nfs/dbraw/zinc/05/01/65/348050165.db2.gz SJBOPUOHIYAKGH-GOEBONIOSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980619 348050168 /nfs/dbraw/zinc/05/01/68/348050168.db2.gz SJBOPUOHIYAKGH-GOEBONIOSA-N 1 2 272.779 3.316 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000609486313 348345325 /nfs/dbraw/zinc/34/53/25/348345325.db2.gz IDIHFFXUCBWZAQ-MRXNPFEDSA-N 1 2 291.826 3.006 20 30 CGEDLO CCC[N@@H+](CC#N)CCCOc1cc(C)cc(C)c1 ZINC000609806783 348353968 /nfs/dbraw/zinc/35/39/68/348353968.db2.gz QRYXZCYIRIGZNX-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO CCC[N@H+](CC#N)CCCOc1cc(C)cc(C)c1 ZINC000609806783 348353971 /nfs/dbraw/zinc/35/39/71/348353971.db2.gz QRYXZCYIRIGZNX-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000610091358 348363291 /nfs/dbraw/zinc/36/32/91/348363291.db2.gz LMRBQUIJJPISHP-AWEZNQCLSA-N 1 2 288.391 3.088 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000610091358 348363293 /nfs/dbraw/zinc/36/32/93/348363293.db2.gz LMRBQUIJJPISHP-AWEZNQCLSA-N 1 2 288.391 3.088 20 30 CGEDLO COC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000611433045 348451779 /nfs/dbraw/zinc/45/17/79/348451779.db2.gz VQZOSKDJJDWGNH-ZDUSSCGKSA-N 1 2 298.308 3.286 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000612405616 348516837 /nfs/dbraw/zinc/51/68/37/348516837.db2.gz BHXSMTSZRMDDQZ-SFHVURJKSA-N 1 2 297.402 3.495 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000612405616 348516839 /nfs/dbraw/zinc/51/68/39/348516839.db2.gz BHXSMTSZRMDDQZ-SFHVURJKSA-N 1 2 297.402 3.495 20 30 CGEDLO COc1ccccc1/C=C/C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406335 348517701 /nfs/dbraw/zinc/51/77/01/348517701.db2.gz KFVUNWVNTXORRT-ZGRWHYIRSA-N 1 2 270.376 3.334 20 30 CGEDLO COc1ccccc1/C=C/C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406335 348517704 /nfs/dbraw/zinc/51/77/04/348517704.db2.gz KFVUNWVNTXORRT-ZGRWHYIRSA-N 1 2 270.376 3.334 20 30 CGEDLO C=CC[N@@H+](CC(=O)NCCCCC)Cc1ccccc1F ZINC000615354086 348733603 /nfs/dbraw/zinc/73/36/03/348733603.db2.gz ZSVBMIDKEGQQSZ-UHFFFAOYSA-N 1 2 292.398 3.120 20 30 CGEDLO C=CC[N@H+](CC(=O)NCCCCC)Cc1ccccc1F ZINC000615354086 348733608 /nfs/dbraw/zinc/73/36/08/348733608.db2.gz ZSVBMIDKEGQQSZ-UHFFFAOYSA-N 1 2 292.398 3.120 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000615649818 348755001 /nfs/dbraw/zinc/75/50/01/348755001.db2.gz CRNSYVVOCLVNFE-YESZJQIVSA-N 1 2 272.367 3.434 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000615649818 348755006 /nfs/dbraw/zinc/75/50/06/348755006.db2.gz CRNSYVVOCLVNFE-YESZJQIVSA-N 1 2 272.367 3.434 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C/c2ncccc2C#N)c[nH+]1 ZINC000352009239 219289016 /nfs/dbraw/zinc/28/90/16/219289016.db2.gz VUOLLYBIOHICBL-SOFGYWHQSA-N 1 2 278.359 3.363 20 30 CGEDLO CC(C)(C)OCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000618316874 349068936 /nfs/dbraw/zinc/06/89/36/349068936.db2.gz VQOSKIJOIMYJTG-CYBMUJFWSA-N 1 2 252.402 3.206 20 30 CGEDLO CC(C)(C)OCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000618316874 349068937 /nfs/dbraw/zinc/06/89/37/349068937.db2.gz VQOSKIJOIMYJTG-CYBMUJFWSA-N 1 2 252.402 3.206 20 30 CGEDLO C=C[C@@H]([NH2+][C@H](C)CCC1CCCCC1)C(=O)OC ZINC000619701394 349276602 /nfs/dbraw/zinc/27/66/02/349276602.db2.gz HFVKSBFJIPJXKC-TZMCWYRMSA-N 1 2 253.386 3.053 20 30 CGEDLO C=C[C@H]([NH2+][C@@H](CCC)CCc1ccccc1)C(=O)OC ZINC000619702077 349276651 /nfs/dbraw/zinc/27/66/51/349276651.db2.gz FMTYJVJMXSTZNI-HOTGVXAUSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000619704258 349277189 /nfs/dbraw/zinc/27/71/89/349277189.db2.gz ZZOQBARPSFTBDC-CVEARBPZSA-N 1 2 289.350 3.079 20 30 CGEDLO C=CC[C@H]1CC[N@@H+](Cc2ncc(Br)s2)C1 ZINC000625704456 350200491 /nfs/dbraw/zinc/20/04/91/350200491.db2.gz XZHFEVZMDXFBAJ-VIFPVBQESA-N 1 2 287.226 3.304 20 30 CGEDLO C=CC[C@H]1CC[N@H+](Cc2ncc(Br)s2)C1 ZINC000625704456 350200494 /nfs/dbraw/zinc/20/04/94/350200494.db2.gz XZHFEVZMDXFBAJ-VIFPVBQESA-N 1 2 287.226 3.304 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000626559628 350318824 /nfs/dbraw/zinc/31/88/24/350318824.db2.gz JCUULBREIOSDQF-ZDUSSCGKSA-N 1 2 259.353 3.128 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630571166 350853562 /nfs/dbraw/zinc/85/35/62/350853562.db2.gz JLEUWGBNNWLPDC-UHFFFAOYSA-N 1 2 267.332 3.372 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000633672106 351343537 /nfs/dbraw/zinc/34/35/37/351343537.db2.gz LCEXVVFYDWVCLK-CYBMUJFWSA-N 1 2 281.359 3.115 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1nc(CCCC)no1)c1ccccc1 ZINC000271664847 191266516 /nfs/dbraw/zinc/26/65/16/191266516.db2.gz FCGCLMOJZSLZBC-HNNXBMFYSA-N 1 2 283.375 3.266 20 30 CGEDLO Cc1cccc(NC(=O)C[N@H+](C)CCC(C)(C)C#N)c1C ZINC000157570498 188324919 /nfs/dbraw/zinc/32/49/19/188324919.db2.gz SYRBGEKCMIVHRF-UHFFFAOYSA-N 1 2 287.407 3.114 20 30 CGEDLO Cc1cccc(NC(=O)C[N@@H+](C)CCC(C)(C)C#N)c1C ZINC000157570498 188324921 /nfs/dbraw/zinc/32/49/21/188324921.db2.gz SYRBGEKCMIVHRF-UHFFFAOYSA-N 1 2 287.407 3.114 20 30 CGEDLO C[C@@H]1C[N@H+](CCSc2cccc(Cl)c2C#N)CCO1 ZINC000412998611 235238477 /nfs/dbraw/zinc/23/84/77/235238477.db2.gz JMBYYDUDLHCTOJ-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2C#N)CCO1 ZINC000412998611 235238479 /nfs/dbraw/zinc/23/84/79/235238479.db2.gz JMBYYDUDLHCTOJ-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO COC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428311715 236392338 /nfs/dbraw/zinc/39/23/38/236392338.db2.gz CMXXASJTDKWIKK-QGZVFWFLSA-N 1 2 284.334 3.175 20 30 CGEDLO COC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(C)o1 ZINC000428317939 236392864 /nfs/dbraw/zinc/39/28/64/236392864.db2.gz JHJQASHIYGQZJQ-HNNXBMFYSA-N 1 2 288.322 3.076 20 30 CGEDLO Cc1cc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1C#N ZINC000336208852 213030602 /nfs/dbraw/zinc/03/06/02/213030602.db2.gz RZQAGIGIRGDNPW-INIZCTEOSA-N 1 2 294.402 3.183 20 30 CGEDLO COc1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1C#N ZINC000341757517 216091268 /nfs/dbraw/zinc/09/12/68/216091268.db2.gz XTCNWZBBCSCLPL-UHFFFAOYSA-N 1 2 294.345 3.434 20 30 CGEDLO COc1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1C#N ZINC000341757517 216091270 /nfs/dbraw/zinc/09/12/70/216091270.db2.gz XTCNWZBBCSCLPL-UHFFFAOYSA-N 1 2 294.345 3.434 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000177025735 189021926 /nfs/dbraw/zinc/02/19/26/189021926.db2.gz NHTXAKYWMHOJIC-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000177025735 189021927 /nfs/dbraw/zinc/02/19/27/189021927.db2.gz NHTXAKYWMHOJIC-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO Cc1cn2cc(NC(=O)c3ccc(C#N)cc3C)ccc2[nH+]1 ZINC000438913372 238216600 /nfs/dbraw/zinc/21/66/00/238216600.db2.gz SIPIQPCZIHEQAG-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO Cc1nc(N(C)Cc2cccc(C#N)c2)c2c([nH+]1)CCCC2 ZINC000302044142 201316326 /nfs/dbraw/zinc/31/63/26/201316326.db2.gz JPOUYMQXHCAGFI-UHFFFAOYSA-N 1 2 292.386 3.172 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](CC3=CCCCC3)CCO2)c1 ZINC000450656025 240020527 /nfs/dbraw/zinc/02/05/27/240020527.db2.gz ZQWQHGBVQCBPRK-GOSISDBHSA-N 1 2 282.387 3.432 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](CC3=CCCCC3)CCO2)c1 ZINC000450656025 240020531 /nfs/dbraw/zinc/02/05/31/240020531.db2.gz ZQWQHGBVQCBPRK-GOSISDBHSA-N 1 2 282.387 3.432 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451118106 240220741 /nfs/dbraw/zinc/22/07/41/240220741.db2.gz WZKMAYXUXMQNKT-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451118106 240220745 /nfs/dbraw/zinc/22/07/45/240220745.db2.gz WZKMAYXUXMQNKT-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000121510149 370866979 /nfs/dbraw/zinc/86/69/79/370866979.db2.gz MWVBDKSSNKJZFW-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000121510149 370866984 /nfs/dbraw/zinc/86/69/84/370866984.db2.gz MWVBDKSSNKJZFW-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000011200437 368588952 /nfs/dbraw/zinc/58/89/52/368588952.db2.gz OYLIZMGEYCXJIW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000011200437 368588956 /nfs/dbraw/zinc/58/89/56/368588956.db2.gz OYLIZMGEYCXJIW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(C)s1)Cc1ccc(F)cc1 ZINC000126219982 370944345 /nfs/dbraw/zinc/94/43/45/370944345.db2.gz ZDUBVOUEKKDJSQ-UHFFFAOYSA-N 1 2 274.364 3.226 20 30 CGEDLO C#CC[N@H+](Cc1cnc(C)s1)Cc1ccc(F)cc1 ZINC000126219982 370944347 /nfs/dbraw/zinc/94/43/47/370944347.db2.gz ZDUBVOUEKKDJSQ-UHFFFAOYSA-N 1 2 274.364 3.226 20 30 CGEDLO Cc1ccnc(NCc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000343508738 216800395 /nfs/dbraw/zinc/80/03/95/216800395.db2.gz JMCWSPQQCGCTSJ-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C=CC[N@@H+](Cc1cnoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000128379273 370962011 /nfs/dbraw/zinc/96/20/11/370962011.db2.gz FLROVDJOYVEUBL-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=CC[N@H+](Cc1cnoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000128379273 370962016 /nfs/dbraw/zinc/96/20/16/370962016.db2.gz FLROVDJOYVEUBL-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066848484 369707432 /nfs/dbraw/zinc/70/74/32/369707432.db2.gz GYPZOFHUODREDF-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000066848484 369707434 /nfs/dbraw/zinc/70/74/34/369707434.db2.gz GYPZOFHUODREDF-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1cc(Cl)cc(Cl)c1 ZINC000083218327 370004061 /nfs/dbraw/zinc/00/40/61/370004061.db2.gz LGUYXABFKCUQEN-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C[N@H+](CCC#N)CCOc1cc(Cl)cc(Cl)c1 ZINC000083218327 370004066 /nfs/dbraw/zinc/00/40/66/370004066.db2.gz LGUYXABFKCUQEN-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092729386 370100260 /nfs/dbraw/zinc/10/02/60/370100260.db2.gz JIUAPAMPBYVGLG-QGZVFWFLSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092729386 370100264 /nfs/dbraw/zinc/10/02/64/370100264.db2.gz JIUAPAMPBYVGLG-QGZVFWFLSA-N 1 2 295.386 3.149 20 30 CGEDLO C=CCCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000102337774 370302888 /nfs/dbraw/zinc/30/28/88/370302888.db2.gz MUQXSASUSCRTHZ-UHFFFAOYSA-N 1 2 293.436 3.280 20 30 CGEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000103469489 370329632 /nfs/dbraw/zinc/32/96/32/370329632.db2.gz WMHCIGRTUAYGRQ-UHFFFAOYSA-N 1 2 295.386 3.404 20 30 CGEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000103469489 370329636 /nfs/dbraw/zinc/32/96/36/370329636.db2.gz WMHCIGRTUAYGRQ-UHFFFAOYSA-N 1 2 295.386 3.404 20 30 CGEDLO CC(C)([NH2+]Cc1ccccc1C#N)c1nccs1 ZINC000118848435 370628508 /nfs/dbraw/zinc/62/85/08/370628508.db2.gz CXGAHAANJZDIKA-UHFFFAOYSA-N 1 2 257.362 3.040 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1c(F)cccc1F ZINC000135154406 371395813 /nfs/dbraw/zinc/39/58/13/371395813.db2.gz GXEILOOVCZNGQE-VIFPVBQESA-N 1 2 262.259 3.280 20 30 CGEDLO C=CCOc1cccc(CNc2ccc(N(C)C)c[nH+]2)c1 ZINC000150913339 371548337 /nfs/dbraw/zinc/54/83/37/371548337.db2.gz NOKUBMAZQSAFGZ-UHFFFAOYSA-N 1 2 283.375 3.325 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000155406306 371927400 /nfs/dbraw/zinc/92/74/00/371927400.db2.gz ZDQCMGSWVXOQCH-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000155406306 371927410 /nfs/dbraw/zinc/92/74/10/371927410.db2.gz ZDQCMGSWVXOQCH-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157250745 372011915 /nfs/dbraw/zinc/01/19/15/372011915.db2.gz UYQHDHPEVRBJSW-GASCZTMLSA-N 1 2 293.455 3.038 20 30 CGEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157250745 372011924 /nfs/dbraw/zinc/01/19/24/372011924.db2.gz UYQHDHPEVRBJSW-GASCZTMLSA-N 1 2 293.455 3.038 20 30 CGEDLO C=CCC(C)(C)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000291997001 372179102 /nfs/dbraw/zinc/17/91/02/372179102.db2.gz XGDYTQFNZCMVQF-UHFFFAOYSA-N 1 2 295.346 3.171 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCc2sccc2C1 ZINC000428459246 372210000 /nfs/dbraw/zinc/21/00/00/372210000.db2.gz OSSDONRNEDLYHR-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCc2sccc2C1 ZINC000428459246 372210008 /nfs/dbraw/zinc/21/00/08/372210008.db2.gz OSSDONRNEDLYHR-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000428469848 372217544 /nfs/dbraw/zinc/21/75/44/372217544.db2.gz LGDUOVZOSUXBRP-NSHDSACASA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000428469848 372217549 /nfs/dbraw/zinc/21/75/49/372217549.db2.gz LGDUOVZOSUXBRP-NSHDSACASA-N 1 2 286.272 3.472 20 30 CGEDLO C=CCC(C)(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000292552496 372197146 /nfs/dbraw/zinc/19/71/46/372197146.db2.gz XHQFZRZPYYPEFA-UHFFFAOYSA-N 1 2 285.391 3.063 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1cc(C)ccc1C ZINC000428836140 372266848 /nfs/dbraw/zinc/26/68/48/372266848.db2.gz BBVFNBHEFQRHGO-UHFFFAOYSA-N 1 2 258.365 3.084 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1cc(C)ccc1C ZINC000428836140 372266854 /nfs/dbraw/zinc/26/68/54/372266854.db2.gz BBVFNBHEFQRHGO-UHFFFAOYSA-N 1 2 258.365 3.084 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000430092804 372382883 /nfs/dbraw/zinc/38/28/83/372382883.db2.gz BOIIRZPJUFBWEF-UHFFFAOYSA-N 1 2 272.377 3.040 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000430092804 372382887 /nfs/dbraw/zinc/38/28/87/372382887.db2.gz BOIIRZPJUFBWEF-UHFFFAOYSA-N 1 2 272.377 3.040 20 30 CGEDLO CC(C)n1cc[nH+]c1CN(CCC#N)CC(C)(C)C ZINC000171946648 372864018 /nfs/dbraw/zinc/86/40/18/372864018.db2.gz SCLQRBBBPZTPTH-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO C[C@H]1CSCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441151246 372997607 /nfs/dbraw/zinc/99/76/07/372997607.db2.gz HHTOWNSNLRKBRB-LBPRGKRZSA-N 1 2 265.809 3.129 20 30 CGEDLO C[C@H]1CSCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441151246 372997615 /nfs/dbraw/zinc/99/76/15/372997615.db2.gz HHTOWNSNLRKBRB-LBPRGKRZSA-N 1 2 265.809 3.129 20 30 CGEDLO Oc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1Cl)CC2 ZINC000441269726 373000677 /nfs/dbraw/zinc/00/06/77/373000677.db2.gz ZKUZZDIQMURZSI-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO Oc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1Cl)CC2 ZINC000441269726 373000683 /nfs/dbraw/zinc/00/06/83/373000683.db2.gz ZKUZZDIQMURZSI-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO C=C(Cl)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000298683510 373382115 /nfs/dbraw/zinc/38/21/15/373382115.db2.gz ZBGMZXSQVLEOME-LBPRGKRZSA-N 1 2 253.777 3.183 20 30 CGEDLO CC(C)(C)[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000447851886 373508586 /nfs/dbraw/zinc/50/85/86/373508586.db2.gz WGCBGNGYPBFHAN-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000447851886 373508592 /nfs/dbraw/zinc/50/85/92/373508592.db2.gz WGCBGNGYPBFHAN-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(-n2ccnc2)nc1 ZINC000177281656 373671852 /nfs/dbraw/zinc/67/18/52/373671852.db2.gz PZKNVVBEZONXBN-UHFFFAOYSA-N 1 2 297.406 3.029 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)nc1 ZINC000177281656 373671859 /nfs/dbraw/zinc/67/18/59/373671859.db2.gz PZKNVVBEZONXBN-UHFFFAOYSA-N 1 2 297.406 3.029 20 30 CGEDLO N#Cc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000301137293 373673538 /nfs/dbraw/zinc/67/35/38/373673538.db2.gz BWJNRADDYAPXDJ-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc2ncccc2c1)C(=O)OCC ZINC000449651826 373838570 /nfs/dbraw/zinc/83/85/70/373838570.db2.gz AGGCWKCAIIWCFE-QGZVFWFLSA-N 1 2 298.386 3.222 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2nc(C#N)cs2)cc1C ZINC000449763519 373891835 /nfs/dbraw/zinc/89/18/35/373891835.db2.gz SGRBQALZEVXSTO-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2nc(C#N)cs2)cc1C ZINC000449763519 373891844 /nfs/dbraw/zinc/89/18/44/373891844.db2.gz SGRBQALZEVXSTO-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H](C)c2nccs2)c1 ZINC000182169164 374229674 /nfs/dbraw/zinc/22/96/74/374229674.db2.gz DWCUENVPTGXHEM-YAFRSCOQSA-N 1 2 290.388 3.470 20 30 CGEDLO Cc1cnc([C@@H](C)C/[NH+]=C/c2ccccc2O)s1 ZINC000182171358 374229914 /nfs/dbraw/zinc/22/99/14/374229914.db2.gz KJUFHAVADKHDNK-CNOAHFENSA-N 1 2 260.362 3.380 20 30 CGEDLO O=c1[nH]c2ccccc2cc1C=[NH+]CC[C@@H]1CCCCO1 ZINC000182203657 374234514 /nfs/dbraw/zinc/23/45/14/374234514.db2.gz YTVSWZMLHTVALK-BRFSQIRFSA-N 1 2 284.359 3.319 20 30 CGEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328889276 374391087 /nfs/dbraw/zinc/39/10/87/374391087.db2.gz QRMXQCPZGRSNJK-ZDUSSCGKSA-N 1 2 291.395 3.129 20 30 CGEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328889276 374391095 /nfs/dbraw/zinc/39/10/95/374391095.db2.gz QRMXQCPZGRSNJK-ZDUSSCGKSA-N 1 2 291.395 3.129 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CCC(O)CC3)cc2)C1 ZINC000185725748 374724237 /nfs/dbraw/zinc/72/42/37/374724237.db2.gz JNINEZJPXNBSGT-ZBFHGGJFSA-N 1 2 299.418 3.142 20 30 CGEDLO N#C[C@@H]1CCC[C@H](Nc2ccc([NH+]3CCC(O)CC3)cc2)C1 ZINC000185725748 374724247 /nfs/dbraw/zinc/72/42/47/374724247.db2.gz JNINEZJPXNBSGT-ZBFHGGJFSA-N 1 2 299.418 3.142 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000187410457 375018804 /nfs/dbraw/zinc/01/88/04/375018804.db2.gz VEDLXYDIXIYKCJ-INIZCTEOSA-N 1 2 286.762 3.035 20 30 CGEDLO COc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000188279204 375190740 /nfs/dbraw/zinc/19/07/40/375190740.db2.gz LRLXRMWLYPZRPQ-UHFFFAOYSA-N 1 2 276.723 3.103 20 30 CGEDLO CO[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1C ZINC000189301070 375360888 /nfs/dbraw/zinc/36/08/88/375360888.db2.gz QLDBFNMWSONUIJ-NHYWBVRUSA-N 1 2 278.783 3.068 20 30 CGEDLO CO[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@H]1C ZINC000189301070 375360896 /nfs/dbraw/zinc/36/08/96/375360896.db2.gz QLDBFNMWSONUIJ-NHYWBVRUSA-N 1 2 278.783 3.068 20 30 CGEDLO C=CCC1(NC(=O)/C=C\c2[nH+]ccn2CC)CCCCC1 ZINC000492961285 375457917 /nfs/dbraw/zinc/45/79/17/375457917.db2.gz PFOLZPSWCYPSSF-HJWRWDBZSA-N 1 2 287.407 3.311 20 30 CGEDLO CC1(C)C[NH+](Cc2cc(C#N)ccc2F)CC(C)(C)O1 ZINC000189649065 375429228 /nfs/dbraw/zinc/42/92/28/375429228.db2.gz SDNJSSLWBQCFIF-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO COCC[C@@H]([NH2+][C@@H](C#N)C1CCCCC1)C(C)(C)C ZINC000509000194 375767136 /nfs/dbraw/zinc/76/71/36/375767136.db2.gz XOIUZOJSAUINPB-LSDHHAIUSA-N 1 2 266.429 3.500 20 30 CGEDLO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000336529090 375809398 /nfs/dbraw/zinc/80/93/98/375809398.db2.gz HJXNEHWSTMEWKS-UHFFFAOYSA-N 1 2 293.370 3.452 20 30 CGEDLO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)oc1C ZINC000336529090 375809402 /nfs/dbraw/zinc/80/94/02/375809402.db2.gz HJXNEHWSTMEWKS-UHFFFAOYSA-N 1 2 293.370 3.452 20 30 CGEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603562 375952051 /nfs/dbraw/zinc/95/20/51/375952051.db2.gz ATKPLRVATNEVTG-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000532603562 375952057 /nfs/dbraw/zinc/95/20/57/375952057.db2.gz ATKPLRVATNEVTG-CJNGLKHVSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000337180724 376119502 /nfs/dbraw/zinc/11/95/02/376119502.db2.gz MAMZPUCHAJPEMS-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000337180724 376119512 /nfs/dbraw/zinc/11/95/12/376119512.db2.gz MAMZPUCHAJPEMS-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000537318131 376162413 /nfs/dbraw/zinc/16/24/13/376162413.db2.gz KKDHNLHDIXQVLH-ZFWWWQNUSA-N 1 2 261.365 3.235 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000220906185 376211223 /nfs/dbraw/zinc/21/12/23/376211223.db2.gz LNWCKLFHUUENDC-RYUDHWBXSA-N 1 2 255.321 3.267 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)s1 ZINC000541785939 376483732 /nfs/dbraw/zinc/48/37/32/376483732.db2.gz PLYBOWBQWFSLOQ-MRXNPFEDSA-N 1 2 290.432 3.401 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)s1 ZINC000541785939 376483741 /nfs/dbraw/zinc/48/37/41/376483741.db2.gz PLYBOWBQWFSLOQ-MRXNPFEDSA-N 1 2 290.432 3.401 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC#N)C(C)C ZINC000542705105 376573379 /nfs/dbraw/zinc/57/33/79/376573379.db2.gz ONAAAGZERRPFQR-UHFFFAOYSA-N 1 2 261.325 3.027 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCC#N)C(C)C ZINC000542705105 376573386 /nfs/dbraw/zinc/57/33/86/376573386.db2.gz ONAAAGZERRPFQR-UHFFFAOYSA-N 1 2 261.325 3.027 20 30 CGEDLO N#Cc1cccc(CNc2[nH]c3cc(F)ccc3[nH+]2)c1 ZINC000236188755 376661694 /nfs/dbraw/zinc/66/16/94/376661694.db2.gz AWUBTFQUBCPPMY-UHFFFAOYSA-N 1 2 266.279 3.186 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000237587331 376750834 /nfs/dbraw/zinc/75/08/34/376750834.db2.gz BIUOXWMZKXVRMI-NSHDSACASA-N 1 2 284.363 3.090 20 30 CGEDLO Cc1cc(C)cc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545219791 376801214 /nfs/dbraw/zinc/80/12/14/376801214.db2.gz QOMYWWMDELQFPC-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000556860502 376892680 /nfs/dbraw/zinc/89/26/80/376892680.db2.gz JXRCSAOVYLDKRG-WKILWMFISA-N 1 2 299.418 3.115 20 30 CGEDLO CC1(C#N)CCC([NH2+]c2ccc(-n3ccnn3)cc2)CC1 ZINC000562515450 377321361 /nfs/dbraw/zinc/32/13/61/377321361.db2.gz XZPJQRJWWKNMRC-UHFFFAOYSA-N 1 2 281.363 3.152 20 30 CGEDLO N#Cc1cnc(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000562821566 377363998 /nfs/dbraw/zinc/36/39/98/377363998.db2.gz SPNGSDLKFKLKGI-XZVRFQMRSA-N 1 2 290.370 3.026 20 30 CGEDLO N#Cc1cnc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000562821566 377364005 /nfs/dbraw/zinc/36/40/05/377364005.db2.gz SPNGSDLKFKLKGI-XZVRFQMRSA-N 1 2 290.370 3.026 20 30 CGEDLO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000567513487 377507054 /nfs/dbraw/zinc/50/70/54/377507054.db2.gz ZMCDDCQCKDVWMD-HDJSIYSDSA-N 1 2 287.407 3.133 20 30 CGEDLO CC[N@H+](CCCNc1cc(C#N)cc(C)n1)c1ccccc1 ZINC000341354003 377524819 /nfs/dbraw/zinc/52/48/19/377524819.db2.gz DILFYXNVWHKOIW-UHFFFAOYSA-N 1 2 294.402 3.012 20 30 CGEDLO CC[N@@H+](CCCNc1cc(C#N)cc(C)n1)c1ccccc1 ZINC000341354003 377524822 /nfs/dbraw/zinc/52/48/22/377524822.db2.gz DILFYXNVWHKOIW-UHFFFAOYSA-N 1 2 294.402 3.012 20 30 CGEDLO COc1cc2ccccc2cc1C[NH2+]C[C@H](C)C#N ZINC000568956265 377525006 /nfs/dbraw/zinc/52/50/06/377525006.db2.gz JMTZSKDFSXLKLR-GFCCVEGCSA-N 1 2 254.333 3.098 20 30 CGEDLO CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000263676111 377949694 /nfs/dbraw/zinc/94/96/94/377949694.db2.gz IKGNRBIPNHZRJE-ZDUSSCGKSA-N 1 2 276.380 3.075 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC ZINC000263676111 377949700 /nfs/dbraw/zinc/94/97/00/377949700.db2.gz IKGNRBIPNHZRJE-ZDUSSCGKSA-N 1 2 276.380 3.075 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343366033 377960653 /nfs/dbraw/zinc/96/06/53/377960653.db2.gz NPKSVUUVRUDKTN-UHFFFAOYSA-N 1 2 296.374 3.033 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1Cl ZINC000343582406 378027969 /nfs/dbraw/zinc/02/79/69/378027969.db2.gz LCLUTACJYYWDGH-VIFPVBQESA-N 1 2 252.720 3.433 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000268564460 378075095 /nfs/dbraw/zinc/07/50/95/378075095.db2.gz PTLLCPXECSXLGO-XJKSGUPXSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000268564460 378075099 /nfs/dbraw/zinc/07/50/99/378075099.db2.gz PTLLCPXECSXLGO-XJKSGUPXSA-N 1 2 295.810 3.040 20 30 CGEDLO N#CCCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000345285455 378244003 /nfs/dbraw/zinc/24/40/03/378244003.db2.gz XNGYCOICCNNDKL-UHFFFAOYSA-N 1 2 296.330 3.299 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCO[C@@H](C)C2)c1O ZINC000271447327 378493625 /nfs/dbraw/zinc/49/36/25/378493625.db2.gz UBNBBLIQJUDMCW-JHBBZFSESA-N 1 2 277.364 3.025 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OCC(C)C ZINC000348568739 378995307 /nfs/dbraw/zinc/99/53/07/378995307.db2.gz DDOVESICTOZVGK-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCC(C)C ZINC000348568739 378995312 /nfs/dbraw/zinc/99/53/12/378995312.db2.gz DDOVESICTOZVGK-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347394388 218218870 /nfs/dbraw/zinc/21/88/70/218218870.db2.gz RMACQBKONIHDEZ-CQSZACIVSA-N 1 2 284.281 3.094 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000347394388 218218871 /nfs/dbraw/zinc/21/88/71/218218871.db2.gz RMACQBKONIHDEZ-CQSZACIVSA-N 1 2 284.281 3.094 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000277519904 379180243 /nfs/dbraw/zinc/18/02/43/379180243.db2.gz XINNHYKRGPQBOX-VXGBXAGGSA-N 1 2 283.379 3.041 20 30 CGEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C)cccc1C(C)C ZINC000266911274 190289696 /nfs/dbraw/zinc/28/96/96/190289696.db2.gz IWIZBHRJWMAZTM-UHFFFAOYSA-N 1 2 272.392 3.012 20 30 CGEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C)cccc1C(C)C ZINC000266911274 190289697 /nfs/dbraw/zinc/28/96/97/190289697.db2.gz IWIZBHRJWMAZTM-UHFFFAOYSA-N 1 2 272.392 3.012 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)c(F)c1 ZINC000377499140 379685243 /nfs/dbraw/zinc/68/52/43/379685243.db2.gz BXKMATLXKMHIEE-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)c(F)c1 ZINC000377499140 379685251 /nfs/dbraw/zinc/68/52/51/379685251.db2.gz BXKMATLXKMHIEE-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nnc(Cc2ccccc2C)o1 ZINC000351616726 379731709 /nfs/dbraw/zinc/73/17/09/379731709.db2.gz UVABSPWQSGREKK-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nnc(Cc2ccccc2C)o1 ZINC000351616726 379731714 /nfs/dbraw/zinc/73/17/14/379731714.db2.gz UVABSPWQSGREKK-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451414 379820681 /nfs/dbraw/zinc/82/06/81/379820681.db2.gz WQWBYKJKBVWDTB-LLVKDONJSA-N 1 2 273.311 3.216 20 30 CGEDLO COc1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1C#N ZINC000282386848 379908586 /nfs/dbraw/zinc/90/85/86/379908586.db2.gz QXJHWPGZCLXXQG-OAHLLOKOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)ccc1C#N ZINC000282386848 379908594 /nfs/dbraw/zinc/90/85/94/379908594.db2.gz QXJHWPGZCLXXQG-OAHLLOKOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)ccc1C#N ZINC000282386848 379908597 /nfs/dbraw/zinc/90/85/97/379908597.db2.gz QXJHWPGZCLXXQG-OAHLLOKOSA-N 1 2 296.374 3.017 20 30 CGEDLO Cc1ccc(CN(C)c2cc(C)[nH+]cc2C#N)cc1 ZINC000399478935 379941734 /nfs/dbraw/zinc/94/17/34/379941734.db2.gz XAWOEJMNLSYPHG-UHFFFAOYSA-N 1 2 251.333 3.207 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000352821946 379984139 /nfs/dbraw/zinc/98/41/39/379984139.db2.gz BWMOFLBLVKUPRS-MRVPVSSYSA-N 1 2 279.315 3.144 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1conc1Cc1ccccc1 ZINC000352916930 380037297 /nfs/dbraw/zinc/03/72/97/380037297.db2.gz UDZJEDOCHUDTKE-OAHLLOKOSA-N 1 2 269.348 3.047 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000411424620 380146761 /nfs/dbraw/zinc/14/67/61/380146761.db2.gz WPIPNDSDAAHWQS-GFCCVEGCSA-N 1 2 253.349 3.218 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000411424620 380146766 /nfs/dbraw/zinc/14/67/66/380146766.db2.gz WPIPNDSDAAHWQS-GFCCVEGCSA-N 1 2 253.349 3.218 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000356057658 380788518 /nfs/dbraw/zinc/78/85/18/380788518.db2.gz DYXNFFLXKUHFMD-ZDUSSCGKSA-N 1 2 298.308 3.188 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000356057658 380788525 /nfs/dbraw/zinc/78/85/25/380788525.db2.gz DYXNFFLXKUHFMD-ZDUSSCGKSA-N 1 2 298.308 3.188 20 30 CGEDLO COC1(C[N@H+](CCC#N)Cc2ccco2)CCCCC1 ZINC000361495659 381774440 /nfs/dbraw/zinc/77/44/40/381774440.db2.gz GUAROYGWFYIFQX-UHFFFAOYSA-N 1 2 276.380 3.345 20 30 CGEDLO COC1(C[N@@H+](CCC#N)Cc2ccco2)CCCCC1 ZINC000361495659 381774444 /nfs/dbraw/zinc/77/44/44/381774444.db2.gz GUAROYGWFYIFQX-UHFFFAOYSA-N 1 2 276.380 3.345 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000362299648 381935249 /nfs/dbraw/zinc/93/52/49/381935249.db2.gz IWIUPWRHKXQIFG-NSHDSACASA-N 1 2 291.782 3.206 20 30 CGEDLO Cc1cccc(-c2noc(C[NH+]3CCC(C)(C#N)CC3)n2)c1 ZINC000364745820 382276241 /nfs/dbraw/zinc/27/62/41/382276241.db2.gz HXROKOGLRAGDIR-UHFFFAOYSA-N 1 2 296.374 3.171 20 30 CGEDLO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ncc[nH]1 ZINC000286184399 542391837 /nfs/dbraw/zinc/39/18/37/542391837.db2.gz QNMTWSHJAYSNGL-LLVKDONJSA-N 1 2 293.292 3.131 20 30 CGEDLO Cc1cc(Br)c2c(c1)C[N@@H+](CCCC#N)CC2 ZINC000189237386 262169606 /nfs/dbraw/zinc/16/96/06/262169606.db2.gz OHXDNUSEMYBFHC-UHFFFAOYSA-N 1 2 293.208 3.419 20 30 CGEDLO Cc1cc(Br)c2c(c1)C[N@H+](CCCC#N)CC2 ZINC000189237386 262169609 /nfs/dbraw/zinc/16/96/09/262169609.db2.gz OHXDNUSEMYBFHC-UHFFFAOYSA-N 1 2 293.208 3.419 20 30 CGEDLO C=C(C)COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC ZINC000093091172 392234397 /nfs/dbraw/zinc/23/43/97/392234397.db2.gz YDRFJVNRFLLDCV-CQSZACIVSA-N 1 2 288.391 3.384 20 30 CGEDLO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC ZINC000093091172 392234401 /nfs/dbraw/zinc/23/44/01/392234401.db2.gz YDRFJVNRFLLDCV-CQSZACIVSA-N 1 2 288.391 3.384 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000093091282 392234662 /nfs/dbraw/zinc/23/46/62/392234662.db2.gz VOWAAFLQCXGSAA-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091282 392234666 /nfs/dbraw/zinc/23/46/66/392234666.db2.gz VOWAAFLQCXGSAA-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO C#CC[N@@H+](Cc1ccnn1C(C)C)Cc1ccccc1 ZINC000285571977 392326838 /nfs/dbraw/zinc/32/68/38/392326838.db2.gz HRPSHTAYSRVCEG-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO C#CC[N@H+](Cc1ccnn1C(C)C)Cc1ccccc1 ZINC000285571977 392326845 /nfs/dbraw/zinc/32/68/45/392326845.db2.gz HRPSHTAYSRVCEG-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000286066299 392370945 /nfs/dbraw/zinc/37/09/45/392370945.db2.gz JJUBSHJBDFIWQE-UHFFFAOYSA-N 1 2 287.338 3.028 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000286066299 392370950 /nfs/dbraw/zinc/37/09/50/392370950.db2.gz JJUBSHJBDFIWQE-UHFFFAOYSA-N 1 2 287.338 3.028 20 30 CGEDLO C=CC[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000289098491 392413579 /nfs/dbraw/zinc/41/35/79/392413579.db2.gz LVROPAXCTHBGSA-ZDUSSCGKSA-N 1 2 288.416 3.385 20 30 CGEDLO C=CC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000289098491 392413581 /nfs/dbraw/zinc/41/35/81/392413581.db2.gz LVROPAXCTHBGSA-ZDUSSCGKSA-N 1 2 288.416 3.385 20 30 CGEDLO C=C(C)C[C@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000289311897 392418504 /nfs/dbraw/zinc/41/85/04/392418504.db2.gz XNAWPFDIRGYDGC-BFHYXJOUSA-N 1 2 291.395 3.065 20 30 CGEDLO C=C(C)C[C@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000289311897 392418509 /nfs/dbraw/zinc/41/85/09/392418509.db2.gz XNAWPFDIRGYDGC-BFHYXJOUSA-N 1 2 291.395 3.065 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000121010663 392406708 /nfs/dbraw/zinc/40/67/08/392406708.db2.gz JYIDPAXPJIOHAA-GHMZBOCLSA-N 1 2 263.291 3.059 20 30 CGEDLO COCCOc1ccc([NH2+]CC(C)(C)CCC#N)cc1 ZINC000135158864 392472856 /nfs/dbraw/zinc/47/28/56/392472856.db2.gz NVAXHGMPZVZKQS-UHFFFAOYSA-N 1 2 276.380 3.454 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000136419289 392477770 /nfs/dbraw/zinc/47/77/70/392477770.db2.gz SBMXUVQHMKXYDL-JTQLQIEISA-N 1 2 264.756 3.009 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000136419289 392477775 /nfs/dbraw/zinc/47/77/75/392477775.db2.gz SBMXUVQHMKXYDL-JTQLQIEISA-N 1 2 264.756 3.009 20 30 CGEDLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000301894739 392600555 /nfs/dbraw/zinc/60/05/55/392600555.db2.gz SYYXOXMDWRYISG-LLVKDONJSA-N 1 2 289.342 3.257 20 30 CGEDLO N#Cc1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000336160003 392836756 /nfs/dbraw/zinc/83/67/56/392836756.db2.gz AKMYXJPZQXLBAQ-CQSZACIVSA-N 1 2 286.766 3.272 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000187710178 392792358 /nfs/dbraw/zinc/79/23/58/392792358.db2.gz OTIGPIRBKSAGPF-GUYCJALGSA-N 1 2 282.343 3.286 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000187710178 392792364 /nfs/dbraw/zinc/79/23/64/392792364.db2.gz OTIGPIRBKSAGPF-GUYCJALGSA-N 1 2 282.343 3.286 20 30 CGEDLO C=CCOCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000338924497 392935892 /nfs/dbraw/zinc/93/58/92/392935892.db2.gz JNIMXKJLOJZHST-NSHDSACASA-N 1 2 255.308 3.160 20 30 CGEDLO C=CCOCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000338924497 392935897 /nfs/dbraw/zinc/93/58/97/392935897.db2.gz JNIMXKJLOJZHST-NSHDSACASA-N 1 2 255.308 3.160 20 30 CGEDLO Cc1cc(N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(C#N)c[nH+]1 ZINC000528217645 392966196 /nfs/dbraw/zinc/96/61/96/392966196.db2.gz PGWQQEIDATXRMS-XOKHGSTOSA-N 1 2 295.773 3.087 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000351179886 393165636 /nfs/dbraw/zinc/16/56/36/393165636.db2.gz FNFTYDHPEHYQRW-NHYWBVRUSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000351179886 393165643 /nfs/dbraw/zinc/16/56/43/393165643.db2.gz FNFTYDHPEHYQRW-NHYWBVRUSA-N 1 2 280.318 3.030 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000348710894 393129055 /nfs/dbraw/zinc/12/90/55/393129055.db2.gz FCDWPDMUEYMEDR-UHFFFAOYSA-N 1 2 279.384 3.238 20 30 CGEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348708950 393129145 /nfs/dbraw/zinc/12/91/45/393129145.db2.gz AVUJBRUVGNDRDB-DGCLKSJQSA-N 1 2 262.328 3.231 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000355442698 393324830 /nfs/dbraw/zinc/32/48/30/393324830.db2.gz AKGPAWATVCPABD-CYBMUJFWSA-N 1 2 276.355 3.135 20 30 CGEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2Cl)C1=O ZINC000281921282 393370118 /nfs/dbraw/zinc/37/01/18/393370118.db2.gz HEINNHUHVVUDBC-IUODEOHRSA-N 1 2 292.810 3.120 20 30 CGEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2Cl)C1=O ZINC000281921282 393370127 /nfs/dbraw/zinc/37/01/27/393370127.db2.gz HEINNHUHVVUDBC-IUODEOHRSA-N 1 2 292.810 3.120 20 30 CGEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356192280 393376396 /nfs/dbraw/zinc/37/63/96/393376396.db2.gz KKHPEXUGDPBDGM-VIFPVBQESA-N 1 2 292.433 3.281 20 30 CGEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356192280 393376400 /nfs/dbraw/zinc/37/64/00/393376400.db2.gz KKHPEXUGDPBDGM-VIFPVBQESA-N 1 2 292.433 3.281 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428954910 393466216 /nfs/dbraw/zinc/46/62/16/393466216.db2.gz MNHAHZQGBSNWFG-JOYOIKCWSA-N 1 2 286.272 3.470 20 30 CGEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428954910 393466226 /nfs/dbraw/zinc/46/62/26/393466226.db2.gz MNHAHZQGBSNWFG-JOYOIKCWSA-N 1 2 286.272 3.470 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000430034291 393513074 /nfs/dbraw/zinc/51/30/74/393513074.db2.gz MWQHLLGEEFZVPX-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO Cc1cc(N2CC[C@H](C3CCCC3)C2)c(C#N)c[nH+]1 ZINC000425271970 393690642 /nfs/dbraw/zinc/69/06/42/393690642.db2.gz VWRDBBSZGWVQEX-AWEZNQCLSA-N 1 2 255.365 3.278 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccn1C)c1ccc(Cl)cc1F ZINC000491525218 393695443 /nfs/dbraw/zinc/69/54/43/393695443.db2.gz QUPHXAVCNINYRL-HNNXBMFYSA-N 1 2 276.742 3.282 20 30 CGEDLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453191455 394200593 /nfs/dbraw/zinc/20/05/93/394200593.db2.gz INMOYNHZKQCIMF-RYUDHWBXSA-N 1 2 286.354 3.326 20 30 CGEDLO C=CC1CCN(C(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000667950580 542948336 /nfs/dbraw/zinc/94/83/36/542948336.db2.gz IXGBKKJNLZDXAL-UHFFFAOYSA-N 1 2 284.363 3.073 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000678939097 543574380 /nfs/dbraw/zinc/57/43/80/543574380.db2.gz NLXHZMBQQAHPIK-AWEZNQCLSA-N 1 2 259.378 3.335 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000126974933 287277882 /nfs/dbraw/zinc/27/78/82/287277882.db2.gz UBECNSREMPENIJ-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000126974933 287277883 /nfs/dbraw/zinc/27/78/83/287277883.db2.gz UBECNSREMPENIJ-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000347454143 226161039 /nfs/dbraw/zinc/16/10/39/226161039.db2.gz CZHSOFUMLFMGNW-ZDUSSCGKSA-N 1 2 290.794 3.487 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000347454143 226161043 /nfs/dbraw/zinc/16/10/43/226161043.db2.gz CZHSOFUMLFMGNW-ZDUSSCGKSA-N 1 2 290.794 3.487 20 30 CGEDLO Cn1c[nH+]cc1CNc1cccc(C#Cc2ccccc2)c1 ZINC000347771044 226242810 /nfs/dbraw/zinc/24/28/10/226242810.db2.gz XWMPXVBDABAJQJ-UHFFFAOYSA-N 1 2 287.366 3.432 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000575174494 335075425 /nfs/dbraw/zinc/07/54/25/335075425.db2.gz GSOHYELICHGZHH-YJBOKZPZSA-N 1 2 290.370 3.204 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1 ZINC000653606351 419058111 /nfs/dbraw/zinc/05/81/11/419058111.db2.gz DNJLQMQVPQQAQQ-HNNXBMFYSA-N 1 2 299.422 3.225 20 30 CGEDLO C=CCC[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000660938741 419216751 /nfs/dbraw/zinc/21/67/51/419216751.db2.gz PMWZNQZEBWMGGM-MRXNPFEDSA-N 1 2 298.390 3.259 20 30 CGEDLO C=CCC[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000660938741 419216753 /nfs/dbraw/zinc/21/67/53/419216753.db2.gz PMWZNQZEBWMGGM-MRXNPFEDSA-N 1 2 298.390 3.259 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000331381673 228096762 /nfs/dbraw/zinc/09/67/62/228096762.db2.gz GUDVRTZPOGTATE-ZWNOBZJWSA-N 1 2 273.361 3.185 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2cccs2)on1 ZINC000331402427 228098057 /nfs/dbraw/zinc/09/80/57/228098057.db2.gz NCCBTZSKLNBZLD-JQWIXIFHSA-N 1 2 273.361 3.185 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000297962767 260139948 /nfs/dbraw/zinc/13/99/48/260139948.db2.gz UPNAKHSMEGHDKC-ZDUSSCGKSA-N 1 2 299.374 3.480 20 30 CGEDLO Cc1c(C[N@H+](CCC#N)CC2CC2)cccc1[N+](=O)[O-] ZINC000081043682 260329537 /nfs/dbraw/zinc/32/95/37/260329537.db2.gz QGQYJGZNXIERCM-UHFFFAOYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1c(C[N@@H+](CCC#N)CC2CC2)cccc1[N+](=O)[O-] ZINC000081043682 260329539 /nfs/dbraw/zinc/32/95/39/260329539.db2.gz QGQYJGZNXIERCM-UHFFFAOYSA-N 1 2 273.336 3.029 20 30 CGEDLO COc1ccc(CC[N@@H+]2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000444735464 261142133 /nfs/dbraw/zinc/14/21/33/261142133.db2.gz ULZYKJVUBFYLPV-MRXNPFEDSA-N 1 2 272.392 3.252 20 30 CGEDLO COc1ccc(CC[N@H+]2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000444735464 261142135 /nfs/dbraw/zinc/14/21/35/261142135.db2.gz ULZYKJVUBFYLPV-MRXNPFEDSA-N 1 2 272.392 3.252 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187851246 261785374 /nfs/dbraw/zinc/78/53/74/261785374.db2.gz QRRRJJPCVKVPHM-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187851246 261785375 /nfs/dbraw/zinc/78/53/75/261785375.db2.gz QRRRJJPCVKVPHM-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@](C)(O)c2ccccc2)c1 ZINC000189355568 262171054 /nfs/dbraw/zinc/17/10/54/262171054.db2.gz RZAKQEFRHOBOET-DYGKOUCMSA-N 1 2 299.370 3.118 20 30 CGEDLO C[N@H+](Cc1cc2c(cccc2F)[nH]1)CC(C)(C)C#N ZINC000354019132 262276721 /nfs/dbraw/zinc/27/67/21/262276721.db2.gz UQCUNMUTETXMCU-UHFFFAOYSA-N 1 2 259.328 3.289 20 30 CGEDLO C[N@@H+](Cc1cc2c(cccc2F)[nH]1)CC(C)(C)C#N ZINC000354019132 262276722 /nfs/dbraw/zinc/27/67/22/262276722.db2.gz UQCUNMUTETXMCU-UHFFFAOYSA-N 1 2 259.328 3.289 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160976158 262305307 /nfs/dbraw/zinc/30/53/07/262305307.db2.gz WJCXTMVINPCBSY-UHFFFAOYSA-N 1 2 295.386 3.257 20 30 CGEDLO CCc1c[nH+]ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000271971394 263000812 /nfs/dbraw/zinc/00/08/12/263000812.db2.gz NCAVQBOMJYWPIN-UHFFFAOYSA-N 1 2 291.354 3.451 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000273872051 263020172 /nfs/dbraw/zinc/02/01/72/263020172.db2.gz OVUHHUSOKXBUMI-ZDUSSCGKSA-N 1 2 264.756 3.057 20 30 CGEDLO N#CCC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)CC1CC1 ZINC000279696895 263056926 /nfs/dbraw/zinc/05/69/26/263056926.db2.gz RIUDPLMRHCVDPW-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CCC[N@H+](Cc1ccnn1-c1ccc(F)cc1)CC1CC1 ZINC000279696895 263056927 /nfs/dbraw/zinc/05/69/27/263056927.db2.gz RIUDPLMRHCVDPW-UHFFFAOYSA-N 1 2 298.365 3.137 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)Cc1nc(-c2cccs2)no1 ZINC000285219836 263091346 /nfs/dbraw/zinc/09/13/46/263091346.db2.gz FFZVJAIUNALWDD-UHFFFAOYSA-N 1 2 290.392 3.170 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nc(-c2cccs2)no1 ZINC000285219836 263091347 /nfs/dbraw/zinc/09/13/47/263091347.db2.gz FFZVJAIUNALWDD-UHFFFAOYSA-N 1 2 290.392 3.170 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/C[C@@H](CC)OC)c(O)c1 ZINC000290430230 263116555 /nfs/dbraw/zinc/11/65/55/263116555.db2.gz BPORLPPEMTWPQH-BVTUPMQUSA-N 1 2 265.353 3.025 20 30 CGEDLO COCC1(C/[NH+]=C/c2cccc(O)c2O)CCCCC1 ZINC000290610522 263117807 /nfs/dbraw/zinc/11/78/07/263117807.db2.gz SMYKLRRAGGMTOZ-LICLKQGHSA-N 1 2 277.364 3.114 20 30 CGEDLO Cn1c2ccc(NC(=O)CCCC#N)cc2[nH+]c1C1CC1 ZINC000291913411 263126661 /nfs/dbraw/zinc/12/66/61/263126661.db2.gz MOUAYTRINIEVMC-UHFFFAOYSA-N 1 2 282.347 3.083 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000292265175 263130298 /nfs/dbraw/zinc/13/02/98/263130298.db2.gz RRAZNAASSWYZHM-UHFFFAOYSA-N 1 2 298.342 3.121 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000292265175 263130299 /nfs/dbraw/zinc/13/02/99/263130299.db2.gz RRAZNAASSWYZHM-UHFFFAOYSA-N 1 2 298.342 3.121 20 30 CGEDLO CC(C)O[C@@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000292431999 263132224 /nfs/dbraw/zinc/13/22/24/263132224.db2.gz MELXHFDJGWDZNW-HOCLYGCPSA-N 1 2 260.381 3.244 20 30 CGEDLO CC(C)O[C@@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000292431999 263132225 /nfs/dbraw/zinc/13/22/25/263132225.db2.gz MELXHFDJGWDZNW-HOCLYGCPSA-N 1 2 260.381 3.244 20 30 CGEDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCC(C)(C)C#N ZINC000293318742 263139111 /nfs/dbraw/zinc/13/91/11/263139111.db2.gz VYUIQIXGTBRUEI-LLVKDONJSA-N 1 2 265.788 3.458 20 30 CGEDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCC(C)(C)C#N ZINC000293318742 263139112 /nfs/dbraw/zinc/13/91/12/263139112.db2.gz VYUIQIXGTBRUEI-LLVKDONJSA-N 1 2 265.788 3.458 20 30 CGEDLO Cc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(C)[nH+]1 ZINC000297903073 263211929 /nfs/dbraw/zinc/21/19/29/263211929.db2.gz YVAXSMLZAVBQFF-INIZCTEOSA-N 1 2 269.348 3.111 20 30 CGEDLO COc1ccc2[nH+]c(C)nc(NCC(C)(C)CCC#N)c2c1 ZINC000340894009 263312488 /nfs/dbraw/zinc/31/24/88/263312488.db2.gz JFLFNUPOSZQOPE-UHFFFAOYSA-N 1 2 298.390 3.111 20 30 CGEDLO CC#CCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000342186119 263396195 /nfs/dbraw/zinc/39/61/95/263396195.db2.gz LBMZQSJZOGKYBM-UHFFFAOYSA-N 1 2 267.332 3.004 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C(C)C ZINC000330973445 264100916 /nfs/dbraw/zinc/10/09/16/264100916.db2.gz IDHTUNKZJDUSHL-AWEZNQCLSA-N 1 2 292.427 3.074 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331343887 264196393 /nfs/dbraw/zinc/19/63/93/264196393.db2.gz LBUVXIBBNSQBIW-ZFWWWQNUSA-N 1 2 285.391 3.030 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)c(OC)c1 ZINC000343261861 264254629 /nfs/dbraw/zinc/25/46/29/264254629.db2.gz TYDOPUDQZGETIR-HNNXBMFYSA-N 1 2 286.375 3.144 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)c(OC)c1 ZINC000343261861 264254633 /nfs/dbraw/zinc/25/46/33/264254633.db2.gz TYDOPUDQZGETIR-HNNXBMFYSA-N 1 2 286.375 3.144 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286707435 264603039 /nfs/dbraw/zinc/60/30/39/264603039.db2.gz AJZXPVLABUFPEY-CHWSQXEVSA-N 1 2 277.368 3.024 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286707435 264603042 /nfs/dbraw/zinc/60/30/42/264603042.db2.gz AJZXPVLABUFPEY-CHWSQXEVSA-N 1 2 277.368 3.024 20 30 CGEDLO CC[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1[nH]cc[nH+]1 ZINC000356762156 266171643 /nfs/dbraw/zinc/17/16/43/266171643.db2.gz PCPLGOHZRLJVNR-CQSZACIVSA-N 1 2 296.374 3.092 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H](c2ccccn2)C2CCC2)n1 ZINC000527773525 270135228 /nfs/dbraw/zinc/13/52/28/270135228.db2.gz UAZLGPKMCICISL-HNNXBMFYSA-N 1 2 284.388 3.041 20 30 CGEDLO CC[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](C)C#N ZINC000120505001 267469379 /nfs/dbraw/zinc/46/93/79/267469379.db2.gz SDWREVDFYQQMJS-VIFPVBQESA-N 1 2 256.271 3.085 20 30 CGEDLO CC[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](C)C#N ZINC000120505001 267469387 /nfs/dbraw/zinc/46/93/87/267469387.db2.gz SDWREVDFYQQMJS-VIFPVBQESA-N 1 2 256.271 3.085 20 30 CGEDLO Cc1cccn2cc(COc3cc(F)cc(C#N)c3)[nH+]c12 ZINC000558077482 289471582 /nfs/dbraw/zinc/47/15/82/289471582.db2.gz YUNSJWUGOPTGRU-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO CC[N@@H+](Cc1ccc(SC)s1)C[C@@H](C)C#N ZINC000356080527 528795571 /nfs/dbraw/zinc/79/55/71/528795571.db2.gz DBNHWNSCGKHYQN-JTQLQIEISA-N 1 2 254.424 3.452 20 30 CGEDLO CC[N@H+](Cc1ccc(SC)s1)C[C@@H](C)C#N ZINC000356080527 528795576 /nfs/dbraw/zinc/79/55/76/528795576.db2.gz DBNHWNSCGKHYQN-JTQLQIEISA-N 1 2 254.424 3.452 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1OC1CCC1 ZINC000570882353 327630757 /nfs/dbraw/zinc/63/07/57/327630757.db2.gz ALFBPYBOHRWTCJ-CQSZACIVSA-N 1 2 283.375 3.151 20 30 CGEDLO Cc1cc(N2CCOCC2)ccc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185722581 327843034 /nfs/dbraw/zinc/84/30/34/327843034.db2.gz TVWBCTIAPTYFTI-HOTGVXAUSA-N 1 2 299.418 3.326 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](C)C[C@@H](C)C#N)cc2c1 ZINC000411232731 328080463 /nfs/dbraw/zinc/08/04/63/328080463.db2.gz ZHKCIWXYNWBDDX-ZDUSSCGKSA-N 1 2 253.349 3.135 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](C)C[C@@H](C)C#N)cc2c1 ZINC000411232731 328080464 /nfs/dbraw/zinc/08/04/64/328080464.db2.gz ZHKCIWXYNWBDDX-ZDUSSCGKSA-N 1 2 253.349 3.135 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCOCC1CC1 ZINC000264551740 328160245 /nfs/dbraw/zinc/16/02/45/328160245.db2.gz OPNHAIVOAQULKR-WOJGMQOQSA-N 1 2 269.344 3.391 20 30 CGEDLO C=CCCOCCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425596611 329135111 /nfs/dbraw/zinc/13/51/11/329135111.db2.gz NZZMXVWQXJDSHR-UHFFFAOYSA-N 1 2 276.380 3.400 20 30 CGEDLO C=CC1CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000111256726 328340697 /nfs/dbraw/zinc/34/06/97/328340697.db2.gz MKFKONWQCQUKBM-UHFFFAOYSA-N 1 2 296.773 3.316 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Br)cc1F ZINC000164688983 328433221 /nfs/dbraw/zinc/43/32/21/328433221.db2.gz PEOIVJBWOXDYSB-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO N#CCCC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527623160 330265871 /nfs/dbraw/zinc/26/58/71/330265871.db2.gz WQWROMLJVAEFEM-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO N#CCCC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527623160 330265872 /nfs/dbraw/zinc/26/58/72/330265872.db2.gz WQWROMLJVAEFEM-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C#N)CC1 ZINC000057872743 326868256 /nfs/dbraw/zinc/86/82/56/326868256.db2.gz VMRSOYZGXGEICS-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO N#C[C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000569541432 327195417 /nfs/dbraw/zinc/19/54/17/327195417.db2.gz SFKQHOBZVWALGB-ZIAGYGMSSA-N 1 2 270.380 3.176 20 30 CGEDLO CCc1ccc([C@H]2COCC[N@@H+]2CCC(C)(C)C#N)o1 ZINC000119933118 327296416 /nfs/dbraw/zinc/29/64/16/327296416.db2.gz YNXPGNGICGCUPZ-CQSZACIVSA-N 1 2 276.380 3.155 20 30 CGEDLO CCc1ccc([C@H]2COCC[N@H+]2CCC(C)(C)C#N)o1 ZINC000119933118 327296418 /nfs/dbraw/zinc/29/64/18/327296418.db2.gz YNXPGNGICGCUPZ-CQSZACIVSA-N 1 2 276.380 3.155 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000574701308 327366857 /nfs/dbraw/zinc/36/68/57/327366857.db2.gz XTLIEYBEWKJEOV-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000574701308 327366858 /nfs/dbraw/zinc/36/68/58/327366858.db2.gz XTLIEYBEWKJEOV-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)OCC ZINC000535904869 328646978 /nfs/dbraw/zinc/64/69/78/328646978.db2.gz KQJBQNVPJYDETL-MRXNPFEDSA-N 1 2 299.374 3.387 20 30 CGEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000377613002 329020273 /nfs/dbraw/zinc/02/02/73/329020273.db2.gz CQMQRRHFXXADGG-IRXDYDNUSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000377613002 329020274 /nfs/dbraw/zinc/02/02/74/329020274.db2.gz CQMQRRHFXXADGG-IRXDYDNUSA-N 1 2 294.402 3.000 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1Cl ZINC000179859052 329212664 /nfs/dbraw/zinc/21/26/64/329212664.db2.gz JCGYBOQOAYGHRH-GFCCVEGCSA-N 1 2 281.783 3.126 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1Cl ZINC000179859052 329212666 /nfs/dbraw/zinc/21/26/66/329212666.db2.gz JCGYBOQOAYGHRH-GFCCVEGCSA-N 1 2 281.783 3.126 20 30 CGEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000181285994 329229582 /nfs/dbraw/zinc/22/95/82/329229582.db2.gz LHNQEPABBVGVJI-UHFFFAOYSA-N 1 2 260.381 3.130 20 30 CGEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000181285994 329229583 /nfs/dbraw/zinc/22/95/83/329229583.db2.gz LHNQEPABBVGVJI-UHFFFAOYSA-N 1 2 260.381 3.130 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ccon1)c1ccc(F)c(F)c1 ZINC000187783447 329360795 /nfs/dbraw/zinc/36/07/95/329360795.db2.gz LTWDSWVAKXEXOQ-CQSZACIVSA-N 1 2 264.275 3.360 20 30 CGEDLO COc1cc(C[NH+]2CCC(C#N)CC2)cc(Cl)c1OC ZINC000123703724 329561769 /nfs/dbraw/zinc/56/17/69/329561769.db2.gz QHSFCAOVXNHARF-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000085940480 330492768 /nfs/dbraw/zinc/49/27/68/330492768.db2.gz OZQHNOOFCQEZPR-UHFFFAOYSA-N 1 2 272.392 3.297 20 30 CGEDLO C=CCC1(C(=O)Nc2c[nH+]ccc2OC)CCCC1 ZINC000449819288 330951306 /nfs/dbraw/zinc/95/13/06/330951306.db2.gz POAXVBRPESXTPE-UHFFFAOYSA-N 1 2 260.337 3.165 20 30 CGEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c2c(OC)cccc12 ZINC000450804681 331000393 /nfs/dbraw/zinc/00/03/93/331000393.db2.gz NIBMGDVFRXSUMO-CABCVRRESA-N 1 2 284.359 3.389 20 30 CGEDLO CC1(C#N)C[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000459593203 331289798 /nfs/dbraw/zinc/28/97/98/331289798.db2.gz NYJFPYXQMZKBES-RDJZCZTQSA-N 1 2 254.377 3.342 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000489421796 332051327 /nfs/dbraw/zinc/05/13/27/332051327.db2.gz DXMZKFGCDZUAPJ-GFCCVEGCSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000489421796 332051329 /nfs/dbraw/zinc/05/13/29/332051329.db2.gz DXMZKFGCDZUAPJ-GFCCVEGCSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000489446956 332052941 /nfs/dbraw/zinc/05/29/41/332052941.db2.gz HHDVLHRATMOWNB-ZIAGYGMSSA-N 1 2 293.411 3.344 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000489446956 332052942 /nfs/dbraw/zinc/05/29/42/332052942.db2.gz HHDVLHRATMOWNB-ZIAGYGMSSA-N 1 2 293.411 3.344 20 30 CGEDLO C#CC[N@@H+](Cc1ccnn1C(C)C)Cc1ccc(F)cc1 ZINC000490718899 332108874 /nfs/dbraw/zinc/10/88/74/332108874.db2.gz KOSYKPHWQGYFRX-UHFFFAOYSA-N 1 2 285.366 3.239 20 30 CGEDLO C#CC[N@H+](Cc1ccnn1C(C)C)Cc1ccc(F)cc1 ZINC000490718899 332108875 /nfs/dbraw/zinc/10/88/75/332108875.db2.gz KOSYKPHWQGYFRX-UHFFFAOYSA-N 1 2 285.366 3.239 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000491371960 332198910 /nfs/dbraw/zinc/19/89/10/332198910.db2.gz HCOUOOZAAHTMDA-NSHDSACASA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000491371960 332198911 /nfs/dbraw/zinc/19/89/11/332198911.db2.gz HCOUOOZAAHTMDA-NSHDSACASA-N 1 2 274.364 3.403 20 30 CGEDLO C#C[C@H](NCc1cc(OC)cc(C)[nH+]1)c1ccc(F)cc1 ZINC000491463445 332216313 /nfs/dbraw/zinc/21/63/13/332216313.db2.gz NBDMJLFWAWCJMM-KRWDZBQOSA-N 1 2 284.334 3.002 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(OC)cc(C)n1)c1ccc(F)cc1 ZINC000491463445 332216314 /nfs/dbraw/zinc/21/63/14/332216314.db2.gz NBDMJLFWAWCJMM-KRWDZBQOSA-N 1 2 284.334 3.002 20 30 CGEDLO C#C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000491623078 332247911 /nfs/dbraw/zinc/24/79/11/332247911.db2.gz HRRJFBWPYOHPCQ-IUODEOHRSA-N 1 2 254.308 3.246 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)C1CC1 ZINC000491667501 332275573 /nfs/dbraw/zinc/27/55/73/332275573.db2.gz XWFJAHRKQZZZDG-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)C1CC1 ZINC000491667501 332275574 /nfs/dbraw/zinc/27/55/74/332275574.db2.gz XWFJAHRKQZZZDG-UHFFFAOYSA-N 1 2 266.344 3.248 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576163609 335163120 /nfs/dbraw/zinc/16/31/20/335163120.db2.gz YAJRESZICBWFQO-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576163609 335163122 /nfs/dbraw/zinc/16/31/22/335163122.db2.gz YAJRESZICBWFQO-GFCCVEGCSA-N 1 2 296.330 3.054 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(OC(F)F)cc2)c1 ZINC000545927969 334007271 /nfs/dbraw/zinc/00/72/71/334007271.db2.gz VFUJODVQLNSCLG-UHFFFAOYSA-N 1 2 289.285 3.361 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)nc1 ZINC000576237513 335175709 /nfs/dbraw/zinc/17/57/09/335175709.db2.gz BAEGMCVKMWUFIM-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)nc1 ZINC000576237513 335175710 /nfs/dbraw/zinc/17/57/10/335175710.db2.gz BAEGMCVKMWUFIM-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c[nH]nc2-c2ccccc2)c1 ZINC000547340134 334081117 /nfs/dbraw/zinc/08/11/17/334081117.db2.gz AZYZBHSPBYBHGO-UHFFFAOYSA-N 1 2 289.342 3.150 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc3cccnc32)c1 ZINC000547341342 334081457 /nfs/dbraw/zinc/08/14/57/334081457.db2.gz JFFQQBRMWUXXJQ-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO C=CCCCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000576595760 335224338 /nfs/dbraw/zinc/22/43/38/335224338.db2.gz PNANBAGQNORNNL-UHFFFAOYSA-N 1 2 272.352 3.202 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000180824179 335625513 /nfs/dbraw/zinc/62/55/13/335625513.db2.gz OKHLYDVDHWNHKR-CQSZACIVSA-N 1 2 292.427 3.083 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000581079386 336005529 /nfs/dbraw/zinc/00/55/29/336005529.db2.gz DVRVVUQOOUADKC-LLVKDONJSA-N 1 2 261.350 3.185 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000425538040 534081786 /nfs/dbraw/zinc/08/17/86/534081786.db2.gz REGONKICBVCIIU-LBPRGKRZSA-N 1 2 297.406 3.167 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000425538040 534081793 /nfs/dbraw/zinc/08/17/93/534081793.db2.gz REGONKICBVCIIU-LBPRGKRZSA-N 1 2 297.406 3.167 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3ccc(F)c(C#N)c3)n2c1 ZINC000191842450 534521599 /nfs/dbraw/zinc/52/15/99/534521599.db2.gz AWFILZOFKHUDSP-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@H]3CCCOCC3)ccc2[nH+]1 ZINC000330273166 534516902 /nfs/dbraw/zinc/51/69/02/534516902.db2.gz YUBZBBVPRVKYRU-LBPRGKRZSA-N 1 2 273.336 3.047 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1C#N)CC2 ZINC000103141484 525538912 /nfs/dbraw/zinc/53/89/12/525538912.db2.gz SCWYVQLPLMNUSN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1C#N)CC2 ZINC000103141484 525538916 /nfs/dbraw/zinc/53/89/16/525538916.db2.gz SCWYVQLPLMNUSN-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)s1 ZINC000353670816 534871225 /nfs/dbraw/zinc/87/12/25/534871225.db2.gz VEOUTRSDTXRAIW-SNVBAGLBSA-N 1 2 291.807 3.202 20 30 CGEDLO CC(C)c1nc(N(C)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000106464248 534904789 /nfs/dbraw/zinc/90/47/89/534904789.db2.gz YALRYUUEVOKZQF-UHFFFAOYSA-N 1 2 266.348 3.108 20 30 CGEDLO C=C(CC)C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000347347491 526853097 /nfs/dbraw/zinc/85/30/97/526853097.db2.gz UIJJLOTVPSBAEU-UONOGXRCSA-N 1 2 291.395 3.414 20 30 CGEDLO C=C(CC)C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000347347491 526853100 /nfs/dbraw/zinc/85/31/00/526853100.db2.gz UIJJLOTVPSBAEU-UONOGXRCSA-N 1 2 291.395 3.414 20 30 CGEDLO C=CCCC1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000355825468 527091780 /nfs/dbraw/zinc/09/17/80/527091780.db2.gz JDSPXFLWDFFBQM-UHFFFAOYSA-N 1 2 283.375 3.005 20 30 CGEDLO CCC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356070356 528153461 /nfs/dbraw/zinc/15/34/61/528153461.db2.gz XOFYEXFRCQIDBL-UHFFFAOYSA-N 1 2 271.389 3.427 20 30 CGEDLO CCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356070356 528153467 /nfs/dbraw/zinc/15/34/67/528153467.db2.gz XOFYEXFRCQIDBL-UHFFFAOYSA-N 1 2 271.389 3.427 20 30 CGEDLO CCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OCC ZINC000352079563 528661130 /nfs/dbraw/zinc/66/11/30/528661130.db2.gz MAKXLIMFLVAQEF-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC ZINC000352079563 528661135 /nfs/dbraw/zinc/66/11/35/528661135.db2.gz MAKXLIMFLVAQEF-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1cccc(F)c1 ZINC000356051691 528882945 /nfs/dbraw/zinc/88/29/45/528882945.db2.gz GZCFMKIOFQTSRB-UHFFFAOYSA-N 1 2 275.352 3.176 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1cccc(F)c1 ZINC000356051691 528882949 /nfs/dbraw/zinc/88/29/49/528882949.db2.gz GZCFMKIOFQTSRB-UHFFFAOYSA-N 1 2 275.352 3.176 20 30 CGEDLO CCCCc1noc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000125250616 535126685 /nfs/dbraw/zinc/12/66/85/535126685.db2.gz TWFQOYOHDKWTQS-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCCc1noc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000125250616 535126691 /nfs/dbraw/zinc/12/66/91/535126691.db2.gz TWFQOYOHDKWTQS-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C)o1 ZINC000730148102 571951197 /nfs/dbraw/zinc/95/11/97/571951197.db2.gz OESBOGBWXQLZMS-UHFFFAOYSA-N 1 2 265.316 3.394 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(O)c(F)c1 ZINC000730147647 571951256 /nfs/dbraw/zinc/95/12/56/571951256.db2.gz HFUDNGKYFULLLG-UHFFFAOYSA-N 1 2 295.317 3.338 20 30 CGEDLO C=C1CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000382562195 572344825 /nfs/dbraw/zinc/34/48/25/572344825.db2.gz WSNIMPVMQGIXRH-UHFFFAOYSA-N 1 2 282.185 3.012 20 30 CGEDLO N#CC[N@@H+](Cc1c(O)ccc2ccncc21)C1CCCC1 ZINC000738253670 572368397 /nfs/dbraw/zinc/36/83/97/572368397.db2.gz CPZJUQLQUBGOSS-UHFFFAOYSA-N 1 2 281.359 3.209 20 30 CGEDLO N#CC[N@H+](Cc1c(O)ccc2ccncc21)C1CCCC1 ZINC000738253670 572368402 /nfs/dbraw/zinc/36/84/02/572368402.db2.gz CPZJUQLQUBGOSS-UHFFFAOYSA-N 1 2 281.359 3.209 20 30 CGEDLO CCCCCCCCCC[NH+]1CCS(=O)CC1 ZINC000740876743 572464980 /nfs/dbraw/zinc/46/49/80/572464980.db2.gz CQJJTPJGEJVRSJ-UHFFFAOYSA-N 1 2 259.459 3.191 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C/c2cc(OC)ccc2O)c1 ZINC000732926399 572493755 /nfs/dbraw/zinc/49/37/55/572493755.db2.gz OJPSVVPAGQKQOE-HCZVKUGISA-N 1 2 299.370 3.460 20 30 CGEDLO C#CCOc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000741529639 572508753 /nfs/dbraw/zinc/50/87/53/572508753.db2.gz HKJJFIHKVKKVHU-UHFFFAOYSA-N 1 2 294.354 3.271 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCSCc2ccccc2)c1O ZINC000743341117 572648525 /nfs/dbraw/zinc/64/85/25/572648525.db2.gz SEYBNIXFMAEXDM-BOPFTXTBSA-N 1 2 287.384 3.450 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(F)ccc1Br ZINC000746457092 572872249 /nfs/dbraw/zinc/87/22/49/572872249.db2.gz XCTOFPNIAIKIAU-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(F)ccc1Br ZINC000746457092 572872252 /nfs/dbraw/zinc/87/22/52/572872252.db2.gz XCTOFPNIAIKIAU-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC[C@@H](C/[NH+]=C\c1c(O)c(C)ncc1CO)c1ccccc1 ZINC000747712903 572942667 /nfs/dbraw/zinc/94/26/67/572942667.db2.gz KRYUGVVMCWFZTL-KVMVOAJRSA-N 1 2 298.386 3.201 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(Cc2ccccc2)n1 ZINC000749159539 572990064 /nfs/dbraw/zinc/99/00/64/572990064.db2.gz FJAIMCVOGHZBMT-UHFFFAOYSA-N 1 2 270.401 3.189 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(Cc2ccccc2)n1 ZINC000749159539 572990065 /nfs/dbraw/zinc/99/00/65/572990065.db2.gz FJAIMCVOGHZBMT-UHFFFAOYSA-N 1 2 270.401 3.189 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](CCC#N)C(C)C)c1 ZINC000876610925 634867802 /nfs/dbraw/zinc/86/78/02/634867802.db2.gz MQUIBVOYNICGCQ-UHFFFAOYSA-N 1 2 264.344 3.348 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000876610925 634867806 /nfs/dbraw/zinc/86/78/06/634867806.db2.gz MQUIBVOYNICGCQ-UHFFFAOYSA-N 1 2 264.344 3.348 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000951204506 613319667 /nfs/dbraw/zinc/31/96/67/613319667.db2.gz HLONTYSIGPIFQN-YJBOKZPZSA-N 1 2 292.467 3.169 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970380960 613372279 /nfs/dbraw/zinc/37/22/79/613372279.db2.gz RQMUAXJGJDDGPZ-STQMWFEESA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989232 613375797 /nfs/dbraw/zinc/37/57/97/613375797.db2.gz AFKYOIJMTOOLNN-BXUZGUMPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989232 613375798 /nfs/dbraw/zinc/37/57/98/613375798.db2.gz AFKYOIJMTOOLNN-BXUZGUMPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC000951165245 613710459 /nfs/dbraw/zinc/71/04/59/613710459.db2.gz AUYLZJMXTCANDI-KRWDZBQOSA-N 1 2 292.467 3.313 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)c2ccc(C)c3ccccc23)CC1 ZINC000950814038 613715796 /nfs/dbraw/zinc/71/57/96/613715796.db2.gz DJTULUMWUZHMBO-UHFFFAOYSA-N 1 2 294.398 3.092 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCCOCC2CC2)c1O ZINC000255337548 618209290 /nfs/dbraw/zinc/20/92/90/618209290.db2.gz VYBCKRXBYYCBCJ-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc2[nH]c(=O)oc21 ZINC000891937181 618394726 /nfs/dbraw/zinc/39/47/26/618394726.db2.gz AAWJASIAYPPREJ-UHFFFAOYSA-N 1 2 287.363 3.295 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc2[nH]c(=O)oc21 ZINC000891937181 618394736 /nfs/dbraw/zinc/39/47/36/618394736.db2.gz AAWJASIAYPPREJ-UHFFFAOYSA-N 1 2 287.363 3.295 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000309643913 618758473 /nfs/dbraw/zinc/75/84/73/618758473.db2.gz PPJDBQGBLBLYDX-LLVKDONJSA-N 1 2 258.148 3.253 20 30 CGEDLO C=CC[N@H+](C/C=C\Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000255717752 618779501 /nfs/dbraw/zinc/77/95/01/618779501.db2.gz HJQZIWNNNYXBAB-DAXSKMNVSA-N 1 2 266.728 3.335 20 30 CGEDLO C=CC[N@@H+](C/C=C\Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000255717752 618779503 /nfs/dbraw/zinc/77/95/03/618779503.db2.gz HJQZIWNNNYXBAB-DAXSKMNVSA-N 1 2 266.728 3.335 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)s1 ZINC000180321888 618874072 /nfs/dbraw/zinc/87/40/72/618874072.db2.gz RPZQNZPDYFLRON-GQCTYLIASA-N 1 2 279.324 3.164 20 30 CGEDLO CC1(CNN=Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000793085074 619678200 /nfs/dbraw/zinc/67/82/00/619678200.db2.gz XMSBAXVZFCSDQJ-UHFFFAOYSA-N 1 2 288.420 3.438 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c(F)c1 ZINC000178967922 619720611 /nfs/dbraw/zinc/72/06/11/619720611.db2.gz ZFQRWNUPLUYUEL-VMPITWQZSA-N 1 2 296.301 3.378 20 30 CGEDLO Cc1c(Cl)ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1Cl ZINC000895105675 619731846 /nfs/dbraw/zinc/73/18/46/619731846.db2.gz BPYOVSNRPPNSLW-CQSZACIVSA-N 1 2 299.201 3.152 20 30 CGEDLO Cc1c(Cl)ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c1Cl ZINC000895105675 619731850 /nfs/dbraw/zinc/73/18/50/619731850.db2.gz BPYOVSNRPPNSLW-CQSZACIVSA-N 1 2 299.201 3.152 20 30 CGEDLO N#Cc1c(F)cccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895356505 619812152 /nfs/dbraw/zinc/81/21/52/619812152.db2.gz WVTSFPKWWOHOBE-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000896502302 620018189 /nfs/dbraw/zinc/01/81/89/620018189.db2.gz WRBBRSNHURHPKD-LLVKDONJSA-N 1 2 257.362 3.032 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000896502302 620018190 /nfs/dbraw/zinc/01/81/90/620018190.db2.gz WRBBRSNHURHPKD-LLVKDONJSA-N 1 2 257.362 3.032 20 30 CGEDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896506298 620019333 /nfs/dbraw/zinc/01/93/33/620019333.db2.gz ROQWTPONERABGK-IMMZDGJCSA-N 1 2 269.392 3.001 20 30 CGEDLO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896506298 620019338 /nfs/dbraw/zinc/01/93/38/620019338.db2.gz ROQWTPONERABGK-IMMZDGJCSA-N 1 2 269.392 3.001 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H]2CCOC3(CCC3)C2)c1O ZINC000840707491 620089492 /nfs/dbraw/zinc/08/94/92/620089492.db2.gz PFQJCSDBKCMFHF-HTMJNSLASA-N 1 2 289.375 3.169 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC[C@H]2CCOC2)c1O ZINC000840708866 620097379 /nfs/dbraw/zinc/09/73/79/620097379.db2.gz FJHFXBUCSMCSKJ-HNEYUBDGSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)C(C)C)cc(Cl)n1 ZINC000321036408 620275044 /nfs/dbraw/zinc/27/50/44/620275044.db2.gz UWJKZFCYTAGYSU-UHFFFAOYSA-N 1 2 251.761 3.168 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)C(C)C)cc(Cl)n1 ZINC000321036408 620275045 /nfs/dbraw/zinc/27/50/45/620275045.db2.gz UWJKZFCYTAGYSU-UHFFFAOYSA-N 1 2 251.761 3.168 20 30 CGEDLO CCOc1cncc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624260 620411357 /nfs/dbraw/zinc/41/13/57/620411357.db2.gz FTDCDSMAKMJCRI-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO CCOc1cncc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624260 620411362 /nfs/dbraw/zinc/41/13/62/620411362.db2.gz FTDCDSMAKMJCRI-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@H]2CCC3(CCC3)O2)c1O ZINC000899227520 620626703 /nfs/dbraw/zinc/62/67/03/620626703.db2.gz MTKMBQNGOXFFKS-CRRKTRLDSA-N 1 2 289.375 3.312 20 30 CGEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1c[nH+]cn1C ZINC000901457356 620893985 /nfs/dbraw/zinc/89/39/85/620893985.db2.gz KBYVTVLLLOUJDU-VOTSOKGWSA-N 1 2 289.404 3.379 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)cc(C)c1 ZINC000901473365 620898170 /nfs/dbraw/zinc/89/81/70/620898170.db2.gz FTQMXIPNDGYLMQ-AATRIKPKSA-N 1 2 254.333 3.416 20 30 CGEDLO Cc1cc2c(cc1C)C(=O)/C(=C/c1c[nH+]cn1C)CS2 ZINC000901492200 620898970 /nfs/dbraw/zinc/89/89/70/620898970.db2.gz RASJOEYJCJSKFW-WUXMJOGZSA-N 1 2 284.384 3.409 20 30 CGEDLO COc1ccc(O)cc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901492604 620899349 /nfs/dbraw/zinc/89/93/49/620899349.db2.gz XUYFRQLIJIYQTL-GQCTYLIASA-N 1 2 286.331 3.074 20 30 CGEDLO Cc1c(C(=O)/C=C/c2c[nH+]cn2C(C)C)cnn1C(C)C ZINC000901495796 620900985 /nfs/dbraw/zinc/90/09/85/620900985.db2.gz OGQSYDWPHZLPCP-VOTSOKGWSA-N 1 2 286.379 3.446 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1c(C)cc(C)cc1O ZINC000901503410 620902879 /nfs/dbraw/zinc/90/28/79/620902879.db2.gz CSKAJZJMQJDSTK-AATRIKPKSA-N 1 2 270.332 3.122 20 30 CGEDLO C[C@@H]1C/C(=C\c2c[nH+]cn2C)C(=O)c2ccccc21 ZINC000901486479 620911536 /nfs/dbraw/zinc/91/15/36/620911536.db2.gz JACGUPKGGFNIQT-OYGDSYQHSA-N 1 2 252.317 3.194 20 30 CGEDLO CCCn1nc(C)c(C[N@H+](CCC#N)CC(C)C)c1C ZINC000768153426 625530410 /nfs/dbraw/zinc/53/04/10/625530410.db2.gz GGERXLIXIROEOY-UHFFFAOYSA-N 1 2 276.428 3.282 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+](CCC#N)CC(C)C)c1C ZINC000768153426 625530419 /nfs/dbraw/zinc/53/04/19/625530419.db2.gz GGERXLIXIROEOY-UHFFFAOYSA-N 1 2 276.428 3.282 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906588399 622250329 /nfs/dbraw/zinc/25/03/29/622250329.db2.gz QYUBIYSYPLVIDX-ARFHVFGLSA-N 1 2 258.340 3.307 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906588399 622250332 /nfs/dbraw/zinc/25/03/32/622250332.db2.gz QYUBIYSYPLVIDX-ARFHVFGLSA-N 1 2 258.340 3.307 20 30 CGEDLO C=CCC(C)(C)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778136 622504976 /nfs/dbraw/zinc/50/49/76/622504976.db2.gz TZBLNMKQHDTGPH-UHFFFAOYSA-N 1 2 298.430 3.076 20 30 CGEDLO C=CCC(C)(C)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778136 622504979 /nfs/dbraw/zinc/50/49/79/622504979.db2.gz TZBLNMKQHDTGPH-UHFFFAOYSA-N 1 2 298.430 3.076 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC3(CCCC3)C2)c1=S ZINC000173442308 623324865 /nfs/dbraw/zinc/32/48/65/623324865.db2.gz IKEIZPAYPHCOKQ-UHFFFAOYSA-N 1 2 292.452 3.132 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC3(CCCC3)C2)c1=S ZINC000173442308 623324870 /nfs/dbraw/zinc/32/48/70/623324870.db2.gz IKEIZPAYPHCOKQ-UHFFFAOYSA-N 1 2 292.452 3.132 20 30 CGEDLO N#CCC[N@H+](CCCc1cccnc1)Cc1ccco1 ZINC000929773695 623626188 /nfs/dbraw/zinc/62/61/88/623626188.db2.gz ACQOMJUMLWJWGF-UHFFFAOYSA-N 1 2 269.348 3.023 20 30 CGEDLO N#CCC[N@@H+](CCCc1cccnc1)Cc1ccco1 ZINC000929773695 623626192 /nfs/dbraw/zinc/62/61/92/623626192.db2.gz ACQOMJUMLWJWGF-UHFFFAOYSA-N 1 2 269.348 3.023 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@H](C)c2nccs2)c(O)c1 ZINC000753993008 623747311 /nfs/dbraw/zinc/74/73/11/623747311.db2.gz BYSJMPRKCUJGKK-OKHBPPCESA-N 1 2 290.388 3.470 20 30 CGEDLO N#Cc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000915961538 624090137 /nfs/dbraw/zinc/09/01/37/624090137.db2.gz GTZSBFKHPIMINH-UHFFFAOYSA-N 1 2 287.326 3.190 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174863132 624361992 /nfs/dbraw/zinc/36/19/92/624361992.db2.gz VZMJTZNEBXDKOC-UHFFFAOYSA-N 1 2 266.728 3.422 20 30 CGEDLO C#Cc1cccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000873893721 634489686 /nfs/dbraw/zinc/48/96/86/634489686.db2.gz MTAOLYUEGVUVRP-MRXNPFEDSA-N 1 2 281.359 3.090 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873958119 634498562 /nfs/dbraw/zinc/49/85/62/634498562.db2.gz CIHXHGFSMRCMPH-ZIAGYGMSSA-N 1 2 277.412 3.380 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873958119 634498566 /nfs/dbraw/zinc/49/85/66/634498566.db2.gz CIHXHGFSMRCMPH-ZIAGYGMSSA-N 1 2 277.412 3.380 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2c(C)cc(N)cc2C)nc1 ZINC000752735456 626436787 /nfs/dbraw/zinc/43/67/87/626436787.db2.gz VUJXJMSQZAKBGZ-UHFFFAOYSA-N 1 2 254.337 3.035 20 30 CGEDLO CC(=NOCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000753118987 626445879 /nfs/dbraw/zinc/44/58/79/626445879.db2.gz WCFLCECCIRYNRA-UHFFFAOYSA-N 1 2 269.304 3.107 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C[C@H](C)C#N)C3CC3)cc(=O)oc2c1 ZINC000754375274 626570124 /nfs/dbraw/zinc/57/01/24/626570124.db2.gz XUESQEPBZWVUOB-CYBMUJFWSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1ccc2c(C[N@H+](C[C@H](C)C#N)C3CC3)cc(=O)oc2c1 ZINC000754375274 626570127 /nfs/dbraw/zinc/57/01/27/626570127.db2.gz XUESQEPBZWVUOB-CYBMUJFWSA-N 1 2 296.370 3.226 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccc1 ZINC000756995821 626745633 /nfs/dbraw/zinc/74/56/33/626745633.db2.gz ARVCUXBEDKZBOC-INIZCTEOSA-N 1 2 266.344 3.406 20 30 CGEDLO CCOc1ccc(/C=N\Cc2ccn3cc[nH+]c3c2)c(O)c1 ZINC000761787231 627060896 /nfs/dbraw/zinc/06/08/96/627060896.db2.gz VCOBAKXVXZKMFZ-PDGQHHTCSA-N 1 2 295.342 3.058 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Br)c(F)c1 ZINC000767737954 627433749 /nfs/dbraw/zinc/43/37/49/627433749.db2.gz VHJYFECRCIZONL-ONEGZZNKSA-N 1 2 295.111 3.207 20 30 CGEDLO CC(=[NH+]Nc1cccc(C#N)c1)c1ccccc1N(C)C ZINC000769569985 627567249 /nfs/dbraw/zinc/56/72/49/627567249.db2.gz NKDCXRYVBJOXJC-UHFFFAOYSA-N 1 2 278.359 3.460 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000769727052 627574605 /nfs/dbraw/zinc/57/46/05/627574605.db2.gz CHSVYDSSICPAPQ-UHFFFAOYSA-N 1 2 285.313 3.472 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cn1 ZINC000769727052 627574609 /nfs/dbraw/zinc/57/46/09/627574609.db2.gz CHSVYDSSICPAPQ-UHFFFAOYSA-N 1 2 285.313 3.472 20 30 CGEDLO C(=NN=c1[nH]c2ccccc2s1)c1cccc2[nH+]ccn21 ZINC000771096809 627682182 /nfs/dbraw/zinc/68/21/82/627682182.db2.gz GZWUAIHZFXWCCB-UHFFFAOYSA-N 1 2 293.355 3.390 20 30 CGEDLO Clc1cccc(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771090815 627682533 /nfs/dbraw/zinc/68/25/33/627682533.db2.gz YZBPYAWDTNTIHW-UHFFFAOYSA-N 1 2 270.723 3.434 20 30 CGEDLO N#CC[N@H+](C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000780291583 628478427 /nfs/dbraw/zinc/47/84/27/628478427.db2.gz YQDZRJYOPVVOCM-OAHLLOKOSA-N 1 2 254.377 3.485 20 30 CGEDLO N#CC[N@@H+](C[C@H]1CCc2ccccc21)C1CCCC1 ZINC000780291583 628478428 /nfs/dbraw/zinc/47/84/28/628478428.db2.gz YQDZRJYOPVVOCM-OAHLLOKOSA-N 1 2 254.377 3.485 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000780474597 628492128 /nfs/dbraw/zinc/49/21/28/628492128.db2.gz YGLPODUOEMXGNF-LSDHHAIUSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000780474597 628492130 /nfs/dbraw/zinc/49/21/30/628492130.db2.gz YGLPODUOEMXGNF-LSDHHAIUSA-N 1 2 261.365 3.187 20 30 CGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(F)cc1N(C)C ZINC000781133706 628540493 /nfs/dbraw/zinc/54/04/93/628540493.db2.gz SADUWGMYYCIQRY-UHFFFAOYSA-N 1 2 290.317 3.262 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nc2c(s1)CCCC2 ZINC000783292342 628699460 /nfs/dbraw/zinc/69/94/60/628699460.db2.gz AIFJBWDYMWNDGR-NSHDSACASA-N 1 2 298.415 3.139 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCO[C@H](C)C2)c1 ZINC000783686015 628739698 /nfs/dbraw/zinc/73/96/98/628739698.db2.gz UQVZZTKSSUDSCR-RWNNJQNRSA-N 1 2 291.391 3.415 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2CC(OCC)C2)c(O)c1 ZINC000788674029 629072143 /nfs/dbraw/zinc/07/21/43/629072143.db2.gz BHSZGHFZWCHNNF-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO Oc1ccc(Cl)cc1/C=N/Cc1c[nH+]c2n1CCCC2 ZINC000790573058 629218556 /nfs/dbraw/zinc/21/85/56/629218556.db2.gz BZDSBDJLRIOAGC-CAOOACKPSA-N 1 2 289.766 3.198 20 30 CGEDLO C=CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000862441764 629374676 /nfs/dbraw/zinc/37/46/76/629374676.db2.gz VQEPYMFZXXWTIH-NSHDSACASA-N 1 2 251.757 3.444 20 30 CGEDLO C=CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000862441764 629374680 /nfs/dbraw/zinc/37/46/80/629374680.db2.gz VQEPYMFZXXWTIH-NSHDSACASA-N 1 2 251.757 3.444 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(F)c(Cl)c2)[C@H]2CCCCN12 ZINC000863179241 629488848 /nfs/dbraw/zinc/48/88/48/629488848.db2.gz RRKGISCPBMBXJY-CYBMUJFWSA-N 1 2 295.745 3.032 20 30 CGEDLO Cc1[nH+]cc(CN=Nc2cccc(F)n2)n1-c1ccccc1 ZINC000795006991 629620188 /nfs/dbraw/zinc/62/01/88/629620188.db2.gz WCKMZZILHWGKEO-UHFFFAOYSA-N 1 2 295.321 3.161 20 30 CGEDLO C=CCn1c(C)nn(C[NH+]2CCC3(CCC3)CC2)c1=S ZINC000795714497 629711850 /nfs/dbraw/zinc/71/18/50/629711850.db2.gz ASAFIMCFHPABMB-UHFFFAOYSA-N 1 2 292.452 3.132 20 30 CGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCC2)CC1 ZINC000796515024 629793398 /nfs/dbraw/zinc/79/33/98/629793398.db2.gz WFQSUPBDLBAHJE-INIZCTEOSA-N 1 2 298.386 3.038 20 30 CGEDLO COc1cccc(/C=[NH+]\C[C@@H]2CCC23CCOCC3)c1O ZINC000864348584 629817828 /nfs/dbraw/zinc/81/78/28/629817828.db2.gz NAOAVJBMMCWIPX-DZBQEORWSA-N 1 2 289.375 3.027 20 30 CGEDLO COc1cc(C#N)ccc1OCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865375923 630086338 /nfs/dbraw/zinc/08/63/38/630086338.db2.gz QYWGFPPLDIILLJ-UHFFFAOYSA-N 1 2 299.374 3.140 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CC[C@@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000799726838 630225993 /nfs/dbraw/zinc/22/59/93/630225993.db2.gz VBIOIUZPISIUQN-DLTWYDFYSA-N 1 2 299.418 3.404 20 30 CGEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000801929371 630368845 /nfs/dbraw/zinc/36/88/45/630368845.db2.gz LLODKZRGJGXMEK-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@@H](C#N)OCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000801929371 630368846 /nfs/dbraw/zinc/36/88/46/630368846.db2.gz LLODKZRGJGXMEK-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO CCc1cc(OCCO[C@H](C)C#N)c2ccccc2[nH+]1 ZINC000802733685 630406570 /nfs/dbraw/zinc/40/65/70/630406570.db2.gz XFHWKJDKBNQSLD-GFCCVEGCSA-N 1 2 270.332 3.105 20 30 CGEDLO O=C1c2ccc(Cl)nc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000806578131 630568347 /nfs/dbraw/zinc/56/83/47/630568347.db2.gz NWGPQRJLCSQGOV-JXMROGBWSA-N 1 2 295.729 3.205 20 30 CGEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000809572955 630751594 /nfs/dbraw/zinc/75/15/94/630751594.db2.gz WWTUOJWBRDLCGS-RISCZKNCSA-N 1 2 299.201 3.405 20 30 CGEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000809572955 630751598 /nfs/dbraw/zinc/75/15/98/630751598.db2.gz WWTUOJWBRDLCGS-RISCZKNCSA-N 1 2 299.201 3.405 20 30 CGEDLO Clc1cnccc1N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814869139 631659542 /nfs/dbraw/zinc/65/95/42/631659542.db2.gz SPJVSNNIIRDFLH-SNVBAGLBSA-N 1 2 298.777 3.276 20 30 CGEDLO CCC(=[NH+]Nc1ccnc(F)c1)c1cccc(N)c1 ZINC000814902660 631672616 /nfs/dbraw/zinc/67/26/16/631672616.db2.gz SIOALXQKUQQYSU-UHFFFAOYSA-N 1 2 258.300 3.029 20 30 CGEDLO CC(=[NH+]OCCC1CC1)c1cc(F)c(N)c(F)c1 ZINC000814940960 631693991 /nfs/dbraw/zinc/69/39/91/631693991.db2.gz JDIDBEIOSXPCLL-UHFFFAOYSA-N 1 2 254.280 3.088 20 30 CGEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1csc(Cl)n1 ZINC000879432906 635787476 /nfs/dbraw/zinc/78/74/76/635787476.db2.gz LAOZEPBWSPYGFE-UHFFFAOYSA-N 1 2 291.807 3.343 20 30 CGEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1csc(Cl)n1 ZINC000879432906 635787479 /nfs/dbraw/zinc/78/74/79/635787479.db2.gz LAOZEPBWSPYGFE-UHFFFAOYSA-N 1 2 291.807 3.343 20 30 CGEDLO Nc1ccc(/C=C/C(=O)c2cc3ccccc3o2)c[nH+]1 ZINC000821028791 632714538 /nfs/dbraw/zinc/71/45/38/632714538.db2.gz VXTZIWZUIZKNCN-FNORWQNLSA-N 1 2 264.284 3.306 20 30 CGEDLO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cccc(C#N)c1O ZINC000866242801 633041827 /nfs/dbraw/zinc/04/18/27/633041827.db2.gz MKONLRBSVIDEQO-JTQLQIEISA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866351937 633094170 /nfs/dbraw/zinc/09/41/70/633094170.db2.gz TZHNYRSJGBLPPL-MNOVXSKESA-N 1 2 280.318 3.350 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000829805127 633790290 /nfs/dbraw/zinc/79/02/90/633790290.db2.gz PCNACZRDVUHUFK-JTQLQIEISA-N 1 2 288.338 3.397 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000829805127 633790295 /nfs/dbraw/zinc/79/02/95/633790295.db2.gz PCNACZRDVUHUFK-JTQLQIEISA-N 1 2 288.338 3.397 20 30 CGEDLO CC(C)(C)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000871923453 633918195 /nfs/dbraw/zinc/91/81/95/633918195.db2.gz SLBUQZTTYJZEDM-LBPRGKRZSA-N 1 2 259.353 3.110 20 30 CGEDLO C=CCCc1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872181784 634080296 /nfs/dbraw/zinc/08/02/96/634080296.db2.gz BGWVMARAAZZRMZ-GFCCVEGCSA-N 1 2 297.280 3.255 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000877312793 635023654 /nfs/dbraw/zinc/02/36/54/635023654.db2.gz MHXQQCFPPWBNPE-INIZCTEOSA-N 1 2 287.363 3.337 20 30 CGEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000877312793 635023657 /nfs/dbraw/zinc/02/36/57/635023657.db2.gz MHXQQCFPPWBNPE-INIZCTEOSA-N 1 2 287.363 3.337 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2(OC)CCC2)c1 ZINC000840707071 635038275 /nfs/dbraw/zinc/03/82/75/635038275.db2.gz RUWXNDDKKVLYNN-ATVHPVEESA-N 1 2 277.364 3.169 20 30 CGEDLO C=CC[N@H+](Cc1ncccc1Br)C(C)C ZINC000877977151 635301561 /nfs/dbraw/zinc/30/15/61/635301561.db2.gz ULBYOTCHEVZBCZ-UHFFFAOYSA-N 1 2 269.186 3.241 20 30 CGEDLO C=CC[N@@H+](Cc1ncccc1Br)C(C)C ZINC000877977151 635301569 /nfs/dbraw/zinc/30/15/69/635301569.db2.gz ULBYOTCHEVZBCZ-UHFFFAOYSA-N 1 2 269.186 3.241 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2(COC)CC2)c(O)c1 ZINC000843266062 635628751 /nfs/dbraw/zinc/62/87/51/635628751.db2.gz JKIOEKCYIXBXLI-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)s1 ZINC000879251902 635736540 /nfs/dbraw/zinc/73/65/40/635736540.db2.gz TUCFVRRGZZPIDB-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO COc1ccc([C@@H]2COCC[N@@H+]2CCC(C)(C)C#N)cc1 ZINC000879738107 635847547 /nfs/dbraw/zinc/84/75/47/635847547.db2.gz NJBNWXWIKMJMLO-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccc([C@@H]2COCC[N@H+]2CCC(C)(C)C#N)cc1 ZINC000879738107 635847551 /nfs/dbraw/zinc/84/75/51/635847551.db2.gz NJBNWXWIKMJMLO-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC000846994398 636303869 /nfs/dbraw/zinc/30/38/69/636303869.db2.gz QUQGWODYHLSZLL-SECBINFHSA-N 1 2 258.152 3.170 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019140 636312241 /nfs/dbraw/zinc/31/22/41/636312241.db2.gz OZMOZTCPYKEFDZ-ZIAGYGMSSA-N 1 2 281.359 3.143 20 30 CGEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000847019140 636312244 /nfs/dbraw/zinc/31/22/44/636312244.db2.gz OZMOZTCPYKEFDZ-ZIAGYGMSSA-N 1 2 281.359 3.143 20 30 CGEDLO Cc1ccccc1C1CC(=NNCCCn2cc[nH+]c2)C1 ZINC000848418016 636573413 /nfs/dbraw/zinc/57/34/13/636573413.db2.gz IFWFHWJPSZVIRB-UHFFFAOYSA-N 1 2 282.391 3.105 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(C#N)c1O ZINC000883367267 636708541 /nfs/dbraw/zinc/70/85/41/636708541.db2.gz LSVDOWDMMIKFTL-MJEQTWJJSA-N 1 2 286.375 3.016 20 30 CGEDLO COc1cccc(/C=[NH+]/CCC2(CSC)CC2)c1O ZINC000849170565 636763468 /nfs/dbraw/zinc/76/34/68/636763468.db2.gz QTPYMRXQPWVADB-MHWRWJLKSA-N 1 2 279.405 3.353 20 30 CGEDLO CCc1nn(C)c(Cl)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000850390793 637044177 /nfs/dbraw/zinc/04/41/77/637044177.db2.gz SRBJVVJMWOIVNF-UHFFFAOYSA-N 1 2 294.830 3.200 20 30 CGEDLO C=CCC1(O)CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000884724483 637137086 /nfs/dbraw/zinc/13/70/86/637137086.db2.gz UWVLOJDUFCYHER-UHFFFAOYSA-N 1 2 298.386 3.151 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(C)n1 ZINC000853198879 637781127 /nfs/dbraw/zinc/78/11/27/637781127.db2.gz IBFYMYKRNJTFCC-UHFFFAOYSA-N 1 2 281.359 3.189 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@@H]2CC(C)(C)CO2)c1O ZINC000887270772 637787475 /nfs/dbraw/zinc/78/74/75/637787475.db2.gz TWCXBYHCHKOQBR-OMJMQIJPSA-N 1 2 277.364 3.025 20 30 CGEDLO CCCCCC[C@H](C)NN=Cc1c[nH+]c(C)n1C ZINC000853312705 637807393 /nfs/dbraw/zinc/80/73/93/637807393.db2.gz DZQBHMVQRFNWNW-LBPRGKRZSA-N 1 2 250.390 3.011 20 30 CGEDLO C[C@H]1CCCCN1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000853379415 637828917 /nfs/dbraw/zinc/82/89/17/637828917.db2.gz IZNAYHWFBNJRHB-LBPRGKRZSA-N 1 2 274.393 3.142 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)=NOCC1CCC1 ZINC000853440627 637844936 /nfs/dbraw/zinc/84/49/36/637844936.db2.gz GIBFUIKRNBPUML-UHFFFAOYSA-N 1 2 258.365 3.195 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCO[C@@H](C)C1 ZINC000853467139 637849885 /nfs/dbraw/zinc/84/98/85/637849885.db2.gz CTDCYLHVIUMOMW-GJZGRUSLSA-N 1 2 288.391 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)OCC ZINC000853510923 637858738 /nfs/dbraw/zinc/85/87/38/637858738.db2.gz IBOJXMQNMNCURZ-UHFFFAOYSA-N 1 2 276.380 3.101 20 30 CGEDLO CC(C)n1ccn(C[N@@H+]2CCC[C@H](CC#N)C2)c1=S ZINC000853525236 637861314 /nfs/dbraw/zinc/86/13/14/637861314.db2.gz CMRZQLFODGFRQI-CYBMUJFWSA-N 1 2 278.425 3.183 20 30 CGEDLO CC(C)n1ccn(C[N@H+]2CCC[C@H](CC#N)C2)c1=S ZINC000853525236 637861320 /nfs/dbraw/zinc/86/13/20/637861320.db2.gz CMRZQLFODGFRQI-CYBMUJFWSA-N 1 2 278.425 3.183 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C)n(C2CC2)c1=S ZINC000853599940 637871421 /nfs/dbraw/zinc/87/14/21/637871421.db2.gz ZIQOFDNMVOAYDQ-OKILXGFUSA-N 1 2 290.436 3.198 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)n(C2CC2)c1=S ZINC000853599940 637871426 /nfs/dbraw/zinc/87/14/26/637871426.db2.gz ZIQOFDNMVOAYDQ-OKILXGFUSA-N 1 2 290.436 3.198 20 30 CGEDLO N#CCC1(CO[NH+]=C(N)Cc2ccccc2Cl)CC1 ZINC000853659453 637884517 /nfs/dbraw/zinc/88/45/17/637884517.db2.gz GYKVMLIDSKCKAD-UHFFFAOYSA-N 1 2 277.755 3.075 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ncc(C)s1)c1cccc(C#N)c1O ZINC000925154717 638462924 /nfs/dbraw/zinc/46/29/24/638462924.db2.gz ZMEWRZKEUKZOKZ-CYBMUJFWSA-N 1 2 287.388 3.270 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(C#N)c1O ZINC000925218845 638477978 /nfs/dbraw/zinc/47/79/78/638477978.db2.gz QCIROEMCCRMKSA-GXTWGEPZSA-N 1 2 276.405 3.200 20 30 CGEDLO CC[C@H]([NH2+]Cc1ncccc1F)c1cccc(C#N)c1O ZINC000925599306 638541824 /nfs/dbraw/zinc/54/18/24/638541824.db2.gz RMQAHOZWPDTDCK-AWEZNQCLSA-N 1 2 285.322 3.039 20 30 CGEDLO CC[C@H]([NH2+]CCC1CC(OC)C1)c1cccc(C#N)c1O ZINC000926671566 638796866 /nfs/dbraw/zinc/79/68/66/638796866.db2.gz IWNDHEYYSLEXPR-PXCJXSSVSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)cc1F ZINC000927109794 638842997 /nfs/dbraw/zinc/84/29/97/638842997.db2.gz XPUWOFQZXPDXDA-NSHDSACASA-N 1 2 298.365 3.159 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccc2)o1)CC1CC1 ZINC000929775911 638949493 /nfs/dbraw/zinc/94/94/93/638949493.db2.gz XGNCMDXLTQRJAJ-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO N#CCC[N@H+](Cc1cnc(-c2ccccc2)o1)CC1CC1 ZINC000929775911 638949496 /nfs/dbraw/zinc/94/94/96/638949496.db2.gz XGNCMDXLTQRJAJ-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC000929830361 638955094 /nfs/dbraw/zinc/95/50/94/638955094.db2.gz DQIZJALHUMHEQM-JTQLQIEISA-N 1 2 270.735 3.092 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC000929830361 638955096 /nfs/dbraw/zinc/95/50/96/638955096.db2.gz DQIZJALHUMHEQM-JTQLQIEISA-N 1 2 270.735 3.092 20 30 CGEDLO C#CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116327170 639021800 /nfs/dbraw/zinc/02/18/00/639021800.db2.gz RYFHYFTXWHAIHQ-CYBMUJFWSA-N 1 2 251.782 3.063 20 30 CGEDLO C#CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000116327170 639021803 /nfs/dbraw/zinc/02/18/03/639021803.db2.gz RYFHYFTXWHAIHQ-CYBMUJFWSA-N 1 2 251.782 3.063 20 30 CGEDLO Cc1[nH]c(CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000930764364 639065560 /nfs/dbraw/zinc/06/55/60/639065560.db2.gz LODAZACZJANFDB-LBPRGKRZSA-N 1 2 268.364 3.091 20 30 CGEDLO N#Cc1cncc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000931338963 639137634 /nfs/dbraw/zinc/13/76/34/639137634.db2.gz VYKBGWNMZJGKSW-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)Cc2c[nH]nc21 ZINC000931460371 639153155 /nfs/dbraw/zinc/15/31/55/639153155.db2.gz XFAZLWMJAMBVCB-LBPRGKRZSA-N 1 2 285.778 3.034 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2c[nH]nc21 ZINC000931460371 639153163 /nfs/dbraw/zinc/15/31/63/639153163.db2.gz XFAZLWMJAMBVCB-LBPRGKRZSA-N 1 2 285.778 3.034 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC000931531139 639163852 /nfs/dbraw/zinc/16/38/52/639163852.db2.gz BWNSTVOXKBMECC-SFHVURJKSA-N 1 2 295.361 3.414 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC000931531139 639163856 /nfs/dbraw/zinc/16/38/56/639163856.db2.gz BWNSTVOXKBMECC-SFHVURJKSA-N 1 2 295.361 3.414 20 30 CGEDLO CSc1ccc(OCC[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932156983 639278159 /nfs/dbraw/zinc/27/81/59/639278159.db2.gz VDVPMWPGZPFEDR-CYBMUJFWSA-N 1 2 276.405 3.023 20 30 CGEDLO CSc1ccc(OCC[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932156983 639278162 /nfs/dbraw/zinc/27/81/62/639278162.db2.gz VDVPMWPGZPFEDR-CYBMUJFWSA-N 1 2 276.405 3.023 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(F)cc1 ZINC000092541689 640739438 /nfs/dbraw/zinc/73/94/38/640739438.db2.gz MZQCFXQBDVIDRM-UHFFFAOYSA-N 1 2 299.393 3.413 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(F)cc1 ZINC000092541689 640739447 /nfs/dbraw/zinc/73/94/47/640739447.db2.gz MZQCFXQBDVIDRM-UHFFFAOYSA-N 1 2 299.393 3.413 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC000957440453 640803710 /nfs/dbraw/zinc/80/37/10/640803710.db2.gz KEBGQCCGLVTRQG-UHFFFAOYSA-N 1 2 292.467 3.168 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3cc(F)c(C#N)c(F)c3)[nH+]c2c1 ZINC001250904710 805795347 /nfs/dbraw/zinc/79/53/47/805795347.db2.gz QXQHJMPMXRCLGA-UHFFFAOYSA-N 1 2 298.296 3.446 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3ccc(F)cc3C#N)[nH+]c2c1 ZINC001250933707 805803775 /nfs/dbraw/zinc/80/37/75/805803775.db2.gz OPRWNCSNKFZCRA-UHFFFAOYSA-N 1 2 280.306 3.307 20 30 CGEDLO C=CCC[C@H](O)CNc1cc(C)c(Br)c(C)[nH+]1 ZINC001252588032 806077976 /nfs/dbraw/zinc/07/79/76/806077976.db2.gz ZRHKPRZMCRQNAU-NSHDSACASA-N 1 2 299.212 3.200 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1[nH+]cccc1O ZINC001253232359 806186007 /nfs/dbraw/zinc/18/60/07/806186007.db2.gz LLMRGHROOUFGGD-CYBMUJFWSA-N 1 2 264.369 3.087 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1[nH+]cccc1O ZINC001253232360 806186052 /nfs/dbraw/zinc/18/60/52/806186052.db2.gz LLMRGHROOUFGGD-ZDUSSCGKSA-N 1 2 264.369 3.087 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1c[nH+]ccc1OC ZINC001253233084 806186659 /nfs/dbraw/zinc/18/66/59/806186659.db2.gz ZKASJZMSZKPVTF-AWEZNQCLSA-N 1 2 278.396 3.390 20 30 CGEDLO C#CC[N@@H+](Cc1c(F)cccc1Cl)CC1CC1 ZINC001253563480 806259373 /nfs/dbraw/zinc/25/93/73/806259373.db2.gz OVTHJBFMLFYZDA-UHFFFAOYSA-N 1 2 251.732 3.324 20 30 CGEDLO C#CC[N@H+](Cc1c(F)cccc1Cl)CC1CC1 ZINC001253563480 806259378 /nfs/dbraw/zinc/25/93/78/806259378.db2.gz OVTHJBFMLFYZDA-UHFFFAOYSA-N 1 2 251.732 3.324 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC3Cc4ccccc4C3)c2)CC1 ZINC001161758431 806447212 /nfs/dbraw/zinc/44/72/12/806447212.db2.gz YPUPGQQAOGVTGM-UHFFFAOYSA-N 1 2 275.355 3.216 20 30 CGEDLO COc1ncccc1[C@@H](Nc1cc(CC#N)cc[nH+]1)C1CC1 ZINC001161790577 806455112 /nfs/dbraw/zinc/45/51/12/806455112.db2.gz HEWURDVEGNIMCB-INIZCTEOSA-N 1 2 294.358 3.114 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254644419 806469984 /nfs/dbraw/zinc/46/99/84/806469984.db2.gz XKHKIZLREADBLM-DGAVXFQQSA-N 1 2 280.412 3.025 20 30 CGEDLO COc1cc[nH+]c(C(C)(C)CNc2nccc(C)c2C#N)c1 ZINC001162128893 806509816 /nfs/dbraw/zinc/50/98/16/806509816.db2.gz WSEGMAGHYBVLLH-UHFFFAOYSA-N 1 2 296.374 3.055 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1cnc(C)s1 ZINC001162155959 806517118 /nfs/dbraw/zinc/51/71/18/806517118.db2.gz BHPLHEBBLFWEFA-UHFFFAOYSA-N 1 2 259.378 3.496 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001255162384 806561203 /nfs/dbraw/zinc/56/12/03/806561203.db2.gz OPZDTIKIRBALQN-TZMCWYRMSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001255165642 806562472 /nfs/dbraw/zinc/56/24/72/806562472.db2.gz ZNLGFGSNRSJGIP-WCQYABFASA-N 1 2 264.756 3.445 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001255164577 806563282 /nfs/dbraw/zinc/56/32/82/806563282.db2.gz OLAQKMPDHBOMHY-NOZJJQNGSA-N 1 2 250.292 3.234 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC000044648813 798889968 /nfs/dbraw/zinc/88/99/68/798889968.db2.gz MLISNDOVICDXEI-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC000044648813 798889973 /nfs/dbraw/zinc/88/99/73/798889973.db2.gz MLISNDOVICDXEI-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3/Cc4cc(O)ccc4C3=O)n2c1 ZINC000588535294 799707725 /nfs/dbraw/zinc/70/77/25/799707725.db2.gz YNDIUBACZBCYBL-QPEQYQDCSA-N 1 2 290.322 3.171 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000703662137 799927474 /nfs/dbraw/zinc/92/74/74/799927474.db2.gz FKGWSHABTJRMPW-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000703662137 799927479 /nfs/dbraw/zinc/92/74/79/799927479.db2.gz FKGWSHABTJRMPW-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO C#Cc1ccc(C[N@@H+](C)Cc2csc(CC)n2)cc1 ZINC000809552877 800446510 /nfs/dbraw/zinc/44/65/10/800446510.db2.gz SIGDMVZGFMSAEW-UHFFFAOYSA-N 1 2 270.401 3.319 20 30 CGEDLO C#Cc1ccc(C[N@H+](C)Cc2csc(CC)n2)cc1 ZINC000809552877 800446514 /nfs/dbraw/zinc/44/65/14/800446514.db2.gz SIGDMVZGFMSAEW-UHFFFAOYSA-N 1 2 270.401 3.319 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932250353 800655485 /nfs/dbraw/zinc/65/54/85/800655485.db2.gz WHNJTSPTUZNNNV-CYBMUJFWSA-N 1 2 279.181 3.004 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932250353 800655488 /nfs/dbraw/zinc/65/54/88/800655488.db2.gz WHNJTSPTUZNNNV-CYBMUJFWSA-N 1 2 279.181 3.004 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932384065 800662537 /nfs/dbraw/zinc/66/25/37/800662537.db2.gz FFUHMOSKXKYQHK-QGZVFWFLSA-N 1 2 281.334 3.333 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597790 800730801 /nfs/dbraw/zinc/73/08/01/800730801.db2.gz WTBYZQBVYZIDLE-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597790 800730807 /nfs/dbraw/zinc/73/08/07/800730807.db2.gz WTBYZQBVYZIDLE-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C1CCC(C(=O)NC2C[NH+](Cc3ccccc3C)C2)CC1 ZINC001030900078 800900788 /nfs/dbraw/zinc/90/07/88/800900788.db2.gz NMCMOMRGXWJXPR-UHFFFAOYSA-N 1 2 298.430 3.042 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001031787715 800916002 /nfs/dbraw/zinc/91/60/02/800916002.db2.gz ICAMTIMZXXRSKQ-CABCVRRESA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310324 800959357 /nfs/dbraw/zinc/95/93/57/800959357.db2.gz RWMFJSMSABVBNI-AWEZNQCLSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033310324 800959361 /nfs/dbraw/zinc/95/93/61/800959361.db2.gz RWMFJSMSABVBNI-AWEZNQCLSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389490 800963037 /nfs/dbraw/zinc/96/30/37/800963037.db2.gz PFDDVEHALJDMPO-OAHLLOKOSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389490 800963046 /nfs/dbraw/zinc/96/30/46/800963046.db2.gz PFDDVEHALJDMPO-OAHLLOKOSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001044223762 801232035 /nfs/dbraw/zinc/23/20/35/801232035.db2.gz PKNNCDOIFFQUIY-UHFFFAOYSA-N 1 2 286.419 3.142 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225538 801302846 /nfs/dbraw/zinc/30/28/46/801302846.db2.gz CDHUWQQPLXTLHB-MRXNPFEDSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046225538 801302851 /nfs/dbraw/zinc/30/28/51/801302851.db2.gz CDHUWQQPLXTLHB-MRXNPFEDSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071322972 801528258 /nfs/dbraw/zinc/52/82/58/801528258.db2.gz ZMBUEAITUQWBIE-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071322972 801528263 /nfs/dbraw/zinc/52/82/63/801528263.db2.gz ZMBUEAITUQWBIE-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC001088447198 801793580 /nfs/dbraw/zinc/79/35/80/801793580.db2.gz WMGGFRYJYXRACG-NEPJUHHUSA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC001088447198 801793583 /nfs/dbraw/zinc/79/35/83/801793583.db2.gz WMGGFRYJYXRACG-NEPJUHHUSA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001110720868 802147159 /nfs/dbraw/zinc/14/71/59/802147159.db2.gz SLJWIFHVKBCROH-DGAVXFQQSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001110720868 802147164 /nfs/dbraw/zinc/14/71/64/802147164.db2.gz SLJWIFHVKBCROH-DGAVXFQQSA-N 1 2 298.858 3.143 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)nn(CCCC)c1Cl)CC1CC1 ZINC001116449246 802354915 /nfs/dbraw/zinc/35/49/15/802354915.db2.gz LOUCVZCYANBFHE-UHFFFAOYSA-N 1 2 293.842 3.490 20 30 CGEDLO C#CC[N@H+](Cc1c(C)nn(CCCC)c1Cl)CC1CC1 ZINC001116449246 802354919 /nfs/dbraw/zinc/35/49/19/802354919.db2.gz LOUCVZCYANBFHE-UHFFFAOYSA-N 1 2 293.842 3.490 20 30 CGEDLO C=C(CC(C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001123638389 802960295 /nfs/dbraw/zinc/96/02/95/802960295.db2.gz BYHUTQNHMIQMOS-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787073 803344732 /nfs/dbraw/zinc/34/47/32/803344732.db2.gz FJPNYCMUQJDQCB-KGLIPLIRSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787073 803344739 /nfs/dbraw/zinc/34/47/39/803344739.db2.gz FJPNYCMUQJDQCB-KGLIPLIRSA-N 1 2 286.847 3.144 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132325936 803394888 /nfs/dbraw/zinc/39/48/88/803394888.db2.gz AKUPYNOUVNDGOS-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132325936 803394895 /nfs/dbraw/zinc/39/48/95/803394895.db2.gz AKUPYNOUVNDGOS-KBPBESRZSA-N 1 2 298.858 3.310 20 30 CGEDLO Cc1cc(-c2cccc(C#N)c2C)c[nH+]c1N1CCOCC1 ZINC001244815849 803533860 /nfs/dbraw/zinc/53/38/60/803533860.db2.gz SZCRUICPNBVXSM-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO CNc1cc(-c2cc(OC)c(OC)cc2CCC#N)cc[nH+]1 ZINC001244974333 803599404 /nfs/dbraw/zinc/59/94/04/803599404.db2.gz WPTSQHFIGLKGQD-UHFFFAOYSA-N 1 2 297.358 3.264 20 30 CGEDLO Cc1cn2c(cccc2-c2cccc(C#N)c2F)[nH+]1 ZINC001245070851 803631406 /nfs/dbraw/zinc/63/14/06/803631406.db2.gz VCUSDPZIMWYLFP-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cc1csc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1Cl ZINC001137289366 803709879 /nfs/dbraw/zinc/70/98/79/803709879.db2.gz ZIGJOEPJTUOSKF-JTQLQIEISA-N 1 2 299.848 3.484 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(CCC3)C2)c(Br)c1 ZINC001137634150 803748508 /nfs/dbraw/zinc/74/85/08/803748508.db2.gz KMLAOTNLJQAEMA-UHFFFAOYSA-N 1 2 291.192 3.307 20 30 CGEDLO Cc1c(N)c(F)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001245461780 803749278 /nfs/dbraw/zinc/74/92/78/803749278.db2.gz SNRBSMGNZAKYQM-UFFVCSGVSA-N 1 2 296.349 3.476 20 30 CGEDLO COc1cc(CCC#N)c(-c2c[nH+]c(N)c(C)c2)cc1OC ZINC001245538466 803797054 /nfs/dbraw/zinc/79/70/54/803797054.db2.gz KJTDGFDNJLWCIW-UHFFFAOYSA-N 1 2 297.358 3.113 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)cc1F ZINC001137892510 803797125 /nfs/dbraw/zinc/79/71/25/803797125.db2.gz VRAHHPULIPTJTN-WLLOZRIZSA-N 1 2 280.293 3.370 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1F ZINC001137892510 803797129 /nfs/dbraw/zinc/79/71/29/803797129.db2.gz VRAHHPULIPTJTN-WLLOZRIZSA-N 1 2 280.293 3.370 20 30 CGEDLO Cc1ccc2[nH]c(C[N@@H+]3CC[C@](C)(C#N)C3)cc2c1 ZINC001138421095 803930724 /nfs/dbraw/zinc/93/07/24/803930724.db2.gz ZFOHYVNHSUUNEP-MRXNPFEDSA-N 1 2 253.349 3.212 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+]3CC[C@](C)(C#N)C3)cc2c1 ZINC001138421095 803930733 /nfs/dbraw/zinc/93/07/33/803930733.db2.gz ZFOHYVNHSUUNEP-MRXNPFEDSA-N 1 2 253.349 3.212 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cccnc2F)CC1 ZINC001138783790 804038873 /nfs/dbraw/zinc/03/88/73/804038873.db2.gz XDYMCTZFOSZSCT-UHFFFAOYSA-N 1 2 295.361 3.278 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001139647394 804243285 /nfs/dbraw/zinc/24/32/85/804243285.db2.gz ZAQFGGCGDDCMSY-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001139647394 804243291 /nfs/dbraw/zinc/24/32/91/804243291.db2.gz ZAQFGGCGDDCMSY-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108384 804380117 /nfs/dbraw/zinc/38/01/17/804380117.db2.gz VJGUPTVRQYLFFG-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108384 804380125 /nfs/dbraw/zinc/38/01/25/804380125.db2.gz VJGUPTVRQYLFFG-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600294 804471414 /nfs/dbraw/zinc/47/14/14/804471414.db2.gz GIXGMAZUPUZLQB-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600294 804471417 /nfs/dbraw/zinc/47/14/17/804471417.db2.gz GIXGMAZUPUZLQB-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001141166548 804603071 /nfs/dbraw/zinc/60/30/71/804603071.db2.gz VIRUTEHJHMLNHA-LLVKDONJSA-N 1 2 268.282 3.174 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001141166548 804603075 /nfs/dbraw/zinc/60/30/75/804603075.db2.gz VIRUTEHJHMLNHA-LLVKDONJSA-N 1 2 268.282 3.174 20 30 CGEDLO Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001141438623 804641623 /nfs/dbraw/zinc/64/16/23/804641623.db2.gz ZDMJSAPFMQXTBY-ZDUSSCGKSA-N 1 2 283.297 3.144 20 30 CGEDLO Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001141438623 804641626 /nfs/dbraw/zinc/64/16/26/804641626.db2.gz ZDMJSAPFMQXTBY-ZDUSSCGKSA-N 1 2 283.297 3.144 20 30 CGEDLO CSc1nc(C[N@@H+]2CCCC[C@](C)(F)C2)ccc1C#N ZINC001141932291 804680390 /nfs/dbraw/zinc/68/03/90/804680390.db2.gz WNXXQXHMMHKNDY-HNNXBMFYSA-N 1 2 293.411 3.389 20 30 CGEDLO CSc1nc(C[N@H+]2CCCC[C@](C)(F)C2)ccc1C#N ZINC001141932291 804680394 /nfs/dbraw/zinc/68/03/94/804680394.db2.gz WNXXQXHMMHKNDY-HNNXBMFYSA-N 1 2 293.411 3.389 20 30 CGEDLO C[N@H+](CCc1ccncc1)Cc1c(Cl)cccc1C#N ZINC001143726065 804888148 /nfs/dbraw/zinc/88/81/48/804888148.db2.gz DQEUTFSZPHXNNJ-UHFFFAOYSA-N 1 2 285.778 3.281 20 30 CGEDLO C[N@@H+](CCc1ccncc1)Cc1c(Cl)cccc1C#N ZINC001143726065 804888151 /nfs/dbraw/zinc/88/81/51/804888151.db2.gz DQEUTFSZPHXNNJ-UHFFFAOYSA-N 1 2 285.778 3.281 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143979283 804918575 /nfs/dbraw/zinc/91/85/75/804918575.db2.gz XZUWDBLMPRNHBR-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143979283 804918580 /nfs/dbraw/zinc/91/85/80/804918580.db2.gz XZUWDBLMPRNHBR-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429623 805147079 /nfs/dbraw/zinc/14/70/79/805147079.db2.gz JREYMXJJVDXVSN-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429623 805147088 /nfs/dbraw/zinc/14/70/88/805147088.db2.gz JREYMXJJVDXVSN-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249524748 805164284 /nfs/dbraw/zinc/16/42/84/805164284.db2.gz LHKZYCUIUPCOML-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249524748 805164287 /nfs/dbraw/zinc/16/42/87/805164287.db2.gz LHKZYCUIUPCOML-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO C#Cc1cc(Nc2ccc3c(c2)C(=O)CCCC3)cc[nH+]1 ZINC001249889563 805281319 /nfs/dbraw/zinc/28/13/19/805281319.db2.gz QMSBQGPMHHSKDH-UHFFFAOYSA-N 1 2 276.339 3.138 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001155172827 805548997 /nfs/dbraw/zinc/54/89/97/805548997.db2.gz ACIODVFWFXUKBW-OAHLLOKOSA-N 1 2 287.407 3.458 20 30 CGEDLO N#Cc1cc(C(F)(F)F)ccc1CCn1cc[nH+]c1 ZINC001250316356 805561491 /nfs/dbraw/zinc/56/14/91/805561491.db2.gz KXRVKGNOWYZIJT-UHFFFAOYSA-N 1 2 265.238 3.016 20 30 CGEDLO CC(C)c1ccc(C#N)c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167123635 807156043 /nfs/dbraw/zinc/15/60/43/807156043.db2.gz FIDPQEIRGACOTI-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCCCC)C(=O)OCC ZINC001257503108 807183629 /nfs/dbraw/zinc/18/36/29/807183629.db2.gz LMBSPRILQKISBD-GUTXKFCHSA-N 1 2 253.386 3.053 20 30 CGEDLO Cc1nc(NCc2ccccc2C#N)c2c([nH+]1)CCCC2 ZINC001167633100 807220219 /nfs/dbraw/zinc/22/02/19/807220219.db2.gz GYCAYAWLTUXPFE-UHFFFAOYSA-N 1 2 278.359 3.148 20 30 CGEDLO N#CCc1ccc[nH+]c1NCc1nccc2ccccc21 ZINC001167699571 807228778 /nfs/dbraw/zinc/22/87/78/807228778.db2.gz KNUCKBKKAORMKI-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO CCCCCCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258045195 807274237 /nfs/dbraw/zinc/27/42/37/807274237.db2.gz YHOVIZANDFTJGT-OLZOCXBDSA-N 1 2 263.372 3.437 20 30 CGEDLO CCCCCCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258045195 807274239 /nfs/dbraw/zinc/27/42/39/807274239.db2.gz YHOVIZANDFTJGT-OLZOCXBDSA-N 1 2 263.372 3.437 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](CCC)Cc1ccccc1)C(=O)OC ZINC001258651821 807523637 /nfs/dbraw/zinc/52/36/37/807523637.db2.gz HBTNASWIUBONRZ-JKSUJKDBSA-N 1 2 275.392 3.105 20 30 CGEDLO C#C[C@@](C)(CC)Nc1cc2ccc(OC)cc2c[nH+]1 ZINC001169691860 807688308 /nfs/dbraw/zinc/68/83/08/807688308.db2.gz GXXXKPLVESTEQP-INIZCTEOSA-N 1 2 254.333 3.457 20 30 CGEDLO Cc1cc(NC2CC2)nc(NC2=CC(=O)CC(C)(C)C2)[nH+]1 ZINC001169951537 807728542 /nfs/dbraw/zinc/72/85/42/807728542.db2.gz RCGBUDODHCJJPQ-UHFFFAOYSA-N 1 2 286.379 3.044 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171117839 807990198 /nfs/dbraw/zinc/99/01/98/807990198.db2.gz ZMCVREFSUNUROZ-GJZGRUSLSA-N 1 2 260.768 3.185 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171117839 807990202 /nfs/dbraw/zinc/99/02/02/807990202.db2.gz ZMCVREFSUNUROZ-GJZGRUSLSA-N 1 2 260.768 3.185 20 30 CGEDLO COc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)ccc1C#N ZINC001264803840 808095350 /nfs/dbraw/zinc/09/53/50/808095350.db2.gz FTDUZGLXACMNKH-UHFFFAOYSA-N 1 2 295.342 3.139 20 30 CGEDLO CCCCCCCC[C@H](CC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172504386 808361383 /nfs/dbraw/zinc/36/13/83/808361383.db2.gz FGCJPAXTISLBGK-DOTOQJQBSA-N 1 2 299.455 3.437 20 30 CGEDLO CCCCCCC[C@@H](CCC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172508105 808364891 /nfs/dbraw/zinc/36/48/91/808364891.db2.gz GFYXDBQYZPWDPJ-NVXWUHKLSA-N 1 2 299.455 3.437 20 30 CGEDLO C#Cc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1F ZINC001213032002 815205752 /nfs/dbraw/zinc/20/57/52/815205752.db2.gz SXWPZFKASWCVGC-UHFFFAOYSA-N 1 2 251.264 3.427 20 30 CGEDLO N#Cc1cc(Nc2cccc3[nH+]c[nH]c32)cc(F)c1F ZINC001213033711 815206706 /nfs/dbraw/zinc/20/67/06/815206706.db2.gz TTYWPKYJNWITKG-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C#Cc1cc(Nc2ccc3sc(C)nc3c2)cc[nH+]1 ZINC001213035644 815207801 /nfs/dbraw/zinc/20/78/01/815207801.db2.gz YTENSIVIUKBILZ-UHFFFAOYSA-N 1 2 265.341 3.147 20 30 CGEDLO N#C[C@@H]1CCCC[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173048620 808499719 /nfs/dbraw/zinc/49/97/19/808499719.db2.gz SGXGNSXFWSSPTK-HNNXBMFYSA-N 1 2 262.397 3.104 20 30 CGEDLO N#C[C@@H]1CCCC[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173048620 808499722 /nfs/dbraw/zinc/49/97/22/808499722.db2.gz SGXGNSXFWSSPTK-HNNXBMFYSA-N 1 2 262.397 3.104 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001268446750 808587581 /nfs/dbraw/zinc/58/75/81/808587581.db2.gz KQFBOSMGIKMMFA-KDOFPFPSSA-N 1 2 286.419 3.150 20 30 CGEDLO C=CCOC1CCC([NH2+][C@@](C)(C#N)CC(C)C)CC1 ZINC001173317352 808608897 /nfs/dbraw/zinc/60/88/97/808608897.db2.gz GDJSRPIJRUUTGH-UYSNPLJNSA-N 1 2 264.413 3.418 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001268734852 808617695 /nfs/dbraw/zinc/61/76/95/808617695.db2.gz BFXJEZZFYTXEHW-STQMWFEESA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001268734852 808617702 /nfs/dbraw/zinc/61/77/02/808617702.db2.gz BFXJEZZFYTXEHW-STQMWFEESA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H](C)CC ZINC001275963953 808981256 /nfs/dbraw/zinc/98/12/56/808981256.db2.gz WMLDRBFCGFULOS-AAEUAGOBSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H](C)CC ZINC001275963953 808981254 /nfs/dbraw/zinc/98/12/54/808981254.db2.gz WMLDRBFCGFULOS-AAEUAGOBSA-N 1 2 274.836 3.002 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(Cl)c1 ZINC001175141220 809286994 /nfs/dbraw/zinc/28/69/94/809286994.db2.gz WWGBLIIXOBRLKG-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(Cl)c1 ZINC001175141220 809286998 /nfs/dbraw/zinc/28/69/98/809286998.db2.gz WWGBLIIXOBRLKG-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1cc(Nc2cc(OC(F)(F)F)cc[nH+]2)ccc1N ZINC001213433781 815280850 /nfs/dbraw/zinc/28/08/50/815280850.db2.gz LLMAIKGTZFLRCW-UHFFFAOYSA-N 1 2 294.236 3.178 20 30 CGEDLO N#Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1N ZINC001213436976 815281809 /nfs/dbraw/zinc/28/18/09/815281809.db2.gz HNNSLSAJQRRGJR-UHFFFAOYSA-N 1 2 289.342 3.129 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ccc(N)cc1C#N ZINC001213500911 815291919 /nfs/dbraw/zinc/29/19/19/815291919.db2.gz CBSJCZCMSSJZSB-UHFFFAOYSA-N 1 2 264.332 3.465 20 30 CGEDLO N#Cc1cc(F)cc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001175682292 809502260 /nfs/dbraw/zinc/50/22/60/809502260.db2.gz KJMMOKWLXSZSRU-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c(F)c1 ZINC001175712705 809517013 /nfs/dbraw/zinc/51/70/13/809517013.db2.gz HPMOCYHZGWBQOY-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO COc1cccc(C#N)c1Nc1c[nH+]c(C)cc1C ZINC001213515986 815295665 /nfs/dbraw/zinc/29/56/65/815295665.db2.gz WVDMOKQOJIIIGL-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1c(F)cccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750292 809757719 /nfs/dbraw/zinc/75/77/19/809757719.db2.gz AYNWVMDMKWNWHJ-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2c(F)cc(F)cc2F)cs1 ZINC001179541758 809928720 /nfs/dbraw/zinc/92/87/20/809928720.db2.gz QYCSPLCKZIKGSX-UHFFFAOYSA-N 1 2 282.290 3.327 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1cc(F)cc(F)c1O ZINC001184188913 810181744 /nfs/dbraw/zinc/18/17/44/810181744.db2.gz QCVXPRSISQOIQU-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1cc(F)cc(F)c1O ZINC001184188913 810181746 /nfs/dbraw/zinc/18/17/46/810181746.db2.gz QCVXPRSISQOIQU-UHFFFAOYSA-N 1 2 255.308 3.459 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC001192955821 810835553 /nfs/dbraw/zinc/83/55/53/810835553.db2.gz KQQVBNPBJQFSRP-INIZCTEOSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC001192955821 810835559 /nfs/dbraw/zinc/83/55/59/810835559.db2.gz KQQVBNPBJQFSRP-INIZCTEOSA-N 1 2 291.391 3.023 20 30 CGEDLO CCCCCCCCCOC(=O)NCCc1cn(C)c[nH+]1 ZINC001194919403 811170442 /nfs/dbraw/zinc/17/04/42/811170442.db2.gz BXZOTRNSZNHLCB-UHFFFAOYSA-N 1 2 295.427 3.439 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2ncc(C#N)cc2Cl)c1 ZINC001203654608 812417443 /nfs/dbraw/zinc/41/74/43/812417443.db2.gz MNOVFBPVPGWBTG-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO COc1cccc(C#N)c1Nc1cc(C)c[nH+]c1C ZINC001203663927 812422216 /nfs/dbraw/zinc/42/22/16/812422216.db2.gz ZMPSLKFKCVQZBC-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3cccc(Cl)c3)CC[C@H]2S1 ZINC001203797742 812463689 /nfs/dbraw/zinc/46/36/89/812463689.db2.gz PKDCFBXZSVMLPS-CYBMUJFWSA-N 1 2 279.792 3.114 20 30 CGEDLO O=C1C=C2C[N@@H+](Cc3cccc(Cl)c3)CC[C@H]2S1 ZINC001203797742 812463693 /nfs/dbraw/zinc/46/36/93/812463693.db2.gz PKDCFBXZSVMLPS-CYBMUJFWSA-N 1 2 279.792 3.114 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC001204498862 812656858 /nfs/dbraw/zinc/65/68/58/812656858.db2.gz UCRFFQBYMKMCQM-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC001204498862 812656865 /nfs/dbraw/zinc/65/68/65/812656865.db2.gz UCRFFQBYMKMCQM-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO N#Cc1cc(F)c(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204990716 812812278 /nfs/dbraw/zinc/81/22/78/812812278.db2.gz FHOBRPUNOYTFAD-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO C#CC[N@H+](Cc1ccnn1CC1CCC1)Cc1ccccc1 ZINC001205740984 813064964 /nfs/dbraw/zinc/06/49/64/813064964.db2.gz OKDXGWMNIIKXNL-UHFFFAOYSA-N 1 2 293.414 3.319 20 30 CGEDLO C#CC[N@@H+](Cc1ccnn1CC1CCC1)Cc1ccccc1 ZINC001205740984 813064968 /nfs/dbraw/zinc/06/49/68/813064968.db2.gz OKDXGWMNIIKXNL-UHFFFAOYSA-N 1 2 293.414 3.319 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001206927227 813458279 /nfs/dbraw/zinc/45/82/79/813458279.db2.gz QYOBPERNFXBAFB-OUCADQQQSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001206927227 813458284 /nfs/dbraw/zinc/45/82/84/813458284.db2.gz QYOBPERNFXBAFB-OUCADQQQSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(=O)OCC ZINC001207334946 813543263 /nfs/dbraw/zinc/54/32/63/813543263.db2.gz VVQRNVYCYKFCCO-RDBSUJKOSA-N 1 2 285.453 3.004 20 30 CGEDLO C=C(C)C[C@H]([NH2+]CCc1ccc(C)cc1)C(=O)OCC ZINC001207334632 813543503 /nfs/dbraw/zinc/54/35/03/813543503.db2.gz SKNDBOXAEDEKJI-INIZCTEOSA-N 1 2 275.392 3.025 20 30 CGEDLO CCCCCCC/C=C/C[N@H+](C)[C@H](C)C(=O)OC ZINC001208118461 813695822 /nfs/dbraw/zinc/69/58/22/813695822.db2.gz IAMSCIDQXBUZPS-GCZGRYASSA-N 1 2 255.402 3.396 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+](C)[C@H](C)C(=O)OC ZINC001208118461 813695823 /nfs/dbraw/zinc/69/58/23/813695823.db2.gz IAMSCIDQXBUZPS-GCZGRYASSA-N 1 2 255.402 3.396 20 30 CGEDLO CC/C=C\CCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208134976 813701718 /nfs/dbraw/zinc/70/17/18/813701718.db2.gz VHXSHRGVJZWBLK-SCOBNMCVSA-N 1 2 251.395 3.007 20 30 CGEDLO CC/C=C\CCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001208134976 813701721 /nfs/dbraw/zinc/70/17/21/813701721.db2.gz VHXSHRGVJZWBLK-SCOBNMCVSA-N 1 2 251.395 3.007 20 30 CGEDLO CCCC[N@H+](CCC#N)CCN(CC)C(=O)OC(C)(C)C ZINC001208575505 813768224 /nfs/dbraw/zinc/76/82/24/813768224.db2.gz UZFRFWQMAGRHGE-UHFFFAOYSA-N 1 2 297.443 3.259 20 30 CGEDLO CCCC[N@@H+](CCC#N)CCN(CC)C(=O)OC(C)(C)C ZINC001208575505 813768227 /nfs/dbraw/zinc/76/82/27/813768227.db2.gz UZFRFWQMAGRHGE-UHFFFAOYSA-N 1 2 297.443 3.259 20 30 CGEDLO N#Cc1ccc(Cl)nc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209844769 814161755 /nfs/dbraw/zinc/16/17/55/814161755.db2.gz PCQFHTHWJDDIIC-UHFFFAOYSA-N 1 2 269.695 3.227 20 30 CGEDLO N#Cc1ccccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001210740206 814604649 /nfs/dbraw/zinc/60/46/49/814604649.db2.gz UDBUELPTCYAFPC-UHFFFAOYSA-N 1 2 260.300 3.488 20 30 CGEDLO COc1cc(Nc2c(F)ccc(F)c2C#N)cc(C)[nH+]1 ZINC001210783569 814627739 /nfs/dbraw/zinc/62/77/39/814627739.db2.gz GCPIUIADLZVKLV-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(F)cc2Cl)cc[nH+]1 ZINC001216368813 815799669 /nfs/dbraw/zinc/79/96/69/815799669.db2.gz CQWCWUCJZOZVNR-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO CCCCCCCCC[C@H](C)OC[C@@H]([NH3+])C(=O)OC ZINC001217897291 815996165 /nfs/dbraw/zinc/99/61/65/815996165.db2.gz ONUHDLBIAVMWLM-UONOGXRCSA-N 1 2 273.417 3.033 20 30 CGEDLO N#Cc1ccc2cc(O[C@@H]3C[NH2+]CC(F)(F)C3)ccc2c1 ZINC001218274194 816148679 /nfs/dbraw/zinc/14/86/79/816148679.db2.gz OVDXEPFSTRQKED-HNNXBMFYSA-N 1 2 288.297 3.087 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001221479084 816317575 /nfs/dbraw/zinc/31/75/75/816317575.db2.gz NJAAAOUORTVFKR-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001221479084 816317581 /nfs/dbraw/zinc/31/75/81/816317581.db2.gz NJAAAOUORTVFKR-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001221521615 816318818 /nfs/dbraw/zinc/31/88/18/816318818.db2.gz UXFHAFIOEPXROD-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001221521615 816318822 /nfs/dbraw/zinc/31/88/22/816318822.db2.gz UXFHAFIOEPXROD-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO CCC[C@H](C#Cc1ccccc1)OCCn1cc[nH+]c1 ZINC001222139429 816358627 /nfs/dbraw/zinc/35/86/27/816358627.db2.gz RJGNNZUZBJBEAH-QGZVFWFLSA-N 1 2 268.360 3.120 20 30 CGEDLO C=CCCCOC1CC[NH+](CC(=O)c2cccs2)CC1 ZINC001224511522 816816659 /nfs/dbraw/zinc/81/66/59/816816659.db2.gz PDOUSGUHUXXBGN-UHFFFAOYSA-N 1 2 293.432 3.378 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001231521237 818118628 /nfs/dbraw/zinc/11/86/28/818118628.db2.gz BMVRQTBNBWLFOI-UHFFFAOYSA-N 1 2 284.281 3.147 20 30 CGEDLO COc1cc(F)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001231602429 818135418 /nfs/dbraw/zinc/13/54/18/818135418.db2.gz PNXOITNFDQGFJL-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO COc1cc(F)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001231602429 818135421 /nfs/dbraw/zinc/13/54/21/818135421.db2.gz PNXOITNFDQGFJL-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(=O)[nH]n1)C1CCCCCCC1 ZINC001232023943 818235218 /nfs/dbraw/zinc/23/52/18/818235218.db2.gz GUIFUKFFFGJKBQ-UHFFFAOYSA-N 1 2 288.395 3.011 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(=O)[nH]n1)C1CCCCCCC1 ZINC001232023943 818235225 /nfs/dbraw/zinc/23/52/25/818235225.db2.gz GUIFUKFFFGJKBQ-UHFFFAOYSA-N 1 2 288.395 3.011 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232213368 818280326 /nfs/dbraw/zinc/28/03/26/818280326.db2.gz FFRYBZXGCUDGFT-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232213368 818280332 /nfs/dbraw/zinc/28/03/32/818280332.db2.gz FFRYBZXGCUDGFT-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001232606313 818393803 /nfs/dbraw/zinc/39/38/03/818393803.db2.gz NXNGSOYXGRMLKV-MLGOLLRUSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001232606313 818393807 /nfs/dbraw/zinc/39/38/07/818393807.db2.gz NXNGSOYXGRMLKV-MLGOLLRUSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)CCC1(F)F ZINC001232673688 818415152 /nfs/dbraw/zinc/41/51/52/818415152.db2.gz LCAIKOVFBZBZJF-NSHDSACASA-N 1 2 280.318 3.131 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)CCC1(F)F ZINC001232673688 818415156 /nfs/dbraw/zinc/41/51/56/818415156.db2.gz LCAIKOVFBZBZJF-NSHDSACASA-N 1 2 280.318 3.131 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232679072 818417114 /nfs/dbraw/zinc/41/71/14/818417114.db2.gz ZMEJGQCRNJPBJT-UHFFFAOYSA-N 1 2 278.355 3.452 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232679072 818417119 /nfs/dbraw/zinc/41/71/19/818417119.db2.gz ZMEJGQCRNJPBJT-UHFFFAOYSA-N 1 2 278.355 3.452 20 30 CGEDLO CC[N@H+](Cc1cccc(C#N)n1)Cc1cccc(F)c1F ZINC001232926575 818475435 /nfs/dbraw/zinc/47/54/35/818475435.db2.gz UMWNXOHXVVAWSA-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1cccc(C#N)n1)Cc1cccc(F)c1F ZINC001232926575 818475439 /nfs/dbraw/zinc/47/54/39/818475439.db2.gz UMWNXOHXVVAWSA-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccnc2C)c(C#N)c1 ZINC001232969079 818485891 /nfs/dbraw/zinc/48/58/91/818485891.db2.gz XNTSQEPHYJAKQA-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccnc2C)c(C#N)c1 ZINC001232969079 818485894 /nfs/dbraw/zinc/48/58/94/818485894.db2.gz XNTSQEPHYJAKQA-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001233047146 818506954 /nfs/dbraw/zinc/50/69/54/818506954.db2.gz PTCOEPWZVUEDMU-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001233047146 818506962 /nfs/dbraw/zinc/50/69/62/818506962.db2.gz PTCOEPWZVUEDMU-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO Cc1ccc(O[C@H]2CCC[N@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233045928 818508286 /nfs/dbraw/zinc/50/82/86/818508286.db2.gz ZCGMMIVHWSTOIE-KRWDZBQOSA-N 1 2 295.386 3.238 20 30 CGEDLO Cc1ccc(O[C@H]2CCC[N@@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233045928 818508292 /nfs/dbraw/zinc/50/82/92/818508292.db2.gz ZCGMMIVHWSTOIE-KRWDZBQOSA-N 1 2 295.386 3.238 20 30 CGEDLO COc1cc(F)c(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC001233344061 818590046 /nfs/dbraw/zinc/59/00/46/818590046.db2.gz LVDIWGYSBQPZHI-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO CCOC(=[NH2+])c1ccc(OC2=C(CC)O[C@H](C)C2=O)cc1 ZINC001234588393 818887649 /nfs/dbraw/zinc/88/76/49/818887649.db2.gz NNELXYUALVRGRM-SNVBAGLBSA-N 1 2 289.331 3.037 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(F)c1F ZINC001235451013 819102831 /nfs/dbraw/zinc/10/28/31/819102831.db2.gz MRGSWGQVNWWAKE-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(F)c1F ZINC001235451013 819102835 /nfs/dbraw/zinc/10/28/35/819102835.db2.gz MRGSWGQVNWWAKE-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cccn1C(=O)OC(C)(C)C ZINC001235633279 819128591 /nfs/dbraw/zinc/12/85/91/819128591.db2.gz XCXZLQUOJUHUKO-UHFFFAOYSA-N 1 2 276.380 3.445 20 30 CGEDLO N#CCc1ccc(C(F)(F)F)cc1-c1ccc(N)[nH+]c1 ZINC001236317602 819422456 /nfs/dbraw/zinc/42/24/56/819422456.db2.gz SPNAECXRTRNWTC-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO Cc1cn2c(cccc2-c2ccc(C#N)cc2F)[nH+]1 ZINC001236525619 819516788 /nfs/dbraw/zinc/51/67/88/819516788.db2.gz PAYSDGXKFMXBJQ-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO Cc1cc(-c2ccc(C#N)cc2F)c2[nH+]ccn2c1 ZINC001236530082 819521693 /nfs/dbraw/zinc/52/16/93/819521693.db2.gz CXWOEEHTQFPBAL-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(O)c1Cl ZINC001236806877 819601713 /nfs/dbraw/zinc/60/17/13/819601713.db2.gz KFYWUXDDRCGEBJ-UHFFFAOYSA-N 1 2 294.782 3.180 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237126515 819673294 /nfs/dbraw/zinc/67/32/94/819673294.db2.gz MHIBFSWCWCBCQN-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237126515 819673299 /nfs/dbraw/zinc/67/32/99/819673299.db2.gz MHIBFSWCWCBCQN-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO Cn1cc(C[N@H+](C)Cc2nccs2)c2cc(C#N)ccc21 ZINC001237473460 819758957 /nfs/dbraw/zinc/75/89/57/819758957.db2.gz KBTBDAVJZKYJBM-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cn1cc(C[N@@H+](C)Cc2nccs2)c2cc(C#N)ccc21 ZINC001237473460 819758959 /nfs/dbraw/zinc/75/89/59/819758959.db2.gz KBTBDAVJZKYJBM-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237526053 819772060 /nfs/dbraw/zinc/77/20/60/819772060.db2.gz LVIXKMZFXVVTNH-UHFFFAOYSA-N 1 2 297.308 3.340 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)c(F)cc1F ZINC001237526053 819772065 /nfs/dbraw/zinc/77/20/65/819772065.db2.gz LVIXKMZFXVVTNH-UHFFFAOYSA-N 1 2 297.308 3.340 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001237994035 819905192 /nfs/dbraw/zinc/90/51/92/819905192.db2.gz ZUNMDGULUFNVMP-UHFFFAOYSA-N 1 2 267.731 3.030 20 30 CGEDLO N#CCC1C[NH+](Cc2cccc(-c3cccs3)n2)C1 ZINC001238203496 819956576 /nfs/dbraw/zinc/95/65/76/819956576.db2.gz DLVMIZHRTMMCHC-UHFFFAOYSA-N 1 2 269.373 3.156 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)ncc1Cl ZINC001238420531 819990445 /nfs/dbraw/zinc/99/04/45/819990445.db2.gz AETZRNACHAIGBS-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)cn1 ZINC001238801191 820125643 /nfs/dbraw/zinc/12/56/43/820125643.db2.gz CIDRYVZDBVBNFD-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)cn1 ZINC001238801191 820125648 /nfs/dbraw/zinc/12/56/48/820125648.db2.gz CIDRYVZDBVBNFD-CYBMUJFWSA-N 1 2 291.370 3.134 20 30 CGEDLO N#Cc1ccc(/C=C/c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001239304228 820257352 /nfs/dbraw/zinc/25/73/52/820257352.db2.gz MZNZVQAZJPXKRP-VMPITWQZSA-N 1 2 261.328 3.482 20 30 CGEDLO N#Cc1nc2[nH]ccc2cc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243659156 823477852 /nfs/dbraw/zinc/47/78/52/823477852.db2.gz LWRWNLFXPDXWSM-UHFFFAOYSA-N 1 2 299.337 3.298 20 30 CGEDLO N#Cc1c(F)cc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1F ZINC001239921740 820700086 /nfs/dbraw/zinc/70/00/86/820700086.db2.gz RDLHRAXRYNHPJT-UHFFFAOYSA-N 1 2 296.280 3.143 20 30 CGEDLO Cc1ccncc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001239976289 820753792 /nfs/dbraw/zinc/75/37/92/820753792.db2.gz VSCNOJRJVZQZET-YBFXNURJSA-N 1 2 264.332 3.150 20 30 CGEDLO N#Cc1ncc(-c2ccn3cc[nH+]c3c2)cc1C(F)(F)F ZINC001240508506 821103555 /nfs/dbraw/zinc/10/35/55/821103555.db2.gz ABNYHPSXSNKNHF-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO Cc1cc(C)c(C#N)c(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241227830 821652479 /nfs/dbraw/zinc/65/24/79/821652479.db2.gz DMCNPCVSHRFBPO-UHFFFAOYSA-N 1 2 266.348 3.007 20 30 CGEDLO COc1cc(C#N)ccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001241403947 821800155 /nfs/dbraw/zinc/80/01/55/821800155.db2.gz ZQRWVIJEUGQLOE-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO Cc1cn2c(cccc2-c2cc(F)cc(C#N)c2)[nH+]1 ZINC001241657571 822034235 /nfs/dbraw/zinc/03/42/35/822034235.db2.gz WMJLRNVVJVUOSH-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(CO)c(F)c2)cc1C#N ZINC001242533461 823022515 /nfs/dbraw/zinc/02/25/15/823022515.db2.gz WBMJKEUKHZOCRL-RGVLZGJSSA-N 1 2 297.333 3.078 20 30 CGEDLO C=C(CC(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001346217361 936842609 /nfs/dbraw/zinc/84/26/09/936842609.db2.gz BWHHGKODYJCNIQ-CQSZACIVSA-N 1 2 277.412 3.016 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2c(c(C)ccc2O)[C@@H]1C ZINC001350598982 936995295 /nfs/dbraw/zinc/99/52/95/936995295.db2.gz FARVLDJIKMKKNN-ZTFCMROMSA-N 1 2 282.343 3.300 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001481192510 926906097 /nfs/dbraw/zinc/90/60/97/926906097.db2.gz WEYRUGAYGPZJIF-GOEBONIOSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001481192510 926906103 /nfs/dbraw/zinc/90/61/03/926906103.db2.gz WEYRUGAYGPZJIF-GOEBONIOSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001483402182 927499438 /nfs/dbraw/zinc/49/94/38/927499438.db2.gz UTLCRVBDZQTSLJ-HIFRSBDPSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001483402182 927499451 /nfs/dbraw/zinc/49/94/51/927499451.db2.gz UTLCRVBDZQTSLJ-HIFRSBDPSA-N 1 2 288.863 3.392 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCC1=CC[N@H+](CC(=C)Cl)CC1 ZINC001486512795 928029576 /nfs/dbraw/zinc/02/95/76/928029576.db2.gz ALRCWQQZEDELHS-CQSZACIVSA-N 1 2 296.842 3.090 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](CC(=C)Cl)CC1 ZINC001486512795 928029589 /nfs/dbraw/zinc/02/95/89/928029589.db2.gz ALRCWQQZEDELHS-CQSZACIVSA-N 1 2 296.842 3.090 20 30 CGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001171208597 928201930 /nfs/dbraw/zinc/20/19/30/928201930.db2.gz DRGAKMWDHXKPGB-RISCZKNCSA-N 1 2 282.309 3.168 20 30 CGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001171208597 928201943 /nfs/dbraw/zinc/20/19/43/928201943.db2.gz DRGAKMWDHXKPGB-RISCZKNCSA-N 1 2 282.309 3.168 20 30 CGEDLO COc1ccc(C#N)cc1Nc1cccn2cc(C)[nH+]c12 ZINC001201577931 928281733 /nfs/dbraw/zinc/28/17/33/928281733.db2.gz BMYWBYQWWAXRCH-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO C#CC[N@@H+](Cc1cc(OC)ccc1Br)C(C)C ZINC001460812658 937546549 /nfs/dbraw/zinc/54/65/49/937546549.db2.gz DIRQJAWFPWWWHT-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO C#CC[N@H+](Cc1cc(OC)ccc1Br)C(C)C ZINC001460812658 937546552 /nfs/dbraw/zinc/54/65/52/937546552.db2.gz DIRQJAWFPWWWHT-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO C#C[C@H]1CCC[C@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080895 932674178 /nfs/dbraw/zinc/67/41/78/932674178.db2.gz ILIFCSSYAJQUMH-SWLSCSKDSA-N 1 2 252.317 3.257 20 30 CGEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(O)c(C#N)c2)cc1F ZINC001242566082 932703320 /nfs/dbraw/zinc/70/33/20/932703320.db2.gz IDDJGYHKMHDNCA-UHFFFAOYSA-N 1 2 288.297 3.271 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1cccc(C#N)c1F ZINC001245068762 932710036 /nfs/dbraw/zinc/71/00/36/932710036.db2.gz LCLUVUGMBWWJJZ-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1cc(C#N)ccn1)c1nc(C)cs1 ZINC001307561915 932969881 /nfs/dbraw/zinc/96/98/81/932969881.db2.gz NNLBRHCSMRKZJA-OAHLLOKOSA-N 1 2 286.404 3.133 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccc(F)cc1F)C1CC1 ZINC001307617767 932977776 /nfs/dbraw/zinc/97/77/76/932977776.db2.gz GBNLAYKEOJAKOT-BZNIZROVSA-N 1 2 289.329 3.449 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1 ZINC001308141495 933057334 /nfs/dbraw/zinc/05/73/34/933057334.db2.gz KRFYAZMFQIJIDZ-GFCCVEGCSA-N 1 2 256.374 3.284 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2s1 ZINC001308141495 933057337 /nfs/dbraw/zinc/05/73/37/933057337.db2.gz KRFYAZMFQIJIDZ-GFCCVEGCSA-N 1 2 256.374 3.284 20 30 CGEDLO C=CCn1ncc2ccc(NCc3c[nH+]cn3CCC)cc21 ZINC001308536698 933127093 /nfs/dbraw/zinc/12/70/93/933127093.db2.gz ILALPTDLSWRQSQ-UHFFFAOYSA-N 1 2 295.390 3.441 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308768772 933172822 /nfs/dbraw/zinc/17/28/22/933172822.db2.gz AROXMHUGPWMUDD-DOTOQJQBSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001308917041 933202999 /nfs/dbraw/zinc/20/29/99/933202999.db2.gz FNFPITLUWAAWFN-CZUORRHYSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001316991420 933465650 /nfs/dbraw/zinc/46/56/50/933465650.db2.gz HVECEDWUQOVOKD-KGLIPLIRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001316991420 933465655 /nfs/dbraw/zinc/46/56/55/933465655.db2.gz HVECEDWUQOVOKD-KGLIPLIRSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)Cl ZINC001317172893 933548419 /nfs/dbraw/zinc/54/84/19/933548419.db2.gz GOLXTYUQJDKQBL-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)Cl ZINC001317172893 933548425 /nfs/dbraw/zinc/54/84/25/933548425.db2.gz GOLXTYUQJDKQBL-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1c(Cl)cccc1N(C)C ZINC001320707853 934090464 /nfs/dbraw/zinc/09/04/64/934090464.db2.gz HUARJSXNAWYAKL-UHFFFAOYSA-N 1 2 282.815 3.040 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1c(Cl)cccc1N(C)C ZINC001320707853 934090471 /nfs/dbraw/zinc/09/04/71/934090471.db2.gz HUARJSXNAWYAKL-UHFFFAOYSA-N 1 2 282.815 3.040 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OCC ZINC001321965924 934228308 /nfs/dbraw/zinc/22/83/08/934228308.db2.gz GFHGGRKSVUEYRL-HOTGVXAUSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CCCCC(=O)N(C)C1C[NH+](Cc2csc(C)c2)C1 ZINC001323970454 934445058 /nfs/dbraw/zinc/44/50/58/934445058.db2.gz UPAUECRPUQIOHK-UHFFFAOYSA-N 1 2 292.448 3.055 20 30 CGEDLO Cc1ccc(CSc2cccnc2C#N)c(C)[nH+]1 ZINC001473031094 937790926 /nfs/dbraw/zinc/79/09/26/937790926.db2.gz IEZLBGHYJAKOKD-UHFFFAOYSA-N 1 2 255.346 3.257 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001473209033 937797675 /nfs/dbraw/zinc/79/76/75/937797675.db2.gz KVSYLNVIUGZMPC-HKUYNNGSSA-N 1 2 299.414 3.084 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001473209033 937797677 /nfs/dbraw/zinc/79/76/77/937797677.db2.gz KVSYLNVIUGZMPC-HKUYNNGSSA-N 1 2 299.414 3.084 20 30 CGEDLO Cc1c[nH+]c2ccccc2c1N1CC[C@@](C)(C#N)C1 ZINC001327725528 935081423 /nfs/dbraw/zinc/08/14/23/935081423.db2.gz IBHCTIGFLZOJRW-INIZCTEOSA-N 1 2 251.333 3.283 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc(C#N)c1O ZINC001329375389 935211001 /nfs/dbraw/zinc/21/10/01/935211001.db2.gz LADQDQUOZWRCJD-PCGAWMICSA-N 1 2 292.329 3.348 20 30 CGEDLO Cc1noc([C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C(C)C)n1 ZINC001473906875 937829170 /nfs/dbraw/zinc/82/91/70/937829170.db2.gz UWHHTZLBPROBMC-MRXNPFEDSA-N 1 2 298.390 3.353 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001494605719 937955300 /nfs/dbraw/zinc/95/53/00/937955300.db2.gz BQJXEFXDSFOUHW-HNNXBMFYSA-N 1 2 286.847 3.003 20 30 CGEDLO Cc1[nH]c([C@@H]2CCCN2C(=O)CCCCCC#N)[nH+]c1C ZINC001558353900 938214822 /nfs/dbraw/zinc/21/48/22/938214822.db2.gz UIBYJILRUIBRQX-AWEZNQCLSA-N 1 2 288.395 3.164 20 30 CGEDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ncc1C#N ZINC001559087400 938220077 /nfs/dbraw/zinc/22/00/77/938220077.db2.gz LFHSKMGHTSNKPH-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001559178004 938221785 /nfs/dbraw/zinc/22/17/85/938221785.db2.gz VEHDOEXZBKUFMT-HOCLYGCPSA-N 1 2 287.407 3.446 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001559580843 938230252 /nfs/dbraw/zinc/23/02/52/938230252.db2.gz RDGWWBRWAHVTHR-KGLIPLIRSA-N 1 2 293.411 3.047 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001559580843 938230253 /nfs/dbraw/zinc/23/02/53/938230253.db2.gz RDGWWBRWAHVTHR-KGLIPLIRSA-N 1 2 293.411 3.047 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001560232881 938248195 /nfs/dbraw/zinc/24/81/95/938248195.db2.gz KPJKPHAAYYXPON-INIZCTEOSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@]12CCOC2 ZINC001560232881 938248196 /nfs/dbraw/zinc/24/81/96/938248196.db2.gz KPJKPHAAYYXPON-INIZCTEOSA-N 1 2 290.794 3.357 20 30 CGEDLO C#CCN(Cc1c[nH+]cn1CCC)Cc1ccc(F)cc1 ZINC001560657423 938268076 /nfs/dbraw/zinc/26/80/76/938268076.db2.gz LYEKXSMJEPCUEQ-UHFFFAOYSA-N 1 2 285.366 3.068 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1F ZINC001560821915 938278037 /nfs/dbraw/zinc/27/80/37/938278037.db2.gz GFTWFNJLSIXXJS-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1F ZINC001560821915 938278038 /nfs/dbraw/zinc/27/80/38/938278038.db2.gz GFTWFNJLSIXXJS-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)C(=O)OCC ZINC001560967809 938287052 /nfs/dbraw/zinc/28/70/52/938287052.db2.gz PSUCFFGLUXDZRN-XDQVBPFNSA-N 1 2 285.815 3.229 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001560968323 938287190 /nfs/dbraw/zinc/28/71/90/938287190.db2.gz ZKEUZWBDXSFDQR-ZACQAIPSSA-N 1 2 287.403 3.420 20 30 CGEDLO Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1-n1cc[nH+]c1 ZINC001565581572 960787648 /nfs/dbraw/zinc/78/76/48/960787648.db2.gz NDCGKGKBVURUKY-UHFFFAOYSA-N 1 2 294.358 3.059 20 30 CGEDLO C=CCC(C)(C)C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001567808419 961438005 /nfs/dbraw/zinc/43/80/05/961438005.db2.gz SOQCVNDUQFPUPH-CQSZACIVSA-N 1 2 286.419 3.150 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)C(CC)CC ZINC001568488435 961591678 /nfs/dbraw/zinc/59/16/78/961591678.db2.gz ZXLHMYLFFPABTB-ZDUSSCGKSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C(CC)CC ZINC001568488435 961591699 /nfs/dbraw/zinc/59/16/99/961591699.db2.gz ZXLHMYLFFPABTB-ZDUSSCGKSA-N 1 2 288.863 3.201 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001570745941 962070283 /nfs/dbraw/zinc/07/02/83/962070283.db2.gz OCPZIFICPSAVAM-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001570745941 962070300 /nfs/dbraw/zinc/07/03/00/962070300.db2.gz OCPZIFICPSAVAM-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C#CC[C@]1(C(=O)Oc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC001574525771 962314220 /nfs/dbraw/zinc/31/42/20/962314220.db2.gz RXGKIRCPCLEACI-CQSZACIVSA-N 1 2 298.169 3.044 20 30 CGEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000350998318 219073387 /nfs/dbraw/zinc/07/33/87/219073387.db2.gz WJEOMEOFOMEVHM-CYBMUJFWSA-N 1 2 297.171 3.255 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000350998318 219073390 /nfs/dbraw/zinc/07/33/90/219073390.db2.gz WJEOMEOFOMEVHM-CYBMUJFWSA-N 1 2 297.171 3.255 20 30 CGEDLO COc1ccccc1C[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592061071 346958455 /nfs/dbraw/zinc/95/84/55/346958455.db2.gz RCMSNGRPCSSNSB-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccccc1C[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592061071 346958457 /nfs/dbraw/zinc/95/84/57/346958457.db2.gz RCMSNGRPCSSNSB-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592188471 346970003 /nfs/dbraw/zinc/97/00/03/346970003.db2.gz RPOIUNUQGSNBFV-HOTGVXAUSA-N 1 2 283.371 3.107 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592188471 346970006 /nfs/dbraw/zinc/97/00/06/346970006.db2.gz RPOIUNUQGSNBFV-HOTGVXAUSA-N 1 2 283.371 3.107 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000592522494 346995828 /nfs/dbraw/zinc/99/58/28/346995828.db2.gz DISOXIZHTSBZGM-DZGCQCFKSA-N 1 2 281.363 3.070 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119149 347042359 /nfs/dbraw/zinc/04/23/59/347042359.db2.gz VCSUVCRWPLIAPO-CYBMUJFWSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119149 347042360 /nfs/dbraw/zinc/04/23/60/347042360.db2.gz VCSUVCRWPLIAPO-CYBMUJFWSA-N 1 2 282.721 3.443 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593122382 347042730 /nfs/dbraw/zinc/04/27/30/347042730.db2.gz QINGSTSVSARHBW-KDOFPFPSSA-N 1 2 284.403 3.469 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593122382 347042734 /nfs/dbraw/zinc/04/27/34/347042734.db2.gz QINGSTSVSARHBW-KDOFPFPSSA-N 1 2 284.403 3.469 20 30 CGEDLO C[N@H+](Cc1cc2ccccc2o1)Cc1nc(C#N)cs1 ZINC000356100832 529980865 /nfs/dbraw/zinc/98/08/65/529980865.db2.gz BEEOKJPYORBIQG-UHFFFAOYSA-N 1 2 283.356 3.393 20 30 CGEDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1nc(C#N)cs1 ZINC000356100832 529980867 /nfs/dbraw/zinc/98/08/67/529980867.db2.gz BEEOKJPYORBIQG-UHFFFAOYSA-N 1 2 283.356 3.393 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1C#N ZINC000158436489 529993348 /nfs/dbraw/zinc/99/33/48/529993348.db2.gz ABOWWRATVMVUFP-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1C#N ZINC000158436489 529993349 /nfs/dbraw/zinc/99/33/49/529993349.db2.gz ABOWWRATVMVUFP-UHFFFAOYSA-N 1 2 279.318 3.201 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]/[C@H](C)CCc2ccccc2)c1O ZINC000005110610 344861079 /nfs/dbraw/zinc/86/10/79/344861079.db2.gz HDMIHIHADCKVPD-OTGIAGGSSA-N 1 2 298.386 3.028 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)on1 ZINC000047273724 345049795 /nfs/dbraw/zinc/04/97/95/345049795.db2.gz OBCNAFCISISQNA-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)on1 ZINC000047273724 345049797 /nfs/dbraw/zinc/04/97/97/345049797.db2.gz OBCNAFCISISQNA-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO CCC[N@@H+](CC#N)CCCOc1ccc(C)c(C)c1 ZINC000060565506 345220104 /nfs/dbraw/zinc/22/01/04/345220104.db2.gz YJBOFCNVAZHQAZ-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO CCC[N@H+](CC#N)CCCOc1ccc(C)c(C)c1 ZINC000060565506 345220109 /nfs/dbraw/zinc/22/01/09/345220109.db2.gz YJBOFCNVAZHQAZ-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(CCC)n1 ZINC000065959259 345282313 /nfs/dbraw/zinc/28/23/13/345282313.db2.gz COOQJIISEXLECB-UHFFFAOYSA-N 1 2 285.391 3.253 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(CCC)n1 ZINC000065959259 345282318 /nfs/dbraw/zinc/28/23/18/345282318.db2.gz COOQJIISEXLECB-UHFFFAOYSA-N 1 2 285.391 3.253 20 30 CGEDLO N#Cc1csc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000084261457 345731956 /nfs/dbraw/zinc/73/19/56/345731956.db2.gz MHNUMIBVJAPRAL-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCc2cn3cccc(C)c3[nH+]2)n1 ZINC000091628579 345819106 /nfs/dbraw/zinc/81/91/06/345819106.db2.gz VTYYORRVTMHBBZ-UHFFFAOYSA-N 1 2 291.358 3.138 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cc2ccccc2s1 ZINC000093099969 345868757 /nfs/dbraw/zinc/86/87/57/345868757.db2.gz FVAYKUCCLWLIQC-UHFFFAOYSA-N 1 2 274.389 3.263 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cc2ccccc2s1 ZINC000093099969 345868760 /nfs/dbraw/zinc/86/87/60/345868760.db2.gz FVAYKUCCLWLIQC-UHFFFAOYSA-N 1 2 274.389 3.263 20 30 CGEDLO Cc1ccc(C[NH2+]C[C@H](C)C#N)c(Br)c1 ZINC000129623367 346050931 /nfs/dbraw/zinc/05/09/31/346050931.db2.gz IONFTUQMYNJPJC-SNVBAGLBSA-N 1 2 267.170 3.007 20 30 CGEDLO COc1ccc[nH+]c1N[C@H](C)c1ccc(C#N)cc1 ZINC000169141369 346191878 /nfs/dbraw/zinc/19/18/78/346191878.db2.gz MPWLBLTZDDQBPS-LLVKDONJSA-N 1 2 253.305 3.135 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000624037001 349951914 /nfs/dbraw/zinc/95/19/14/349951914.db2.gz IFPBIPOSPCMAPG-GFCCVEGCSA-N 1 2 276.409 3.148 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Br)cn2)CCCC1 ZINC000593653051 347099473 /nfs/dbraw/zinc/09/94/73/347099473.db2.gz ZJBDRJPNKVSXBM-UHFFFAOYSA-N 1 2 294.196 3.018 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccc(OC)cc2)n1 ZINC000594011761 347136413 /nfs/dbraw/zinc/13/64/13/347136413.db2.gz PWKFWZCPENSACP-ZDUSSCGKSA-N 1 2 285.347 3.132 20 30 CGEDLO CC(C)(C#N)c1ccc(C[NH2+]CC(F)(F)C(F)F)cc1 ZINC000594615275 347203994 /nfs/dbraw/zinc/20/39/94/347203994.db2.gz RAEFUSMQJQRTRN-UHFFFAOYSA-N 1 2 288.288 3.478 20 30 CGEDLO C=CCC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000594989767 347250289 /nfs/dbraw/zinc/25/02/89/347250289.db2.gz WJHLLNPCIVAMHX-UHFFFAOYSA-N 1 2 276.336 3.279 20 30 CGEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1cc(C#N)cs1 ZINC000595001168 347252664 /nfs/dbraw/zinc/25/26/64/347252664.db2.gz RKSJWICKJPTNBX-UHFFFAOYSA-N 1 2 258.337 3.391 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595423957 347301445 /nfs/dbraw/zinc/30/14/45/347301445.db2.gz TVRJFALEVXATKR-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595423957 347301449 /nfs/dbraw/zinc/30/14/49/347301449.db2.gz TVRJFALEVXATKR-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595339461 347293791 /nfs/dbraw/zinc/29/37/91/347293791.db2.gz PIJJREANBQQVQQ-OIISXLGYSA-N 1 2 269.392 3.233 20 30 CGEDLO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595339461 347293794 /nfs/dbraw/zinc/29/37/94/347293794.db2.gz PIJJREANBQQVQQ-OIISXLGYSA-N 1 2 269.392 3.233 20 30 CGEDLO CCn1ccnc1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091956 347281340 /nfs/dbraw/zinc/28/13/40/347281340.db2.gz UAGHHPQJYAFAML-ZDUSSCGKSA-N 1 2 260.385 3.028 20 30 CGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611868 347326517 /nfs/dbraw/zinc/32/65/17/347326517.db2.gz ODAINCGERIBFAB-NWDGAFQWSA-N 1 2 276.384 3.054 20 30 CGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611868 347326521 /nfs/dbraw/zinc/32/65/21/347326521.db2.gz ODAINCGERIBFAB-NWDGAFQWSA-N 1 2 276.384 3.054 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000595615063 347327347 /nfs/dbraw/zinc/32/73/47/347327347.db2.gz OQEXYBXMJKYXET-CQSZACIVSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000595615063 347327350 /nfs/dbraw/zinc/32/73/50/347327350.db2.gz OQEXYBXMJKYXET-CQSZACIVSA-N 1 2 298.365 3.137 20 30 CGEDLO CC(C)c1nnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595635885 347331376 /nfs/dbraw/zinc/33/13/76/347331376.db2.gz OCTPMTXXNUTLAT-UHFFFAOYSA-N 1 2 284.363 3.090 20 30 CGEDLO CC[N@H+](CCCc1c(F)cccc1F)[C@@H](C)C#N ZINC000595817135 347359653 /nfs/dbraw/zinc/35/96/53/347359653.db2.gz HBQULWWKEINXQK-NSHDSACASA-N 1 2 252.308 3.131 20 30 CGEDLO CC[N@@H+](CCCc1c(F)cccc1F)[C@@H](C)C#N ZINC000595817135 347359656 /nfs/dbraw/zinc/35/96/56/347359656.db2.gz HBQULWWKEINXQK-NSHDSACASA-N 1 2 252.308 3.131 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000595759216 347351850 /nfs/dbraw/zinc/35/18/50/347351850.db2.gz JYCFWSNFWUJWMB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000595759216 347351852 /nfs/dbraw/zinc/35/18/52/347351852.db2.gz JYCFWSNFWUJWMB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595839120 347364464 /nfs/dbraw/zinc/36/44/64/347364464.db2.gz ZHTBUPGREQZGHS-OAHLLOKOSA-N 1 2 292.304 3.292 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595839120 347364467 /nfs/dbraw/zinc/36/44/67/347364467.db2.gz ZHTBUPGREQZGHS-OAHLLOKOSA-N 1 2 292.304 3.292 20 30 CGEDLO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1Cl ZINC000595841088 347365799 /nfs/dbraw/zinc/36/57/99/347365799.db2.gz HNUSBKMPQPNXHA-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1Cl ZINC000595841088 347365802 /nfs/dbraw/zinc/36/58/02/347365802.db2.gz HNUSBKMPQPNXHA-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000595901472 347370994 /nfs/dbraw/zinc/37/09/94/347370994.db2.gz WNYOZEIMQLDBBU-GLJUWKHASA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000595901472 347370996 /nfs/dbraw/zinc/37/09/96/347370996.db2.gz WNYOZEIMQLDBBU-GLJUWKHASA-N 1 2 299.418 3.006 20 30 CGEDLO N#CCCCCNc1cc(Nc2ccccc2)nc[nH+]1 ZINC000596106551 347383749 /nfs/dbraw/zinc/38/37/49/347383749.db2.gz FRYQPUQWVHPVFQ-UHFFFAOYSA-N 1 2 267.336 3.326 20 30 CGEDLO N#CCCCCNc1cc(Nc2ccccc2)[nH+]cn1 ZINC000596106551 347383754 /nfs/dbraw/zinc/38/37/54/347383754.db2.gz FRYQPUQWVHPVFQ-UHFFFAOYSA-N 1 2 267.336 3.326 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc3c(n2)CCC3)CCCCC1 ZINC000597215530 347555908 /nfs/dbraw/zinc/55/59/08/347555908.db2.gz DWFQQEDMWDQPGG-UHFFFAOYSA-N 1 2 269.392 3.134 20 30 CGEDLO CCCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597230913 347558717 /nfs/dbraw/zinc/55/87/17/347558717.db2.gz UUSHWDTZBRZRMQ-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO CCCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597230913 347558720 /nfs/dbraw/zinc/55/87/20/347558720.db2.gz UUSHWDTZBRZRMQ-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000597230101 347558774 /nfs/dbraw/zinc/55/87/74/347558774.db2.gz PUIITDRGHHNNJI-HNNXBMFYSA-N 1 2 258.296 3.307 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000597230101 347558778 /nfs/dbraw/zinc/55/87/78/347558778.db2.gz PUIITDRGHHNNJI-HNNXBMFYSA-N 1 2 258.296 3.307 20 30 CGEDLO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC#N ZINC000599651243 347762250 /nfs/dbraw/zinc/76/22/50/347762250.db2.gz FAFAJVPUPSHVPU-JQWIXIFHSA-N 1 2 279.181 3.150 20 30 CGEDLO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC#N ZINC000599651243 347762252 /nfs/dbraw/zinc/76/22/52/347762252.db2.gz FAFAJVPUPSHVPU-JQWIXIFHSA-N 1 2 279.181 3.150 20 30 CGEDLO Cc1c[nH]c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000600111779 347780274 /nfs/dbraw/zinc/78/02/74/347780274.db2.gz MAACLTAKJNRIRP-UHFFFAOYSA-N 1 2 268.364 3.000 20 30 CGEDLO Cc1c[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000600111779 347780275 /nfs/dbraw/zinc/78/02/75/347780275.db2.gz MAACLTAKJNRIRP-UHFFFAOYSA-N 1 2 268.364 3.000 20 30 CGEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]c1C ZINC000600110670 347780299 /nfs/dbraw/zinc/78/02/99/347780299.db2.gz CQXSGBLESNQFOE-UHFFFAOYSA-N 1 2 282.391 3.309 20 30 CGEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]c1C ZINC000600110670 347780303 /nfs/dbraw/zinc/78/03/03/347780303.db2.gz CQXSGBLESNQFOE-UHFFFAOYSA-N 1 2 282.391 3.309 20 30 CGEDLO Cc1[nH]c(CN(Cc2ccc(C#N)cc2)C(C)C)[nH+]c1C ZINC000600110670 347780304 /nfs/dbraw/zinc/78/03/04/347780304.db2.gz CQXSGBLESNQFOE-UHFFFAOYSA-N 1 2 282.391 3.309 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000599478232 347747519 /nfs/dbraw/zinc/74/75/19/347747519.db2.gz LKVVYAUOPNDSEQ-AWEZNQCLSA-N 1 2 298.308 3.020 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000599478232 347747521 /nfs/dbraw/zinc/74/75/21/347747521.db2.gz LKVVYAUOPNDSEQ-AWEZNQCLSA-N 1 2 298.308 3.020 20 30 CGEDLO CCOCCCNc1ccc(-c2ccc(F)cc2C#N)c[nH+]1 ZINC000600788440 347835746 /nfs/dbraw/zinc/83/57/46/347835746.db2.gz LKEPSAYZGNYUNA-UHFFFAOYSA-N 1 2 299.349 3.020 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(OC)s1)Cc1cccc(C#N)c1 ZINC000602453870 347961086 /nfs/dbraw/zinc/96/10/86/347961086.db2.gz KJMGIMQBPDULJJ-UHFFFAOYSA-N 1 2 299.399 3.212 20 30 CGEDLO C=CC[N@H+](Cc1cnc(OC)s1)Cc1cccc(C#N)c1 ZINC000602453870 347961087 /nfs/dbraw/zinc/96/10/87/347961087.db2.gz KJMGIMQBPDULJJ-UHFFFAOYSA-N 1 2 299.399 3.212 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000602481222 347965681 /nfs/dbraw/zinc/96/56/81/347965681.db2.gz BRCKPEVCSVTCBA-SNVBAGLBSA-N 1 2 265.307 3.143 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000602481222 347965682 /nfs/dbraw/zinc/96/56/82/347965682.db2.gz BRCKPEVCSVTCBA-SNVBAGLBSA-N 1 2 265.307 3.143 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000602486359 347967782 /nfs/dbraw/zinc/96/77/82/347967782.db2.gz YUAPDYLHNGALTN-ZDUSSCGKSA-N 1 2 254.337 3.224 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602783826 348028493 /nfs/dbraw/zinc/02/84/93/348028493.db2.gz GGQMDWUTBYXHBV-LLVKDONJSA-N 1 2 294.424 3.009 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602783826 348028496 /nfs/dbraw/zinc/02/84/96/348028496.db2.gz GGQMDWUTBYXHBV-LLVKDONJSA-N 1 2 294.424 3.009 20 30 CGEDLO N#CC1CCC([NH2+][C@@H](C[C@H]2CCCO2)C(F)(F)F)CC1 ZINC000602706140 348013600 /nfs/dbraw/zinc/01/36/00/348013600.db2.gz AWKXZECPZWHEPK-TUUUFIMRSA-N 1 2 290.329 3.158 20 30 CGEDLO N#CC1CCC([NH2+][C@H](C[C@H]2CCCO2)C(F)(F)F)CC1 ZINC000602706136 348013753 /nfs/dbraw/zinc/01/37/53/348013753.db2.gz AWKXZECPZWHEPK-FIYWTHMPSA-N 1 2 290.329 3.158 20 30 CGEDLO COCc1cc(C#N)ccc1NCCc1[nH+]cc(C)cc1C ZINC000603404216 348079558 /nfs/dbraw/zinc/07/95/58/348079558.db2.gz RAGGHFOHOPFQBS-UHFFFAOYSA-N 1 2 295.386 3.371 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000602861776 348037390 /nfs/dbraw/zinc/03/73/90/348037390.db2.gz JCNJVKQDNMRWEV-QWHCGFSZSA-N 1 2 287.407 3.203 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[C@H]1C#N ZINC000602976126 348048652 /nfs/dbraw/zinc/04/86/52/348048652.db2.gz LFXNFBRIEJOVLH-WCQYABFASA-N 1 2 271.389 3.420 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCC[C@H]1C#N ZINC000602976126 348048653 /nfs/dbraw/zinc/04/86/53/348048653.db2.gz LFXNFBRIEJOVLH-WCQYABFASA-N 1 2 271.389 3.420 20 30 CGEDLO CC(C)(Nc1nc(C(F)(F)F)ccc1C#N)c1[nH]cc[nH+]1 ZINC000603407470 348080080 /nfs/dbraw/zinc/08/00/80/348080080.db2.gz UGAWZWPCZGHSEI-UHFFFAOYSA-N 1 2 295.268 3.042 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2coc3ccccc23)n1 ZINC000339409121 215152564 /nfs/dbraw/zinc/15/25/64/215152564.db2.gz XELHEBHJHXGIRG-UHFFFAOYSA-N 1 2 269.329 3.051 20 30 CGEDLO CC#CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000607727464 348258260 /nfs/dbraw/zinc/25/82/60/348258260.db2.gz HAPIUCBYUGOFAM-RKDXNWHRSA-N 1 2 273.220 3.072 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000612435214 348520126 /nfs/dbraw/zinc/52/01/26/348520126.db2.gz PCJSEPDDTOWGLK-SNVBAGLBSA-N 1 2 275.352 3.341 20 30 CGEDLO N#Cc1csc(CNc2[nH+]c3ccccc3n2C2CC2)c1 ZINC000613104277 348564739 /nfs/dbraw/zinc/56/47/39/348564739.db2.gz ZNPAUHGGRUFIFY-UHFFFAOYSA-N 1 2 294.383 3.338 20 30 CGEDLO Cc1cc(N2CC[C@](F)(C#N)C2)c2cc(F)ccc2[nH+]1 ZINC000615530356 348747434 /nfs/dbraw/zinc/74/74/34/348747434.db2.gz HHJAGPBGJVCTSA-HNNXBMFYSA-N 1 2 273.286 3.124 20 30 CGEDLO N#Cc1ccc(Br)c(C[N@H+]2CC=CCC2)c1 ZINC000617219528 348937298 /nfs/dbraw/zinc/93/72/98/348937298.db2.gz LLYHSKAGAAYQTK-UHFFFAOYSA-N 1 2 277.165 3.083 20 30 CGEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC=CCC2)c1 ZINC000617219528 348937300 /nfs/dbraw/zinc/93/73/00/348937300.db2.gz LLYHSKAGAAYQTK-UHFFFAOYSA-N 1 2 277.165 3.083 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000618819828 349157682 /nfs/dbraw/zinc/15/76/82/349157682.db2.gz RCBIUXRDIXLYMW-AWEZNQCLSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000618819828 349157684 /nfs/dbraw/zinc/15/76/84/349157684.db2.gz RCBIUXRDIXLYMW-AWEZNQCLSA-N 1 2 261.394 3.146 20 30 CGEDLO COc1ccc(-c2nc(C[NH2+]CC3(C#N)CC3)cs2)cc1 ZINC000619535204 349257788 /nfs/dbraw/zinc/25/77/88/349257788.db2.gz JCSCDIRSLYVOHW-UHFFFAOYSA-N 1 2 299.399 3.212 20 30 CGEDLO C=C[C@@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OC ZINC000619701483 349276470 /nfs/dbraw/zinc/27/64/70/349276470.db2.gz KFDUNOUSMGJNAW-BDVYOWHSSA-N 1 2 287.403 3.278 20 30 CGEDLO C=C[C@H]([NH2+]C1CCC(CCCC)CC1)C(=O)OC ZINC000619700687 349276506 /nfs/dbraw/zinc/27/65/06/349276506.db2.gz HYJBAESNEUQHDA-RUXDESIVSA-N 1 2 253.386 3.053 20 30 CGEDLO C=C[C@@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)OC ZINC000619704270 349277285 /nfs/dbraw/zinc/27/72/85/349277285.db2.gz ZZOQBARPSFTBDC-JKSUJKDBSA-N 1 2 289.350 3.079 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000619719625 349277704 /nfs/dbraw/zinc/27/77/04/349277704.db2.gz PURQYUGKCDLBSQ-HNNXBMFYSA-N 1 2 291.778 3.157 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000619719625 349277706 /nfs/dbraw/zinc/27/77/06/349277706.db2.gz PURQYUGKCDLBSQ-HNNXBMFYSA-N 1 2 291.778 3.157 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)ccn1 ZINC000619784268 349285376 /nfs/dbraw/zinc/28/53/76/349285376.db2.gz QIUGQHBUJYQFQR-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)ccn1 ZINC000619784268 349285378 /nfs/dbraw/zinc/28/53/78/349285378.db2.gz QIUGQHBUJYQFQR-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO C=CCOCC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626137187 350268891 /nfs/dbraw/zinc/26/88/91/350268891.db2.gz WYIPRBRBGCUUGG-HNNXBMFYSA-N 1 2 283.362 3.387 20 30 CGEDLO C=CCOCC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626137187 350268894 /nfs/dbraw/zinc/26/88/94/350268894.db2.gz WYIPRBRBGCUUGG-HNNXBMFYSA-N 1 2 283.362 3.387 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000336518325 213398092 /nfs/dbraw/zinc/39/80/92/213398092.db2.gz OOFDXLUHQOMOLE-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000336518325 213398095 /nfs/dbraw/zinc/39/80/95/213398095.db2.gz OOFDXLUHQOMOLE-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632848557 351223865 /nfs/dbraw/zinc/22/38/65/351223865.db2.gz IXWHDZKDYKMNNP-CQSZACIVSA-N 1 2 269.348 3.161 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000633288244 351275837 /nfs/dbraw/zinc/27/58/37/351275837.db2.gz KYWQOKNZRHNOTD-OLZOCXBDSA-N 1 2 290.411 3.181 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NCc2ccc(C#N)o2)c1 ZINC000119955330 186865228 /nfs/dbraw/zinc/86/52/28/186865228.db2.gz CCRWJERVPGQTGK-UHFFFAOYSA-N 1 2 278.315 3.164 20 30 CGEDLO C=C(Br)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000122141707 187016802 /nfs/dbraw/zinc/01/68/02/187016802.db2.gz RSYXYBFMIYQNNO-UHFFFAOYSA-N 1 2 275.215 3.185 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CF)CC1 ZINC000295175566 199387641 /nfs/dbraw/zinc/38/76/41/199387641.db2.gz QRIJXSBEAKOYRX-UHFFFAOYSA-N 1 2 266.747 3.393 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000157241235 188305103 /nfs/dbraw/zinc/30/51/03/188305103.db2.gz HWVPPYYKYLOVIR-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000157241235 188305105 /nfs/dbraw/zinc/30/51/05/188305105.db2.gz HWVPPYYKYLOVIR-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(C(F)(F)F)cc1C#N ZINC000158328926 188370272 /nfs/dbraw/zinc/37/02/72/188370272.db2.gz GVACRYJZOJFZEI-UHFFFAOYSA-N 1 2 294.280 3.406 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000354018274 283142585 /nfs/dbraw/zinc/14/25/85/283142585.db2.gz PBSYMZHVAADSKP-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000354018274 283142588 /nfs/dbraw/zinc/14/25/88/283142588.db2.gz PBSYMZHVAADSKP-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000273576008 192212319 /nfs/dbraw/zinc/21/23/19/192212319.db2.gz GBAOFSJOUPYUQT-UWVGGRQHSA-N 1 2 272.377 3.130 20 30 CGEDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000093692618 138348195 /nfs/dbraw/zinc/34/81/95/138348195.db2.gz LALOKRXZHWGKRO-UHFFFAOYSA-N 1 2 294.420 3.172 20 30 CGEDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000093692618 138348197 /nfs/dbraw/zinc/34/81/97/138348197.db2.gz LALOKRXZHWGKRO-UHFFFAOYSA-N 1 2 294.420 3.172 20 30 CGEDLO CCOc1ccccc1CN(C)c1cc(C)[nH+]cc1C#N ZINC000425211546 236220088 /nfs/dbraw/zinc/22/00/88/236220088.db2.gz XJOIGMWBYTWCCU-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000120511733 370775854 /nfs/dbraw/zinc/77/58/54/370775854.db2.gz QEXMMBZYLUCTEB-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000120511733 370775860 /nfs/dbraw/zinc/77/58/60/370775860.db2.gz QEXMMBZYLUCTEB-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000459354051 242086619 /nfs/dbraw/zinc/08/66/19/242086619.db2.gz NVOZHFSGCMTOOF-MRXNPFEDSA-N 1 2 296.330 3.132 20 30 CGEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000459354051 242086623 /nfs/dbraw/zinc/08/66/23/242086623.db2.gz NVOZHFSGCMTOOF-MRXNPFEDSA-N 1 2 296.330 3.132 20 30 CGEDLO C=CC[N@@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000121474225 370863795 /nfs/dbraw/zinc/86/37/95/370863795.db2.gz VJRVVLPWNMDRDU-UHFFFAOYSA-N 1 2 285.366 3.118 20 30 CGEDLO C=CC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000121474225 370863799 /nfs/dbraw/zinc/86/37/99/370863799.db2.gz VJRVVLPWNMDRDU-UHFFFAOYSA-N 1 2 285.366 3.118 20 30 CGEDLO C=C[C@@H](CC(=O)Nc1c[nH+]ccc1OC)c1ccccc1 ZINC000122695684 370906441 /nfs/dbraw/zinc/90/64/41/370906441.db2.gz CYEBBEZQCYEDLW-ZDUSSCGKSA-N 1 2 282.343 3.389 20 30 CGEDLO N#CCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126079379 370942700 /nfs/dbraw/zinc/94/27/00/370942700.db2.gz ANBIKLWLWFPDAT-LLVKDONJSA-N 1 2 285.174 3.360 20 30 CGEDLO N#CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126079379 370942703 /nfs/dbraw/zinc/94/27/03/370942703.db2.gz ANBIKLWLWFPDAT-LLVKDONJSA-N 1 2 285.174 3.360 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000036982165 369045645 /nfs/dbraw/zinc/04/56/45/369045645.db2.gz JTJWMFVUSODZQN-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)ccc1OC)C[C@@H](C)C#N ZINC000042323792 369213210 /nfs/dbraw/zinc/21/32/10/369213210.db2.gz XCLYIGRNXCIKRZ-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)ccc1OC)C[C@@H](C)C#N ZINC000042323792 369213213 /nfs/dbraw/zinc/21/32/13/369213213.db2.gz XCLYIGRNXCIKRZ-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1ccc(C#N)cc1NCc1cn2ccccc2[nH+]1 ZINC000050430380 369439396 /nfs/dbraw/zinc/43/93/96/369439396.db2.gz ADMYKLXUEGGCBO-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO COc1ccc(-c2cnc(C[NH+]3CCC(C#N)CC3)o2)cc1 ZINC000057872067 369547739 /nfs/dbraw/zinc/54/77/39/369547739.db2.gz HNPFSUXEIJMMAF-UHFFFAOYSA-N 1 2 297.358 3.086 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092729513 370100425 /nfs/dbraw/zinc/10/04/25/370100425.db2.gz NESBTRARBWMAOZ-INIZCTEOSA-N 1 2 295.386 3.149 20 30 CGEDLO C#CCOc1ccccc1C[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092729513 370100429 /nfs/dbraw/zinc/10/04/29/370100429.db2.gz NESBTRARBWMAOZ-INIZCTEOSA-N 1 2 295.386 3.149 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102681414 370308308 /nfs/dbraw/zinc/30/83/08/370308308.db2.gz FOACEAHQVHTLSW-ZDUSSCGKSA-N 1 2 290.407 3.303 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102681414 370308312 /nfs/dbraw/zinc/30/83/12/370308312.db2.gz FOACEAHQVHTLSW-ZDUSSCGKSA-N 1 2 290.407 3.303 20 30 CGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCC#N ZINC000111309768 370396499 /nfs/dbraw/zinc/39/64/99/370396499.db2.gz RDBDNKYFJAUXAN-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCC#N ZINC000111309768 370396501 /nfs/dbraw/zinc/39/65/01/370396501.db2.gz RDBDNKYFJAUXAN-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C=CC[N@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000116379826 370558393 /nfs/dbraw/zinc/55/83/93/370558393.db2.gz DYXZLNCVCFOFJE-UHFFFAOYSA-N 1 2 283.331 3.178 20 30 CGEDLO C=CC[N@@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000116379826 370558398 /nfs/dbraw/zinc/55/83/98/370558398.db2.gz DYXZLNCVCFOFJE-UHFFFAOYSA-N 1 2 283.331 3.178 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000129769790 371001427 /nfs/dbraw/zinc/00/14/27/371001427.db2.gz QNUGRQUNBWWJPN-VIFPVBQESA-N 1 2 256.802 3.425 20 30 CGEDLO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)o1 ZINC000130684299 371051999 /nfs/dbraw/zinc/05/19/99/371051999.db2.gz AZXUFBMULRAOSL-UHFFFAOYSA-N 1 2 295.136 3.139 20 30 CGEDLO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)o1 ZINC000130684299 371052004 /nfs/dbraw/zinc/05/20/04/371052004.db2.gz AZXUFBMULRAOSL-UHFFFAOYSA-N 1 2 295.136 3.139 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000150881433 371545651 /nfs/dbraw/zinc/54/56/51/371545651.db2.gz SAJPHHFCPOSENI-UHFFFAOYSA-N 1 2 251.374 3.371 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1noc(C(C)C)n1 ZINC000150881433 371545657 /nfs/dbraw/zinc/54/56/57/371545657.db2.gz SAJPHHFCPOSENI-UHFFFAOYSA-N 1 2 251.374 3.371 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)C(F)(F)F ZINC000158066567 372050179 /nfs/dbraw/zinc/05/01/79/372050179.db2.gz DPXVOPJMUFHSPV-VIFPVBQESA-N 1 2 299.745 3.313 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)C(F)(F)F ZINC000158066567 372050187 /nfs/dbraw/zinc/05/01/87/372050187.db2.gz DPXVOPJMUFHSPV-VIFPVBQESA-N 1 2 299.745 3.313 20 30 CGEDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)C[C@@H](C)C#N ZINC000159074421 372104978 /nfs/dbraw/zinc/10/49/78/372104978.db2.gz UQMBLMGEJISRGL-AWEZNQCLSA-N 1 2 258.365 3.049 20 30 CGEDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)C[C@@H](C)C#N ZINC000159074421 372104983 /nfs/dbraw/zinc/10/49/83/372104983.db2.gz UQMBLMGEJISRGL-AWEZNQCLSA-N 1 2 258.365 3.049 20 30 CGEDLO COCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428469049 372217417 /nfs/dbraw/zinc/21/74/17/372217417.db2.gz RONINUFKKDUNJA-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO COCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428469049 372217420 /nfs/dbraw/zinc/21/74/20/372217420.db2.gz RONINUFKKDUNJA-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO N#Cc1ccc(SCCn2cc[nH+]c2)c(Cl)c1 ZINC000160169065 372220419 /nfs/dbraw/zinc/22/04/19/372220419.db2.gz WVKHXDUPEZEIRL-UHFFFAOYSA-N 1 2 263.753 3.200 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000292906170 372244677 /nfs/dbraw/zinc/24/46/77/372244677.db2.gz ZXJYRUKHVSENNG-UHFFFAOYSA-N 1 2 261.369 3.422 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc2O1 ZINC000429161523 372319792 /nfs/dbraw/zinc/31/97/92/372319792.db2.gz QNUHLPOWKMIDNN-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc2O1 ZINC000429161523 372319800 /nfs/dbraw/zinc/31/98/00/372319800.db2.gz QNUHLPOWKMIDNN-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO N#CC[N@H+](C[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000162906574 372433467 /nfs/dbraw/zinc/43/34/67/372433467.db2.gz LYTLJXAPWLFWPM-CQSZACIVSA-N 1 2 270.376 3.321 20 30 CGEDLO N#CC[N@@H+](C[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000162906574 372433476 /nfs/dbraw/zinc/43/34/76/372433476.db2.gz LYTLJXAPWLFWPM-CQSZACIVSA-N 1 2 270.376 3.321 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000168927952 372623042 /nfs/dbraw/zinc/62/30/42/372623042.db2.gz NNXSOODFKWGVDA-UHFFFAOYSA-N 1 2 271.389 3.449 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@H](C)C#N ZINC000437579106 372852391 /nfs/dbraw/zinc/85/23/91/372852391.db2.gz KTDGONQXIARLCT-LLVKDONJSA-N 1 2 259.328 3.289 20 30 CGEDLO CC[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@H](C)C#N ZINC000437579106 372852402 /nfs/dbraw/zinc/85/24/02/372852402.db2.gz KTDGONQXIARLCT-LLVKDONJSA-N 1 2 259.328 3.289 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1C#N ZINC000171939653 372860225 /nfs/dbraw/zinc/86/02/25/372860225.db2.gz QWCZAWZCIHQBQT-UHFFFAOYSA-N 1 2 255.365 3.320 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1C#N ZINC000171939653 372860233 /nfs/dbraw/zinc/86/02/33/372860233.db2.gz QWCZAWZCIHQBQT-UHFFFAOYSA-N 1 2 255.365 3.320 20 30 CGEDLO CC#CC[NH+]1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000441435515 373010922 /nfs/dbraw/zinc/01/09/22/373010922.db2.gz CIQGOQJJGNOCSB-QGZVFWFLSA-N 1 2 292.373 3.057 20 30 CGEDLO CC#CCN1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000441435515 373010932 /nfs/dbraw/zinc/01/09/32/373010932.db2.gz CIQGOQJJGNOCSB-QGZVFWFLSA-N 1 2 292.373 3.057 20 30 CGEDLO CCc1cc(C#N)ccc1OCc1cc(OC)cc(C)[nH+]1 ZINC000442095846 373042807 /nfs/dbraw/zinc/04/28/07/373042807.db2.gz GZIVLLLCMGKAGF-UHFFFAOYSA-N 1 2 282.343 3.412 20 30 CGEDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000353580860 220168635 /nfs/dbraw/zinc/16/86/35/220168635.db2.gz ZBWBRCUBOCDBPA-UHFFFAOYSA-N 1 2 287.338 3.327 20 30 CGEDLO C=CC(C)(C)c1nc(Cn2c3ccccc3[nH+]c2CC)no1 ZINC000296877261 373250097 /nfs/dbraw/zinc/25/00/97/373250097.db2.gz OCEOBGVTHOKUIH-UHFFFAOYSA-N 1 2 296.374 3.494 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(C)o1 ZINC000298004535 373289140 /nfs/dbraw/zinc/28/91/40/373289140.db2.gz YGWBEIWEKASUGY-GFCCVEGCSA-N 1 2 257.337 3.127 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(C)o1 ZINC000298004535 373289152 /nfs/dbraw/zinc/28/91/52/373289152.db2.gz YGWBEIWEKASUGY-GFCCVEGCSA-N 1 2 257.337 3.127 20 30 CGEDLO Cc1csc([C@H]([NH2+]Cc2ccc(C#N)o2)C2CC2)n1 ZINC000174542385 373335484 /nfs/dbraw/zinc/33/54/84/373335484.db2.gz VLXVHHTUJCJSCM-CYBMUJFWSA-N 1 2 273.361 3.157 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175372865 373459720 /nfs/dbraw/zinc/45/97/20/373459720.db2.gz VRHUQLMJKNTKRG-PIGZYNQJSA-N 1 2 271.813 3.169 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175372865 373459730 /nfs/dbraw/zinc/45/97/30/373459730.db2.gz VRHUQLMJKNTKRG-PIGZYNQJSA-N 1 2 271.813 3.169 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182055532 374210852 /nfs/dbraw/zinc/21/08/52/374210852.db2.gz OCDJHFPGQICRAL-UHFFFAOYSA-N 1 2 266.728 3.422 20 30 CGEDLO Cc1csc([C@@H](C)C/[NH+]=C/c2ccccc2O)n1 ZINC000182164841 374227270 /nfs/dbraw/zinc/22/72/70/374227270.db2.gz IEHZMQAFLRICSB-CYANDVJASA-N 1 2 260.362 3.380 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@]2(C)CCOC2)c1 ZINC000329370938 374406916 /nfs/dbraw/zinc/40/69/16/374406916.db2.gz AVJKEYSAPQSQCS-INIZCTEOSA-N 1 2 285.347 3.102 20 30 CGEDLO C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000330223740 374451363 /nfs/dbraw/zinc/45/13/63/374451363.db2.gz AKOCODXWCGMKFF-JTQLQIEISA-N 1 2 295.433 3.035 20 30 CGEDLO C[C@H]1CCSCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000330223740 374451371 /nfs/dbraw/zinc/45/13/71/374451371.db2.gz AKOCODXWCGMKFF-JTQLQIEISA-N 1 2 295.433 3.035 20 30 CGEDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000184348615 374516116 /nfs/dbraw/zinc/51/61/16/374516116.db2.gz KWNOAVYNYLHXFG-UHFFFAOYSA-N 1 2 294.420 3.173 20 30 CGEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000184348615 374516126 /nfs/dbraw/zinc/51/61/26/374516126.db2.gz KWNOAVYNYLHXFG-UHFFFAOYSA-N 1 2 294.420 3.173 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCCCC(C)(C)CO)c(C)[nH+]1 ZINC000331323838 374523248 /nfs/dbraw/zinc/52/32/48/374523248.db2.gz LTKFJEBJTOOWCE-UHFFFAOYSA-N 1 2 293.411 3.131 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332235780 374562214 /nfs/dbraw/zinc/56/22/14/374562214.db2.gz NOVDWARURNRHKX-NSHDSACASA-N 1 2 286.335 3.012 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332235780 374562220 /nfs/dbraw/zinc/56/22/20/374562220.db2.gz NOVDWARURNRHKX-NSHDSACASA-N 1 2 286.335 3.012 20 30 CGEDLO Cc1ccc(COc2ccc(C#N)cc2C)c(C)[nH+]1 ZINC000185364363 374647316 /nfs/dbraw/zinc/64/73/16/374647316.db2.gz NNQMAHQCZKLDJB-UHFFFAOYSA-N 1 2 252.317 3.458 20 30 CGEDLO C=CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000334417063 374733183 /nfs/dbraw/zinc/73/31/83/374733183.db2.gz XWOHLVJXLBGJEZ-LBPRGKRZSA-N 1 2 267.170 3.167 20 30 CGEDLO C=CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000334417063 374733189 /nfs/dbraw/zinc/73/31/89/374733189.db2.gz XWOHLVJXLBGJEZ-LBPRGKRZSA-N 1 2 267.170 3.167 20 30 CGEDLO C[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1C#N ZINC000186468007 374857734 /nfs/dbraw/zinc/85/77/34/374857734.db2.gz QVRJVOIFALSIAP-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C[N@@H+](Cc1ccco1)Cc1ccc(Cl)cc1C#N ZINC000186468007 374857740 /nfs/dbraw/zinc/85/77/40/374857740.db2.gz QVRJVOIFALSIAP-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO Cc1nc([C@@H]2CCC[N@@H+]2CC2(C#N)CCC2)cs1 ZINC000334650115 374942159 /nfs/dbraw/zinc/94/21/59/374942159.db2.gz DPKSFQKBGLSLBL-ZDUSSCGKSA-N 1 2 261.394 3.282 20 30 CGEDLO Cc1nc([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)cs1 ZINC000334650115 374942166 /nfs/dbraw/zinc/94/21/66/374942166.db2.gz DPKSFQKBGLSLBL-ZDUSSCGKSA-N 1 2 261.394 3.282 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccc(F)c(F)c1 ZINC000187763565 375089229 /nfs/dbraw/zinc/08/92/29/375089229.db2.gz XMCIWHCWMFWBPH-HNNXBMFYSA-N 1 2 292.333 3.052 20 30 CGEDLO C[C@@H]1[N@H+](CC#Cc2ccc(Cl)cc2)CCOC1(C)C ZINC000476965772 375141754 /nfs/dbraw/zinc/14/17/54/375141754.db2.gz CDTKRZPDXAVTGD-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@@H]1[N@@H+](CC#Cc2ccc(Cl)cc2)CCOC1(C)C ZINC000476965772 375141760 /nfs/dbraw/zinc/14/17/60/375141760.db2.gz CDTKRZPDXAVTGD-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000335402514 375271102 /nfs/dbraw/zinc/27/11/02/375271102.db2.gz CLZKYKANJLRGQU-UHFFFAOYSA-N 1 2 264.319 3.263 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000335402514 375271107 /nfs/dbraw/zinc/27/11/07/375271107.db2.gz CLZKYKANJLRGQU-UHFFFAOYSA-N 1 2 264.319 3.263 20 30 CGEDLO C=CCC1(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000189340029 375370574 /nfs/dbraw/zinc/37/05/74/375370574.db2.gz CXGVGASSBCQXNV-GJZGRUSLSA-N 1 2 287.407 3.039 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2CC(OCC)C2)c1O ZINC000189648490 375429078 /nfs/dbraw/zinc/42/90/78/375429078.db2.gz ZRQJBYXMJUDKNW-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000335900846 375525074 /nfs/dbraw/zinc/52/50/74/375525074.db2.gz LLMKMHPAXNHDBG-HNNXBMFYSA-N 1 2 280.375 3.014 20 30 CGEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000335900846 375525081 /nfs/dbraw/zinc/52/50/81/375525081.db2.gz LLMKMHPAXNHDBG-HNNXBMFYSA-N 1 2 280.375 3.014 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2cccs2)n1 ZINC000191084735 375574127 /nfs/dbraw/zinc/57/41/27/375574127.db2.gz WKXAQHOEQSRIRQ-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1coc(-c2cccs2)n1 ZINC000191084735 375574131 /nfs/dbraw/zinc/57/41/31/375574131.db2.gz WKXAQHOEQSRIRQ-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000336244777 375763003 /nfs/dbraw/zinc/76/30/03/375763003.db2.gz XXGSFRCBXGVSJU-BMLIUANNSA-N 1 2 294.358 3.319 20 30 CGEDLO COCC[C@@H]([NH2+][C@H](C#N)C1CCCCC1)C(C)(C)C ZINC000509000192 375766771 /nfs/dbraw/zinc/76/67/71/375766771.db2.gz XOIUZOJSAUINPB-HUUCEWRRSA-N 1 2 266.429 3.500 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1c(F)cccc1Br ZINC000336644986 375893823 /nfs/dbraw/zinc/89/38/23/375893823.db2.gz AMHOLAFRKWBLBZ-UHFFFAOYSA-N 1 2 285.160 3.228 20 30 CGEDLO COc1cc[nH+]cc1COc1ccc(C#N)c(Cl)c1 ZINC000336809864 375962024 /nfs/dbraw/zinc/96/20/24/375962024.db2.gz GKAQWOXVTJXYEU-UHFFFAOYSA-N 1 2 274.707 3.194 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccccc2)nc1 ZINC000535785988 376060878 /nfs/dbraw/zinc/06/08/78/376060878.db2.gz PIHRNLCVMANZGT-UHFFFAOYSA-N 1 2 280.375 3.268 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccccc2)nc1 ZINC000535785988 376060883 /nfs/dbraw/zinc/06/08/83/376060883.db2.gz PIHRNLCVMANZGT-UHFFFAOYSA-N 1 2 280.375 3.268 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000220906125 376210942 /nfs/dbraw/zinc/21/09/42/376210942.db2.gz LNWCKLFHUUENDC-NWDGAFQWSA-N 1 2 255.321 3.267 20 30 CGEDLO CCc1[nH+]c(C(C)C)ccc1Cn1c(C)nc(C#N)c1C#N ZINC000338569147 376431828 /nfs/dbraw/zinc/43/18/28/376431828.db2.gz XUMUFOAJWMSVHH-UHFFFAOYSA-N 1 2 293.374 3.064 20 30 CGEDLO N#Cc1cc(F)c(NCCc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000338641057 376458049 /nfs/dbraw/zinc/45/80/49/376458049.db2.gz XOVGYTNEOZKOKU-UHFFFAOYSA-N 1 2 298.296 3.367 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)c1 ZINC000334318956 206360610 /nfs/dbraw/zinc/36/06/10/206360610.db2.gz SWLJURWJQNPYDK-SJORKVTESA-N 1 2 268.360 3.040 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)c1 ZINC000334318956 206360613 /nfs/dbraw/zinc/36/06/13/206360613.db2.gz SWLJURWJQNPYDK-SJORKVTESA-N 1 2 268.360 3.040 20 30 CGEDLO C=CCOCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000339159692 376716838 /nfs/dbraw/zinc/71/68/38/376716838.db2.gz ZYWSOYQXRPKSHU-UHFFFAOYSA-N 1 2 288.366 3.258 20 30 CGEDLO C=CCOCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000339159692 376716842 /nfs/dbraw/zinc/71/68/42/376716842.db2.gz ZYWSOYQXRPKSHU-UHFFFAOYSA-N 1 2 288.366 3.258 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(F)c(F)cc2F)c1 ZINC000545219872 376801040 /nfs/dbraw/zinc/80/10/40/376801040.db2.gz FJYXUUNPUGEDAS-UHFFFAOYSA-N 1 2 277.249 3.177 20 30 CGEDLO FC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000556112973 376859550 /nfs/dbraw/zinc/85/95/50/376859550.db2.gz JDKXDAWJKNVKPT-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO FC[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000556112973 376859554 /nfs/dbraw/zinc/85/95/54/376859554.db2.gz JDKXDAWJKNVKPT-AWEZNQCLSA-N 1 2 251.732 3.125 20 30 CGEDLO C=CCCc1noc([C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000565220341 377485179 /nfs/dbraw/zinc/48/51/79/377485179.db2.gz DMCOIENXOFWLTN-AWEZNQCLSA-N 1 2 291.782 3.493 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1C#N ZINC000565174592 377486044 /nfs/dbraw/zinc/48/60/44/377486044.db2.gz SHJMQUTXCNDRJV-ZDUSSCGKSA-N 1 2 292.180 3.103 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Oc2ccccc2)nn1 ZINC000571936635 377544889 /nfs/dbraw/zinc/54/48/89/377544889.db2.gz CTJROMHEVFLIKE-ZDUSSCGKSA-N 1 2 282.347 3.051 20 30 CGEDLO N#Cc1ccc(SCc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000343198370 377926142 /nfs/dbraw/zinc/92/61/42/377926142.db2.gz WSKNSWVYWYNQNX-UHFFFAOYSA-N 1 2 298.293 3.004 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/CCOCC2CC2)c(O)c1 ZINC000264589931 377990563 /nfs/dbraw/zinc/99/05/63/377990563.db2.gz ZLPHHDPKCYOFAM-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO N#CC1(C[NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000343627486 378045468 /nfs/dbraw/zinc/04/54/68/378045468.db2.gz YJARLSSFLIPREW-UHFFFAOYSA-N 1 2 262.303 3.237 20 30 CGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000343563880 378022301 /nfs/dbraw/zinc/02/23/01/378022301.db2.gz MUSNTZSRDPNYDS-RYUDHWBXSA-N 1 2 258.340 3.437 20 30 CGEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC1(C#N)CC1 ZINC000343563880 378022304 /nfs/dbraw/zinc/02/23/04/378022304.db2.gz MUSNTZSRDPNYDS-RYUDHWBXSA-N 1 2 258.340 3.437 20 30 CGEDLO N#Cc1cccc(Cl)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269881523 378277236 /nfs/dbraw/zinc/27/72/36/378277236.db2.gz SDUZFGIJXJYILH-CYBMUJFWSA-N 1 2 298.777 3.297 20 30 CGEDLO C=CC[N@H+](Cc1nccs1)Cc1ccc(OC)cc1 ZINC000269662967 378250086 /nfs/dbraw/zinc/25/00/86/378250086.db2.gz PBQRQTRNRNVLMZ-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1nccs1)Cc1ccc(OC)cc1 ZINC000269662967 378250089 /nfs/dbraw/zinc/25/00/89/378250089.db2.gz PBQRQTRNRNVLMZ-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270160001 378315660 /nfs/dbraw/zinc/31/56/60/378315660.db2.gz IITGTQLLTNKOMV-UHFFFAOYSA-N 1 2 266.266 3.253 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270160001 378315663 /nfs/dbraw/zinc/31/56/63/378315663.db2.gz IITGTQLLTNKOMV-UHFFFAOYSA-N 1 2 266.266 3.253 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCO[C@H](C(C)(C)C)C2)c1O ZINC000270568409 378370155 /nfs/dbraw/zinc/37/01/55/378370155.db2.gz ALWYYDHITAJFRM-DCZLZTFESA-N 1 2 291.391 3.413 20 30 CGEDLO CC(C)(C)[C@@H]1C[C@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000270569815 378370308 /nfs/dbraw/zinc/37/03/08/378370308.db2.gz AYMRLJNJHJGCIQ-STYDFJLESA-N 1 2 277.364 3.110 20 30 CGEDLO C=CC(C)(C)CCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000637320756 378483715 /nfs/dbraw/zinc/48/37/15/378483715.db2.gz QQEFUSHJUQRNFH-ZDUSSCGKSA-N 1 2 290.411 3.249 20 30 CGEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccco1 ZINC000346389299 378565516 /nfs/dbraw/zinc/56/55/16/378565516.db2.gz TWTMWZCCKMMVNA-UHFFFAOYSA-N 1 2 297.358 3.000 20 30 CGEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccco1 ZINC000346389299 378565525 /nfs/dbraw/zinc/56/55/25/378565525.db2.gz TWTMWZCCKMMVNA-UHFFFAOYSA-N 1 2 297.358 3.000 20 30 CGEDLO CN(C)c1ccc(CNc2cc(Cl)ccc2C#N)c[nH+]1 ZINC000346655852 378664961 /nfs/dbraw/zinc/66/49/61/378664961.db2.gz OIHAPAFPMDPPQE-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO C=CC[N@H+](Cc1ccns1)Cc1ccc(OC)cc1 ZINC000637960968 378647211 /nfs/dbraw/zinc/64/72/11/378647211.db2.gz SBPOZVZAAPESKK-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1ccns1)Cc1ccc(OC)cc1 ZINC000637960968 378647216 /nfs/dbraw/zinc/64/72/16/378647216.db2.gz SBPOZVZAAPESKK-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000274576817 378853843 /nfs/dbraw/zinc/85/38/43/378853843.db2.gz FSOUZYYLIZTMFA-ZDUSSCGKSA-N 1 2 276.384 3.003 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000275108602 378938640 /nfs/dbraw/zinc/93/86/40/378938640.db2.gz GQKIEBZQFLCRIJ-NVXWUHKLSA-N 1 2 297.402 3.138 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000277497688 379173456 /nfs/dbraw/zinc/17/34/56/379173456.db2.gz UYIUPPGDEZRXAB-CQSZACIVSA-N 1 2 291.395 3.067 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000277497688 379173461 /nfs/dbraw/zinc/17/34/61/379173461.db2.gz UYIUPPGDEZRXAB-CQSZACIVSA-N 1 2 291.395 3.067 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377499507 379686405 /nfs/dbraw/zinc/68/64/05/379686405.db2.gz CCNMWEISYXQFHC-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377499507 379686409 /nfs/dbraw/zinc/68/64/09/379686409.db2.gz CCNMWEISYXQFHC-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000281335436 379829934 /nfs/dbraw/zinc/82/99/34/379829934.db2.gz LPFJRHUOXDBGKK-CHWSQXEVSA-N 1 2 276.384 3.001 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000281370883 379832415 /nfs/dbraw/zinc/83/24/15/379832415.db2.gz VMMNBCVFHBWOFS-KRWDZBQOSA-N 1 2 280.375 3.019 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC000281370883 379832424 /nfs/dbraw/zinc/83/24/24/379832424.db2.gz VMMNBCVFHBWOFS-KRWDZBQOSA-N 1 2 280.375 3.019 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000352449780 379820741 /nfs/dbraw/zinc/82/07/41/379820741.db2.gz OLLOJRQGHJQJGA-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO CC[C@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@H](CC)O1 ZINC000398540891 379931391 /nfs/dbraw/zinc/93/13/91/379931391.db2.gz UUBOYKFWXBJGSR-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000267896427 190361548 /nfs/dbraw/zinc/36/15/48/190361548.db2.gz UKWRDTYKQLXXOD-GFCCVEGCSA-N 1 2 269.348 3.070 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(CC)o1 ZINC000411137697 380129780 /nfs/dbraw/zinc/12/97/80/380129780.db2.gz VKJHCRPVUVEYDG-CYBMUJFWSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(CC)o1 ZINC000411137697 380129784 /nfs/dbraw/zinc/12/97/84/380129784.db2.gz VKJHCRPVUVEYDG-CYBMUJFWSA-N 1 2 271.364 3.381 20 30 CGEDLO Cc1cccc(CCCNc2ncc(C#N)cc2Cl)[nH+]1 ZINC000286351478 380200346 /nfs/dbraw/zinc/20/03/46/380200346.db2.gz CTBVQKJZOCBPTH-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO C=C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000353322726 380203277 /nfs/dbraw/zinc/20/32/77/380203277.db2.gz XBWNJJPKBLQOHZ-UHFFFAOYSA-N 1 2 279.767 3.263 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000354044727 380299139 /nfs/dbraw/zinc/29/91/39/380299139.db2.gz MDWNYFPWEBBQBZ-VIFPVBQESA-N 1 2 268.282 3.228 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000354044727 380299145 /nfs/dbraw/zinc/29/91/45/380299145.db2.gz MDWNYFPWEBBQBZ-VIFPVBQESA-N 1 2 268.282 3.228 20 30 CGEDLO C=CCOCCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000419011907 380763110 /nfs/dbraw/zinc/76/31/10/380763110.db2.gz UIPRUBPTQHFTPP-UHFFFAOYSA-N 1 2 298.386 3.468 20 30 CGEDLO Cc1cc(NCC2(C#N)CCC2)c2cc(F)ccc2[nH+]1 ZINC000419029972 380765879 /nfs/dbraw/zinc/76/58/79/380765879.db2.gz ZDPDJMYGGPEJJM-UHFFFAOYSA-N 1 2 269.323 3.210 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951844 380863257 /nfs/dbraw/zinc/86/32/57/380863257.db2.gz RFDNKFLXFGKBSA-RYUDHWBXSA-N 1 2 273.302 3.094 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951844 380863269 /nfs/dbraw/zinc/86/32/69/380863269.db2.gz RFDNKFLXFGKBSA-RYUDHWBXSA-N 1 2 273.302 3.094 20 30 CGEDLO Cc1occc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000334836943 207162496 /nfs/dbraw/zinc/16/24/96/207162496.db2.gz PMOYPSSGYWXDRH-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1occc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000334836943 207162501 /nfs/dbraw/zinc/16/25/01/207162501.db2.gz PMOYPSSGYWXDRH-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000361150461 381658112 /nfs/dbraw/zinc/65/81/12/381658112.db2.gz AJSQJKIXLZIKLU-YDHLFZDLSA-N 1 2 270.380 3.084 20 30 CGEDLO Cc1nnc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000362424826 381985903 /nfs/dbraw/zinc/98/59/03/381985903.db2.gz LNCZICJFDBDHDV-LBPRGKRZSA-N 1 2 294.358 3.100 20 30 CGEDLO Cc1nnc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000362424826 381985905 /nfs/dbraw/zinc/98/59/05/381985905.db2.gz LNCZICJFDBDHDV-LBPRGKRZSA-N 1 2 294.358 3.100 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000362928060 382152472 /nfs/dbraw/zinc/15/24/72/382152472.db2.gz OJRVSXKJCHASDY-VHSXEESVSA-N 1 2 289.408 3.102 20 30 CGEDLO CC(C)(C#N)CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000365348869 382285922 /nfs/dbraw/zinc/28/59/22/382285922.db2.gz XUJNCAIGPUSTIJ-OAHLLOKOSA-N 1 2 297.406 3.204 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000281103195 195105800 /nfs/dbraw/zinc/10/58/00/195105800.db2.gz LGDTWWUBEQXYKG-HNNXBMFYSA-N 1 2 284.363 3.095 20 30 CGEDLO CC[N@H+](Cc1ncc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336840912 285128937 /nfs/dbraw/zinc/12/89/37/285128937.db2.gz YDWYJJLWNBWQLL-AWEZNQCLSA-N 1 2 280.375 3.240 20 30 CGEDLO CC[N@@H+](Cc1ncc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336840912 285128938 /nfs/dbraw/zinc/12/89/38/285128938.db2.gz YDWYJJLWNBWQLL-AWEZNQCLSA-N 1 2 280.375 3.240 20 30 CGEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000191665460 130274015 /nfs/dbraw/zinc/27/40/15/130274015.db2.gz ZDTVYUFAQXQYRZ-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CC=CCC1 ZINC000093100363 392234496 /nfs/dbraw/zinc/23/44/96/392234496.db2.gz MOFWKBURRZUVIB-HNNXBMFYSA-N 1 2 255.365 3.154 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CC=CCC1 ZINC000093100363 392234499 /nfs/dbraw/zinc/23/44/99/392234499.db2.gz MOFWKBURRZUVIB-HNNXBMFYSA-N 1 2 255.365 3.154 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286707436 392387347 /nfs/dbraw/zinc/38/73/47/392387347.db2.gz AJZXPVLABUFPEY-QWHCGFSZSA-N 1 2 277.368 3.024 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000286707436 392387355 /nfs/dbraw/zinc/38/73/55/392387355.db2.gz AJZXPVLABUFPEY-QWHCGFSZSA-N 1 2 277.368 3.024 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000121179993 392411278 /nfs/dbraw/zinc/41/12/78/392411278.db2.gz FEHFMAXVYSBKEG-AWEZNQCLSA-N 1 2 291.782 3.069 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000121179993 392411280 /nfs/dbraw/zinc/41/12/80/392411280.db2.gz FEHFMAXVYSBKEG-AWEZNQCLSA-N 1 2 291.782 3.069 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000369381130 392497390 /nfs/dbraw/zinc/49/73/90/392497390.db2.gz ZQUBKXSYLXOANE-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000369381130 392497400 /nfs/dbraw/zinc/49/74/00/392497400.db2.gz ZQUBKXSYLXOANE-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000329486119 392684312 /nfs/dbraw/zinc/68/43/12/392684312.db2.gz XHVRCFGBLFRMDT-ZDUSSCGKSA-N 1 2 296.374 3.008 20 30 CGEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCCC(F)(F)C1 ZINC000329519224 392685724 /nfs/dbraw/zinc/68/57/24/392685724.db2.gz NXMABDMZCFUXHS-NSHDSACASA-N 1 2 294.305 3.047 20 30 CGEDLO CCC[N@H+](CC#N)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303917185 392627055 /nfs/dbraw/zinc/62/70/55/392627055.db2.gz NYSANTGMQIBNFI-LSDHHAIUSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[N@@H+](CC#N)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303917185 392627066 /nfs/dbraw/zinc/62/70/66/392627066.db2.gz NYSANTGMQIBNFI-LSDHHAIUSA-N 1 2 264.413 3.350 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCC(C)(C)C#N)o1 ZINC000174866948 392647363 /nfs/dbraw/zinc/64/73/63/392647363.db2.gz BXEZSRJCTNZBEH-AWEZNQCLSA-N 1 2 276.380 3.291 20 30 CGEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCC(C)(C)C#N)o1 ZINC000174866948 392647369 /nfs/dbraw/zinc/64/73/69/392647369.db2.gz BXEZSRJCTNZBEH-AWEZNQCLSA-N 1 2 276.380 3.291 20 30 CGEDLO N#CC1(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000334290000 392716940 /nfs/dbraw/zinc/71/69/40/392716940.db2.gz LLZPGFKXDRKMAE-QGZVFWFLSA-N 1 2 277.371 3.197 20 30 CGEDLO N#CC1(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000334290000 392716945 /nfs/dbraw/zinc/71/69/45/392716945.db2.gz LLZPGFKXDRKMAE-QGZVFWFLSA-N 1 2 277.371 3.197 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCC1 ZINC000335160317 392778068 /nfs/dbraw/zinc/77/80/68/392778068.db2.gz LTTXLAYNTXQMJT-LLVKDONJSA-N 1 2 280.293 3.375 20 30 CGEDLO CC[C@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H](CC)O1 ZINC000404095119 392962744 /nfs/dbraw/zinc/96/27/44/392962744.db2.gz VUHHWWNSXZCZSM-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CCn1ccnc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195514790 392970336 /nfs/dbraw/zinc/97/03/36/392970336.db2.gz XVGKQKCCQBRAOF-AWEZNQCLSA-N 1 2 282.391 3.358 20 30 CGEDLO CCn1ccnc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195514790 392970346 /nfs/dbraw/zinc/97/03/46/392970346.db2.gz XVGKQKCCQBRAOF-AWEZNQCLSA-N 1 2 282.391 3.358 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724926 392986751 /nfs/dbraw/zinc/98/67/51/392986751.db2.gz RTIOQCBBSNYLKU-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724926 392986754 /nfs/dbraw/zinc/98/67/54/392986754.db2.gz RTIOQCBBSNYLKU-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO C[N@H+](Cc1csc(Br)c1)CC1(C#N)CC1 ZINC000343136188 393020274 /nfs/dbraw/zinc/02/02/74/393020274.db2.gz ASJONNUCTHUNMI-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO C[N@@H+](Cc1csc(Br)c1)CC1(C#N)CC1 ZINC000343136188 393020277 /nfs/dbraw/zinc/02/02/77/393020277.db2.gz ASJONNUCTHUNMI-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO CCn1cc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cn1 ZINC000547829498 393154402 /nfs/dbraw/zinc/15/44/02/393154402.db2.gz NEWWLPKFGUEDGX-UHFFFAOYSA-N 1 2 288.782 3.060 20 30 CGEDLO CCn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cn1 ZINC000547829498 393154405 /nfs/dbraw/zinc/15/44/05/393154405.db2.gz NEWWLPKFGUEDGX-UHFFFAOYSA-N 1 2 288.782 3.060 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000677047950 543427578 /nfs/dbraw/zinc/42/75/78/543427578.db2.gz LNKRRVTWRVLDQP-XJKSGUPXSA-N 1 2 261.340 3.001 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000677047950 543427581 /nfs/dbraw/zinc/42/75/81/543427581.db2.gz LNKRRVTWRVLDQP-XJKSGUPXSA-N 1 2 261.340 3.001 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000065603117 165035015 /nfs/dbraw/zinc/03/50/15/165035015.db2.gz JEDVFXOQVOOPQP-UHFFFAOYSA-N 1 2 279.343 3.344 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000065603117 165035018 /nfs/dbraw/zinc/03/50/18/165035018.db2.gz JEDVFXOQVOOPQP-UHFFFAOYSA-N 1 2 279.343 3.344 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1Br ZINC000038039255 174039878 /nfs/dbraw/zinc/03/98/78/174039878.db2.gz ZXIJJLSOJORDEZ-NSHDSACASA-N 1 2 285.160 3.370 20 30 CGEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)c(F)c1 ZINC000128147782 287304757 /nfs/dbraw/zinc/30/47/57/287304757.db2.gz FBOBSRGBCAXMFR-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c(C#N)c1C ZINC000078316651 177332619 /nfs/dbraw/zinc/33/26/19/177332619.db2.gz AFOOHRMYXWFMMF-JTQLQIEISA-N 1 2 291.420 3.050 20 30 CGEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c(C#N)c1C ZINC000078316651 177332621 /nfs/dbraw/zinc/33/26/21/177332621.db2.gz AFOOHRMYXWFMMF-JTQLQIEISA-N 1 2 291.420 3.050 20 30 CGEDLO CCC#C[C@@H](C)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000680900574 543745396 /nfs/dbraw/zinc/74/53/96/543745396.db2.gz TWGWSTYQIKWRFK-CABCVRRESA-N 1 2 276.449 3.229 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000680424524 543709972 /nfs/dbraw/zinc/70/99/72/543709972.db2.gz BMCPFRYMZZIVEY-QWHCGFSZSA-N 1 2 299.374 3.198 20 30 CGEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC1(C#N)CCC1 ZINC000334787178 225321903 /nfs/dbraw/zinc/32/19/03/225321903.db2.gz JGUXKQWEXJVTOK-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CC1(C#N)CCC1 ZINC000334787178 225321907 /nfs/dbraw/zinc/32/19/07/225321907.db2.gz JGUXKQWEXJVTOK-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1ccn(C(F)F)n1)c1ccccc1 ZINC000346662755 225857914 /nfs/dbraw/zinc/85/79/14/225857914.db2.gz FFVNBYUUXDLWIE-CQSZACIVSA-N 1 2 290.317 3.413 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000347043136 226026870 /nfs/dbraw/zinc/02/68/70/226026870.db2.gz CZOUXSYAOIPZGO-ROUUACIJSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000347043136 226026873 /nfs/dbraw/zinc/02/68/73/226026873.db2.gz CZOUXSYAOIPZGO-ROUUACIJSA-N 1 2 295.361 3.492 20 30 CGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)c1cccc(C#N)c1 ZINC000132146682 287398254 /nfs/dbraw/zinc/39/82/54/287398254.db2.gz XADCPLOQTXAVOE-UHFFFAOYSA-N 1 2 295.342 3.383 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000683844671 543948543 /nfs/dbraw/zinc/94/85/43/543948543.db2.gz XZPWPZHTFGHMCQ-ZDUSSCGKSA-N 1 2 259.328 3.014 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn2cccc(F)c2n1 ZINC000683844671 543948545 /nfs/dbraw/zinc/94/85/45/543948545.db2.gz XZPWPZHTFGHMCQ-ZDUSSCGKSA-N 1 2 259.328 3.014 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329024070 227262186 /nfs/dbraw/zinc/26/21/86/227262186.db2.gz USZISTGLQRCXTG-SOUVJXGZSA-N 1 2 287.407 3.497 20 30 CGEDLO C=CC[N@H+](Cc1ccsc1Cl)[C@H](C)COC ZINC000661239888 419243286 /nfs/dbraw/zinc/24/32/86/419243286.db2.gz PFWPEPCCNSQQQZ-SNVBAGLBSA-N 1 2 259.802 3.424 20 30 CGEDLO C=CC[N@@H+](Cc1ccsc1Cl)[C@H](C)COC ZINC000661239888 419243288 /nfs/dbraw/zinc/24/32/88/419243288.db2.gz PFWPEPCCNSQQQZ-SNVBAGLBSA-N 1 2 259.802 3.424 20 30 CGEDLO C=CC[N@H+](Cc1ccsc1Cl)[C@@H](C)COC ZINC000661239887 419243436 /nfs/dbraw/zinc/24/34/36/419243436.db2.gz PFWPEPCCNSQQQZ-JTQLQIEISA-N 1 2 259.802 3.424 20 30 CGEDLO C=CC[N@@H+](Cc1ccsc1Cl)[C@@H](C)COC ZINC000661239887 419243437 /nfs/dbraw/zinc/24/34/37/419243437.db2.gz PFWPEPCCNSQQQZ-JTQLQIEISA-N 1 2 259.802 3.424 20 30 CGEDLO C=CC[N@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC000661755686 419294758 /nfs/dbraw/zinc/29/47/58/419294758.db2.gz XUTKEZVPKOIFJT-UHFFFAOYSA-N 1 2 251.374 3.154 20 30 CGEDLO C=CC[N@@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC000661755686 419294759 /nfs/dbraw/zinc/29/47/59/419294759.db2.gz XUTKEZVPKOIFJT-UHFFFAOYSA-N 1 2 251.374 3.154 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2cccs2)on1 ZINC000331402426 228098397 /nfs/dbraw/zinc/09/83/97/228098397.db2.gz NCCBTZSKLNBZLD-CMPLNLGQSA-N 1 2 273.361 3.185 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc(-c2ccncc2)s1)CC1CC1 ZINC000353415883 228099414 /nfs/dbraw/zinc/09/94/14/228099414.db2.gz KKTHTNOVNGNCDT-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CCC[N@H+](Cc1cnc(-c2ccncc2)s1)CC1CC1 ZINC000353415883 228099416 /nfs/dbraw/zinc/09/94/16/228099416.db2.gz KKTHTNOVNGNCDT-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO N#Cc1csc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000356065259 228107186 /nfs/dbraw/zinc/10/71/86/228107186.db2.gz ZLPOSLJFNPGDBF-UHFFFAOYSA-N 1 2 297.383 3.010 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000356065259 228107188 /nfs/dbraw/zinc/10/71/88/228107188.db2.gz ZLPOSLJFNPGDBF-UHFFFAOYSA-N 1 2 297.383 3.010 20 30 CGEDLO Cc1ccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3C#N)co2)cc1 ZINC000332191494 228151475 /nfs/dbraw/zinc/15/14/75/228151475.db2.gz PPWFIESFNJMCAK-HOCLYGCPSA-N 1 2 281.359 3.432 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCC1CC1 ZINC000352095749 228181817 /nfs/dbraw/zinc/18/18/17/228181817.db2.gz AILRSJUZURGNHN-ZDUSSCGKSA-N 1 2 258.365 3.067 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000352095749 228181818 /nfs/dbraw/zinc/18/18/18/228181818.db2.gz AILRSJUZURGNHN-ZDUSSCGKSA-N 1 2 258.365 3.067 20 30 CGEDLO C=CCOCC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662190979 419354578 /nfs/dbraw/zinc/35/45/78/419354578.db2.gz NGVFLQBFQVZQLN-UHFFFAOYSA-N 1 2 296.208 3.276 20 30 CGEDLO C=CCOCC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662190979 419354584 /nfs/dbraw/zinc/35/45/84/419354584.db2.gz NGVFLQBFQVZQLN-UHFFFAOYSA-N 1 2 296.208 3.276 20 30 CGEDLO C=C[C@@H]1CCCCN1c1nc(C)[nH+]c(C)c1Br ZINC000663852301 419739277 /nfs/dbraw/zinc/73/92/77/419739277.db2.gz SJJAECKUFMTKRP-LLVKDONJSA-N 1 2 296.212 3.401 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccccc1Br ZINC000068607807 260143295 /nfs/dbraw/zinc/14/32/95/260143295.db2.gz SZGZMFJRHLNWPT-NXEZZACHSA-N 1 2 267.170 3.402 20 30 CGEDLO C=CCN(Cc1[nH+]ccn1CC)Cc1ccccc1F ZINC000102768144 261269855 /nfs/dbraw/zinc/26/98/55/261269855.db2.gz WDSOXFIPKQTWCR-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(F)cc1 ZINC000491229265 261380867 /nfs/dbraw/zinc/38/08/67/261380867.db2.gz GHGHWGPGPFNCGG-MRXNPFEDSA-N 1 2 285.366 3.241 20 30 CGEDLO C[N@H+](CCC#N)CCc1cc(Cl)cc(Cl)c1 ZINC000194617573 262240136 /nfs/dbraw/zinc/24/01/36/262240136.db2.gz GEZSNVNDZZRBQH-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO C[N@@H+](CCC#N)CCc1cc(Cl)cc(Cl)c1 ZINC000194617573 262240138 /nfs/dbraw/zinc/24/01/38/262240138.db2.gz GEZSNVNDZZRBQH-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO CC(C)C[C@@H]1C[C@@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271939377 263000456 /nfs/dbraw/zinc/00/04/56/263000456.db2.gz OEHLVLZHAMOADC-KQLQBFTNSA-N 1 2 277.364 3.110 20 30 CGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C)(C#N)CC1 ZINC000272640347 263007899 /nfs/dbraw/zinc/00/78/99/263007899.db2.gz XMOCYJFGMCNZRF-LBPRGKRZSA-N 1 2 296.374 3.022 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH2+][C@H]2CCC[C@H](C#N)C2)no1 ZINC000278102710 263045447 /nfs/dbraw/zinc/04/54/47/263045447.db2.gz AEVNGNOJQLAOHI-KBPBESRZSA-N 1 2 296.374 3.217 20 30 CGEDLO Cc1nc(F)ccc1C[N@@H+](CCC#N)CCC(C)C ZINC000278473099 263048222 /nfs/dbraw/zinc/04/82/22/263048222.db2.gz QXNKUXZPPKGCHQ-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1nc(F)ccc1C[N@H+](CCC#N)CCC(C)C ZINC000278473099 263048223 /nfs/dbraw/zinc/04/82/23/263048223.db2.gz QXNKUXZPPKGCHQ-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCC#N)[nH]c2c1 ZINC000289306213 263108808 /nfs/dbraw/zinc/10/88/08/263108808.db2.gz ISVIWFFNCPWQAP-OAHLLOKOSA-N 1 2 268.364 3.312 20 30 CGEDLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCCC#N)[nH]c2c1 ZINC000289306213 263108809 /nfs/dbraw/zinc/10/88/09/263108809.db2.gz ISVIWFFNCPWQAP-OAHLLOKOSA-N 1 2 268.364 3.312 20 30 CGEDLO CCCCCCCCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292286578 263130664 /nfs/dbraw/zinc/13/06/64/263130664.db2.gz HCZBOVFXXBZPGG-UHFFFAOYSA-N 1 2 292.427 3.159 20 30 CGEDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCC(C)(C)C#N ZINC000293318750 263139215 /nfs/dbraw/zinc/13/92/15/263139215.db2.gz VYUIQIXGTBRUEI-NSHDSACASA-N 1 2 265.788 3.458 20 30 CGEDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCC(C)(C)C#N ZINC000293318750 263139216 /nfs/dbraw/zinc/13/92/16/263139216.db2.gz VYUIQIXGTBRUEI-NSHDSACASA-N 1 2 265.788 3.458 20 30 CGEDLO N#CCCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295344628 263176274 /nfs/dbraw/zinc/17/62/74/263176274.db2.gz IGDLWWAMUJJIOD-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO N#CCCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295344628 263176275 /nfs/dbraw/zinc/17/62/75/263176275.db2.gz IGDLWWAMUJJIOD-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000341982682 263370015 /nfs/dbraw/zinc/37/00/15/263370015.db2.gz SHMNQOGIAWHJET-LBPRGKRZSA-N 1 2 294.345 3.278 20 30 CGEDLO CC(C)CCN(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000425341369 264009556 /nfs/dbraw/zinc/00/95/56/264009556.db2.gz XCUSHXIMGOFUEC-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330871441 264059494 /nfs/dbraw/zinc/05/94/94/264059494.db2.gz ZUVJUPZKTCWOSG-LZWOXQAQSA-N 1 2 299.418 3.419 20 30 CGEDLO COc1cc(C)cnc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331114759 264128861 /nfs/dbraw/zinc/12/88/61/264128861.db2.gz DDHVCIUISYFVIL-UHFFFAOYSA-N 1 2 285.347 3.355 20 30 CGEDLO C=CCCC1(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000456846966 264357309 /nfs/dbraw/zinc/35/73/09/264357309.db2.gz UIFJPZXBQOPTHY-UHFFFAOYSA-N 1 2 258.365 3.061 20 30 CGEDLO C=CC[C@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287868552 264649109 /nfs/dbraw/zinc/64/91/09/264649109.db2.gz XTWHICSTOYWZIF-ZWNOBZJWSA-N 1 2 269.772 3.023 20 30 CGEDLO N#Cc1csc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000084293104 270043202 /nfs/dbraw/zinc/04/32/02/270043202.db2.gz DKAPFJWAKDWUDK-UHFFFAOYSA-N 1 2 294.339 3.262 20 30 CGEDLO C=CCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000356646312 266152987 /nfs/dbraw/zinc/15/29/87/266152987.db2.gz NXOZUTWBGGFPBT-UHFFFAOYSA-N 1 2 280.331 3.431 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)no1 ZINC000357921514 266386305 /nfs/dbraw/zinc/38/63/05/266386305.db2.gz ANGANVFIXYEGSH-UHFFFAOYSA-N 1 2 273.311 3.216 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)no1 ZINC000357921514 266386307 /nfs/dbraw/zinc/38/63/07/266386307.db2.gz ANGANVFIXYEGSH-UHFFFAOYSA-N 1 2 273.311 3.216 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356083802 267124288 /nfs/dbraw/zinc/12/42/88/267124288.db2.gz KBQCTQRNKSOGOP-SNVBAGLBSA-N 1 2 281.281 3.169 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356083802 267124290 /nfs/dbraw/zinc/12/42/90/267124290.db2.gz KBQCTQRNKSOGOP-SNVBAGLBSA-N 1 2 281.281 3.169 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000528768315 270172042 /nfs/dbraw/zinc/17/20/42/270172042.db2.gz JQJDHHWPJHZZNX-JTQLQIEISA-N 1 2 268.282 3.317 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000528768315 270172043 /nfs/dbraw/zinc/17/20/43/270172043.db2.gz JQJDHHWPJHZZNX-JTQLQIEISA-N 1 2 268.282 3.317 20 30 CGEDLO Cc1cc(N[C@H]2CCSc3c(F)cccc32)c(C#N)c[nH+]1 ZINC000425213615 280300582 /nfs/dbraw/zinc/30/05/82/280300582.db2.gz YPBARTPZZRERPI-AWEZNQCLSA-N 1 2 299.374 3.472 20 30 CGEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000540558737 288660244 /nfs/dbraw/zinc/66/02/44/288660244.db2.gz PRPHZKUSKVZDKG-YGRLFVJLSA-N 1 2 256.305 3.157 20 30 CGEDLO N#Cc1nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1Cl ZINC000267223902 303215224 /nfs/dbraw/zinc/21/52/24/303215224.db2.gz DMSPIBKGMADJBF-GFCCVEGCSA-N 1 2 287.754 3.061 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](CCC#N)C(C)C ZINC000534337052 328049026 /nfs/dbraw/zinc/04/90/26/328049026.db2.gz PHCZDFXYDQEAON-UHFFFAOYSA-N 1 2 276.428 3.379 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](CCC#N)C(C)C ZINC000534337052 328049028 /nfs/dbraw/zinc/04/90/28/328049028.db2.gz PHCZDFXYDQEAON-UHFFFAOYSA-N 1 2 276.428 3.379 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncc(C#N)cn1)c1ccc(C2CC2)cc1 ZINC000570551314 322276263 /nfs/dbraw/zinc/27/62/63/322276263.db2.gz MIPHFNRKMOYBDE-GFCCVEGCSA-N 1 2 278.359 3.076 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CC(C)(C)CCC#N)no1 ZINC000367418128 327242323 /nfs/dbraw/zinc/24/23/23/327242323.db2.gz FFBUCTONZVUQIH-CYBMUJFWSA-N 1 2 290.411 3.489 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@H+]2CC(C)(C)CCC#N)no1 ZINC000367418128 327242326 /nfs/dbraw/zinc/24/23/26/327242326.db2.gz FFBUCTONZVUQIH-CYBMUJFWSA-N 1 2 290.411 3.489 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(Cl)cc2)c1 ZINC000547340317 328642753 /nfs/dbraw/zinc/64/27/53/328642753.db2.gz AADQPKMUEYGORD-UHFFFAOYSA-N 1 2 257.724 3.413 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCC1CC1 ZINC000358284658 328881440 /nfs/dbraw/zinc/88/14/40/328881440.db2.gz XMQVELDDWDJYOB-HNNXBMFYSA-N 1 2 258.365 3.257 20 30 CGEDLO Cc1cnn(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000377613001 329020537 /nfs/dbraw/zinc/02/05/37/329020537.db2.gz CQMQRRHFXXADGG-IAGOWNOFSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cnn(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000377613001 329020539 /nfs/dbraw/zinc/02/05/39/329020539.db2.gz CQMQRRHFXXADGG-IAGOWNOFSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1csc([C@H]2CCCN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000582841367 329276603 /nfs/dbraw/zinc/27/66/03/329276603.db2.gz SYKPCQKISVKRBM-ZDUSSCGKSA-N 1 2 298.415 3.411 20 30 CGEDLO C=CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189491810 329381729 /nfs/dbraw/zinc/38/17/29/329381729.db2.gz BJLUNKWKEBDJMZ-RISCZKNCSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189491810 329381730 /nfs/dbraw/zinc/38/17/30/329381730.db2.gz BJLUNKWKEBDJMZ-RISCZKNCSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CCOCCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000418945248 329700233 /nfs/dbraw/zinc/70/02/33/329700233.db2.gz PLYJMXMFKZOLHX-UHFFFAOYSA-N 1 2 257.333 3.433 20 30 CGEDLO Cc1cc[nH+]c(NCCCCC#N)c1Br ZINC000287695616 330108848 /nfs/dbraw/zinc/10/88/48/330108848.db2.gz DTNZIDOKXLRIMC-UHFFFAOYSA-N 1 2 268.158 3.258 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000424599192 330399671 /nfs/dbraw/zinc/39/96/71/330399671.db2.gz VZARHCDZPXRMQW-UHFFFAOYSA-N 1 2 289.423 3.146 20 30 CGEDLO C#CC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000122998504 330438584 /nfs/dbraw/zinc/43/85/84/330438584.db2.gz OTSSOWORELUTPL-INIZCTEOSA-N 1 2 289.338 3.049 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000429867181 330555925 /nfs/dbraw/zinc/55/59/25/330555925.db2.gz MGEHPPGDSWLLSD-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO C=CCC[C@@H]([NH2+]C/C=C/c1ccccc1)C(=O)OCC ZINC000449656937 330942391 /nfs/dbraw/zinc/94/23/91/330942391.db2.gz NCBHYXLSJZQWIA-ONOODXEBSA-N 1 2 273.376 3.187 20 30 CGEDLO CC(C)([NH2+]CC1(C#N)CCC1)c1ccccc1[N+](=O)[O-] ZINC000451061136 331014215 /nfs/dbraw/zinc/01/42/15/331014215.db2.gz ZWERGLSWOBNLDI-UHFFFAOYSA-N 1 2 273.336 3.113 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000488831739 332028087 /nfs/dbraw/zinc/02/80/87/332028087.db2.gz GZIRSLYMNIDGNB-CQSZACIVSA-N 1 2 297.402 3.166 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(Br)cn1 ZINC000489477792 332055318 /nfs/dbraw/zinc/05/53/18/332055318.db2.gz MKHKCBSLWMRUBA-ZDUSSCGKSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cn1 ZINC000489477792 332055320 /nfs/dbraw/zinc/05/53/20/332055320.db2.gz MKHKCBSLWMRUBA-ZDUSSCGKSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000489505440 332057204 /nfs/dbraw/zinc/05/72/04/332057204.db2.gz CUNQNLVYXZDPLW-GFCCVEGCSA-N 1 2 294.326 3.283 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000489505440 332057205 /nfs/dbraw/zinc/05/72/05/332057205.db2.gz CUNQNLVYXZDPLW-GFCCVEGCSA-N 1 2 294.326 3.283 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000490780263 332115088 /nfs/dbraw/zinc/11/50/88/332115088.db2.gz IKJLNWWEOQVLLD-INIZCTEOSA-N 1 2 293.370 3.070 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C2CC2)o1)[C@H]1CCc2ccccc21 ZINC000490780263 332115089 /nfs/dbraw/zinc/11/50/89/332115089.db2.gz IKJLNWWEOQVLLD-INIZCTEOSA-N 1 2 293.370 3.070 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000491072953 332147189 /nfs/dbraw/zinc/14/71/89/332147189.db2.gz WLZVYNGUBDTJCZ-UHFFFAOYSA-N 1 2 292.382 3.069 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000491072953 332147191 /nfs/dbraw/zinc/14/71/91/332147191.db2.gz WLZVYNGUBDTJCZ-UHFFFAOYSA-N 1 2 292.382 3.069 20 30 CGEDLO C#C[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)c1ccc(F)cc1 ZINC000491278446 332180042 /nfs/dbraw/zinc/18/00/42/332180042.db2.gz TYYMIUKNCBREMU-HNNXBMFYSA-N 1 2 297.333 3.334 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccnc1)c1ccc(Cl)cc1F ZINC000491570203 332240847 /nfs/dbraw/zinc/24/08/47/332240847.db2.gz ZQNMPNFDPRWDAI-OAHLLOKOSA-N 1 2 274.726 3.338 20 30 CGEDLO C#CC[N@@H+](Cc1ccncc1F)[C@H]1CCc2ccccc21 ZINC000491644806 332263144 /nfs/dbraw/zinc/26/31/44/332263144.db2.gz LUTOOSCPKUGZTP-SFHVURJKSA-N 1 2 280.346 3.343 20 30 CGEDLO C#CC[N@H+](Cc1ccncc1F)[C@H]1CCc2ccccc21 ZINC000491644806 332263146 /nfs/dbraw/zinc/26/31/46/332263146.db2.gz LUTOOSCPKUGZTP-SFHVURJKSA-N 1 2 280.346 3.343 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)C1CC1 ZINC000491708740 332301229 /nfs/dbraw/zinc/30/12/29/332301229.db2.gz HUFNQBWRQINLEP-UHFFFAOYSA-N 1 2 272.373 3.309 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2ccsc2)oc1C)C1CC1 ZINC000491708740 332301230 /nfs/dbraw/zinc/30/12/30/332301230.db2.gz HUFNQBWRQINLEP-UHFFFAOYSA-N 1 2 272.373 3.309 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1conc1C)c1ccc(Cl)cc1 ZINC000491723315 332308171 /nfs/dbraw/zinc/30/81/71/332308171.db2.gz BOIKVQHWJDWYAI-CQSZACIVSA-N 1 2 260.724 3.101 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc(O)c1OC)c1ccc(F)cc1 ZINC000491743807 332321864 /nfs/dbraw/zinc/32/18/64/332321864.db2.gz ICEYGJPXJXZZRL-HNNXBMFYSA-N 1 2 285.318 3.004 20 30 CGEDLO C#C[C@@H](CCC)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000491814520 332366009 /nfs/dbraw/zinc/36/60/09/332366009.db2.gz RSIMHDQBGHYHDJ-AWEZNQCLSA-N 1 2 294.354 3.406 20 30 CGEDLO C#CCN(C(=O)NCc1c[nH+]c(C)cc1C)C1CCCCC1 ZINC000491820603 332370136 /nfs/dbraw/zinc/37/01/36/332370136.db2.gz YERMRBNVTXLBCG-UHFFFAOYSA-N 1 2 299.418 3.176 20 30 CGEDLO CC#CCSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000176537177 333043143 /nfs/dbraw/zinc/04/31/43/333043143.db2.gz SKYJVNYWSHQSGA-ZDUSSCGKSA-N 1 2 294.468 3.206 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185878776 333150975 /nfs/dbraw/zinc/15/09/75/333150975.db2.gz PNAJMIIJLDGCEJ-MGPQQGTHSA-N 1 2 280.412 3.025 20 30 CGEDLO C=CC[C@H](CO)Nc1cc[nH+]c2c(OCCC)cccc12 ZINC000194738057 333276817 /nfs/dbraw/zinc/27/68/17/333276817.db2.gz OXPUXWUROUHRGA-CYBMUJFWSA-N 1 2 286.375 3.373 20 30 CGEDLO COC(=O)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000234559634 333361054 /nfs/dbraw/zinc/36/10/54/333361054.db2.gz RTYOZKDMSXUFAM-OAHLLOKOSA-N 1 2 288.391 3.210 20 30 CGEDLO C=C(CC)C[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000539114131 333658995 /nfs/dbraw/zinc/65/89/95/333658995.db2.gz DAWXKOAHGDDPHM-UHFFFAOYSA-N 1 2 253.386 3.054 20 30 CGEDLO N#CC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175137942 335175489 /nfs/dbraw/zinc/17/54/89/335175489.db2.gz PRMJICQUEBREJN-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000134932417 334108874 /nfs/dbraw/zinc/10/88/74/334108874.db2.gz DXNCFOPPQHDYNO-SFHVURJKSA-N 1 2 297.402 3.150 20 30 CGEDLO CC#CC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000550128838 334213903 /nfs/dbraw/zinc/21/39/03/334213903.db2.gz PDGKGKSJEACADD-UHFFFAOYSA-N 1 2 282.174 3.096 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000550128838 334213904 /nfs/dbraw/zinc/21/39/04/334213904.db2.gz PDGKGKSJEACADD-UHFFFAOYSA-N 1 2 282.174 3.096 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000550489640 334223379 /nfs/dbraw/zinc/22/33/79/334223379.db2.gz PESDPQLBEGQOAD-CYBMUJFWSA-N 1 2 254.333 3.358 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000550489640 334223380 /nfs/dbraw/zinc/22/33/80/334223380.db2.gz PESDPQLBEGQOAD-CYBMUJFWSA-N 1 2 254.333 3.358 20 30 CGEDLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000566136424 334626937 /nfs/dbraw/zinc/62/69/37/334626937.db2.gz ODVBSJBVTXLBLY-GXTWGEPZSA-N 1 2 251.333 3.069 20 30 CGEDLO C=CCC[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)c1ccccc1 ZINC000576596844 335224493 /nfs/dbraw/zinc/22/44/93/335224493.db2.gz AHWSFPNUDBFMGS-HIFRSBDPSA-N 1 2 283.375 3.337 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3cc(C#N)ccc3C)cn2c1 ZINC000178026367 335408787 /nfs/dbraw/zinc/40/87/87/335408787.db2.gz BVNJJILWDGIUMK-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO Cc1cccn2cc(CNc3ncc(C#N)cc3Cl)[nH+]c12 ZINC000180839448 335626057 /nfs/dbraw/zinc/62/60/57/335626057.db2.gz CIUZFFGFSMJUAN-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000578784759 335675041 /nfs/dbraw/zinc/67/50/41/335675041.db2.gz UIRYXJPCILOUEI-CQSZACIVSA-N 1 2 294.402 3.143 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000580842068 335974045 /nfs/dbraw/zinc/97/40/45/335974045.db2.gz VHYSXLUMVMHUAZ-NWDGAFQWSA-N 1 2 293.798 3.257 20 30 CGEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1c(F)cccc1F ZINC000195000496 336042537 /nfs/dbraw/zinc/04/25/37/336042537.db2.gz PLUKBIZZPOAGPD-NSHDSACASA-N 1 2 255.308 3.160 20 30 CGEDLO C=CC[N@H+](CCOC)[C@@H](C)c1c(F)cccc1F ZINC000195000496 336042539 /nfs/dbraw/zinc/04/25/39/336042539.db2.gz PLUKBIZZPOAGPD-NSHDSACASA-N 1 2 255.308 3.160 20 30 CGEDLO C[C@H]1C[N@H+](CC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC000334644969 533920080 /nfs/dbraw/zinc/92/00/80/533920080.db2.gz ACCVGEFGORFXPU-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC000334644969 533920102 /nfs/dbraw/zinc/92/01/02/533920102.db2.gz ACCVGEFGORFXPU-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO COc1ccccc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000177249053 534059639 /nfs/dbraw/zinc/05/96/39/534059639.db2.gz OYLXYXVIKHVQNW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000177249053 534059648 /nfs/dbraw/zinc/05/96/48/534059648.db2.gz OYLXYXVIKHVQNW-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1C[C@]12CCOC2 ZINC000330067134 534218728 /nfs/dbraw/zinc/21/87/28/534218728.db2.gz UFKXEHZBZKSZAU-DYVFJYSZSA-N 1 2 297.358 3.400 20 30 CGEDLO Cc1cccc(CCNc2c(F)cc(C#N)cc2F)[nH+]1 ZINC000359833195 534696368 /nfs/dbraw/zinc/69/63/68/534696368.db2.gz FMGMIPFCBWFXJD-UHFFFAOYSA-N 1 2 273.286 3.195 20 30 CGEDLO C=CCN(Cc1ccccc1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000351890558 526358586 /nfs/dbraw/zinc/35/85/86/526358586.db2.gz VFMWYAGCNBABQI-UHFFFAOYSA-N 1 2 278.359 3.459 20 30 CGEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC23CCC3)s1 ZINC000330140782 526891349 /nfs/dbraw/zinc/89/13/49/526891349.db2.gz PQQQLTSHYZBOCD-UHFFFAOYSA-N 1 2 294.424 3.052 20 30 CGEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC23CCC3)s1 ZINC000330140782 526891355 /nfs/dbraw/zinc/89/13/55/526891355.db2.gz PQQQLTSHYZBOCD-UHFFFAOYSA-N 1 2 294.424 3.052 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000367007202 527466485 /nfs/dbraw/zinc/46/64/85/527466485.db2.gz NQTYPTKSQQHOEV-ZDUSSCGKSA-N 1 2 288.395 3.414 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000367007202 527466489 /nfs/dbraw/zinc/46/64/89/527466489.db2.gz NQTYPTKSQQHOEV-ZDUSSCGKSA-N 1 2 288.395 3.414 20 30 CGEDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000450836384 536116879 /nfs/dbraw/zinc/11/68/79/536116879.db2.gz YSGXCDVBKIJCII-SNVBAGLBSA-N 1 2 289.770 3.305 20 30 CGEDLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccc(C#N)cc1 ZINC000727469313 571750040 /nfs/dbraw/zinc/75/00/40/571750040.db2.gz WFFNITBVDGELIG-LLVKDONJSA-N 1 2 267.332 3.274 20 30 CGEDLO C#Cc1cccc(N(C)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000728574206 571812183 /nfs/dbraw/zinc/81/21/83/571812183.db2.gz FUDUOKNCQOSTHI-UHFFFAOYSA-N 1 2 275.355 3.260 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000730146599 571951083 /nfs/dbraw/zinc/95/10/83/571951083.db2.gz BXCJURRSPLRDEF-UHFFFAOYSA-N 1 2 261.328 3.493 20 30 CGEDLO Oc1cccc2c1CCC2=NNc1cc[nH+]c2ccccc12 ZINC000730147401 571951270 /nfs/dbraw/zinc/95/12/70/571951270.db2.gz DGZPFBXKUBUXCP-UHFFFAOYSA-N 1 2 289.338 3.125 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1cnc2ccccc2n1 ZINC000730146965 571951306 /nfs/dbraw/zinc/95/13/06/571951306.db2.gz ITAZYRKIHCVZAX-UHFFFAOYSA-N 1 2 299.337 3.046 20 30 CGEDLO CCCCCCC[C@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000732275568 572457010 /nfs/dbraw/zinc/45/70/10/572457010.db2.gz LKWWRMLQLREMPF-LBPRGKRZSA-N 1 2 265.401 3.445 20 30 CGEDLO C=CCCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000740872224 572463570 /nfs/dbraw/zinc/46/35/70/572463570.db2.gz JCFAUHWAFMSGSE-UHFFFAOYSA-N 1 2 252.745 3.347 20 30 CGEDLO COc1cccc(C[C@H](C)/[NH+]=C\c2cc(OC)ccc2O)c1 ZINC000732926401 572494175 /nfs/dbraw/zinc/49/41/75/572494175.db2.gz OJPSVVPAGQKQOE-QXGSTRBFSA-N 1 2 299.370 3.460 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC000741465031 572500802 /nfs/dbraw/zinc/50/08/02/572500802.db2.gz SCFFNJOWKBUCDQ-WCOBSMKMSA-N 1 2 267.328 3.148 20 30 CGEDLO C#CCOc1cc(F)ccc1NCc1c[nH+]c2ccccn12 ZINC000742376583 572570562 /nfs/dbraw/zinc/57/05/62/572570562.db2.gz YRZFXYJKCYQLLP-UHFFFAOYSA-N 1 2 295.317 3.098 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]\CC[C@@H]2CCC[C@@H](C)C2)c1O ZINC000734366568 572650051 /nfs/dbraw/zinc/65/00/51/572650051.db2.gz XNXQCYMTKIEHSC-OYVKMAIOSA-N 1 2 290.407 3.223 20 30 CGEDLO CCO[C@H](CC/[NH+]=C\c1c(O)cccc1OC)C(C)C ZINC000746391839 572868748 /nfs/dbraw/zinc/86/87/48/572868748.db2.gz BWCOYUGKVPCHJJ-QJISPJEISA-N 1 2 279.380 3.271 20 30 CGEDLO C=CCCCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000748371193 572975159 /nfs/dbraw/zinc/97/51/59/572975159.db2.gz JVSVDGJJSOQIQW-MRXNPFEDSA-N 1 2 297.402 3.176 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCc2cccc(C)c2)c1 ZINC000749104524 572989065 /nfs/dbraw/zinc/98/90/65/572989065.db2.gz MLXXMHZTZMGUEY-PDGQHHTCSA-N 1 2 269.344 3.371 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CCc1cccc(C)c1 ZINC000749103957 572989093 /nfs/dbraw/zinc/98/90/93/572989093.db2.gz FYTMLHPOHZYGJW-PDGQHHTCSA-N 1 2 269.344 3.371 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2ccncc2)c1O ZINC000749846648 573047934 /nfs/dbraw/zinc/04/79/34/573047934.db2.gz ZDINCNUFPSAHKZ-MBNTZHJCSA-N 1 2 270.332 3.018 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000957433873 613295264 /nfs/dbraw/zinc/29/52/64/613295264.db2.gz BSCUPQAGDHJFPR-ZSHCYNCHSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000957823488 613320411 /nfs/dbraw/zinc/32/04/11/613320411.db2.gz VKEMQRKSSMCWKA-UHFFFAOYSA-N 1 2 292.448 3.205 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccccc2C2(C)CC2)C1 ZINC000951738362 613657987 /nfs/dbraw/zinc/65/79/87/613657987.db2.gz OGHGKGAGDUTIEX-UHFFFAOYSA-N 1 2 298.430 3.070 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006834317 618109498 /nfs/dbraw/zinc/10/94/98/618109498.db2.gz QXLQCWSRPFTERI-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006834317 618109501 /nfs/dbraw/zinc/10/95/01/618109501.db2.gz QXLQCWSRPFTERI-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO CC[C@H]([NH2+]CCc1cccc(C)n1)c1cccc(C#N)c1O ZINC000926329535 618474963 /nfs/dbraw/zinc/47/49/63/618474963.db2.gz SJBFIYAJXWFTBC-KRWDZBQOSA-N 1 2 295.386 3.251 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1nc2c(cccc2F)n1CC ZINC000934465460 618625065 /nfs/dbraw/zinc/62/50/65/618625065.db2.gz DPECGCMEKOGMLZ-LBPRGKRZSA-N 1 2 273.355 3.346 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc2c(cccc2F)n1CC ZINC000934465460 618625068 /nfs/dbraw/zinc/62/50/68/618625068.db2.gz DPECGCMEKOGMLZ-LBPRGKRZSA-N 1 2 273.355 3.346 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468018 618626262 /nfs/dbraw/zinc/62/62/62/618626262.db2.gz YHFZEXGLAQBENE-NEPJUHHUSA-N 1 2 269.348 3.047 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468018 618626263 /nfs/dbraw/zinc/62/62/63/618626263.db2.gz YHFZEXGLAQBENE-NEPJUHHUSA-N 1 2 269.348 3.047 20 30 CGEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccccc1N(C)C ZINC000781132405 618693714 /nfs/dbraw/zinc/69/37/14/618693714.db2.gz LLJFGOJTXFMSKS-UHFFFAOYSA-N 1 2 272.327 3.123 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc(C#N)c1O ZINC000926583301 618753014 /nfs/dbraw/zinc/75/30/14/618753014.db2.gz UZCHSFWUVJBOQK-OSMZGAPFSA-N 1 2 276.405 3.199 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(C#N)c1O ZINC000926586456 618754025 /nfs/dbraw/zinc/75/40/25/618754025.db2.gz XSOLNJLMDVJVSM-HLSYRSCKSA-N 1 2 288.391 3.118 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccs1 ZINC000255829396 618795068 /nfs/dbraw/zinc/79/50/68/618795068.db2.gz XSWOSPCMIHXPIU-SREVYHEPSA-N 1 2 254.314 3.292 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000926729483 618847516 /nfs/dbraw/zinc/84/75/16/618847516.db2.gz YRNRPDOGVCNVDT-UKRRQHHQSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CCC(C)(C)COC)c1cccc(C#N)c1O ZINC000926821208 618916421 /nfs/dbraw/zinc/91/64/21/618916421.db2.gz HLSMEIYGTDVSRE-OAHLLOKOSA-N 1 2 290.407 3.367 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000892912524 618952180 /nfs/dbraw/zinc/95/21/80/618952180.db2.gz VASUGJLXCDYCKN-SUMWQHHRSA-N 1 2 298.365 3.290 20 30 CGEDLO C#CCOc1ccccc1NCc1c[nH+]c2c(C)cccn12 ZINC000185173832 625315647 /nfs/dbraw/zinc/31/56/47/625315647.db2.gz QHAQVSWVCJACDW-UHFFFAOYSA-N 1 2 291.354 3.267 20 30 CGEDLO COc1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)on1 ZINC000925601804 619081335 /nfs/dbraw/zinc/08/13/35/619081335.db2.gz OWVUUFPAXKHLMJ-TZMCWYRMSA-N 1 2 285.347 3.379 20 30 CGEDLO Cc1cc(C)c(CNC(=O)c2cc(C)c(C#N)c(C)c2)c[nH+]1 ZINC000909386066 619209200 /nfs/dbraw/zinc/20/92/00/619209200.db2.gz CNEZVXBCULJUEJ-UHFFFAOYSA-N 1 2 293.370 3.117 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893606442 619235485 /nfs/dbraw/zinc/23/54/85/619235485.db2.gz PQUQXSXTZWAVQD-QMMMGPOBSA-N 1 2 277.315 3.030 20 30 CGEDLO Cc1ccc(C[N@H+](CCC#N)CC2CC2)nc1Cl ZINC000878159319 619421808 /nfs/dbraw/zinc/42/18/08/619421808.db2.gz ICDLKGWKBAMTQF-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)nc1Cl ZINC000878159319 619421812 /nfs/dbraw/zinc/42/18/12/619421812.db2.gz ICDLKGWKBAMTQF-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc(C#N)c1O ZINC000924955605 619459951 /nfs/dbraw/zinc/45/99/51/619459951.db2.gz SVPCYBHDHYJDIG-XJKSGUPXSA-N 1 2 289.423 3.035 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccccc1 ZINC000894435957 619535259 /nfs/dbraw/zinc/53/52/59/619535259.db2.gz SNKGQWFBLVBCOR-UHFFFAOYSA-N 1 2 279.387 3.244 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccccc1 ZINC000894435957 619535261 /nfs/dbraw/zinc/53/52/61/619535261.db2.gz SNKGQWFBLVBCOR-UHFFFAOYSA-N 1 2 279.387 3.244 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)o1 ZINC000178944216 619705994 /nfs/dbraw/zinc/70/59/94/619705994.db2.gz DAQLPDJVEFEKET-VOTSOKGWSA-N 1 2 252.273 3.132 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCC[C@H]2CCOC2)c1O ZINC000840708873 620097637 /nfs/dbraw/zinc/09/76/37/620097637.db2.gz FJHFXBUCSMCSKJ-MFVBVHDHSA-N 1 2 277.364 3.027 20 30 CGEDLO CCC[C@H](CCO)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925186971 620221161 /nfs/dbraw/zinc/22/11/61/620221161.db2.gz UWAJBEIZRJGYDE-CZUORRHYSA-N 1 2 290.407 3.103 20 30 CGEDLO Cc1occc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897595913 620406202 /nfs/dbraw/zinc/40/62/02/620406202.db2.gz JBDQBJSKWMQLFQ-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1occc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897595913 620406204 /nfs/dbraw/zinc/40/62/04/620406204.db2.gz JBDQBJSKWMQLFQ-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000989453958 620480772 /nfs/dbraw/zinc/48/07/72/620480772.db2.gz CWTYBTQVXKALGT-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000989453958 620480774 /nfs/dbraw/zinc/48/07/74/620480774.db2.gz CWTYBTQVXKALGT-CQSZACIVSA-N 1 2 298.858 3.100 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC000898524941 620595939 /nfs/dbraw/zinc/59/59/39/620595939.db2.gz UQYHUBAFFDIDBC-LBPRGKRZSA-N 1 2 288.382 3.235 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000899227521 620626862 /nfs/dbraw/zinc/62/68/62/620626862.db2.gz MTKMBQNGOXFFKS-HIXWQLQUSA-N 1 2 289.375 3.312 20 30 CGEDLO CCn1c[nH+]cc1/C=C/C(=O)c1ccc(C)cc1C ZINC000901431578 620886631 /nfs/dbraw/zinc/88/66/31/620886631.db2.gz UVTDBKMSMRURLH-SOFGYWHQSA-N 1 2 254.333 3.416 20 30 CGEDLO CC(C)Oc1ccc(C(=O)/C=C\c2c[nH+]cn2C)cc1 ZINC000901439782 620888047 /nfs/dbraw/zinc/88/80/47/620888047.db2.gz WNEQQZBAGRLRDF-TWGQIWQCSA-N 1 2 270.332 3.103 20 30 CGEDLO COc1cccc2c1OC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901459348 620893754 /nfs/dbraw/zinc/89/37/54/620893754.db2.gz LWNRXERZYIBYIY-GHXNOFRVSA-N 1 2 298.342 3.131 20 30 CGEDLO CCOc1cccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)c1 ZINC000901467864 620896094 /nfs/dbraw/zinc/89/60/94/620896094.db2.gz JGQALVKPYPTJLH-CMDGGOBGSA-N 1 2 270.332 3.321 20 30 CGEDLO Cn1c[nH+]cc1/C=C1\C(=O)c2cccc3c2[C@@H]1CCC3 ZINC000901489565 620898730 /nfs/dbraw/zinc/89/87/30/620898730.db2.gz LYUHDHZHFXQCGC-ATDKOCKZSA-N 1 2 264.328 3.120 20 30 CGEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C/c1c[nH+]cn1C)CCO2 ZINC000901485993 620910108 /nfs/dbraw/zinc/91/01/08/620910108.db2.gz UFAWSUPCSQMUOH-MDWZMJQESA-N 1 2 282.343 3.086 20 30 CGEDLO C[C@H]1C/C(=C/c2c[nH+]cn2C)C(=O)c2sccc21 ZINC000901520818 620912478 /nfs/dbraw/zinc/91/24/78/620912478.db2.gz ZCPRFRJFTXLTLR-LKJZUNMESA-N 1 2 258.346 3.255 20 30 CGEDLO Cc1[nH]c(/C=C2\CCc3c(F)cccc3C2=O)[nH+]c1C ZINC000901544361 620933039 /nfs/dbraw/zinc/93/30/39/620933039.db2.gz PKBMTFPSUWOGSG-DHZHZOJOSA-N 1 2 270.307 3.378 20 30 CGEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)c(C)c1 ZINC000902068191 621124313 /nfs/dbraw/zinc/12/43/13/621124313.db2.gz XIICHLQBBRIIDV-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(OCC)sc1=S ZINC000902670013 621396420 /nfs/dbraw/zinc/39/64/20/621396420.db2.gz WVAZQKXSIOXMTE-UHFFFAOYSA-N 1 2 287.454 3.318 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(OCC)sc1=S ZINC000902670013 621396422 /nfs/dbraw/zinc/39/64/22/621396422.db2.gz WVAZQKXSIOXMTE-UHFFFAOYSA-N 1 2 287.454 3.318 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(C#N)ccn1 ZINC000903052979 621557495 /nfs/dbraw/zinc/55/74/95/621557495.db2.gz MOIOTBYIDOCGGP-ZDUSSCGKSA-N 1 2 268.364 3.078 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cc(O)ccc1F ZINC000903109480 621582675 /nfs/dbraw/zinc/58/26/75/621582675.db2.gz PRHWNHWFXYMPQI-NSHDSACASA-N 1 2 262.328 3.266 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cn2ccccc2n1 ZINC000903109775 621583456 /nfs/dbraw/zinc/58/34/56/621583456.db2.gz UZPSIXFLLAIFHB-CYBMUJFWSA-N 1 2 268.364 3.069 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C(=O)OC ZINC000905764774 622108496 /nfs/dbraw/zinc/10/84/96/622108496.db2.gz UAPYBUFBTIYAHP-BMFZPTHFSA-N 1 2 291.366 3.169 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000770665336 625599466 /nfs/dbraw/zinc/59/94/66/625599466.db2.gz CUADQQRSJGFATJ-GFCCVEGCSA-N 1 2 260.312 3.037 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000770665336 625599475 /nfs/dbraw/zinc/59/94/75/625599475.db2.gz CUADQQRSJGFATJ-GFCCVEGCSA-N 1 2 260.312 3.037 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OCc1csc(C2CC2)n1 ZINC000153093831 623783824 /nfs/dbraw/zinc/78/38/24/623783824.db2.gz BXAKGYJXZQEOEI-UHFFFAOYSA-N 1 2 287.388 3.052 20 30 CGEDLO C#CC[NH+](Cc1ccccc1OC)Cc1ccccc1OC ZINC000914866192 623871540 /nfs/dbraw/zinc/87/15/40/623871540.db2.gz HRFPTQYADDYWPE-UHFFFAOYSA-N 1 2 295.382 3.339 20 30 CGEDLO Fc1cccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000920384541 624487821 /nfs/dbraw/zinc/48/78/21/624487821.db2.gz WVCNZMYQKCYYKF-UHFFFAOYSA-N 1 2 280.306 3.457 20 30 CGEDLO C[C@@H](NN=C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000920382138 624486031 /nfs/dbraw/zinc/48/60/31/624486031.db2.gz DGMMUSNVHXWJAH-OAHLLOKOSA-N 1 2 294.402 3.389 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2ccccc2)c1 ZINC000920943563 624555972 /nfs/dbraw/zinc/55/59/72/624555972.db2.gz OSICEYXMNJDWTM-AQTBWJFISA-N 1 2 269.344 3.453 20 30 CGEDLO C=CCC1(C(=O)OCCCn2cc[nH+]c2)CCCCC1 ZINC000838153168 626194442 /nfs/dbraw/zinc/19/44/42/626194442.db2.gz CXKFKZMRFCTPIU-UHFFFAOYSA-N 1 2 276.380 3.343 20 30 CGEDLO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000839163135 626330093 /nfs/dbraw/zinc/33/00/93/626330093.db2.gz IUEZHNGWWIXJKF-UHFFFAOYSA-N 1 2 270.735 3.214 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)C)c(C)s1 ZINC000756888758 626739539 /nfs/dbraw/zinc/73/95/39/626739539.db2.gz WNMWSLDDQQLXSZ-UHFFFAOYSA-N 1 2 294.420 3.215 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)C)c(C)s1 ZINC000756888758 626739540 /nfs/dbraw/zinc/73/95/40/626739540.db2.gz WNMWSLDDQQLXSZ-UHFFFAOYSA-N 1 2 294.420 3.215 20 30 CGEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1ccc(N)cc1C ZINC000758108520 626827558 /nfs/dbraw/zinc/82/75/58/626827558.db2.gz DNKIUZUXFPSHGK-UHFFFAOYSA-N 1 2 291.358 3.357 20 30 CGEDLO CC(=[NH+]Nc1ccc(C)cn1)c1ccc(N)cc1C ZINC000758120825 626828394 /nfs/dbraw/zinc/82/83/94/626828394.db2.gz RAMOGBYXEBVBAS-UHFFFAOYSA-N 1 2 254.337 3.117 20 30 CGEDLO COc1cccc2c1C/C(=C/c1c[nH+]c3ccccn13)C2=O ZINC000759663341 626912935 /nfs/dbraw/zinc/91/29/35/626912935.db2.gz CDVCFZMIARVPLC-XFXZXTDPSA-N 1 2 290.322 3.165 20 30 CGEDLO Cc1cccc(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000764709538 627219638 /nfs/dbraw/zinc/21/96/38/627219638.db2.gz LUKTYFBEITUVCT-UHFFFAOYSA-N 1 2 290.370 3.304 20 30 CGEDLO O=C1c2cccc(F)c2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769610331 627569501 /nfs/dbraw/zinc/56/95/01/627569501.db2.gz OULVJFQWVHDXDM-PKNBQFBNSA-N 1 2 278.286 3.296 20 30 CGEDLO CCC(CC)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000774473662 627995690 /nfs/dbraw/zinc/99/56/90/627995690.db2.gz UKWAXRBTQQMSGF-UHFFFAOYSA-N 1 2 270.380 3.232 20 30 CGEDLO CCN(CC)c1ncc(C=[NH+]OC2CCCC2)s1 ZINC000774601337 628008232 /nfs/dbraw/zinc/00/82/32/628008232.db2.gz BWPZVMHRGWAFTP-UHFFFAOYSA-N 1 2 267.398 3.282 20 30 CGEDLO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000776719757 628226982 /nfs/dbraw/zinc/22/69/82/628226982.db2.gz LMNWLUBQPBDCEU-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000776719757 628226987 /nfs/dbraw/zinc/22/69/87/628226987.db2.gz LMNWLUBQPBDCEU-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1F ZINC000776730027 628227860 /nfs/dbraw/zinc/22/78/60/628227860.db2.gz ZWRZSNNKIJFWOG-VOTSOKGWSA-N 1 2 291.285 3.241 20 30 CGEDLO CC(C)(C)CCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782902492 628666408 /nfs/dbraw/zinc/66/64/08/628666408.db2.gz ATPBDIPKZGEIQC-UHFFFAOYSA-N 1 2 270.380 3.232 20 30 CGEDLO C#CC[N@@H+](Cc1cccnc1OC)[C@@H]1CCc2ccccc21 ZINC000785661882 628877958 /nfs/dbraw/zinc/87/79/58/628877958.db2.gz YCSWRZNWDLSXEX-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO C#CC[N@H+](Cc1cccnc1OC)[C@@H]1CCc2ccccc21 ZINC000785661882 628877961 /nfs/dbraw/zinc/87/79/61/628877961.db2.gz YCSWRZNWDLSXEX-GOSISDBHSA-N 1 2 292.382 3.213 20 30 CGEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N)cc1C ZINC000790185858 629191067 /nfs/dbraw/zinc/19/10/67/629191067.db2.gz JVEFTJNXHUDDQG-UHFFFAOYSA-N 1 2 254.337 3.117 20 30 CGEDLO C=CCOc1ccc(C=NNc2[nH+]ccn2C)cc1Cl ZINC000790306009 629202826 /nfs/dbraw/zinc/20/28/26/629202826.db2.gz SMSQIFZQDRHMIK-UHFFFAOYSA-N 1 2 290.754 3.084 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792898831 629392209 /nfs/dbraw/zinc/39/22/09/629392209.db2.gz HMJSRXGSWGBMFV-DTWKUNHWSA-N 1 2 299.039 3.411 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792898831 629392204 /nfs/dbraw/zinc/39/22/04/629392204.db2.gz HMJSRXGSWGBMFV-DTWKUNHWSA-N 1 2 299.039 3.411 20 30 CGEDLO CO[C@@H]1C[C@H](c2ccccc2)CCC1=[NH+]n1cccn1 ZINC000863163886 629486328 /nfs/dbraw/zinc/48/63/28/629486328.db2.gz SETQNRWXCRZGPM-GDBMZVCRSA-N 1 2 269.348 3.070 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000793594446 629487846 /nfs/dbraw/zinc/48/78/46/629487846.db2.gz YAVKXZQOGXBMTA-VIFPVBQESA-N 1 2 275.245 3.178 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000793594446 629487851 /nfs/dbraw/zinc/48/78/51/629487851.db2.gz YAVKXZQOGXBMTA-VIFPVBQESA-N 1 2 275.245 3.178 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(F)c2)s1 ZINC000794692988 629568071 /nfs/dbraw/zinc/56/80/71/629568071.db2.gz ZFJBBHHWNZAWOH-VOTSOKGWSA-N 1 2 290.363 3.240 20 30 CGEDLO C=C(C)CCc1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000795768840 629714420 /nfs/dbraw/zinc/71/44/20/629714420.db2.gz NLELMHLIKIOUHX-UHFFFAOYSA-N 1 2 280.331 3.431 20 30 CGEDLO CC(C)(C)c1cn(CCOc2ccccc2C#N)c[nH+]1 ZINC000865375932 630086482 /nfs/dbraw/zinc/08/64/82/630086482.db2.gz RFABVHDTTNDBLZ-UHFFFAOYSA-N 1 2 269.348 3.131 20 30 CGEDLO COc1ccccc1CO[NH+]=Cc1ccc(N(C)C)s1 ZINC000799118066 630146481 /nfs/dbraw/zinc/14/64/81/630146481.db2.gz SBEPKRBBQOPNNZ-UHFFFAOYSA-N 1 2 290.388 3.373 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)oc1C ZINC000799896177 630241011 /nfs/dbraw/zinc/24/10/11/630241011.db2.gz HBMWSARNDUWXSB-SREVYHEPSA-N 1 2 266.300 3.440 20 30 CGEDLO C=CCCCCCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000804599122 630541937 /nfs/dbraw/zinc/54/19/37/630541937.db2.gz VHJFPWLZYSAMAR-LFIBNONCSA-N 1 2 263.337 3.359 20 30 CGEDLO C#CCCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806141501 630547600 /nfs/dbraw/zinc/54/76/00/630547600.db2.gz KEBCQBLRRPHTPM-ZDUSSCGKSA-N 1 2 251.757 3.500 20 30 CGEDLO C#C[C@H]([NH2+][C@H](CC)c1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000806157614 630550636 /nfs/dbraw/zinc/55/06/36/630550636.db2.gz AHDQXNOSKGEJBD-QLFBSQMISA-N 1 2 293.794 3.267 20 30 CGEDLO COCC(C)(C)CCC/[NH+]=C/c1cc(OC)ccc1O ZINC000806550973 630565814 /nfs/dbraw/zinc/56/58/14/630565814.db2.gz PDCZQRSOLJADRK-GZTJUZNOSA-N 1 2 279.380 3.273 20 30 CGEDLO CCCCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808775991 630676268 /nfs/dbraw/zinc/67/62/68/630676268.db2.gz PFQKWVASAUAWBC-ZDUSSCGKSA-N 1 2 280.416 3.050 20 30 CGEDLO CCCCCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808775991 630676271 /nfs/dbraw/zinc/67/62/71/630676271.db2.gz PFQKWVASAUAWBC-ZDUSSCGKSA-N 1 2 280.416 3.050 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809951667 630818895 /nfs/dbraw/zinc/81/88/95/630818895.db2.gz HXVVELFXJQNDEZ-UHFFFAOYSA-N 1 2 287.146 3.357 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809951667 630818899 /nfs/dbraw/zinc/81/88/99/630818899.db2.gz HXVVELFXJQNDEZ-UHFFFAOYSA-N 1 2 287.146 3.357 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2cccc3ccccc32)n1C ZINC000811640680 631095471 /nfs/dbraw/zinc/09/54/71/631095471.db2.gz YOBSYEWYVFJVNN-UHFFFAOYSA-N 1 2 293.374 3.085 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876532214 634851864 /nfs/dbraw/zinc/85/18/64/634851864.db2.gz ZQHQFQUFOIXWJN-AWEZNQCLSA-N 1 2 294.402 3.003 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876532214 634851867 /nfs/dbraw/zinc/85/18/67/634851867.db2.gz ZQHQFQUFOIXWJN-AWEZNQCLSA-N 1 2 294.402 3.003 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC000814170820 631537249 /nfs/dbraw/zinc/53/72/49/631537249.db2.gz DDQOBQUDQXVWNU-UHFFFAOYSA-N 1 2 264.756 3.256 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC000814170820 631537254 /nfs/dbraw/zinc/53/72/54/631537254.db2.gz DDQOBQUDQXVWNU-UHFFFAOYSA-N 1 2 264.756 3.256 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)=NOCCC1CC1 ZINC000814244595 631558984 /nfs/dbraw/zinc/55/89/84/631558984.db2.gz BCWJFBAHWDCTKS-UHFFFAOYSA-N 1 2 258.365 3.195 20 30 CGEDLO CCCCCNC(=S)N[NH+]=C(CC)c1cccc(N)c1 ZINC000814763703 631635541 /nfs/dbraw/zinc/63/55/41/631635541.db2.gz JORVCBZOBHQYIR-UHFFFAOYSA-N 1 2 292.452 3.037 20 30 CGEDLO CC(=[NH+]Nc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814815135 631648022 /nfs/dbraw/zinc/64/80/22/631648022.db2.gz NYBUSUQCUYUCAH-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H]2CC23CCSCC3)c1O ZINC000817707388 632202070 /nfs/dbraw/zinc/20/20/70/632202070.db2.gz JJHAJOQTEPOJLQ-VZWMTCDZSA-N 1 2 291.416 3.353 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CC12CCSCC2 ZINC000817708047 632202368 /nfs/dbraw/zinc/20/23/68/632202368.db2.gz RMQBNWOWTOFARQ-ATTDUZETSA-N 1 2 261.390 3.344 20 30 CGEDLO CCCNc1cc(NCC(C)(C)CCC#N)nc[nH+]1 ZINC000865810109 632897960 /nfs/dbraw/zinc/89/79/60/632897960.db2.gz JTJVUUVQJSWXRE-UHFFFAOYSA-N 1 2 261.373 3.040 20 30 CGEDLO CCCNc1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000865810109 632897966 /nfs/dbraw/zinc/89/79/66/632897966.db2.gz JTJVUUVQJSWXRE-UHFFFAOYSA-N 1 2 261.373 3.040 20 30 CGEDLO CC(C)(CC#N)CNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865870511 632928781 /nfs/dbraw/zinc/92/87/81/632928781.db2.gz VJOSKQBHILAXDR-UHFFFAOYSA-N 1 2 295.390 3.440 20 30 CGEDLO CC(C)(CC#N)CNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865870511 632928792 /nfs/dbraw/zinc/92/87/92/632928792.db2.gz VJOSKQBHILAXDR-UHFFFAOYSA-N 1 2 295.390 3.440 20 30 CGEDLO CCCCOCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866212584 633030747 /nfs/dbraw/zinc/03/07/47/633030747.db2.gz IBZJIDAWPNWFPJ-CYBMUJFWSA-N 1 2 276.380 3.121 20 30 CGEDLO Cc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866230781 633035695 /nfs/dbraw/zinc/03/56/95/633035695.db2.gz CJQHDYPVBQIACK-LBPRGKRZSA-N 1 2 270.332 3.059 20 30 CGEDLO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269592 633055296 /nfs/dbraw/zinc/05/52/96/633055296.db2.gz JZXVFCAHTFTGGI-JSGCOSHPSA-N 1 2 276.380 3.120 20 30 CGEDLO COCC1(CC[NH2+][C@H](C)c2cccc(C#N)c2O)CCC1 ZINC000866364162 633102810 /nfs/dbraw/zinc/10/28/10/633102810.db2.gz PUGZTNZNORINEI-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000866368462 633105754 /nfs/dbraw/zinc/10/57/54/633105754.db2.gz CKUNSRUHDBDZRW-STQMWFEESA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000866368459 633105877 /nfs/dbraw/zinc/10/58/77/633105877.db2.gz CKUNSRUHDBDZRW-CHWSQXEVSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000866368461 633105948 /nfs/dbraw/zinc/10/59/48/633105948.db2.gz CKUNSRUHDBDZRW-QWHCGFSZSA-N 1 2 288.391 3.120 20 30 CGEDLO COCC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCCC1 ZINC000866369254 633106507 /nfs/dbraw/zinc/10/65/07/633106507.db2.gz KCAOVHMIUMGBPB-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO Cc1cc(Br)cc(C[NH+]2CC(CC#N)C2)c1 ZINC000826990794 633447098 /nfs/dbraw/zinc/44/70/98/633447098.db2.gz MSOZSOVRWNPWLI-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000827651046 633507527 /nfs/dbraw/zinc/50/75/27/633507527.db2.gz YUJZOUUJIGJCOZ-AWEZNQCLSA-N 1 2 266.747 3.257 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000827651046 633507530 /nfs/dbraw/zinc/50/75/30/633507530.db2.gz YUJZOUUJIGJCOZ-AWEZNQCLSA-N 1 2 266.747 3.257 20 30 CGEDLO C#CC[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000831817972 634003566 /nfs/dbraw/zinc/00/35/66/634003566.db2.gz GVNPLALOLOVGEK-OAHLLOKOSA-N 1 2 285.391 3.274 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000834658241 634210939 /nfs/dbraw/zinc/21/09/39/634210939.db2.gz OJDMHHLOYLDMKG-LBPRGKRZSA-N 1 2 275.783 3.490 20 30 CGEDLO Cc1cccc(Cl)c1N[NH2+]C1=CC(=O)N2CCCC[C@H]12 ZINC000835011783 634315992 /nfs/dbraw/zinc/31/59/92/634315992.db2.gz TZXWUDHVWQEYGH-CYBMUJFWSA-N 1 2 291.782 3.201 20 30 CGEDLO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)c(Cl)c1 ZINC000835012708 634316686 /nfs/dbraw/zinc/31/66/86/634316686.db2.gz ZETLNWIATHFHBU-AWEZNQCLSA-N 1 2 291.782 3.201 20 30 CGEDLO COc1cnc(F)c(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000877116535 634989215 /nfs/dbraw/zinc/98/92/15/634989215.db2.gz PROMLONMVOBQLV-INIZCTEOSA-N 1 2 299.349 3.364 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000877365090 635031315 /nfs/dbraw/zinc/03/13/15/635031315.db2.gz OJQJFVIGHGCMDU-JTQLQIEISA-N 1 2 272.270 3.209 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCOC(C)(C)C2)c1 ZINC000840709556 635038859 /nfs/dbraw/zinc/03/88/59/635038859.db2.gz JYFARVHFQAKVSP-OOIIIRTPSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1c(Cl)cccc1N=NCC(C)(C)[NH+]1CCOCC1 ZINC000841618319 635198574 /nfs/dbraw/zinc/19/85/74/635198574.db2.gz SCQVUNKLWMVIJU-UHFFFAOYSA-N 1 2 295.814 3.157 20 30 CGEDLO C[N@H+](CCC#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878175363 635395484 /nfs/dbraw/zinc/39/54/84/635395484.db2.gz QAPJZFXLEUUBCK-HZPDHXFCSA-N 1 2 258.365 3.142 20 30 CGEDLO C[N@@H+](CCC#N)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878175363 635395489 /nfs/dbraw/zinc/39/54/89/635395489.db2.gz QAPJZFXLEUUBCK-HZPDHXFCSA-N 1 2 258.365 3.142 20 30 CGEDLO COc1ccc([C@H]2C[N@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000879633857 635824128 /nfs/dbraw/zinc/82/41/28/635824128.db2.gz LQRAKXSOHOQEKF-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccc([C@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000879633857 635824132 /nfs/dbraw/zinc/82/41/32/635824132.db2.gz LQRAKXSOHOQEKF-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879747242 635850441 /nfs/dbraw/zinc/85/04/41/635850441.db2.gz LLVGCFHFXDQHQG-ZDUSSCGKSA-N 1 2 281.197 3.436 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879747242 635850444 /nfs/dbraw/zinc/85/04/44/635850444.db2.gz LLVGCFHFXDQHQG-ZDUSSCGKSA-N 1 2 281.197 3.436 20 30 CGEDLO C[C@@H](c1ccccc1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000880249822 635956401 /nfs/dbraw/zinc/95/64/01/635956401.db2.gz HDLXDNHIYZOGJM-INIZCTEOSA-N 1 2 283.419 3.059 20 30 CGEDLO C[C@H](c1ccccc1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000880249824 635956900 /nfs/dbraw/zinc/95/69/00/635956900.db2.gz HDLXDNHIYZOGJM-MRXNPFEDSA-N 1 2 283.419 3.059 20 30 CGEDLO C=CCCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845286078 636020163 /nfs/dbraw/zinc/02/01/63/636020163.db2.gz UEJTUKGJPJKNLV-CHWSQXEVSA-N 1 2 250.342 3.122 20 30 CGEDLO C=CCC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000845493567 636040156 /nfs/dbraw/zinc/04/01/56/636040156.db2.gz KOOHFHJGWUJXHI-JSGCOSHPSA-N 1 2 262.353 3.122 20 30 CGEDLO C#CC[C@H](Cc1ccccc1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845559758 636048273 /nfs/dbraw/zinc/04/82/73/636048273.db2.gz ZTRMPMKNDGTDNA-NVXWUHKLSA-N 1 2 296.370 3.012 20 30 CGEDLO C[C@@H]([NH2+]CCC#N)c1ccc(-c2ccccc2)cn1 ZINC000845964588 636124959 /nfs/dbraw/zinc/12/49/59/636124959.db2.gz ISNXVRAPKOYLFE-CYBMUJFWSA-N 1 2 251.333 3.313 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000846980667 636298326 /nfs/dbraw/zinc/29/83/26/636298326.db2.gz SCXVOJQEKSSNPK-LBPRGKRZSA-N 1 2 281.197 3.088 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000846980667 636298337 /nfs/dbraw/zinc/29/83/37/636298337.db2.gz SCXVOJQEKSSNPK-LBPRGKRZSA-N 1 2 281.197 3.088 20 30 CGEDLO CC[C@@H]1CCC[C@H](CN=NCCCn2cc[nH+]c2)C1 ZINC000848416954 636571825 /nfs/dbraw/zinc/57/18/25/636571825.db2.gz FQBOJOGOSVVYLG-CABCVRRESA-N 1 2 262.401 3.065 20 30 CGEDLO C=CCOc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000883308363 636659860 /nfs/dbraw/zinc/65/98/60/636659860.db2.gz NQCZVQFHVXGMQG-UHFFFAOYSA-N 1 2 295.386 3.210 20 30 CGEDLO O=C1c2ccccc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000133158260 636878241 /nfs/dbraw/zinc/87/82/41/636878241.db2.gz SNOYQGOPEYOQGW-JLHYYAGUSA-N 1 2 260.296 3.157 20 30 CGEDLO CCc1nc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)co1 ZINC000850316279 637015603 /nfs/dbraw/zinc/01/56/03/637015603.db2.gz HKQDVVPVZVZPDX-UHFFFAOYSA-N 1 2 281.359 3.082 20 30 CGEDLO C#CC[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000884595301 637088560 /nfs/dbraw/zinc/08/85/60/637088560.db2.gz DKUHZCPVIPOOPK-LBPRGKRZSA-N 1 2 254.308 3.224 20 30 CGEDLO CC[N@H+](C[C@@H](C)COCc1ccccc1)[C@@H](C)C#N ZINC000886284387 637484439 /nfs/dbraw/zinc/48/44/39/637484439.db2.gz WBIOUZBZVGTEKM-CABCVRRESA-N 1 2 260.381 3.073 20 30 CGEDLO CC[N@@H+](C[C@@H](C)COCc1ccccc1)[C@@H](C)C#N ZINC000886284387 637484444 /nfs/dbraw/zinc/48/44/44/637484444.db2.gz WBIOUZBZVGTEKM-CABCVRRESA-N 1 2 260.381 3.073 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000852098896 637592579 /nfs/dbraw/zinc/59/25/79/637592579.db2.gz YQGCUVHLNCHBOE-HNNXBMFYSA-N 1 2 289.766 3.282 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681831 637694701 /nfs/dbraw/zinc/69/47/01/637694701.db2.gz XZZBDNVMWZSOHC-CYBMUJFWSA-N 1 2 282.181 3.048 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681831 637694708 /nfs/dbraw/zinc/69/47/08/637694708.db2.gz XZZBDNVMWZSOHC-CYBMUJFWSA-N 1 2 282.181 3.048 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@@H]2CC(C)(C)CO2)c1O ZINC000887270773 637788014 /nfs/dbraw/zinc/78/80/14/637788014.db2.gz TWCXBYHCHKOQBR-VGSSETLESA-N 1 2 277.364 3.025 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCO[C@H](C)C1 ZINC000853467140 637850168 /nfs/dbraw/zinc/85/01/68/637850168.db2.gz CTDCYLHVIUMOMW-HUUCEWRRSA-N 1 2 288.391 3.101 20 30 CGEDLO C=CC[N@H+](Cn1cc(C(C)C)n(C)c1=S)[C@H](C)COC ZINC000853535427 637864172 /nfs/dbraw/zinc/86/41/72/637864172.db2.gz VCWIWAXLSINPQR-CYBMUJFWSA-N 1 2 297.468 3.160 20 30 CGEDLO C=CC[N@@H+](Cn1cc(C(C)C)n(C)c1=S)[C@H](C)COC ZINC000853535427 637864175 /nfs/dbraw/zinc/86/41/75/637864175.db2.gz VCWIWAXLSINPQR-CYBMUJFWSA-N 1 2 297.468 3.160 20 30 CGEDLO CCCCCCCC[C@@H](C)C(=O)NCc1c[nH+]cn1C ZINC000854498714 638060983 /nfs/dbraw/zinc/06/09/83/638060983.db2.gz KOXMRIIRNILTGP-CQSZACIVSA-N 1 2 279.428 3.423 20 30 CGEDLO CC[C@H]([NH2+]C[C@H](C)SC)c1cccc(C#N)c1O ZINC000925600560 638541679 /nfs/dbraw/zinc/54/16/79/638541679.db2.gz HKRDICXDVYRYGB-GWCFXTLKSA-N 1 2 264.394 3.056 20 30 CGEDLO CC[C@@H]([NH2+]CC(CC)(CC)CO)c1cccc(C#N)c1O ZINC000925619744 638546309 /nfs/dbraw/zinc/54/63/09/638546309.db2.gz ALRHQGLXWZQOQM-OAHLLOKOSA-N 1 2 290.407 3.103 20 30 CGEDLO CC[C@H]([NH2+]CCCCF)c1cccc(C#N)c1O ZINC000926462632 638774191 /nfs/dbraw/zinc/77/41/91/638774191.db2.gz AFXQNSPRSFQBCC-ZDUSSCGKSA-N 1 2 250.317 3.054 20 30 CGEDLO CCC[C@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1O)OC ZINC000926503829 638778805 /nfs/dbraw/zinc/77/88/05/638778805.db2.gz YRIYKTDDENNVIW-HIFRSBDPSA-N 1 2 276.380 3.120 20 30 CGEDLO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000926545917 638783677 /nfs/dbraw/zinc/78/36/77/638783677.db2.gz YFPZXGQEOULNQV-XJKSGUPXSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cccc(C#N)c1O ZINC000926642028 638793548 /nfs/dbraw/zinc/79/35/48/638793548.db2.gz JVFAPXDILGKTBN-LEWSCRJBSA-N 1 2 276.405 3.199 20 30 CGEDLO CC[N@H+](CCC#N)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929775410 638949561 /nfs/dbraw/zinc/94/95/61/638949561.db2.gz YVQXOYPCTZQKEW-ZIAGYGMSSA-N 1 2 264.319 3.271 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929775410 638949563 /nfs/dbraw/zinc/94/95/63/638949563.db2.gz YVQXOYPCTZQKEW-ZIAGYGMSSA-N 1 2 264.319 3.271 20 30 CGEDLO C#CC[C@H](CCOC)Nc1[nH+]c2ccccc2cc1C ZINC000858856007 639030714 /nfs/dbraw/zinc/03/07/14/639030714.db2.gz AVBCGLZINHFAOD-OAHLLOKOSA-N 1 2 268.360 3.384 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC000930866897 639079338 /nfs/dbraw/zinc/07/93/38/639079338.db2.gz NBYUGLKFPPUSHZ-MRXNPFEDSA-N 1 2 282.387 3.366 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC000930866897 639079339 /nfs/dbraw/zinc/07/93/39/639079339.db2.gz NBYUGLKFPPUSHZ-MRXNPFEDSA-N 1 2 282.387 3.366 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931081383 639109821 /nfs/dbraw/zinc/10/98/21/639109821.db2.gz ZRTQKWOYRQKRNS-MRXNPFEDSA-N 1 2 294.345 3.031 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000931081383 639109825 /nfs/dbraw/zinc/10/98/25/639109825.db2.gz ZRTQKWOYRQKRNS-MRXNPFEDSA-N 1 2 294.345 3.031 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)no1 ZINC000859298195 639126101 /nfs/dbraw/zinc/12/61/01/639126101.db2.gz XPNUNDSBORYOBI-GFCCVEGCSA-N 1 2 255.321 3.014 20 30 CGEDLO Clc1cccc(C#CC[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000932352503 639319783 /nfs/dbraw/zinc/31/97/83/639319783.db2.gz ALEOARNDGOHGKV-MRXNPFEDSA-N 1 2 297.789 3.222 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626707 639471069 /nfs/dbraw/zinc/47/10/69/639471069.db2.gz FIKSAGKCQCHCPS-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626707 639471075 /nfs/dbraw/zinc/47/10/75/639471075.db2.gz FIKSAGKCQCHCPS-KDOFPFPSSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775712 639488749 /nfs/dbraw/zinc/48/87/49/639488749.db2.gz MAOAPCWIARTCPG-LBPRGKRZSA-N 1 2 299.399 3.079 20 30 CGEDLO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775712 639488754 /nfs/dbraw/zinc/48/87/54/639488754.db2.gz MAOAPCWIARTCPG-LBPRGKRZSA-N 1 2 299.399 3.079 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000934469675 639615114 /nfs/dbraw/zinc/61/51/14/639615114.db2.gz YDZIVBYCWZTWOY-HNNXBMFYSA-N 1 2 283.375 3.005 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000934469675 639615127 /nfs/dbraw/zinc/61/51/27/639615127.db2.gz YDZIVBYCWZTWOY-HNNXBMFYSA-N 1 2 283.375 3.005 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccc(F)cc1Br ZINC000157472594 639991206 /nfs/dbraw/zinc/99/12/06/639991206.db2.gz RAGPPOCLSSQFBJ-UHFFFAOYSA-N 1 2 278.552 3.430 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014547409 640973732 /nfs/dbraw/zinc/97/37/32/640973732.db2.gz YRKNUHCQTWJGKW-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014547409 640973733 /nfs/dbraw/zinc/97/37/33/640973733.db2.gz YRKNUHCQTWJGKW-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO CCCCCCCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250427110 805608053 /nfs/dbraw/zinc/60/80/53/805608053.db2.gz SEPAFEUIZMAKBE-UHFFFAOYSA-N 1 2 287.363 3.407 20 30 CGEDLO N#Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001250587554 805710169 /nfs/dbraw/zinc/71/01/69/805710169.db2.gz VMBGTAUQTGYDER-UHFFFAOYSA-N 1 2 259.312 3.470 20 30 CGEDLO N#Cc1ccc(-c2c[nH+]cn2Cc2ccccc2)cc1 ZINC001250588570 805710908 /nfs/dbraw/zinc/71/09/08/805710908.db2.gz JHMGQXSLJZYYIS-UHFFFAOYSA-N 1 2 259.312 3.470 20 30 CGEDLO C=CCCCCc1[nH]c2ccc(OCOC)cc2[nH+]1 ZINC001250615206 805727349 /nfs/dbraw/zinc/72/73/49/805727349.db2.gz NGCJVMBSWLNTJD-UHFFFAOYSA-N 1 2 260.337 3.444 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3ccccc3CC#N)[nH+]c2c1 ZINC001251427195 805894090 /nfs/dbraw/zinc/89/40/90/805894090.db2.gz UDTQHPFWKRQIPP-UHFFFAOYSA-N 1 2 276.343 3.362 20 30 CGEDLO Cc1c[nH+]c(N[C@@](C)(C#N)c2ccccc2Cl)cc1N ZINC001158482554 805958859 /nfs/dbraw/zinc/95/88/59/805958859.db2.gz NDDWETCOTOUQOP-HNNXBMFYSA-N 1 2 286.766 3.477 20 30 CGEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1cnccn1 ZINC001158594230 805970311 /nfs/dbraw/zinc/97/03/11/805970311.db2.gz PGULTLNNEJBHPZ-NSHDSACASA-N 1 2 275.315 3.070 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001252602085 806080349 /nfs/dbraw/zinc/08/03/49/806080349.db2.gz LHXHTCLYNSLAHI-HOTGVXAUSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001252602085 806080357 /nfs/dbraw/zinc/08/03/57/806080357.db2.gz LHXHTCLYNSLAHI-HOTGVXAUSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001252602797 806082626 /nfs/dbraw/zinc/08/26/26/806082626.db2.gz WXJLWTGKSVSTGM-XJKSGUPXSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC001252602797 806082632 /nfs/dbraw/zinc/08/26/32/806082632.db2.gz WXJLWTGKSVSTGM-XJKSGUPXSA-N 1 2 295.810 3.040 20 30 CGEDLO FC(F)(F)C(F)(F)C[NH2+]C1CCC(F)(F)CC1 ZINC001254208309 806364637 /nfs/dbraw/zinc/36/46/37/806364637.db2.gz YWIVIOYNUKSLBB-UHFFFAOYSA-N 1 2 267.188 3.352 20 30 CGEDLO N#C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC001161717371 806430515 /nfs/dbraw/zinc/43/05/15/806430515.db2.gz IGBABIWANQBTEV-INIZCTEOSA-N 1 2 289.342 3.003 20 30 CGEDLO CCCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001162202032 806525776 /nfs/dbraw/zinc/52/57/76/806525776.db2.gz BTBLIKKSZJWCGI-KDMTZKAISA-N 1 2 295.452 3.483 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001255154880 806555785 /nfs/dbraw/zinc/55/57/85/806555785.db2.gz LXBGMTPEGLBSKJ-OLZOCXBDSA-N 1 2 286.297 3.021 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001255164581 806562773 /nfs/dbraw/zinc/56/27/73/806562773.db2.gz OLAQKMPDHBOMHY-ZANVPECISA-N 1 2 250.292 3.234 20 30 CGEDLO CC[C@H](CC#N)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001255164750 806563320 /nfs/dbraw/zinc/56/33/20/806563320.db2.gz QANZYXGEXCYHSO-LLVKDONJSA-N 1 2 251.761 3.252 20 30 CGEDLO C#CC1(Nc2[nH+]ccc(C)c2NC(C)=O)CCCCC1 ZINC001162479381 806595140 /nfs/dbraw/zinc/59/51/40/806595140.db2.gz BHYYTTVBKWPUFM-UHFFFAOYSA-N 1 2 271.364 3.096 20 30 CGEDLO C=C(Br)C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000161436309 799079297 /nfs/dbraw/zinc/07/92/97/799079297.db2.gz MMIVPVDJHDHVEP-UHFFFAOYSA-N 1 2 294.196 3.054 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000163612307 799083841 /nfs/dbraw/zinc/08/38/41/799083841.db2.gz DWIGWMHAGDNCIS-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000163612307 799083849 /nfs/dbraw/zinc/08/38/49/799083849.db2.gz DWIGWMHAGDNCIS-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO C[C@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ccno1 ZINC001163209342 806722687 /nfs/dbraw/zinc/72/26/87/806722687.db2.gz YQPABZGOXMIELE-JTQLQIEISA-N 1 2 264.288 3.268 20 30 CGEDLO Cc1ccc(CC/[NH+]=C\c2ccc(O)c(O)c2O)c(C)c1 ZINC000299735719 799201894 /nfs/dbraw/zinc/20/18/94/799201894.db2.gz XUXMTENSSZMFAS-ZDLGFXPLSA-N 1 2 285.343 3.082 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1cccc(C)c1 ZINC000379651937 799350876 /nfs/dbraw/zinc/35/08/76/799350876.db2.gz GAWAIIMIISRRFK-UHFFFAOYSA-N 1 2 254.171 3.335 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1cccc(C)c1 ZINC000379651937 799350885 /nfs/dbraw/zinc/35/08/85/799350885.db2.gz GAWAIIMIISRRFK-UHFFFAOYSA-N 1 2 254.171 3.335 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3ccccc3C#N)c[nH+]c12 ZINC000588618057 799721494 /nfs/dbraw/zinc/72/14/94/799721494.db2.gz CZUWKOKUWNRJHV-HJWRWDBZSA-N 1 2 287.322 3.411 20 30 CGEDLO N#Cc1cccc(C[N@H+](Cc2ccoc2)C2CC2)c1F ZINC000723745633 800338369 /nfs/dbraw/zinc/33/83/69/800338369.db2.gz VIUDBFLDIBCBNT-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1cccc(C[N@@H+](Cc2ccoc2)C2CC2)c1F ZINC000723745633 800338374 /nfs/dbraw/zinc/33/83/74/800338374.db2.gz VIUDBFLDIBCBNT-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccnc(F)c1 ZINC000792640783 800391824 /nfs/dbraw/zinc/39/18/24/800391824.db2.gz FXLVJBLBEYGVOF-UHFFFAOYSA-N 1 2 284.338 3.024 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934509853 800678502 /nfs/dbraw/zinc/67/85/02/800678502.db2.gz QLIGMXQWSNFCNE-HNNXBMFYSA-N 1 2 281.359 3.033 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934509853 800678508 /nfs/dbraw/zinc/67/85/08/800678508.db2.gz QLIGMXQWSNFCNE-HNNXBMFYSA-N 1 2 281.359 3.033 20 30 CGEDLO COc1ccc(O[C@H](C)CNc2[nH+]cccc2CC#N)cc1 ZINC001164038381 806879723 /nfs/dbraw/zinc/87/97/23/806879723.db2.gz UHOQWHLGMUXAPG-CYBMUJFWSA-N 1 2 297.358 3.036 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071313268 801526390 /nfs/dbraw/zinc/52/63/90/801526390.db2.gz XCTCXUNNKVZBPE-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071313268 801526395 /nfs/dbraw/zinc/52/63/95/801526395.db2.gz XCTCXUNNKVZBPE-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071317697 801528743 /nfs/dbraw/zinc/52/87/43/801528743.db2.gz XINOXUNBCNKPMO-UKRRQHHQSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071317697 801528750 /nfs/dbraw/zinc/52/87/50/801528750.db2.gz XINOXUNBCNKPMO-UKRRQHHQSA-N 1 2 292.810 3.022 20 30 CGEDLO COc1cc(CNc2[nH+]cccc2OC(C)C)ccc1C#N ZINC001256566448 806917670 /nfs/dbraw/zinc/91/76/70/806917670.db2.gz DSNBUYXNMDKHAQ-UHFFFAOYSA-N 1 2 297.358 3.361 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C/Cl)CC1 ZINC001085802140 801705476 /nfs/dbraw/zinc/70/54/76/801705476.db2.gz MBPRGTMDHYVLIC-RUGXIKGKSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C/C=C/Cl)CC1 ZINC001085802140 801705484 /nfs/dbraw/zinc/70/54/84/801705484.db2.gz MBPRGTMDHYVLIC-RUGXIKGKSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001110506371 802145010 /nfs/dbraw/zinc/14/50/10/802145010.db2.gz PAIOBFYXSLMWFP-MYPMTAMASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001110506371 802145013 /nfs/dbraw/zinc/14/50/13/802145013.db2.gz PAIOBFYXSLMWFP-MYPMTAMASA-N 1 2 298.858 3.287 20 30 CGEDLO CN(C)c1cc(CSCc2ccccc2C#N)cc[nH+]1 ZINC001116610580 802385364 /nfs/dbraw/zinc/38/53/64/802385364.db2.gz ATJNJSRXMZCYEA-UHFFFAOYSA-N 1 2 283.400 3.453 20 30 CGEDLO C=CCO[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC001118123215 802527093 /nfs/dbraw/zinc/52/70/93/802527093.db2.gz HAMJKPFDVVEBBN-AWEZNQCLSA-N 1 2 272.323 3.155 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccnc3ccccc32)cc1Cl ZINC001118517304 802579219 /nfs/dbraw/zinc/57/92/19/802579219.db2.gz UWPPDDJZGGOOPG-UHFFFAOYSA-N 1 2 296.761 3.338 20 30 CGEDLO C=CCCCN(CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001119828032 802702039 /nfs/dbraw/zinc/70/20/39/802702039.db2.gz KDTAIYVAOBTXIG-UHFFFAOYSA-N 1 2 272.352 3.154 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125339992 803058323 /nfs/dbraw/zinc/05/83/23/803058323.db2.gz UQKYAKWNNIFHQH-HNNXBMFYSA-N 1 2 297.402 3.150 20 30 CGEDLO SCc1cccc(-c2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001243902590 803067660 /nfs/dbraw/zinc/06/76/60/803067660.db2.gz IMKGMKPQAWJWSA-UHFFFAOYSA-N 1 2 286.400 3.015 20 30 CGEDLO C=CCOCc1cccc(-c2cc[nH+]c(NC)c2)c1 ZINC001244975730 803600413 /nfs/dbraw/zinc/60/04/13/803600413.db2.gz BAWXEDCSVIVRQW-UHFFFAOYSA-N 1 2 254.333 3.493 20 30 CGEDLO Cc1ccc2nc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC001137218887 803699013 /nfs/dbraw/zinc/69/90/13/803699013.db2.gz PWLOXGNFWSHOAF-QGZVFWFLSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2nc(C[N@H+]3CC[C@](C)(C#N)C3)ccc2c1 ZINC001137218887 803699017 /nfs/dbraw/zinc/69/90/17/803699017.db2.gz PWLOXGNFWSHOAF-QGZVFWFLSA-N 1 2 265.360 3.279 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1 ZINC001137697902 803758780 /nfs/dbraw/zinc/75/87/80/803758780.db2.gz ADXBLSZZUZNFMH-LLVKDONJSA-N 1 2 280.318 3.044 20 30 CGEDLO COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1 ZINC001137697902 803758784 /nfs/dbraw/zinc/75/87/84/803758784.db2.gz ADXBLSZZUZNFMH-LLVKDONJSA-N 1 2 280.318 3.044 20 30 CGEDLO Cc1cc(-c2ccnc3cc(C#N)ccc32)c[nH+]c1N ZINC001245535884 803793390 /nfs/dbraw/zinc/79/33/90/803793390.db2.gz DBCDTLKVTJQNHO-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO C#CCOc1ccc(C[N@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001138557328 803967124 /nfs/dbraw/zinc/96/71/24/803967124.db2.gz HNJKKSPOLPALSH-UHFFFAOYSA-N 1 2 281.330 3.354 20 30 CGEDLO C#CCOc1ccc(C[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001138557328 803967130 /nfs/dbraw/zinc/96/71/30/803967130.db2.gz HNJKKSPOLPALSH-UHFFFAOYSA-N 1 2 281.330 3.354 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001138666131 803999256 /nfs/dbraw/zinc/99/92/56/803999256.db2.gz JNEVTSKQFMEGTK-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCOC2(CC2)C1 ZINC001138666131 803999261 /nfs/dbraw/zinc/99/92/61/803999261.db2.gz JNEVTSKQFMEGTK-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccnc(Br)c1 ZINC001138735043 804025997 /nfs/dbraw/zinc/02/59/97/804025997.db2.gz WLAUJMLUQOZZLA-UHFFFAOYSA-N 1 2 296.212 3.360 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(Br)c1 ZINC001138735043 804026005 /nfs/dbraw/zinc/02/60/05/804026005.db2.gz WLAUJMLUQOZZLA-UHFFFAOYSA-N 1 2 296.212 3.360 20 30 CGEDLO C[N@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)c(F)c1 ZINC001139526820 804200226 /nfs/dbraw/zinc/20/02/26/804200226.db2.gz JZLWWMSEZMUQBD-UHFFFAOYSA-N 1 2 295.770 3.439 20 30 CGEDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)c(F)c1 ZINC001139526820 804200233 /nfs/dbraw/zinc/20/02/33/804200233.db2.gz JZLWWMSEZMUQBD-UHFFFAOYSA-N 1 2 295.770 3.439 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2C#N)CCCO1 ZINC001139691576 804255801 /nfs/dbraw/zinc/25/58/01/804255801.db2.gz ZONBCAYEVNFVOR-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2C#N)CCCO1 ZINC001139691576 804255807 /nfs/dbraw/zinc/25/58/07/804255807.db2.gz ZONBCAYEVNFVOR-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC001140052924 804364171 /nfs/dbraw/zinc/36/41/71/804364171.db2.gz HONJPUXBUYDCQA-UHFFFAOYSA-N 1 2 284.334 3.447 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC001140052924 804364177 /nfs/dbraw/zinc/36/41/77/804364177.db2.gz HONJPUXBUYDCQA-UHFFFAOYSA-N 1 2 284.334 3.447 20 30 CGEDLO COc1ccc2n[nH]c(C[N@H+](CCC#N)C3CCCC3)c2c1 ZINC001140067413 804369296 /nfs/dbraw/zinc/36/92/96/804369296.db2.gz NXMBGFDMMJYKPL-UHFFFAOYSA-N 1 2 298.390 3.230 20 30 CGEDLO COc1ccc2n[nH]c(C[N@@H+](CCC#N)C3CCCC3)c2c1 ZINC001140067413 804369304 /nfs/dbraw/zinc/36/93/04/804369304.db2.gz NXMBGFDMMJYKPL-UHFFFAOYSA-N 1 2 298.390 3.230 20 30 CGEDLO C[N@H+](Cc1ccncc1)Cc1cc(C#N)ccc1Cl ZINC001140600821 804472574 /nfs/dbraw/zinc/47/25/74/804472574.db2.gz WMBZDQCQLDQKNC-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccc1Cl ZINC001140600821 804472575 /nfs/dbraw/zinc/47/25/75/804472575.db2.gz WMBZDQCQLDQKNC-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO CCCCCCCCC[C@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246833756 804542817 /nfs/dbraw/zinc/54/28/17/804542817.db2.gz GKXSCHVPZLHXLX-JKSUJKDBSA-N 1 2 265.445 3.313 20 30 CGEDLO CCCCCCCCC[C@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246833756 804542822 /nfs/dbraw/zinc/54/28/22/804542822.db2.gz GKXSCHVPZLHXLX-JKSUJKDBSA-N 1 2 265.445 3.313 20 30 CGEDLO N#CCCN(Cc1ccccc1)Cc1ccn2cc[nH+]c2c1 ZINC001141042313 804576678 /nfs/dbraw/zinc/57/66/78/804576678.db2.gz LTZCMQBVQHGPQS-UHFFFAOYSA-N 1 2 290.370 3.250 20 30 CGEDLO C=CC[NH+]1CCN(C(=S)NCCCCCCCC)CC1 ZINC001247154715 804670643 /nfs/dbraw/zinc/67/06/43/804670643.db2.gz SHXZRNZBTAIYCH-UHFFFAOYSA-N 1 2 297.512 3.025 20 30 CGEDLO N#Cc1ccc(Br)cc1C[NH+]1C2CCC1CC2 ZINC001141902846 804677872 /nfs/dbraw/zinc/67/78/72/804677872.db2.gz GPPBCFLHOSUOSQ-UHFFFAOYSA-N 1 2 291.192 3.448 20 30 CGEDLO CSCC[N@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731720 804889033 /nfs/dbraw/zinc/88/90/33/804889033.db2.gz CLVZTJNGLQWIGS-UHFFFAOYSA-N 1 2 254.786 3.006 20 30 CGEDLO CSCC[N@@H+](C)Cc1c(Cl)cccc1C#N ZINC001143731720 804889039 /nfs/dbraw/zinc/88/90/39/804889039.db2.gz CLVZTJNGLQWIGS-UHFFFAOYSA-N 1 2 254.786 3.006 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(OC)c1F ZINC001143980286 804918936 /nfs/dbraw/zinc/91/89/36/804918936.db2.gz INZCVDMJWLJCLO-UHFFFAOYSA-N 1 2 255.308 3.371 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(F)ccc(OC)c1F ZINC001143980286 804918938 /nfs/dbraw/zinc/91/89/38/804918938.db2.gz INZCVDMJWLJCLO-UHFFFAOYSA-N 1 2 255.308 3.371 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(O)cc1F ZINC001144660302 805027419 /nfs/dbraw/zinc/02/74/19/805027419.db2.gz ZKTFXKPUYJGZNZ-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(O)cc1F ZINC001144660302 805027428 /nfs/dbraw/zinc/02/74/28/805027428.db2.gz ZKTFXKPUYJGZNZ-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C=CCN(C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C1CC1 ZINC001152395535 805347566 /nfs/dbraw/zinc/34/75/66/805347566.db2.gz MULQZHKQFTWION-GASCZTMLSA-N 1 2 299.418 3.229 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(OCC)c(Cl)c2)cc[nH+]1 ZINC001250219386 805499157 /nfs/dbraw/zinc/49/91/57/805499157.db2.gz GBWBHLUTQKJYMV-UHFFFAOYSA-N 1 2 290.725 3.420 20 30 CGEDLO N#Cc1ccccc1CNc1ccc(-n2cccc2)c[nH+]1 ZINC001167636173 807222411 /nfs/dbraw/zinc/22/24/11/807222411.db2.gz WWLCLMPDBAYBIC-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO N#CCCCC[NH2+]c1ccc2c(c1)C1(CN2)CCOCC1 ZINC001168430460 807412731 /nfs/dbraw/zinc/41/27/31/807412731.db2.gz DUBNWOGUHUMCFZ-UHFFFAOYSA-N 1 2 285.391 3.266 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OCC=C ZINC001258718719 807567966 /nfs/dbraw/zinc/56/79/66/807567966.db2.gz UUJVTLARVRCZMU-WBVHZDCISA-N 1 2 287.403 3.271 20 30 CGEDLO COc1ccc(Nc2cccc3[nH+]c(C)cn32)c(C#N)c1 ZINC001212779168 815133927 /nfs/dbraw/zinc/13/39/27/815133927.db2.gz XQFKIWUZTDARJY-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170104217 807759771 /nfs/dbraw/zinc/75/97/71/807759771.db2.gz KCRZETCSKQUTJT-UAGQMJEPSA-N 1 2 287.403 3.105 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC001170180050 807787138 /nfs/dbraw/zinc/78/71/38/807787138.db2.gz ZJBXGKOFUHBRJE-JKSUJKDBSA-N 1 2 299.455 3.437 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@H](C(=O)NC(C)C)C(C)C ZINC001170189758 807789320 /nfs/dbraw/zinc/78/93/20/807789320.db2.gz FXRQYTVWGPBAMS-HNNXBMFYSA-N 1 2 289.423 3.080 20 30 CGEDLO CCCCCC[C@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001170590669 807862065 /nfs/dbraw/zinc/86/20/65/807862065.db2.gz NNZOTXFMGWGVMM-AWEZNQCLSA-N 1 2 252.402 3.398 20 30 CGEDLO N#C[C@H]1CC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049649 807972553 /nfs/dbraw/zinc/97/25/53/807972553.db2.gz KVOFDWYHBKVXFG-DGCLKSJQSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171049649 807972558 /nfs/dbraw/zinc/97/25/58/807972558.db2.gz KVOFDWYHBKVXFG-DGCLKSJQSA-N 1 2 260.768 3.043 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]cc1F ZINC001171373227 808038428 /nfs/dbraw/zinc/03/84/28/808038428.db2.gz QNJURPOXSLOXAR-GFCCVEGCSA-N 1 2 272.323 3.381 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([NH2+][C@@](C)(C#N)C(C)C)C2 ZINC001171551084 808092431 /nfs/dbraw/zinc/09/24/31/808092431.db2.gz AJIRNGBOKWGPGB-WBVHZDCISA-N 1 2 256.393 3.380 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1ccc(C)cc1)C(=O)OC ZINC001171660879 808115797 /nfs/dbraw/zinc/11/57/97/808115797.db2.gz RMQPUCZXAJYGBA-GDBMZVCRSA-N 1 2 275.392 3.023 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001266437683 808264581 /nfs/dbraw/zinc/26/45/81/808264581.db2.gz IYCPSIGQKLXPHD-INIZCTEOSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001266437683 808264589 /nfs/dbraw/zinc/26/45/89/808264589.db2.gz IYCPSIGQKLXPHD-INIZCTEOSA-N 1 2 298.858 3.314 20 30 CGEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@H](CO)C(=O)OCC ZINC001172502859 808358440 /nfs/dbraw/zinc/35/84/40/808358440.db2.gz TYVZATIONFYSGE-CABCVRRESA-N 1 2 287.444 3.029 20 30 CGEDLO CCCCCCCC[C@H](CC)N1CC[NH2+]C[C@H]1C#N ZINC001172505909 808363319 /nfs/dbraw/zinc/36/33/19/808363319.db2.gz XAZJXRJRGFMMSO-JKSUJKDBSA-N 1 2 265.445 3.313 20 30 CGEDLO CCCCCCC[C@H](CCC)[NH2+][C@]1(C(=O)OC)CCOC1 ZINC001172508103 808365051 /nfs/dbraw/zinc/36/50/51/808365051.db2.gz GFYXDBQYZPWDPJ-DOTOQJQBSA-N 1 2 299.455 3.437 20 30 CGEDLO N#Cc1nc(Cl)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213027212 815202596 /nfs/dbraw/zinc/20/25/96/815202596.db2.gz OTNWWYKHUCQYNR-UHFFFAOYSA-N 1 2 269.695 3.227 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213032349 815205780 /nfs/dbraw/zinc/20/57/80/815205780.db2.gz ATRUOPITWNBRKJ-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001172857543 808464402 /nfs/dbraw/zinc/46/44/02/808464402.db2.gz WOMZHJWKJOFXCO-QMTHXVAHSA-N 1 2 299.773 3.117 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001267785453 808491877 /nfs/dbraw/zinc/49/18/77/808491877.db2.gz PHQCIZLCACLXFE-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001267785453 808491884 /nfs/dbraw/zinc/49/18/84/808491884.db2.gz PHQCIZLCACLXFE-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO CC1(C#N)CCC([N@@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001173592165 808648638 /nfs/dbraw/zinc/64/86/38/808648638.db2.gz IQYJSZPKKBNPAD-PNESKVBLSA-N 1 2 274.330 3.386 20 30 CGEDLO CC1(C#N)CCC([N@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001173592165 808648642 /nfs/dbraw/zinc/64/86/42/808648642.db2.gz IQYJSZPKKBNPAD-PNESKVBLSA-N 1 2 274.330 3.386 20 30 CGEDLO CCOC(=O)[C@H]1CC12CCC([NH2+][C@H](C#N)CC(C)C)CC2 ZINC001173603442 808652298 /nfs/dbraw/zinc/65/22/98/808652298.db2.gz FGOMYEXLKLCFLI-KRIMKBQASA-N 1 2 292.423 3.026 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@](C)(F)CCCC ZINC001275864920 808972769 /nfs/dbraw/zinc/97/27/69/808972769.db2.gz CWQVKWKWCDYJFZ-GXTWGEPZSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@](C)(F)CCCC ZINC001275864920 808972773 /nfs/dbraw/zinc/97/27/73/808972773.db2.gz CWQVKWKWCDYJFZ-GXTWGEPZSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001276422243 809006810 /nfs/dbraw/zinc/00/68/10/809006810.db2.gz QDJNVPORWRMWPY-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO Cc1ccnc(C#N)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174521753 809059938 /nfs/dbraw/zinc/05/99/38/809059938.db2.gz DMDGDHNOBMNAMY-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO C[NH+](C)c1ccc(-n2cc(C#N)c3cc(N)ccc32)cc1 ZINC001174879547 809187603 /nfs/dbraw/zinc/18/76/03/809187603.db2.gz YGOYWSOICAJDOQ-UHFFFAOYSA-N 1 2 276.343 3.150 20 30 CGEDLO CN(C)c1ccc(Nc2sc3c(c2C#N)CCC3)c[nH+]1 ZINC001175338825 809364726 /nfs/dbraw/zinc/36/47/26/809364726.db2.gz MKMHLBYNMUVRFY-UHFFFAOYSA-N 1 2 284.388 3.313 20 30 CGEDLO CN(C)c1ccc(Nc2c(C#N)ccc(F)c2F)c[nH+]1 ZINC001175344046 809367257 /nfs/dbraw/zinc/36/72/57/809367257.db2.gz OXIDJZDUYHQDKN-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO CN(C)c1ccc(Nc2c(F)ccc(F)c2C#N)c[nH+]1 ZINC001175344755 809369221 /nfs/dbraw/zinc/36/92/21/809369221.db2.gz ZMVXXHQTUXHSCO-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO CN(C)c1ccc(Nc2ccc(C#N)c3ncccc23)c[nH+]1 ZINC001175344455 809369794 /nfs/dbraw/zinc/36/97/94/809369794.db2.gz UDQDJAGQPVMSDF-UHFFFAOYSA-N 1 2 289.342 3.311 20 30 CGEDLO Cc1cc(C)c(Nc2cc(Cl)cnc2C#N)c[nH+]1 ZINC001213510734 815293851 /nfs/dbraw/zinc/29/38/51/815293851.db2.gz IAOTUDFDXUPHLR-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1c[nH+]cc(C)c1C ZINC001213532434 815301518 /nfs/dbraw/zinc/30/15/18/815301518.db2.gz HVXRAESOYUWQHA-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO COc1cc[nH+]cc1Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001176118367 809626701 /nfs/dbraw/zinc/62/67/01/809626701.db2.gz JGCYTYDBFAYOAM-UHFFFAOYSA-N 1 2 294.236 3.119 20 30 CGEDLO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC001176372994 809680986 /nfs/dbraw/zinc/68/09/86/809680986.db2.gz LKNUIXHXYNWRKJ-UHFFFAOYSA-N 1 2 266.728 3.092 20 30 CGEDLO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC001176372994 809680987 /nfs/dbraw/zinc/68/09/87/809680987.db2.gz LKNUIXHXYNWRKJ-UHFFFAOYSA-N 1 2 266.728 3.092 20 30 CGEDLO C#CC[C@@H]([NH2+]C1CCC(C2CCCCC2)CC1)C(=O)OC ZINC001182270906 810100615 /nfs/dbraw/zinc/10/06/15/810100615.db2.gz BBNGKZFRPKSXSJ-OFLPRAFFSA-N 1 2 291.435 3.280 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Br)c[nH]1)C1CCCC1 ZINC001231576423 818125640 /nfs/dbraw/zinc/12/56/40/818125640.db2.gz HMLLDKJANHVVDZ-UHFFFAOYSA-N 1 2 296.212 3.435 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Br)c[nH]1)C1CCCC1 ZINC001231576423 818125644 /nfs/dbraw/zinc/12/56/44/818125644.db2.gz HMLLDKJANHVVDZ-UHFFFAOYSA-N 1 2 296.212 3.435 20 30 CGEDLO CCN(C)c1ccc(Nc2cc(C#N)ccc2OC)c[nH+]1 ZINC001201582166 811913134 /nfs/dbraw/zinc/91/31/34/811913134.db2.gz PKXLMZHTCKRZAV-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO CNc1ccc(Nc2cccc(Cl)c2C#N)c[nH+]1 ZINC001203457805 812364743 /nfs/dbraw/zinc/36/47/43/812364743.db2.gz AMYZEHSILYJOHU-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001203756821 812455271 /nfs/dbraw/zinc/45/52/71/812455271.db2.gz DGGGVYMHCSGLIC-CYBMUJFWSA-N 1 2 268.282 3.127 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001203756821 812455272 /nfs/dbraw/zinc/45/52/72/812455272.db2.gz DGGGVYMHCSGLIC-CYBMUJFWSA-N 1 2 268.282 3.127 20 30 CGEDLO Cc1ccsc1C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001204023186 812523284 /nfs/dbraw/zinc/52/32/84/812523284.db2.gz ALWDVHGOCXHQFJ-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO N#CCc1cc(Nc2ccn3cc[nH+]c3c2)ccc1F ZINC001205006555 812824014 /nfs/dbraw/zinc/82/40/14/812824014.db2.gz ZZDHRVQXBQFZAH-UHFFFAOYSA-N 1 2 266.279 3.283 20 30 CGEDLO C=CCC[C@H]([NH2+]CCc1cc(C)cc(C)c1)C(=O)OCC ZINC001205848340 813107124 /nfs/dbraw/zinc/10/71/24/813107124.db2.gz CSBHKXKVYWMPHZ-KRWDZBQOSA-N 1 2 289.419 3.333 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)C1 ZINC001209760030 814132620 /nfs/dbraw/zinc/13/26/20/814132620.db2.gz RYXMZVMPVNHYGO-LLVKDONJSA-N 1 2 273.767 3.062 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)C1 ZINC001209760030 814132625 /nfs/dbraw/zinc/13/26/25/814132625.db2.gz RYXMZVMPVNHYGO-LLVKDONJSA-N 1 2 273.767 3.062 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001242740168 823117425 /nfs/dbraw/zinc/11/74/25/823117425.db2.gz WVXNHWOCJUQPPY-ZDUSSCGKSA-N 1 2 270.376 3.454 20 30 CGEDLO C#Cc1ccc(NC(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC001210354656 814418727 /nfs/dbraw/zinc/41/87/27/814418727.db2.gz FSBBLWLKVLQRSP-UHFFFAOYSA-N 1 2 279.343 3.001 20 30 CGEDLO C[C@H]1CC(=O)C=C(Nc2ccccc2-n2cc[nH+]c2)C1 ZINC001210770970 814617099 /nfs/dbraw/zinc/61/70/99/814617099.db2.gz RVUFJELGVVNLMK-GFCCVEGCSA-N 1 2 267.332 3.167 20 30 CGEDLO COc1cc(Nc2cc(F)c(C#N)cc2C)cc(C)[nH+]1 ZINC001210780465 814625677 /nfs/dbraw/zinc/62/56/77/814625677.db2.gz KZQFQIAQHSMOPL-UHFFFAOYSA-N 1 2 271.295 3.461 20 30 CGEDLO COc1cc(Nc2c(C)cc(C#N)cc2C#N)cc(C)[nH+]1 ZINC001210781168 814627840 /nfs/dbraw/zinc/62/78/40/814627840.db2.gz NIFNSXNJTNRRFH-UHFFFAOYSA-N 1 2 278.315 3.194 20 30 CGEDLO C#Cc1cc(Nc2ccc(SC)c(F)c2)cc[nH+]1 ZINC001211108337 814748914 /nfs/dbraw/zinc/74/89/14/814748914.db2.gz DOWFTDJXEVWFFR-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO Cc1cn2c(cccc2Nc2cc(C#N)cc([N+](=O)[O-])c2)[nH+]1 ZINC001211327535 814879124 /nfs/dbraw/zinc/87/91/24/814879124.db2.gz TWPVQPHJNPNVSX-UHFFFAOYSA-N 1 2 293.286 3.166 20 30 CGEDLO CC(C)c1c(C#N)cccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218012421 816051828 /nfs/dbraw/zinc/05/18/28/816051828.db2.gz JRBDLDQOVWOLES-CYBMUJFWSA-N 1 2 280.318 3.058 20 30 CGEDLO COC(=O)[C@@H]([NH3+])c1ccc(-c2c(C)cc(C#N)cc2C)cc1 ZINC001222667354 816495407 /nfs/dbraw/zinc/49/54/07/816495407.db2.gz XREXMWCAHYADGJ-KRWDZBQOSA-N 1 2 294.354 3.015 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(Br)c(Cl)c1 ZINC001231437499 818098914 /nfs/dbraw/zinc/09/89/14/818098914.db2.gz YMKVPDYUPYNSOL-UHFFFAOYSA-N 1 2 296.595 3.171 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231825405 818184504 /nfs/dbraw/zinc/18/45/04/818184504.db2.gz YKXNJBQFUVHDDM-UHFFFAOYSA-N 1 2 290.260 3.269 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001231825405 818184509 /nfs/dbraw/zinc/18/45/09/818184509.db2.gz YKXNJBQFUVHDDM-UHFFFAOYSA-N 1 2 290.260 3.269 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)cc(C)c1Br ZINC001232518860 818377245 /nfs/dbraw/zinc/37/72/45/818377245.db2.gz LALGYVDELBBPKN-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)cc(C)c1Br ZINC001232518860 818377253 /nfs/dbraw/zinc/37/72/53/818377253.db2.gz LALGYVDELBBPKN-UHFFFAOYSA-N 1 2 281.197 3.411 20 30 CGEDLO N#CCC[N@H+](Cc1cc2ccoc2cn1)C1CCCC1 ZINC001232552694 818384234 /nfs/dbraw/zinc/38/42/34/818384234.db2.gz ZFUAVXGXUURDAJ-UHFFFAOYSA-N 1 2 269.348 3.486 20 30 CGEDLO N#CCC[N@@H+](Cc1cc2ccoc2cn1)C1CCCC1 ZINC001232552694 818384243 /nfs/dbraw/zinc/38/42/43/818384243.db2.gz ZFUAVXGXUURDAJ-UHFFFAOYSA-N 1 2 269.348 3.486 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001232677525 818416443 /nfs/dbraw/zinc/41/64/43/818416443.db2.gz FKWVLGUWROXJBN-GASCZTMLSA-N 1 2 290.366 3.351 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001232677525 818416450 /nfs/dbraw/zinc/41/64/50/818416450.db2.gz FKWVLGUWROXJBN-GASCZTMLSA-N 1 2 290.366 3.351 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001232678665 818417527 /nfs/dbraw/zinc/41/75/27/818417527.db2.gz MLPHQZPHERTZGS-HNNXBMFYSA-N 1 2 296.345 3.392 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001232678665 818417530 /nfs/dbraw/zinc/41/75/30/818417530.db2.gz MLPHQZPHERTZGS-HNNXBMFYSA-N 1 2 296.345 3.392 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(OC)c(C)cc1OC ZINC001232833123 818451824 /nfs/dbraw/zinc/45/18/24/818451824.db2.gz SPYMXSPCWKCYKC-UHFFFAOYSA-N 1 2 276.380 3.138 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(OC)c(C)cc1OC ZINC001232833123 818451829 /nfs/dbraw/zinc/45/18/29/818451829.db2.gz SPYMXSPCWKCYKC-UHFFFAOYSA-N 1 2 276.380 3.138 20 30 CGEDLO N#Cc1cc(C[NH+]2CCC(F)CC2)ccc1Br ZINC001232894074 818467067 /nfs/dbraw/zinc/46/70/67/818467067.db2.gz UHUBFHOKNXPFGJ-UHFFFAOYSA-N 1 2 297.171 3.255 20 30 CGEDLO Cc1cc(C#N)ccc1C[NH+]1CC(Oc2ccccc2)C1 ZINC001233082866 818520976 /nfs/dbraw/zinc/52/09/76/818520976.db2.gz LWEUWFCNCRYTOQ-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2F)C1 ZINC001233212245 818542351 /nfs/dbraw/zinc/54/23/51/818542351.db2.gz OGFBYQPVMFZRAT-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2F)C1 ZINC001233212245 818542358 /nfs/dbraw/zinc/54/23/58/818542358.db2.gz OGFBYQPVMFZRAT-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233392224 818608898 /nfs/dbraw/zinc/60/88/98/818608898.db2.gz PYKJUEIKJNXUTM-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445146 818621326 /nfs/dbraw/zinc/62/13/26/818621326.db2.gz SUTMEJADNRDYHP-LBPRGKRZSA-N 1 2 271.751 3.234 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233445146 818621329 /nfs/dbraw/zinc/62/13/29/818621329.db2.gz SUTMEJADNRDYHP-LBPRGKRZSA-N 1 2 271.751 3.234 20 30 CGEDLO C#C[C@H](CC(C)C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234587646 818887955 /nfs/dbraw/zinc/88/79/55/818887955.db2.gz CKRBXLFDSBLEOB-CQSZACIVSA-N 1 2 259.349 3.475 20 30 CGEDLO COc1ccc(C#N)cc1-c1cn2cc[nH+]c2cc1C ZINC001236543118 819529884 /nfs/dbraw/zinc/52/98/84/819529884.db2.gz OXDBMVDJGOXGSP-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)cc1F ZINC001236835214 819614492 /nfs/dbraw/zinc/61/44/92/819614492.db2.gz PMPSFICBUPBVJA-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)cc1F ZINC001236835214 819614494 /nfs/dbraw/zinc/61/44/94/819614494.db2.gz PMPSFICBUPBVJA-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1ncccc1C[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237537778 819773718 /nfs/dbraw/zinc/77/37/18/819773718.db2.gz QPWOKMDSFHIUBK-UHFFFAOYSA-N 1 2 287.313 3.172 20 30 CGEDLO Cc1ncccc1C[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237537778 819773719 /nfs/dbraw/zinc/77/37/19/819773719.db2.gz QPWOKMDSFHIUBK-UHFFFAOYSA-N 1 2 287.313 3.172 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)ccc1OC(C)C ZINC001237729054 819822491 /nfs/dbraw/zinc/82/24/91/819822491.db2.gz XACMTVGKKOJGAX-OAHLLOKOSA-N 1 2 258.365 3.128 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)ccc1OC(C)C ZINC001237729054 819822499 /nfs/dbraw/zinc/82/24/99/819822499.db2.gz XACMTVGKKOJGAX-OAHLLOKOSA-N 1 2 258.365 3.128 20 30 CGEDLO N#CCC1CC[NH+](Cc2cc(F)c(O)c(Cl)c2)CC1 ZINC001237990393 819904926 /nfs/dbraw/zinc/90/49/26/819904926.db2.gz RSTMKHMHGBYXIW-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(OC(C)C)c(C)c1 ZINC001238389296 819984824 /nfs/dbraw/zinc/98/48/24/819984824.db2.gz FIWVKWJFECRXGC-UHFFFAOYSA-N 1 2 275.396 3.303 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(OC(C)C)c(C)c1 ZINC001238389296 819984829 /nfs/dbraw/zinc/98/48/29/819984829.db2.gz FIWVKWJFECRXGC-UHFFFAOYSA-N 1 2 275.396 3.303 20 30 CGEDLO C=CCN1CC[NH+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238501556 820028393 /nfs/dbraw/zinc/02/83/93/820028393.db2.gz OESIZSQLPVJFSX-UHFFFAOYSA-N 1 2 274.383 3.007 20 30 CGEDLO N#Cc1ncc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001238991557 820185203 /nfs/dbraw/zinc/18/52/03/820185203.db2.gz UTPHGMSYMVLEQF-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO CCCCCCCNC(=O)N1CC[NH2+]C2=CCCC[C@H]21 ZINC001239309148 820259091 /nfs/dbraw/zinc/25/90/91/820259091.db2.gz LXWCUBLIACUKJF-OAHLLOKOSA-N 1 2 279.428 3.008 20 30 CGEDLO Cc1nccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001243660046 823477765 /nfs/dbraw/zinc/47/77/65/823477765.db2.gz MKPFDLRNUFCLDR-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#CCc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC001243663548 823479536 /nfs/dbraw/zinc/47/95/36/823479536.db2.gz WXZGKDBNQAQGEJ-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO N#Cc1ccc(C(F)(F)F)nc1-c1ccc2[nH+]ccn2c1 ZINC001240213834 820881692 /nfs/dbraw/zinc/88/16/92/820881692.db2.gz GXYPCLJMSNDCBC-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#Cc1c2ccccc2cnc1-c1ccc2[nH+]ccn2c1 ZINC001240215557 820885919 /nfs/dbraw/zinc/88/59/19/820885919.db2.gz YVKKJVJWQVMCEI-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1nc(C(C)(C)C)ccc1C#N ZINC001242077251 822336420 /nfs/dbraw/zinc/33/64/20/822336420.db2.gz BIFBDYOOEOMNBN-UHFFFAOYSA-N 1 2 266.348 3.203 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1CO ZINC001242385839 822977937 /nfs/dbraw/zinc/97/79/37/822977937.db2.gz NDLYWDNOQJBOSO-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO CC(C)n1nccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001242557007 823030991 /nfs/dbraw/zinc/03/09/91/823030991.db2.gz KLNBIEBBKPXVHZ-WOJGMQOQSA-N 1 2 281.363 3.224 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001342675176 936474581 /nfs/dbraw/zinc/47/45/81/936474581.db2.gz PTKIIPUBCQMCRM-UHFFFAOYSA-N 1 2 292.386 3.360 20 30 CGEDLO C=CC[C@@H]1[N@H+](Cc2nnc(OC)s2)CCCC1(C)C ZINC001351412306 937016832 /nfs/dbraw/zinc/01/68/32/937016832.db2.gz UFGPAZSUBGOLOP-NSHDSACASA-N 1 2 281.425 3.113 20 30 CGEDLO C=CC[C@@H]1[N@@H+](Cc2nnc(OC)s2)CCCC1(C)C ZINC001351412306 937016835 /nfs/dbraw/zinc/01/68/35/937016835.db2.gz UFGPAZSUBGOLOP-NSHDSACASA-N 1 2 281.425 3.113 20 30 CGEDLO C=C1CCN(c2nc[nH+]c(N3CCC(=C)CC3)c2C)CC1 ZINC001354110402 937090215 /nfs/dbraw/zinc/09/02/15/937090215.db2.gz ZQPUVKWLVQPFPS-UHFFFAOYSA-N 1 2 284.407 3.098 20 30 CGEDLO CC[C@@H]([NH2+]CCCC(F)F)c1cccc(C#N)c1O ZINC001354254393 937095908 /nfs/dbraw/zinc/09/59/08/937095908.db2.gz BMSVHUJJZYKJPQ-GFCCVEGCSA-N 1 2 268.307 3.350 20 30 CGEDLO Cc1cc(NCCc2ccc(C#N)cc2)c[nH+]c1C ZINC001167679101 926829411 /nfs/dbraw/zinc/82/94/11/926829411.db2.gz KHQJDENYBWGZQU-UHFFFAOYSA-N 1 2 251.333 3.225 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001490569623 928376755 /nfs/dbraw/zinc/37/67/55/928376755.db2.gz DHMSGEQTWRBLIJ-ZIAGYGMSSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001490569623 928376762 /nfs/dbraw/zinc/37/67/62/928376762.db2.gz DHMSGEQTWRBLIJ-ZIAGYGMSSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001320039813 928486832 /nfs/dbraw/zinc/48/68/32/928486832.db2.gz QHCZQPPDWNOQPT-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC001320039813 928486838 /nfs/dbraw/zinc/48/68/38/928486838.db2.gz QHCZQPPDWNOQPT-NSHDSACASA-N 1 2 287.190 3.165 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001140600946 931959373 /nfs/dbraw/zinc/95/93/73/931959373.db2.gz BIGZGXWUKMQAMA-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001140600946 931959377 /nfs/dbraw/zinc/95/93/77/931959377.db2.gz BIGZGXWUKMQAMA-MRXNPFEDSA-N 1 2 298.777 3.339 20 30 CGEDLO CCOc1cc(Nc2cc(C#N)cc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001211329299 932012191 /nfs/dbraw/zinc/01/21/91/932012191.db2.gz USUAIXAWIXZVQF-UHFFFAOYSA-N 1 2 298.302 3.312 20 30 CGEDLO CC(C)(C)[NH+]1CC(Oc2cccc(C#N)c2Cl)C1 ZINC001229066705 932084527 /nfs/dbraw/zinc/08/45/27/932084527.db2.gz DEFUDUVYHITINW-UHFFFAOYSA-N 1 2 264.756 3.073 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c(Cl)c1 ZINC001238086953 932694043 /nfs/dbraw/zinc/69/40/43/932694043.db2.gz QWVLPPKHVFNDBR-LBPRGKRZSA-N 1 2 296.798 3.241 20 30 CGEDLO Cc1cc(NCc2c[nH]c(C(C)C)[nH+]2)c(C#N)cc1[N+](=O)[O-] ZINC001307218791 932779010 /nfs/dbraw/zinc/77/90/10/932779010.db2.gz CLQJZURGSISDPS-UHFFFAOYSA-N 1 2 299.334 3.234 20 30 CGEDLO Cc1cc(NCc2c[nH+]c(C(C)C)[nH]2)c(C#N)cc1[N+](=O)[O-] ZINC001307218791 932779013 /nfs/dbraw/zinc/77/90/13/932779013.db2.gz CLQJZURGSISDPS-UHFFFAOYSA-N 1 2 299.334 3.234 20 30 CGEDLO CCN(CC)c1ccc(NCc2csc(C#N)c2)c[nH+]1 ZINC001308339383 933097701 /nfs/dbraw/zinc/09/77/01/933097701.db2.gz NTBLRTLFDCJYPA-UHFFFAOYSA-N 1 2 286.404 3.473 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308505266 933121753 /nfs/dbraw/zinc/12/17/53/933121753.db2.gz CMWILWLHGIBTOQ-NSHDSACASA-N 1 2 285.303 3.247 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001316991419 933508404 /nfs/dbraw/zinc/50/84/04/933508404.db2.gz HVECEDWUQOVOKD-KBPBESRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001316991419 933508414 /nfs/dbraw/zinc/50/84/14/933508414.db2.gz HVECEDWUQOVOKD-KBPBESRZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001317450206 933594153 /nfs/dbraw/zinc/59/41/53/933594153.db2.gz CXCDRACFNOSVAV-KGLIPLIRSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001317450206 933594162 /nfs/dbraw/zinc/59/41/62/933594162.db2.gz CXCDRACFNOSVAV-KGLIPLIRSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC(C)C)C1 ZINC001317944405 933666705 /nfs/dbraw/zinc/66/67/05/933666705.db2.gz JNWMQHDZNPMBGP-CQSZACIVSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC(C)C)C1 ZINC001317944405 933666707 /nfs/dbraw/zinc/66/67/07/933666707.db2.gz JNWMQHDZNPMBGP-CQSZACIVSA-N 1 2 286.847 3.146 20 30 CGEDLO Cc1cccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)c1 ZINC001323088311 934363307 /nfs/dbraw/zinc/36/33/07/934363307.db2.gz RLFPJSYINAIPCO-KTKRTIGZSA-N 1 2 266.344 3.352 20 30 CGEDLO COc1cccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)c1 ZINC001323545746 934406437 /nfs/dbraw/zinc/40/64/37/934406437.db2.gz QDZAJPLIGWZDBT-KTKRTIGZSA-N 1 2 282.343 3.052 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473378702 937804007 /nfs/dbraw/zinc/80/40/07/937804007.db2.gz MXADPJXFBMBQIF-UHFFFAOYSA-N 1 2 266.728 3.092 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473378702 937804008 /nfs/dbraw/zinc/80/40/08/937804008.db2.gz MXADPJXFBMBQIF-UHFFFAOYSA-N 1 2 266.728 3.092 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CCCCCC)C1 ZINC001330075295 935266069 /nfs/dbraw/zinc/26/60/69/935266069.db2.gz SWDRECFSVIHCMO-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC001335527065 936150833 /nfs/dbraw/zinc/15/08/33/936150833.db2.gz HNYBKYMJIMSOHR-OAHLLOKOSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC001335527065 936150835 /nfs/dbraw/zinc/15/08/35/936150835.db2.gz HNYBKYMJIMSOHR-OAHLLOKOSA-N 1 2 286.404 3.080 20 30 CGEDLO C=CC[C@H](C)NC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001476659234 937889514 /nfs/dbraw/zinc/88/95/14/937889514.db2.gz SJNJDHYFYCHTSF-LBPRGKRZSA-N 1 2 298.390 3.387 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C(C)(C)C1CCC1)C1CC1 ZINC001493392358 937949992 /nfs/dbraw/zinc/94/99/92/937949992.db2.gz DGDZVQBYRYERCJ-UHFFFAOYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C(C)(C)C1CCC1)C1CC1 ZINC001493392358 937949993 /nfs/dbraw/zinc/94/99/93/937949993.db2.gz DGDZVQBYRYERCJ-UHFFFAOYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001494899636 937957251 /nfs/dbraw/zinc/95/72/51/937957251.db2.gz HHJCIZQHSZMLNI-CQSZACIVSA-N 1 2 298.858 3.264 20 30 CGEDLO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494899636 937957252 /nfs/dbraw/zinc/95/72/52/937957252.db2.gz HHJCIZQHSZMLNI-CQSZACIVSA-N 1 2 298.858 3.264 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001560574656 938263775 /nfs/dbraw/zinc/26/37/75/938263775.db2.gz JFKONKDAMUCXMZ-LLVKDONJSA-N 1 2 285.303 3.247 20 30 CGEDLO N#CCCc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC001560595453 938264553 /nfs/dbraw/zinc/26/45/53/938264553.db2.gz BLESKUXRDMESRB-UHFFFAOYSA-N 1 2 276.343 3.403 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)nccc2Cl)s1 ZINC001560893810 938282540 /nfs/dbraw/zinc/28/25/40/938282540.db2.gz XCORDKLDMSZOCD-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO FC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001560975729 938287294 /nfs/dbraw/zinc/28/72/94/938287294.db2.gz AHHLREZMZADACU-KRWDZBQOSA-N 1 2 271.310 3.478 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC1=CCCCC1 ZINC001567328799 961270858 /nfs/dbraw/zinc/27/08/58/961270858.db2.gz JRUACQKLTDJNGM-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC1=CCCCC1 ZINC001567328799 961270877 /nfs/dbraw/zinc/27/08/77/961270877.db2.gz JRUACQKLTDJNGM-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1(CCCC)CC1 ZINC001570733518 962053145 /nfs/dbraw/zinc/05/31/45/962053145.db2.gz BEVHYXTXMZYDPY-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1(CCCC)CC1 ZINC001570733518 962053161 /nfs/dbraw/zinc/05/31/61/962053161.db2.gz BEVHYXTXMZYDPY-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000590596044 346853207 /nfs/dbraw/zinc/85/32/07/346853207.db2.gz XBKHIKUGTWXOQL-LLVKDONJSA-N 1 2 275.302 3.295 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000590362422 346844088 /nfs/dbraw/zinc/84/40/88/346844088.db2.gz GZKZANOGVRLFNX-GOSISDBHSA-N 1 2 295.386 3.391 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000590362422 346844090 /nfs/dbraw/zinc/84/40/90/346844090.db2.gz GZKZANOGVRLFNX-GOSISDBHSA-N 1 2 295.386 3.391 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cccc2cnccc21)C(=O)OCC ZINC000590661513 346860991 /nfs/dbraw/zinc/86/09/91/346860991.db2.gz GAGFBSKSPAQUKC-QGZVFWFLSA-N 1 2 298.386 3.222 20 30 CGEDLO COc1ccc2[nH+]c(N[C@H]3CC[C@@H](CC#N)C3)ccc2c1 ZINC000590711729 346866563 /nfs/dbraw/zinc/86/65/63/346866563.db2.gz TUFZMXQEXCVWCG-JSGCOSHPSA-N 1 2 281.359 3.160 20 30 CGEDLO C=CC[C@@H]1CC[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000652173978 398326470 /nfs/dbraw/zinc/32/64/70/398326470.db2.gz DGKJSUGATLEDMT-CABCVRRESA-N 1 2 287.407 3.075 20 30 CGEDLO C=CC[C@H]1CC[C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC000652173979 398326492 /nfs/dbraw/zinc/32/64/92/398326492.db2.gz DGKJSUGATLEDMT-GJZGRUSLSA-N 1 2 287.407 3.075 20 30 CGEDLO N#CCC1(CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)CC1 ZINC000591366574 346917747 /nfs/dbraw/zinc/91/77/47/346917747.db2.gz BHOBXDLIMQEUGQ-UHFFFAOYSA-N 1 2 295.321 3.356 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000591845531 346941856 /nfs/dbraw/zinc/94/18/56/346941856.db2.gz FPTYVIPSRLRWKZ-GOSISDBHSA-N 1 2 292.386 3.269 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000591845531 346941858 /nfs/dbraw/zinc/94/18/58/346941858.db2.gz FPTYVIPSRLRWKZ-GOSISDBHSA-N 1 2 292.386 3.269 20 30 CGEDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592060328 346958497 /nfs/dbraw/zinc/95/84/97/346958497.db2.gz JKKLWDUWGMAQSP-CQSZACIVSA-N 1 2 265.360 3.455 20 30 CGEDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592060328 346958500 /nfs/dbraw/zinc/95/85/00/346958500.db2.gz JKKLWDUWGMAQSP-CQSZACIVSA-N 1 2 265.360 3.455 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC000177251969 529987923 /nfs/dbraw/zinc/98/79/23/529987923.db2.gz IAEJBZDMHPAMJR-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC000177251969 529987924 /nfs/dbraw/zinc/98/79/24/529987924.db2.gz IAEJBZDMHPAMJR-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO N#Cc1c(F)cccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000042677880 344986745 /nfs/dbraw/zinc/98/67/45/344986745.db2.gz MDGPXMAMWVCJMW-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO N#Cc1c(F)cccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000042926730 344990295 /nfs/dbraw/zinc/99/02/95/344990295.db2.gz WXLZKGOJICZFIH-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO CCc1nc(C[N@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000046518867 345041052 /nfs/dbraw/zinc/04/10/52/345041052.db2.gz COKBSXBSIHRYOU-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)cs1 ZINC000046518867 345041054 /nfs/dbraw/zinc/04/10/54/345041054.db2.gz COKBSXBSIHRYOU-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3cccc(F)c3C#N)cn21 ZINC000068772572 345362008 /nfs/dbraw/zinc/36/20/08/345362008.db2.gz UANATFJRFMSNPA-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000093091093 345869321 /nfs/dbraw/zinc/86/93/21/345869321.db2.gz LNJVVEPUBBNAKZ-LLVKDONJSA-N 1 2 268.307 3.330 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000093091093 345869324 /nfs/dbraw/zinc/86/93/24/345869324.db2.gz LNJVVEPUBBNAKZ-LLVKDONJSA-N 1 2 268.307 3.330 20 30 CGEDLO CCc1ncc(C[N@H+](CCC#N)CC(C)(C)C)s1 ZINC000093101089 345869420 /nfs/dbraw/zinc/86/94/20/345869420.db2.gz XYMSDGPAJYNYBT-UHFFFAOYSA-N 1 2 265.426 3.467 20 30 CGEDLO CCc1ncc(C[N@@H+](CCC#N)CC(C)(C)C)s1 ZINC000093101089 345869422 /nfs/dbraw/zinc/86/94/22/345869422.db2.gz XYMSDGPAJYNYBT-UHFFFAOYSA-N 1 2 265.426 3.467 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cc1Br ZINC000125685681 346018348 /nfs/dbraw/zinc/01/83/48/346018348.db2.gz RXONVESMBBPVRM-QMMMGPOBSA-N 1 2 287.588 3.352 20 30 CGEDLO COc1ccc2[nH+]c(NCCCCC#N)ccc2c1 ZINC000171609793 346209092 /nfs/dbraw/zinc/20/90/92/346209092.db2.gz PUVDSUQTGYRILR-UHFFFAOYSA-N 1 2 255.321 3.349 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000297216266 346434747 /nfs/dbraw/zinc/43/47/47/346434747.db2.gz ZAHXFWUAMKOSJO-UHFFFAOYSA-N 1 2 261.369 3.422 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(O)c2Cl)CCCC1 ZINC000593654751 347101418 /nfs/dbraw/zinc/10/14/18/347101418.db2.gz NATICSCBSOLRRQ-UHFFFAOYSA-N 1 2 264.756 3.219 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1N ZINC000380170665 346556305 /nfs/dbraw/zinc/55/63/05/346556305.db2.gz MXIFXEQPRSPMMX-UHFFFAOYSA-N 1 2 272.179 3.311 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1N ZINC000380170665 346556306 /nfs/dbraw/zinc/55/63/06/346556306.db2.gz MXIFXEQPRSPMMX-UHFFFAOYSA-N 1 2 272.179 3.311 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000397601227 346583707 /nfs/dbraw/zinc/58/37/07/346583707.db2.gz NAFXHUAZOMHMGI-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000397601227 346583711 /nfs/dbraw/zinc/58/37/11/346583711.db2.gz NAFXHUAZOMHMGI-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)Cc1ccsc1)C(=O)OCC ZINC000562523117 346660105 /nfs/dbraw/zinc/66/01/05/346660105.db2.gz OFWMYXWMZCEAMA-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000490780795 346627472 /nfs/dbraw/zinc/62/74/72/346627472.db2.gz RFFYBIFLQPKZFF-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000490780795 346627474 /nfs/dbraw/zinc/62/74/74/346627474.db2.gz RFFYBIFLQPKZFF-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncn1CC)c1ccc(Cl)cc1 ZINC000491622828 346628932 /nfs/dbraw/zinc/62/89/32/346628932.db2.gz JEDIZJVHCPFJNJ-OAHLLOKOSA-N 1 2 273.767 3.021 20 30 CGEDLO C=C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)C(C)C)C(=O)OC ZINC000586642362 346732498 /nfs/dbraw/zinc/73/24/98/346732498.db2.gz VBSYIESONBQBLI-LSDHHAIUSA-N 1 2 295.810 3.397 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000594028728 347140054 /nfs/dbraw/zinc/14/00/54/347140054.db2.gz XJJZTOVIWYZLJR-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000594028728 347140057 /nfs/dbraw/zinc/14/00/57/347140057.db2.gz XJJZTOVIWYZLJR-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(C#N)c2)c(C)c1 ZINC000594595721 347198485 /nfs/dbraw/zinc/19/84/85/347198485.db2.gz IQGQKEKCZXOXKC-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(C2CC2)no1 ZINC000595327174 347291752 /nfs/dbraw/zinc/29/17/52/347291752.db2.gz CUUZSLBLGCQYGS-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(C2CC2)no1 ZINC000595327174 347291754 /nfs/dbraw/zinc/29/17/54/347291754.db2.gz CUUZSLBLGCQYGS-UHFFFAOYSA-N 1 2 261.369 3.314 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000595814737 347358916 /nfs/dbraw/zinc/35/89/16/347358916.db2.gz ILUUYFJOKHKXJG-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C#N)c1F ZINC000595814737 347358921 /nfs/dbraw/zinc/35/89/21/347358921.db2.gz ILUUYFJOKHKXJG-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595758872 347351248 /nfs/dbraw/zinc/35/12/48/347351248.db2.gz JNRZFZWRYIXNLY-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000595758872 347351252 /nfs/dbraw/zinc/35/12/52/347351252.db2.gz JNRZFZWRYIXNLY-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO CC1(C)CCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1C#N ZINC000595463821 347307623 /nfs/dbraw/zinc/30/76/23/347307623.db2.gz AKBSZXPORHNBCT-MRXNPFEDSA-N 1 2 267.376 3.115 20 30 CGEDLO CC1(C)CCC[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1C#N ZINC000595463821 347307626 /nfs/dbraw/zinc/30/76/26/347307626.db2.gz AKBSZXPORHNBCT-MRXNPFEDSA-N 1 2 267.376 3.115 20 30 CGEDLO CO[C@]1(C)CCC[N@@H+]([C@@H](C#N)c2ccccc2)CC1 ZINC000595466581 347307897 /nfs/dbraw/zinc/30/78/97/347307897.db2.gz VPSPVSNMSOTXEQ-JKSUJKDBSA-N 1 2 258.365 3.142 20 30 CGEDLO CO[C@]1(C)CCC[N@H+]([C@@H](C#N)c2ccccc2)CC1 ZINC000595466581 347307899 /nfs/dbraw/zinc/30/78/99/347307899.db2.gz VPSPVSNMSOTXEQ-JKSUJKDBSA-N 1 2 258.365 3.142 20 30 CGEDLO C[N@H+](CCCC(C)(C)C#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595522631 347315338 /nfs/dbraw/zinc/31/53/38/347315338.db2.gz DFPXVDOLZMBYNT-OAHLLOKOSA-N 1 2 297.406 3.156 20 30 CGEDLO C[N@@H+](CCCC(C)(C)C#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595522631 347315341 /nfs/dbraw/zinc/31/53/41/347315341.db2.gz DFPXVDOLZMBYNT-OAHLLOKOSA-N 1 2 297.406 3.156 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)OC)c1ccccc1F ZINC000595846016 347367346 /nfs/dbraw/zinc/36/73/46/347367346.db2.gz ZHWMXHOKIPTGQL-DVOMOZLQSA-N 1 2 289.350 3.223 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OC)c1ccccc1F ZINC000595846016 347367347 /nfs/dbraw/zinc/36/73/47/347367347.db2.gz ZHWMXHOKIPTGQL-DVOMOZLQSA-N 1 2 289.350 3.223 20 30 CGEDLO N#CC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596326606 347418362 /nfs/dbraw/zinc/41/83/62/347418362.db2.gz WYUUJFRCIGCJLC-GFCCVEGCSA-N 1 2 296.330 3.273 20 30 CGEDLO Cc1cc(N[C@@H]2CC[C@@H]2c2ccccc2)c(C#N)c[nH+]1 ZINC000596499196 347469432 /nfs/dbraw/zinc/46/94/32/347469432.db2.gz PVDGRJKZJWGYKM-HZPDHXFCSA-N 1 2 263.344 3.042 20 30 CGEDLO Cc1cc(C)c(NC(=O)N2CCC[C@H](CC#N)C2)c(C)[nH+]1 ZINC000596912132 347519548 /nfs/dbraw/zinc/51/95/48/347519548.db2.gz BBQBSLVUTCVREJ-CQSZACIVSA-N 1 2 286.379 3.164 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597177432 347545448 /nfs/dbraw/zinc/54/54/48/347545448.db2.gz MGSLLJZWGMIDTL-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000597177432 347545450 /nfs/dbraw/zinc/54/54/50/347545450.db2.gz MGSLLJZWGMIDTL-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000597173517 347543472 /nfs/dbraw/zinc/54/34/72/347543472.db2.gz JNDDLRZQBUGCTE-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000597173517 347543473 /nfs/dbraw/zinc/54/34/73/347543473.db2.gz JNDDLRZQBUGCTE-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000597232069 347560033 /nfs/dbraw/zinc/56/00/33/347560033.db2.gz RUACRFUGQVNXGW-KRWDZBQOSA-N 1 2 286.375 3.067 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000597232069 347560036 /nfs/dbraw/zinc/56/00/36/347560036.db2.gz RUACRFUGQVNXGW-KRWDZBQOSA-N 1 2 286.375 3.067 20 30 CGEDLO CSc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597231891 347560047 /nfs/dbraw/zinc/56/00/47/347560047.db2.gz PQMHAXLZASAHHR-LBPRGKRZSA-N 1 2 252.408 3.206 20 30 CGEDLO CSc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597231891 347560049 /nfs/dbraw/zinc/56/00/49/347560049.db2.gz PQMHAXLZASAHHR-LBPRGKRZSA-N 1 2 252.408 3.206 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599090914 347716158 /nfs/dbraw/zinc/71/61/58/347716158.db2.gz KOWLLDDFLKZBLZ-WFASDCNBSA-N 1 2 299.330 3.146 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599687439 347765860 /nfs/dbraw/zinc/76/58/60/347765860.db2.gz RTMSHWVFHHREHG-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599687439 347765862 /nfs/dbraw/zinc/76/58/62/347765862.db2.gz RTMSHWVFHHREHG-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO C[C@]1(C[N@H+](CCC#N)Cc2ccco2)CCCS1 ZINC000600107014 347779801 /nfs/dbraw/zinc/77/98/01/347779801.db2.gz QFUBXBXDGGHVJC-CQSZACIVSA-N 1 2 264.394 3.281 20 30 CGEDLO C[C@]1(C[N@@H+](CCC#N)Cc2ccco2)CCCS1 ZINC000600107014 347779803 /nfs/dbraw/zinc/77/98/03/347779803.db2.gz QFUBXBXDGGHVJC-CQSZACIVSA-N 1 2 264.394 3.281 20 30 CGEDLO Cc1cc(C#N)cc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000602156806 347938801 /nfs/dbraw/zinc/93/88/01/347938801.db2.gz BPEHTQWFLQRMEW-MRXNPFEDSA-N 1 2 296.374 3.289 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(C(F)F)nc1)CC1CC1 ZINC000602464975 347963014 /nfs/dbraw/zinc/96/30/14/347963014.db2.gz IZIMNCCHTSKYAZ-UHFFFAOYSA-N 1 2 265.307 3.145 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(C(F)F)nc1)CC1CC1 ZINC000602464975 347963015 /nfs/dbraw/zinc/96/30/15/347963015.db2.gz IZIMNCCHTSKYAZ-UHFFFAOYSA-N 1 2 265.307 3.145 20 30 CGEDLO CC(C)COC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccco1 ZINC000602534856 347977314 /nfs/dbraw/zinc/97/73/14/347977314.db2.gz SHCDNSAILISDKA-INIZCTEOSA-N 1 2 299.374 3.050 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(C3CC3)no2)CCCCC1 ZINC000602716135 348016392 /nfs/dbraw/zinc/01/63/92/348016392.db2.gz IJCAZNKCXNCBBR-UHFFFAOYSA-N 1 2 259.353 3.116 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](CC)Cc1cccs1)C(=O)OC ZINC000602732322 348020202 /nfs/dbraw/zinc/02/02/02/348020202.db2.gz ARMSUCOYJHROIA-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO COCc1cc(C#N)ccc1NCCc1cc[nH+]cc1C ZINC000603324307 348071280 /nfs/dbraw/zinc/07/12/80/348071280.db2.gz FAVIHVCWRYCTLE-UHFFFAOYSA-N 1 2 281.359 3.063 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C2CCC2)no1)c1cccc(C#N)c1 ZINC000602805025 348031563 /nfs/dbraw/zinc/03/15/63/348031563.db2.gz JSDRAAYSJFYBEM-LLVKDONJSA-N 1 2 282.347 3.060 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602869660 348039325 /nfs/dbraw/zinc/03/93/25/348039325.db2.gz HBICKCJXLNBDHU-MRVPVSSYSA-N 1 2 287.241 3.005 20 30 CGEDLO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[C@H]1C#N ZINC000602977006 348049315 /nfs/dbraw/zinc/04/93/15/348049315.db2.gz WJNUUIZDHFOYME-WCQYABFASA-N 1 2 292.766 3.193 20 30 CGEDLO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[C@H]1C#N ZINC000602977006 348049316 /nfs/dbraw/zinc/04/93/16/348049316.db2.gz WJNUUIZDHFOYME-WCQYABFASA-N 1 2 292.766 3.193 20 30 CGEDLO C[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[C@H]1C#N ZINC000602977732 348049351 /nfs/dbraw/zinc/04/93/51/348049351.db2.gz GIVGPWJFYNBCPL-YOEHRIQHSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[C@H]1C#N ZINC000602977732 348049353 /nfs/dbraw/zinc/04/93/53/348049353.db2.gz GIVGPWJFYNBCPL-YOEHRIQHSA-N 1 2 265.360 3.359 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980116 348050272 /nfs/dbraw/zinc/05/02/72/348050272.db2.gz LZRVAOOMKHKMQU-SMDDNHRTSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980116 348050273 /nfs/dbraw/zinc/05/02/73/348050273.db2.gz LZRVAOOMKHKMQU-SMDDNHRTSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602979591 348050353 /nfs/dbraw/zinc/05/03/53/348050353.db2.gz GGSATPDRXFFUNN-DOMZBBRYSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602979591 348050355 /nfs/dbraw/zinc/05/03/55/348050355.db2.gz GGSATPDRXFFUNN-DOMZBBRYSA-N 1 2 273.767 3.336 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000607727851 348257952 /nfs/dbraw/zinc/25/79/52/348257952.db2.gz UIRHWYQPVMMAJZ-NSHDSACASA-N 1 2 266.182 3.465 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000607727851 348257955 /nfs/dbraw/zinc/25/79/55/348257955.db2.gz UIRHWYQPVMMAJZ-NSHDSACASA-N 1 2 266.182 3.465 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)c(F)c1 ZINC000609239875 348341183 /nfs/dbraw/zinc/34/11/83/348341183.db2.gz HNSLKZZJQQXGNW-UHFFFAOYSA-N 1 2 264.687 3.234 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1 ZINC000610583445 348392033 /nfs/dbraw/zinc/39/20/33/348392033.db2.gz JBGWXWGWZQHXKL-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO Cc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000610674935 348395459 /nfs/dbraw/zinc/39/54/59/348395459.db2.gz XBZPFOFLYBWKSC-LBPRGKRZSA-N 1 2 294.358 3.453 20 30 CGEDLO Cc1cc(NC2CCN(CC#N)CC2)c2cccc(F)c2[nH+]1 ZINC000610807801 348404469 /nfs/dbraw/zinc/40/44/69/348404469.db2.gz DJIQRNKJTDNKTR-UHFFFAOYSA-N 1 2 298.365 3.082 20 30 CGEDLO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(C#N)c1 ZINC000611388485 348443890 /nfs/dbraw/zinc/44/38/90/348443890.db2.gz IPYFXGPLYQBENL-LBPRGKRZSA-N 1 2 281.359 3.276 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC000612406935 348517325 /nfs/dbraw/zinc/51/73/25/348517325.db2.gz XMLBIPLHSWOXJM-INIZCTEOSA-N 1 2 274.412 3.036 20 30 CGEDLO CCCn1nc(C)c(C[N@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC000612406935 348517328 /nfs/dbraw/zinc/51/73/28/348517328.db2.gz XMLBIPLHSWOXJM-INIZCTEOSA-N 1 2 274.412 3.036 20 30 CGEDLO C[N@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000352011540 219288075 /nfs/dbraw/zinc/28/80/75/219288075.db2.gz SCZYEYKSBVCMTO-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1ncc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000352011540 219288077 /nfs/dbraw/zinc/28/80/77/219288077.db2.gz SCZYEYKSBVCMTO-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000618577870 349110296 /nfs/dbraw/zinc/11/02/96/349110296.db2.gz YOLAWVCNJQWINX-JSGCOSHPSA-N 1 2 264.319 3.450 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@@H]2CCc3cc(C#N)ccc32)[nH+]1 ZINC000618693543 349145524 /nfs/dbraw/zinc/14/55/24/349145524.db2.gz IWMSURQZPCFHFT-OAHLLOKOSA-N 1 2 289.342 3.237 20 30 CGEDLO N#CCC[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000618824313 349158306 /nfs/dbraw/zinc/15/83/06/349158306.db2.gz CFGOVCOBQQHQSG-CQSZACIVSA-N 1 2 297.427 3.419 20 30 CGEDLO Cc1cc(NCc2ccc(C#N)c(Cl)c2)nc(C2CC2)[nH+]1 ZINC000619746522 349280992 /nfs/dbraw/zinc/28/09/92/349280992.db2.gz AQAVWAMSBBGEPX-UHFFFAOYSA-N 1 2 298.777 3.222 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000620304449 349353389 /nfs/dbraw/zinc/35/33/89/349353389.db2.gz ZWJMRYRNPKLLBP-GASCZTMLSA-N 1 2 295.386 3.205 20 30 CGEDLO C=CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCCCC1 ZINC000620612291 349393072 /nfs/dbraw/zinc/39/30/72/349393072.db2.gz UHELVMNTPLAFRY-ZDUSSCGKSA-N 1 2 275.396 3.124 20 30 CGEDLO C=CCCC(C)(C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000620858546 349430420 /nfs/dbraw/zinc/43/04/20/349430420.db2.gz IXZQNWSNJFYYLA-UHFFFAOYSA-N 1 2 285.391 3.206 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000336491963 213365269 /nfs/dbraw/zinc/36/52/69/213365269.db2.gz CIRLTLAWWJGYNO-ABAIWWIYSA-N 1 2 269.373 3.208 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000336491963 213365273 /nfs/dbraw/zinc/36/52/73/213365273.db2.gz CIRLTLAWWJGYNO-ABAIWWIYSA-N 1 2 269.373 3.208 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(CCCC)no1)c1ccccc1 ZINC000271664849 191265454 /nfs/dbraw/zinc/26/54/54/191265454.db2.gz FCGCLMOJZSLZBC-OAHLLOKOSA-N 1 2 283.375 3.266 20 30 CGEDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000336445722 213310235 /nfs/dbraw/zinc/31/02/35/213310235.db2.gz XWEASKIGDOJBJQ-QGZVFWFLSA-N 1 2 280.375 3.147 20 30 CGEDLO Cc1ccc2[nH+]c(CN(CCC#N)CC(C)(C)C)cn2c1 ZINC000157232554 188305358 /nfs/dbraw/zinc/30/53/58/188305358.db2.gz SNNBXEIYURNBAE-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO N#Cc1c(Cl)cccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000297574972 283073514 /nfs/dbraw/zinc/07/35/14/283073514.db2.gz SHXINOXVFBUNRC-GFCCVEGCSA-N 1 2 298.777 3.297 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3ccc(C#N)cc3)cn21 ZINC000109322037 138361551 /nfs/dbraw/zinc/36/15/51/138361551.db2.gz XBPPCMPLOTZIFQ-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1cc(N2CCC[C@H](Oc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425221223 236221307 /nfs/dbraw/zinc/22/13/07/236221307.db2.gz DPMPTNKOPXFTQI-KRWDZBQOSA-N 1 2 293.370 3.310 20 30 CGEDLO Cc1cc(N2CC[C@@H](COc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425242832 236223664 /nfs/dbraw/zinc/22/36/64/236223664.db2.gz DGKZIFXIXCTLNR-OAHLLOKOSA-N 1 2 293.370 3.167 20 30 CGEDLO Cc1cc(N(C)Cc2ccc(F)cc2C)c(C#N)c[nH+]1 ZINC000425262444 236224364 /nfs/dbraw/zinc/22/43/64/236224364.db2.gz RJCRMWGVQKAMBI-UHFFFAOYSA-N 1 2 269.323 3.346 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341801856 216110880 /nfs/dbraw/zinc/11/08/80/216110880.db2.gz XYXROJWCWLGFOP-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341801856 216110882 /nfs/dbraw/zinc/11/08/82/216110882.db2.gz XYXROJWCWLGFOP-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO Cc1ncsc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000178976390 189159257 /nfs/dbraw/zinc/15/92/57/189159257.db2.gz YRIMXOQWMMQIOI-UHFFFAOYSA-N 1 2 274.364 3.074 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000178976390 189159258 /nfs/dbraw/zinc/15/92/58/189159258.db2.gz YRIMXOQWMMQIOI-UHFFFAOYSA-N 1 2 274.364 3.074 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H]2COc3cccc(Cl)c32)c1 ZINC000342417148 216346267 /nfs/dbraw/zinc/34/62/67/216346267.db2.gz MBXPODJOQVELES-GFCCVEGCSA-N 1 2 290.775 3.496 20 30 CGEDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000453325624 240846002 /nfs/dbraw/zinc/84/60/02/240846002.db2.gz XMCHVAFZGUJFHT-BBRMVZONSA-N 1 2 288.391 3.185 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccco2)on1)Cc1cccc(C#N)c1 ZINC000046856629 369297692 /nfs/dbraw/zinc/29/76/92/369297692.db2.gz VXLVGBRCOCIBIE-UHFFFAOYSA-N 1 2 293.326 3.438 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccco2)on1)Cc1cccc(C#N)c1 ZINC000046856629 369297698 /nfs/dbraw/zinc/29/76/98/369297698.db2.gz VXLVGBRCOCIBIE-UHFFFAOYSA-N 1 2 293.326 3.438 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(C#N)c(F)c1 ZINC000453273951 296144366 /nfs/dbraw/zinc/14/43/66/296144366.db2.gz AJJBTIVMFLYMQK-BDAKNGLRSA-N 1 2 256.271 3.392 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c(C)nn(-c2ccccc2)c1C ZINC000127613018 370955019 /nfs/dbraw/zinc/95/50/19/370955019.db2.gz YFZAFDMIFOXORM-UHFFFAOYSA-N 1 2 282.391 3.225 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c(C)nn(-c2ccccc2)c1C ZINC000127613018 370955025 /nfs/dbraw/zinc/95/50/25/370955025.db2.gz YFZAFDMIFOXORM-UHFFFAOYSA-N 1 2 282.391 3.225 20 30 CGEDLO CCCc1noc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000054340683 369501779 /nfs/dbraw/zinc/50/17/79/369501779.db2.gz WLOCCEGYDPHDMI-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCc1noc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000054340683 369501784 /nfs/dbraw/zinc/50/17/84/369501784.db2.gz WLOCCEGYDPHDMI-CYBMUJFWSA-N 1 2 298.390 3.477 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cccc(Br)c1 ZINC000063088279 369638474 /nfs/dbraw/zinc/63/84/74/369638474.db2.gz HIFYXNIWFUJIJZ-NSHDSACASA-N 1 2 297.196 3.062 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cccc(Br)c1 ZINC000063088279 369638482 /nfs/dbraw/zinc/63/84/82/369638482.db2.gz HIFYXNIWFUJIJZ-NSHDSACASA-N 1 2 297.196 3.062 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066847419 369707512 /nfs/dbraw/zinc/70/75/12/369707512.db2.gz COPVCBMTCAVTOH-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066847419 369707514 /nfs/dbraw/zinc/70/75/14/369707514.db2.gz COPVCBMTCAVTOH-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CCC#N ZINC000083218331 370003658 /nfs/dbraw/zinc/00/36/58/370003658.db2.gz MVSYZUZOVDRYTL-SNVBAGLBSA-N 1 2 272.270 3.492 20 30 CGEDLO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC000083218331 370003664 /nfs/dbraw/zinc/00/36/64/370003664.db2.gz MVSYZUZOVDRYTL-SNVBAGLBSA-N 1 2 272.270 3.492 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H](C)C#N ZINC000091984296 370085666 /nfs/dbraw/zinc/08/56/66/370085666.db2.gz NWHOIEBPPOXDJB-ZDUSSCGKSA-N 1 2 268.364 3.058 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H](C)C#N ZINC000091984296 370085673 /nfs/dbraw/zinc/08/56/73/370085673.db2.gz NWHOIEBPPOXDJB-ZDUSSCGKSA-N 1 2 268.364 3.058 20 30 CGEDLO CCN(Cc1c[nH+]c(C)n1-c1ccccc1)C[C@@H](C)C#N ZINC000091983276 370085856 /nfs/dbraw/zinc/08/58/56/370085856.db2.gz XXLRNMHPFVODMO-AWEZNQCLSA-N 1 2 282.391 3.162 20 30 CGEDLO Cc1cccc(C[NH+](CCCC#N)Cc2cccc(C)n2)n1 ZINC000132633685 371189745 /nfs/dbraw/zinc/18/97/45/371189745.db2.gz XHMFHEJXBBXWDY-UHFFFAOYSA-N 1 2 294.402 3.399 20 30 CGEDLO COc1cc(C#N)ccc1OCc1c(C)[nH+]c2ccccn21 ZINC000133051859 371223794 /nfs/dbraw/zinc/22/37/94/371223794.db2.gz COZYWNTTXAZODQ-UHFFFAOYSA-N 1 2 293.326 3.102 20 30 CGEDLO C=C(C)[C@H]([NH2+][C@H](C)c1nncn1C)c1ccc(F)c(F)c1 ZINC000287775547 371704832 /nfs/dbraw/zinc/70/48/32/371704832.db2.gz NEFJVWAVBLCODN-YGRLFVJLSA-N 1 2 292.333 3.061 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)[C@H]1[C@H]1CCCO1 ZINC000289682866 371792916 /nfs/dbraw/zinc/79/29/16/371792916.db2.gz HSERMNOYUFGQHK-CVEARBPZSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1[C@H]1CCCO1 ZINC000289682866 371792920 /nfs/dbraw/zinc/79/29/20/371792920.db2.gz HSERMNOYUFGQHK-CVEARBPZSA-N 1 2 288.366 3.087 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccco1 ZINC000155456694 371929392 /nfs/dbraw/zinc/92/93/92/371929392.db2.gz KIQRSNJRKHYUCH-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccco1 ZINC000155456694 371929400 /nfs/dbraw/zinc/92/94/00/371929400.db2.gz KIQRSNJRKHYUCH-UHFFFAOYSA-N 1 2 259.736 3.417 20 30 CGEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000156030753 371958002 /nfs/dbraw/zinc/95/80/02/371958002.db2.gz VYDUNQGBEGVFHC-OLZOCXBDSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000156030753 371958006 /nfs/dbraw/zinc/95/80/06/371958006.db2.gz VYDUNQGBEGVFHC-OLZOCXBDSA-N 1 2 297.320 3.166 20 30 CGEDLO Cc1cnc([C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344139256 217069602 /nfs/dbraw/zinc/06/96/02/217069602.db2.gz KSTAFSYGNBNVJJ-AWEZNQCLSA-N 1 2 299.374 3.064 20 30 CGEDLO Cc1cnc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344139256 217069605 /nfs/dbraw/zinc/06/96/05/217069605.db2.gz KSTAFSYGNBNVJJ-AWEZNQCLSA-N 1 2 299.374 3.064 20 30 CGEDLO Cc1cc(F)cc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000159301401 372129087 /nfs/dbraw/zinc/12/90/87/372129087.db2.gz ZJCMAGYXTZUJCL-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc2O1 ZINC000429176312 372319627 /nfs/dbraw/zinc/31/96/27/372319627.db2.gz NOAUZYYZVCRXPP-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc2O1 ZINC000429176312 372319632 /nfs/dbraw/zinc/31/96/32/372319632.db2.gz NOAUZYYZVCRXPP-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000431831721 372506024 /nfs/dbraw/zinc/50/60/24/372506024.db2.gz DJSTXVMTMBJNFQ-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000433304042 372587769 /nfs/dbraw/zinc/58/77/69/372587769.db2.gz MFXPXEILFKODML-AWEZNQCLSA-N 1 2 293.455 3.038 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000433304042 372587773 /nfs/dbraw/zinc/58/77/73/372587773.db2.gz MFXPXEILFKODML-AWEZNQCLSA-N 1 2 293.455 3.038 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)cc1C ZINC000433307137 372588649 /nfs/dbraw/zinc/58/86/49/372588649.db2.gz UCUIJARMIJXRFH-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000433307137 372588656 /nfs/dbraw/zinc/58/86/56/372588656.db2.gz UCUIJARMIJXRFH-CQSZACIVSA-N 1 2 287.407 3.112 20 30 CGEDLO CCn1cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cn1 ZINC000295884367 372947797 /nfs/dbraw/zinc/94/77/97/372947797.db2.gz CIILIGJQZWRHKY-LLVKDONJSA-N 1 2 288.782 3.279 20 30 CGEDLO C=CCN1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000441443348 373015390 /nfs/dbraw/zinc/01/53/90/373015390.db2.gz ZEZOHFXHKFRBFV-MRXNPFEDSA-N 1 2 280.362 3.220 20 30 CGEDLO Cc1ccc(NCc2ccc(C#N)cc2F)c(C)[nH+]1 ZINC000344827722 217325088 /nfs/dbraw/zinc/32/50/88/217325088.db2.gz AGTWWHLAWJORPB-UHFFFAOYSA-N 1 2 255.296 3.321 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C#N)cc1F ZINC000353613883 220190250 /nfs/dbraw/zinc/19/02/50/220190250.db2.gz WSXVGBBKPLFGLX-GFCCVEGCSA-N 1 2 298.365 3.009 20 30 CGEDLO Cc1c(C#N)cccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000179055484 373833488 /nfs/dbraw/zinc/83/34/88/373833488.db2.gz OFVPRLJDCZVYMY-UHFFFAOYSA-N 1 2 294.280 3.238 20 30 CGEDLO C=CC[N@@H+](Cc1cnoc1C)Cc1cccc(C#N)c1 ZINC000181663058 374152112 /nfs/dbraw/zinc/15/21/12/374152112.db2.gz VDGQKHLVCNNZME-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1cnoc1C)Cc1cccc(C#N)c1 ZINC000181663058 374152118 /nfs/dbraw/zinc/15/21/18/374152118.db2.gz VDGQKHLVCNNZME-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)cn21 ZINC000328988614 374398619 /nfs/dbraw/zinc/39/86/19/374398619.db2.gz RPJBKZAZCXKCBZ-WCQYABFASA-N 1 2 299.374 3.105 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000329315377 374403220 /nfs/dbraw/zinc/40/32/20/374403220.db2.gz QKBCLMFJHXNYGD-RDBSUJKOSA-N 1 2 290.411 3.082 20 30 CGEDLO Cc1ccc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c(C)[nH+]1 ZINC000329359173 374407077 /nfs/dbraw/zinc/40/70/77/374407077.db2.gz GKCUKCRSVWAXIR-CABZTGNLSA-N 1 2 260.337 3.292 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c(C)[nH+]1 ZINC000329359174 374407129 /nfs/dbraw/zinc/40/71/29/374407129.db2.gz GKCUKCRSVWAXIR-JOYOIKCWSA-N 1 2 260.337 3.292 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000183832790 374462910 /nfs/dbraw/zinc/46/29/10/374462910.db2.gz LJDQMYJWMCIUGD-LBPRGKRZSA-N 1 2 269.323 3.137 20 30 CGEDLO CC(C)(C)CCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330643509 374487000 /nfs/dbraw/zinc/48/70/00/374487000.db2.gz GXBJVOMVVRRWCZ-LBPRGKRZSA-N 1 2 278.400 3.287 20 30 CGEDLO N#Cc1csc(C[NH+]2CC(C3CCCCC3)C2)n1 ZINC000334646397 374939322 /nfs/dbraw/zinc/93/93/22/374939322.db2.gz IILXYUHWRJTWGX-UHFFFAOYSA-N 1 2 261.394 3.027 20 30 CGEDLO Cc1cc(N2CCC[C@@H](CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335116593 375145621 /nfs/dbraw/zinc/14/56/21/375145621.db2.gz LIVINHTWTKZJJI-NSHDSACASA-N 1 2 283.297 3.431 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CCC1(F)F ZINC000335336443 375263811 /nfs/dbraw/zinc/26/38/11/375263811.db2.gz KWFRLFYQOVVQPM-JTQLQIEISA-N 1 2 268.282 3.174 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCC1(F)F ZINC000335336443 375263817 /nfs/dbraw/zinc/26/38/17/375263817.db2.gz KWFRLFYQOVVQPM-JTQLQIEISA-N 1 2 268.282 3.174 20 30 CGEDLO C=CCC1(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000189340048 375370358 /nfs/dbraw/zinc/37/03/58/375370358.db2.gz CXGVGASSBCQXNV-HUUCEWRRSA-N 1 2 287.407 3.039 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762197 375452320 /nfs/dbraw/zinc/45/23/20/375452320.db2.gz HJWPXJVDLZYUKR-HJWRWDBZSA-N 1 2 273.380 3.018 20 30 CGEDLO Cc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000335862353 375492161 /nfs/dbraw/zinc/49/21/61/375492161.db2.gz DQFUGYZMMXSJRX-LBPRGKRZSA-N 1 2 294.358 3.453 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000500780981 375637943 /nfs/dbraw/zinc/63/79/43/375637943.db2.gz MRUNFTGWXQJMEU-HOTGVXAUSA-N 1 2 275.392 3.105 20 30 CGEDLO N#CCC[N@@H+](Cc1cccnc1C(F)(F)F)CC1CC1 ZINC000528396982 375900028 /nfs/dbraw/zinc/90/00/28/375900028.db2.gz CEEBPWMNICIWJV-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC[N@H+](Cc1cccnc1C(F)(F)F)CC1CC1 ZINC000528396982 375900034 /nfs/dbraw/zinc/90/00/34/375900034.db2.gz CEEBPWMNICIWJV-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(OC)nc1C ZINC000337131440 376089228 /nfs/dbraw/zinc/08/92/28/376089228.db2.gz KNPLPWJYXDYCCY-UHFFFAOYSA-N 1 2 289.404 3.043 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(OC)nc1C ZINC000337131440 376089229 /nfs/dbraw/zinc/08/92/29/376089229.db2.gz KNPLPWJYXDYCCY-UHFFFAOYSA-N 1 2 289.404 3.043 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000538037676 376218532 /nfs/dbraw/zinc/21/85/32/376218532.db2.gz IPYAYBGDFAIEKT-MRXNPFEDSA-N 1 2 263.356 3.474 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000538037676 376218539 /nfs/dbraw/zinc/21/85/39/376218539.db2.gz IPYAYBGDFAIEKT-MRXNPFEDSA-N 1 2 263.356 3.474 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccc(F)cc1 ZINC000338261068 376301136 /nfs/dbraw/zinc/30/11/36/376301136.db2.gz IGUASGVKNGTWTL-LLVKDONJSA-N 1 2 252.358 3.009 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccc(F)cc1 ZINC000338261068 376301143 /nfs/dbraw/zinc/30/11/43/376301143.db2.gz IGUASGVKNGTWTL-LLVKDONJSA-N 1 2 252.358 3.009 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1cc(C#N)ccc1F ZINC000334294102 206322293 /nfs/dbraw/zinc/32/22/93/206322293.db2.gz SAECHPUROLOMFD-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000264499997 190114245 /nfs/dbraw/zinc/11/42/45/190114245.db2.gz VEDAYXRFVGXQPO-UHFFFAOYSA-N 1 2 298.308 3.296 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000544600572 376750530 /nfs/dbraw/zinc/75/05/30/376750530.db2.gz ZUHBBWSZDZCKET-LLVKDONJSA-N 1 2 257.362 3.059 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339766532 376838018 /nfs/dbraw/zinc/83/80/18/376838018.db2.gz CBYHKLYLQQKIMF-KRWDZBQOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339766532 376838023 /nfs/dbraw/zinc/83/80/23/376838023.db2.gz CBYHKLYLQQKIMF-KRWDZBQOSA-N 1 2 288.366 3.088 20 30 CGEDLO FC(F)O[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000555071050 376854711 /nfs/dbraw/zinc/85/47/11/376854711.db2.gz KTISDIFBRIJINH-LBPRGKRZSA-N 1 2 285.721 3.005 20 30 CGEDLO FC(F)O[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000555071050 376854718 /nfs/dbraw/zinc/85/47/18/376854718.db2.gz KTISDIFBRIJINH-LBPRGKRZSA-N 1 2 285.721 3.005 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000566429402 377497394 /nfs/dbraw/zinc/49/73/94/377497394.db2.gz VAQYFXKTHDGTHA-YPMHNXCESA-N 1 2 293.798 3.257 20 30 CGEDLO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1(C#N)CC1 ZINC000572554550 377549415 /nfs/dbraw/zinc/54/94/15/377549415.db2.gz BCAFWZGAXVLVMW-UHFFFAOYSA-N 1 2 285.174 3.395 20 30 CGEDLO CC(C)CCn1nc(C[NH2+]CCC#N)c2ccccc21 ZINC000573477107 377557811 /nfs/dbraw/zinc/55/78/11/377557811.db2.gz DUMNDBPXJOHZMP-UHFFFAOYSA-N 1 2 270.380 3.086 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c(Cl)c1 ZINC000516463020 249233717 /nfs/dbraw/zinc/23/37/17/249233717.db2.gz CUOYRSUXKSEODA-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)c(Cl)c1 ZINC000516463020 249233718 /nfs/dbraw/zinc/23/37/18/249233718.db2.gz CUOYRSUXKSEODA-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C=C(C)CN(CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265675225 190199100 /nfs/dbraw/zinc/19/91/00/190199100.db2.gz AOIYNSWHUNQFJU-UHFFFAOYSA-N 1 2 272.352 3.073 20 30 CGEDLO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000342782077 377789614 /nfs/dbraw/zinc/78/96/14/377789614.db2.gz NUTKPZQVWJIUOQ-UHFFFAOYSA-N 1 2 282.391 3.011 20 30 CGEDLO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000342782077 377789621 /nfs/dbraw/zinc/78/96/21/377789621.db2.gz NUTKPZQVWJIUOQ-UHFFFAOYSA-N 1 2 282.391 3.011 20 30 CGEDLO Cc1c[nH+]c(CN(Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000342782077 377789627 /nfs/dbraw/zinc/78/96/27/377789627.db2.gz NUTKPZQVWJIUOQ-UHFFFAOYSA-N 1 2 282.391 3.011 20 30 CGEDLO C[N@H+](Cc1ccc(Br)s1)CC1(C#N)CC1 ZINC000258801450 377799129 /nfs/dbraw/zinc/79/91/29/377799129.db2.gz ARJJSIFZIRJQOG-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO C[N@@H+](Cc1ccc(Br)s1)CC1(C#N)CC1 ZINC000258801450 377799132 /nfs/dbraw/zinc/79/91/32/377799132.db2.gz ARJJSIFZIRJQOG-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000575326797 377879067 /nfs/dbraw/zinc/87/90/67/377879067.db2.gz GCNRTPBTCISKJK-ZDUSSCGKSA-N 1 2 255.321 3.123 20 30 CGEDLO C[C@@H](C/[NH+]=C/c1ccc(O)c(O)c1O)Cc1cccs1 ZINC000266012989 378013283 /nfs/dbraw/zinc/01/32/83/378013283.db2.gz RPHNHODZADEALA-VCBXAZPMSA-N 1 2 291.372 3.163 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C2CC2)nn1C)CC1CCCCC1 ZINC000578009449 378030519 /nfs/dbraw/zinc/03/05/19/378030519.db2.gz UJMJPTNDMFKXTF-UHFFFAOYSA-N 1 2 288.439 3.261 20 30 CGEDLO C=CC[N@H+](Cc1nc(C2CC2)nn1C)CC1CCCCC1 ZINC000578009449 378030525 /nfs/dbraw/zinc/03/05/25/378030525.db2.gz UJMJPTNDMFKXTF-UHFFFAOYSA-N 1 2 288.439 3.261 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cn2)c(F)c1 ZINC000345158584 378208444 /nfs/dbraw/zinc/20/84/44/378208444.db2.gz ZHAFORBWYZMOOR-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO C=CCCCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000579977389 378214584 /nfs/dbraw/zinc/21/45/84/378214584.db2.gz CPQBAMULUBETJQ-MRXNPFEDSA-N 1 2 288.370 3.369 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(Cl)c1 ZINC000270460603 378355202 /nfs/dbraw/zinc/35/52/02/378355202.db2.gz MDSOMIYPTAMKFR-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(Cl)c1 ZINC000270460603 378355205 /nfs/dbraw/zinc/35/52/05/378355205.db2.gz MDSOMIYPTAMKFR-UHFFFAOYSA-N 1 2 252.745 3.084 20 30 CGEDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1F ZINC000584035565 378369085 /nfs/dbraw/zinc/36/90/85/378369085.db2.gz KDHTWKSMHJOYEN-ZIBATOQPSA-N 1 2 284.338 3.250 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]c2ccccc2cc1C ZINC000584091506 378374543 /nfs/dbraw/zinc/37/45/43/378374543.db2.gz YDQRGMNPSDVULR-RDJZCZTQSA-N 1 2 282.387 3.358 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000271118153 378456252 /nfs/dbraw/zinc/45/62/52/378456252.db2.gz GFZIRRFHCRAXIJ-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000271118153 378456258 /nfs/dbraw/zinc/45/62/58/378456258.db2.gz GFZIRRFHCRAXIJ-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C=C1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000271158040 378464558 /nfs/dbraw/zinc/46/45/58/378464558.db2.gz IQXLMGOZVCOOCB-UHFFFAOYSA-N 1 2 275.783 3.379 20 30 CGEDLO CN(C)c1ccc(CNc2c(Cl)cccc2C#N)c[nH+]1 ZINC000346654526 378662527 /nfs/dbraw/zinc/66/25/27/378662527.db2.gz MINHWLJDHYSUHP-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000348356294 378924664 /nfs/dbraw/zinc/92/46/64/378924664.db2.gz MIFPSJVCUVEYFE-INIZCTEOSA-N 1 2 282.391 3.116 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000348356294 378924668 /nfs/dbraw/zinc/92/46/68/378924668.db2.gz MIFPSJVCUVEYFE-INIZCTEOSA-N 1 2 282.391 3.116 20 30 CGEDLO C=CCC[C@H](C(=O)N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000275130488 378940854 /nfs/dbraw/zinc/94/08/54/378940854.db2.gz XXFOAEGBHTWHDZ-INIZCTEOSA-N 1 2 297.402 3.129 20 30 CGEDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000348344005 378920871 /nfs/dbraw/zinc/92/08/71/378920871.db2.gz METCNIWIHGXLQG-UHFFFAOYSA-N 1 2 285.347 3.013 20 30 CGEDLO Cn1cc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000276774614 378996448 /nfs/dbraw/zinc/99/64/48/378996448.db2.gz PMTSUYKWLWGJQC-MRXNPFEDSA-N 1 2 285.778 3.497 20 30 CGEDLO Cn1cc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000276774614 378996460 /nfs/dbraw/zinc/99/64/60/378996460.db2.gz PMTSUYKWLWGJQC-MRXNPFEDSA-N 1 2 285.778 3.497 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)[nH]1 ZINC000277519887 379180032 /nfs/dbraw/zinc/18/00/32/379180032.db2.gz XINNHYKRGPQBOX-NWDGAFQWSA-N 1 2 283.379 3.041 20 30 CGEDLO N#CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000372591871 379196674 /nfs/dbraw/zinc/19/66/74/379196674.db2.gz INJTYQHIPRBNBT-OLZOCXBDSA-N 1 2 268.282 3.455 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cn1nnn(C(C)(C)C)c1=S ZINC000739884393 572425807 /nfs/dbraw/zinc/42/58/07/572425807.db2.gz HPXSHUMADDACSQ-UHFFFAOYSA-N 1 2 297.472 3.200 20 30 CGEDLO C=CCCCCC[N@H+](C)Cn1nnn(C(C)(C)C)c1=S ZINC000739884393 572425809 /nfs/dbraw/zinc/42/58/09/572425809.db2.gz HPXSHUMADDACSQ-UHFFFAOYSA-N 1 2 297.472 3.200 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000375285770 379489721 /nfs/dbraw/zinc/48/97/21/379489721.db2.gz FLAZBNINTHENSL-IRXDYDNUSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000375285770 379489723 /nfs/dbraw/zinc/48/97/23/379489723.db2.gz FLAZBNINTHENSL-IRXDYDNUSA-N 1 2 295.361 3.492 20 30 CGEDLO C=CC[C@@H](C)[C@H](C)[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280345167 379683928 /nfs/dbraw/zinc/68/39/28/379683928.db2.gz SKOXURJBLZDXBK-OCCSQVGLSA-N 1 2 290.407 3.132 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280296813 379667796 /nfs/dbraw/zinc/66/77/96/379667796.db2.gz OQNDCCAPIFEFRC-CQSZACIVSA-N 1 2 290.407 3.277 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@H](C)c2ccon2)c1 ZINC000351581216 379730141 /nfs/dbraw/zinc/73/01/41/379730141.db2.gz MZXAXRKAZPYIRZ-GFCCVEGCSA-N 1 2 258.321 3.090 20 30 CGEDLO C=C(C)CN(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640174065 379739692 /nfs/dbraw/zinc/73/96/92/379739692.db2.gz DHFRYOZEFUYJPE-UHFFFAOYSA-N 1 2 298.390 3.341 20 30 CGEDLO CCn1nccc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000352341666 379772950 /nfs/dbraw/zinc/77/29/50/379772950.db2.gz HYLRQKQUVREVHF-UHFFFAOYSA-N 1 2 288.782 3.060 20 30 CGEDLO CCn1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000352341666 379772961 /nfs/dbraw/zinc/77/29/61/379772961.db2.gz HYLRQKQUVREVHF-UHFFFAOYSA-N 1 2 288.782 3.060 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)n1 ZINC000352831116 379990084 /nfs/dbraw/zinc/99/00/84/379990084.db2.gz CATNDXFRFNMXCE-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO Cc1nsc(NCCn2c(C)[nH+]c3ccccc32)c1C#N ZINC000283475041 380065592 /nfs/dbraw/zinc/06/55/92/380065592.db2.gz GLIHSVGTSIDPSB-UHFFFAOYSA-N 1 2 297.387 3.093 20 30 CGEDLO C[C@@H](CCC#N)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000411390581 380140959 /nfs/dbraw/zinc/14/09/59/380140959.db2.gz AIOQJJZMFAZHSA-GJZGRUSLSA-N 1 2 289.398 3.197 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)C(F)F)cc1OC ZINC000641792345 380104584 /nfs/dbraw/zinc/10/45/84/380104584.db2.gz RXTCXVLMFCRMNY-JTQLQIEISA-N 1 2 271.307 3.003 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccn(CC)n1)c1ccco1 ZINC000414208669 380201538 /nfs/dbraw/zinc/20/15/38/380201538.db2.gz MDFFVDPMXYOYQR-AWEZNQCLSA-N 1 2 259.353 3.293 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354025591 380285917 /nfs/dbraw/zinc/28/59/17/380285917.db2.gz GILHKROZYINYCX-GFCCVEGCSA-N 1 2 288.439 3.379 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354025591 380285923 /nfs/dbraw/zinc/28/59/23/380285923.db2.gz GILHKROZYINYCX-GFCCVEGCSA-N 1 2 288.439 3.379 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](C(=O)OC)c1ccc(F)cc1 ZINC000419192675 380775940 /nfs/dbraw/zinc/77/59/40/380775940.db2.gz YEUQJMAFRMHSJK-AWEZNQCLSA-N 1 2 279.355 3.232 20 30 CGEDLO CC(C)[C@@H](Nc1ccc(Cl)c(C#N)n1)c1[nH]cc[nH+]1 ZINC000357562707 381211885 /nfs/dbraw/zinc/21/18/85/381211885.db2.gz ZNSXSMQOMXUQEF-GFCCVEGCSA-N 1 2 275.743 3.139 20 30 CGEDLO C=C(C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)c1ccccc1 ZINC000358741001 381325095 /nfs/dbraw/zinc/32/50/95/381325095.db2.gz DFTHHGSGIQXWQV-QGZVFWFLSA-N 1 2 290.370 3.197 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000359589686 381354412 /nfs/dbraw/zinc/35/44/12/381354412.db2.gz HQIHFPMRVDXXTK-UHFFFAOYSA-N 1 2 293.432 3.043 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000732275567 572456960 /nfs/dbraw/zinc/45/69/60/572456960.db2.gz LKWWRMLQLREMPF-GFCCVEGCSA-N 1 2 265.401 3.445 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000362277810 381927659 /nfs/dbraw/zinc/92/76/59/381927659.db2.gz LKIBJYWSXXDZPM-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362277810 381927668 /nfs/dbraw/zinc/92/76/68/381927668.db2.gz LKIBJYWSXXDZPM-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1Cl ZINC000194075799 262232811 /nfs/dbraw/zinc/23/28/11/262232811.db2.gz GSLDWOSFUBRLHI-NWDGAFQWSA-N 1 2 261.756 3.434 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CC2CC2)c(Cl)c1 ZINC000353416587 533548573 /nfs/dbraw/zinc/54/85/73/533548573.db2.gz OLZCHBSZTJTFAY-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CC2CC2)c(Cl)c1 ZINC000353416587 533548577 /nfs/dbraw/zinc/54/85/77/533548577.db2.gz OLZCHBSZTJTFAY-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352458917 299618122 /nfs/dbraw/zinc/61/81/22/299618122.db2.gz QOEZXXDOUAVERM-SNVBAGLBSA-N 1 2 268.282 3.353 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C#N)o1 ZINC000093101001 392234680 /nfs/dbraw/zinc/23/46/80/392234680.db2.gz FGTDZNSJBNHJGQ-UHFFFAOYSA-N 1 2 259.353 3.303 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C#N)o1 ZINC000093101001 392234684 /nfs/dbraw/zinc/23/46/84/392234684.db2.gz FGTDZNSJBNHJGQ-UHFFFAOYSA-N 1 2 259.353 3.303 20 30 CGEDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cs1 ZINC000361752281 392313882 /nfs/dbraw/zinc/31/38/82/392313882.db2.gz WCKCRPQJWRSWMA-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286035364 392366051 /nfs/dbraw/zinc/36/60/51/392366051.db2.gz JLNPEEAZPRAMHZ-GFCCVEGCSA-N 1 2 253.777 3.373 20 30 CGEDLO C=C(C)CCc1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000289281702 392418363 /nfs/dbraw/zinc/41/83/63/392418363.db2.gz TYPNJGMWNDIRGR-OAHLLOKOSA-N 1 2 271.364 3.229 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@@H]2CC=CCC2)CCC[C@@]12CCCCO2 ZINC000366151288 392449554 /nfs/dbraw/zinc/44/95/54/392449554.db2.gz JEWZKBASPFQLRW-IKGGRYGDSA-N 1 2 274.408 3.270 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CC=CCC2)CCC[C@@]12CCCCO2 ZINC000366151288 392449566 /nfs/dbraw/zinc/44/95/66/392449566.db2.gz JEWZKBASPFQLRW-IKGGRYGDSA-N 1 2 274.408 3.270 20 30 CGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CCC2)CC1 ZINC000367519330 392477515 /nfs/dbraw/zinc/47/75/15/392477515.db2.gz NRYPBKUACXJHFM-MRXNPFEDSA-N 1 2 298.386 3.038 20 30 CGEDLO CC(C)(C#N)CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178381291 392677041 /nfs/dbraw/zinc/67/70/41/392677041.db2.gz SQXXXQBKOVTOHT-UHFFFAOYSA-N 1 2 270.380 3.127 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178381291 392677043 /nfs/dbraw/zinc/67/70/43/392677043.db2.gz SQXXXQBKOVTOHT-UHFFFAOYSA-N 1 2 270.380 3.127 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000173545450 392627314 /nfs/dbraw/zinc/62/73/14/392627314.db2.gz NMNSNSTYSKERDF-MRXNPFEDSA-N 1 2 278.371 3.121 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000173545450 392627318 /nfs/dbraw/zinc/62/73/18/392627318.db2.gz NMNSNSTYSKERDF-MRXNPFEDSA-N 1 2 278.371 3.121 20 30 CGEDLO Cc1c(C#N)cccc1NCc1c[nH+]c2ccccn12 ZINC000181456911 392729890 /nfs/dbraw/zinc/72/98/90/392729890.db2.gz RDIAMKYTTZJKGM-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](CC2(C#N)CC2)C1 ZINC000337433251 392884718 /nfs/dbraw/zinc/88/47/18/392884718.db2.gz BFHOVUIAWSBHEL-MRXNPFEDSA-N 1 2 258.340 3.169 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000337433251 392884724 /nfs/dbraw/zinc/88/47/24/392884724.db2.gz BFHOVUIAWSBHEL-MRXNPFEDSA-N 1 2 258.340 3.169 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338380666 392913875 /nfs/dbraw/zinc/91/38/75/392913875.db2.gz MPPJZTCMZVGDCB-ZDUSSCGKSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338380666 392913883 /nfs/dbraw/zinc/91/38/83/392913883.db2.gz MPPJZTCMZVGDCB-ZDUSSCGKSA-N 1 2 258.365 3.128 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OC(C)C)C[C@@H](C)C#N ZINC000338732107 392925684 /nfs/dbraw/zinc/92/56/84/392925684.db2.gz FOHOPDDVGGPDDT-AWEZNQCLSA-N 1 2 260.381 3.455 20 30 CGEDLO CC[N@H+](Cc1ccccc1OC(C)C)C[C@@H](C)C#N ZINC000338732107 392925689 /nfs/dbraw/zinc/92/56/89/392925689.db2.gz FOHOPDDVGGPDDT-AWEZNQCLSA-N 1 2 260.381 3.455 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000342856836 393009966 /nfs/dbraw/zinc/00/99/66/393009966.db2.gz IGVLJEKMDXRFRI-LBPRGKRZSA-N 1 2 278.783 3.341 20 30 CGEDLO COc1cc[nH+]cc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000355446588 393325478 /nfs/dbraw/zinc/32/54/78/393325478.db2.gz RKFGXWXWTADIBG-AWEZNQCLSA-N 1 2 295.342 3.116 20 30 CGEDLO C=CC[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1 ZINC000649478109 393442503 /nfs/dbraw/zinc/44/25/03/393442503.db2.gz SUWKZBSDWMKZLG-UHFFFAOYSA-N 1 2 281.403 3.408 20 30 CGEDLO C=CC[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccccc1 ZINC000649478109 393442508 /nfs/dbraw/zinc/44/25/08/393442508.db2.gz SUWKZBSDWMKZLG-UHFFFAOYSA-N 1 2 281.403 3.408 20 30 CGEDLO Cc1nsc(Oc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000360996235 393633576 /nfs/dbraw/zinc/63/35/76/393633576.db2.gz RFTMBKSCMCHZTA-UHFFFAOYSA-N 1 2 282.328 3.301 20 30 CGEDLO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000453399431 394233639 /nfs/dbraw/zinc/23/36/39/394233639.db2.gz XRBFCFZILYHHGK-JTQLQIEISA-N 1 2 273.311 3.099 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668161857 542978375 /nfs/dbraw/zinc/97/83/75/542978375.db2.gz HMGZAUCVHQQYNK-AWEZNQCLSA-N 1 2 284.363 3.215 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000668167950 542979603 /nfs/dbraw/zinc/97/96/03/542979603.db2.gz INNVQGKWTWQRMN-AWEZNQCLSA-N 1 2 298.390 3.463 20 30 CGEDLO C=C(C)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676710825 543411651 /nfs/dbraw/zinc/41/16/51/543411651.db2.gz MOGGYUYNVRXASX-UHFFFAOYSA-N 1 2 272.211 3.445 20 30 CGEDLO C=C(C)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000676710825 543411654 /nfs/dbraw/zinc/41/16/54/543411654.db2.gz MOGGYUYNVRXASX-UHFFFAOYSA-N 1 2 272.211 3.445 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)n1 ZINC000080312267 165151666 /nfs/dbraw/zinc/15/16/66/165151666.db2.gz PDYFTURHYOWLCY-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO C=CC[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000679425371 543635771 /nfs/dbraw/zinc/63/57/71/543635771.db2.gz QDEIYTYLKIGGBF-QGZVFWFLSA-N 1 2 297.402 3.048 20 30 CGEDLO C=CC[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000679425371 543635776 /nfs/dbraw/zinc/63/57/76/543635776.db2.gz QDEIYTYLKIGGBF-QGZVFWFLSA-N 1 2 297.402 3.048 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000680424910 543710146 /nfs/dbraw/zinc/71/01/46/543710146.db2.gz IDHJZYNHKOIROP-CHWSQXEVSA-N 1 2 299.374 3.198 20 30 CGEDLO C=CCCC(C)(C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000665046234 419045238 /nfs/dbraw/zinc/04/52/38/419045238.db2.gz RQQSVFPNBKIWMB-GFCCVEGCSA-N 1 2 278.400 3.008 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@H](CC)c2ccccc2F)nn1 ZINC000653790438 419086364 /nfs/dbraw/zinc/08/63/64/419086364.db2.gz PVGJBHKJYLJHKW-MRXNPFEDSA-N 1 2 288.370 3.234 20 30 CGEDLO C=CCCn1cc(C[N@@H+](CC(=C)C)Cc2ccccc2)nn1 ZINC000653649967 419065132 /nfs/dbraw/zinc/06/51/32/419065132.db2.gz CNGVEDHGKYJHCX-UHFFFAOYSA-N 1 2 296.418 3.433 20 30 CGEDLO C=CCCn1cc(C[N@H+](CC(=C)C)Cc2ccccc2)nn1 ZINC000653649967 419065134 /nfs/dbraw/zinc/06/51/34/419065134.db2.gz CNGVEDHGKYJHCX-UHFFFAOYSA-N 1 2 296.418 3.433 20 30 CGEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1Br ZINC000044413512 260190082 /nfs/dbraw/zinc/19/00/82/260190082.db2.gz WREFXIHWHBAOOF-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1Br ZINC000044413512 260190083 /nfs/dbraw/zinc/19/00/83/260190083.db2.gz WREFXIHWHBAOOF-SNVBAGLBSA-N 1 2 297.196 3.049 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H](C#N)CCC#N ZINC000072590068 260277110 /nfs/dbraw/zinc/27/71/10/260277110.db2.gz UBPXBRZNCKTPOK-SNVBAGLBSA-N 1 2 267.785 3.277 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)s1)C[C@@H](C#N)CCC#N ZINC000072590068 260277111 /nfs/dbraw/zinc/27/71/11/260277111.db2.gz UBPXBRZNCKTPOK-SNVBAGLBSA-N 1 2 267.785 3.277 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(C)C)c1 ZINC000518394528 260397860 /nfs/dbraw/zinc/39/78/60/260397860.db2.gz UZEVYMPHOQAJJK-AWEZNQCLSA-N 1 2 273.380 3.030 20 30 CGEDLO COc1cccc(C(N)=[NH+]OCCCCC(F)(F)F)c1 ZINC000154417975 261091470 /nfs/dbraw/zinc/09/14/70/261091470.db2.gz JICDLKQOLUEWBS-UHFFFAOYSA-N 1 2 290.285 3.065 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1Br ZINC000309502739 261927971 /nfs/dbraw/zinc/92/79/71/261927971.db2.gz BFRNXMACSLLINL-JTQLQIEISA-N 1 2 279.181 3.403 20 30 CGEDLO COc1cccc2c(NCCCCC#N)cc[nH+]c12 ZINC000189345672 262170839 /nfs/dbraw/zinc/17/08/39/262170839.db2.gz MAOYXEHPUSFAGU-UHFFFAOYSA-N 1 2 255.321 3.349 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(SC)CC2)c1 ZINC000193256979 262218838 /nfs/dbraw/zinc/21/88/38/262218838.db2.gz IECJIZBJFNQORR-OQLLNIDSSA-N 1 2 265.378 3.105 20 30 CGEDLO N#CCCCNc1[nH+]cccc1OCc1ccccc1 ZINC000354564593 262273678 /nfs/dbraw/zinc/27/36/78/262273678.db2.gz BTLZSOPQDQDTPD-UHFFFAOYSA-N 1 2 267.332 3.376 20 30 CGEDLO CC(C)COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000271129709 262993379 /nfs/dbraw/zinc/99/33/79/262993379.db2.gz NCYIRUXFBWGYRM-CQSZACIVSA-N 1 2 260.381 3.313 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000271129709 262993380 /nfs/dbraw/zinc/99/33/80/262993380.db2.gz NCYIRUXFBWGYRM-CQSZACIVSA-N 1 2 260.381 3.313 20 30 CGEDLO O=C(CC/[NH+]=C/c1ccccc1O)OC1CCCCC1 ZINC000282571176 263077379 /nfs/dbraw/zinc/07/73/79/263077379.db2.gz KMXSZLAYOYVHTD-SFQUDFHCSA-N 1 2 275.348 3.077 20 30 CGEDLO CCCCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287066930 263100882 /nfs/dbraw/zinc/10/08/82/263100882.db2.gz ISPIGZLOYIDOBC-UHFFFAOYSA-N 1 2 265.401 3.209 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1CCC(F)(F)C1 ZINC000340279653 263104252 /nfs/dbraw/zinc/10/42/52/263104252.db2.gz IYOFWEBFJZMZPP-ZDUSSCGKSA-N 1 2 279.334 3.233 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1CCC(F)(F)C1 ZINC000340279653 263104253 /nfs/dbraw/zinc/10/42/53/263104253.db2.gz IYOFWEBFJZMZPP-ZDUSSCGKSA-N 1 2 279.334 3.233 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCc2nccs2)c1 ZINC000290642171 263118050 /nfs/dbraw/zinc/11/80/50/263118050.db2.gz VYNXWVVHWKVVRM-LFIBNONCSA-N 1 2 290.388 3.299 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000292323991 263131139 /nfs/dbraw/zinc/13/11/39/263131139.db2.gz VZRMOGZNKYCXDM-UHFFFAOYSA-N 1 2 294.402 3.391 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000292323991 263131140 /nfs/dbraw/zinc/13/11/40/263131140.db2.gz VZRMOGZNKYCXDM-UHFFFAOYSA-N 1 2 294.402 3.391 20 30 CGEDLO CCOC(=O)[C@H]([NH2+]CCCCC#N)c1cccc(C)c1C ZINC000297405153 263204255 /nfs/dbraw/zinc/20/42/55/263204255.db2.gz LSFOASXBBJYVQK-MRXNPFEDSA-N 1 2 288.391 3.191 20 30 CGEDLO COCC1(C#N)CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000341983708 263371250 /nfs/dbraw/zinc/37/12/50/263371250.db2.gz UPAGVYOLJSGPFR-GFCCVEGCSA-N 1 2 294.345 3.278 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125601242 264027070 /nfs/dbraw/zinc/02/70/70/264027070.db2.gz PJAOOXFZXUACIQ-GFCCVEGCSA-N 1 2 267.170 3.127 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125601242 264027068 /nfs/dbraw/zinc/02/70/68/264027068.db2.gz PJAOOXFZXUACIQ-GFCCVEGCSA-N 1 2 267.170 3.127 20 30 CGEDLO C=CCCO[C@H](C)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132000648 264377813 /nfs/dbraw/zinc/37/78/13/264377813.db2.gz ZFEOMWCJOUTNIU-GFCCVEGCSA-N 1 2 292.379 3.179 20 30 CGEDLO CC[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000356754872 266170478 /nfs/dbraw/zinc/17/04/78/266170478.db2.gz DSJJPUXKZICJBZ-LSDHHAIUSA-N 1 2 296.374 3.065 20 30 CGEDLO C=CCSc1ccccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000362726347 267039932 /nfs/dbraw/zinc/03/99/32/267039932.db2.gz SSSIPKBDIUBMRC-UHFFFAOYSA-N 1 2 284.384 3.342 20 30 CGEDLO CCn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367467968 267092792 /nfs/dbraw/zinc/09/27/92/267092792.db2.gz ZPRXKQWBAFPHEH-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367467968 267092794 /nfs/dbraw/zinc/09/27/94/267092794.db2.gz ZPRXKQWBAFPHEH-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO CCCn1cc(C[N@H+](CCC#N)CCC(C)C)cn1 ZINC000119169372 267305039 /nfs/dbraw/zinc/30/50/39/267305039.db2.gz USCDLHBQLLZDJB-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CCCn1cc(C[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000119169372 267305040 /nfs/dbraw/zinc/30/50/40/267305040.db2.gz USCDLHBQLLZDJB-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO C=CCCO[C@H](C)C(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371246670 267376591 /nfs/dbraw/zinc/37/65/91/267376591.db2.gz GDTVQJHWIHYMFY-CYBMUJFWSA-N 1 2 299.374 3.305 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)c(F)c1 ZINC000530470778 270200272 /nfs/dbraw/zinc/20/02/72/270200272.db2.gz IKYKZYZLFCLKCX-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO Cc1cc(N2CCC(OC(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000425235832 278707550 /nfs/dbraw/zinc/70/75/50/278707550.db2.gz JALNRVLBNUFTPR-UHFFFAOYSA-N 1 2 273.380 3.046 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000571104148 328085933 /nfs/dbraw/zinc/08/59/33/328085933.db2.gz LIUYSTVNICCSEZ-ZDUSSCGKSA-N 1 2 273.311 3.263 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCSc1ccccc1F ZINC000268275482 328183800 /nfs/dbraw/zinc/18/38/00/328183800.db2.gz DJMJSEMFRBUANH-LLVKDONJSA-N 1 2 252.358 3.152 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCSc1ccccc1F ZINC000268275482 328183802 /nfs/dbraw/zinc/18/38/02/328183802.db2.gz DJMJSEMFRBUANH-LLVKDONJSA-N 1 2 252.358 3.152 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000584121641 327044671 /nfs/dbraw/zinc/04/46/71/327044671.db2.gz SPGZIBOMIHFIME-CYBMUJFWSA-N 1 2 255.321 3.123 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000559465874 327247003 /nfs/dbraw/zinc/24/70/03/327247003.db2.gz CYBJKDNJQNGDEN-LSDHHAIUSA-N 1 2 286.419 3.482 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000559465874 327247004 /nfs/dbraw/zinc/24/70/04/327247004.db2.gz CYBJKDNJQNGDEN-LSDHHAIUSA-N 1 2 286.419 3.482 20 30 CGEDLO CC[C@@H](C#N)[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000122253340 327361749 /nfs/dbraw/zinc/36/17/49/327361749.db2.gz JGPMMPOCYWRXQL-LSDHHAIUSA-N 1 2 260.381 3.154 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694711 328661407 /nfs/dbraw/zinc/66/14/07/328661407.db2.gz XDLKNFUVYVLJJP-LURJTMIESA-N 1 2 293.617 3.413 20 30 CGEDLO COC(=O)c1oc(C[N@H+](CCC#N)CCC(C)C)cc1C ZINC000173538775 329148941 /nfs/dbraw/zinc/14/89/41/329148941.db2.gz VVDLRAPAVLXSIK-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO COC(=O)c1oc(C[N@@H+](CCC#N)CCC(C)C)cc1C ZINC000173538775 329148942 /nfs/dbraw/zinc/14/89/42/329148942.db2.gz VVDLRAPAVLXSIK-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187289068 329356278 /nfs/dbraw/zinc/35/62/78/329356278.db2.gz NLLOIOPAOFAQLG-OAHLLOKOSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187289068 329356279 /nfs/dbraw/zinc/35/62/79/329356279.db2.gz NLLOIOPAOFAQLG-OAHLLOKOSA-N 1 2 280.318 3.032 20 30 CGEDLO N#CCC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527959107 330295028 /nfs/dbraw/zinc/29/50/28/330295028.db2.gz XBTKKDJYEFQGCP-UHFFFAOYSA-N 1 2 251.333 3.365 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cccc2cccnc21)C(=O)OCC ZINC000449653789 330942080 /nfs/dbraw/zinc/94/20/80/330942080.db2.gz CSGDMENXQYLVGZ-MRXNPFEDSA-N 1 2 298.386 3.222 20 30 CGEDLO C=C(C)CC[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000459628493 331291028 /nfs/dbraw/zinc/29/10/28/331291028.db2.gz JPXJINGMLCGUQC-HNNXBMFYSA-N 1 2 261.365 3.073 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000490742414 332112370 /nfs/dbraw/zinc/11/23/70/332112370.db2.gz XIKHMGPNYUTGCB-MRXNPFEDSA-N 1 2 295.386 3.316 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C(C)C)o1)[C@@H]1CCc2ccccc21 ZINC000490742414 332112371 /nfs/dbraw/zinc/11/23/71/332112371.db2.gz XIKHMGPNYUTGCB-MRXNPFEDSA-N 1 2 295.386 3.316 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000490779664 332114963 /nfs/dbraw/zinc/11/49/63/332114963.db2.gz YQYJDHOITWSXGW-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000490779664 332114965 /nfs/dbraw/zinc/11/49/65/332114965.db2.gz YQYJDHOITWSXGW-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccccc2F)n1 ZINC000491807794 332360816 /nfs/dbraw/zinc/36/08/16/332360816.db2.gz UJDDRODRXDXESH-CQSZACIVSA-N 1 2 285.366 3.239 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccccc2F)n1 ZINC000491807794 332360818 /nfs/dbraw/zinc/36/08/18/332360818.db2.gz UJDDRODRXDXESH-CQSZACIVSA-N 1 2 285.366 3.239 20 30 CGEDLO C=CC[C@H]1N(C(=O)/C=C\c2[nH]cc[nH+]2)CCCC1(C)C ZINC000493425512 332439849 /nfs/dbraw/zinc/43/98/49/332439849.db2.gz DDVSCNBHNVNONS-MEJMFZKBSA-N 1 2 273.380 3.016 20 30 CGEDLO C=CCSCCNc1[nH+]ccc(C)c1Br ZINC000231955433 333332321 /nfs/dbraw/zinc/33/23/21/333332321.db2.gz BUCWXIVKPYLFDL-UHFFFAOYSA-N 1 2 287.226 3.484 20 30 CGEDLO C=CCCC[C@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000538291557 333583475 /nfs/dbraw/zinc/58/34/75/333583475.db2.gz VJPLXUDXARZCNA-ZDUSSCGKSA-N 1 2 282.391 3.426 20 30 CGEDLO Cc1cccn2c(CN3CCCC(C)(C)[C@H]3C#N)c[nH+]c12 ZINC000576144611 335160259 /nfs/dbraw/zinc/16/02/59/335160259.db2.gz WXLRBZPBPVCLPS-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO CCOc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OC ZINC000545219782 333970583 /nfs/dbraw/zinc/97/05/83/333970583.db2.gz PIKJTUHMYJHQDW-UHFFFAOYSA-N 1 2 297.358 3.167 20 30 CGEDLO C=CCCCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000547095469 334066234 /nfs/dbraw/zinc/06/62/34/334066234.db2.gz RAZLFOSTVORXRU-UHFFFAOYSA-N 1 2 282.347 3.125 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000134918860 334108387 /nfs/dbraw/zinc/10/83/87/334108387.db2.gz JKWYGGBLSRFOPV-OAHLLOKOSA-N 1 2 291.782 3.206 20 30 CGEDLO C=CCCO[C@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351234287 335585221 /nfs/dbraw/zinc/58/52/21/335585221.db2.gz NFVQMQUZZWZXHQ-GFCCVEGCSA-N 1 2 273.336 3.018 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccsc1Br ZINC000381675601 336070670 /nfs/dbraw/zinc/07/06/70/336070670.db2.gz XHHOPXHPLCQFLI-VIFPVBQESA-N 1 2 298.209 3.044 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000581484974 336087257 /nfs/dbraw/zinc/08/72/57/336087257.db2.gz GQLJCSYVSQEHDU-NSHDSACASA-N 1 2 298.415 3.480 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000581484974 336087258 /nfs/dbraw/zinc/08/72/58/336087258.db2.gz GQLJCSYVSQEHDU-NSHDSACASA-N 1 2 298.415 3.480 20 30 CGEDLO COC(=O)[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1C ZINC000352265057 534277484 /nfs/dbraw/zinc/27/74/84/534277484.db2.gz VIXUVHSOWBMODH-HNNXBMFYSA-N 1 2 288.391 3.129 20 30 CGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000366093833 534844991 /nfs/dbraw/zinc/84/49/91/534844991.db2.gz HJBNEPQJNSCZGT-KRWDZBQOSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000366093833 534844995 /nfs/dbraw/zinc/84/49/95/534844995.db2.gz HJBNEPQJNSCZGT-KRWDZBQOSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000183934245 525982486 /nfs/dbraw/zinc/98/24/86/525982486.db2.gz HLHVKEQDDNXLEY-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO CC#CCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346379754 526304371 /nfs/dbraw/zinc/30/43/71/526304371.db2.gz YKHKFVGDNJCBDR-UHFFFAOYSA-N 1 2 292.342 3.268 20 30 CGEDLO C=CC[N@@H+](Cc1conc1CC)Cc1ccc(OC)cc1 ZINC000350561097 526380761 /nfs/dbraw/zinc/38/07/61/526380761.db2.gz QZHDWIURBQIFNB-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO C=CC[N@H+](Cc1conc1CC)Cc1ccc(OC)cc1 ZINC000350561097 526380766 /nfs/dbraw/zinc/38/07/66/526380766.db2.gz QZHDWIURBQIFNB-UHFFFAOYSA-N 1 2 286.375 3.434 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)sc1C ZINC000081648916 526841081 /nfs/dbraw/zinc/84/10/81/526841081.db2.gz JJQNUKXUGBBUEQ-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)sc1C ZINC000081648916 526841084 /nfs/dbraw/zinc/84/10/84/526841084.db2.gz JJQNUKXUGBBUEQ-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO C=CC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000336442729 526981078 /nfs/dbraw/zinc/98/10/78/526981078.db2.gz HZBGHRPMCZWBIJ-UHFFFAOYSA-N 1 2 287.226 3.304 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000352520311 527016420 /nfs/dbraw/zinc/01/64/20/527016420.db2.gz XEJCHSARPCYAJJ-UHFFFAOYSA-N 1 2 285.391 3.214 20 30 CGEDLO C=CCCC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000356120876 527091959 /nfs/dbraw/zinc/09/19/59/527091959.db2.gz VNFCOXZUOCWCTA-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000347508892 528348222 /nfs/dbraw/zinc/34/82/22/528348222.db2.gz VDFMNVXHHBEJBD-MRXNPFEDSA-N 1 2 295.342 3.152 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356067961 528882676 /nfs/dbraw/zinc/88/26/76/528882676.db2.gz SIAPNFRBGZWMTQ-UHFFFAOYSA-N 1 2 257.362 3.037 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000356067961 528882679 /nfs/dbraw/zinc/88/26/79/528882679.db2.gz SIAPNFRBGZWMTQ-UHFFFAOYSA-N 1 2 257.362 3.037 20 30 CGEDLO CC1(C)CC[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000329085931 529013742 /nfs/dbraw/zinc/01/37/42/529013742.db2.gz UNKVOFMIPZBJOP-CYBMUJFWSA-N 1 2 290.411 3.082 20 30 CGEDLO CC1(C)CC[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000329085931 529013746 /nfs/dbraw/zinc/01/37/46/529013746.db2.gz UNKVOFMIPZBJOP-CYBMUJFWSA-N 1 2 290.411 3.082 20 30 CGEDLO CCn1cc[nH+]c1[C@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000450836383 536124600 /nfs/dbraw/zinc/12/46/00/536124600.db2.gz YSGXCDVBKIJCII-JTQLQIEISA-N 1 2 289.770 3.305 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cncc(F)c1 ZINC000737431103 572342182 /nfs/dbraw/zinc/34/21/82/572342182.db2.gz CCPZEUJWKXHYQG-UHFFFAOYSA-N 1 2 280.306 3.027 20 30 CGEDLO Cc1ccc([C@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)cc1 ZINC000737440750 572343063 /nfs/dbraw/zinc/34/30/63/572343063.db2.gz NZCYCPWEPRUDDY-BUESGFEBSA-N 1 2 298.386 3.119 20 30 CGEDLO Cc1cc2c(c(C)c1Cl)C(=O)/C(=C\c1[nH]cc[nH+]1)CO2 ZINC000731158844 572398681 /nfs/dbraw/zinc/39/86/81/572398681.db2.gz KAEHPTHWDGGKSH-POHAHGRESA-N 1 2 288.734 3.339 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cn1ncsc1=S ZINC000739884017 572425752 /nfs/dbraw/zinc/42/57/52/572425752.db2.gz FLEYJJNHTSEJLJ-UHFFFAOYSA-N 1 2 257.428 3.310 20 30 CGEDLO C=CCCCCC[N@H+](C)Cn1ncsc1=S ZINC000739884017 572425753 /nfs/dbraw/zinc/42/57/53/572425753.db2.gz FLEYJJNHTSEJLJ-UHFFFAOYSA-N 1 2 257.428 3.310 20 30 CGEDLO CC[C@@H]1CCC[C@@H](/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000740763606 572455543 /nfs/dbraw/zinc/45/55/43/572455543.db2.gz MMTGAXWWDPHWFD-ARHGCVOOSA-N 1 2 263.337 3.191 20 30 CGEDLO Oc1ccc(/C=[NH+]\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1O ZINC000741845726 572534769 /nfs/dbraw/zinc/53/47/69/572534769.db2.gz VXEDKZKFUYGDDL-OVFSHCJGSA-N 1 2 275.348 3.191 20 30 CGEDLO C=C(Br)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000741811975 572640804 /nfs/dbraw/zinc/64/08/04/572640804.db2.gz VUVXKYDDZRGSSA-LLVKDONJSA-N 1 2 266.182 3.342 20 30 CGEDLO C=C(Br)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000741811975 572640799 /nfs/dbraw/zinc/64/07/99/572640799.db2.gz VUVXKYDDZRGSSA-LLVKDONJSA-N 1 2 266.182 3.342 20 30 CGEDLO NC(=[NH+]OCc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000734484004 572658285 /nfs/dbraw/zinc/65/82/85/572658285.db2.gz QGGNWDFAFBLNOI-UHFFFAOYSA-N 1 2 284.334 3.152 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H](CC)C2CCOCC2)c(O)c1 ZINC000746393888 572869438 /nfs/dbraw/zinc/86/94/38/572869438.db2.gz LYPIEDMBNKKBHW-JIHKLPAASA-N 1 2 291.391 3.415 20 30 CGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2cc(C)nc(C)n2)cc1 ZINC000748075715 572959096 /nfs/dbraw/zinc/95/90/96/572959096.db2.gz KYRRZDFAADJURT-UHFFFAOYSA-N 1 2 297.406 3.386 20 30 CGEDLO Cc1cccc2[nH+]cc(C=C3C(=O)c4ccccc4C3=O)n21 ZINC000748994536 572987934 /nfs/dbraw/zinc/98/79/34/572987934.db2.gz NELULLUUCGMXGJ-UHFFFAOYSA-N 1 2 288.306 3.105 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000749159609 572990068 /nfs/dbraw/zinc/99/00/68/572990068.db2.gz HDJPOTMLHZEJEA-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000749159609 572990069 /nfs/dbraw/zinc/99/00/69/572990069.db2.gz HDJPOTMLHZEJEA-GFCCVEGCSA-N 1 2 287.338 3.200 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000957470553 613315357 /nfs/dbraw/zinc/31/53/57/613315357.db2.gz XJTZSISCVQOQCI-UHFFFAOYSA-N 1 2 290.451 3.067 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969555558 613371931 /nfs/dbraw/zinc/37/19/31/613371931.db2.gz SCSHICHWZAKQEC-ZDUSSCGKSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000981845284 613373644 /nfs/dbraw/zinc/37/36/44/613373644.db2.gz OIHOCQXTLRFULD-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000981845284 613373645 /nfs/dbraw/zinc/37/36/45/613373645.db2.gz OIHOCQXTLRFULD-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989233 613377467 /nfs/dbraw/zinc/37/74/67/613377467.db2.gz AFKYOIJMTOOLNN-FZMZJTMJSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989233 613377468 /nfs/dbraw/zinc/37/74/68/613377468.db2.gz AFKYOIJMTOOLNN-FZMZJTMJSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974546032 613380993 /nfs/dbraw/zinc/38/09/93/613380993.db2.gz JTXITVNVPQOMNG-ZDUSSCGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974546032 613380994 /nfs/dbraw/zinc/38/09/94/613380994.db2.gz JTXITVNVPQOMNG-ZDUSSCGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccccc2C(C)C)C1 ZINC000950470211 613657820 /nfs/dbraw/zinc/65/78/20/613657820.db2.gz XHDHRHJAJAZTAH-UHFFFAOYSA-N 1 2 286.419 3.142 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000949480324 613706825 /nfs/dbraw/zinc/70/68/25/613706825.db2.gz YGERRROATQIPJB-UHFFFAOYSA-N 1 2 292.467 3.169 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@H]2CCCSC2)c1 ZINC000806551121 617654984 /nfs/dbraw/zinc/65/49/84/617654984.db2.gz IQPNPDNPAPVAMO-YUSFRKCESA-N 1 2 279.405 3.353 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC2(F)CCC2)c(O)c1 ZINC000806551483 617655667 /nfs/dbraw/zinc/65/56/67/617655667.db2.gz TZJZZVQZYADKQO-BOPFTXTBSA-N 1 2 265.328 3.492 20 30 CGEDLO C#CC[C@H](Cc1ccccc1)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000804808986 617847945 /nfs/dbraw/zinc/84/79/45/617847945.db2.gz ZARFBTYOTVYONR-OAHLLOKOSA-N 1 2 290.370 3.313 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000890890076 617892259 /nfs/dbraw/zinc/89/22/59/617892259.db2.gz ILXMMDCRBIEMBT-AWEZNQCLSA-N 1 2 281.359 3.117 20 30 CGEDLO COc1c(C)c[nH+]c(C/N=C/c2ccccc2O)c1C ZINC000050234221 618081421 /nfs/dbraw/zinc/08/14/21/618081421.db2.gz KVVVHZFQGCPFTL-RQZCQDPDSA-N 1 2 270.332 3.032 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000847020981 618168917 /nfs/dbraw/zinc/16/89/17/618168917.db2.gz HCLQWICLBZKVQW-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000847020981 618168921 /nfs/dbraw/zinc/16/89/21/618168921.db2.gz HCLQWICLBZKVQW-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO COC1CCC(C[N@H+](CCC#N)Cc2cccnc2)CC1 ZINC000891458409 618226375 /nfs/dbraw/zinc/22/63/75/618226375.db2.gz VKDWFYNSLZKNBP-UHFFFAOYSA-N 1 2 287.407 3.002 20 30 CGEDLO COC1CCC(C[N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC000891458409 618226377 /nfs/dbraw/zinc/22/63/77/618226377.db2.gz VKDWFYNSLZKNBP-UHFFFAOYSA-N 1 2 287.407 3.002 20 30 CGEDLO COC1CCC(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000891465691 618227540 /nfs/dbraw/zinc/22/75/40/618227540.db2.gz UGNCDZGCZMPUFR-UHFFFAOYSA-N 1 2 276.380 3.200 20 30 CGEDLO COC1CCC(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000891465691 618227542 /nfs/dbraw/zinc/22/75/42/618227542.db2.gz UGNCDZGCZMPUFR-UHFFFAOYSA-N 1 2 276.380 3.200 20 30 CGEDLO CCc1cc(NCc2ccc(OCC#N)cc2)nc(CC)[nH+]1 ZINC000892301729 618663587 /nfs/dbraw/zinc/66/35/87/618663587.db2.gz CEUKIZZADWYFOC-UHFFFAOYSA-N 1 2 296.374 3.116 20 30 CGEDLO Cc1cccc(C)c1CC/[NH+]=C\c1ccc(O)c(O)c1O ZINC000255548897 618666044 /nfs/dbraw/zinc/66/60/44/618666044.db2.gz WHXXITZKKKTBNS-ZDLGFXPLSA-N 1 2 285.343 3.082 20 30 CGEDLO COc1cccc(/C=[NH+]\CCCOC2CCCC2)c1O ZINC000255728379 618782054 /nfs/dbraw/zinc/78/20/54/618782054.db2.gz BNZYSGHYKINDSN-ATVHPVEESA-N 1 2 277.364 3.169 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCCOC2CCCC2)c1 ZINC000255777662 618792054 /nfs/dbraw/zinc/79/20/54/618792054.db2.gz UIDSDLCNXBFUPK-ATVHPVEESA-N 1 2 277.364 3.169 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(C#N)c1O ZINC000926695653 618827074 /nfs/dbraw/zinc/82/70/74/618827074.db2.gz GBQWEJZRDPUNCP-ZFWWWQNUSA-N 1 2 286.375 3.016 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008409053 619092494 /nfs/dbraw/zinc/09/24/94/619092494.db2.gz DAGXUTPYTNJINE-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008409053 619092495 /nfs/dbraw/zinc/09/24/95/619092495.db2.gz DAGXUTPYTNJINE-OAHLLOKOSA-N 1 2 296.842 3.066 20 30 CGEDLO C#CC[C@@H]([NH2+][C@@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000925636790 619100021 /nfs/dbraw/zinc/10/00/21/619100021.db2.gz FKXIDHZONIWFPG-GOEBONIOSA-N 1 2 282.391 3.274 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000840938654 619227840 /nfs/dbraw/zinc/22/78/40/619227840.db2.gz FEZADDGSLQNJJW-HNNXBMFYSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000840938654 619227841 /nfs/dbraw/zinc/22/78/41/619227841.db2.gz FEZADDGSLQNJJW-HNNXBMFYSA-N 1 2 278.783 3.480 20 30 CGEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000178940919 619702020 /nfs/dbraw/zinc/70/20/20/619702020.db2.gz NBFNPUPNENLXGW-CMDGGOBGSA-N 1 2 293.282 3.139 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2ccccc2c1 ZINC000066215838 619739374 /nfs/dbraw/zinc/73/93/74/619739374.db2.gz VQAOAZVKJCTFIW-UHFFFAOYSA-N 1 2 280.371 3.452 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000895451575 619831616 /nfs/dbraw/zinc/83/16/16/619831616.db2.gz ZALRHZJAMRDWFI-QGZVFWFLSA-N 1 2 269.392 3.004 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000895451575 619831617 /nfs/dbraw/zinc/83/16/17/619831617.db2.gz ZALRHZJAMRDWFI-QGZVFWFLSA-N 1 2 269.392 3.004 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OCC ZINC000895597217 619858241 /nfs/dbraw/zinc/85/82/41/619858241.db2.gz FZLHHHDDFOOMQZ-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896503602 620018359 /nfs/dbraw/zinc/01/83/59/620018359.db2.gz LRIANKXQYBXVPH-XETPBLJFSA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C#N)C1 ZINC000896503602 620018362 /nfs/dbraw/zinc/01/83/62/620018362.db2.gz LRIANKXQYBXVPH-XETPBLJFSA-N 1 2 285.347 3.234 20 30 CGEDLO Cc1ccc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc2n1 ZINC000896506983 620019635 /nfs/dbraw/zinc/01/96/35/620019635.db2.gz XDPXKRGTMARALU-OAHLLOKOSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc2n1 ZINC000896506983 620019638 /nfs/dbraw/zinc/01/96/38/620019638.db2.gz XDPXKRGTMARALU-OAHLLOKOSA-N 1 2 265.360 3.279 20 30 CGEDLO CCCc1cc(N2CCO[C@@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000896857053 620078021 /nfs/dbraw/zinc/07/80/21/620078021.db2.gz MVSRWMLAHWFXRO-SFHVURJKSA-N 1 2 295.386 3.306 20 30 CGEDLO CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897592247 620405404 /nfs/dbraw/zinc/40/54/04/620405404.db2.gz SSVRVKJAWMBDJT-SFHVURJKSA-N 1 2 296.370 3.287 20 30 CGEDLO CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897592247 620405406 /nfs/dbraw/zinc/40/54/06/620405406.db2.gz SSVRVKJAWMBDJT-SFHVURJKSA-N 1 2 296.370 3.287 20 30 CGEDLO CC1(C)CC[C@@H](CC/[NH+]=C/c2cccc(O)c2O)OC1 ZINC000899230235 620628244 /nfs/dbraw/zinc/62/82/44/620628244.db2.gz FUMDYWPWTULEJP-VZWMTCDZSA-N 1 2 277.364 3.112 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc2c(c1)COC2 ZINC000901477034 620891810 /nfs/dbraw/zinc/89/18/10/620891810.db2.gz JNEWCOOBRGRMIT-WAYWQWQTSA-N 1 2 282.343 3.390 20 30 CGEDLO Cc1[nH]c(/C=C2\COc3c(C)cc(C)cc3C2=O)[nH+]c1C ZINC000901463292 620894431 /nfs/dbraw/zinc/89/44/31/620894431.db2.gz MQGNAZCWZJPZKA-NTUHNPAUSA-N 1 2 282.343 3.302 20 30 CGEDLO COc1ccsc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901490947 620898751 /nfs/dbraw/zinc/89/87/51/620898751.db2.gz QOBJEPVFCJYGCG-SNAWJCMRSA-N 1 2 276.361 3.430 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1c[nH+]cn1C(C)C ZINC000901489728 620898946 /nfs/dbraw/zinc/89/89/46/620898946.db2.gz PYWAKRKUNVALJE-AATRIKPKSA-N 1 2 269.348 3.318 20 30 CGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1cccc(C2CC2)c1 ZINC000901513141 620922503 /nfs/dbraw/zinc/92/25/03/620922503.db2.gz MOMMTIWWLUYIQU-FPLPWBNLSA-N 1 2 252.317 3.194 20 30 CGEDLO Cc1[nH]c(/C=C2\Cc3cccc(C)c3C2=O)[nH+]c1C ZINC000901516277 620923157 /nfs/dbraw/zinc/92/31/57/620923157.db2.gz DOSNKTPLANQDGD-MDWZMJQESA-N 1 2 252.317 3.157 20 30 CGEDLO C=C(C)COc1cc(CNc2cc[nH+]c(C)n2)ccc1OC ZINC000902124734 621163693 /nfs/dbraw/zinc/16/36/93/621163693.db2.gz JFUHASHFBIIGST-UHFFFAOYSA-N 1 2 299.374 3.361 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)c1cc(C#N)ccn1 ZINC000903027057 621544257 /nfs/dbraw/zinc/54/42/57/621544257.db2.gz ZMKOLKWLZGDTLV-AFAVFJNCSA-N 1 2 281.334 3.241 20 30 CGEDLO CC[C@H]([NH2+]C/C=C\Cl)c1cccc(C#N)c1O ZINC000903443773 621755439 /nfs/dbraw/zinc/75/54/39/621755439.db2.gz KUJWAGHMIMDLOE-KMSCOEIWSA-N 1 2 250.729 3.057 20 30 CGEDLO CO[C@@H](C#N)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904849867 622007725 /nfs/dbraw/zinc/00/77/25/622007725.db2.gz PVVKYQDQHDXPQC-HNNXBMFYSA-N 1 2 267.332 3.026 20 30 CGEDLO C=CC(C)(C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912974951 622717295 /nfs/dbraw/zinc/71/72/95/622717295.db2.gz ZPCGPFDLAXMCHS-UHFFFAOYSA-N 1 2 260.381 3.339 20 30 CGEDLO CSC(C)(C)CC[N@H+](CCC#N)Cc1cccnc1 ZINC000876527594 622754229 /nfs/dbraw/zinc/75/42/29/622754229.db2.gz BMJFYMUYNPMXMI-UHFFFAOYSA-N 1 2 277.437 3.329 20 30 CGEDLO CSC(C)(C)CC[N@@H+](CCC#N)Cc1cccnc1 ZINC000876527594 622754232 /nfs/dbraw/zinc/75/42/32/622754232.db2.gz BMJFYMUYNPMXMI-UHFFFAOYSA-N 1 2 277.437 3.329 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1ccccc1C ZINC000052439911 622888720 /nfs/dbraw/zinc/88/87/20/622888720.db2.gz IZDCAHJOAJAEFO-UHFFFAOYSA-N 1 2 254.171 3.335 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1ccccc1C ZINC000052439911 622888722 /nfs/dbraw/zinc/88/87/22/622888722.db2.gz IZDCAHJOAJAEFO-UHFFFAOYSA-N 1 2 254.171 3.335 20 30 CGEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1ccc(N)nc1 ZINC000814901685 623018937 /nfs/dbraw/zinc/01/89/37/623018937.db2.gz VCHJZUHFODTHQR-UHFFFAOYSA-N 1 2 285.738 3.025 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929800768 623692987 /nfs/dbraw/zinc/69/29/87/623692987.db2.gz WPCAIODKVMGVRA-YOWGUQMCSA-N 1 2 291.345 3.089 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929800768 623692993 /nfs/dbraw/zinc/69/29/93/623692993.db2.gz WPCAIODKVMGVRA-YOWGUQMCSA-N 1 2 291.345 3.089 20 30 CGEDLO C[C@H](C/[NH+]=C\c1ccccc1O)N1CCc2ccccc21 ZINC000914701517 623847589 /nfs/dbraw/zinc/84/75/89/623847589.db2.gz JOYFQFMLNWHBRF-RMENWYJGSA-N 1 2 280.371 3.262 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993343437 624033005 /nfs/dbraw/zinc/03/30/05/624033005.db2.gz KDWSTJREJYHLKH-UKRRQHHQSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993343437 624033010 /nfs/dbraw/zinc/03/30/10/624033010.db2.gz KDWSTJREJYHLKH-UKRRQHHQSA-N 1 2 296.842 3.208 20 30 CGEDLO C#CC[C@@H](OC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000835200896 634393288 /nfs/dbraw/zinc/39/32/88/634393288.db2.gz QDGDAFBIHIQCFV-QGZVFWFLSA-N 1 2 296.370 3.136 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070733601 625030729 /nfs/dbraw/zinc/03/07/29/625030729.db2.gz WBQQJKFJMAWDML-QMMMGPOBSA-N 1 2 261.188 3.011 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](CC)c1nccs1 ZINC000070732894 625031178 /nfs/dbraw/zinc/03/11/78/625031178.db2.gz SVZCJDUQBUPKSG-QMMMGPOBSA-N 1 2 261.188 3.092 20 30 CGEDLO N#CC1(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000183846283 625149682 /nfs/dbraw/zinc/14/96/82/625149682.db2.gz JLVBUGXCMPHROY-UHFFFAOYSA-N 1 2 295.342 3.113 20 30 CGEDLO C=CCCC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000921643471 625766717 /nfs/dbraw/zinc/76/67/17/625766717.db2.gz DANHMHPHWYLLNB-MRXNPFEDSA-N 1 2 283.375 3.097 20 30 CGEDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000922052454 625966697 /nfs/dbraw/zinc/96/66/97/625966697.db2.gz CHLNTAFGZKEAOD-ZJUUUORDSA-N 1 2 289.408 3.102 20 30 CGEDLO Cc1[nH+]cc(CN=Nc2ccccn2)n1-c1ccccc1 ZINC000755520206 626628225 /nfs/dbraw/zinc/62/82/25/626628225.db2.gz TZJQNQOBCMKSDR-UHFFFAOYSA-N 1 2 277.331 3.022 20 30 CGEDLO Cc1[nH]c[nH+]c1CN=Nc1c(Cl)cccc1Cl ZINC000755772998 626645946 /nfs/dbraw/zinc/64/59/46/626645946.db2.gz MCLZZIHCGQRSAS-UHFFFAOYSA-N 1 2 269.135 3.471 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC(CC)(CC)C2)c1=S ZINC000755929406 626662201 /nfs/dbraw/zinc/66/22/01/626662201.db2.gz CJHTVDJXTJEGCF-UHFFFAOYSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC(CC)(CC)C2)c1=S ZINC000755929406 626662206 /nfs/dbraw/zinc/66/22/06/626662206.db2.gz CJHTVDJXTJEGCF-UHFFFAOYSA-N 1 2 294.468 3.378 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763960370 627187547 /nfs/dbraw/zinc/18/75/47/627187547.db2.gz NKGPZFTTYVARER-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000763960370 627187549 /nfs/dbraw/zinc/18/75/49/627187549.db2.gz NKGPZFTTYVARER-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1 ZINC000764171640 627197961 /nfs/dbraw/zinc/19/79/61/627197961.db2.gz NCGWXOQVRRDTQD-OAHLLOKOSA-N 1 2 288.354 3.389 20 30 CGEDLO COc1cccc2cc(C[N@H+](C)C[C@@H](C)C#N)oc21 ZINC000768875983 627505397 /nfs/dbraw/zinc/50/53/97/627505397.db2.gz BFFVNAAVAOAMSR-NSHDSACASA-N 1 2 258.321 3.033 20 30 CGEDLO COc1cccc2cc(C[N@@H+](C)C[C@@H](C)C#N)oc21 ZINC000768875983 627505398 /nfs/dbraw/zinc/50/53/98/627505398.db2.gz BFFVNAAVAOAMSR-NSHDSACASA-N 1 2 258.321 3.033 20 30 CGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000769566549 627566828 /nfs/dbraw/zinc/56/68/28/627566828.db2.gz JCWQQPOQSUBZKR-UHFFFAOYSA-N 1 2 298.346 3.497 20 30 CGEDLO Fc1cc(N[NH+]=C2CCCNc3ccccc32)ccn1 ZINC000774408630 627986016 /nfs/dbraw/zinc/98/60/16/627986016.db2.gz FGDIOZSDCFTDPY-UHFFFAOYSA-N 1 2 270.311 3.243 20 30 CGEDLO CCCC1CCC(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000775701278 628127597 /nfs/dbraw/zinc/12/75/97/628127597.db2.gz JIUBHDZZGMIAHN-LEOMRAHMSA-N 1 2 289.467 3.265 20 30 CGEDLO CCCC1CCC(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000775701278 628127601 /nfs/dbraw/zinc/12/76/01/628127601.db2.gz JIUBHDZZGMIAHN-LEOMRAHMSA-N 1 2 289.467 3.265 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000776011249 628157566 /nfs/dbraw/zinc/15/75/66/628157566.db2.gz FBFJYSVHHXTVNV-LBPRGKRZSA-N 1 2 290.411 3.322 20 30 CGEDLO N#CCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000781926504 628605772 /nfs/dbraw/zinc/60/57/72/628605772.db2.gz GBLJZEGNHGUPEN-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO COc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783857109 628751542 /nfs/dbraw/zinc/75/15/42/628751542.db2.gz SJVBFVGRJJMSFM-UHFFFAOYSA-N 1 2 298.371 3.388 20 30 CGEDLO N#CCc1ccc(CO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000784050489 628772417 /nfs/dbraw/zinc/77/24/17/628772417.db2.gz XYEHRTHMVJQCOB-UHFFFAOYSA-N 1 2 299.761 3.243 20 30 CGEDLO CC(=NNc1[nH+]ccn1C)c1cccc(OC(F)(F)F)c1 ZINC000790299691 629201112 /nfs/dbraw/zinc/20/11/12/629201112.db2.gz IVGKOKHPTOYFPM-UHFFFAOYSA-N 1 2 298.268 3.155 20 30 CGEDLO NC(=[NH+]OCCCC1CCOCC1)c1ccc(Cl)cc1 ZINC000790434105 629211027 /nfs/dbraw/zinc/21/10/27/629211027.db2.gz YIUQLIRGKDPJBF-UHFFFAOYSA-N 1 2 296.798 3.184 20 30 CGEDLO C=C[C@H](CC(=O)OCc1cc[nH+]c(N)c1)c1ccccc1 ZINC000792066958 629335021 /nfs/dbraw/zinc/33/50/21/629335021.db2.gz CZMDNLNSNDYVND-CQSZACIVSA-N 1 2 282.343 3.067 20 30 CGEDLO C#C[C@@H](NCc1[nH]c(C)c(C)[nH+]1)c1ccc(Cl)cc1F ZINC000862365007 629353424 /nfs/dbraw/zinc/35/34/24/629353424.db2.gz JWWBZTVWWWMPBW-CQSZACIVSA-N 1 2 291.757 3.283 20 30 CGEDLO CCC(=[NH+]NCC(F)(F)C(F)(F)F)c1cccc(N)c1 ZINC000863182911 629490420 /nfs/dbraw/zinc/49/04/20/629490420.db2.gz DIZZBVFWAZQZAV-UHFFFAOYSA-N 1 2 295.255 3.170 20 30 CGEDLO CCc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)o1 ZINC000794702782 629568778 /nfs/dbraw/zinc/56/87/78/629568778.db2.gz SIGRTSMCWYIYHX-SOFGYWHQSA-N 1 2 290.388 3.256 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C\c1ccc(OCC)cc1O ZINC000797784926 629981577 /nfs/dbraw/zinc/98/15/77/629981577.db2.gz ODISNTRJADEPAS-HSKMPOBNSA-N 1 2 289.375 3.191 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000801646637 630349360 /nfs/dbraw/zinc/34/93/60/630349360.db2.gz UUBVRWMJDDFLIB-PWONOCEESA-N 1 2 291.391 3.413 20 30 CGEDLO CC[C@](C)(C#N)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000802805709 630414406 /nfs/dbraw/zinc/41/44/06/630414406.db2.gz AVJOLJKDSZKZPI-QGZVFWFLSA-N 1 2 297.358 3.164 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@@H]2CCCSC2)c1 ZINC000806551119 630565795 /nfs/dbraw/zinc/56/57/95/630565795.db2.gz IQPNPDNPAPVAMO-KPENOIPVSA-N 1 2 279.405 3.353 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000809565981 630750795 /nfs/dbraw/zinc/75/07/95/630750795.db2.gz CNSXCIITQILHFM-LJQANCHMSA-N 1 2 295.357 3.381 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000809565981 630750798 /nfs/dbraw/zinc/75/07/98/630750798.db2.gz CNSXCIITQILHFM-LJQANCHMSA-N 1 2 295.357 3.381 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000809718592 630791864 /nfs/dbraw/zinc/79/18/64/630791864.db2.gz WSSGSSFKDSTQJD-UHFFFAOYSA-N 1 2 281.403 3.274 20 30 CGEDLO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccccc1 ZINC000809718592 630791882 /nfs/dbraw/zinc/79/18/82/630791882.db2.gz WSSGSSFKDSTQJD-UHFFFAOYSA-N 1 2 281.403 3.274 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(F)nc1)c1ccc(Cl)cc1 ZINC000811516160 631081274 /nfs/dbraw/zinc/08/12/74/631081274.db2.gz FZDFDIQUDWKVIF-AWEZNQCLSA-N 1 2 274.726 3.338 20 30 CGEDLO CC(=[NH+]Nc1cccc(Cl)c1)c1ccc(N)nc1 ZINC000814693479 631625480 /nfs/dbraw/zinc/62/54/80/631625480.db2.gz SCEYFMHAMRKEBK-UHFFFAOYSA-N 1 2 260.728 3.153 20 30 CGEDLO COc1cccc(/C=N/Cc2cc(C)[nH+]c(C)c2)c1O ZINC000817706894 632202398 /nfs/dbraw/zinc/20/23/98/632202398.db2.gz GCNUSUKTQLIRIR-LICLKQGHSA-N 1 2 270.332 3.032 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(C#N)c1O ZINC000866218410 633033103 /nfs/dbraw/zinc/03/31/03/633033103.db2.gz OIHRDPDBYPWKLQ-ZDUSSCGKSA-N 1 2 295.386 3.181 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000823063977 633053924 /nfs/dbraw/zinc/05/39/24/633053924.db2.gz XFEHBSCQHKIMQW-CYBMUJFWSA-N 1 2 265.401 3.065 20 30 CGEDLO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1cccc(C#N)c1O ZINC000866283725 633064335 /nfs/dbraw/zinc/06/43/35/633064335.db2.gz ACDZGYMSQZTLFT-XHDPSFHLSA-N 1 2 276.405 3.200 20 30 CGEDLO COCCc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866356702 633098505 /nfs/dbraw/zinc/09/85/05/633098505.db2.gz FUDUCDSGXUJCMY-LBPRGKRZSA-N 1 2 297.358 3.021 20 30 CGEDLO CC1(C#N)CCC([NH2+]c2ccc(N3CCOCC3)cc2)CC1 ZINC000823495592 633113714 /nfs/dbraw/zinc/11/37/14/633113714.db2.gz ROQBOVLPVGHECM-UHFFFAOYSA-N 1 2 299.418 3.408 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc(C#N)c1O ZINC000866388965 633116966 /nfs/dbraw/zinc/11/69/66/633116966.db2.gz BTLWCQDCKXXSME-APPDUMDISA-N 1 2 294.354 3.308 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000826861809 633438371 /nfs/dbraw/zinc/43/83/71/633438371.db2.gz KBEPGRDUEBNOLI-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000829804538 633789621 /nfs/dbraw/zinc/78/96/21/633789621.db2.gz ITUGIYUWZLMPAM-AWEZNQCLSA-N 1 2 287.407 3.353 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000829804538 633789633 /nfs/dbraw/zinc/78/96/33/633789633.db2.gz ITUGIYUWZLMPAM-AWEZNQCLSA-N 1 2 287.407 3.353 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000829814835 633795204 /nfs/dbraw/zinc/79/52/04/633795204.db2.gz AIHWNEWGGLUZND-SNVBAGLBSA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000829814835 633795209 /nfs/dbraw/zinc/79/52/09/633795209.db2.gz AIHWNEWGGLUZND-SNVBAGLBSA-N 1 2 254.786 3.032 20 30 CGEDLO CC1(C)CCc2onc(C[NH2+]Cc3cccc(C#N)c3)c2C1 ZINC000873174948 634271323 /nfs/dbraw/zinc/27/13/23/634271323.db2.gz BSBGKYNTAZFTEY-UHFFFAOYSA-N 1 2 295.386 3.351 20 30 CGEDLO Cc1ccc(F)c(N[NH+]=C2CCCc3nc(N)ccc32)c1 ZINC000834962706 634295191 /nfs/dbraw/zinc/29/51/91/634295191.db2.gz YUMKKCZPYNKGJY-UHFFFAOYSA-N 1 2 284.338 3.264 20 30 CGEDLO CCc1ccc(N[NH+]=Cc2cnc(N(C)C)s2)cc1 ZINC000835010554 634314966 /nfs/dbraw/zinc/31/49/66/634314966.db2.gz DSBFHBRHAGPJDD-UHFFFAOYSA-N 1 2 274.393 3.218 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835028333 634325521 /nfs/dbraw/zinc/32/55/21/634325521.db2.gz MHIAWWZLKCTEMX-XVWMLYKFSA-N 1 2 283.419 3.390 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835028333 634325524 /nfs/dbraw/zinc/32/55/24/634325524.db2.gz MHIAWWZLKCTEMX-XVWMLYKFSA-N 1 2 283.419 3.390 20 30 CGEDLO COc1c(C)c[nH+]c(CNc2cccc(OCC#N)c2)c1C ZINC000877169012 635006200 /nfs/dbraw/zinc/00/62/00/635006200.db2.gz CQIOBVFTQDSJRP-UHFFFAOYSA-N 1 2 297.358 3.222 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCOC(C)(C)C2)c1 ZINC000840710136 635038883 /nfs/dbraw/zinc/03/88/83/635038883.db2.gz PABQVAMWPRZZPE-HTMJNSLASA-N 1 2 291.391 3.415 20 30 CGEDLO COc1c(C)c[nH+]c(CNc2cc(F)cc(C#N)c2)c1C ZINC000877667541 635139759 /nfs/dbraw/zinc/13/97/59/635139759.db2.gz OWAUDAPZWWDJQX-UHFFFAOYSA-N 1 2 285.322 3.330 20 30 CGEDLO Cc1cccc2c1C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)C2 ZINC000841488341 635186644 /nfs/dbraw/zinc/18/66/44/635186644.db2.gz NBCRGJGLNYMHFK-JYRVWZFOSA-N 1 2 298.411 3.336 20 30 CGEDLO COC(=O)c1c(F)cccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841636796 635205481 /nfs/dbraw/zinc/20/54/81/635205481.db2.gz NKORINQJGIDSIF-MRVPVSSYSA-N 1 2 286.253 3.055 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(C(C)(C)C)oc2=S)C1 ZINC000842629548 635420963 /nfs/dbraw/zinc/42/09/63/635420963.db2.gz PIGXZFNDWWLCSG-LBPRGKRZSA-N 1 2 293.436 3.196 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(C(C)(C)C)oc2=S)C1 ZINC000842629548 635420975 /nfs/dbraw/zinc/42/09/75/635420975.db2.gz PIGXZFNDWWLCSG-LBPRGKRZSA-N 1 2 293.436 3.196 20 30 CGEDLO C=CCCC[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000878797822 635631517 /nfs/dbraw/zinc/63/15/17/635631517.db2.gz GLLZNZPSOCHHLK-INIZCTEOSA-N 1 2 297.402 3.209 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1[N+](=O)[O-] ZINC000879310973 635751751 /nfs/dbraw/zinc/75/17/51/635751751.db2.gz ZZJADKKHZCNNBH-KBPBESRZSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1[N+](=O)[O-] ZINC000879310973 635751753 /nfs/dbraw/zinc/75/17/53/635751753.db2.gz ZZJADKKHZCNNBH-KBPBESRZSA-N 1 2 273.336 3.027 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC000879311892 635753245 /nfs/dbraw/zinc/75/32/45/635753245.db2.gz YBVLWYBEWBDJQL-AAEUAGOBSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C#N ZINC000879311892 635753251 /nfs/dbraw/zinc/75/32/51/635753251.db2.gz YBVLWYBEWBDJQL-AAEUAGOBSA-N 1 2 293.754 3.372 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc2ccccc2c1 ZINC000846992911 636302577 /nfs/dbraw/zinc/30/25/77/636302577.db2.gz MITPJPCAPUKCKI-HNNXBMFYSA-N 1 2 281.359 3.060 20 30 CGEDLO C#CCCC[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000847863605 636474995 /nfs/dbraw/zinc/47/49/95/636474995.db2.gz ANJCRHWMABDLSG-CQSZACIVSA-N 1 2 282.343 3.221 20 30 CGEDLO CCC(=NNCCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000848419481 636572604 /nfs/dbraw/zinc/57/26/04/636572604.db2.gz VJWSCUCGXOMHRC-UHFFFAOYSA-N 1 2 290.798 3.331 20 30 CGEDLO C[C@H]1CCC(=NNCCCn2cc[nH+]c2)c2ccccc21 ZINC000848418259 636572784 /nfs/dbraw/zinc/57/27/84/636572784.db2.gz KLTYIWWQKYMEIF-AWEZNQCLSA-N 1 2 282.391 3.164 20 30 CGEDLO CCn1c[nH+]cc1CNc1ccc(C2CC2)c(C#N)c1 ZINC000883338624 636684782 /nfs/dbraw/zinc/68/47/82/636684782.db2.gz FLQDRPOERDIKOM-UHFFFAOYSA-N 1 2 266.348 3.264 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)o1 ZINC000133177881 636880158 /nfs/dbraw/zinc/88/01/58/636880158.db2.gz TVHVWXREZPEQEU-VOTSOKGWSA-N 1 2 252.273 3.132 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(C#N)s3)n2c1 ZINC000134502044 637025517 /nfs/dbraw/zinc/02/55/17/637025517.db2.gz VJAPOBABVPWPDN-HWKANZROSA-N 1 2 293.351 3.472 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000134987606 637060684 /nfs/dbraw/zinc/06/06/84/637060684.db2.gz OBZKEFQZQPPRFK-KRWDZBQOSA-N 1 2 283.375 3.091 20 30 CGEDLO COCC[N@H+](CC=C(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000851739174 637486233 /nfs/dbraw/zinc/48/62/33/637486233.db2.gz DYFVXCPWPJMXFW-UHFFFAOYSA-N 1 2 299.201 3.326 20 30 CGEDLO COCC[N@@H+](CC=C(Cl)Cl)Cc1ccc(C#N)cc1 ZINC000851739174 637486237 /nfs/dbraw/zinc/48/62/37/637486237.db2.gz DYFVXCPWPJMXFW-UHFFFAOYSA-N 1 2 299.201 3.326 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000852097393 637591146 /nfs/dbraw/zinc/59/11/46/637591146.db2.gz PWTORDXJZOMSCG-OAHLLOKOSA-N 1 2 289.766 3.282 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000852101670 637595774 /nfs/dbraw/zinc/59/57/74/637595774.db2.gz GHPMKYZFXPCPEK-SUMWQHHRSA-N 1 2 283.375 3.113 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000852102771 637597951 /nfs/dbraw/zinc/59/79/51/637597951.db2.gz PMSNFNAPJQSUFP-YVEFUNNKSA-N 1 2 299.374 3.198 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000853465589 637849937 /nfs/dbraw/zinc/84/99/37/637849937.db2.gz JBFOECPQPKUMIK-QDMKHBRRSA-N 1 2 288.391 3.242 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC1C[C@H](C)O[C@@H](C)C1 ZINC000853465588 637850249 /nfs/dbraw/zinc/85/02/49/637850249.db2.gz JBFOECPQPKUMIK-KBPBESRZSA-N 1 2 288.391 3.242 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCO[C@@H](C)C1 ZINC000853467141 637850338 /nfs/dbraw/zinc/85/03/38/637850338.db2.gz CTDCYLHVIUMOMW-LSDHHAIUSA-N 1 2 288.391 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1c(C)onc1CC ZINC000853647615 637881500 /nfs/dbraw/zinc/88/15/00/637881500.db2.gz BIULLPBYRNGBDY-UHFFFAOYSA-N 1 2 299.374 3.345 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@@H](C)O1 ZINC000853849369 637941364 /nfs/dbraw/zinc/94/13/64/637941364.db2.gz KLBYWNUFOOAMDJ-HUUCEWRRSA-N 1 2 288.391 3.243 20 30 CGEDLO CC[C@@H]([NH2+]Cc1csc(C)n1)c1cccc(C#N)c1O ZINC000924721488 638394509 /nfs/dbraw/zinc/39/45/09/638394509.db2.gz GQCMKWVDYFXTBP-CQSZACIVSA-N 1 2 287.388 3.270 20 30 CGEDLO CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925043904 638441387 /nfs/dbraw/zinc/44/13/87/638441387.db2.gz DYZFBKSAFJJJOP-ISTRZQFTSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc(C#N)c1O ZINC000925087016 638449958 /nfs/dbraw/zinc/44/99/58/638449958.db2.gz AZPZZNVBRWWZDM-HIFRSBDPSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](C)SC)c1cccc(C#N)c1O ZINC000925600562 638541279 /nfs/dbraw/zinc/54/12/79/638541279.db2.gz HKRDICXDVYRYGB-MFKMUULPSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@H](CC(C)(C)C#N)Nc1cc(CSCCO)cc[nH+]1 ZINC000925960385 638665429 /nfs/dbraw/zinc/66/54/29/638665429.db2.gz QEVGWEAQSTWJOB-GFCCVEGCSA-N 1 2 293.436 3.047 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927089469 638840074 /nfs/dbraw/zinc/84/00/74/638840074.db2.gz BCLGFGNJSUNJHP-UHFFFAOYSA-N 1 2 299.418 3.253 20 30 CGEDLO Cc1cc(F)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(F)c1 ZINC000927091639 638840327 /nfs/dbraw/zinc/84/03/27/638840327.db2.gz BOFKVFONMNUHKD-LLVKDONJSA-N 1 2 287.313 3.391 20 30 CGEDLO Cc1cn(C(C)(C)C(=O)Nc2ccc(CCC#N)cc2)c[nH+]1 ZINC000928399545 638880352 /nfs/dbraw/zinc/88/03/52/638880352.db2.gz RAVWCHOCIJLLEM-UHFFFAOYSA-N 1 2 296.374 3.022 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC1CC1 ZINC000929775496 638949691 /nfs/dbraw/zinc/94/96/91/638949691.db2.gz MJJNSBUFZWEYSE-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CC1 ZINC000929775496 638949692 /nfs/dbraw/zinc/94/96/92/638949692.db2.gz MJJNSBUFZWEYSE-UHFFFAOYSA-N 1 2 273.767 3.337 20 30 CGEDLO CC(C)[C@H]1C[N@H+](C)CCN1CCCCC1(C#N)CCC1 ZINC000930573713 639028866 /nfs/dbraw/zinc/02/88/66/639028866.db2.gz AIWVCFBQTBWFFU-MRXNPFEDSA-N 1 2 277.456 3.123 20 30 CGEDLO CC(C)[C@H]1C[N@@H+](C)CCN1CCCCC1(C#N)CCC1 ZINC000930573713 639028868 /nfs/dbraw/zinc/02/88/68/639028868.db2.gz AIWVCFBQTBWFFU-MRXNPFEDSA-N 1 2 277.456 3.123 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC000860106310 639282443 /nfs/dbraw/zinc/28/24/43/639282443.db2.gz DWSZKUNRYPZHOM-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccnc(Cl)c1)C2 ZINC000860106310 639282449 /nfs/dbraw/zinc/28/24/49/639282449.db2.gz DWSZKUNRYPZHOM-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO C[C@H](c1cccnc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625459 639470418 /nfs/dbraw/zinc/47/04/18/639470418.db2.gz SZHQZGUHHXRSNR-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1cccnc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625459 639470421 /nfs/dbraw/zinc/47/04/21/639470421.db2.gz SZHQZGUHHXRSNR-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3ccsc3)CCO2)cc1 ZINC000933631068 639472235 /nfs/dbraw/zinc/47/22/35/639472235.db2.gz ZHITXUXODDGRKY-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)cc1 ZINC000933631068 639472240 /nfs/dbraw/zinc/47/22/40/639472240.db2.gz ZHITXUXODDGRKY-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000934465953 639613941 /nfs/dbraw/zinc/61/39/41/639613941.db2.gz HYMZCHCALFPACB-NSHDSACASA-N 1 2 295.342 3.232 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000934465953 639613947 /nfs/dbraw/zinc/61/39/47/639613947.db2.gz HYMZCHCALFPACB-NSHDSACASA-N 1 2 295.342 3.232 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764533 640986476 /nfs/dbraw/zinc/98/64/76/640986476.db2.gz ZVQHWADCZMEORK-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764533 640986479 /nfs/dbraw/zinc/98/64/79/640986479.db2.gz ZVQHWADCZMEORK-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(C)CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001155661720 805601219 /nfs/dbraw/zinc/60/12/19/805601219.db2.gz FRDKEVVTVBRDGI-UHFFFAOYSA-N 1 2 256.284 3.238 20 30 CGEDLO C=C(C)CNc1cc([C@@H](CC(=O)OC)C2CC2)cc[nH+]1 ZINC001155660805 805601527 /nfs/dbraw/zinc/60/15/27/805601527.db2.gz MVUCOXHFXRFPFG-AWEZNQCLSA-N 1 2 274.364 3.126 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NC[C@@H]3CCCCO3)c2c1 ZINC001156373275 805678588 /nfs/dbraw/zinc/67/85/88/805678588.db2.gz WAPWIALAIYAMJU-AWEZNQCLSA-N 1 2 267.332 3.087 20 30 CGEDLO C[C@H](Nc1cc(N)cc(Cl)[nH+]1)c1cccc(C#N)c1 ZINC001156871658 805742617 /nfs/dbraw/zinc/74/26/17/805742617.db2.gz LXENIBQJYHMRKU-VIFPVBQESA-N 1 2 272.739 3.362 20 30 CGEDLO COC(=O)c1cccc([C@@H](C)Nc2cc(CC#N)cc[nH+]2)c1 ZINC001159959347 806205980 /nfs/dbraw/zinc/20/59/80/806205980.db2.gz RCERWVFJWRDTJQ-GFCCVEGCSA-N 1 2 295.342 3.107 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N(C)C)nc[nH+]1 ZINC001160178091 806232704 /nfs/dbraw/zinc/23/27/04/806232704.db2.gz BTYVBNOOXLKJAM-ZDUSSCGKSA-N 1 2 298.390 3.281 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N(C)C)[nH+]cn1 ZINC001160178091 806232712 /nfs/dbraw/zinc/23/27/12/806232712.db2.gz BTYVBNOOXLKJAM-ZDUSSCGKSA-N 1 2 298.390 3.281 20 30 CGEDLO C=C1CCC(F)=CC1=Nc1cc(-n2cc[nH+]c2)ccn1 ZINC001160720626 806299001 /nfs/dbraw/zinc/29/90/01/806299001.db2.gz QYJNQMWNJJXJGN-UHFFFAOYSA-N 1 2 268.295 3.376 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC001254386357 806390075 /nfs/dbraw/zinc/39/00/75/806390075.db2.gz OPDLQSBMVVGOMF-HNNXBMFYSA-N 1 2 278.783 3.235 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC001254386357 806390085 /nfs/dbraw/zinc/39/00/85/806390085.db2.gz OPDLQSBMVVGOMF-HNNXBMFYSA-N 1 2 278.783 3.235 20 30 CGEDLO N#C[C@H]1CC[C@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001254652865 806475659 /nfs/dbraw/zinc/47/56/59/806475659.db2.gz HVXJUGTZDZSTRM-YJBOKZPZSA-N 1 2 292.386 3.171 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001255154875 806555331 /nfs/dbraw/zinc/55/53/31/806555331.db2.gz LXBGMTPEGLBSKJ-CHWSQXEVSA-N 1 2 286.297 3.021 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001255157257 806558855 /nfs/dbraw/zinc/55/88/55/806558855.db2.gz ZICIWZUBJQSPBI-VIFPVBQESA-N 1 2 258.699 3.400 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1COc2cc(Cl)ccc21 ZINC001255162670 806561444 /nfs/dbraw/zinc/56/14/44/806561444.db2.gz WESLNYGWPIIZRW-ZYHUDNBSSA-N 1 2 250.729 3.055 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166220 806563819 /nfs/dbraw/zinc/56/38/19/806563819.db2.gz HPAHISLLJBMAET-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166220 806563825 /nfs/dbraw/zinc/56/38/25/806563825.db2.gz HPAHISLLJBMAET-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001255298578 806598694 /nfs/dbraw/zinc/59/86/94/806598694.db2.gz DPGRIMATOXJACD-MLGOLLRUSA-N 1 2 265.397 3.053 20 30 CGEDLO COC1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001255445307 806640070 /nfs/dbraw/zinc/64/00/70/806640070.db2.gz AROCXLCEQSSGIY-UHFFFAOYSA-N 1 2 250.386 3.150 20 30 CGEDLO COc1ccc[nH+]c1NC1CC(C#N)(c2ccccc2)C1 ZINC001255467147 806646865 /nfs/dbraw/zinc/64/68/65/806646865.db2.gz PRRLCHVZTSKFJR-UHFFFAOYSA-N 1 2 279.343 3.126 20 30 CGEDLO C=CCO[C@@H]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)C1 ZINC001255565304 806675095 /nfs/dbraw/zinc/67/50/95/806675095.db2.gz WKRIUYGYZYFMFK-CQSZACIVSA-N 1 2 298.386 3.333 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1c(C)nn(C)c1C ZINC001162878139 806678771 /nfs/dbraw/zinc/67/87/71/806678771.db2.gz BWFFSJXXQHMSSD-UHFFFAOYSA-N 1 2 270.380 3.081 20 30 CGEDLO Oc1ccccc1/C=N/Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000124903925 798999325 /nfs/dbraw/zinc/99/93/25/798999325.db2.gz QSCUEPGKBYAWPY-XDHOZWIPSA-N 1 2 277.327 3.197 20 30 CGEDLO C#CCCC1(CCNc2[nH+]cc(SC)cc2C)N=N1 ZINC001163381467 806756117 /nfs/dbraw/zinc/75/61/17/806756117.db2.gz ZSERDMPPFRPRCE-UHFFFAOYSA-N 1 2 274.393 3.489 20 30 CGEDLO N#CCC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000425972755 799603575 /nfs/dbraw/zinc/60/35/75/799603575.db2.gz BYQYSBBNIAHJGW-UHFFFAOYSA-N 1 2 262.662 3.362 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)C ZINC000702237320 799905007 /nfs/dbraw/zinc/90/50/07/799905007.db2.gz ZAGGGLHABOFLLW-GFCCVEGCSA-N 1 2 251.757 3.183 20 30 CGEDLO Oc1ccc(/C=[NH+]/CC[C@@H]2CCc3ccccc32)c(O)c1O ZINC000840707136 800498294 /nfs/dbraw/zinc/49/82/94/800498294.db2.gz NQYJVRDKCXVQRH-MDBUFAAASA-N 1 2 297.354 3.342 20 30 CGEDLO C#C[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C)cc1 ZINC000860962379 800525357 /nfs/dbraw/zinc/52/53/57/800525357.db2.gz PHZIGSHMJDMHDE-ZBFHGGJFSA-N 1 2 282.343 3.060 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001029420025 800868084 /nfs/dbraw/zinc/86/80/84/800868084.db2.gz QCARSTFZDWPSNG-SJOWAIJRSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001029420025 800868091 /nfs/dbraw/zinc/86/80/91/800868091.db2.gz QCARSTFZDWPSNG-SJOWAIJRSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001032213872 800921376 /nfs/dbraw/zinc/92/13/76/800921376.db2.gz HLQOOHYWFRHBQC-AWEZNQCLSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032893077 800943500 /nfs/dbraw/zinc/94/35/00/800943500.db2.gz MYLMBQVLTYMNED-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032893077 800943505 /nfs/dbraw/zinc/94/35/05/800943505.db2.gz MYLMBQVLTYMNED-HNNXBMFYSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949085 800990587 /nfs/dbraw/zinc/99/05/87/800990587.db2.gz CJSTYZWOHWLNRE-RBSFLKMASA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949085 800990592 /nfs/dbraw/zinc/99/05/92/800990592.db2.gz CJSTYZWOHWLNRE-RBSFLKMASA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001044059177 801227286 /nfs/dbraw/zinc/22/72/86/801227286.db2.gz LVHFCOGNNBDPSK-HUUCEWRRSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088774102 801806839 /nfs/dbraw/zinc/80/68/39/801806839.db2.gz WHOATABFVHGTDS-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088774102 801806847 /nfs/dbraw/zinc/80/68/47/801806847.db2.gz WHOATABFVHGTDS-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001109451568 802117086 /nfs/dbraw/zinc/11/70/86/802117086.db2.gz SLJWIFHVKBCROH-CRWXNKLISA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001109451568 802117089 /nfs/dbraw/zinc/11/70/89/802117089.db2.gz SLJWIFHVKBCROH-CRWXNKLISA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCC1)C2 ZINC001110433015 802142636 /nfs/dbraw/zinc/14/26/36/802142636.db2.gz CKXWZDXWDGJVDK-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCC1)C2 ZINC001110433015 802142640 /nfs/dbraw/zinc/14/26/40/802142640.db2.gz CKXWZDXWDGJVDK-KFWWJZLASA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCCC)C2 ZINC001110506372 802144379 /nfs/dbraw/zinc/14/43/79/802144379.db2.gz PAIOBFYXSLMWFP-NGFQHRJXSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCCC)C2 ZINC001110506372 802144386 /nfs/dbraw/zinc/14/43/86/802144386.db2.gz PAIOBFYXSLMWFP-NGFQHRJXSA-N 1 2 298.858 3.287 20 30 CGEDLO COc1cc2[nH+]ccn2cc1C1=CC[C@@H](C#N)CC1 ZINC001243792777 803011725 /nfs/dbraw/zinc/01/17/25/803011725.db2.gz LRGOULRPOGFHQY-LLVKDONJSA-N 1 2 253.305 3.050 20 30 CGEDLO N#C[C@@H]1CC=C(c2cc[nH+]c(N3CCCC3)c2)CC1 ZINC001243798823 803016890 /nfs/dbraw/zinc/01/68/90/803016890.db2.gz QKKNYFBWPDKSAX-CYBMUJFWSA-N 1 2 253.349 3.389 20 30 CGEDLO N#CC1(c2cccc(-c3nc4[nH]ccc4c[nH+]3)c2)CC1 ZINC001244073368 803171365 /nfs/dbraw/zinc/17/13/65/803171365.db2.gz YLSFRSWDMZVOEM-UHFFFAOYSA-N 1 2 260.300 3.132 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787076 803344596 /nfs/dbraw/zinc/34/45/96/803344596.db2.gz FJPNYCMUQJDQCB-ZIAGYGMSSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787076 803344601 /nfs/dbraw/zinc/34/46/01/803344601.db2.gz FJPNYCMUQJDQCB-ZIAGYGMSSA-N 1 2 286.847 3.144 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(C#N)c1 ZINC001137698115 803759393 /nfs/dbraw/zinc/75/93/93/803759393.db2.gz KRLDMJXYHNQMTR-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(C#N)c1 ZINC001137698115 803759400 /nfs/dbraw/zinc/75/94/00/803759400.db2.gz KRLDMJXYHNQMTR-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1 ZINC001137703891 803760415 /nfs/dbraw/zinc/76/04/15/803760415.db2.gz YAOLZLYDIJJLLO-ZDUSSCGKSA-N 1 2 298.308 3.341 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(C#N)c1 ZINC001137703891 803760419 /nfs/dbraw/zinc/76/04/19/803760419.db2.gz YAOLZLYDIJJLLO-ZDUSSCGKSA-N 1 2 298.308 3.341 20 30 CGEDLO Cc1cc(C[N@H+](C)CCC#N)c(C)n1-c1ccccc1 ZINC001137854471 803786114 /nfs/dbraw/zinc/78/61/14/803786114.db2.gz YBWOGXVISGXQNP-UHFFFAOYSA-N 1 2 267.376 3.440 20 30 CGEDLO Cc1cc(C[N@@H+](C)CCC#N)c(C)n1-c1ccccc1 ZINC001137854471 803786123 /nfs/dbraw/zinc/78/61/23/803786123.db2.gz YBWOGXVISGXQNP-UHFFFAOYSA-N 1 2 267.376 3.440 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138180122 803872069 /nfs/dbraw/zinc/87/20/69/803872069.db2.gz UUYGLZIUZRMEOK-INIZCTEOSA-N 1 2 273.380 3.005 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138180122 803872077 /nfs/dbraw/zinc/87/20/77/803872077.db2.gz UUYGLZIUZRMEOK-INIZCTEOSA-N 1 2 273.380 3.005 20 30 CGEDLO C[N@H+](CCC#N)Cc1c[nH]c2ccc(Br)cc12 ZINC001138315511 803894746 /nfs/dbraw/zinc/89/47/46/803894746.db2.gz JTAOYIGBEXBLSR-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO C[N@@H+](CCC#N)Cc1c[nH]c2ccc(Br)cc12 ZINC001138315511 803894755 /nfs/dbraw/zinc/89/47/55/803894755.db2.gz JTAOYIGBEXBLSR-UHFFFAOYSA-N 1 2 292.180 3.276 20 30 CGEDLO C(#Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1)c1ccccc1 ZINC001138336477 803897962 /nfs/dbraw/zinc/89/79/62/803897962.db2.gz SWSRVFIUWANJFG-VQTJNVASSA-N 1 2 289.378 3.060 20 30 CGEDLO C(#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1)c1ccccc1 ZINC001138336477 803897970 /nfs/dbraw/zinc/89/79/70/803897970.db2.gz SWSRVFIUWANJFG-VQTJNVASSA-N 1 2 289.378 3.060 20 30 CGEDLO CCCn1ncc(C[N@H+](CCC#N)C2CCCC2)c1C ZINC001138638222 803991248 /nfs/dbraw/zinc/99/12/48/803991248.db2.gz LAGMXDOHJUDZMS-UHFFFAOYSA-N 1 2 274.412 3.260 20 30 CGEDLO CCCn1ncc(C[N@@H+](CCC#N)C2CCCC2)c1C ZINC001138638222 803991257 /nfs/dbraw/zinc/99/12/57/803991257.db2.gz LAGMXDOHJUDZMS-UHFFFAOYSA-N 1 2 274.412 3.260 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(F)cc1C#N ZINC001242584917 823045253 /nfs/dbraw/zinc/04/52/53/823045253.db2.gz CRKZNBXBAJKCRN-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139398591 804187017 /nfs/dbraw/zinc/18/70/17/804187017.db2.gz BIBAYUVWGUJSIQ-UHFFFAOYSA-N 1 2 299.374 3.080 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139398591 804187021 /nfs/dbraw/zinc/18/70/21/804187021.db2.gz BIBAYUVWGUJSIQ-UHFFFAOYSA-N 1 2 299.374 3.080 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139691400 804255674 /nfs/dbraw/zinc/25/56/74/804255674.db2.gz WWAVJLYCNRKUTD-COPLHBTASA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139691400 804255678 /nfs/dbraw/zinc/25/56/78/804255678.db2.gz WWAVJLYCNRKUTD-COPLHBTASA-N 1 2 264.731 3.144 20 30 CGEDLO C#Cc1cc(Nc2cccc(OC(C)C)c2F)cc[nH+]1 ZINC001212318285 815004911 /nfs/dbraw/zinc/00/49/11/815004911.db2.gz SDOWNJFKNBYFMX-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(O)cc(F)cc1F ZINC001140585971 804468582 /nfs/dbraw/zinc/46/85/82/804468582.db2.gz XUUNMXMXYHCKAC-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)cc(F)cc1F ZINC001140585971 804468586 /nfs/dbraw/zinc/46/85/86/804468586.db2.gz XUUNMXMXYHCKAC-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C=CC(C)(C)CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001140660885 804485434 /nfs/dbraw/zinc/48/54/34/804485434.db2.gz JATKJVBONYESBJ-UHFFFAOYSA-N 1 2 295.386 3.189 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc2cccc(O)c2n1 ZINC001141023351 804573358 /nfs/dbraw/zinc/57/33/58/804573358.db2.gz JXGRNNXNRUDQPW-UHFFFAOYSA-N 1 2 269.348 3.066 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc2cccc(O)c2n1 ZINC001141023351 804573361 /nfs/dbraw/zinc/57/33/61/804573361.db2.gz JXGRNNXNRUDQPW-UHFFFAOYSA-N 1 2 269.348 3.066 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Br)ccc1C#N ZINC001141903144 804678065 /nfs/dbraw/zinc/67/80/65/804678065.db2.gz SHOPPWKYMDVTEQ-UHFFFAOYSA-N 1 2 291.192 3.495 20 30 CGEDLO CCCCOC1C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921122 804784817 /nfs/dbraw/zinc/78/48/17/804784817.db2.gz HPVMLBYPLCNOLI-UHFFFAOYSA-N 1 2 283.375 3.040 20 30 CGEDLO C=CCCCNC(=S)Nc1cccn2c(C)c(C)[nH+]c12 ZINC001247714783 804802814 /nfs/dbraw/zinc/80/28/14/804802814.db2.gz QYQDDKSNWSMTDO-UHFFFAOYSA-N 1 2 288.420 3.204 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001143561556 804865667 /nfs/dbraw/zinc/86/56/67/804865667.db2.gz UPSUOKYDTLUREU-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143561556 804865671 /nfs/dbraw/zinc/86/56/71/804865671.db2.gz UPSUOKYDTLUREU-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001144573362 805008795 /nfs/dbraw/zinc/00/87/95/805008795.db2.gz HGSQLUJOEKAMLJ-KRWDZBQOSA-N 1 2 299.414 3.364 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001144573362 805008806 /nfs/dbraw/zinc/00/88/06/805008806.db2.gz HGSQLUJOEKAMLJ-KRWDZBQOSA-N 1 2 299.414 3.364 20 30 CGEDLO C#Cc1cc(Nc2cc3c(cccc3Cl)[nH]2)cc[nH+]1 ZINC001249859308 805264759 /nfs/dbraw/zinc/26/47/59/805264759.db2.gz IGLXXKJQHFWBJN-UHFFFAOYSA-N 1 2 267.719 3.363 20 30 CGEDLO Cc1c[nH+]c(NC[C@@H]2CCC(F)(F)C2)c(/C=N/O)c1 ZINC001155174572 805550355 /nfs/dbraw/zinc/55/03/55/805550355.db2.gz WECVACOISRISPK-NCMFSIOGSA-N 1 2 269.295 3.045 20 30 CGEDLO CCCCCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OC(C)(C)C ZINC001258041731 807272136 /nfs/dbraw/zinc/27/21/36/807272136.db2.gz ZPWAFCATMWJMMP-KGLIPLIRSA-N 1 2 287.444 3.028 20 30 CGEDLO CCCCCCC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001258044545 807273778 /nfs/dbraw/zinc/27/37/78/807273778.db2.gz QHIQMQOMJMCZOA-IHRRRGAJSA-N 1 2 273.392 3.321 20 30 CGEDLO CCCCCCC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001258044545 807273783 /nfs/dbraw/zinc/27/37/83/807273783.db2.gz QHIQMQOMJMCZOA-IHRRRGAJSA-N 1 2 273.392 3.321 20 30 CGEDLO CCCCCCCCC[C@@H](C)[NH2+][C@@H](CO)C(=O)OCC ZINC001258227579 807377464 /nfs/dbraw/zinc/37/74/64/807377464.db2.gz DYDJVTXLEFRMNV-CABCVRRESA-N 1 2 287.444 3.029 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](CCCC)Cc1ccccc1)C(=O)OC ZINC001258706613 807561984 /nfs/dbraw/zinc/56/19/84/807561984.db2.gz UDPKRPFCJXFUIW-IAGOWNOFSA-N 1 2 289.419 3.495 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC001258721774 807570156 /nfs/dbraw/zinc/57/01/56/807570156.db2.gz FQLMFDSKTHQKMG-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO N#CCc1ccc[nH+]c1N[C@H]1CCCC(F)(F)C1 ZINC001169212193 807603548 /nfs/dbraw/zinc/60/35/48/807603548.db2.gz JMQNXCKMILNXFF-NSHDSACASA-N 1 2 251.280 3.137 20 30 CGEDLO C#C[C@](C)(CC)Nc1cc2ccc(OC)cc2c[nH+]1 ZINC001169691862 807688604 /nfs/dbraw/zinc/68/86/04/807688604.db2.gz GXXXKPLVESTEQP-MRXNPFEDSA-N 1 2 254.333 3.457 20 30 CGEDLO C=CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001262099811 807821923 /nfs/dbraw/zinc/82/19/23/807821923.db2.gz YMVSGQUYYYAASF-UHFFFAOYSA-N 1 2 271.364 3.069 20 30 CGEDLO CC(C)n1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cn1 ZINC001171183933 808001801 /nfs/dbraw/zinc/00/18/01/808001801.db2.gz BTYBNEZUGVGJOK-UHFFFAOYSA-N 1 2 294.358 3.360 20 30 CGEDLO CC[NH+](CC)c1ccc(Nc2oncc2C#N)cc1 ZINC001212969316 815192101 /nfs/dbraw/zinc/19/21/01/815192101.db2.gz ZHSXYWLZLJPRIZ-UHFFFAOYSA-N 1 2 256.309 3.136 20 30 CGEDLO CCCCCCCC[C@H](CC)[NH2+][C@@H](CO)C(=O)OCC ZINC001172504724 808360176 /nfs/dbraw/zinc/36/01/76/808360176.db2.gz IIZMXHZRZVHKBA-GJZGRUSLSA-N 1 2 287.444 3.029 20 30 CGEDLO CCCCCC[C@H](CCCC)N1CC[NH2+]C[C@H]1C#N ZINC001172511904 808367749 /nfs/dbraw/zinc/36/77/49/808367749.db2.gz ASAHBWVUGSLIRX-JKSUJKDBSA-N 1 2 265.445 3.313 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C1CCC(Oc2ccccc2)CC1 ZINC001173205132 808537386 /nfs/dbraw/zinc/53/73/86/808537386.db2.gz DCDCMBDMHCJPOR-VQCLRJIVSA-N 1 2 258.365 3.220 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C1CCC(Oc2ccccc2)CC1 ZINC001173205132 808537393 /nfs/dbraw/zinc/53/73/93/808537393.db2.gz DCDCMBDMHCJPOR-VQCLRJIVSA-N 1 2 258.365 3.220 20 30 CGEDLO C=CCOC1CCC([N@@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001173321861 808611145 /nfs/dbraw/zinc/61/11/45/808611145.db2.gz QUOJNVRCDXHGKT-IYXRBSQSSA-N 1 2 291.357 3.427 20 30 CGEDLO C=CCOC1CCC([N@H+]2CC[C@H](CF)C(F)(F)C2)CC1 ZINC001173321861 808611148 /nfs/dbraw/zinc/61/11/48/808611148.db2.gz QUOJNVRCDXHGKT-IYXRBSQSSA-N 1 2 291.357 3.427 20 30 CGEDLO CC1(C#N)CCC([NH2+]CC(F)(F)C(F)(F)F)CC1 ZINC001173584733 808646516 /nfs/dbraw/zinc/64/65/16/808646516.db2.gz JERGHVFYMRAJLI-UHFFFAOYSA-N 1 2 270.245 3.246 20 30 CGEDLO CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H](C#N)CC(C)C)CC2 ZINC001173603441 808652228 /nfs/dbraw/zinc/65/22/28/808652228.db2.gz FGOMYEXLKLCFLI-GYMHETDLSA-N 1 2 292.423 3.026 20 30 CGEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC001213085967 815228726 /nfs/dbraw/zinc/22/87/26/815228726.db2.gz AYINEAMAUIYQND-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO Cc1cnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C#N)c1 ZINC001213087200 815230370 /nfs/dbraw/zinc/23/03/70/815230370.db2.gz LPOKXEGVDOWWIR-UHFFFAOYSA-N 1 2 275.315 3.395 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001282830491 809265254 /nfs/dbraw/zinc/26/52/54/809265254.db2.gz AOXPXPVDBBADOE-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001282830491 809265258 /nfs/dbraw/zinc/26/52/58/809265258.db2.gz AOXPXPVDBBADOE-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C#Cc1cc(Nc2c(C)cc(OCC)cc2C)cc[nH+]1 ZINC001175171955 809296958 /nfs/dbraw/zinc/29/69/58/809296958.db2.gz RMOTVTZUDJSWNX-UHFFFAOYSA-N 1 2 266.344 3.244 20 30 CGEDLO Cc1nc(C#N)c(Nc2cc(C3CC3)c[nH+]c2C)o1 ZINC001213495247 815289840 /nfs/dbraw/zinc/28/98/40/815289840.db2.gz YAJWIWQLCVEBJK-UHFFFAOYSA-N 1 2 254.293 3.179 20 30 CGEDLO Cc1cc(C)c(Nc2c(C#N)cnn2C(C)(C)C)c[nH+]1 ZINC001213503368 815292734 /nfs/dbraw/zinc/29/27/34/815292734.db2.gz BHDVNEIKEOTFQF-UHFFFAOYSA-N 1 2 269.352 3.265 20 30 CGEDLO N#Cc1ccc(O)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175717908 809519072 /nfs/dbraw/zinc/51/90/72/809519072.db2.gz WYFFUZJQOBRVIF-UHFFFAOYSA-N 1 2 294.236 3.003 20 30 CGEDLO COc1ccc(Nc2c[nH+]cc(C)c2C)c(C#N)c1 ZINC001213530651 815300331 /nfs/dbraw/zinc/30/03/31/815300331.db2.gz JHSXOZXDYKDPDD-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1ccc(C#N)cc1Nc1c[nH+]cc(C)c1C ZINC001213532544 815301847 /nfs/dbraw/zinc/30/18/47/815301847.db2.gz NLERJXSQZFBKIG-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1c[nH+]cc(Nc2cc(C#N)c(F)cc2O)c1C ZINC001213534282 815303251 /nfs/dbraw/zinc/30/32/51/815303251.db2.gz VHNZZPCIFYITIY-UHFFFAOYSA-N 1 2 257.268 3.158 20 30 CGEDLO Cc1[nH]c([C@@H]2CCCN2Cc2cccc(C#N)c2F)[nH+]c1C ZINC001176078429 809616963 /nfs/dbraw/zinc/61/69/63/809616963.db2.gz QXVHBNPWZRHCPS-HNNXBMFYSA-N 1 2 298.365 3.374 20 30 CGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(OCC2CC2)c1 ZINC001176493482 809708324 /nfs/dbraw/zinc/70/83/24/809708324.db2.gz LMWIFIYOUIVPLP-UHFFFAOYSA-N 1 2 297.358 3.115 20 30 CGEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)s1 ZINC001176748963 809756280 /nfs/dbraw/zinc/75/62/80/809756280.db2.gz LLKYLJIIOLLPMV-UHFFFAOYSA-N 1 2 270.361 3.359 20 30 CGEDLO C=CC(C)(C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC001180271479 809986632 /nfs/dbraw/zinc/98/66/32/809986632.db2.gz RRRKSORFVNBESJ-UHFFFAOYSA-N 1 2 294.826 3.243 20 30 CGEDLO C=CC(C)(C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC001180271479 809986634 /nfs/dbraw/zinc/98/66/34/809986634.db2.gz RRRKSORFVNBESJ-UHFFFAOYSA-N 1 2 294.826 3.243 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)CCc1ccco1)C(=O)OCC ZINC001181829204 810075513 /nfs/dbraw/zinc/07/55/13/810075513.db2.gz XTDPUKHEPCHESL-DZGCQCFKSA-N 1 2 279.380 3.088 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)CCc1ccco1)C(=O)OCC ZINC001181829208 810075770 /nfs/dbraw/zinc/07/57/70/810075770.db2.gz XTDPUKHEPCHESL-ZFWWWQNUSA-N 1 2 279.380 3.088 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc2cccnc2o1)c1ccc(F)cc1 ZINC001182020911 810089987 /nfs/dbraw/zinc/08/99/87/810089987.db2.gz PMJIRAYSDHNMQA-MRXNPFEDSA-N 1 2 280.302 3.431 20 30 CGEDLO C#Cc1cc(Nc2ccc(C)c(OC(C)C)c2)cc[nH+]1 ZINC001214330205 815396440 /nfs/dbraw/zinc/39/64/40/815396440.db2.gz WMGWSPSZTQWQER-UHFFFAOYSA-N 1 2 266.344 3.324 20 30 CGEDLO C#Cc1cc(NC2=CC[C@@H](C(F)(F)F)CC2)cc[nH+]1 ZINC001195833947 811295153 /nfs/dbraw/zinc/29/51/53/811295153.db2.gz JJUTWAAUKXFRHY-SNVBAGLBSA-N 1 2 266.266 3.143 20 30 CGEDLO CC(C)(C#N)c1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201285200 811807353 /nfs/dbraw/zinc/80/73/53/811807353.db2.gz CKDRLTIAJRNZKY-UHFFFAOYSA-N 1 2 252.321 3.209 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC)c(OC(C)C)c2)cc[nH+]1 ZINC001203013139 812218583 /nfs/dbraw/zinc/21/85/83/812218583.db2.gz LNOCXTHFABQGMH-UHFFFAOYSA-N 1 2 282.343 3.024 20 30 CGEDLO COC(=O)c1cc(C#N)ccc1Nc1ccc(C)[nH+]c1C ZINC001203376898 812331137 /nfs/dbraw/zinc/33/11/37/812331137.db2.gz VZZLKSQEERMHEM-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO CNc1ccc(Nc2c(Cl)cccc2C#N)c[nH+]1 ZINC001203456722 812364383 /nfs/dbraw/zinc/36/43/83/812364383.db2.gz SPSYDDYKZRSJNB-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO Cc1ccc(C)c(C[NH+]2CC(Oc3ccccc3C#N)C2)c1 ZINC001203752699 812455491 /nfs/dbraw/zinc/45/54/91/812455491.db2.gz QSZUXPCEXWOIIU-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001203900007 812486390 /nfs/dbraw/zinc/48/63/90/812486390.db2.gz LYJBNCLNFPBRIY-ZDUSSCGKSA-N 1 2 268.282 3.127 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001203900007 812486393 /nfs/dbraw/zinc/48/63/93/812486393.db2.gz LYJBNCLNFPBRIY-ZDUSSCGKSA-N 1 2 268.282 3.127 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(OC(C)C)c2F)cc[nH+]1 ZINC001215726813 815566241 /nfs/dbraw/zinc/56/62/41/815566241.db2.gz YZHOOVIVZYILHG-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]CCc1ccc(C)cc1)C(=O)OCC ZINC001207334633 813542972 /nfs/dbraw/zinc/54/29/72/813542972.db2.gz SKNDBOXAEDEKJI-MRXNPFEDSA-N 1 2 275.392 3.025 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3cccc(Cl)c3)CCC2S1 ZINC001207421429 813560064 /nfs/dbraw/zinc/56/00/64/813560064.db2.gz HHSPUSUKGQVNOP-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3cccc(Cl)c3)CCC2S1 ZINC001207421429 813560067 /nfs/dbraw/zinc/56/00/67/813560067.db2.gz HHSPUSUKGQVNOP-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@H+](CCc3cccc(Cl)c3)CC[C@H]2S1 ZINC001207421429 813560070 /nfs/dbraw/zinc/56/00/70/813560070.db2.gz HHSPUSUKGQVNOP-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO O=C1C=C2C[N@@H+](CCc3cccc(Cl)c3)CC[C@H]2S1 ZINC001207421429 813560074 /nfs/dbraw/zinc/56/00/74/813560074.db2.gz HHSPUSUKGQVNOP-CQSZACIVSA-N 1 2 293.819 3.157 20 30 CGEDLO CCCCCCC/C=C/C[NH+]1CC(N2CC(F)C2)C1 ZINC001208120806 813698026 /nfs/dbraw/zinc/69/80/26/813698026.db2.gz UKCFLLHCPRYGHB-CMDGGOBGSA-N 1 2 268.420 3.241 20 30 CGEDLO N#CCC[N@H+](CCOc1ccccc1)Cc1ccccc1 ZINC001209296191 813994321 /nfs/dbraw/zinc/99/43/21/813994321.db2.gz JJXKDOKXERELPL-UHFFFAOYSA-N 1 2 280.371 3.481 20 30 CGEDLO N#CCC[N@@H+](CCOc1ccccc1)Cc1ccccc1 ZINC001209296191 813994323 /nfs/dbraw/zinc/99/43/23/813994323.db2.gz JJXKDOKXERELPL-UHFFFAOYSA-N 1 2 280.371 3.481 20 30 CGEDLO C=CCCCCCCCCN1CC[NH+](CCOC)CC1 ZINC001209443210 814042593 /nfs/dbraw/zinc/04/25/93/814042593.db2.gz PCAKNYBPIJQIDJ-UHFFFAOYSA-N 1 2 282.472 3.167 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cccc(OC)c1C#N ZINC001210120734 814298107 /nfs/dbraw/zinc/29/81/07/814298107.db2.gz NSYQSWRVCWIVMG-UHFFFAOYSA-N 1 2 269.304 3.104 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1C1=CC(=O)C[C@H](C)C1 ZINC001242742915 823118923 /nfs/dbraw/zinc/11/89/23/823118923.db2.gz CYPMGPYVXKXRFO-GFCCVEGCSA-N 1 2 282.343 3.263 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(N3CCCC3)c(C#N)c2)cc1N ZINC001210289652 814385463 /nfs/dbraw/zinc/38/54/63/814385463.db2.gz WPDDAFVJKBQCLO-UHFFFAOYSA-N 1 2 293.374 3.188 20 30 CGEDLO C#Cc1cc(Nc2ccccc2NC(=O)C(C)(C)C)cc[nH+]1 ZINC001215831726 815610026 /nfs/dbraw/zinc/61/00/26/815610026.db2.gz SDIUECGFYKWRCC-UHFFFAOYSA-N 1 2 293.370 3.213 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(F)cc2C#N)c[nH+]1 ZINC001210550596 814521339 /nfs/dbraw/zinc/52/13/39/814521339.db2.gz KNXXIKSIUKIFJT-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO C[C@@H]1CC(=O)C=C(Nc2ccccc2-n2cc[nH+]c2)C1 ZINC001210770971 814617341 /nfs/dbraw/zinc/61/73/41/814617341.db2.gz RVUFJELGVVNLMK-LBPRGKRZSA-N 1 2 267.332 3.167 20 30 CGEDLO Cc1ccc(OC(C)C)c([NH+]=C(NO)c2ccccc2N)c1 ZINC001211280230 814869449 /nfs/dbraw/zinc/86/94/49/814869449.db2.gz HOKCIUJVUNHRGZ-UHFFFAOYSA-N 1 2 299.374 3.422 20 30 CGEDLO C#Cc1cc(Nc2c(F)cccc2SC)cc[nH+]1 ZINC001215821984 815605216 /nfs/dbraw/zinc/60/52/16/815605216.db2.gz JBWWNHZZJOMONQ-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO CCCCCCC[C@@H](CCC)OC[C@@H]([NH3+])C(=O)OC ZINC001217898372 815996324 /nfs/dbraw/zinc/99/63/24/815996324.db2.gz WNEQIGSEMVLOIR-ZIAGYGMSSA-N 1 2 273.417 3.033 20 30 CGEDLO C=CCn1cc(-c2cccc(-c3c[nH+]cn3C)c2)cn1 ZINC001222400309 816434115 /nfs/dbraw/zinc/43/41/15/816434115.db2.gz MUXKIGOLDYBLMR-UHFFFAOYSA-N 1 2 264.332 3.137 20 30 CGEDLO C#C[C@H](CCCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228087182 817808114 /nfs/dbraw/zinc/80/81/14/817808114.db2.gz DZKYQISPWZYVBT-OAHLLOKOSA-N 1 2 271.360 3.241 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1Cl ZINC001231420645 818094208 /nfs/dbraw/zinc/09/42/08/818094208.db2.gz CAXARLIJLQITOW-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1Cl ZINC001231420645 818094212 /nfs/dbraw/zinc/09/42/12/818094212.db2.gz CAXARLIJLQITOW-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO CCc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)s1 ZINC001231503632 818116104 /nfs/dbraw/zinc/11/61/04/818116104.db2.gz IEWLSFLLWJEIBI-UHFFFAOYSA-N 1 2 298.411 3.445 20 30 CGEDLO N#Cc1ccc(C[NH+]2CCC(F)(F)CC2)cc1Cl ZINC001232109281 818258753 /nfs/dbraw/zinc/25/87/53/818258753.db2.gz DJLNAHIDFJYZRT-UHFFFAOYSA-N 1 2 270.710 3.443 20 30 CGEDLO CCc1csc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC001232474126 818362863 /nfs/dbraw/zinc/36/28/63/818362863.db2.gz PBPGQAKLYIQNHG-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1csc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC001232474126 818362870 /nfs/dbraw/zinc/36/28/70/818362870.db2.gz PBPGQAKLYIQNHG-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001232605160 818394200 /nfs/dbraw/zinc/39/42/00/818394200.db2.gz VAPCMSQDOKUBAU-INIZCTEOSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001232605160 818394206 /nfs/dbraw/zinc/39/42/06/818394206.db2.gz VAPCMSQDOKUBAU-INIZCTEOSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001232888390 818465041 /nfs/dbraw/zinc/46/50/41/818465041.db2.gz ADRBTXHOQHTRRO-CYBMUJFWSA-N 1 2 286.272 3.267 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001232888390 818465044 /nfs/dbraw/zinc/46/50/44/818465044.db2.gz ADRBTXHOQHTRRO-CYBMUJFWSA-N 1 2 286.272 3.267 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)cc(Cl)cc2OC)C1 ZINC001233003713 818497234 /nfs/dbraw/zinc/49/72/34/818497234.db2.gz RNVUDLUFNKOHFR-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)cc(Cl)cc2OC)C1 ZINC001233003713 818497236 /nfs/dbraw/zinc/49/72/36/818497236.db2.gz RNVUDLUFNKOHFR-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO CC[N@H+](Cc1[nH]ccc1C#N)Cc1ccc(F)cc1 ZINC001233048136 818510052 /nfs/dbraw/zinc/51/00/52/818510052.db2.gz XCFDUCUXMNSBGO-UHFFFAOYSA-N 1 2 257.312 3.048 20 30 CGEDLO CC[N@@H+](Cc1[nH]ccc1C#N)Cc1ccc(F)cc1 ZINC001233048136 818510055 /nfs/dbraw/zinc/51/00/55/818510055.db2.gz XCFDUCUXMNSBGO-UHFFFAOYSA-N 1 2 257.312 3.048 20 30 CGEDLO C=CC[N@H+](Cc1nc2ccccn2n1)C1CCCCC1 ZINC001233073750 818516929 /nfs/dbraw/zinc/51/69/29/818516929.db2.gz BWAZXNRKDUGSPA-UHFFFAOYSA-N 1 2 270.380 3.050 20 30 CGEDLO C=CC[N@@H+](Cc1nc2ccccn2n1)C1CCCCC1 ZINC001233073750 818516935 /nfs/dbraw/zinc/51/69/35/818516935.db2.gz BWAZXNRKDUGSPA-UHFFFAOYSA-N 1 2 270.380 3.050 20 30 CGEDLO N#CCC[N@@H+](Cc1c(O)ccc(F)c1F)C1CCCC1 ZINC001233334842 818584345 /nfs/dbraw/zinc/58/43/45/818584345.db2.gz WDERPRDEVASRER-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO N#CCC[N@H+](Cc1c(O)ccc(F)c1F)C1CCCC1 ZINC001233334842 818584353 /nfs/dbraw/zinc/58/43/53/818584353.db2.gz WDERPRDEVASRER-UHFFFAOYSA-N 1 2 280.318 3.329 20 30 CGEDLO Cc1ccnc(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC001235587447 819123592 /nfs/dbraw/zinc/12/35/92/819123592.db2.gz CXLBEJXXLZMGCO-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO COc1ccc(C#N)cc1-c1c[nH+]c(N(C)C)cc1C ZINC001236541343 819530025 /nfs/dbraw/zinc/53/00/25/819530025.db2.gz WRMNQJQKPUYFBN-UHFFFAOYSA-N 1 2 267.332 3.003 20 30 CGEDLO COc1ccc2sc(C[N@H+](C)CCC#N)cc2c1 ZINC001236658494 819564281 /nfs/dbraw/zinc/56/42/81/819564281.db2.gz KZTZDKXZWRQTDJ-UHFFFAOYSA-N 1 2 260.362 3.255 20 30 CGEDLO COc1ccc2sc(C[N@@H+](C)CCC#N)cc2c1 ZINC001236658494 819564286 /nfs/dbraw/zinc/56/42/86/819564286.db2.gz KZTZDKXZWRQTDJ-UHFFFAOYSA-N 1 2 260.362 3.255 20 30 CGEDLO N#CCc1ccc(C(F)(F)F)cc1-c1ccc[nH+]c1N ZINC001243474284 823414671 /nfs/dbraw/zinc/41/46/71/823414671.db2.gz VLGWCXOBSWDIFM-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO CC1(C)C[NH+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236856550 819622944 /nfs/dbraw/zinc/62/29/44/819622944.db2.gz RFVNRINDEPXDKB-UHFFFAOYSA-N 1 2 279.181 3.163 20 30 CGEDLO CC(C)OC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525554 819771561 /nfs/dbraw/zinc/77/15/61/819771561.db2.gz GYZSOLLYAAYOSZ-UHFFFAOYSA-N 1 2 294.345 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798756 819845883 /nfs/dbraw/zinc/84/58/83/819845883.db2.gz MWEMHRJRCISIAQ-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798756 819845887 /nfs/dbraw/zinc/84/58/87/819845887.db2.gz MWEMHRJRCISIAQ-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO CCCOc1cc(F)ccc1C[NH+]1CCC(C#N)CC1 ZINC001237903008 819876444 /nfs/dbraw/zinc/87/64/44/819876444.db2.gz DRHJDIIFTUZDGI-UHFFFAOYSA-N 1 2 276.355 3.350 20 30 CGEDLO COc1cc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)ccc1C#N ZINC001238409532 819988016 /nfs/dbraw/zinc/98/80/16/819988016.db2.gz HGUSHPCEEORXIR-CQSZACIVSA-N 1 2 298.308 3.136 20 30 CGEDLO COc1cc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)ccc1C#N ZINC001238409532 819988019 /nfs/dbraw/zinc/98/80/19/819988019.db2.gz HGUSHPCEEORXIR-CQSZACIVSA-N 1 2 298.308 3.136 20 30 CGEDLO COc1c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc(F)c1F ZINC001238473046 820017127 /nfs/dbraw/zinc/01/71/27/820017127.db2.gz PWZKHJGEJOCVPQ-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc(F)c1F ZINC001238473046 820017136 /nfs/dbraw/zinc/01/71/36/820017136.db2.gz PWZKHJGEJOCVPQ-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1ccccc1OCC#N ZINC001243585141 823456043 /nfs/dbraw/zinc/45/60/43/823456043.db2.gz YNSNIEWNKPRQIH-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO CCCCCCCCNC(=O)N1CC[NH2+]C2=CCCC[C@@H]21 ZINC001239310549 820260529 /nfs/dbraw/zinc/26/05/29/820260529.db2.gz YPMBBMPRIUDYRF-INIZCTEOSA-N 1 2 293.455 3.398 20 30 CGEDLO Cc1ccnc(-c2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001243658431 823477251 /nfs/dbraw/zinc/47/72/51/823477251.db2.gz YDJFZYVVLHMTTJ-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)c2cc[nH]c21 ZINC001240218328 820891724 /nfs/dbraw/zinc/89/17/24/820891724.db2.gz AXOFJXKXMYIELD-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#CCCOc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240218523 820891746 /nfs/dbraw/zinc/89/17/46/820891746.db2.gz PUDYJNNIMKLZGA-UHFFFAOYSA-N 1 2 263.300 3.294 20 30 CGEDLO N#CCc1ccc(C(F)(F)F)cc1-c1cc[nH+]c(N)c1 ZINC001241169515 821614236 /nfs/dbraw/zinc/61/42/36/821614236.db2.gz CQCPOASWXLNPLI-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO COc1cc(-c2cc(C)[nH+]c(C)c2)cc(F)c1C#N ZINC001241995946 822265104 /nfs/dbraw/zinc/26/51/04/822265104.db2.gz NOWSJAYLVFJABB-UHFFFAOYSA-N 1 2 256.280 3.385 20 30 CGEDLO Cc1cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)ccc1O ZINC001242122048 822885296 /nfs/dbraw/zinc/88/52/96/822885296.db2.gz QCIRAPSTIVFBNK-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO CCOC(=[NH2+])c1ccc(-c2cnc(C#N)c(C)c2)cc1 ZINC001242358776 822965543 /nfs/dbraw/zinc/96/55/43/822965543.db2.gz VFEBCLXSAIULEZ-UHFFFAOYSA-N 1 2 265.316 3.291 20 30 CGEDLO C=C(CC(C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001349403432 936948377 /nfs/dbraw/zinc/94/83/77/936948377.db2.gz IWYQUNGVOIBQOM-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC1CC(C)(C)C1 ZINC001480995300 926854987 /nfs/dbraw/zinc/85/49/87/926854987.db2.gz MANYBCVXKCHZMR-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC1CC(C)(C)C1 ZINC001480995300 926855007 /nfs/dbraw/zinc/85/50/07/926855007.db2.gz MANYBCVXKCHZMR-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCC2(CC2)CC1 ZINC001460356842 937528529 /nfs/dbraw/zinc/52/85/29/937528529.db2.gz RRHHMUZIGMWCHS-UHFFFAOYSA-N 1 2 291.435 3.234 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CCC2(CC2)CC1 ZINC001460356842 937528532 /nfs/dbraw/zinc/52/85/32/937528532.db2.gz RRHHMUZIGMWCHS-UHFFFAOYSA-N 1 2 291.435 3.234 20 30 CGEDLO Cc1cc(OC2C[NH+](Cc3ccccc3)C2)ccc1C#N ZINC001229213914 932117133 /nfs/dbraw/zinc/11/71/33/932117133.db2.gz DROWWRNABFPWBW-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO C=CC[C@H](CCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920561 932642391 /nfs/dbraw/zinc/64/23/91/932642391.db2.gz PETHREMMQJYWSM-CQSZACIVSA-N 1 2 259.349 3.491 20 30 CGEDLO C=C1O[C@@H](CC)C(=O)C1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080283 932674453 /nfs/dbraw/zinc/67/44/53/932674453.db2.gz BBPNAFJIHZEIRJ-ZDUSSCGKSA-N 1 2 284.315 3.065 20 30 CGEDLO N#Cc1cc(-c2cc[nH+]c(N3CCOCC3)c2)ccc1Cl ZINC001240400508 932697369 /nfs/dbraw/zinc/69/73/69/932697369.db2.gz FGIPRQMLYDGXCU-UHFFFAOYSA-N 1 2 299.761 3.110 20 30 CGEDLO CCc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001462321356 937632253 /nfs/dbraw/zinc/63/22/53/937632253.db2.gz CXKQIXWNCCCIIF-UHFFFAOYSA-N 1 2 292.382 3.384 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001339280613 932942959 /nfs/dbraw/zinc/94/29/59/932942959.db2.gz SMXGGWMZSAWISL-HZPDHXFCSA-N 1 2 289.423 3.428 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC001307744686 932995865 /nfs/dbraw/zinc/99/58/65/932995865.db2.gz AFMPCVGQKYCQCZ-IRXDYDNUSA-N 1 2 287.403 3.156 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC001307744686 932995869 /nfs/dbraw/zinc/99/58/69/932995869.db2.gz AFMPCVGQKYCQCZ-IRXDYDNUSA-N 1 2 287.403 3.156 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC001308505980 933122127 /nfs/dbraw/zinc/12/21/27/933122127.db2.gz OETCKJQOSHLLEK-NSHDSACASA-N 1 2 288.782 3.132 20 30 CGEDLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC001308802080 933178726 /nfs/dbraw/zinc/17/87/26/933178726.db2.gz OZJKLBWEBZJZQB-DIFFPNOSSA-N 1 2 282.318 3.309 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC001308837613 933187017 /nfs/dbraw/zinc/18/70/17/933187017.db2.gz GYAFBHDMYARXOR-UHFFFAOYSA-N 1 2 286.338 3.017 20 30 CGEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3nccnc3c1)C2 ZINC001308837613 933187020 /nfs/dbraw/zinc/18/70/20/933187020.db2.gz GYAFBHDMYARXOR-UHFFFAOYSA-N 1 2 286.338 3.017 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C(=O)OC ZINC001308901684 933199558 /nfs/dbraw/zinc/19/95/58/933199558.db2.gz MICOYJBFXVXCBX-ABAIWWIYSA-N 1 2 297.345 3.166 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)CCC1CC1)C(=O)OCC ZINC001308899793 933199648 /nfs/dbraw/zinc/19/96/48/933199648.db2.gz BWUBHDIRULNEJW-WCQYABFASA-N 1 2 273.804 3.229 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C(=O)OCC ZINC001308918942 933204710 /nfs/dbraw/zinc/20/47/10/933204710.db2.gz RULFLBMVGWHWCJ-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2c(Cl)nc(N)n2C)cc1Cl ZINC001324190643 934469819 /nfs/dbraw/zinc/46/98/19/934469819.db2.gz BNAQLDLAPNURJD-UHFFFAOYSA-N 1 2 298.177 3.064 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001324625270 934533638 /nfs/dbraw/zinc/53/36/38/934533638.db2.gz LNFSQVFYWMZJKM-IUODEOHRSA-N 1 2 295.810 3.368 20 30 CGEDLO C#CC[N@@H+](Cc1cccc(C)c1Br)C1CC1 ZINC001473481528 937808764 /nfs/dbraw/zinc/80/87/64/937808764.db2.gz BLVQIKFTHTUEGP-UHFFFAOYSA-N 1 2 278.193 3.355 20 30 CGEDLO C#CC[N@H+](Cc1cccc(C)c1Br)C1CC1 ZINC001473481528 937808766 /nfs/dbraw/zinc/80/87/66/937808766.db2.gz BLVQIKFTHTUEGP-UHFFFAOYSA-N 1 2 278.193 3.355 20 30 CGEDLO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2C#N)c1 ZINC001326005678 934943728 /nfs/dbraw/zinc/94/37/28/934943728.db2.gz KFFGGTNKZLHJTM-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1cccc([C@H]2CCC[N@H+]2Cc2ccncc2C#N)c1 ZINC001326005678 934943732 /nfs/dbraw/zinc/94/37/32/934943732.db2.gz KFFGGTNKZLHJTM-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C(=O)OCC ZINC001326380094 934975742 /nfs/dbraw/zinc/97/57/42/934975742.db2.gz FHGDDGNZRKPBGE-GXTWGEPZSA-N 1 2 281.421 3.167 20 30 CGEDLO C#Cc1ccc(CNc2[nH+]cccc2OC(C)C)cc1 ZINC001329780843 935245788 /nfs/dbraw/zinc/24/57/88/935245788.db2.gz RYDNDLZNOGEARS-UHFFFAOYSA-N 1 2 266.344 3.462 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OCC ZINC001331728558 935406186 /nfs/dbraw/zinc/40/61/86/935406186.db2.gz OMTGXFPWFIIAMG-XJFOESAGSA-N 1 2 293.432 3.338 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC001336772319 936216603 /nfs/dbraw/zinc/21/66/03/936216603.db2.gz KJKCROFDHRRWTB-QAPCUYQASA-N 1 2 290.370 3.204 20 30 CGEDLO CC#CC[N@@H+](CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001473892367 937827819 /nfs/dbraw/zinc/82/78/19/937827819.db2.gz UDGOJYMZISFMHM-GFCCVEGCSA-N 1 2 262.422 3.113 20 30 CGEDLO CC#CC[N@H+](CC)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001473892367 937827821 /nfs/dbraw/zinc/82/78/21/937827821.db2.gz UDGOJYMZISFMHM-GFCCVEGCSA-N 1 2 262.422 3.113 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001474390242 937856758 /nfs/dbraw/zinc/85/67/58/937856758.db2.gz UCRTTXARXFYYOP-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001474390242 937856759 /nfs/dbraw/zinc/85/67/59/937856759.db2.gz UCRTTXARXFYYOP-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCC1CCCC1 ZINC001498217420 937968148 /nfs/dbraw/zinc/96/81/48/937968148.db2.gz SKQPEEDORXHTGC-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCC1CCCC1 ZINC001498217420 937968149 /nfs/dbraw/zinc/96/81/49/937968149.db2.gz SKQPEEDORXHTGC-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C#CCC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001542877491 938137273 /nfs/dbraw/zinc/13/72/73/938137273.db2.gz YCOSMHQCUBMWFX-UHFFFAOYSA-N 1 2 281.359 3.169 20 30 CGEDLO C=CC[N@@H+](CCCF)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001559751912 938234635 /nfs/dbraw/zinc/23/46/35/938234635.db2.gz OFQMGQVVSAFPOQ-INIZCTEOSA-N 1 2 293.382 3.008 20 30 CGEDLO C=CC[N@H+](CCCF)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001559751912 938234636 /nfs/dbraw/zinc/23/46/36/938234636.db2.gz OFQMGQVVSAFPOQ-INIZCTEOSA-N 1 2 293.382 3.008 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H](CC)CO1 ZINC001559973258 938240785 /nfs/dbraw/zinc/24/07/85/938240785.db2.gz HUCDLGVDRDZMNP-DLBZAZTESA-N 1 2 275.367 3.067 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](CC)CO1 ZINC001559973258 938240786 /nfs/dbraw/zinc/24/07/86/938240786.db2.gz HUCDLGVDRDZMNP-DLBZAZTESA-N 1 2 275.367 3.067 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OC ZINC001560967328 938286796 /nfs/dbraw/zinc/28/67/96/938286796.db2.gz DPSFRDKLGGKEOG-ZBFHGGJFSA-N 1 2 275.392 3.023 20 30 CGEDLO COc1cc(Nc2ccc(C#N)cc2F)cc(C)[nH+]1 ZINC001201562002 957899021 /nfs/dbraw/zinc/89/90/21/957899021.db2.gz VKZUFOZJALNHQG-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO Cc1cc(N2CCc3cc(C#N)ccc3C2)nc(C(C)C)[nH+]1 ZINC001164484942 958840486 /nfs/dbraw/zinc/84/04/86/958840486.db2.gz REBNIHHGMRTIBA-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)[C@H]1C ZINC001566102068 960876122 /nfs/dbraw/zinc/87/61/22/960876122.db2.gz ILJYBDJZWGYUQE-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)[C@H]1C ZINC001566102068 960876134 /nfs/dbraw/zinc/87/61/34/960876134.db2.gz ILJYBDJZWGYUQE-KGLIPLIRSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001567920822 961460334 /nfs/dbraw/zinc/46/03/34/961460334.db2.gz LSLNIJBNPDUPHT-CYBMUJFWSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001567920822 961460338 /nfs/dbraw/zinc/46/03/38/961460338.db2.gz LSLNIJBNPDUPHT-CYBMUJFWSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC001569123454 961701737 /nfs/dbraw/zinc/70/17/37/961701737.db2.gz WHHTVBOJYWCWOV-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC001569123454 961701745 /nfs/dbraw/zinc/70/17/45/961701745.db2.gz WHHTVBOJYWCWOV-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001569510423 961787875 /nfs/dbraw/zinc/78/78/75/961787875.db2.gz RBERSKCJRBVBJN-AATRIKPKSA-N 1 2 298.430 3.117 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(F)c1 ZINC000124737514 187151427 /nfs/dbraw/zinc/15/14/27/187151427.db2.gz WFYNGFVRSCSBCT-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(F)c1 ZINC000124737514 187151428 /nfs/dbraw/zinc/15/14/28/187151428.db2.gz WFYNGFVRSCSBCT-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000590660599 346861074 /nfs/dbraw/zinc/86/10/74/346861074.db2.gz YAURPIKBSMWPEH-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000590660599 346861079 /nfs/dbraw/zinc/86/10/79/346861079.db2.gz YAURPIKBSMWPEH-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CCc1cc(CCC[N@H+](CCC#N)Cc2ccco2)on1 ZINC000347747312 529527286 /nfs/dbraw/zinc/52/72/86/529527286.db2.gz ZWLXSHWGFJOXTH-UHFFFAOYSA-N 1 2 287.363 3.178 20 30 CGEDLO CCc1cc(CCC[N@@H+](CCC#N)Cc2ccco2)on1 ZINC000347747312 529527288 /nfs/dbraw/zinc/52/72/88/529527288.db2.gz ZWLXSHWGFJOXTH-UHFFFAOYSA-N 1 2 287.363 3.178 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(NC2CC2)[nH+]cn1 ZINC000591157973 346905947 /nfs/dbraw/zinc/90/59/47/346905947.db2.gz XUJXNTZUJUJFPW-OAHLLOKOSA-N 1 2 291.358 3.022 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(NC2CC2)nc[nH+]1 ZINC000591157973 346905950 /nfs/dbraw/zinc/90/59/50/346905950.db2.gz XUJXNTZUJUJFPW-OAHLLOKOSA-N 1 2 291.358 3.022 20 30 CGEDLO N#CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000591758908 346934699 /nfs/dbraw/zinc/93/46/99/346934699.db2.gz SBTRCVKZVFPXFQ-LBPRGKRZSA-N 1 2 250.729 3.057 20 30 CGEDLO Cc1cc(N2CC(Cc3ccccc3C)C2)c(C#N)c[nH+]1 ZINC000591821577 346940023 /nfs/dbraw/zinc/94/00/23/346940023.db2.gz DWAMAIBLMZZTSX-UHFFFAOYSA-N 1 2 277.371 3.249 20 30 CGEDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592056064 346958388 /nfs/dbraw/zinc/95/83/88/346958388.db2.gz UMTGKZABSFZNJQ-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592056064 346958392 /nfs/dbraw/zinc/95/83/92/346958392.db2.gz UMTGKZABSFZNJQ-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3ccccc3F)CCC2)n1 ZINC000592146491 346966722 /nfs/dbraw/zinc/96/67/22/346966722.db2.gz RLGFNISCKSWMEQ-UHFFFAOYSA-N 1 2 287.363 3.323 20 30 CGEDLO Cc1cc(Nc2ccc(C#N)cn2)ccc1[NH+](C)C ZINC000029621154 344918339 /nfs/dbraw/zinc/91/83/39/344918339.db2.gz VFJVFWVVWHYPRX-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)C[C@H](C)S1 ZINC000075890931 345526728 /nfs/dbraw/zinc/52/67/28/345526728.db2.gz BFBMGCAXMCBBCG-PHIMTYICSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C[C@H](C)S1 ZINC000075890931 345526730 /nfs/dbraw/zinc/52/67/30/345526730.db2.gz BFBMGCAXMCBBCG-PHIMTYICSA-N 1 2 264.369 3.023 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1cccc2ccccc21 ZINC000081514140 345711701 /nfs/dbraw/zinc/71/17/01/345711701.db2.gz BJZCXMUPCKPASH-UHFFFAOYSA-N 1 2 268.360 3.454 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1cccc2ccccc21 ZINC000081514140 345711703 /nfs/dbraw/zinc/71/17/03/345711703.db2.gz BJZCXMUPCKPASH-UHFFFAOYSA-N 1 2 268.360 3.454 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000134910709 346084753 /nfs/dbraw/zinc/08/47/53/346084753.db2.gz UBWOHNNNSHYPTG-KRWDZBQOSA-N 1 2 285.391 3.063 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(Cl)cc1C ZINC000136187796 346089819 /nfs/dbraw/zinc/08/98/19/346089819.db2.gz BSZSSIUALSNSTP-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1C ZINC000136187796 346089823 /nfs/dbraw/zinc/08/98/23/346089823.db2.gz BSZSSIUALSNSTP-UHFFFAOYSA-N 1 2 266.772 3.011 20 30 CGEDLO C=CCC[C@H](CC)[NH2+]Cc1[nH]ncc1Br ZINC000308921148 346468892 /nfs/dbraw/zinc/46/88/92/346468892.db2.gz HCDIVFQGHCTMFP-VIFPVBQESA-N 1 2 272.190 3.007 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000309553190 346469380 /nfs/dbraw/zinc/46/93/80/346469380.db2.gz GPGANRCIKKBJJH-UHFFFAOYSA-N 1 2 255.148 3.387 20 30 CGEDLO CSCc1cnc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593654539 347101238 /nfs/dbraw/zinc/10/12/38/347101238.db2.gz GJIYKOAPCZCTEX-UHFFFAOYSA-N 1 2 281.450 3.180 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000397676197 346583879 /nfs/dbraw/zinc/58/38/79/346583879.db2.gz KPMBCRLXVWNNBH-AWEZNQCLSA-N 1 2 272.396 3.124 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000397676197 346583882 /nfs/dbraw/zinc/58/38/82/346583882.db2.gz KPMBCRLXVWNNBH-AWEZNQCLSA-N 1 2 272.396 3.124 20 30 CGEDLO Cc1cnc(CC[N@@H+]2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000405103105 346602857 /nfs/dbraw/zinc/60/28/57/346602857.db2.gz JAQWPFSMGIRNOY-UHFFFAOYSA-N 1 2 277.371 3.128 20 30 CGEDLO Cc1cnc(CC[N@H+]2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000405103105 346602859 /nfs/dbraw/zinc/60/28/59/346602859.db2.gz JAQWPFSMGIRNOY-UHFFFAOYSA-N 1 2 277.371 3.128 20 30 CGEDLO C#C[C@H](CC)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000491784910 346629724 /nfs/dbraw/zinc/62/97/24/346629724.db2.gz QHYGAIGHIINZSJ-CYBMUJFWSA-N 1 2 286.400 3.224 20 30 CGEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)no1 ZINC000585726494 346727848 /nfs/dbraw/zinc/72/78/48/346727848.db2.gz KSBPWYHCVIFJNV-JTQLQIEISA-N 1 2 275.739 3.359 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCCc3sccc3C2)n1 ZINC000589497811 346798969 /nfs/dbraw/zinc/79/89/69/346798969.db2.gz CDZPTYKZGWKGHT-UHFFFAOYSA-N 1 2 275.402 3.025 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCCc3sccc3C2)n1 ZINC000589497811 346798972 /nfs/dbraw/zinc/79/89/72/346798972.db2.gz CDZPTYKZGWKGHT-UHFFFAOYSA-N 1 2 275.402 3.025 20 30 CGEDLO COCc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028063 347138767 /nfs/dbraw/zinc/13/87/67/347138767.db2.gz ARIXETKSDNZJOD-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO COCc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000594028063 347138769 /nfs/dbraw/zinc/13/87/69/347138769.db2.gz ARIXETKSDNZJOD-UHFFFAOYSA-N 1 2 278.355 3.220 20 30 CGEDLO N#Cc1nccc(Nc2ccc([NH2+]C3CCCCC3)cc2)n1 ZINC000594548831 347191980 /nfs/dbraw/zinc/19/19/80/347191980.db2.gz IZZZMCQTVZRAGV-UHFFFAOYSA-N 1 2 293.374 3.258 20 30 CGEDLO CC(C)(C#N)c1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000594515095 347185962 /nfs/dbraw/zinc/18/59/62/347185962.db2.gz DZWWZDPTRKAYMT-UHFFFAOYSA-N 1 2 252.308 3.233 20 30 CGEDLO COCc1cc[nH+]c(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594744283 347215844 /nfs/dbraw/zinc/21/58/44/347215844.db2.gz XOSXYXKRQNNTDC-UHFFFAOYSA-N 1 2 293.370 3.395 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000594956765 347240107 /nfs/dbraw/zinc/24/01/07/347240107.db2.gz MUPDFKHYOMTFKT-KRWDZBQOSA-N 1 2 295.390 3.138 20 30 CGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611869 347326780 /nfs/dbraw/zinc/32/67/80/347326780.db2.gz ODAINCGERIBFAB-RYUDHWBXSA-N 1 2 276.384 3.054 20 30 CGEDLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611869 347326782 /nfs/dbraw/zinc/32/67/82/347326782.db2.gz ODAINCGERIBFAB-RYUDHWBXSA-N 1 2 276.384 3.054 20 30 CGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616086 347327128 /nfs/dbraw/zinc/32/71/28/347327128.db2.gz OYYIXARPBFUQPU-CHWSQXEVSA-N 1 2 296.374 3.022 20 30 CGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616086 347327129 /nfs/dbraw/zinc/32/71/29/347327129.db2.gz OYYIXARPBFUQPU-CHWSQXEVSA-N 1 2 296.374 3.022 20 30 CGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616087 347327465 /nfs/dbraw/zinc/32/74/65/347327465.db2.gz OYYIXARPBFUQPU-OLZOCXBDSA-N 1 2 296.374 3.022 20 30 CGEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616087 347327469 /nfs/dbraw/zinc/32/74/69/347327469.db2.gz OYYIXARPBFUQPU-OLZOCXBDSA-N 1 2 296.374 3.022 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000595843091 347366603 /nfs/dbraw/zinc/36/66/03/347366603.db2.gz YJVHYIMRXGNCOP-HNNXBMFYSA-N 1 2 271.389 3.074 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000595843091 347366604 /nfs/dbraw/zinc/36/66/04/347366604.db2.gz YJVHYIMRXGNCOP-HNNXBMFYSA-N 1 2 271.389 3.074 20 30 CGEDLO N#CC[C@@H]1CCCN(c2[nH+]cnc3[nH]c4ccccc4c32)C1 ZINC000596325205 347417977 /nfs/dbraw/zinc/41/79/77/347417977.db2.gz IHLIXAPFWDGRNW-LBPRGKRZSA-N 1 2 291.358 3.241 20 30 CGEDLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597175663 347544162 /nfs/dbraw/zinc/54/41/62/347544162.db2.gz CJKOGGPMZRBHBU-LBPRGKRZSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597175663 347544163 /nfs/dbraw/zinc/54/41/63/347544163.db2.gz CJKOGGPMZRBHBU-LBPRGKRZSA-N 1 2 263.410 3.392 20 30 CGEDLO CN(c1ccccc1)c1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597204174 347554360 /nfs/dbraw/zinc/55/43/60/347554360.db2.gz SEAZYRMIEONCGE-UHFFFAOYSA-N 1 2 292.386 3.195 20 30 CGEDLO C[C@H](CC#N)C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000597449329 347575798 /nfs/dbraw/zinc/57/57/98/347575798.db2.gz ZTQPMKLVEFNJMK-LLVKDONJSA-N 1 2 298.390 3.359 20 30 CGEDLO Cc1cn2ccc(NC(=O)CC3(C#N)CCCCC3)cc2[nH+]1 ZINC000598469757 347661228 /nfs/dbraw/zinc/66/12/28/347661228.db2.gz RDDCZXZACWVXAN-UHFFFAOYSA-N 1 2 296.374 3.445 20 30 CGEDLO CCCc1ccc(C[N@@H+](CCC#N)CCOC)s1 ZINC000598670358 347677059 /nfs/dbraw/zinc/67/70/59/347677059.db2.gz MANSXKKLWWKCDD-UHFFFAOYSA-N 1 2 266.410 3.063 20 30 CGEDLO CCCc1ccc(C[N@H+](CCC#N)CCOC)s1 ZINC000598670358 347677062 /nfs/dbraw/zinc/67/70/62/347677062.db2.gz MANSXKKLWWKCDD-UHFFFAOYSA-N 1 2 266.410 3.063 20 30 CGEDLO CC[C@H](CC#N)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599065962 347713490 /nfs/dbraw/zinc/71/34/90/347713490.db2.gz OAJVKLCUEHEJSP-LLVKDONJSA-N 1 2 270.292 3.247 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cncc(Cl)c1)C2 ZINC000599679351 347765109 /nfs/dbraw/zinc/76/51/09/347765109.db2.gz YRZZKRPFHVIPCW-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1cncc(Cl)c1)C2 ZINC000599679351 347765111 /nfs/dbraw/zinc/76/51/11/347765111.db2.gz YRZZKRPFHVIPCW-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO C/C=C\C[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000599199729 347726077 /nfs/dbraw/zinc/72/60/77/347726077.db2.gz KRGPWGLQMLDBGK-NQHOJNORSA-N 1 2 255.365 3.444 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1C#N ZINC000599302818 347733415 /nfs/dbraw/zinc/73/34/15/347733415.db2.gz KPEOYFHUHXAJCW-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1C#N ZINC000599302818 347733416 /nfs/dbraw/zinc/73/34/16/347733416.db2.gz KPEOYFHUHXAJCW-IBGZPJMESA-N 1 2 292.382 3.440 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600595890 347812495 /nfs/dbraw/zinc/81/24/95/347812495.db2.gz NAIWRTJNZCSNSY-OAHLLOKOSA-N 1 2 293.382 3.102 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000600152525 347785480 /nfs/dbraw/zinc/78/54/80/347785480.db2.gz CHFJZJYHGVBHFP-UHFFFAOYSA-N 1 2 260.284 3.160 20 30 CGEDLO CC(C)c1nc2[nH]ccc2c(N2CCC(CC#N)CC2)[nH+]1 ZINC000601139903 347874532 /nfs/dbraw/zinc/87/45/32/347874532.db2.gz OQUFDNFENWYVJM-UHFFFAOYSA-N 1 2 283.379 3.211 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1cc(F)cc(C#N)c1 ZINC000601063493 347862191 /nfs/dbraw/zinc/86/21/91/347862191.db2.gz CXORUMNTUULTHF-UHFFFAOYSA-N 1 2 258.300 3.087 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@@H+]2C[C@@H](C)CCC#N)no1 ZINC000602450409 347960215 /nfs/dbraw/zinc/96/02/15/347960215.db2.gz VJNRZFWCHZXWGX-QWHCGFSZSA-N 1 2 276.384 3.099 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@H+]2C[C@@H](C)CCC#N)no1 ZINC000602450409 347960217 /nfs/dbraw/zinc/96/02/17/347960217.db2.gz VJNRZFWCHZXWGX-QWHCGFSZSA-N 1 2 276.384 3.099 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602448788 347960245 /nfs/dbraw/zinc/96/02/45/347960245.db2.gz PQYXFKBJSJNSNU-UHFFFAOYSA-N 1 2 253.296 3.143 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C(F)F)nc1 ZINC000602448788 347960246 /nfs/dbraw/zinc/96/02/46/347960246.db2.gz PQYXFKBJSJNSNU-UHFFFAOYSA-N 1 2 253.296 3.143 20 30 CGEDLO CC(C)CCN(CCC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602466066 347963020 /nfs/dbraw/zinc/96/30/20/347963020.db2.gz VZIHUDVWTGVEJU-HNNXBMFYSA-N 1 2 274.412 3.133 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)[C@H](c1nccn1C)C1CC1 ZINC000602466066 347963021 /nfs/dbraw/zinc/96/30/21/347963021.db2.gz VZIHUDVWTGVEJU-HNNXBMFYSA-N 1 2 274.412 3.133 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)[C@H](c1nccn1C)C1CC1 ZINC000602466066 347963022 /nfs/dbraw/zinc/96/30/22/347963022.db2.gz VZIHUDVWTGVEJU-HNNXBMFYSA-N 1 2 274.412 3.133 20 30 CGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(CC#N)cc1)C1CC1 ZINC000602613042 347993960 /nfs/dbraw/zinc/99/39/60/347993960.db2.gz LVJUDNVZCHDWEC-HNNXBMFYSA-N 1 2 266.348 3.049 20 30 CGEDLO COC(=O)[C@H]([NH2+]C[C@@H](C)CCC#N)c1cc(C)cc(C)c1 ZINC000602624584 347996001 /nfs/dbraw/zinc/99/60/01/347996001.db2.gz LBBYAZGWLWZIKC-BLLLJJGKSA-N 1 2 288.391 3.047 20 30 CGEDLO N#Cc1cccc(C[NH2+]C2(c3ccccc3Cl)CC2)n1 ZINC000602700143 348012876 /nfs/dbraw/zinc/01/28/76/348012876.db2.gz KJWFKYFKXCKVNX-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO C[N@H+](Cc1c(F)cccc1F)CC1(CC#N)CC1 ZINC000602832488 348034726 /nfs/dbraw/zinc/03/47/26/348034726.db2.gz NLFMAWNDFGJLCM-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO C[N@@H+](Cc1c(F)cccc1F)CC1(CC#N)CC1 ZINC000602832488 348034727 /nfs/dbraw/zinc/03/47/27/348034727.db2.gz NLFMAWNDFGJLCM-UHFFFAOYSA-N 1 2 250.292 3.090 20 30 CGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602864509 348038290 /nfs/dbraw/zinc/03/82/90/348038290.db2.gz RRQCUQYTFHYJRW-BFHYXJOUSA-N 1 2 287.407 3.419 20 30 CGEDLO N#CCCC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602928715 348046261 /nfs/dbraw/zinc/04/62/61/348046261.db2.gz PFZZXMKTUCRGPH-UHFFFAOYSA-N 1 2 268.282 3.367 20 30 CGEDLO N#CCCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602928715 348046263 /nfs/dbraw/zinc/04/62/63/348046263.db2.gz PFZZXMKTUCRGPH-UHFFFAOYSA-N 1 2 268.282 3.367 20 30 CGEDLO C[N@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602975877 348048336 /nfs/dbraw/zinc/04/83/36/348048336.db2.gz IGRDCVAZDLLUHQ-IINYFYTJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)ccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602975877 348048340 /nfs/dbraw/zinc/04/83/40/348048340.db2.gz IGRDCVAZDLLUHQ-IINYFYTJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980657 348051295 /nfs/dbraw/zinc/05/12/95/348051295.db2.gz SUCYQYVTPBGJGD-ZWKOTPCHSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980657 348051300 /nfs/dbraw/zinc/05/13/00/348051300.db2.gz SUCYQYVTPBGJGD-ZWKOTPCHSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@H+](Cc1ccccc1OC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982313 348052580 /nfs/dbraw/zinc/05/25/80/348052580.db2.gz QNNJMTPBDPQHHI-CZUORRHYSA-N 1 2 270.376 3.352 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982313 348052581 /nfs/dbraw/zinc/05/25/81/348052581.db2.gz QNNJMTPBDPQHHI-CZUORRHYSA-N 1 2 270.376 3.352 20 30 CGEDLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)CC#N ZINC000609449262 348344559 /nfs/dbraw/zinc/34/45/59/348344559.db2.gz ROMUODZUWUMBPW-LLVKDONJSA-N 1 2 286.331 3.001 20 30 CGEDLO N#Cc1cccc(Cl)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276373 348370373 /nfs/dbraw/zinc/37/03/73/348370373.db2.gz QZVOJORSEYUEHL-CYBMUJFWSA-N 1 2 286.766 3.250 20 30 CGEDLO CCc1cc(N[C@H](C)c2cccc(C#N)c2)nc[nH+]1 ZINC000610340205 348375877 /nfs/dbraw/zinc/37/58/77/348375877.db2.gz CSPFRIVVEGKCCB-LLVKDONJSA-N 1 2 252.321 3.084 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3n[nH]c4ccccc43)CC2)c1 ZINC000610972023 348413306 /nfs/dbraw/zinc/41/33/06/348413306.db2.gz OUYCJYGWVOGSIT-UHFFFAOYSA-N 1 2 288.354 3.213 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991775 348413886 /nfs/dbraw/zinc/41/38/86/348413886.db2.gz IRLKENVMSDONTN-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991775 348413889 /nfs/dbraw/zinc/41/38/89/348413889.db2.gz IRLKENVMSDONTN-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO N#CCCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000610990171 348414331 /nfs/dbraw/zinc/41/43/31/348414331.db2.gz OUIMHFQYONBMGU-UHFFFAOYSA-N 1 2 285.210 3.172 20 30 CGEDLO N#CCCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000610990171 348414333 /nfs/dbraw/zinc/41/43/33/348414333.db2.gz OUIMHFQYONBMGU-UHFFFAOYSA-N 1 2 285.210 3.172 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993080 348414884 /nfs/dbraw/zinc/41/48/84/348414884.db2.gz BZGMOCPHWSEDTP-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993080 348414886 /nfs/dbraw/zinc/41/48/86/348414886.db2.gz BZGMOCPHWSEDTP-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO N#CCCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000610729150 348399540 /nfs/dbraw/zinc/39/95/40/348399540.db2.gz STQGAVHTTBVHLZ-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO N#CCCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000610729150 348399542 /nfs/dbraw/zinc/39/95/42/348399542.db2.gz STQGAVHTTBVHLZ-UHFFFAOYSA-N 1 2 297.171 3.250 20 30 CGEDLO Cc1noc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000611245282 348430701 /nfs/dbraw/zinc/43/07/01/348430701.db2.gz QGRBDCDKRRJOMY-LBPRGKRZSA-N 1 2 294.358 3.100 20 30 CGEDLO Cc1noc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000611245282 348430704 /nfs/dbraw/zinc/43/07/04/348430704.db2.gz QGRBDCDKRRJOMY-LBPRGKRZSA-N 1 2 294.358 3.100 20 30 CGEDLO COc1ccc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]c1 ZINC000611475608 348454459 /nfs/dbraw/zinc/45/44/59/348454459.db2.gz IITIRNKETBAZDI-INIZCTEOSA-N 1 2 279.343 3.451 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC=CCC2)c(Br)c1 ZINC000611517539 348458009 /nfs/dbraw/zinc/45/80/09/348458009.db2.gz MZOUHWXWUYVZAI-UHFFFAOYSA-N 1 2 277.165 3.083 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC=CCC2)c(Br)c1 ZINC000611517539 348458014 /nfs/dbraw/zinc/45/80/14/348458014.db2.gz MZOUHWXWUYVZAI-UHFFFAOYSA-N 1 2 277.165 3.083 20 30 CGEDLO CCOc1ccc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612162525 348498360 /nfs/dbraw/zinc/49/83/60/348498360.db2.gz HPNGKAUDBUYJCI-KRWDZBQOSA-N 1 2 288.391 3.090 20 30 CGEDLO CCOc1ccc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612162525 348498362 /nfs/dbraw/zinc/49/83/62/348498362.db2.gz HPNGKAUDBUYJCI-KRWDZBQOSA-N 1 2 288.391 3.090 20 30 CGEDLO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612165635 348499095 /nfs/dbraw/zinc/49/90/95/348499095.db2.gz ONELIIUBBPPASN-BLLLJJGKSA-N 1 2 290.363 3.061 20 30 CGEDLO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612165635 348499098 /nfs/dbraw/zinc/49/90/98/348499098.db2.gz ONELIIUBBPPASN-BLLLJJGKSA-N 1 2 290.363 3.061 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000612166149 348499397 /nfs/dbraw/zinc/49/93/97/348499397.db2.gz BIHVTKOJYAIMMT-HNNXBMFYSA-N 1 2 280.318 3.414 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000612166149 348499401 /nfs/dbraw/zinc/49/94/01/348499401.db2.gz BIHVTKOJYAIMMT-HNNXBMFYSA-N 1 2 280.318 3.414 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000612406493 348517459 /nfs/dbraw/zinc/51/74/59/348517459.db2.gz NPBSXQQSQKLKOI-HNNXBMFYSA-N 1 2 292.452 3.115 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+]2CCC[C@@](C)(C#N)C2)s1 ZINC000612406493 348517461 /nfs/dbraw/zinc/51/74/61/348517461.db2.gz NPBSXQQSQKLKOI-HNNXBMFYSA-N 1 2 292.452 3.115 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000614916181 348700493 /nfs/dbraw/zinc/70/04/93/348700493.db2.gz WDMROOOHERXYSP-NXEZZACHSA-N 1 2 278.306 3.384 20 30 CGEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000617037148 348902961 /nfs/dbraw/zinc/90/29/61/348902961.db2.gz IZIDKAOAIHVUJS-GOEBONIOSA-N 1 2 297.402 3.128 20 30 CGEDLO C=CCCC1(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)CCCC1 ZINC000617417714 348959725 /nfs/dbraw/zinc/95/97/25/348959725.db2.gz CPHJBQJODVJQSQ-UHFFFAOYSA-N 1 2 289.423 3.330 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000617779771 349009438 /nfs/dbraw/zinc/00/94/38/349009438.db2.gz ILWZOCBQZZCWLB-CQSZACIVSA-N 1 2 297.402 3.310 20 30 CGEDLO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)no1 ZINC000619704960 349276942 /nfs/dbraw/zinc/27/69/42/349276942.db2.gz WMVCQWJMZZDUPN-NEPJUHHUSA-N 1 2 255.321 3.267 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000619783557 349285554 /nfs/dbraw/zinc/28/55/54/349285554.db2.gz YCPYWFCTSLQHGQ-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOc2cccc(F)c2C1 ZINC000619783557 349285556 /nfs/dbraw/zinc/28/55/56/349285556.db2.gz YCPYWFCTSLQHGQ-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000118849457 186786475 /nfs/dbraw/zinc/78/64/75/186786475.db2.gz RKUWYEPFPMBCJI-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000154283378 188133200 /nfs/dbraw/zinc/13/32/00/188133200.db2.gz ZLQSWEKCEQXECV-UHFFFAOYSA-N 1 2 297.314 3.224 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000154283378 188133202 /nfs/dbraw/zinc/13/32/02/188133202.db2.gz ZLQSWEKCEQXECV-UHFFFAOYSA-N 1 2 297.314 3.224 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000158789987 188394382 /nfs/dbraw/zinc/39/43/82/188394382.db2.gz BLNWOLOUJOFDII-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000158789987 188394383 /nfs/dbraw/zinc/39/43/83/188394383.db2.gz BLNWOLOUJOFDII-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000107285196 138357421 /nfs/dbraw/zinc/35/74/21/138357421.db2.gz IMIYPYVALMYYLA-UHFFFAOYSA-N 1 2 297.383 3.134 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000123813521 138370740 /nfs/dbraw/zinc/37/07/40/138370740.db2.gz RBQKZMWXAIVXJI-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000123813521 138370741 /nfs/dbraw/zinc/37/07/41/138370741.db2.gz RBQKZMWXAIVXJI-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO Cc1cc(NCc2cc(C3CC3)ccc2F)c(C#N)c[nH+]1 ZINC000425272766 236225736 /nfs/dbraw/zinc/22/57/36/236225736.db2.gz XFCVFDURECUFIF-UHFFFAOYSA-N 1 2 281.334 3.312 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000425286489 236227306 /nfs/dbraw/zinc/22/73/06/236227306.db2.gz UKIKVKQCBQVEFB-GFCCVEGCSA-N 1 2 278.359 3.423 20 30 CGEDLO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000180046140 189234152 /nfs/dbraw/zinc/23/41/52/189234152.db2.gz GTALQBVOMWGGJN-OAHLLOKOSA-N 1 2 288.391 3.014 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C#N)s2)s1 ZINC000180061033 189235583 /nfs/dbraw/zinc/23/55/83/189235583.db2.gz WIPYIWYUCRNUJK-UHFFFAOYSA-N 1 2 277.418 3.271 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C#N)s2)s1 ZINC000180061033 189235584 /nfs/dbraw/zinc/23/55/84/189235584.db2.gz WIPYIWYUCRNUJK-UHFFFAOYSA-N 1 2 277.418 3.271 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000180572375 189263311 /nfs/dbraw/zinc/26/33/11/189263311.db2.gz MNNANFULEMVWOY-UHFFFAOYSA-N 1 2 279.796 3.244 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180572375 189263312 /nfs/dbraw/zinc/26/33/12/189263312.db2.gz MNNANFULEMVWOY-UHFFFAOYSA-N 1 2 279.796 3.244 20 30 CGEDLO CC[N@H+](CCCNc1ccc(C#N)nc1)c1ccccc1 ZINC000301572909 201076491 /nfs/dbraw/zinc/07/64/91/201076491.db2.gz LKRVGFYSOUCKGF-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[N@@H+](CCCNc1ccc(C#N)nc1)c1ccccc1 ZINC000301572909 201076493 /nfs/dbraw/zinc/07/64/93/201076493.db2.gz LKRVGFYSOUCKGF-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CCc1cnc(C[N@H+](C)CCC(C)(C)C#N)s1 ZINC000119961969 370726586 /nfs/dbraw/zinc/72/65/86/370726586.db2.gz OCMSEBFLVWDPHV-UHFFFAOYSA-N 1 2 251.399 3.077 20 30 CGEDLO CCc1cnc(C[N@@H+](C)CCC(C)(C)C#N)s1 ZINC000119961969 370726590 /nfs/dbraw/zinc/72/65/90/370726590.db2.gz OCMSEBFLVWDPHV-UHFFFAOYSA-N 1 2 251.399 3.077 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451118107 240221245 /nfs/dbraw/zinc/22/12/45/240221245.db2.gz WZKMAYXUXMQNKT-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451118107 240221250 /nfs/dbraw/zinc/22/12/50/240221250.db2.gz WZKMAYXUXMQNKT-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO CN1CC[N@H+](Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000034790058 368977883 /nfs/dbraw/zinc/97/78/83/368977883.db2.gz HCOYHEVTPZHNQM-IBGZPJMESA-N 1 2 291.398 3.047 20 30 CGEDLO CN1CC[N@@H+](Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000034790058 368977886 /nfs/dbraw/zinc/97/78/86/368977886.db2.gz HCOYHEVTPZHNQM-IBGZPJMESA-N 1 2 291.398 3.047 20 30 CGEDLO C[N@H+](Cc1ccccc1F)Cc1ccccc1C#N ZINC000042268110 369210180 /nfs/dbraw/zinc/21/01/80/369210180.db2.gz NVRQBFUWPJKOTC-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO C[N@@H+](Cc1ccccc1F)Cc1ccccc1C#N ZINC000042268110 369210187 /nfs/dbraw/zinc/21/01/87/369210187.db2.gz NVRQBFUWPJKOTC-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000127591930 370954607 /nfs/dbraw/zinc/95/46/07/370954607.db2.gz DWZZVMROPGQPDK-UHFFFAOYSA-N 1 2 272.270 3.163 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000127591930 370954610 /nfs/dbraw/zinc/95/46/10/370954610.db2.gz DWZZVMROPGQPDK-UHFFFAOYSA-N 1 2 272.270 3.163 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1O ZINC000127635374 370954655 /nfs/dbraw/zinc/95/46/55/370954655.db2.gz VNWOWNMQKPLUDK-UHFFFAOYSA-N 1 2 273.163 3.435 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc(Cl)c1O ZINC000127635374 370954659 /nfs/dbraw/zinc/95/46/59/370954659.db2.gz VNWOWNMQKPLUDK-UHFFFAOYSA-N 1 2 273.163 3.435 20 30 CGEDLO C#CC[N@@H+](Cn1cccnc1=S)[C@H]1CCc2ccccc21 ZINC000054516480 369503081 /nfs/dbraw/zinc/50/30/81/369503081.db2.gz QQTXMQDCBDCXSA-INIZCTEOSA-N 1 2 295.411 3.193 20 30 CGEDLO C#CC[N@H+](Cn1cccnc1=S)[C@H]1CCc2ccccc21 ZINC000054516480 369503084 /nfs/dbraw/zinc/50/30/84/369503084.db2.gz QQTXMQDCBDCXSA-INIZCTEOSA-N 1 2 295.411 3.193 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(Cl)ccc1C ZINC000066215735 369689682 /nfs/dbraw/zinc/68/96/82/369689682.db2.gz QZLLXZGVHZJQEN-UHFFFAOYSA-N 1 2 278.783 3.261 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1sccc1Br ZINC000087575602 370027479 /nfs/dbraw/zinc/02/74/79/370027479.db2.gz XPNWXWXQSMSHMT-MRVPVSSYSA-N 1 2 273.199 3.292 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)C[C@H](C)C#N ZINC000091983061 370085604 /nfs/dbraw/zinc/08/56/04/370085604.db2.gz CYCYNOIWUGXPES-LLVKDONJSA-N 1 2 296.798 3.339 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C[C@H](C)C#N ZINC000091983061 370085607 /nfs/dbraw/zinc/08/56/07/370085607.db2.gz CYCYNOIWUGXPES-LLVKDONJSA-N 1 2 296.798 3.339 20 30 CGEDLO C=CC[N@@H+](Cc1c[nH]nc1C)Cc1ccccc1F ZINC000092404685 370096910 /nfs/dbraw/zinc/09/69/10/370096910.db2.gz VEUSUOSEQDKFIH-UHFFFAOYSA-N 1 2 259.328 3.045 20 30 CGEDLO C=CC[N@H+](Cc1c[nH]nc1C)Cc1ccccc1F ZINC000092404685 370096911 /nfs/dbraw/zinc/09/69/11/370096911.db2.gz VEUSUOSEQDKFIH-UHFFFAOYSA-N 1 2 259.328 3.045 20 30 CGEDLO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC#N)cc1OC ZINC000101908207 370297874 /nfs/dbraw/zinc/29/78/74/370297874.db2.gz PMGUMIZELCEYSO-HNNXBMFYSA-N 1 2 288.391 3.014 20 30 CGEDLO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC#N)cc1OC ZINC000101908207 370297879 /nfs/dbraw/zinc/29/78/79/370297879.db2.gz PMGUMIZELCEYSO-HNNXBMFYSA-N 1 2 288.391 3.014 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)ccn1 ZINC000106933357 370353748 /nfs/dbraw/zinc/35/37/48/370353748.db2.gz WIWFVTAPOWHYKG-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)ccn1 ZINC000106933357 370353749 /nfs/dbraw/zinc/35/37/49/370353749.db2.gz WIWFVTAPOWHYKG-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO CC(C)[N@H+](CCCOc1cccc(C#N)c1)CC(F)F ZINC000135406995 371423622 /nfs/dbraw/zinc/42/36/22/371423622.db2.gz ZXQBHYMYMDPHFA-UHFFFAOYSA-N 1 2 282.334 3.303 20 30 CGEDLO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CC(F)F ZINC000135406995 371423629 /nfs/dbraw/zinc/42/36/29/371423629.db2.gz ZXQBHYMYMDPHFA-UHFFFAOYSA-N 1 2 282.334 3.303 20 30 CGEDLO Cc1ccc(C[C@@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)s1 ZINC000150936941 371551331 /nfs/dbraw/zinc/55/13/31/371551331.db2.gz LRYVORQRGFTEAL-PTPOTIKZSA-N 1 2 291.372 3.223 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000154307636 371834002 /nfs/dbraw/zinc/83/40/02/371834002.db2.gz SMLHJBYVJQDEIO-UHFFFAOYSA-N 1 2 297.314 3.224 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000154307636 371834011 /nfs/dbraw/zinc/83/40/11/371834011.db2.gz SMLHJBYVJQDEIO-UHFFFAOYSA-N 1 2 297.314 3.224 20 30 CGEDLO N#CC[N@@H+](CCCOc1ccc(F)cc1)C1CCCC1 ZINC000156647904 371989880 /nfs/dbraw/zinc/98/98/80/371989880.db2.gz QFFDNXNXSWDOLD-UHFFFAOYSA-N 1 2 276.355 3.363 20 30 CGEDLO N#CC[N@H+](CCCOc1ccc(F)cc1)C1CCCC1 ZINC000156647904 371989882 /nfs/dbraw/zinc/98/98/82/371989882.db2.gz QFFDNXNXSWDOLD-UHFFFAOYSA-N 1 2 276.355 3.363 20 30 CGEDLO C=CCCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000292191306 372183508 /nfs/dbraw/zinc/18/35/08/372183508.db2.gz PCIMIJAORCLXBL-CQSZACIVSA-N 1 2 262.401 3.372 20 30 CGEDLO CCN(CC)c1ccc(CNc2nc(C)ccc2C#N)c[nH+]1 ZINC000160633184 372264202 /nfs/dbraw/zinc/26/42/02/372264202.db2.gz GVCSJLYDHNKRKR-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000292973697 372264481 /nfs/dbraw/zinc/26/44/81/372264481.db2.gz AUKZIDXAYFMFBB-OAHLLOKOSA-N 1 2 286.419 3.401 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000292973697 372264486 /nfs/dbraw/zinc/26/44/86/372264486.db2.gz AUKZIDXAYFMFBB-OAHLLOKOSA-N 1 2 286.419 3.401 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000162021304 372368282 /nfs/dbraw/zinc/36/82/82/372368282.db2.gz RLXBSZHWWLBSBJ-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000162021304 372368286 /nfs/dbraw/zinc/36/82/86/372368286.db2.gz RLXBSZHWWLBSBJ-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000293586421 372418211 /nfs/dbraw/zinc/41/82/11/372418211.db2.gz YUYDINQDOKQEFR-INIZCTEOSA-N 1 2 295.390 3.088 20 30 CGEDLO C=C(C)CN(CC)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000432318374 372559320 /nfs/dbraw/zinc/55/93/20/372559320.db2.gz RBSDBMXKYKMWDK-AWEZNQCLSA-N 1 2 274.412 3.115 20 30 CGEDLO C=C(C)CN(CC)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000432318374 372559322 /nfs/dbraw/zinc/55/93/22/372559322.db2.gz RBSDBMXKYKMWDK-AWEZNQCLSA-N 1 2 274.412 3.115 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432745514 372572301 /nfs/dbraw/zinc/57/23/01/372572301.db2.gz UPBFFJYJAHNWEK-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432745514 372572307 /nfs/dbraw/zinc/57/23/07/372572307.db2.gz UPBFFJYJAHNWEK-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO N#CCCC[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC000433018701 372578459 /nfs/dbraw/zinc/57/84/59/372578459.db2.gz IYPYWTDTNJDKPO-HNNXBMFYSA-N 1 2 296.374 3.472 20 30 CGEDLO N#Cc1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000170709312 372652033 /nfs/dbraw/zinc/65/20/33/372652033.db2.gz JAVHGHFNERARPQ-AWEZNQCLSA-N 1 2 295.346 3.040 20 30 CGEDLO C=CCOCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000294647674 372664110 /nfs/dbraw/zinc/66/41/10/372664110.db2.gz QJADOGPNPYYHRG-OAHLLOKOSA-N 1 2 299.773 3.055 20 30 CGEDLO C=CCOCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000294647674 372664116 /nfs/dbraw/zinc/66/41/16/372664116.db2.gz QJADOGPNPYYHRG-OAHLLOKOSA-N 1 2 299.773 3.055 20 30 CGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCCC#N)o1 ZINC000171033507 372702271 /nfs/dbraw/zinc/70/22/71/372702271.db2.gz DXZDYZYGQJMBJF-INIZCTEOSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCCC#N)o1 ZINC000171033507 372702275 /nfs/dbraw/zinc/70/22/75/372702275.db2.gz DXZDYZYGQJMBJF-INIZCTEOSA-N 1 2 296.374 3.171 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000437543646 372852043 /nfs/dbraw/zinc/85/20/43/372852043.db2.gz GNYIODIBQAZWDP-QGZVFWFLSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)C[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000437543646 372852048 /nfs/dbraw/zinc/85/20/48/372852048.db2.gz GNYIODIBQAZWDP-QGZVFWFLSA-N 1 2 291.822 3.438 20 30 CGEDLO N#Cc1cccc(NCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438320980 372924648 /nfs/dbraw/zinc/92/46/48/372924648.db2.gz LEQAUYQEQBMYHS-UHFFFAOYSA-N 1 2 288.354 3.415 20 30 CGEDLO C=CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439032559 372971880 /nfs/dbraw/zinc/97/18/80/372971880.db2.gz GHZDEMASQFANPO-UHFFFAOYSA-N 1 2 296.374 3.194 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)c(C)c2)n1 ZINC000353547297 220151038 /nfs/dbraw/zinc/15/10/38/220151038.db2.gz YAWWYWYWABPCGH-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)c(C)c2)n1 ZINC000353547297 220151040 /nfs/dbraw/zinc/15/10/40/220151040.db2.gz YAWWYWYWABPCGH-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO C=CCCCNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000447968928 373532266 /nfs/dbraw/zinc/53/22/66/373532266.db2.gz SWAYHCIZUMCTDF-UHFFFAOYSA-N 1 2 289.423 3.168 20 30 CGEDLO C=CCCCNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000447968928 373532273 /nfs/dbraw/zinc/53/22/73/373532273.db2.gz SWAYHCIZUMCTDF-UHFFFAOYSA-N 1 2 289.423 3.168 20 30 CGEDLO COc1cc(C)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000449036695 373656596 /nfs/dbraw/zinc/65/65/96/373656596.db2.gz KXTCCYWEWBFAHN-CYBMUJFWSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1cc(C)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000449036695 373656599 /nfs/dbraw/zinc/65/65/99/373656599.db2.gz KXTCCYWEWBFAHN-CYBMUJFWSA-N 1 2 258.365 3.128 20 30 CGEDLO C=CCOc1ccc(C[NH2+]C(CF)CF)cc1Cl ZINC000449377934 373685044 /nfs/dbraw/zinc/68/50/44/373685044.db2.gz BZAPVVRZXXZYLP-UHFFFAOYSA-N 1 2 275.726 3.302 20 30 CGEDLO C=C(C)COCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000301695596 373799305 /nfs/dbraw/zinc/79/93/05/373799305.db2.gz ZTKVJDGBCDMWDA-UHFFFAOYSA-N 1 2 298.390 3.160 20 30 CGEDLO C=CCC1(C(=O)NCc2[nH+]ccn2CC(C)C)CCCC1 ZINC000449933976 373976688 /nfs/dbraw/zinc/97/66/88/373976688.db2.gz GKXWWWOSCNLSHM-UHFFFAOYSA-N 1 2 289.423 3.292 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000328804619 374384075 /nfs/dbraw/zinc/38/40/75/374384075.db2.gz CUPWIQVAKIFZTQ-RWMBFGLXSA-N 1 2 261.369 3.382 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c1 ZINC000329617631 374415897 /nfs/dbraw/zinc/41/58/97/374415897.db2.gz QGDGQQTVQLGFRM-WMLDXEAASA-N 1 2 297.358 3.102 20 30 CGEDLO Cn1c[nH+]cc1CSc1cccc(Cl)c1C#N ZINC000334236720 206232947 /nfs/dbraw/zinc/23/29/47/206232947.db2.gz ICZFPCLJDZOJGY-UHFFFAOYSA-N 1 2 263.753 3.237 20 30 CGEDLO Cc1cc([NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1N1CCOCC1 ZINC000185896597 374763394 /nfs/dbraw/zinc/76/33/94/374763394.db2.gz UALGTPMWXVMKAT-JKSUJKDBSA-N 1 2 299.418 3.326 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000186009255 374785177 /nfs/dbraw/zinc/78/51/77/374785177.db2.gz QGLPMUIUZKOAHR-STQMWFEESA-N 1 2 261.369 3.066 20 30 CGEDLO Cn1c2c([nH+]c1[C@H]1CCCN1CC1(C#N)CCC1)CCCC2 ZINC000334620351 374912405 /nfs/dbraw/zinc/91/24/05/374912405.db2.gz PTQWZQASABBBGZ-MRXNPFEDSA-N 1 2 298.434 3.130 20 30 CGEDLO C[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1C#N ZINC000187328181 375003432 /nfs/dbraw/zinc/00/34/32/375003432.db2.gz QYLSBYUEWNLBCA-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1C#N ZINC000187328181 375003439 /nfs/dbraw/zinc/00/34/39/375003439.db2.gz QYLSBYUEWNLBCA-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000187747083 375085104 /nfs/dbraw/zinc/08/51/04/375085104.db2.gz DWEIEMZJDMTSHO-QGZVFWFLSA-N 1 2 299.374 3.244 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000483488837 375181595 /nfs/dbraw/zinc/18/15/95/375181595.db2.gz DOGLNMDNDZXSOS-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000483488837 375181598 /nfs/dbraw/zinc/18/15/98/375181598.db2.gz DOGLNMDNDZXSOS-UHFFFAOYSA-N 1 2 289.806 3.337 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2ccc(C3CC3)cc2F)n1 ZINC000491560411 375331155 /nfs/dbraw/zinc/33/11/55/375331155.db2.gz OZNMCPZQHBHKSY-UHFFFAOYSA-N 1 2 287.363 3.321 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C(C)C)s1)C1CCCC1 ZINC000491777012 375341430 /nfs/dbraw/zinc/34/14/30/375341430.db2.gz GXFBKBSTQXSYOZ-UHFFFAOYSA-N 1 2 263.410 3.039 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C(C)C)s1)C1CCCC1 ZINC000491777012 375341435 /nfs/dbraw/zinc/34/14/35/375341435.db2.gz GXFBKBSTQXSYOZ-UHFFFAOYSA-N 1 2 263.410 3.039 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000491807147 375344909 /nfs/dbraw/zinc/34/49/09/375344909.db2.gz BRTBGZLLKVWCNB-OAHLLOKOSA-N 1 2 270.332 3.223 20 30 CGEDLO CCC[N@@H+](CC#N)CCCOc1c(C)cccc1C ZINC000496838418 375560940 /nfs/dbraw/zinc/56/09/40/375560940.db2.gz KOXAZHCRLYZXFQ-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO CCC[N@H+](CC#N)CCCOc1c(C)cccc1C ZINC000496838418 375560947 /nfs/dbraw/zinc/56/09/47/375560947.db2.gz KOXAZHCRLYZXFQ-UHFFFAOYSA-N 1 2 260.381 3.308 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000505863209 375661886 /nfs/dbraw/zinc/66/18/86/375661886.db2.gz ANLIMXXBWUQRAY-UHFFFAOYSA-N 1 2 290.436 3.397 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000516191210 375817857 /nfs/dbraw/zinc/81/78/57/375817857.db2.gz BNNYALCXUUWLLY-KOLCDFICSA-N 1 2 297.761 3.088 20 30 CGEDLO C/C(Cl)=C/C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000528512836 375903315 /nfs/dbraw/zinc/90/33/15/375903315.db2.gz NUDLMCPBKFRCAU-IUAVZTLVSA-N 1 2 260.768 3.368 20 30 CGEDLO C/C(Cl)=C/C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000528512836 375903322 /nfs/dbraw/zinc/90/33/22/375903322.db2.gz NUDLMCPBKFRCAU-IUAVZTLVSA-N 1 2 260.768 3.368 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1C ZINC000336855974 376013507 /nfs/dbraw/zinc/01/35/07/376013507.db2.gz JPQHDEHARKRBID-MSOLQXFVSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nn1C ZINC000336855974 376013511 /nfs/dbraw/zinc/01/35/11/376013511.db2.gz JPQHDEHARKRBID-MSOLQXFVSA-N 1 2 294.402 3.000 20 30 CGEDLO CCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000536389091 376089893 /nfs/dbraw/zinc/08/98/93/376089893.db2.gz VQVMSNFANZFSSZ-UHFFFAOYSA-N 1 2 290.370 3.352 20 30 CGEDLO C=CC[N@H+](Cc1csc(Nc2ccccc2)n1)C1CC1 ZINC000536742487 376128973 /nfs/dbraw/zinc/12/89/73/376128973.db2.gz NWSVRJNQJNSFHM-UHFFFAOYSA-N 1 2 285.416 3.459 20 30 CGEDLO C=CC[N@@H+](Cc1csc(Nc2ccccc2)n1)C1CC1 ZINC000536742487 376128976 /nfs/dbraw/zinc/12/89/76/376128976.db2.gz NWSVRJNQJNSFHM-UHFFFAOYSA-N 1 2 285.416 3.459 20 30 CGEDLO CCC[C@@H](C)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000538308390 376231878 /nfs/dbraw/zinc/23/18/78/376231878.db2.gz OQZNJKDTKTVNMO-AEFFLSMTSA-N 1 2 285.435 3.133 20 30 CGEDLO CCC[C@@H](C)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000538308390 376231883 /nfs/dbraw/zinc/23/18/83/376231883.db2.gz OQZNJKDTKTVNMO-AEFFLSMTSA-N 1 2 285.435 3.133 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000338293099 376321095 /nfs/dbraw/zinc/32/10/95/376321095.db2.gz VKYWOJFXYBTSAK-BDAKNGLRSA-N 1 2 290.367 3.269 20 30 CGEDLO CCc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)on1 ZINC000540976460 376410533 /nfs/dbraw/zinc/41/05/33/376410533.db2.gz FOPGQLCDFNQEKR-JTQLQIEISA-N 1 2 273.311 3.099 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(C)s1 ZINC000230687041 376532585 /nfs/dbraw/zinc/53/25/85/376532585.db2.gz ZMMSYDXUMYLLOG-UHFFFAOYSA-N 1 2 274.389 3.306 20 30 CGEDLO Cc1cc(NCc2ccc(CC#N)cc2)nc(C(C)C)[nH+]1 ZINC000564904135 377481160 /nfs/dbraw/zinc/48/11/60/377481160.db2.gz HWBHGUMQJLJTCL-UHFFFAOYSA-N 1 2 280.375 3.009 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1csc(Nc2ccccc2)n1 ZINC000566429680 377496673 /nfs/dbraw/zinc/49/66/73/377496673.db2.gz WLGHSVBWDIEEHY-GFCCVEGCSA-N 1 2 286.404 3.090 20 30 CGEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000568289822 377517470 /nfs/dbraw/zinc/51/74/70/377517470.db2.gz QNMKEBYESPDMHV-GFCCVEGCSA-N 1 2 296.374 3.028 20 30 CGEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000568289822 377517476 /nfs/dbraw/zinc/51/74/76/377517476.db2.gz QNMKEBYESPDMHV-GFCCVEGCSA-N 1 2 296.374 3.028 20 30 CGEDLO C=CCC[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000342733291 377762541 /nfs/dbraw/zinc/76/25/41/377762541.db2.gz MSHKTROKBFWHGH-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO C=CCC[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000342733291 377762548 /nfs/dbraw/zinc/76/25/48/377762548.db2.gz MSHKTROKBFWHGH-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(SC)c(OC)c1 ZINC000266924463 378029334 /nfs/dbraw/zinc/02/93/34/378029334.db2.gz MWWIUUDPDUYVPZ-UHFFFAOYSA-N 1 2 264.394 3.153 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(SC)c(OC)c1 ZINC000266924463 378029339 /nfs/dbraw/zinc/02/93/39/378029339.db2.gz MWWIUUDPDUYVPZ-UHFFFAOYSA-N 1 2 264.394 3.153 20 30 CGEDLO C[C@H](CC#N)Sc1ccccc1NCc1c[nH+]cn1C ZINC000268501486 378067622 /nfs/dbraw/zinc/06/76/22/378067622.db2.gz XMQIHKMIXWZQIJ-GFCCVEGCSA-N 1 2 286.404 3.426 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)CCC1 ZINC000344085891 378158528 /nfs/dbraw/zinc/15/85/28/378158528.db2.gz NEOSFXMWUVHDGT-UHFFFAOYSA-N 1 2 298.390 3.314 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000269637304 378247195 /nfs/dbraw/zinc/24/71/95/378247195.db2.gz NGMPLJBGNNSJIF-JTQLQIEISA-N 1 2 270.170 3.294 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000269637304 378247198 /nfs/dbraw/zinc/24/71/98/378247198.db2.gz NGMPLJBGNNSJIF-JTQLQIEISA-N 1 2 270.170 3.294 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270318373 378334151 /nfs/dbraw/zinc/33/41/51/378334151.db2.gz HTUCKKMCLAUMKT-TVQRCGJNSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270318373 378334155 /nfs/dbraw/zinc/33/41/55/378334155.db2.gz HTUCKKMCLAUMKT-TVQRCGJNSA-N 1 2 287.190 3.261 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2([C@H](C)CCO)CCC2)c1O ZINC000271798866 378504428 /nfs/dbraw/zinc/50/44/28/378504428.db2.gz KQXFYTOYBQYNFG-VBEHJTROSA-N 1 2 291.391 3.009 20 30 CGEDLO N#Cc1ccc(Cl)cc1NCCNc1cccc[nH+]1 ZINC000346379866 378562509 /nfs/dbraw/zinc/56/25/09/378562509.db2.gz ZXVOUVWMXKKASN-UHFFFAOYSA-N 1 2 272.739 3.131 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(C)C)no1 ZINC000272239128 378592601 /nfs/dbraw/zinc/59/26/01/378592601.db2.gz GGSBEKRLDZOEFI-UHFFFAOYSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(C)C)no1 ZINC000272239128 378592608 /nfs/dbraw/zinc/59/26/08/378592608.db2.gz GGSBEKRLDZOEFI-UHFFFAOYSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccc(OC)cc1Br ZINC000348183802 378827753 /nfs/dbraw/zinc/82/77/53/378827753.db2.gz DLXJHLVGZVOSOZ-UHFFFAOYSA-N 1 2 270.170 3.076 20 30 CGEDLO C=CC[N@H+](C)Cc1ccc(OC)cc1Br ZINC000348183802 378827759 /nfs/dbraw/zinc/82/77/59/378827759.db2.gz DLXJHLVGZVOSOZ-UHFFFAOYSA-N 1 2 270.170 3.076 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638909931 378949397 /nfs/dbraw/zinc/94/93/97/378949397.db2.gz LAFDLEOEIOEBOI-UHFFFAOYSA-N 1 2 282.391 3.153 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638909931 378949400 /nfs/dbraw/zinc/94/94/00/378949400.db2.gz LAFDLEOEIOEBOI-UHFFFAOYSA-N 1 2 282.391 3.153 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000277141908 379080518 /nfs/dbraw/zinc/08/05/18/379080518.db2.gz DTPFCAFRLRVNJI-VXGBXAGGSA-N 1 2 283.379 3.041 20 30 CGEDLO N#CCCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000375278771 379490615 /nfs/dbraw/zinc/49/06/15/379490615.db2.gz DCPJRCBWMYGNKW-CQSZACIVSA-N 1 2 268.282 3.139 20 30 CGEDLO N#CCCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000375278771 379490622 /nfs/dbraw/zinc/49/06/22/379490622.db2.gz DCPJRCBWMYGNKW-CQSZACIVSA-N 1 2 268.282 3.139 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ccon2)cc1 ZINC000351571919 379727026 /nfs/dbraw/zinc/72/70/26/379727026.db2.gz BCGTWGMDIITZMA-GFCCVEGCSA-N 1 2 258.321 3.090 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000352470929 379829426 /nfs/dbraw/zinc/82/94/26/379829426.db2.gz OMPUBBHRFFOCJJ-UHFFFAOYSA-N 1 2 283.375 3.204 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000352459473 379825820 /nfs/dbraw/zinc/82/58/20/379825820.db2.gz ZCOLUDHLHYDAAS-UHFFFAOYSA-N 1 2 285.322 3.169 20 30 CGEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352810360 379974155 /nfs/dbraw/zinc/97/41/55/379974155.db2.gz MMCYQJDPNZQQIW-VIFPVBQESA-N 1 2 291.351 3.013 20 30 CGEDLO CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)C[C@@H](C)C#N ZINC000411211420 380136752 /nfs/dbraw/zinc/13/67/52/380136752.db2.gz SGFANHHCQVAQKQ-LBPRGKRZSA-N 1 2 287.338 3.462 20 30 CGEDLO CC[N@H+](Cc1ccc(-c2ncco2)cc1F)C[C@@H](C)C#N ZINC000411211420 380136759 /nfs/dbraw/zinc/13/67/59/380136759.db2.gz SGFANHHCQVAQKQ-LBPRGKRZSA-N 1 2 287.338 3.462 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1nnc(CC)o1 ZINC000411143358 380131893 /nfs/dbraw/zinc/13/18/93/380131893.db2.gz YSDGWOKJXHGERA-NSHDSACASA-N 1 2 277.393 3.443 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1nnc(CC)o1 ZINC000411143358 380131901 /nfs/dbraw/zinc/13/19/01/380131901.db2.gz YSDGWOKJXHGERA-NSHDSACASA-N 1 2 277.393 3.443 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1nnc(CC)o1 ZINC000411194889 380133058 /nfs/dbraw/zinc/13/30/58/380133058.db2.gz RFTQQYJUKASCAO-CYBMUJFWSA-N 1 2 296.374 3.253 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1nnc(CC)o1 ZINC000411194889 380133067 /nfs/dbraw/zinc/13/30/67/380133067.db2.gz RFTQQYJUKASCAO-CYBMUJFWSA-N 1 2 296.374 3.253 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NCCCC ZINC000411180284 380134324 /nfs/dbraw/zinc/13/43/24/380134324.db2.gz DEYYGWZRRIMOBN-CQSZACIVSA-N 1 2 292.398 3.119 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NCCCC ZINC000411180284 380134327 /nfs/dbraw/zinc/13/43/27/380134327.db2.gz DEYYGWZRRIMOBN-CQSZACIVSA-N 1 2 292.398 3.119 20 30 CGEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1nnc(C)[nH]1)c1ccc(F)c(F)c1 ZINC000411551629 380151516 /nfs/dbraw/zinc/15/15/16/380151516.db2.gz FEMZJFQWTQNKIJ-LKFCYVNXSA-N 1 2 292.333 3.359 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000354035581 380292242 /nfs/dbraw/zinc/29/22/42/380292242.db2.gz ZKUWSDBIGZVPDJ-GFCCVEGCSA-N 1 2 298.365 3.340 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000354035581 380292252 /nfs/dbraw/zinc/29/22/52/380292252.db2.gz ZKUWSDBIGZVPDJ-GFCCVEGCSA-N 1 2 298.365 3.340 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951841 380863508 /nfs/dbraw/zinc/86/35/08/380863508.db2.gz RFDNKFLXFGKBSA-NWDGAFQWSA-N 1 2 273.302 3.094 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951841 380863513 /nfs/dbraw/zinc/86/35/13/380863513.db2.gz RFDNKFLXFGKBSA-NWDGAFQWSA-N 1 2 273.302 3.094 20 30 CGEDLO CC[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H](CC)O1 ZINC000421394804 380943561 /nfs/dbraw/zinc/94/35/61/380943561.db2.gz TXRJXOSSHASECJ-RYUDHWBXSA-N 1 2 264.394 3.009 20 30 CGEDLO N#Cc1ccc(CNc2cc[nH+]cc2F)c(C(F)(F)F)c1 ZINC000357708877 381259470 /nfs/dbraw/zinc/25/94/70/381259470.db2.gz LTLLWJOQWKMKFP-UHFFFAOYSA-N 1 2 295.239 3.145 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000358297522 381301993 /nfs/dbraw/zinc/30/19/93/381301993.db2.gz KUKKFHPFKOHXPO-GFCCVEGCSA-N 1 2 286.297 3.410 20 30 CGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000362278705 381927634 /nfs/dbraw/zinc/92/76/34/381927634.db2.gz GLUFEDSWVWQSNJ-KRWDZBQOSA-N 1 2 298.365 3.076 20 30 CGEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000362278705 381927645 /nfs/dbraw/zinc/92/76/45/381927645.db2.gz GLUFEDSWVWQSNJ-KRWDZBQOSA-N 1 2 298.365 3.076 20 30 CGEDLO C[C@@H]1SCC[N@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000362300116 381934464 /nfs/dbraw/zinc/93/44/64/381934464.db2.gz SLJMAQKEKCTBIE-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1SCC[N@@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000362300116 381934472 /nfs/dbraw/zinc/93/44/72/381934472.db2.gz SLJMAQKEKCTBIE-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO Cc1ccc(C2CCN(c3ccc(C#N)nc3)CC2)c[nH+]1 ZINC000364710004 382275710 /nfs/dbraw/zinc/27/57/10/382275710.db2.gz NFOZCBMXLQONLI-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3F)CCO2)c1 ZINC000367128815 382333842 /nfs/dbraw/zinc/33/38/42/382333842.db2.gz HSHZOFMNHLPVQI-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3F)CCO2)c1 ZINC000367128815 382333865 /nfs/dbraw/zinc/33/38/65/382333865.db2.gz HSHZOFMNHLPVQI-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093982766 392240662 /nfs/dbraw/zinc/24/06/62/392240662.db2.gz BTNRNMVSRZJMAO-SECBINFHSA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093982766 392240664 /nfs/dbraw/zinc/24/06/64/392240664.db2.gz BTNRNMVSRZJMAO-SECBINFHSA-N 1 2 285.160 3.322 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccnc1C ZINC000092541662 392233118 /nfs/dbraw/zinc/23/31/18/392233118.db2.gz AOLYVGLFCRFFGL-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccnc1C ZINC000092541662 392233121 /nfs/dbraw/zinc/23/31/21/392233121.db2.gz AOLYVGLFCRFFGL-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO COc1ccc2oc(C[N@H+](C)[C@H](C)CC#N)cc2c1 ZINC000093091184 392233886 /nfs/dbraw/zinc/23/38/86/392233886.db2.gz RWWCRPHSGROUCE-LLVKDONJSA-N 1 2 258.321 3.175 20 30 CGEDLO COc1ccc2oc(C[N@@H+](C)[C@H](C)CC#N)cc2c1 ZINC000093091184 392233892 /nfs/dbraw/zinc/23/38/92/392233892.db2.gz RWWCRPHSGROUCE-LLVKDONJSA-N 1 2 258.321 3.175 20 30 CGEDLO C=CCCC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000283013177 392299303 /nfs/dbraw/zinc/29/93/03/392299303.db2.gz WSHHTPDVBQEJPY-UHFFFAOYSA-N 1 2 283.375 3.033 20 30 CGEDLO C#Cc1ccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)cc1 ZINC000289175797 392415482 /nfs/dbraw/zinc/41/54/82/392415482.db2.gz FQQPLKASXHUMIW-UHFFFAOYSA-N 1 2 295.386 3.309 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)no1 ZINC000367007698 392460276 /nfs/dbraw/zinc/46/02/76/392460276.db2.gz SCVBZPMRTFSYQZ-LBPRGKRZSA-N 1 2 276.384 3.099 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)no1 ZINC000367007698 392460284 /nfs/dbraw/zinc/46/02/84/392460284.db2.gz SCVBZPMRTFSYQZ-LBPRGKRZSA-N 1 2 276.384 3.099 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cc(C#N)cs2)c(C)[nH+]1 ZINC000176906924 392657938 /nfs/dbraw/zinc/65/79/38/392657938.db2.gz YIOQWHRXBOXSJF-UHFFFAOYSA-N 1 2 271.345 3.192 20 30 CGEDLO N#CCc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338328468 392909331 /nfs/dbraw/zinc/90/93/31/392909331.db2.gz SYPUSEVRTSVVBD-UHFFFAOYSA-N 1 2 296.345 3.286 20 30 CGEDLO N#CCc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000338328468 392909337 /nfs/dbraw/zinc/90/93/37/392909337.db2.gz SYPUSEVRTSVVBD-UHFFFAOYSA-N 1 2 296.345 3.286 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411651459 392983570 /nfs/dbraw/zinc/98/35/70/392983570.db2.gz CQSOBAFQUZWFON-CQSZACIVSA-N 1 2 288.391 3.057 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411651459 392983581 /nfs/dbraw/zinc/98/35/81/392983581.db2.gz CQSOBAFQUZWFON-CQSZACIVSA-N 1 2 288.391 3.057 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000342840493 393011036 /nfs/dbraw/zinc/01/10/36/393011036.db2.gz RHYASWPSRNOUBV-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342966976 393014918 /nfs/dbraw/zinc/01/49/18/393014918.db2.gz ALNWGUYOHVNJQX-ZDUSSCGKSA-N 1 2 290.411 3.044 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000348717835 393128616 /nfs/dbraw/zinc/12/86/16/393128616.db2.gz VTQSRNDTLARFDB-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO C=CC[C@@H](C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348833030 393132597 /nfs/dbraw/zinc/13/25/97/393132597.db2.gz LJZVXLXSQMYUIY-KGLIPLIRSA-N 1 2 270.380 3.339 20 30 CGEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000649378785 393408615 /nfs/dbraw/zinc/40/86/15/393408615.db2.gz GHHSJBBPTDDHNI-INIZCTEOSA-N 1 2 290.794 3.116 20 30 CGEDLO C=C(C)[C@H](CO)[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000649378785 393408618 /nfs/dbraw/zinc/40/86/18/393408618.db2.gz GHHSJBBPTDDHNI-INIZCTEOSA-N 1 2 290.794 3.116 20 30 CGEDLO Cc1cc(NC(=O)[C@H](C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000428190415 393460824 /nfs/dbraw/zinc/46/08/24/393460824.db2.gz FHYJULPYQHSPQW-GFCCVEGCSA-N 1 2 281.315 3.281 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428414560 393463503 /nfs/dbraw/zinc/46/35/03/393463503.db2.gz QFRPAFAYVMYLMK-DOMZBBRYSA-N 1 2 279.355 3.293 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cnc(C)cn1)c1ccc(F)c(F)c1 ZINC000358985948 393532091 /nfs/dbraw/zinc/53/20/91/393532091.db2.gz KPRLXQYGZSEQSP-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO Cc1nc(N(Cc2ccc(C#N)cc2)CC(C)C)cc[nH+]1 ZINC000360995545 393633227 /nfs/dbraw/zinc/63/32/27/393633227.db2.gz IWSPECKKNRBTSK-UHFFFAOYSA-N 1 2 280.375 3.319 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1OC ZINC000449412820 393880367 /nfs/dbraw/zinc/88/03/67/393880367.db2.gz GTGGHIRRKHFQFH-NSHDSACASA-N 1 2 285.334 3.393 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(F)F ZINC000453250737 394220954 /nfs/dbraw/zinc/22/09/54/394220954.db2.gz SOKIDLUMOWLVFY-OLZOCXBDSA-N 1 2 250.292 3.179 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)CO1 ZINC000649822634 397728989 /nfs/dbraw/zinc/72/89/89/397728989.db2.gz LQBPAUPFVJEBSE-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)CO1 ZINC000649822634 397728992 /nfs/dbraw/zinc/72/89/92/397728992.db2.gz LQBPAUPFVJEBSE-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CCC(C)(C)c1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000650615859 397882250 /nfs/dbraw/zinc/88/22/50/397882250.db2.gz ZWBUAICGRFRHMC-UHFFFAOYSA-N 1 2 286.379 3.047 20 30 CGEDLO C=CCOc1ccccc1CNc1ccc(OC)c[nH+]1 ZINC000676201363 543386068 /nfs/dbraw/zinc/38/60/68/543386068.db2.gz SRQJEVMZLYWURE-UHFFFAOYSA-N 1 2 270.332 3.267 20 30 CGEDLO N#Cc1cc(NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000078655956 287050788 /nfs/dbraw/zinc/05/07/88/287050788.db2.gz PNNYGAWNUYCTFB-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125818581 287251165 /nfs/dbraw/zinc/25/11/65/287251165.db2.gz AHXVRGFURXZMNU-QGZVFWFLSA-N 1 2 288.354 3.161 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000127389977 287286773 /nfs/dbraw/zinc/28/67/73/287286773.db2.gz IBQKFOGRPXAHKV-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000127389977 287286774 /nfs/dbraw/zinc/28/67/74/287286774.db2.gz IBQKFOGRPXAHKV-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C=CCCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000683785520 543942321 /nfs/dbraw/zinc/94/23/21/543942321.db2.gz ZDLGAZUQCNTUAH-MRXNPFEDSA-N 1 2 290.382 3.045 20 30 CGEDLO C=CCCCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1F ZINC000683785520 543942323 /nfs/dbraw/zinc/94/23/23/543942323.db2.gz ZDLGAZUQCNTUAH-MRXNPFEDSA-N 1 2 290.382 3.045 20 30 CGEDLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352834936 227310743 /nfs/dbraw/zinc/31/07/43/227310743.db2.gz MKZSFQWQTQDBMK-LLVKDONJSA-N 1 2 287.388 3.264 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2ccccc2)nn1 ZINC000653483850 419034548 /nfs/dbraw/zinc/03/45/48/419034548.db2.gz CSFWZQAGCVXJQW-CQSZACIVSA-N 1 2 270.380 3.047 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2ccccc2)nn1 ZINC000653483850 419034553 /nfs/dbraw/zinc/03/45/53/419034553.db2.gz CSFWZQAGCVXJQW-CQSZACIVSA-N 1 2 270.380 3.047 20 30 CGEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2C)C2CC2)nn1 ZINC000653510169 419040718 /nfs/dbraw/zinc/04/07/18/419040718.db2.gz PEMXVJXZPQQSOK-UHFFFAOYSA-N 1 2 296.418 3.327 20 30 CGEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2C)C2CC2)nn1 ZINC000653510169 419040723 /nfs/dbraw/zinc/04/07/23/419040723.db2.gz PEMXVJXZPQQSOK-UHFFFAOYSA-N 1 2 296.418 3.327 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656276248 419163610 /nfs/dbraw/zinc/16/36/10/419163610.db2.gz CSAAOJUTDUHQQJ-SRVKXCTJSA-N 1 2 265.319 3.431 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000331431838 228100287 /nfs/dbraw/zinc/10/02/87/228100287.db2.gz UEAAVVFFJARLID-JQWIXIFHSA-N 1 2 273.361 3.185 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000331741454 228122847 /nfs/dbraw/zinc/12/28/47/228122847.db2.gz AVBBRQJSAJLXEZ-GHMZBOCLSA-N 1 2 290.317 3.213 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OCC1CC1 ZINC000352095748 228181947 /nfs/dbraw/zinc/18/19/47/228181947.db2.gz AILRSJUZURGNHN-CYBMUJFWSA-N 1 2 258.365 3.067 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000352095748 228181948 /nfs/dbraw/zinc/18/19/48/228181948.db2.gz AILRSJUZURGNHN-CYBMUJFWSA-N 1 2 258.365 3.067 20 30 CGEDLO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]ncc1Br ZINC000657890031 419410690 /nfs/dbraw/zinc/41/06/90/419410690.db2.gz KRIYZRUKUZFKSG-JQWIXIFHSA-N 1 2 298.228 3.397 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000047979377 260198076 /nfs/dbraw/zinc/19/80/76/260198076.db2.gz OJZBHCHUENAJNP-JTQLQIEISA-N 1 2 256.271 3.297 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000047979377 260198077 /nfs/dbraw/zinc/19/80/77/260198077.db2.gz OJZBHCHUENAJNP-JTQLQIEISA-N 1 2 256.271 3.297 20 30 CGEDLO N#CCSCCCSc1[nH+]cc2ccccn21 ZINC000080708858 260318785 /nfs/dbraw/zinc/31/87/85/260318785.db2.gz CZTKODLXBCDGKN-UHFFFAOYSA-N 1 2 263.391 3.073 20 30 CGEDLO Cc1ccc2c(C[N@H+](CCC#N)CC3CC3)cc(=O)oc2c1 ZINC000081044170 260329428 /nfs/dbraw/zinc/32/94/28/260329428.db2.gz RLQQFGLNQDMFRQ-UHFFFAOYSA-N 1 2 296.370 3.227 20 30 CGEDLO Cc1ccc2c(C[N@@H+](CCC#N)CC3CC3)cc(=O)oc2c1 ZINC000081044170 260329430 /nfs/dbraw/zinc/32/94/30/260329430.db2.gz RLQQFGLNQDMFRQ-UHFFFAOYSA-N 1 2 296.370 3.227 20 30 CGEDLO N#CCC[N@H+](CCc1ccccc1)Cc1ccccn1 ZINC000081160101 260331511 /nfs/dbraw/zinc/33/15/11/260331511.db2.gz PRBIVJOEBPNVQE-UHFFFAOYSA-N 1 2 265.360 3.040 20 30 CGEDLO N#CCC[N@@H+](CCc1ccccc1)Cc1ccccn1 ZINC000081160101 260331513 /nfs/dbraw/zinc/33/15/13/260331513.db2.gz PRBIVJOEBPNVQE-UHFFFAOYSA-N 1 2 265.360 3.040 20 30 CGEDLO FC(F)(F)CO[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000518278696 260367790 /nfs/dbraw/zinc/36/77/90/260367790.db2.gz QKALDUYEIRZGHT-HNNXBMFYSA-N 1 2 297.320 3.081 20 30 CGEDLO FC(F)(F)CO[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000518278696 260367792 /nfs/dbraw/zinc/36/77/92/260367792.db2.gz QKALDUYEIRZGHT-HNNXBMFYSA-N 1 2 297.320 3.081 20 30 CGEDLO CCC(CC)C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448273734 261079862 /nfs/dbraw/zinc/07/98/62/261079862.db2.gz SSNKIAPHMSFGEE-HZPDHXFCSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC(CC)C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448273734 261079864 /nfs/dbraw/zinc/07/98/64/261079864.db2.gz SSNKIAPHMSFGEE-HZPDHXFCSA-N 1 2 264.413 3.350 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCC[C@@H]3OCC[C@@H]32)c1O ZINC000155081916 261098013 /nfs/dbraw/zinc/09/80/13/261098013.db2.gz FOOHCECYDUVPAZ-OKDSCXFJSA-N 1 2 289.375 3.167 20 30 CGEDLO N#CCN(Cc1cn2cc(Cl)ccc2[nH+]1)C1CCCC1 ZINC000156690914 261129891 /nfs/dbraw/zinc/12/98/91/261129891.db2.gz XPFWOPFWTIZHHV-UHFFFAOYSA-N 1 2 288.782 3.256 20 30 CGEDLO COc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)c(OC)c1OC ZINC000185731930 262068422 /nfs/dbraw/zinc/06/84/22/262068422.db2.gz UNRLZHOEECXVBV-RYUDHWBXSA-N 1 2 290.363 3.207 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000338342577 262523807 /nfs/dbraw/zinc/52/38/07/262523807.db2.gz CPGVAGWAQSGMKJ-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000338342577 262523808 /nfs/dbraw/zinc/52/38/08/262523808.db2.gz CPGVAGWAQSGMKJ-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C=CCOCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000339034657 262585908 /nfs/dbraw/zinc/58/59/08/262585908.db2.gz MTCYHYHDZJFWKR-UHFFFAOYSA-N 1 2 290.794 3.382 20 30 CGEDLO C=CCOCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000339034657 262585910 /nfs/dbraw/zinc/58/59/10/262585910.db2.gz MTCYHYHDZJFWKR-UHFFFAOYSA-N 1 2 290.794 3.382 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C)nn1)Cc1ccccc1F ZINC000414378217 262872543 /nfs/dbraw/zinc/87/25/43/262872543.db2.gz GFNMHVNHOASMSO-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C)nn1)Cc1ccccc1F ZINC000414378217 262872545 /nfs/dbraw/zinc/87/25/45/262872545.db2.gz GFNMHVNHOASMSO-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C[N@H+](CCOc1ccccc1Cl)C[C@H](C#N)CCC#N ZINC000267455222 262931649 /nfs/dbraw/zinc/93/16/49/262931649.db2.gz OMTGPOTUJKSPNC-ZDUSSCGKSA-N 1 2 291.782 3.094 20 30 CGEDLO C[N@@H+](CCOc1ccccc1Cl)C[C@H](C#N)CCC#N ZINC000267455222 262931650 /nfs/dbraw/zinc/93/16/50/262931650.db2.gz OMTGPOTUJKSPNC-ZDUSSCGKSA-N 1 2 291.782 3.094 20 30 CGEDLO CC[N@@H+](CC#N)CCCc1ccccc1Br ZINC000273053912 263011918 /nfs/dbraw/zinc/01/19/18/263011918.db2.gz RLWYLVBZJZNAON-UHFFFAOYSA-N 1 2 281.197 3.227 20 30 CGEDLO CC[N@H+](CC#N)CCCc1ccccc1Br ZINC000273053912 263011919 /nfs/dbraw/zinc/01/19/19/263011919.db2.gz RLWYLVBZJZNAON-UHFFFAOYSA-N 1 2 281.197 3.227 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000273522587 263017607 /nfs/dbraw/zinc/01/76/07/263017607.db2.gz QSCJLQXYGSTCMA-CYBMUJFWSA-N 1 2 274.412 3.059 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000273522587 263017608 /nfs/dbraw/zinc/01/76/08/263017608.db2.gz QSCJLQXYGSTCMA-CYBMUJFWSA-N 1 2 274.412 3.059 20 30 CGEDLO N#CC[N@H+](CCCCCOc1ccccc1)C1CC1 ZINC000275697137 263033953 /nfs/dbraw/zinc/03/39/53/263033953.db2.gz KAYFHGPVJLILFY-UHFFFAOYSA-N 1 2 258.365 3.224 20 30 CGEDLO N#CC[N@@H+](CCCCCOc1ccccc1)C1CC1 ZINC000275697137 263033954 /nfs/dbraw/zinc/03/39/54/263033954.db2.gz KAYFHGPVJLILFY-UHFFFAOYSA-N 1 2 258.365 3.224 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000276308814 263035960 /nfs/dbraw/zinc/03/59/60/263035960.db2.gz LLVZCIWMSSTLLU-BZPMIXESSA-N 1 2 264.394 3.202 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000276308814 263035961 /nfs/dbraw/zinc/03/59/61/263035961.db2.gz LLVZCIWMSSTLLU-BZPMIXESSA-N 1 2 264.394 3.202 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000278653979 263049516 /nfs/dbraw/zinc/04/95/16/263049516.db2.gz PZSWIALCVKJBLH-IOASZLSFSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000278653979 263049517 /nfs/dbraw/zinc/04/95/17/263049517.db2.gz PZSWIALCVKJBLH-IOASZLSFSA-N 1 2 290.794 3.406 20 30 CGEDLO N#CC1CCC(CNc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000281532936 263069973 /nfs/dbraw/zinc/06/99/73/263069973.db2.gz AJBKBUWVFCHFMQ-UHFFFAOYSA-N 1 2 285.395 3.040 20 30 CGEDLO N#CC1CCC(CNc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000281532936 263069974 /nfs/dbraw/zinc/06/99/74/263069974.db2.gz AJBKBUWVFCHFMQ-UHFFFAOYSA-N 1 2 285.395 3.040 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1C/[NH+]=C/c1cccc(OCC)c1O ZINC000281696053 263071304 /nfs/dbraw/zinc/07/13/04/263071304.db2.gz GVNIXAYRADVONH-UYKGLAFDSA-N 1 2 289.375 3.191 20 30 CGEDLO C=C(C[NH2+][C@H](c1cccs1)c1nnc[nH]1)c1ccccc1 ZINC000340206071 263092868 /nfs/dbraw/zinc/09/28/68/263092868.db2.gz LHSVOUBSTJERHA-OAHLLOKOSA-N 1 2 296.399 3.259 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H](OC(C)C)c1ccccc1 ZINC000292636739 263133431 /nfs/dbraw/zinc/13/34/31/263133431.db2.gz ZFDSCGVLDVFIKE-INIZCTEOSA-N 1 2 260.381 3.388 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H](OC(C)C)c1ccccc1 ZINC000292636739 263133432 /nfs/dbraw/zinc/13/34/32/263133432.db2.gz ZFDSCGVLDVFIKE-INIZCTEOSA-N 1 2 260.381 3.388 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000292722203 263134553 /nfs/dbraw/zinc/13/45/53/263134553.db2.gz FLOPERSVWMXYCN-UHFFFAOYSA-N 1 2 284.338 3.117 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000292722203 263134554 /nfs/dbraw/zinc/13/45/54/263134554.db2.gz FLOPERSVWMXYCN-UHFFFAOYSA-N 1 2 284.338 3.117 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000299176662 263233500 /nfs/dbraw/zinc/23/35/00/263233500.db2.gz XYJHLSBKVVHECM-GFCCVEGCSA-N 1 2 271.389 3.402 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000299176662 263233502 /nfs/dbraw/zinc/23/35/02/263233502.db2.gz XYJHLSBKVVHECM-GFCCVEGCSA-N 1 2 271.389 3.402 20 30 CGEDLO C=C(CNc1cc[nH+]c2ccncc12)c1ccccc1 ZINC000340869786 263310430 /nfs/dbraw/zinc/31/04/30/263310430.db2.gz FNNWWEQSHQNCGZ-UHFFFAOYSA-N 1 2 261.328 3.177 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Cl)cc2c1OCC2)C1CC1 ZINC000341126005 263323247 /nfs/dbraw/zinc/32/32/47/263323247.db2.gz BVHPODCUXYQGMJ-NSHDSACASA-N 1 2 290.794 3.399 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C1CC1 ZINC000341126005 263323250 /nfs/dbraw/zinc/32/32/50/263323250.db2.gz BVHPODCUXYQGMJ-NSHDSACASA-N 1 2 290.794 3.399 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCCCOC(C)C)c(C)[nH+]1 ZINC000331251141 264180973 /nfs/dbraw/zinc/18/09/73/264180973.db2.gz ZPKQBZJXZFBKDJ-UHFFFAOYSA-N 1 2 279.384 3.148 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000331322775 264189595 /nfs/dbraw/zinc/18/95/95/264189595.db2.gz FMWYIIVIMSXPBH-HOCLYGCPSA-N 1 2 285.391 3.030 20 30 CGEDLO Cc1cc(C)c(NC(=O)NCC(C)(C)CCCO)c(C)[nH+]1 ZINC000331339249 264194575 /nfs/dbraw/zinc/19/45/75/264194575.db2.gz RSUYJLWUMSVTIL-UHFFFAOYSA-N 1 2 293.411 3.131 20 30 CGEDLO CC[C@H]1C[C@@H](C[N@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999558 266228750 /nfs/dbraw/zinc/22/87/50/266228750.db2.gz VECIPQBVXIDLKO-RDJZCZTQSA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@H]1C[C@@H](C[N@@H+](CCC#N)Cc2ccccn2)CCO1 ZINC000356999558 266228755 /nfs/dbraw/zinc/22/87/55/266228755.db2.gz VECIPQBVXIDLKO-RDJZCZTQSA-N 1 2 287.407 3.002 20 30 CGEDLO C=C[C@@H]1CCCCN1c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000362843236 267054057 /nfs/dbraw/zinc/05/40/57/267054057.db2.gz OQUUZYHWMFNEOK-OAHLLOKOSA-N 1 2 280.375 3.392 20 30 CGEDLO CCCn1cc(C[N@H+](CCC#N)CC(CC)CC)cn1 ZINC000119178116 267305288 /nfs/dbraw/zinc/30/52/88/267305288.db2.gz UEUWDANFFGRBHL-UHFFFAOYSA-N 1 2 276.428 3.445 20 30 CGEDLO CCCn1cc(C[N@@H+](CCC#N)CC(CC)CC)cn1 ZINC000119178116 267305290 /nfs/dbraw/zinc/30/52/90/267305290.db2.gz UEUWDANFFGRBHL-UHFFFAOYSA-N 1 2 276.428 3.445 20 30 CGEDLO Cc1cc(N2CC[C@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000399351247 267341679 /nfs/dbraw/zinc/34/16/79/267341679.db2.gz DIOGMIRJMHAUOI-HNNXBMFYSA-N 1 2 263.344 3.256 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000528771171 270172264 /nfs/dbraw/zinc/17/22/64/270172264.db2.gz WTNKJNPOTYXIKV-SNVBAGLBSA-N 1 2 268.282 3.317 20 30 CGEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000528771171 270172265 /nfs/dbraw/zinc/17/22/65/270172265.db2.gz WTNKJNPOTYXIKV-SNVBAGLBSA-N 1 2 268.282 3.317 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@H]2O1 ZINC000440942624 276133767 /nfs/dbraw/zinc/13/37/67/276133767.db2.gz GALDBZVVWNUXMA-HZPDHXFCSA-N 1 2 288.366 3.229 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]2CCC[C@H]2O1 ZINC000440942624 276133768 /nfs/dbraw/zinc/13/37/68/276133768.db2.gz GALDBZVVWNUXMA-HZPDHXFCSA-N 1 2 288.366 3.229 20 30 CGEDLO CC(C)c1cccc2c1CC[N@H+](CC1(C#N)CC1)C2 ZINC000355369424 278057449 /nfs/dbraw/zinc/05/74/49/278057449.db2.gz AEUNJAFLZZFRTR-UHFFFAOYSA-N 1 2 254.377 3.472 20 30 CGEDLO CC(C)c1cccc2c1CC[N@@H+](CC1(C#N)CC1)C2 ZINC000355369424 278057450 /nfs/dbraw/zinc/05/74/50/278057450.db2.gz AEUNJAFLZZFRTR-UHFFFAOYSA-N 1 2 254.377 3.472 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191896170 278110855 /nfs/dbraw/zinc/11/08/55/278110855.db2.gz INARLUSTGKEVSE-GFCCVEGCSA-N 1 2 269.323 3.076 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191896170 278110856 /nfs/dbraw/zinc/11/08/56/278110856.db2.gz INARLUSTGKEVSE-GFCCVEGCSA-N 1 2 269.323 3.076 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631931 279215419 /nfs/dbraw/zinc/21/54/19/279215419.db2.gz XXBYIOAKLBLPEC-RYUDHWBXSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631931 279215421 /nfs/dbraw/zinc/21/54/21/279215421.db2.gz XXBYIOAKLBLPEC-RYUDHWBXSA-N 1 2 261.325 3.137 20 30 CGEDLO Cc1cc(N[C@@H]2CCSc3c(F)cccc32)c(C#N)c[nH+]1 ZINC000425213616 280300331 /nfs/dbraw/zinc/30/03/31/280300331.db2.gz YPBARTPZZRERPI-CQSZACIVSA-N 1 2 299.374 3.472 20 30 CGEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877276 281213019 /nfs/dbraw/zinc/21/30/19/281213019.db2.gz DLMZZCRJIBUISX-FZMZJTMJSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877276 281213020 /nfs/dbraw/zinc/21/30/20/281213020.db2.gz DLMZZCRJIBUISX-FZMZJTMJSA-N 1 2 278.783 3.211 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)nc1 ZINC000555669593 289356315 /nfs/dbraw/zinc/35/63/15/289356315.db2.gz APVFBRNQVUKVQD-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)nc1 ZINC000555669593 289356319 /nfs/dbraw/zinc/35/63/19/289356319.db2.gz APVFBRNQVUKVQD-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000337186661 327951145 /nfs/dbraw/zinc/95/11/45/327951145.db2.gz OZQANVFOKLLTSM-UHFFFAOYSA-N 1 2 269.348 3.031 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339574384 328011759 /nfs/dbraw/zinc/01/17/59/328011759.db2.gz PCLQMSDCGAGZNK-STQMWFEESA-N 1 2 290.432 3.243 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339574384 328011761 /nfs/dbraw/zinc/01/17/61/328011761.db2.gz PCLQMSDCGAGZNK-STQMWFEESA-N 1 2 290.432 3.243 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CC1 ZINC000271182517 328195810 /nfs/dbraw/zinc/19/58/10/328195810.db2.gz XVCNHXMPKDNKBR-CQSZACIVSA-N 1 2 291.420 3.120 20 30 CGEDLO N#CCC[N@H+](Cc1cnc([C@H]2CCCO2)s1)CC1CC1 ZINC000271182517 328195812 /nfs/dbraw/zinc/19/58/12/328195812.db2.gz XVCNHXMPKDNKBR-CQSZACIVSA-N 1 2 291.420 3.120 20 30 CGEDLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000565761739 322090288 /nfs/dbraw/zinc/09/02/88/322090288.db2.gz BLYQTXGKKZVOMZ-LLVKDONJSA-N 1 2 279.347 3.096 20 30 CGEDLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000565761739 322090291 /nfs/dbraw/zinc/09/02/91/322090291.db2.gz BLYQTXGKKZVOMZ-LLVKDONJSA-N 1 2 279.347 3.096 20 30 CGEDLO Cc1ccc(C[NH2+]CCC#N)c(OCCC(C)C)c1 ZINC000583376372 327333400 /nfs/dbraw/zinc/33/34/00/327333400.db2.gz KTHDJFLSWDWTQK-UHFFFAOYSA-N 1 2 260.381 3.423 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000377373003 329012916 /nfs/dbraw/zinc/01/29/16/329012916.db2.gz KGYOKDHWHSFXBP-HOCLYGCPSA-N 1 2 285.416 3.220 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000377373003 329012917 /nfs/dbraw/zinc/01/29/17/329012917.db2.gz KGYOKDHWHSFXBP-HOCLYGCPSA-N 1 2 285.416 3.220 20 30 CGEDLO CC#CCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378458141 329051436 /nfs/dbraw/zinc/05/14/36/329051436.db2.gz XAHQIAHCJWXWCT-UHFFFAOYSA-N 1 2 263.344 3.037 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181767612 329237019 /nfs/dbraw/zinc/23/70/19/329237019.db2.gz RJQPDTNNXHCALJ-UHFFFAOYSA-N 1 2 294.761 3.068 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181767612 329237021 /nfs/dbraw/zinc/23/70/21/329237021.db2.gz RJQPDTNNXHCALJ-UHFFFAOYSA-N 1 2 294.761 3.068 20 30 CGEDLO COc1cc(Br)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000182160640 329240315 /nfs/dbraw/zinc/24/03/15/329240315.db2.gz TXEQPULQURDEIL-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO COc1cc(Br)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000182160640 329240318 /nfs/dbraw/zinc/24/03/18/329240318.db2.gz TXEQPULQURDEIL-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO CC[C@@H](C#N)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000435931737 330665634 /nfs/dbraw/zinc/66/56/34/330665634.db2.gz ZJSKWOUHIQADPV-RDJZCZTQSA-N 1 2 282.391 3.133 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CCCC1 ZINC000449805345 330950847 /nfs/dbraw/zinc/95/08/47/330950847.db2.gz OYFUDZDUWSRSLK-UHFFFAOYSA-N 1 2 297.402 3.395 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C(C)C)s1 ZINC000450885440 331004718 /nfs/dbraw/zinc/00/47/18/331004718.db2.gz UTSVIPSSDNPIQR-LLVKDONJSA-N 1 2 251.399 3.202 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C(C)C)s1 ZINC000450885440 331004719 /nfs/dbraw/zinc/00/47/19/331004719.db2.gz UTSVIPSSDNPIQR-LLVKDONJSA-N 1 2 251.399 3.202 20 30 CGEDLO C=CCC[C@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000450895424 331005624 /nfs/dbraw/zinc/00/56/24/331005624.db2.gz LDTAZAWFLVAELQ-GFCCVEGCSA-N 1 2 274.339 3.421 20 30 CGEDLO C=CCC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCCC1 ZINC000452339995 331062834 /nfs/dbraw/zinc/06/28/34/331062834.db2.gz HBOYFMIDNGVNGY-UHFFFAOYSA-N 1 2 273.380 3.294 20 30 CGEDLO C=CC(C)(C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455517767 331171532 /nfs/dbraw/zinc/17/15/32/331171532.db2.gz LBJBOPBKEJTHIU-UHFFFAOYSA-N 1 2 261.369 3.341 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH+]c(C)cc2C)CCC1 ZINC000456829577 331206458 /nfs/dbraw/zinc/20/64/58/331206458.db2.gz COYLTTGOOOIEDE-UHFFFAOYSA-N 1 2 258.365 3.061 20 30 CGEDLO C=CCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000466372298 331393750 /nfs/dbraw/zinc/39/37/50/331393750.db2.gz PRCPSRRWCTVRGY-UHFFFAOYSA-N 1 2 298.346 3.373 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000489474652 332055099 /nfs/dbraw/zinc/05/50/99/332055099.db2.gz KXKNQVMIGWOFHG-LLVKDONJSA-N 1 2 252.339 3.197 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000489474652 332055100 /nfs/dbraw/zinc/05/51/00/332055100.db2.gz KXKNQVMIGWOFHG-LLVKDONJSA-N 1 2 252.339 3.197 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000489512033 332057244 /nfs/dbraw/zinc/05/72/44/332057244.db2.gz NSYFSLIYMQTGPI-YPMHNXCESA-N 1 2 266.410 3.391 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000489512033 332057245 /nfs/dbraw/zinc/05/72/45/332057245.db2.gz NSYFSLIYMQTGPI-YPMHNXCESA-N 1 2 266.410 3.391 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cnccc1C ZINC000490865838 332122049 /nfs/dbraw/zinc/12/20/49/332122049.db2.gz IURNLRNKROYBQZ-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cnccc1C ZINC000490865838 332122050 /nfs/dbraw/zinc/12/20/50/332122050.db2.gz IURNLRNKROYBQZ-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000575326796 335094367 /nfs/dbraw/zinc/09/43/67/335094367.db2.gz GCNRTPBTCISKJK-CYBMUJFWSA-N 1 2 255.321 3.123 20 30 CGEDLO C#C[C@H](C)N(C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000491475722 332218919 /nfs/dbraw/zinc/21/89/19/332218919.db2.gz ZHGKTQPMHUTERV-ZDUSSCGKSA-N 1 2 295.342 3.359 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(CC)c1)c1ccc(Cl)cc1F ZINC000491659243 332269836 /nfs/dbraw/zinc/26/98/36/332269836.db2.gz XAJXKYGMTSOXCY-OAHLLOKOSA-N 1 2 291.757 3.160 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(C(C)C)c1)c1ccc(F)cc1 ZINC000491695936 332291365 /nfs/dbraw/zinc/29/13/65/332291365.db2.gz OUTZNAVNUNCNCB-MRXNPFEDSA-N 1 2 271.339 3.067 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(COC)o1)c1ccc(F)cc1 ZINC000491725146 332309263 /nfs/dbraw/zinc/30/92/63/332309263.db2.gz CZJCFLHIXWHKOM-INIZCTEOSA-N 1 2 273.307 3.029 20 30 CGEDLO C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCCC1 ZINC000491813659 332365518 /nfs/dbraw/zinc/36/55/18/332365518.db2.gz BMQZXHFVHDATHI-UHFFFAOYSA-N 1 2 295.386 3.051 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000500780982 332618901 /nfs/dbraw/zinc/61/89/01/332618901.db2.gz MRUNFTGWXQJMEU-HZPDHXFCSA-N 1 2 275.392 3.105 20 30 CGEDLO CC1(C)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177254964 333056086 /nfs/dbraw/zinc/05/60/86/333056086.db2.gz HDSZHJFNARIBHI-UHFFFAOYSA-N 1 2 297.320 3.168 20 30 CGEDLO CC1(C)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177254964 333056087 /nfs/dbraw/zinc/05/60/87/333056087.db2.gz HDSZHJFNARIBHI-UHFFFAOYSA-N 1 2 297.320 3.168 20 30 CGEDLO CCC[N@H+](CC#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000186650872 333164015 /nfs/dbraw/zinc/16/40/15/333164015.db2.gz YXHKRAUTJVKDTP-CYBMUJFWSA-N 1 2 278.371 3.248 20 30 CGEDLO CCC[N@@H+](CC#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000186650872 333164016 /nfs/dbraw/zinc/16/40/16/333164016.db2.gz YXHKRAUTJVKDTP-CYBMUJFWSA-N 1 2 278.371 3.248 20 30 CGEDLO COc1cc(Cl)c(C[NH2+]CC2(C#N)CC2)cc1Cl ZINC000521742880 333186429 /nfs/dbraw/zinc/18/64/29/333186429.db2.gz LZSFSMWLFQPOEU-UHFFFAOYSA-N 1 2 285.174 3.395 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000132100381 333972387 /nfs/dbraw/zinc/97/23/87/333972387.db2.gz YWOGBOCBMDJGLH-UHFFFAOYSA-N 1 2 289.329 3.325 20 30 CGEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)c(Cl)c1 ZINC000546633934 334042338 /nfs/dbraw/zinc/04/23/38/334042338.db2.gz WXVNWHOPSYXCNF-UHFFFAOYSA-N 1 2 287.750 3.422 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000135043661 334113494 /nfs/dbraw/zinc/11/34/94/334113494.db2.gz GECMGXMVEIIRND-GFCCVEGCSA-N 1 2 265.809 3.129 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCS1 ZINC000135043661 334113495 /nfs/dbraw/zinc/11/34/95/334113495.db2.gz GECMGXMVEIIRND-GFCCVEGCSA-N 1 2 265.809 3.129 20 30 CGEDLO Cc1nc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cs1 ZINC000342655946 335185018 /nfs/dbraw/zinc/18/50/18/335185018.db2.gz DURPWVPBZHGJRM-UHFFFAOYSA-N 1 2 271.389 3.150 20 30 CGEDLO Cc1nc(C[N@H+](C)Cc2ccc(CC#N)cc2)cs1 ZINC000342655946 335185020 /nfs/dbraw/zinc/18/50/20/335185020.db2.gz DURPWVPBZHGJRM-UHFFFAOYSA-N 1 2 271.389 3.150 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000576706533 335237812 /nfs/dbraw/zinc/23/78/12/335237812.db2.gz PFKGTNWRWSASSN-OAHLLOKOSA-N 1 2 295.386 3.203 20 30 CGEDLO C[C@@H](C#N)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000176456895 335281924 /nfs/dbraw/zinc/28/19/24/335281924.db2.gz TYLVDJWLWZJDBS-LBPRGKRZSA-N 1 2 296.330 3.155 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577408379 335349689 /nfs/dbraw/zinc/34/96/89/335349689.db2.gz UOVMRJJLBPVOEC-NSHDSACASA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577408379 335349690 /nfs/dbraw/zinc/34/96/90/335349690.db2.gz UOVMRJJLBPVOEC-NSHDSACASA-N 1 2 299.324 3.351 20 30 CGEDLO C=C[C@](C)(CC)c1nc(CCc2[nH+]cccc2C)no1 ZINC000578294915 335595993 /nfs/dbraw/zinc/59/59/93/335595993.db2.gz RDBNGYOQCFWDSN-MRXNPFEDSA-N 1 2 271.364 3.412 20 30 CGEDLO COc1cccc([C@H]2C[C@H](Nc3cc(C)[nH+]cc3C#N)C2)c1 ZINC000579465531 335764592 /nfs/dbraw/zinc/76/45/92/335764592.db2.gz KGGLOBRQECPGIQ-KOMQPUFPSA-N 1 2 293.370 3.050 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2nc(C)no2)c1 ZINC000581200847 336024192 /nfs/dbraw/zinc/02/41/92/336024192.db2.gz SYVIZNSUHOUVLX-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2nc(C)no2)c1 ZINC000581200847 336024193 /nfs/dbraw/zinc/02/41/93/336024193.db2.gz SYVIZNSUHOUVLX-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO C[C@H](c1ccc(Br)cc1)[N@H+](C)CCC#N ZINC000194971540 336041528 /nfs/dbraw/zinc/04/15/28/336041528.db2.gz FKUJMRTWDRQAEM-SNVBAGLBSA-N 1 2 267.170 3.356 20 30 CGEDLO C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCC#N ZINC000194971540 336041529 /nfs/dbraw/zinc/04/15/29/336041529.db2.gz FKUJMRTWDRQAEM-SNVBAGLBSA-N 1 2 267.170 3.356 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000581378775 336065124 /nfs/dbraw/zinc/06/51/24/336065124.db2.gz STCDLIFYTJRIQH-KGLIPLIRSA-N 1 2 287.407 3.419 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000581378776 336065193 /nfs/dbraw/zinc/06/51/93/336065193.db2.gz STCDLIFYTJRIQH-UONOGXRCSA-N 1 2 287.407 3.419 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(O)c1 ZINC000428311252 533928199 /nfs/dbraw/zinc/92/81/99/533928199.db2.gz BISOWZKFZSVRCB-NSHDSACASA-N 1 2 270.307 3.254 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356079001 534055443 /nfs/dbraw/zinc/05/54/43/534055443.db2.gz AHGRKBWTJUUYLE-VIFPVBQESA-N 1 2 293.342 3.486 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356079001 534055451 /nfs/dbraw/zinc/05/54/51/534055451.db2.gz AHGRKBWTJUUYLE-VIFPVBQESA-N 1 2 293.342 3.486 20 30 CGEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ncc(C)s1 ZINC000184980653 522036143 /nfs/dbraw/zinc/03/61/43/522036143.db2.gz LMKXZKWYWNVRCH-LLVKDONJSA-N 1 2 287.388 3.183 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCCCCn1ccnc1C#N ZINC000359163167 534681484 /nfs/dbraw/zinc/68/14/84/534681484.db2.gz NWAMQJPQMVOAIO-UHFFFAOYSA-N 1 2 293.374 3.283 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)cn1 ZINC000352797089 526560516 /nfs/dbraw/zinc/56/05/16/526560516.db2.gz ANZNPMNRCCIOTP-UHFFFAOYSA-N 1 2 286.375 3.054 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)cn1 ZINC000352797089 526560519 /nfs/dbraw/zinc/56/05/19/526560519.db2.gz ANZNPMNRCCIOTP-UHFFFAOYSA-N 1 2 286.375 3.054 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC=C(F)C2)cc1OC ZINC000351981134 526865017 /nfs/dbraw/zinc/86/50/17/526865017.db2.gz JCSWDQLWOPKLKN-UHFFFAOYSA-N 1 2 277.339 3.319 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC=C(F)C2)cc1OC ZINC000351981134 526865019 /nfs/dbraw/zinc/86/50/19/526865019.db2.gz JCSWDQLWOPKLKN-UHFFFAOYSA-N 1 2 277.339 3.319 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1csnn1 ZINC000411162732 528135135 /nfs/dbraw/zinc/13/51/35/528135135.db2.gz DGCOXDPEVIQQRZ-LBPRGKRZSA-N 1 2 286.404 3.383 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1csnn1 ZINC000411162732 528135140 /nfs/dbraw/zinc/13/51/40/528135140.db2.gz DGCOXDPEVIQQRZ-LBPRGKRZSA-N 1 2 286.404 3.383 20 30 CGEDLO CCCO[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425235656 528611228 /nfs/dbraw/zinc/61/12/28/528611228.db2.gz ZMPMXAOTOJKEMS-HNNXBMFYSA-N 1 2 273.380 3.047 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CCSC(C)(C)C ZINC000727264956 571734776 /nfs/dbraw/zinc/73/47/76/571734776.db2.gz BLWZRDBZONRSBQ-GDNBJRDFSA-N 1 2 267.394 3.351 20 30 CGEDLO O=C(/C=C\c1[nH+]ccn1CC(F)(F)F)c1cccc(O)c1 ZINC000728696275 571815335 /nfs/dbraw/zinc/81/53/35/571815335.db2.gz PCMRJVDTNRROBL-PLNGDYQASA-N 1 2 296.248 3.047 20 30 CGEDLO CC(=[NH+]Nc1ccnc2ccccc21)c1ccc(N)cc1 ZINC000730148389 571951661 /nfs/dbraw/zinc/95/16/61/571951661.db2.gz SHISNSDLURADNZ-UHFFFAOYSA-N 1 2 276.343 3.075 20 30 CGEDLO CSc1ccc2c(c1)CC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000731159117 572398872 /nfs/dbraw/zinc/39/88/72/572398872.db2.gz NAYRHOGCMGLUNW-LUAWRHEFSA-N 1 2 270.357 3.344 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000731159382 572399008 /nfs/dbraw/zinc/39/90/08/572399008.db2.gz PPCOFYLFINATRH-SNAWJCMRSA-N 1 2 282.221 3.204 20 30 CGEDLO CC(C)CN(CCC#N)Cc1[nH+]ccn1Cc1ccccc1 ZINC000739914869 572426899 /nfs/dbraw/zinc/42/68/99/572426899.db2.gz QDLARSQVDUXBTH-UHFFFAOYSA-N 1 2 296.418 3.303 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740859638 572461571 /nfs/dbraw/zinc/46/15/71/572461571.db2.gz MEXBNYYJMIPNEN-VXGBXAGGSA-N 1 2 292.452 3.165 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740859638 572461574 /nfs/dbraw/zinc/46/15/74/572461574.db2.gz MEXBNYYJMIPNEN-VXGBXAGGSA-N 1 2 292.452 3.165 20 30 CGEDLO Oc1cccc(/C=[NH+]\[C@@H]2C[C@H]2C2CCCCC2)c1O ZINC000741463735 572499433 /nfs/dbraw/zinc/49/94/33/572499433.db2.gz HZAKUOBJFMBXSH-OPABCWLPSA-N 1 2 259.349 3.486 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)OCCCC ZINC000741773208 572525232 /nfs/dbraw/zinc/52/52/32/572525232.db2.gz IZTIDJMTFHQEEB-CYBMUJFWSA-N 1 2 281.421 3.468 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)OCCCC ZINC000741773208 572525234 /nfs/dbraw/zinc/52/52/34/572525234.db2.gz IZTIDJMTFHQEEB-CYBMUJFWSA-N 1 2 281.421 3.468 20 30 CGEDLO C=C(Cl)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000743856968 572691383 /nfs/dbraw/zinc/69/13/83/572691383.db2.gz QFCPHRCPDPLGDE-UHFFFAOYSA-N 1 2 275.783 3.116 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CCc1cccc(C)c1 ZINC000749103956 572989100 /nfs/dbraw/zinc/98/91/00/572989100.db2.gz FYTMLHPOHZYGJW-LDADJPATSA-N 1 2 269.344 3.371 20 30 CGEDLO CC(=NOCC(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000749636016 573025369 /nfs/dbraw/zinc/02/53/69/573025369.db2.gz CUKBTLBNVMTFKM-UHFFFAOYSA-N 1 2 257.337 3.269 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC2CCC(OC)CC2)c1 ZINC000749930804 573062793 /nfs/dbraw/zinc/06/27/93/573062793.db2.gz NHQFTVKBCRTNJG-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO N#Cc1cc2ccccc2nc1NCc1cn2ccccc2[nH+]1 ZINC000750012651 573072887 /nfs/dbraw/zinc/07/28/87/573072887.db2.gz XACAUPBWCHWMNC-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO C=CCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750499674 573141620 /nfs/dbraw/zinc/14/16/20/573141620.db2.gz GJCMIXYTXKWOJU-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C=CCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750499674 573141625 /nfs/dbraw/zinc/14/16/25/573141625.db2.gz GJCMIXYTXKWOJU-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000950406509 613294525 /nfs/dbraw/zinc/29/45/25/613294525.db2.gz VITOAZMOWUKXQA-MRXNPFEDSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2coc3c2cccc3C)CC1 ZINC000948778957 613321923 /nfs/dbraw/zinc/32/19/23/613321923.db2.gz FYIJNZFXRSJTET-UHFFFAOYSA-N 1 2 298.386 3.075 20 30 CGEDLO CC[N@H+](Cc1c(O)cccc1Cl)C[C@H](C)C#N ZINC000120507581 617715286 /nfs/dbraw/zinc/71/52/86/617715286.db2.gz OOASHVHIKIXRNH-SNVBAGLBSA-N 1 2 252.745 3.027 20 30 CGEDLO CC[N@@H+](Cc1c(O)cccc1Cl)C[C@H](C)C#N ZINC000120507581 617715282 /nfs/dbraw/zinc/71/52/82/617715282.db2.gz OOASHVHIKIXRNH-SNVBAGLBSA-N 1 2 252.745 3.027 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000890890033 617892300 /nfs/dbraw/zinc/89/23/00/617892300.db2.gz GTWOVASTTKLWFT-AWEZNQCLSA-N 1 2 281.359 3.117 20 30 CGEDLO C=C1CCC(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000900342957 620783319 /nfs/dbraw/zinc/78/33/19/620783319.db2.gz UTKUKQABTLFUHC-HNNXBMFYSA-N 1 2 289.423 3.160 20 30 CGEDLO Cn1cc(C[N@H+](CCC#N)CC2CC2)c(C2CCCC2)n1 ZINC000891934092 618391841 /nfs/dbraw/zinc/39/18/41/618391841.db2.gz QKLOEXJDAAGNIM-UHFFFAOYSA-N 1 2 286.423 3.203 20 30 CGEDLO Cn1cc(C[N@@H+](CCC#N)CC2CC2)c(C2CCCC2)n1 ZINC000891934092 618391852 /nfs/dbraw/zinc/39/18/52/618391852.db2.gz QKLOEXJDAAGNIM-UHFFFAOYSA-N 1 2 286.423 3.203 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(O)cc(Cl)c1)CC1CC1 ZINC000891937422 618394969 /nfs/dbraw/zinc/39/49/69/618394969.db2.gz IYHGCSCOIOGNCS-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO N#CCC[N@H+](Cc1cc(O)cc(Cl)c1)CC1CC1 ZINC000891937422 618394979 /nfs/dbraw/zinc/39/49/79/618394979.db2.gz IYHGCSCOIOGNCS-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1C1CC1 ZINC000891937690 618395250 /nfs/dbraw/zinc/39/52/50/618395250.db2.gz OUGAVHCKOUIRCH-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1C1CC1 ZINC000891937690 618395259 /nfs/dbraw/zinc/39/52/59/618395259.db2.gz OUGAVHCKOUIRCH-UHFFFAOYSA-N 1 2 274.412 3.059 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1cccc(C#N)c1O ZINC000926519473 618721406 /nfs/dbraw/zinc/72/14/06/618721406.db2.gz MLOXIAHHFRJZNT-GDBMZVCRSA-N 1 2 276.380 3.120 20 30 CGEDLO CC[C@H]([NH2+]Cc1cnccc1C)c1cccc(C#N)c1O ZINC000926524091 618724100 /nfs/dbraw/zinc/72/41/00/618724100.db2.gz ABRNOUWTDSFWLY-INIZCTEOSA-N 1 2 281.359 3.208 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1Br ZINC000775184005 619006210 /nfs/dbraw/zinc/00/62/10/619006210.db2.gz RUDBEFSPNBVOTO-LLVKDONJSA-N 1 2 266.182 3.211 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1Br ZINC000775184005 619006214 /nfs/dbraw/zinc/00/62/14/619006214.db2.gz RUDBEFSPNBVOTO-LLVKDONJSA-N 1 2 266.182 3.211 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000893527413 619204489 /nfs/dbraw/zinc/20/44/89/619204489.db2.gz PKKZCTPMXLOBOD-QGZVFWFLSA-N 1 2 270.376 3.137 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000893527413 619204491 /nfs/dbraw/zinc/20/44/91/619204491.db2.gz PKKZCTPMXLOBOD-QGZVFWFLSA-N 1 2 270.376 3.137 20 30 CGEDLO COc1cc(C)cc(C[N@H+](CCC#N)CC(C)C)c1OC ZINC000893879368 619326293 /nfs/dbraw/zinc/32/62/93/619326293.db2.gz ASMOTYNZNHNSEZ-UHFFFAOYSA-N 1 2 290.407 3.384 20 30 CGEDLO COc1cc(C)cc(C[N@@H+](CCC#N)CC(C)C)c1OC ZINC000893879368 619326295 /nfs/dbraw/zinc/32/62/95/619326295.db2.gz ASMOTYNZNHNSEZ-UHFFFAOYSA-N 1 2 290.407 3.384 20 30 CGEDLO C=CC[N@@H+](Cc1[nH]nc(C)c1C)Cc1cccc(C#N)c1 ZINC000893976625 619343221 /nfs/dbraw/zinc/34/32/21/619343221.db2.gz VORUYHZMXRAKFE-UHFFFAOYSA-N 1 2 280.375 3.086 20 30 CGEDLO C=CC[N@H+](Cc1[nH]nc(C)c1C)Cc1cccc(C#N)c1 ZINC000893976625 619343222 /nfs/dbraw/zinc/34/32/22/619343222.db2.gz VORUYHZMXRAKFE-UHFFFAOYSA-N 1 2 280.375 3.086 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(C)C)c[nH]1 ZINC000894423179 619530467 /nfs/dbraw/zinc/53/04/67/619530467.db2.gz UBZYVPAYLFBVNY-UHFFFAOYSA-N 1 2 273.380 3.357 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(C)C)c[nH]1 ZINC000894423179 619530469 /nfs/dbraw/zinc/53/04/69/619530469.db2.gz UBZYVPAYLFBVNY-UHFFFAOYSA-N 1 2 273.380 3.357 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1csc(C#N)c1)CC2 ZINC000894743818 619621713 /nfs/dbraw/zinc/62/17/13/619621713.db2.gz YFKPSEZRRQLAFO-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1csc(C#N)c1)CC2 ZINC000894743818 619621718 /nfs/dbraw/zinc/62/17/18/619621718.db2.gz YFKPSEZRRQLAFO-UHFFFAOYSA-N 1 2 284.384 3.187 20 30 CGEDLO C=CCCCN(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000895410529 619822679 /nfs/dbraw/zinc/82/26/79/619822679.db2.gz GXGCNAWWHLBFOU-UHFFFAOYSA-N 1 2 275.396 3.196 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c2c(n1)CCCC2 ZINC000896500289 620017705 /nfs/dbraw/zinc/01/77/05/620017705.db2.gz CHJZHMCRBAMKSV-CQSZACIVSA-N 1 2 269.392 3.004 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)c2c(n1)CCCC2 ZINC000896500289 620017710 /nfs/dbraw/zinc/01/77/10/620017710.db2.gz CHJZHMCRBAMKSV-CQSZACIVSA-N 1 2 269.392 3.004 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896503600 620018303 /nfs/dbraw/zinc/01/83/03/620018303.db2.gz LRIANKXQYBXVPH-NRUITVPNSA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896503600 620018305 /nfs/dbraw/zinc/01/83/05/620018305.db2.gz LRIANKXQYBXVPH-NRUITVPNSA-N 1 2 285.347 3.234 20 30 CGEDLO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C#N)C3)ccc2n1 ZINC000896506979 620019492 /nfs/dbraw/zinc/01/94/92/620019492.db2.gz XDPXKRGTMARALU-HNNXBMFYSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2cc(C[N@H+]3CCC[C@@H](C#N)C3)ccc2n1 ZINC000896506979 620019498 /nfs/dbraw/zinc/01/94/98/620019498.db2.gz XDPXKRGTMARALU-HNNXBMFYSA-N 1 2 265.360 3.279 20 30 CGEDLO C=C1CC(C)(c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)C1 ZINC000896919248 620100358 /nfs/dbraw/zinc/10/03/58/620100358.db2.gz LFBYRAXNIZFSBD-CQSZACIVSA-N 1 2 283.375 3.328 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000897070117 620134313 /nfs/dbraw/zinc/13/43/13/620134313.db2.gz CDCBAMRVGRLVQX-MRXNPFEDSA-N 1 2 281.334 3.260 20 30 CGEDLO CCCOc1ccc(Br)cc1C[NH2+]CCC#N ZINC000034992735 620214789 /nfs/dbraw/zinc/21/47/89/620214789.db2.gz CCOCISGUTQCAMF-UHFFFAOYSA-N 1 2 297.196 3.241 20 30 CGEDLO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925298623 620386888 /nfs/dbraw/zinc/38/68/88/620386888.db2.gz SOAZMSNSGPEEPG-XEZPLFJOSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1cc(N)nc(SCCCCC2(C#N)CCC2)[nH+]1 ZINC000901416084 620880604 /nfs/dbraw/zinc/88/06/04/620880604.db2.gz RBAQESCSNALPOA-UHFFFAOYSA-N 1 2 276.409 3.324 20 30 CGEDLO CCCOc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901437598 620887499 /nfs/dbraw/zinc/88/74/99/620887499.db2.gz IOOMTKJUPHRPQZ-RMKNXTFCSA-N 1 2 270.332 3.105 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(N(C)C)cc1 ZINC000901437849 620887766 /nfs/dbraw/zinc/88/77/66/620887766.db2.gz WDKQEJQYFUDMDJ-KTKRTIGZSA-N 1 2 283.375 3.426 20 30 CGEDLO CCc1ccc(C(=O)/C=C/c2c[nH+]cn2CC)s1 ZINC000901444688 620889373 /nfs/dbraw/zinc/88/93/73/620889373.db2.gz ZYIHZGXNIAWESA-FNORWQNLSA-N 1 2 260.362 3.423 20 30 CGEDLO CCn1nc(C)c(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1C ZINC000901464263 620895009 /nfs/dbraw/zinc/89/50/09/620895009.db2.gz GFJGJTZHYFSRKN-FPLPWBNLSA-N 1 2 286.379 3.193 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2sccc2C1=O ZINC000901467421 620895775 /nfs/dbraw/zinc/89/57/75/620895775.db2.gz HLZAOZKYZZSWJN-JXMROGBWSA-N 1 2 258.346 3.177 20 30 CGEDLO Cc1cncc(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901490853 620898776 /nfs/dbraw/zinc/89/87/76/620898776.db2.gz PNUNRPPMNKGORE-SNAWJCMRSA-N 1 2 255.321 3.064 20 30 CGEDLO C[C@@H]1Cc2cc(CNc3cc(CC#N)cc[nH+]3)ccc2O1 ZINC000902067884 621136206 /nfs/dbraw/zinc/13/62/06/621136206.db2.gz PNXSPQPAAJEARV-GFCCVEGCSA-N 1 2 279.343 3.083 20 30 CGEDLO COc1ccc(CCC(C)=NOCc2ccc(N)[nH+]c2)cc1 ZINC000902226154 621201123 /nfs/dbraw/zinc/20/11/23/621201123.db2.gz LFJVLYJHABWDJU-UHFFFAOYSA-N 1 2 299.374 3.198 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccnc1Cl ZINC000903108932 621582381 /nfs/dbraw/zinc/58/23/81/621582381.db2.gz XIADDCSULHPWRF-NSHDSACASA-N 1 2 263.772 3.470 20 30 CGEDLO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000903265292 621645301 /nfs/dbraw/zinc/64/53/01/621645301.db2.gz ZNMCTVFRPULDLV-LBPRGKRZSA-N 1 2 287.388 3.411 20 30 CGEDLO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903267591 621654480 /nfs/dbraw/zinc/65/44/80/621654480.db2.gz DXVJDCMDCGEUHI-LLVKDONJSA-N 1 2 287.388 3.183 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cccc2c1OCCCO2 ZINC000768153422 625530265 /nfs/dbraw/zinc/53/02/65/625530265.db2.gz GACLTMMZVUNWAK-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc2c1OCCCO2 ZINC000768153422 625530277 /nfs/dbraw/zinc/53/02/77/625530277.db2.gz GACLTMMZVUNWAK-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO CC(C)Oc1cc(Cl)ccc1C[NH2+]CCC#N ZINC000905424825 622073868 /nfs/dbraw/zinc/07/38/68/622073868.db2.gz KYPKQFQAFWGLKQ-UHFFFAOYSA-N 1 2 252.745 3.130 20 30 CGEDLO C=C(Br)C[N@@H+](CC)Cc1cccs1 ZINC000057752967 622883599 /nfs/dbraw/zinc/88/35/99/622883599.db2.gz CIIMOARGBATSRH-UHFFFAOYSA-N 1 2 260.200 3.479 20 30 CGEDLO C=C(Br)C[N@H+](CC)Cc1cccs1 ZINC000057752967 622883603 /nfs/dbraw/zinc/88/36/03/622883603.db2.gz CIIMOARGBATSRH-UHFFFAOYSA-N 1 2 260.200 3.479 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000171890315 623201463 /nfs/dbraw/zinc/20/14/63/623201463.db2.gz RXKCLWAPOQSODV-GFCCVEGCSA-N 1 2 294.468 3.413 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000171890315 623201472 /nfs/dbraw/zinc/20/14/72/623201472.db2.gz RXKCLWAPOQSODV-GFCCVEGCSA-N 1 2 294.468 3.413 20 30 CGEDLO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000753587728 623439226 /nfs/dbraw/zinc/43/92/26/623439226.db2.gz QCUBBBWPYRCZNX-MRXNPFEDSA-N 1 2 275.371 3.017 20 30 CGEDLO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000753587728 623439232 /nfs/dbraw/zinc/43/92/32/623439232.db2.gz QCUBBBWPYRCZNX-MRXNPFEDSA-N 1 2 275.371 3.017 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCC2CCC(OC)CC2)c1 ZINC000753992678 623746569 /nfs/dbraw/zinc/74/65/69/623746569.db2.gz ACONHDOFAQROFE-LDADJPATSA-N 1 2 291.391 3.415 20 30 CGEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000925412750 623805350 /nfs/dbraw/zinc/80/53/50/623805350.db2.gz CHENTIFUGGESSM-TZMCWYRMSA-N 1 2 285.347 3.206 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993328134 624026243 /nfs/dbraw/zinc/02/62/43/624026243.db2.gz MMWWAMGSLUNOQX-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993328134 624026246 /nfs/dbraw/zinc/02/62/46/624026246.db2.gz MMWWAMGSLUNOQX-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993343429 624032977 /nfs/dbraw/zinc/03/29/77/624032977.db2.gz KDWSTJREJYHLKH-HIFRSBDPSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993343429 624032978 /nfs/dbraw/zinc/03/29/78/624032978.db2.gz KDWSTJREJYHLKH-HIFRSBDPSA-N 1 2 296.842 3.208 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2)s1 ZINC000915962571 624092025 /nfs/dbraw/zinc/09/20/25/624092025.db2.gz NTVVHIZPIWKCHF-UHFFFAOYSA-N 1 2 270.361 3.132 20 30 CGEDLO CC(=[NH+]Nc1cccc2ncccc21)c1csc(N)n1 ZINC000915965013 624092715 /nfs/dbraw/zinc/09/27/15/624092715.db2.gz ZQZIIKMFNDTIRU-UHFFFAOYSA-N 1 2 283.360 3.110 20 30 CGEDLO C=CC[N@@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000155036911 624414606 /nfs/dbraw/zinc/41/46/06/624414606.db2.gz OBMOMWASGAOJIT-UHFFFAOYSA-N 1 2 273.405 3.298 20 30 CGEDLO C=CC[N@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000155036911 624414608 /nfs/dbraw/zinc/41/46/08/624414608.db2.gz OBMOMWASGAOJIT-UHFFFAOYSA-N 1 2 273.405 3.298 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCCc2ccccc2)c1 ZINC000920942991 624554499 /nfs/dbraw/zinc/55/44/99/624554499.db2.gz JRANZRMTCNUIKM-AQTBWJFISA-N 1 2 269.344 3.453 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2csc(C#N)c2)[nH]1 ZINC000922052453 625966686 /nfs/dbraw/zinc/96/66/86/625966686.db2.gz CHLNTAFGZKEAOD-VHSXEESVSA-N 1 2 289.408 3.102 20 30 CGEDLO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000839164129 626330800 /nfs/dbraw/zinc/33/08/00/626330800.db2.gz ZZMYBCZAIPTZGV-UHFFFAOYSA-N 1 2 270.735 3.214 20 30 CGEDLO CC(=[NH+]N[C@@H](C)CC#N)c1cc(Cl)c(N)c(Cl)c1 ZINC000754710205 626583457 /nfs/dbraw/zinc/58/34/57/626583457.db2.gz CFWZWEYFEYHCHE-ZETCQYMHSA-N 1 2 285.178 3.191 20 30 CGEDLO Fc1cccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000758375377 626840434 /nfs/dbraw/zinc/84/04/34/626840434.db2.gz RYUSCIWBQYEPSU-UHFFFAOYSA-N 1 2 284.338 3.267 20 30 CGEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1C#N ZINC000766449685 627333051 /nfs/dbraw/zinc/33/30/51/627333051.db2.gz BBRWYTVNYRHVFW-UHFFFAOYSA-N 1 2 286.338 3.283 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)cnc1Cl ZINC000768153832 627464186 /nfs/dbraw/zinc/46/41/86/627464186.db2.gz LZFBDQMYWNLPPH-UHFFFAOYSA-N 1 2 265.788 3.415 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)cnc1Cl ZINC000768153832 627464187 /nfs/dbraw/zinc/46/41/87/627464187.db2.gz LZFBDQMYWNLPPH-UHFFFAOYSA-N 1 2 265.788 3.415 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769608062 627569517 /nfs/dbraw/zinc/56/95/17/627569517.db2.gz OMWPRFZNFCAOOW-SDNWHVSQSA-N 1 2 274.323 3.465 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000775341381 628084915 /nfs/dbraw/zinc/08/49/15/628084915.db2.gz MAMHQOGWTVWOLL-JKSUJKDBSA-N 1 2 298.411 3.081 20 30 CGEDLO CN(C)c1ccncc1C=[NH+]Nc1cccc2cnccc21 ZINC000776179592 628177452 /nfs/dbraw/zinc/17/74/52/628177452.db2.gz BIJCIJXJNBQKPH-UHFFFAOYSA-N 1 2 291.358 3.142 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000776192564 628178968 /nfs/dbraw/zinc/17/89/68/628178968.db2.gz RMIMGWLGZWURRQ-WAYWQWQTSA-N 1 2 291.354 3.496 20 30 CGEDLO C#CCCCCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000779898815 628440891 /nfs/dbraw/zinc/44/08/91/628440891.db2.gz GOJSZOGGMOQXQK-UHFFFAOYSA-N 1 2 269.348 3.165 20 30 CGEDLO COc1ccc(N[NH+]=C2CCCNc3ccccc32)nc1 ZINC000780265665 628474292 /nfs/dbraw/zinc/47/42/92/628474292.db2.gz MZDFDVIJPTYTSK-UHFFFAOYSA-N 1 2 282.347 3.112 20 30 CGEDLO COc1cccc2c(NCc3ccc(C#N)cn3)cc[nH+]c12 ZINC000780610848 628504705 /nfs/dbraw/zinc/50/47/05/628504705.db2.gz MZRVFWIEEKTHMS-UHFFFAOYSA-N 1 2 290.326 3.122 20 30 CGEDLO CCC(CC)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783845321 628750481 /nfs/dbraw/zinc/75/04/81/628750481.db2.gz DTYQATZYFYWHHV-UHFFFAOYSA-N 1 2 262.382 3.046 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2cccc(F)c2)cn1 ZINC000790159137 629187775 /nfs/dbraw/zinc/18/77/75/629187775.db2.gz BAKVLPCJOTXPHP-UHFFFAOYSA-N 1 2 272.327 3.123 20 30 CGEDLO Cc1cccnc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790192928 629192592 /nfs/dbraw/zinc/19/25/92/629192592.db2.gz KGULBUNGKJBQTR-UHFFFAOYSA-N 1 2 277.331 3.022 20 30 CGEDLO Cc1cccc(N=NC(C)C[NH+]2Cc3ccccc3C2)n1 ZINC000863160338 629485403 /nfs/dbraw/zinc/48/54/03/629485403.db2.gz ZZEWMHGFTWQUKL-UHFFFAOYSA-N 1 2 280.375 3.194 20 30 CGEDLO C=C[C@@H](CC)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796811395 629839016 /nfs/dbraw/zinc/83/90/16/629839016.db2.gz HYKNSUPKMSROAZ-JTQLQIEISA-N 1 2 294.301 3.131 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798086682 630020906 /nfs/dbraw/zinc/02/09/06/630020906.db2.gz UOZYBPIRTWWAKW-BMIGLBTASA-N 1 2 299.773 3.256 20 30 CGEDLO CN1CCCc2cc([NH2+][C@@H]3CC[C@H](C#N)C3)ccc21 ZINC000799725158 630225544 /nfs/dbraw/zinc/22/55/44/630225544.db2.gz VCTPHIIKQLEWAF-GXTWGEPZSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@@H+]1CCCc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc21 ZINC000799725158 630225548 /nfs/dbraw/zinc/22/55/48/630225548.db2.gz VCTPHIIKQLEWAF-GXTWGEPZSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@H+]1CCCc2cc(N[C@@H]3CC[C@H](C#N)C3)ccc21 ZINC000799725158 630225552 /nfs/dbraw/zinc/22/55/52/630225552.db2.gz VCTPHIIKQLEWAF-GXTWGEPZSA-N 1 2 255.365 3.173 20 30 CGEDLO C[C@@H](C#N)OCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000801914583 630362932 /nfs/dbraw/zinc/36/29/32/630362932.db2.gz XJUBCJLBRRHZAK-JTQLQIEISA-N 1 2 287.190 3.354 20 30 CGEDLO C[C@@H](C#N)OCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000801914583 630362936 /nfs/dbraw/zinc/36/29/36/630362936.db2.gz XJUBCJLBRRHZAK-JTQLQIEISA-N 1 2 287.190 3.354 20 30 CGEDLO C=CC[N@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000840040409 630520986 /nfs/dbraw/zinc/52/09/86/630520986.db2.gz CSAYVXOZFPEWSO-KRWDZBQOSA-N 1 2 296.414 3.348 20 30 CGEDLO C=CC[N@@H+](CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000840040409 630520989 /nfs/dbraw/zinc/52/09/89/630520989.db2.gz CSAYVXOZFPEWSO-KRWDZBQOSA-N 1 2 296.414 3.348 20 30 CGEDLO Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cc(C#N)n1 ZINC000804381605 630524949 /nfs/dbraw/zinc/52/49/49/630524949.db2.gz PDTVINSWBBTYQD-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C#Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000809582858 630755311 /nfs/dbraw/zinc/75/53/11/630755311.db2.gz FTDBYIHITPUSFK-UHFFFAOYSA-N 1 2 287.403 3.220 20 30 CGEDLO C#Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000809582858 630755313 /nfs/dbraw/zinc/75/53/13/630755313.db2.gz FTDBYIHITPUSFK-UHFFFAOYSA-N 1 2 287.403 3.220 20 30 CGEDLO C#Cc1ccc(C[N@@H+](C)Cc2ncc(CC)s2)cc1 ZINC000809585711 630756607 /nfs/dbraw/zinc/75/66/07/630756607.db2.gz LDQFOJTVLYTQHR-UHFFFAOYSA-N 1 2 270.401 3.319 20 30 CGEDLO C#Cc1ccc(C[N@H+](C)Cc2ncc(CC)s2)cc1 ZINC000809585711 630756609 /nfs/dbraw/zinc/75/66/09/630756609.db2.gz LDQFOJTVLYTQHR-UHFFFAOYSA-N 1 2 270.401 3.319 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000814175814 631538235 /nfs/dbraw/zinc/53/82/35/631538235.db2.gz MEIRMWNLFPALGX-AWEZNQCLSA-N 1 2 297.320 3.210 20 30 CGEDLO C#Cc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000814175814 631538242 /nfs/dbraw/zinc/53/82/42/631538242.db2.gz MEIRMWNLFPALGX-AWEZNQCLSA-N 1 2 297.320 3.210 20 30 CGEDLO C=CCC(F)(F)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000815073549 631710967 /nfs/dbraw/zinc/71/09/67/631710967.db2.gz PNVMLEVXTFQYIQ-UHFFFAOYSA-N 1 2 295.264 3.161 20 30 CGEDLO COc1cccc(O)c1/C=N\Cc1cc(C)[nH+]c(C)c1 ZINC000817707478 632202587 /nfs/dbraw/zinc/20/25/87/632202587.db2.gz JYSRJVYSQAJFKP-YVLHZVERSA-N 1 2 270.332 3.032 20 30 CGEDLO Nc1ccc(/C=C/C(=O)c2ccc(Cl)s2)c[nH+]1 ZINC000821029158 632714608 /nfs/dbraw/zinc/71/46/08/632714608.db2.gz ZWUTZCDDCCAULC-HNQUOIGGSA-N 1 2 264.737 3.275 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[NH+]1CC(CC(F)F)C1 ZINC000822520738 632960519 /nfs/dbraw/zinc/96/05/19/632960519.db2.gz OAAJBDMSZZCKRR-UHFFFAOYSA-N 1 2 299.748 3.439 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(F)ncc1F ZINC000822526795 632964145 /nfs/dbraw/zinc/96/41/45/632964145.db2.gz XVURTOJTSHMEIB-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)ncc1F ZINC000822526795 632964154 /nfs/dbraw/zinc/96/41/54/632964154.db2.gz XVURTOJTSHMEIB-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO N#Cc1ccccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000866045953 632983347 /nfs/dbraw/zinc/98/33/47/632983347.db2.gz PIYJMZTXLJMLNS-UHFFFAOYSA-N 1 2 278.359 3.034 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822841764 633025758 /nfs/dbraw/zinc/02/57/58/633025758.db2.gz PPEQRUYXJNMBKX-WDEREUQCSA-N 1 2 261.196 3.196 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822841764 633025759 /nfs/dbraw/zinc/02/57/59/633025759.db2.gz PPEQRUYXJNMBKX-WDEREUQCSA-N 1 2 261.196 3.196 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822996775 633047324 /nfs/dbraw/zinc/04/73/24/633047324.db2.gz CIHCEAKUAPMIHQ-ZIAGYGMSSA-N 1 2 275.396 3.156 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822996775 633047330 /nfs/dbraw/zinc/04/73/30/633047330.db2.gz CIHCEAKUAPMIHQ-ZIAGYGMSSA-N 1 2 275.396 3.156 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(C#N)c1O ZINC000866259202 633047548 /nfs/dbraw/zinc/04/75/48/633047548.db2.gz JOKSLKXHSQSATF-DOMZBBRYSA-N 1 2 278.355 3.254 20 30 CGEDLO CSCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866268977 633054529 /nfs/dbraw/zinc/05/45/29/633054529.db2.gz BWWBSRLUVMURPV-GHMZBOCLSA-N 1 2 264.394 3.056 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866272449 633056098 /nfs/dbraw/zinc/05/60/98/633056098.db2.gz OKYAUIWUMDTAJB-BLLLJJGKSA-N 1 2 281.359 3.461 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C1CCOCC1 ZINC000866277587 633061759 /nfs/dbraw/zinc/06/17/59/633061759.db2.gz NXZBHZWUKRVKDN-WBMJQRKESA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(C#N)c1O ZINC000866311389 633076992 /nfs/dbraw/zinc/07/69/92/633076992.db2.gz JFDKYUWHPDACHA-YVEFUNNKSA-N 1 2 293.370 3.461 20 30 CGEDLO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cccc(C#N)c1O ZINC000866311387 633077263 /nfs/dbraw/zinc/07/72/63/633077263.db2.gz JFDKYUWHPDACHA-SJKOYZFVSA-N 1 2 293.370 3.461 20 30 CGEDLO CCC(C)(C)OCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866369637 633107350 /nfs/dbraw/zinc/10/73/50/633107350.db2.gz LVJPGLGNCGSDOG-LBPRGKRZSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1O ZINC000866373721 633109264 /nfs/dbraw/zinc/10/92/64/633109264.db2.gz QRCWRRWKOTVQJL-JLUCKKNBSA-N 1 2 256.349 3.103 20 30 CGEDLO CCCCCCCS(=O)(=O)NCc1c[nH+]c(C)cc1C ZINC000832633367 634076923 /nfs/dbraw/zinc/07/69/23/634076923.db2.gz BGIOCSDRTGQZJH-UHFFFAOYSA-N 1 2 298.452 3.088 20 30 CGEDLO CCc1nc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)co1 ZINC000834898628 634275062 /nfs/dbraw/zinc/27/50/62/634275062.db2.gz NJBYZXXSYSRLEM-JTQLQIEISA-N 1 2 273.311 3.099 20 30 CGEDLO CC[N@@H+](Cc1cnc2c(F)cccc2c1)C[C@H](C)C#N ZINC000876617285 634868847 /nfs/dbraw/zinc/86/88/47/634868847.db2.gz JDBBSZJKNHOJOL-GFCCVEGCSA-N 1 2 271.339 3.355 20 30 CGEDLO CC[N@H+](Cc1cnc2c(F)cccc2c1)C[C@H](C)C#N ZINC000876617285 634868851 /nfs/dbraw/zinc/86/88/51/634868851.db2.gz JDBBSZJKNHOJOL-GFCCVEGCSA-N 1 2 271.339 3.355 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000876681648 634879827 /nfs/dbraw/zinc/87/98/27/634879827.db2.gz WQZVXQNTBDFHCM-LRDDRELGSA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000876681648 634879830 /nfs/dbraw/zinc/87/98/30/634879830.db2.gz WQZVXQNTBDFHCM-LRDDRELGSA-N 1 2 294.345 3.278 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]CCC(C)(C)SC)C(=O)OCC ZINC000877671927 635141171 /nfs/dbraw/zinc/14/11/71/635141171.db2.gz RXNLBBPRYFDWKU-LLVKDONJSA-N 1 2 293.860 3.182 20 30 CGEDLO C[C@H]1CCC[C@H](C2C[NH+](Cc3nc(C#N)cs3)C2)C1 ZINC000877764011 635192516 /nfs/dbraw/zinc/19/25/16/635192516.db2.gz QRUDCAXFBFTESK-RYUDHWBXSA-N 1 2 275.421 3.273 20 30 CGEDLO N#CC1(CO[NH+]=C(N)Cc2ccc(Cl)cc2)CCC1 ZINC000842027866 635258229 /nfs/dbraw/zinc/25/82/29/635258229.db2.gz DWYJUKRAMOBMEJ-UHFFFAOYSA-N 1 2 277.755 3.075 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188285 635402488 /nfs/dbraw/zinc/40/24/88/635402488.db2.gz GZPHKSALOWUXBC-NOZJJQNGSA-N 1 2 287.190 3.261 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878188285 635402495 /nfs/dbraw/zinc/40/24/95/635402495.db2.gz GZPHKSALOWUXBC-NOZJJQNGSA-N 1 2 287.190 3.261 20 30 CGEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737154 635847479 /nfs/dbraw/zinc/84/74/79/635847479.db2.gz DCGHUOGSQRVFBZ-INIZCTEOSA-N 1 2 261.365 3.035 20 30 CGEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737154 635847481 /nfs/dbraw/zinc/84/74/81/635847481.db2.gz DCGHUOGSQRVFBZ-INIZCTEOSA-N 1 2 261.365 3.035 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C3 ZINC000880369797 635983775 /nfs/dbraw/zinc/98/37/75/635983775.db2.gz PRNMSAVDXQRRRA-QWHCGFSZSA-N 1 2 295.386 3.227 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C3 ZINC000880369797 635983776 /nfs/dbraw/zinc/98/37/76/635983776.db2.gz PRNMSAVDXQRRRA-QWHCGFSZSA-N 1 2 295.386 3.227 20 30 CGEDLO C#CC[C@H](Cc1ccccc1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845559757 636048332 /nfs/dbraw/zinc/04/83/32/636048332.db2.gz ZTRMPMKNDGTDNA-DOTOQJQBSA-N 1 2 296.370 3.012 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000848416723 636571155 /nfs/dbraw/zinc/57/11/55/636571155.db2.gz VNDDBDUVYUDHMB-HIFRSBDPSA-N 1 2 262.401 3.065 20 30 CGEDLO CC(Cc1ccc(Cl)cc1)=NNCCCn1cc[nH+]c1 ZINC000848417805 636572491 /nfs/dbraw/zinc/57/24/91/636572491.db2.gz FRNNURKSGKIWAT-UHFFFAOYSA-N 1 2 290.798 3.135 20 30 CGEDLO C[C@@H]1CC(C)(C)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417724 636573348 /nfs/dbraw/zinc/57/33/48/636573348.db2.gz DKYDRXZQKYBOHF-CYBMUJFWSA-N 1 2 262.401 3.065 20 30 CGEDLO CCc1oc2ccccc2c1C=NNCCCn1cc[nH+]c1 ZINC000848418906 636573395 /nfs/dbraw/zinc/57/33/95/636573395.db2.gz OLYNXNPUSYBRGP-UHFFFAOYSA-N 1 2 296.374 3.206 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1cccc(C#N)c1O ZINC000883249240 636620057 /nfs/dbraw/zinc/62/00/57/636620057.db2.gz ZKDQJHXTAZYCID-TZMCWYRMSA-N 1 2 288.391 3.120 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)O[C@H](C#N)C3CCCCC3)ccn12 ZINC000848781471 636656079 /nfs/dbraw/zinc/65/60/79/636656079.db2.gz KMIQBARLQXWWPV-OAHLLOKOSA-N 1 2 297.358 3.272 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc([N+](=O)[O-])c1 ZINC000133156682 636877084 /nfs/dbraw/zinc/87/70/84/636877084.db2.gz DBEVVPINDKBDDA-BQYQJAHWSA-N 1 2 293.282 3.139 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cn2)CCCCC1 ZINC000886162223 637443340 /nfs/dbraw/zinc/44/33/40/637443340.db2.gz JUDVEGJSSSXYEV-UHFFFAOYSA-N 1 2 263.772 3.299 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000852103874 637597956 /nfs/dbraw/zinc/59/79/56/637597956.db2.gz UJQHAAOHQJPVHO-LRDDRELGSA-N 1 2 269.348 3.189 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)n1 ZINC000852320548 637634205 /nfs/dbraw/zinc/63/42/05/637634205.db2.gz LYRYZBSCKOYHAP-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)n1 ZINC000852320548 637634216 /nfs/dbraw/zinc/63/42/16/637634216.db2.gz LYRYZBSCKOYHAP-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852676907 637694375 /nfs/dbraw/zinc/69/43/75/637694375.db2.gz ULXGXNIIBWEIIX-JTQLQIEISA-N 1 2 280.582 3.369 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(Cl)n1 ZINC000852687035 637697121 /nfs/dbraw/zinc/69/71/21/637697121.db2.gz FFGGFSFBTLMHKG-PHIMTYICSA-N 1 2 254.786 3.480 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(Cl)n1 ZINC000852687035 637697123 /nfs/dbraw/zinc/69/71/23/637697123.db2.gz FFGGFSFBTLMHKG-PHIMTYICSA-N 1 2 254.786 3.480 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(O)[C@H](C)CC ZINC000853323758 637809268 /nfs/dbraw/zinc/80/92/68/637809268.db2.gz LKDZTKLWJMIVMU-PBHICJAKSA-N 1 2 290.407 3.083 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(OCC)sc2=S)C1 ZINC000853536679 637863705 /nfs/dbraw/zinc/86/37/05/637863705.db2.gz HVQXCGAMLXLXMW-NSHDSACASA-N 1 2 299.465 3.318 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(OCC)sc2=S)C1 ZINC000853536679 637863712 /nfs/dbraw/zinc/86/37/12/637863712.db2.gz HVQXCGAMLXLXMW-NSHDSACASA-N 1 2 299.465 3.318 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H](C)F ZINC000853647665 637880522 /nfs/dbraw/zinc/88/05/22/637880522.db2.gz DIUFEEMSAWYJLF-LBPRGKRZSA-N 1 2 250.317 3.034 20 30 CGEDLO C=CCCc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924083707 638297363 /nfs/dbraw/zinc/29/73/63/638297363.db2.gz JRAVZGHQXDZSJE-GFCCVEGCSA-N 1 2 260.341 3.020 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H](C)SC)c1cccc(C#N)c1O ZINC000925600561 638541496 /nfs/dbraw/zinc/54/14/96/638541496.db2.gz HKRDICXDVYRYGB-GXFFZTMASA-N 1 2 264.394 3.056 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+][C@@H](CC)c2cccc(C#N)c2O)CC1 ZINC000926838355 638816456 /nfs/dbraw/zinc/81/64/56/638816456.db2.gz DHLOWZIANUSVRP-QRTARXTBSA-N 1 2 282.387 3.497 20 30 CGEDLO C=CCCN(CCCn1cc[nH+]c1)OCc1ccccc1 ZINC000187381432 638883714 /nfs/dbraw/zinc/88/37/14/638883714.db2.gz GIRARVMPQIQCLV-UHFFFAOYSA-N 1 2 285.391 3.283 20 30 CGEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)sc1C(C)(C)C ZINC000929416279 638924386 /nfs/dbraw/zinc/92/43/86/638924386.db2.gz IIUJBQNSKJQRKU-UHFFFAOYSA-N 1 2 277.437 3.485 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929690813 638941436 /nfs/dbraw/zinc/94/14/36/638941436.db2.gz WFVJIJRBOJYQOG-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929690813 638941438 /nfs/dbraw/zinc/94/14/38/638941438.db2.gz WFVJIJRBOJYQOG-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C=C(C)c1cccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000934874080 639693637 /nfs/dbraw/zinc/69/36/37/639693637.db2.gz KGYDVTMEXGHFCP-ZDUSSCGKSA-N 1 2 284.363 3.126 20 30 CGEDLO C=C(C)c1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000934883828 639700516 /nfs/dbraw/zinc/70/05/16/639700516.db2.gz YTIXFOQQQOIYGJ-OAHLLOKOSA-N 1 2 296.374 3.053 20 30 CGEDLO C=C(Br)C[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000076016162 640166044 /nfs/dbraw/zinc/16/60/44/640166044.db2.gz OBCQEFWBPPARCD-AWEZNQCLSA-N 1 2 298.224 3.259 20 30 CGEDLO C=C(Br)C[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000076016162 640166049 /nfs/dbraw/zinc/16/60/49/640166049.db2.gz OBCQEFWBPPARCD-AWEZNQCLSA-N 1 2 298.224 3.259 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC000077441958 640238920 /nfs/dbraw/zinc/23/89/20/640238920.db2.gz MXGTUNAREAIAQD-UHFFFAOYSA-N 1 2 294.468 3.377 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC000077441958 640238924 /nfs/dbraw/zinc/23/89/24/640238924.db2.gz MXGTUNAREAIAQD-UHFFFAOYSA-N 1 2 294.468 3.377 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cccnc1=S ZINC000192558455 640386531 /nfs/dbraw/zinc/38/65/31/640386531.db2.gz YDQSNVLHGFWOMS-UHFFFAOYSA-N 1 2 271.389 3.258 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cn1cccnc1=S ZINC000192558455 640386536 /nfs/dbraw/zinc/38/65/36/640386536.db2.gz YDQSNVLHGFWOMS-UHFFFAOYSA-N 1 2 271.389 3.258 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000194976788 640560679 /nfs/dbraw/zinc/56/06/79/640560679.db2.gz ZOBFAMBDGOUZIL-SNVBAGLBSA-N 1 2 252.155 3.075 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000194976788 640560680 /nfs/dbraw/zinc/56/06/80/640560680.db2.gz ZOBFAMBDGOUZIL-SNVBAGLBSA-N 1 2 252.155 3.075 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008407953 640950772 /nfs/dbraw/zinc/95/07/72/640950772.db2.gz WJOQMNDYMLEESU-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008407953 640950778 /nfs/dbraw/zinc/95/07/78/640950778.db2.gz WJOQMNDYMLEESU-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3ccccc3C#N)[nH+]c2c1 ZINC001250488579 805648822 /nfs/dbraw/zinc/64/88/22/805648822.db2.gz MNXDRADZDHLLON-UHFFFAOYSA-N 1 2 262.316 3.168 20 30 CGEDLO COc1ccc2c(c1)[nH+]c(CCc1cccc(C#N)c1)n2C ZINC001250582481 805707107 /nfs/dbraw/zinc/70/71/07/805707107.db2.gz YBFBFWYNAKCCIT-UHFFFAOYSA-N 1 2 291.354 3.239 20 30 CGEDLO Cc1ccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)cc1C#N ZINC001250804743 805778957 /nfs/dbraw/zinc/77/89/57/805778957.db2.gz QIEYLDUHAGXPRP-UHFFFAOYSA-N 1 2 276.343 3.476 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC001157299355 805795385 /nfs/dbraw/zinc/79/53/85/805795385.db2.gz RLSOMFGTOQNHNJ-SWLSCSKDSA-N 1 2 285.297 3.394 20 30 CGEDLO C=C(CC)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001159294488 806076244 /nfs/dbraw/zinc/07/62/44/806076244.db2.gz KBONASBZPHYWNR-UHFFFAOYSA-N 1 2 289.766 3.108 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001252602087 806080755 /nfs/dbraw/zinc/08/07/55/806080755.db2.gz LHXHTCLYNSLAHI-JKSUJKDBSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001252602087 806080764 /nfs/dbraw/zinc/08/07/64/806080764.db2.gz LHXHTCLYNSLAHI-JKSUJKDBSA-N 1 2 295.810 3.040 20 30 CGEDLO SCCCNc1[nH+]cnc2[nH]c3ccc(Cl)cc3c21 ZINC001159869951 806188339 /nfs/dbraw/zinc/18/83/39/806188339.db2.gz YERPKYZNEKCQNG-UHFFFAOYSA-N 1 2 292.795 3.496 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001253256609 806199476 /nfs/dbraw/zinc/19/94/76/806199476.db2.gz CLWUZDIAMFJGFP-OAHLLOKOSA-N 1 2 299.455 3.195 20 30 CGEDLO N#C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC001161717373 806430758 /nfs/dbraw/zinc/43/07/58/806430758.db2.gz IGBABIWANQBTEV-MRXNPFEDSA-N 1 2 289.342 3.003 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCC(C(=O)c2ccccc2F)CC1 ZINC001255176896 806570156 /nfs/dbraw/zinc/57/01/56/806570156.db2.gz HTSYLHNQARBMFB-AWEZNQCLSA-N 1 2 288.366 3.413 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC[C@@H]3CCC(F)(F)C3)c2)CC1 ZINC001162647429 806637969 /nfs/dbraw/zinc/63/79/69/806637969.db2.gz ATOZSFLXIGDPAF-LLVKDONJSA-N 1 2 277.318 3.484 20 30 CGEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC001255496573 806651962 /nfs/dbraw/zinc/65/19/62/806651962.db2.gz XDAKCPILPJYWNX-BPCQOVAHSA-N 1 2 287.469 3.042 20 30 CGEDLO CC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C[C@H](C)C#N ZINC000064248850 798905352 /nfs/dbraw/zinc/90/53/52/798905352.db2.gz LNMVWLLDOWIWTH-GFCCVEGCSA-N 1 2 298.386 3.391 20 30 CGEDLO CC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C[C@H](C)C#N ZINC000064248850 798905356 /nfs/dbraw/zinc/90/53/56/798905356.db2.gz LNMVWLLDOWIWTH-GFCCVEGCSA-N 1 2 298.386 3.391 20 30 CGEDLO C=C(Br)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000379579025 799351125 /nfs/dbraw/zinc/35/11/25/799351125.db2.gz VUUNMKFHRDACDW-UHFFFAOYSA-N 1 2 295.995 3.387 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccc(OCC#N)cc1 ZINC000398069863 799525621 /nfs/dbraw/zinc/52/56/21/799525621.db2.gz DFFXMOUUZPANQI-FZMZJTMJSA-N 1 2 280.318 3.427 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(OC)ncc1Br ZINC000934459832 800678877 /nfs/dbraw/zinc/67/88/77/800678877.db2.gz MEDINLLJSLXJRE-NSHDSACASA-N 1 2 297.196 3.003 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(OC)ncc1Br ZINC000934459832 800678881 /nfs/dbraw/zinc/67/88/81/800678881.db2.gz MEDINLLJSLXJRE-NSHDSACASA-N 1 2 297.196 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccsc1C ZINC001027875114 800823229 /nfs/dbraw/zinc/82/32/29/800823229.db2.gz VHTWLHIOZUJXOC-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccsc1C ZINC001027875114 800823232 /nfs/dbraw/zinc/82/32/32/800823232.db2.gz VHTWLHIOZUJXOC-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001039821855 801166755 /nfs/dbraw/zinc/16/67/55/801166755.db2.gz VKVGUWSKIVAMMH-JDPNTUOHSA-N 1 2 296.842 3.016 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001039821855 801166758 /nfs/dbraw/zinc/16/67/58/801166758.db2.gz VKVGUWSKIVAMMH-JDPNTUOHSA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001044138570 801231124 /nfs/dbraw/zinc/23/11/24/801231124.db2.gz SKAAPYMMNLODPH-UHFFFAOYSA-N 1 2 286.419 3.142 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001044378098 801238841 /nfs/dbraw/zinc/23/88/41/801238841.db2.gz WFSHFIMQBPHBHQ-HNNXBMFYSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635148 801318230 /nfs/dbraw/zinc/31/82/30/801318230.db2.gz PSDQGEMQVVSZDO-IIAWOOMASA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635148 801318239 /nfs/dbraw/zinc/31/82/39/801318239.db2.gz PSDQGEMQVVSZDO-IIAWOOMASA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071803753 801554226 /nfs/dbraw/zinc/55/42/26/801554226.db2.gz QSABZTVIIWOKOD-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071803753 801554231 /nfs/dbraw/zinc/55/42/31/801554231.db2.gz QSABZTVIIWOKOD-UONOGXRCSA-N 1 2 296.842 3.064 20 30 CGEDLO N#Cc1cc(C#N)cc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245197387 803661196 /nfs/dbraw/zinc/66/11/96/803661196.db2.gz RNWQELVFXVEBAQ-UHFFFAOYSA-N 1 2 284.322 3.342 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985355 803668241 /nfs/dbraw/zinc/66/82/41/803668241.db2.gz CUFUKFNMKHEJRH-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985355 803668243 /nfs/dbraw/zinc/66/82/43/803668243.db2.gz CUFUKFNMKHEJRH-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO CC(C)n1cc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001137078011 803680290 /nfs/dbraw/zinc/68/02/90/803680290.db2.gz SWNZTXZSWWPGMW-UHFFFAOYSA-N 1 2 260.385 3.122 20 30 CGEDLO CC(C)n1cc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001137078011 803680292 /nfs/dbraw/zinc/68/02/92/803680292.db2.gz SWNZTXZSWWPGMW-UHFFFAOYSA-N 1 2 260.385 3.122 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2cccc(F)c2)c(C#N)c1 ZINC001137699936 803761188 /nfs/dbraw/zinc/76/11/88/803761188.db2.gz ZIAOEKBRYUTEIY-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2)c(C#N)c1 ZINC001137699936 803761193 /nfs/dbraw/zinc/76/11/93/803761193.db2.gz ZIAOEKBRYUTEIY-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO Cc1cc(-c2ncc(C#N)c3ccccc32)c[nH+]c1N ZINC001245535845 803793929 /nfs/dbraw/zinc/79/39/29/803793929.db2.gz GOKHUCPDOYTTHR-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO Cc1cc(-c2ccc3ncccc3c2C#N)c[nH+]c1N ZINC001245538945 803797328 /nfs/dbraw/zinc/79/73/28/803797328.db2.gz AMKCUNAEAAFLJS-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO C(#Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1)c1ccccc1 ZINC001138336476 803898723 /nfs/dbraw/zinc/89/87/23/803898723.db2.gz SWSRVFIUWANJFG-UXHICEINSA-N 1 2 289.378 3.060 20 30 CGEDLO C(#Cc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1)c1ccccc1 ZINC001138336476 803898731 /nfs/dbraw/zinc/89/87/31/803898731.db2.gz SWSRVFIUWANJFG-UXHICEINSA-N 1 2 289.378 3.060 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)CC1 ZINC001138906569 804069454 /nfs/dbraw/zinc/06/94/54/804069454.db2.gz ZTEXNISZDPLKDO-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(Br)o2)CC1 ZINC001138906569 804069465 /nfs/dbraw/zinc/06/94/65/804069465.db2.gz ZTEXNISZDPLKDO-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO C[N@H+](Cc1cccnc1)Cc1cccc(C#N)c1Cl ZINC001140806466 804523627 /nfs/dbraw/zinc/52/36/27/804523627.db2.gz JKOQOKLEQGTQRY-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1Cl ZINC001140806466 804523632 /nfs/dbraw/zinc/52/36/32/804523632.db2.gz JKOQOKLEQGTQRY-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO COc1ccc(-c2cccc(C[N@@H+]3CC[C@H](C#N)C3)n2)cc1 ZINC001140958897 804557500 /nfs/dbraw/zinc/55/75/00/804557500.db2.gz GDDIKIJEYRKPSL-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1ccc(-c2cccc(C[N@H+]3CC[C@H](C#N)C3)n2)cc1 ZINC001140958897 804557505 /nfs/dbraw/zinc/55/75/05/804557505.db2.gz GDDIKIJEYRKPSL-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002241 804566603 /nfs/dbraw/zinc/56/66/03/804566603.db2.gz PTKMDTDOJBNBFT-GFCCVEGCSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002241 804566607 /nfs/dbraw/zinc/56/66/07/804566607.db2.gz PTKMDTDOJBNBFT-GFCCVEGCSA-N 1 2 269.373 3.156 20 30 CGEDLO CCCCc1[nH]cc(CN2CCc3cc(C#N)ccc3C2)[nH+]1 ZINC001141067788 804583528 /nfs/dbraw/zinc/58/35/28/804583528.db2.gz NTJKBFSIWDHSID-UHFFFAOYSA-N 1 2 294.402 3.182 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001141166549 804602972 /nfs/dbraw/zinc/60/29/72/804602972.db2.gz VIRUTEHJHMLNHA-NSHDSACASA-N 1 2 268.282 3.174 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001141166549 804602978 /nfs/dbraw/zinc/60/29/78/804602978.db2.gz VIRUTEHJHMLNHA-NSHDSACASA-N 1 2 268.282 3.174 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141182320 804605283 /nfs/dbraw/zinc/60/52/83/804605283.db2.gz NWSICDSKSFXGPO-UHFFFAOYSA-N 1 2 258.365 3.136 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141182320 804605287 /nfs/dbraw/zinc/60/52/87/804605287.db2.gz NWSICDSKSFXGPO-UHFFFAOYSA-N 1 2 258.365 3.136 20 30 CGEDLO CSc1nc(C[N@H+](Cc2ccco2)C2CC2)ccc1C#N ZINC001141944058 804682200 /nfs/dbraw/zinc/68/22/00/804682200.db2.gz VYQUEYWYQAOPGU-UHFFFAOYSA-N 1 2 299.399 3.433 20 30 CGEDLO CSc1nc(C[N@@H+](Cc2ccco2)C2CC2)ccc1C#N ZINC001141944058 804682201 /nfs/dbraw/zinc/68/22/01/804682201.db2.gz VYQUEYWYQAOPGU-UHFFFAOYSA-N 1 2 299.399 3.433 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143978089 804918350 /nfs/dbraw/zinc/91/83/50/804918350.db2.gz OGCHYTBESKHTCA-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143978089 804918357 /nfs/dbraw/zinc/91/83/57/804918357.db2.gz OGCHYTBESKHTCA-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1=S ZINC001248447507 804933584 /nfs/dbraw/zinc/93/35/84/804933584.db2.gz XWLHZRODRDTQSP-KGLIPLIRSA-N 1 2 292.452 3.070 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1=S ZINC001248447507 804933586 /nfs/dbraw/zinc/93/35/86/804933586.db2.gz XWLHZRODRDTQSP-KGLIPLIRSA-N 1 2 292.452 3.070 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131419 804942459 /nfs/dbraw/zinc/94/24/59/804942459.db2.gz ZPBMKCYYROUADT-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2F)C1 ZINC001144131419 804942460 /nfs/dbraw/zinc/94/24/60/804942460.db2.gz ZPBMKCYYROUADT-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)CC1 ZINC001144531291 804998918 /nfs/dbraw/zinc/99/89/18/804998918.db2.gz UVKCHVKZCBOVHU-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)CC1 ZINC001144531291 804998921 /nfs/dbraw/zinc/99/89/21/804998921.db2.gz UVKCHVKZCBOVHU-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(OC)ccc1Br ZINC001144609143 805013813 /nfs/dbraw/zinc/01/38/13/805013813.db2.gz ALAAPHKNMAOJJD-UHFFFAOYSA-N 1 2 299.212 3.251 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(OC)ccc1Br ZINC001144609143 805013825 /nfs/dbraw/zinc/01/38/25/805013825.db2.gz ALAAPHKNMAOJJD-UHFFFAOYSA-N 1 2 299.212 3.251 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144729999 805044205 /nfs/dbraw/zinc/04/42/05/805044205.db2.gz WSSYNUYPTNNXOS-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2Cl)C1 ZINC001144729999 805044216 /nfs/dbraw/zinc/04/42/16/805044216.db2.gz WSSYNUYPTNNXOS-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C=CC[N@@H+](Cc1nc2ccc(OC)cc2[nH]1)C(C)(C)C ZINC001249416005 805145420 /nfs/dbraw/zinc/14/54/20/805145420.db2.gz WKJRBLWHKAPQQQ-UHFFFAOYSA-N 1 2 273.380 3.358 20 30 CGEDLO C=CC[N@H+](Cc1nc2ccc(OC)cc2[nH]1)C(C)(C)C ZINC001249416005 805145426 /nfs/dbraw/zinc/14/54/26/805145426.db2.gz WKJRBLWHKAPQQQ-UHFFFAOYSA-N 1 2 273.380 3.358 20 30 CGEDLO C[C@]1(F)CC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@@H]1F ZINC001249427103 805147249 /nfs/dbraw/zinc/14/72/49/805147249.db2.gz QJPPWXLZNWHYNL-HOTGVXAUSA-N 1 2 289.329 3.312 20 30 CGEDLO C[C@]1(F)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@@H]1F ZINC001249427103 805147258 /nfs/dbraw/zinc/14/72/58/805147258.db2.gz QJPPWXLZNWHYNL-HOTGVXAUSA-N 1 2 289.329 3.312 20 30 CGEDLO C#Cc1cc(Nc2cccc(Br)c2F)cc[nH+]1 ZINC001249686488 805211515 /nfs/dbraw/zinc/21/15/15/805211515.db2.gz RSJWGMQLBPVYRQ-UHFFFAOYSA-N 1 2 291.123 3.130 20 30 CGEDLO CCN(Cc1ccccc1O)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001154889292 805504796 /nfs/dbraw/zinc/50/47/96/805504796.db2.gz VAQWGIOVSSHYCC-UHFFFAOYSA-N 1 2 292.342 3.167 20 30 CGEDLO CCCCC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257513284 807188455 /nfs/dbraw/zinc/18/84/55/807188455.db2.gz SCTMOZQDQUHOAR-WCQYABFASA-N 1 2 253.411 3.229 20 30 CGEDLO CCCCC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257513284 807188457 /nfs/dbraw/zinc/18/84/57/807188457.db2.gz SCTMOZQDQUHOAR-WCQYABFASA-N 1 2 253.411 3.229 20 30 CGEDLO C[C@H](Nc1ccc(N(C)C)c[nH+]1)c1cccc(C#N)c1 ZINC001167711164 807231728 /nfs/dbraw/zinc/23/17/28/807231728.db2.gz YHMXNYIVHANOHR-LBPRGKRZSA-N 1 2 266.348 3.192 20 30 CGEDLO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4SC(=O)C=C4C3)C[C@H](C1)C2 ZINC001257890991 807241348 /nfs/dbraw/zinc/24/13/48/807241348.db2.gz CVYIKVKIIMUHIJ-MRKMAMSISA-N 1 2 289.444 3.395 20 30 CGEDLO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4SC(=O)C=C4C3)C[C@H](C1)C2 ZINC001257890991 807241351 /nfs/dbraw/zinc/24/13/51/807241351.db2.gz CVYIKVKIIMUHIJ-MRKMAMSISA-N 1 2 289.444 3.395 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001167844334 807261335 /nfs/dbraw/zinc/26/13/35/807261335.db2.gz MKYJJKBUZIKYIR-HDJSIYSDSA-N 1 2 270.380 3.176 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(CCC)CC1)C(=O)OCC ZINC001258529597 807485750 /nfs/dbraw/zinc/48/57/50/807485750.db2.gz SLYNHAXUOBGUDL-CLKYRPBMSA-N 1 2 279.424 3.443 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734985 807500195 /nfs/dbraw/zinc/50/01/95/807500195.db2.gz NPFLKZASBPNGFN-WCQYABFASA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734985 807500198 /nfs/dbraw/zinc/50/01/98/807500198.db2.gz NPFLKZASBPNGFN-WCQYABFASA-N 1 2 260.768 3.043 20 30 CGEDLO CC[C@H](C#N)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169282493 807621491 /nfs/dbraw/zinc/62/14/91/807621491.db2.gz CNWGQJAKYXFXRB-QQFBHYJXSA-N 1 2 286.375 3.046 20 30 CGEDLO Cc1ccc2c(Nc3oncc3C#N)cccc2[nH+]1 ZINC001212794861 815140984 /nfs/dbraw/zinc/14/09/84/815140984.db2.gz AEGCXXWFFLWOAC-UHFFFAOYSA-N 1 2 250.261 3.147 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700903 807877750 /nfs/dbraw/zinc/87/77/50/807877750.db2.gz OJGUCIISVAXZRS-RISCZKNCSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700903 807877758 /nfs/dbraw/zinc/87/77/58/807877758.db2.gz OJGUCIISVAXZRS-RISCZKNCSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381712 808040251 /nfs/dbraw/zinc/04/02/51/808040251.db2.gz GKSYEIOQNUWPLR-CJNGLKHVSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381712 808040256 /nfs/dbraw/zinc/04/02/56/808040256.db2.gz GKSYEIOQNUWPLR-CJNGLKHVSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381711 808041633 /nfs/dbraw/zinc/04/16/33/808041633.db2.gz GKSYEIOQNUWPLR-BBRMVZONSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171381711 808041638 /nfs/dbraw/zinc/04/16/38/808041638.db2.gz GKSYEIOQNUWPLR-BBRMVZONSA-N 1 2 276.330 3.058 20 30 CGEDLO CCCCCCCC[C@@H](CC)N1CC[NH2+]C[C@@H]1C#N ZINC001172505906 808361690 /nfs/dbraw/zinc/36/16/90/808361690.db2.gz XAZJXRJRGFMMSO-CVEARBPZSA-N 1 2 265.445 3.313 20 30 CGEDLO COc1ccc(Nc2cccc3[nH+]c[nH]c32)c(C#N)c1 ZINC001213032224 815205859 /nfs/dbraw/zinc/20/58/59/815205859.db2.gz YSWGBLHDQDTHQS-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([NH2+][C@@](C)(C#N)C(C)C)CC2 ZINC001172827471 808449244 /nfs/dbraw/zinc/44/92/44/808449244.db2.gz AZBLTEPOTLHYFZ-IRXDYDNUSA-N 1 2 256.393 3.380 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCCC)[C@H]1C ZINC001284103053 809296496 /nfs/dbraw/zinc/29/64/96/809296496.db2.gz RNENTOYBHLXRSE-KGLIPLIRSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCCC)[C@H]1C ZINC001284103053 809296498 /nfs/dbraw/zinc/29/64/98/809296498.db2.gz RNENTOYBHLXRSE-KGLIPLIRSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCCC)[C@H]1C ZINC001284103055 809296511 /nfs/dbraw/zinc/29/65/11/809296511.db2.gz RNENTOYBHLXRSE-ZIAGYGMSSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCCC)[C@H]1C ZINC001284103055 809296514 /nfs/dbraw/zinc/29/65/14/809296514.db2.gz RNENTOYBHLXRSE-ZIAGYGMSSA-N 1 2 286.847 3.288 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2ccc(N)c(C#N)c2)cc1 ZINC001213445543 815282856 /nfs/dbraw/zinc/28/28/56/815282856.db2.gz GVABMYWXMBFAKC-UHFFFAOYSA-N 1 2 266.348 3.340 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2ccc(N)c(C#N)c2)cc1 ZINC001213445543 815282862 /nfs/dbraw/zinc/28/28/62/815282862.db2.gz GVABMYWXMBFAKC-UHFFFAOYSA-N 1 2 266.348 3.340 20 30 CGEDLO COc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1 ZINC001175351267 809372640 /nfs/dbraw/zinc/37/26/40/809372640.db2.gz OTVHOWQMTGBZAD-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1noc(Nc2cc(C3CC3)c[nH+]c2C)c1C#N ZINC001213489937 815288588 /nfs/dbraw/zinc/28/85/88/815288588.db2.gz XCHYNIWJZIURLK-UHFFFAOYSA-N 1 2 254.293 3.179 20 30 CGEDLO C#Cc1cc(Nc2cccc(OCCC)c2)cc[nH+]1 ZINC001175598758 809470026 /nfs/dbraw/zinc/47/00/26/809470026.db2.gz QDGQXQYZOBNMEE-UHFFFAOYSA-N 1 2 252.317 3.017 20 30 CGEDLO N#Cc1cccc(F)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749120 809756829 /nfs/dbraw/zinc/75/68/29/809756829.db2.gz VSEPPBFVFILQHI-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC001176833575 809763758 /nfs/dbraw/zinc/76/37/58/809763758.db2.gz XLXQXCAOLPCMSV-HNNXBMFYSA-N 1 2 296.370 3.338 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(OC)cc2)o1 ZINC001176833575 809763761 /nfs/dbraw/zinc/76/37/61/809763761.db2.gz XLXQXCAOLPCMSV-HNNXBMFYSA-N 1 2 296.370 3.338 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001177027410 809776159 /nfs/dbraw/zinc/77/61/59/809776159.db2.gz JRPILWZHMYFJAQ-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001177027410 809776162 /nfs/dbraw/zinc/77/61/62/809776162.db2.gz JRPILWZHMYFJAQ-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)CC#N ZINC001179478384 809923944 /nfs/dbraw/zinc/92/39/44/809923944.db2.gz AJGDHMLKEZMVCG-CYBMUJFWSA-N 1 2 281.359 3.149 20 30 CGEDLO CC(C)COC1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001180345373 809995512 /nfs/dbraw/zinc/99/55/12/809995512.db2.gz WMCMGBABNGZAPZ-UHFFFAOYSA-N 1 2 284.403 3.099 20 30 CGEDLO Fc1cc2c(c(F)c1)[C@@H]([NH2+]CC#Cc1ccccc1)CO2 ZINC001180820685 810023345 /nfs/dbraw/zinc/02/33/45/810023345.db2.gz RASFUKLDMOMQEM-HNNXBMFYSA-N 1 2 285.293 3.040 20 30 CGEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccncc1C#N ZINC001214009903 815355928 /nfs/dbraw/zinc/35/59/28/815355928.db2.gz QUCCRABGGXHOKH-UHFFFAOYSA-N 1 2 266.348 3.021 20 30 CGEDLO N#Cc1sccc1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190074307 810607120 /nfs/dbraw/zinc/60/71/20/810607120.db2.gz CBYQTOSWKSTYAL-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO CCCCCCCCNC(=O)NCc1c[nH+]cn1CCF ZINC001191081790 810671937 /nfs/dbraw/zinc/67/19/37/810671937.db2.gz ZPOUAGXKOCZWKQ-UHFFFAOYSA-N 1 2 298.406 3.012 20 30 CGEDLO C=CCCCCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC001193105571 810858358 /nfs/dbraw/zinc/85/83/58/810858358.db2.gz ZOYHULQGCQHLND-UHFFFAOYSA-N 1 2 290.382 3.221 20 30 CGEDLO C=CCCCCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC001193105571 810858369 /nfs/dbraw/zinc/85/83/69/810858369.db2.gz ZOYHULQGCQHLND-UHFFFAOYSA-N 1 2 290.382 3.221 20 30 CGEDLO CCCCCCCOC(=O)N(CC)CCn1cc[nH+]c1 ZINC001194004283 810999105 /nfs/dbraw/zinc/99/91/05/810999105.db2.gz LSTQBOPZJXCHRW-UHFFFAOYSA-N 1 2 281.400 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(CC)CC)CC1 ZINC001197586154 811431124 /nfs/dbraw/zinc/43/11/24/811431124.db2.gz CMBBYGHFPCJZSJ-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(CC)CC)CC1 ZINC001197586154 811431134 /nfs/dbraw/zinc/43/11/34/811431134.db2.gz CMBBYGHFPCJZSJ-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO CCCCCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001201839251 811969349 /nfs/dbraw/zinc/96/93/49/811969349.db2.gz IYZQUJCOUYSLHC-ZDUSSCGKSA-N 1 2 263.372 3.439 20 30 CGEDLO CCCCCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001201839251 811969352 /nfs/dbraw/zinc/96/93/52/811969352.db2.gz IYZQUJCOUYSLHC-ZDUSSCGKSA-N 1 2 263.372 3.439 20 30 CGEDLO COC(=O)c1cc(Nc2cc(C)c[nH+]c2C)ccc1C#N ZINC001203667546 812424163 /nfs/dbraw/zinc/42/41/63/812424163.db2.gz NPBJIBWPNNXQGH-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(F)c(C#N)c(F)c1 ZINC001203668003 812424222 /nfs/dbraw/zinc/42/42/22/812424222.db2.gz FYIGEEDUIGPDNF-UHFFFAOYSA-N 1 2 275.258 3.374 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(n1)CCC2 ZINC001204488737 812654857 /nfs/dbraw/zinc/65/48/57/812654857.db2.gz OXNAIQRYNYMEQS-UHFFFAOYSA-N 1 2 294.373 3.345 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(n1)CCC2 ZINC001204488737 812654859 /nfs/dbraw/zinc/65/48/59/812654859.db2.gz OXNAIQRYNYMEQS-UHFFFAOYSA-N 1 2 294.373 3.345 20 30 CGEDLO Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)c(C#N)c1 ZINC001242592017 823050070 /nfs/dbraw/zinc/05/00/70/823050070.db2.gz ZDWHWOMGDGLHOT-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#CCc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC001206441604 813322638 /nfs/dbraw/zinc/32/26/38/813322638.db2.gz YCRWDHKFZFNZHA-UHFFFAOYSA-N 1 2 288.297 3.026 20 30 CGEDLO N#Cc1cc(Nc2cc[nH+]c3ccc(Cl)cc23)ccn1 ZINC001206590506 813367906 /nfs/dbraw/zinc/36/79/06/813367906.db2.gz SHQNRTOHXQUUEY-UHFFFAOYSA-N 1 2 280.718 3.320 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]CCCCC(C)C)C(=O)OCC ZINC001207129237 813492859 /nfs/dbraw/zinc/49/28/59/813492859.db2.gz LSAYMEXGEOUYGH-CYBMUJFWSA-N 1 2 275.820 3.477 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(C)CC1)C(=O)OCC ZINC001207129755 813492988 /nfs/dbraw/zinc/49/29/88/813492988.db2.gz RHCGEFIDNMNHJS-KGPNIALWSA-N 1 2 273.804 3.229 20 30 CGEDLO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@H]1C#N ZINC001207678553 813634135 /nfs/dbraw/zinc/63/41/35/813634135.db2.gz NXGWJYDZZSHBLR-LSDHHAIUSA-N 1 2 266.429 3.332 20 30 CGEDLO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@H]1C#N ZINC001207678553 813634142 /nfs/dbraw/zinc/63/41/42/813634142.db2.gz NXGWJYDZZSHBLR-LSDHHAIUSA-N 1 2 266.429 3.332 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2ncccn2)CC1 ZINC001208171252 813723609 /nfs/dbraw/zinc/72/36/09/813723609.db2.gz RHVVDZYGXRJOBC-OAHLLOKOSA-N 1 2 257.381 3.211 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2ncccn2)CC1 ZINC001208171252 813723615 /nfs/dbraw/zinc/72/36/15/813723615.db2.gz RHVVDZYGXRJOBC-OAHLLOKOSA-N 1 2 257.381 3.211 20 30 CGEDLO CCc1ccc(C)[nH+]c1Nc1cnc(C#N)c(C)c1 ZINC001210201104 814335279 /nfs/dbraw/zinc/33/52/79/814335279.db2.gz LJUNWJTUHWTPDO-UHFFFAOYSA-N 1 2 252.321 3.271 20 30 CGEDLO CCCCCCC[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210224555 814353092 /nfs/dbraw/zinc/35/30/92/814353092.db2.gz ATXAZGNBPUOFRZ-INIZCTEOSA-N 1 2 271.445 3.474 20 30 CGEDLO Cc1cc(C#N)ccc1Nc1ccc2c(c1)[nH+]cn2C ZINC001210375963 814431127 /nfs/dbraw/zinc/43/11/27/814431127.db2.gz DKWLKBDLXGTVAF-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO Cc1cn2cccc(Nc3ccc(F)cc3C#N)c2[nH+]1 ZINC001210551831 814521425 /nfs/dbraw/zinc/52/14/25/814521425.db2.gz URWKLXVZJQZTIJ-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccc(F)cc3C#N)ccc21 ZINC001210555340 814523500 /nfs/dbraw/zinc/52/35/00/814523500.db2.gz YXSUHLJNEUUUSX-UHFFFAOYSA-N 1 2 266.279 3.328 20 30 CGEDLO C=CCCCCCCCN1CC[NH2+]CC(F)(F)C1 ZINC001210815241 814640929 /nfs/dbraw/zinc/64/09/29/814640929.db2.gz QJXHBQWXGCIKAZ-UHFFFAOYSA-N 1 2 260.372 3.054 20 30 CGEDLO CC(C)(C)c1cccc(C#N)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218010384 816050789 /nfs/dbraw/zinc/05/07/89/816050789.db2.gz NVBVWKNBWFILGP-CYBMUJFWSA-N 1 2 294.345 3.232 20 30 CGEDLO CC(C)c1c(C#N)cccc1O[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218280195 816150961 /nfs/dbraw/zinc/15/09/61/816150961.db2.gz YQOBWTXRBUZOHH-LBPRGKRZSA-N 1 2 280.318 3.058 20 30 CGEDLO CCC[C@H](C#Cc1ccccc1)OCc1c[nH+]cn1C ZINC001222599379 816474464 /nfs/dbraw/zinc/47/44/64/816474464.db2.gz AAMTWTMNEXPTCZ-QGZVFWFLSA-N 1 2 268.360 3.157 20 30 CGEDLO C(#Cc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2)c1ccccc1 ZINC001231578466 818127762 /nfs/dbraw/zinc/12/77/62/818127762.db2.gz OXTINEGFDCSFEJ-BGYRXZFFSA-N 1 2 289.378 3.060 20 30 CGEDLO C(#Cc1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2)c1ccccc1 ZINC001231578466 818127766 /nfs/dbraw/zinc/12/77/66/818127766.db2.gz OXTINEGFDCSFEJ-BGYRXZFFSA-N 1 2 289.378 3.060 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC001231662068 818151715 /nfs/dbraw/zinc/15/17/15/818151715.db2.gz DLXRFMRNQRHQKE-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO C#Cc1cccc(C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC001231662068 818151720 /nfs/dbraw/zinc/15/17/20/818151720.db2.gz DLXRFMRNQRHQKE-UHFFFAOYSA-N 1 2 251.304 3.323 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001232071752 818245500 /nfs/dbraw/zinc/24/55/00/818245500.db2.gz OCYTYLNZMZBKNH-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)n2)C1 ZINC001232071752 818245506 /nfs/dbraw/zinc/24/55/06/818245506.db2.gz OCYTYLNZMZBKNH-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO C[N@H+](Cc1cncs1)Cc1ccc(C#N)c(Cl)c1 ZINC001232117618 818259850 /nfs/dbraw/zinc/25/98/50/818259850.db2.gz BTMPCMDFOISURK-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cncs1)Cc1ccc(C#N)c(Cl)c1 ZINC001232117618 818259851 /nfs/dbraw/zinc/25/98/51/818259851.db2.gz BTMPCMDFOISURK-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(SC)cc1C ZINC001232345310 818323823 /nfs/dbraw/zinc/32/38/23/818323823.db2.gz ABYQONMGFUPNBC-UHFFFAOYSA-N 1 2 263.410 3.238 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(SC)cc1C ZINC001232345310 818323825 /nfs/dbraw/zinc/32/38/25/818323825.db2.gz ABYQONMGFUPNBC-UHFFFAOYSA-N 1 2 263.410 3.238 20 30 CGEDLO CCc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678609 818416837 /nfs/dbraw/zinc/41/68/37/818416837.db2.gz JQVWKOBEOSYPJP-UHFFFAOYSA-N 1 2 280.371 3.458 20 30 CGEDLO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678609 818416843 /nfs/dbraw/zinc/41/68/43/818416843.db2.gz JQVWKOBEOSYPJP-UHFFFAOYSA-N 1 2 280.371 3.458 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2O)CCC1(F)F ZINC001232674797 818417405 /nfs/dbraw/zinc/41/74/05/818417405.db2.gz FCNLTKKWAJPFIV-UHFFFAOYSA-N 1 2 280.318 3.131 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2O)CCC1(F)F ZINC001232674797 818417408 /nfs/dbraw/zinc/41/74/08/818417408.db2.gz FCNLTKKWAJPFIV-UHFFFAOYSA-N 1 2 280.318 3.131 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(C#N)c1 ZINC001232963513 818484743 /nfs/dbraw/zinc/48/47/43/818484743.db2.gz IFMOJXLUPVTZNV-UHFFFAOYSA-N 1 2 287.366 3.297 20 30 CGEDLO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(C#N)c1 ZINC001232963513 818484748 /nfs/dbraw/zinc/48/47/48/818484748.db2.gz IFMOJXLUPVTZNV-UHFFFAOYSA-N 1 2 287.366 3.297 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001233047643 818509988 /nfs/dbraw/zinc/50/99/88/818509988.db2.gz GJAZNJJEMOXJOT-QGZVFWFLSA-N 1 2 295.386 3.068 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001233047643 818509996 /nfs/dbraw/zinc/50/99/96/818509996.db2.gz GJAZNJJEMOXJOT-QGZVFWFLSA-N 1 2 295.386 3.068 20 30 CGEDLO CCOc1ncc(Cl)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001233172294 818535497 /nfs/dbraw/zinc/53/54/97/818535497.db2.gz PPANSXHCYDBGIP-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO CCOc1ncc(Cl)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001233172294 818535500 /nfs/dbraw/zinc/53/55/00/818535500.db2.gz PPANSXHCYDBGIP-GFCCVEGCSA-N 1 2 293.798 3.259 20 30 CGEDLO Cc1nc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2s1 ZINC001235860513 819188233 /nfs/dbraw/zinc/18/82/33/819188233.db2.gz ZCJDZFXIBMJCRA-HNNXBMFYSA-N 1 2 271.389 3.340 20 30 CGEDLO Cc1nc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2s1 ZINC001235860513 819188237 /nfs/dbraw/zinc/18/82/37/819188237.db2.gz ZCJDZFXIBMJCRA-HNNXBMFYSA-N 1 2 271.389 3.340 20 30 CGEDLO N#CC1(c2ccc(-c3nc4[nH]ccc4c[nH+]3)cc2)CC1 ZINC001243418858 823399232 /nfs/dbraw/zinc/39/92/32/823399232.db2.gz FFRJHHZRNOBBAT-UHFFFAOYSA-N 1 2 260.300 3.132 20 30 CGEDLO COc1ccc(C#N)cc1-c1cccc2[nH+]c(C)cn21 ZINC001236539928 819528926 /nfs/dbraw/zinc/52/89/26/819528926.db2.gz BQAWYHBKMJHDMK-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1cccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1Cl ZINC001236852801 819621390 /nfs/dbraw/zinc/62/13/90/819621390.db2.gz DTXCQVBHXJFIRA-ZDUSSCGKSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1Cl ZINC001236852801 819621392 /nfs/dbraw/zinc/62/13/92/819621392.db2.gz DTXCQVBHXJFIRA-ZDUSSCGKSA-N 1 2 293.819 3.423 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237074516 819659770 /nfs/dbraw/zinc/65/97/70/819659770.db2.gz RAAFVCDXKGQCCQ-CYBMUJFWSA-N 1 2 266.344 3.281 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237074516 819659774 /nfs/dbraw/zinc/65/97/74/819659774.db2.gz RAAFVCDXKGQCCQ-CYBMUJFWSA-N 1 2 266.344 3.281 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(F)cc1F ZINC001237526539 819772277 /nfs/dbraw/zinc/77/22/77/819772277.db2.gz CGUCQATWCILQKR-JTQLQIEISA-N 1 2 290.235 3.221 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(F)cc1F ZINC001237526539 819772279 /nfs/dbraw/zinc/77/22/79/819772279.db2.gz CGUCQATWCILQKR-JTQLQIEISA-N 1 2 290.235 3.221 20 30 CGEDLO CCc1ncc(C[N@@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001237821161 819853192 /nfs/dbraw/zinc/85/31/92/819853192.db2.gz KEYIJAKUAJVOAC-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO CCc1ncc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001237821161 819853202 /nfs/dbraw/zinc/85/32/02/819853202.db2.gz KEYIJAKUAJVOAC-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937389 819887204 /nfs/dbraw/zinc/88/72/04/819887204.db2.gz PTVVGKRZCWCPQU-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237937389 819887210 /nfs/dbraw/zinc/88/72/10/819887210.db2.gz PTVVGKRZCWCPQU-JTQLQIEISA-N 1 2 282.746 3.310 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC001238082232 819926996 /nfs/dbraw/zinc/92/69/96/819926996.db2.gz GPACWJHVMZKFGX-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC001238082232 819927001 /nfs/dbraw/zinc/92/70/01/819927001.db2.gz GPACWJHVMZKFGX-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001238608679 820058212 /nfs/dbraw/zinc/05/82/12/820058212.db2.gz XVIZMURQSVISRT-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C#N)C1 ZINC001238608679 820058220 /nfs/dbraw/zinc/05/82/20/820058220.db2.gz XVIZMURQSVISRT-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO Cc1cc(-c2ccccc2OCC#N)c2[nH+]ccn2c1 ZINC001243585074 823456001 /nfs/dbraw/zinc/45/60/01/823456001.db2.gz WYVIGKKMBLKLTR-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238992310 820185416 /nfs/dbraw/zinc/18/54/16/820185416.db2.gz KBZIRAUOWAMRSG-UHFFFAOYSA-N 1 2 278.290 3.160 20 30 CGEDLO CCCCCCCNC(=O)N1CC[NH2+]C2=CCCC[C@@H]21 ZINC001239309147 820258764 /nfs/dbraw/zinc/25/87/64/820258764.db2.gz LXWCUBLIACUKJF-HNNXBMFYSA-N 1 2 279.428 3.008 20 30 CGEDLO CCCCCCCCOC(=O)N[C@@H]1CC[NH2+]CC1(F)F ZINC001239320022 820267992 /nfs/dbraw/zinc/26/79/92/820267992.db2.gz BSDHMUQHYJWWLG-GFCCVEGCSA-N 1 2 292.370 3.070 20 30 CGEDLO CC(C)(C#N)c1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240510741 821104804 /nfs/dbraw/zinc/10/48/04/821104804.db2.gz QMPKPMXJSAXAOT-UHFFFAOYSA-N 1 2 262.316 3.197 20 30 CGEDLO CCc1cc(-c2cc[nH+]c(N)c2)cc(CC)c1C#N ZINC001241170134 821614356 /nfs/dbraw/zinc/61/43/56/821614356.db2.gz JWKFKDPLRQROGU-UHFFFAOYSA-N 1 2 251.333 3.327 20 30 CGEDLO N#CCc1cc(C(F)(F)F)ccc1-c1cc[nH+]c(N)c1 ZINC001241170262 821614494 /nfs/dbraw/zinc/61/44/94/821614494.db2.gz ZUTQGMIAHGIKNT-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO C#Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001241919465 822217963 /nfs/dbraw/zinc/21/79/63/822217963.db2.gz HYYHMNZEKLRULT-UHFFFAOYSA-N 1 2 295.357 3.306 20 30 CGEDLO Cc1cc(-c2ccc3ncnc(C#N)c3c2)cc(C)[nH+]1 ZINC001241992385 822261188 /nfs/dbraw/zinc/26/11/88/822261188.db2.gz JGLKCJVJZIBRIQ-UHFFFAOYSA-N 1 2 260.300 3.180 20 30 CGEDLO Cc1cccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)n1 ZINC001330141857 935272260 /nfs/dbraw/zinc/27/22/60/935272260.db2.gz FLWXWOGKQFVDOV-UHFFFAOYSA-N 1 2 280.375 3.436 20 30 CGEDLO C=CCCC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)c1ccccc1 ZINC001340970334 936421796 /nfs/dbraw/zinc/42/17/96/936421796.db2.gz ZLVHMWBXTIVEDV-KGLIPLIRSA-N 1 2 296.361 3.183 20 30 CGEDLO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC001341067636 936426303 /nfs/dbraw/zinc/42/63/03/936426303.db2.gz PYBXYVCAJCWUFR-UHFFFAOYSA-N 1 2 278.739 3.093 20 30 CGEDLO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC001341067636 936426304 /nfs/dbraw/zinc/42/63/04/936426304.db2.gz PYBXYVCAJCWUFR-UHFFFAOYSA-N 1 2 278.739 3.093 20 30 CGEDLO CC(Cc1ccccc1Cl)=NNCCCn1cc[nH+]c1 ZINC001346494478 936851016 /nfs/dbraw/zinc/85/10/16/936851016.db2.gz YQCNJZVJGJMVSA-UHFFFAOYSA-N 1 2 290.798 3.135 20 30 CGEDLO C#CCC[NH+]1CCN([C@@H](C)c2c(C)cc(C)cc2C)CC1 ZINC001307653557 927610944 /nfs/dbraw/zinc/61/09/44/927610944.db2.gz HNRPAQVXCUOPPU-SFHVURJKSA-N 1 2 284.447 3.314 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000163526609 928265624 /nfs/dbraw/zinc/26/56/24/928265624.db2.gz MGBPQORPWQPLNI-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCc3sccc3C2)c1 ZINC000163526609 928265638 /nfs/dbraw/zinc/26/56/38/928265638.db2.gz MGBPQORPWQPLNI-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1C#N ZINC001460719382 937541987 /nfs/dbraw/zinc/54/19/87/937541987.db2.gz WVRJHYWFYCLJBO-QGZVFWFLSA-N 1 2 292.386 3.384 20 30 CGEDLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncccn2)cc1C#N ZINC001460719382 937541988 /nfs/dbraw/zinc/54/19/88/937541988.db2.gz WVRJHYWFYCLJBO-QGZVFWFLSA-N 1 2 292.386 3.384 20 30 CGEDLO Cc1[nH]c([C@@H]2CCCN2CC#Cc2ccc(F)cc2)[nH+]c1C ZINC001460754675 937543668 /nfs/dbraw/zinc/54/36/68/937543668.db2.gz ACZXCQPSWZUYQY-KRWDZBQOSA-N 1 2 297.377 3.354 20 30 CGEDLO C#CC[N@@H+]([C@H](C)C(=O)OCCC)[C@H]1CCCc2ccccc21 ZINC001460837575 937548436 /nfs/dbraw/zinc/54/84/36/937548436.db2.gz PNUXDGWHCPWZEY-QAPCUYQASA-N 1 2 299.414 3.341 20 30 CGEDLO C#CC[N@H+]([C@H](C)C(=O)OCCC)[C@H]1CCCc2ccccc21 ZINC001460837575 937548439 /nfs/dbraw/zinc/54/84/39/937548439.db2.gz PNUXDGWHCPWZEY-QAPCUYQASA-N 1 2 299.414 3.341 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cs1 ZINC001461109515 937564134 /nfs/dbraw/zinc/56/41/34/937564134.db2.gz GQVYNGCSCQFTHY-UHFFFAOYSA-N 1 2 294.383 3.095 20 30 CGEDLO Cn1ccc2c1cc[nH+]c2-c1cc(F)cc(C#N)c1 ZINC001241656207 932698999 /nfs/dbraw/zinc/69/89/99/932698999.db2.gz YTXIUXIEHNOQGN-UHFFFAOYSA-N 1 2 251.264 3.251 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncn1CCC)c1ccc(Cl)cc1 ZINC001462305773 937630905 /nfs/dbraw/zinc/63/09/05/937630905.db2.gz RBKZSDKMAOIEKX-INIZCTEOSA-N 1 2 287.794 3.411 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306771862 932887140 /nfs/dbraw/zinc/88/71/40/932887140.db2.gz GETUEZHVCPBRLM-AWEZNQCLSA-N 1 2 283.375 3.406 20 30 CGEDLO Cc1cc(C#N)cc(Oc2cccc(-n3cc[nH+]c3)c2)n1 ZINC001306972032 932902612 /nfs/dbraw/zinc/90/26/12/932902612.db2.gz BGFZTYAHDQEHRH-UHFFFAOYSA-N 1 2 276.299 3.240 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001339280766 932944243 /nfs/dbraw/zinc/94/42/43/932944243.db2.gz MYTJYCIMOMKEAY-QGZVFWFLSA-N 1 2 295.386 3.443 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc([N+](=O)[O-])cc1 ZINC001308068934 933043531 /nfs/dbraw/zinc/04/35/31/933043531.db2.gz TYMPJCWPZXOAPB-NSHDSACASA-N 1 2 299.305 3.456 20 30 CGEDLO Cc1[nH]c([C@H]2CCCN2Cc2ccc(C#N)s2)[nH+]c1C ZINC001308071143 933044239 /nfs/dbraw/zinc/04/42/39/933044239.db2.gz PSGZSXQHJRYSAH-CQSZACIVSA-N 1 2 286.404 3.297 20 30 CGEDLO C=C(Br)C[NH2+]Cc1c(F)cccc1OCC ZINC001308254817 933082245 /nfs/dbraw/zinc/08/22/45/933082245.db2.gz XQKLMVKROOBFJY-UHFFFAOYSA-N 1 2 288.160 3.223 20 30 CGEDLO Cc1cc(CNc2cc3cc[nH]c3c[nH+]2)ccc1C#N ZINC001308451174 933112658 /nfs/dbraw/zinc/11/26/58/933112658.db2.gz UULVVUSWXNIDCW-UHFFFAOYSA-N 1 2 262.316 3.355 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1ccc[nH+]c1N(C)C ZINC001322818260 934337062 /nfs/dbraw/zinc/33/70/62/934337062.db2.gz CMXUBXTWPZMPKK-BQYQJAHWSA-N 1 2 281.359 3.001 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(=O)OCC ZINC001324625381 934533267 /nfs/dbraw/zinc/53/32/67/934533267.db2.gz NEWCPOPTTLQKMM-DZKIICNBSA-N 1 2 275.392 3.276 20 30 CGEDLO N#Cc1cc(F)c(C(F)(F)F)cc1NCCn1cc[nH+]c1 ZINC001472639261 937778961 /nfs/dbraw/zinc/77/89/61/937778961.db2.gz OFNBRHTWUYEPCE-UHFFFAOYSA-N 1 2 298.243 3.025 20 30 CGEDLO Cc1ccc2[nH+]c(CSc3cccnc3C#N)cn2c1 ZINC001473030954 937791030 /nfs/dbraw/zinc/79/10/30/937791030.db2.gz BNTRQQMJWNBGLN-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001326004036 934943696 /nfs/dbraw/zinc/94/36/96/934943696.db2.gz AADZLOBUSGSKOQ-UHFFFAOYSA-N 1 2 289.382 3.391 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001326004036 934943699 /nfs/dbraw/zinc/94/36/99/934943699.db2.gz AADZLOBUSGSKOQ-UHFFFAOYSA-N 1 2 289.382 3.391 20 30 CGEDLO C#CC[N@@H+](Cc1ccncc1Br)C1CCCC1 ZINC001328835535 935172589 /nfs/dbraw/zinc/17/25/89/935172589.db2.gz XHADDHXPLYEDEW-UHFFFAOYSA-N 1 2 293.208 3.222 20 30 CGEDLO C#CC[N@H+](Cc1ccncc1Br)C1CCCC1 ZINC001328835535 935172591 /nfs/dbraw/zinc/17/25/91/935172591.db2.gz XHADDHXPLYEDEW-UHFFFAOYSA-N 1 2 293.208 3.222 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCC(F)F ZINC001335540882 936151719 /nfs/dbraw/zinc/15/17/19/936151719.db2.gz UJUNSKLLUVYZEU-UHFFFAOYSA-N 1 2 268.307 3.331 20 30 CGEDLO COc1ccc(F)cc1C[NH2+]Cc1cccc(F)c1C#N ZINC001474465158 937861658 /nfs/dbraw/zinc/86/16/58/937861658.db2.gz ZTRYKSOCMVVZIV-UHFFFAOYSA-N 1 2 288.297 3.135 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001505918133 937987943 /nfs/dbraw/zinc/98/79/43/937987943.db2.gz GMNOFFSHAAXACB-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001505918133 937987944 /nfs/dbraw/zinc/98/79/44/937987944.db2.gz GMNOFFSHAAXACB-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001560210077 938247295 /nfs/dbraw/zinc/24/72/95/938247295.db2.gz IUHCYZLUCACQSK-QGZVFWFLSA-N 1 2 298.430 3.410 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001560210077 938247296 /nfs/dbraw/zinc/24/72/96/938247296.db2.gz IUHCYZLUCACQSK-QGZVFWFLSA-N 1 2 298.430 3.410 20 30 CGEDLO C=CC[N@H+](Cc1cn(C2CC2)cn1)Cc1ccccc1 ZINC001560653791 938268194 /nfs/dbraw/zinc/26/81/94/938268194.db2.gz YXZDQDNFWJFMQO-UHFFFAOYSA-N 1 2 267.376 3.406 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C2CC2)cn1)Cc1ccccc1 ZINC001560653791 938268195 /nfs/dbraw/zinc/26/81/95/938268195.db2.gz YXZDQDNFWJFMQO-UHFFFAOYSA-N 1 2 267.376 3.406 20 30 CGEDLO C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(CC)CCCCC ZINC001565836051 960838112 /nfs/dbraw/zinc/83/81/12/960838112.db2.gz ZXKLGWAIRSEXMF-FUHWJXTLSA-N 1 2 292.467 3.149 20 30 CGEDLO C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(CC)CCCCC ZINC001565836051 960838130 /nfs/dbraw/zinc/83/81/30/960838130.db2.gz ZXKLGWAIRSEXMF-FUHWJXTLSA-N 1 2 292.467 3.149 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000297818077 260135405 /nfs/dbraw/zinc/13/54/05/260135405.db2.gz JAYNGHZFOLPNOW-CYBMUJFWSA-N 1 2 276.355 3.135 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1cccs1)C(=O)OCC ZINC000590661567 346861730 /nfs/dbraw/zinc/86/17/30/346861730.db2.gz WSGIAUIIGZUAAW-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO CCCc1ccc2[nH+]ccc(NC[C@H](C)C#N)c2c1 ZINC000590691450 346863919 /nfs/dbraw/zinc/86/39/19/346863919.db2.gz APGQACOOHJRDSN-GFCCVEGCSA-N 1 2 253.349 3.181 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)ccn1 ZINC000590762498 346872822 /nfs/dbraw/zinc/87/28/22/346872822.db2.gz RYEVQZFFSGMKMY-MRXNPFEDSA-N 1 2 279.343 3.273 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)ccn1 ZINC000590762498 346872823 /nfs/dbraw/zinc/87/28/23/346872823.db2.gz RYEVQZFFSGMKMY-MRXNPFEDSA-N 1 2 279.343 3.273 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1c(C#N)cccc1[N+](=O)[O-] ZINC000418981045 529730446 /nfs/dbraw/zinc/73/04/46/529730446.db2.gz BBRJRENCTGLAID-UHFFFAOYSA-N 1 2 297.314 3.311 20 30 CGEDLO CCc1ccc(C[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592055894 346958017 /nfs/dbraw/zinc/95/80/17/346958017.db2.gz NLUDAQVALMCKNZ-UHFFFAOYSA-N 1 2 265.360 3.148 20 30 CGEDLO CCc1ccc(C[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592055894 346958018 /nfs/dbraw/zinc/95/80/18/346958018.db2.gz NLUDAQVALMCKNZ-UHFFFAOYSA-N 1 2 265.360 3.148 20 30 CGEDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C#N)o1 ZINC000592105505 346963202 /nfs/dbraw/zinc/96/32/02/346963202.db2.gz GYKUVFZESVTKCA-INIZCTEOSA-N 1 2 297.358 3.030 20 30 CGEDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)o1 ZINC000592105505 346963205 /nfs/dbraw/zinc/96/32/05/346963205.db2.gz GYKUVFZESVTKCA-INIZCTEOSA-N 1 2 297.358 3.030 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000592068790 346958863 /nfs/dbraw/zinc/95/88/63/346958863.db2.gz FRDHWNZFDUHVOH-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000592068790 346958865 /nfs/dbraw/zinc/95/88/65/346958865.db2.gz FRDHWNZFDUHVOH-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(C)(C)C ZINC000592145039 346966788 /nfs/dbraw/zinc/96/67/88/346966788.db2.gz MFSRRBDHGBNWBB-OAHLLOKOSA-N 1 2 288.391 3.140 20 30 CGEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(C)(C)C ZINC000592145039 346966791 /nfs/dbraw/zinc/96/67/91/346966791.db2.gz MFSRRBDHGBNWBB-OAHLLOKOSA-N 1 2 288.391 3.140 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1F ZINC000592105607 346963732 /nfs/dbraw/zinc/96/37/32/346963732.db2.gz SMYCXGKRNGGOKN-INIZCTEOSA-N 1 2 287.313 3.472 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1cccc(F)c1C#N ZINC000428228068 529874495 /nfs/dbraw/zinc/87/44/95/529874495.db2.gz LEPDREAULRKWTM-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1cccc(F)c1C#N ZINC000428228068 529874497 /nfs/dbraw/zinc/87/44/97/529874497.db2.gz LEPDREAULRKWTM-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000592507124 346994123 /nfs/dbraw/zinc/99/41/23/346994123.db2.gz HNFALDNZQKWGKI-QGZVFWFLSA-N 1 2 298.390 3.114 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000592507124 346994127 /nfs/dbraw/zinc/99/41/27/346994127.db2.gz HNFALDNZQKWGKI-QGZVFWFLSA-N 1 2 298.390 3.114 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](CCOCC1CCCC1)C2 ZINC000593126473 347043068 /nfs/dbraw/zinc/04/30/68/347043068.db2.gz VUXNHDWGWRONBY-UHFFFAOYSA-N 1 2 270.376 3.081 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](CCOCC1CCCC1)C2 ZINC000593126473 347043070 /nfs/dbraw/zinc/04/30/70/347043070.db2.gz VUXNHDWGWRONBY-UHFFFAOYSA-N 1 2 270.376 3.081 20 30 CGEDLO N#Cc1ccc(Sc2[nH+]cc3ccccn32)c([N+](=O)[O-])c1 ZINC000018057569 344889544 /nfs/dbraw/zinc/88/95/44/344889544.db2.gz UQOXBXINJLGGLU-UHFFFAOYSA-N 1 2 296.311 3.265 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000029536545 344918574 /nfs/dbraw/zinc/91/85/74/344918574.db2.gz YRNUKQLJMNJQIO-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000029536545 344918577 /nfs/dbraw/zinc/91/85/77/344918577.db2.gz YRNUKQLJMNJQIO-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCCC#N)CC1 ZINC000051538286 345091400 /nfs/dbraw/zinc/09/14/00/345091400.db2.gz GTASRXOASTZUTH-CQSZACIVSA-N 1 2 291.826 3.322 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)[C@@H]1CCc2ccccc21 ZINC000060569391 345219977 /nfs/dbraw/zinc/21/99/77/345219977.db2.gz LBEKHDIDDOWWBM-QGZVFWFLSA-N 1 2 280.371 3.414 20 30 CGEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)[C@@H]1CCc2ccccc21 ZINC000060569391 345219981 /nfs/dbraw/zinc/21/99/81/345219981.db2.gz LBEKHDIDDOWWBM-QGZVFWFLSA-N 1 2 280.371 3.414 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C#N)CCC#N ZINC000077410117 345571853 /nfs/dbraw/zinc/57/18/53/345571853.db2.gz YIBWNKWWEAVULW-MRXNPFEDSA-N 1 2 283.375 3.127 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C#N)CCC#N ZINC000077410117 345571854 /nfs/dbraw/zinc/57/18/54/345571854.db2.gz YIBWNKWWEAVULW-MRXNPFEDSA-N 1 2 283.375 3.127 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000093773090 345887248 /nfs/dbraw/zinc/88/72/48/345887248.db2.gz XFAARSBPMNKZFQ-CQSZACIVSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000093773090 345887252 /nfs/dbraw/zinc/88/72/52/345887252.db2.gz XFAARSBPMNKZFQ-CQSZACIVSA-N 1 2 291.391 3.023 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093872178 345892333 /nfs/dbraw/zinc/89/23/33/345892333.db2.gz OUHXXCBRROXRRV-JKSUJKDBSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000093872178 345892336 /nfs/dbraw/zinc/89/23/36/345892336.db2.gz OUHXXCBRROXRRV-JKSUJKDBSA-N 1 2 283.400 3.415 20 30 CGEDLO Cc1nc(C)c(C[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000159173054 346166736 /nfs/dbraw/zinc/16/67/36/346166736.db2.gz IFHADXBNQNAVPQ-UHFFFAOYSA-N 1 2 289.379 3.403 20 30 CGEDLO Cc1nc(C)c(C[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000159173054 346166741 /nfs/dbraw/zinc/16/67/41/346166741.db2.gz IFHADXBNQNAVPQ-UHFFFAOYSA-N 1 2 289.379 3.403 20 30 CGEDLO CCCCCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212738562 346286925 /nfs/dbraw/zinc/28/69/25/346286925.db2.gz RWMYMQHTYQSACH-UHFFFAOYSA-N 1 2 277.412 3.476 20 30 CGEDLO CCCCCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212738562 346286926 /nfs/dbraw/zinc/28/69/26/346286926.db2.gz RWMYMQHTYQSACH-UHFFFAOYSA-N 1 2 277.412 3.476 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000593621425 347096643 /nfs/dbraw/zinc/09/66/43/347096643.db2.gz KGZKQJLFDIMERQ-LLVKDONJSA-N 1 2 264.731 3.360 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352882567 346540106 /nfs/dbraw/zinc/54/01/06/346540106.db2.gz HYWRATAMUFRZBE-UHFFFAOYSA-N 1 2 287.388 3.465 20 30 CGEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC1(C#N)CC1 ZINC000584847315 346718812 /nfs/dbraw/zinc/71/88/12/346718812.db2.gz KDIGIVHHHQATMC-CYBMUJFWSA-N 1 2 289.810 3.154 20 30 CGEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC1(C#N)CC1 ZINC000584847315 346718816 /nfs/dbraw/zinc/71/88/16/346718816.db2.gz KDIGIVHHHQATMC-CYBMUJFWSA-N 1 2 289.810 3.154 20 30 CGEDLO COCc1cc[nH+]c(NC2CCC(C)(C#N)CC2)c1 ZINC000593697815 347104443 /nfs/dbraw/zinc/10/44/43/347104443.db2.gz NNUZUFHTZNWJID-UHFFFAOYSA-N 1 2 259.353 3.112 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000594615125 347203635 /nfs/dbraw/zinc/20/36/35/347203635.db2.gz RODYJIYJZUKJPE-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000594615125 347203640 /nfs/dbraw/zinc/20/36/40/347203640.db2.gz RODYJIYJZUKJPE-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO Cc1nn(C(C)C)cc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594615116 347203714 /nfs/dbraw/zinc/20/37/14/347203714.db2.gz RLDVTKCQUKWTOR-UHFFFAOYSA-N 1 2 280.375 3.160 20 30 CGEDLO Cc1nn(C(C)C)cc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594615116 347203718 /nfs/dbraw/zinc/20/37/18/347203718.db2.gz RLDVTKCQUKWTOR-UHFFFAOYSA-N 1 2 280.375 3.160 20 30 CGEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(C#N)cc1 ZINC000595000786 347252602 /nfs/dbraw/zinc/25/26/02/347252602.db2.gz NCYYRMWTLBPKOT-UHFFFAOYSA-N 1 2 252.308 3.329 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)oc1C)Cc1cccc(C#N)c1 ZINC000595297311 347288432 /nfs/dbraw/zinc/28/84/32/347288432.db2.gz QXHSZAPYIKOPNG-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)oc1C)Cc1cccc(C#N)c1 ZINC000595297311 347288436 /nfs/dbraw/zinc/28/84/36/347288436.db2.gz QXHSZAPYIKOPNG-UHFFFAOYSA-N 1 2 281.359 3.351 20 30 CGEDLO CS[C@H]1CCCC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595388031 347297611 /nfs/dbraw/zinc/29/76/11/347297611.db2.gz SNXMDXDTQBGFCR-LSDHHAIUSA-N 1 2 260.406 3.469 20 30 CGEDLO CS[C@H]1CCCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595388031 347297613 /nfs/dbraw/zinc/29/76/13/347297613.db2.gz SNXMDXDTQBGFCR-LSDHHAIUSA-N 1 2 260.406 3.469 20 30 CGEDLO Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610176 347326375 /nfs/dbraw/zinc/32/63/75/347326375.db2.gz SOYRJJQNBHRVSZ-AWEZNQCLSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610176 347326379 /nfs/dbraw/zinc/32/63/79/347326379.db2.gz SOYRJJQNBHRVSZ-AWEZNQCLSA-N 1 2 296.374 3.171 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000595620240 347328513 /nfs/dbraw/zinc/32/85/13/347328513.db2.gz KYAKNLLLHVTRAM-LLVKDONJSA-N 1 2 261.394 3.146 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000595620240 347328516 /nfs/dbraw/zinc/32/85/16/347328516.db2.gz KYAKNLLLHVTRAM-LLVKDONJSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623229 347329263 /nfs/dbraw/zinc/32/92/63/347329263.db2.gz KIBRYURIJZOFBA-KBPBESRZSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623229 347329266 /nfs/dbraw/zinc/32/92/66/347329266.db2.gz KIBRYURIJZOFBA-KBPBESRZSA-N 1 2 296.374 3.423 20 30 CGEDLO CC[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H](C)C#N ZINC000595818305 347359199 /nfs/dbraw/zinc/35/91/99/347359199.db2.gz UNJHANBEYMXJHC-AWEZNQCLSA-N 1 2 295.386 3.402 20 30 CGEDLO CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H](C)C#N ZINC000595818305 347359201 /nfs/dbraw/zinc/35/92/01/347359201.db2.gz UNJHANBEYMXJHC-AWEZNQCLSA-N 1 2 295.386 3.402 20 30 CGEDLO N#CCCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595714408 347345795 /nfs/dbraw/zinc/34/57/95/347345795.db2.gz UUZQGIUTPFTZOD-NSHDSACASA-N 1 2 298.312 3.326 20 30 CGEDLO N#CCCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595714408 347345796 /nfs/dbraw/zinc/34/57/96/347345796.db2.gz UUZQGIUTPFTZOD-NSHDSACASA-N 1 2 298.312 3.326 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000595759303 347351842 /nfs/dbraw/zinc/35/18/42/347351842.db2.gz LYQFZHKKLVJXOQ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000595759303 347351845 /nfs/dbraw/zinc/35/18/45/347351845.db2.gz LYQFZHKKLVJXOQ-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO CO[C@]1(C)CCC[N@@H+]([C@H](C#N)c2ccccc2)CC1 ZINC000595466580 347307632 /nfs/dbraw/zinc/30/76/32/347307632.db2.gz VPSPVSNMSOTXEQ-HZPDHXFCSA-N 1 2 258.365 3.142 20 30 CGEDLO CO[C@]1(C)CCC[N@H+]([C@H](C#N)c2ccccc2)CC1 ZINC000595466580 347307634 /nfs/dbraw/zinc/30/76/34/347307634.db2.gz VPSPVSNMSOTXEQ-HZPDHXFCSA-N 1 2 258.365 3.142 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000595832530 347362824 /nfs/dbraw/zinc/36/28/24/347362824.db2.gz BRYNFAWSDPLGFV-ZDUSSCGKSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000595832530 347362825 /nfs/dbraw/zinc/36/28/25/347362825.db2.gz BRYNFAWSDPLGFV-ZDUSSCGKSA-N 1 2 268.282 3.441 20 30 CGEDLO CCCOc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841288 347365135 /nfs/dbraw/zinc/36/51/35/347365135.db2.gz JXTDWBGXUYDZOX-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841288 347365138 /nfs/dbraw/zinc/36/51/38/347365138.db2.gz JXTDWBGXUYDZOX-INIZCTEOSA-N 1 2 258.365 3.211 20 30 CGEDLO N#CC[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596326607 347418429 /nfs/dbraw/zinc/41/84/29/347418429.db2.gz WYUUJFRCIGCJLC-LBPRGKRZSA-N 1 2 296.330 3.273 20 30 CGEDLO Cn1cc[nH+]c1[C@@H]1N(Cc2cccc(F)c2C#N)CC1(C)C ZINC000596584859 347482947 /nfs/dbraw/zinc/48/29/47/347482947.db2.gz ABXLUZCDVOCIFI-HNNXBMFYSA-N 1 2 298.365 3.014 20 30 CGEDLO CCCn1nccc1C[N@H+](CCC#N)CC(CC)CC ZINC000596996252 347525632 /nfs/dbraw/zinc/52/56/32/347525632.db2.gz PFEMDKQFEJUGFL-UHFFFAOYSA-N 1 2 276.428 3.445 20 30 CGEDLO CCCn1nccc1C[N@@H+](CCC#N)CC(CC)CC ZINC000596996252 347525637 /nfs/dbraw/zinc/52/56/37/347525637.db2.gz PFEMDKQFEJUGFL-UHFFFAOYSA-N 1 2 276.428 3.445 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000597082040 347534122 /nfs/dbraw/zinc/53/41/22/347534122.db2.gz FOOMOSDEFLCTNO-UHFFFAOYSA-N 1 2 262.328 3.006 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(OC3CC3)c2F)CCC1 ZINC000597156368 347541686 /nfs/dbraw/zinc/54/16/86/347541686.db2.gz ZFYSLLZOCKEQDU-UHFFFAOYSA-N 1 2 274.339 3.150 20 30 CGEDLO C[C@@H](CC#N)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000596702630 347502285 /nfs/dbraw/zinc/50/22/85/347502285.db2.gz YVVHUFSZUMPVIL-LBPRGKRZSA-N 1 2 296.374 3.251 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597229580 347559231 /nfs/dbraw/zinc/55/92/31/347559231.db2.gz CSULLHFQDHSBDE-MRXNPFEDSA-N 1 2 274.339 3.102 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597229580 347559235 /nfs/dbraw/zinc/55/92/35/347559235.db2.gz CSULLHFQDHSBDE-MRXNPFEDSA-N 1 2 274.339 3.102 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000597193635 347547747 /nfs/dbraw/zinc/54/77/47/347547747.db2.gz JNQUEYXVOVQLNA-UHFFFAOYSA-N 1 2 275.402 3.217 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000597194674 347548383 /nfs/dbraw/zinc/54/83/83/347548383.db2.gz WXICWPSEMVYJEZ-UHFFFAOYSA-N 1 2 269.373 3.156 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598597462 347669428 /nfs/dbraw/zinc/66/94/28/347669428.db2.gz XSRILBJVWRMAAS-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598597462 347669430 /nfs/dbraw/zinc/66/94/30/347669430.db2.gz XSRILBJVWRMAAS-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)cn1)C2 ZINC000599677598 347763889 /nfs/dbraw/zinc/76/38/89/347763889.db2.gz NGDZVQZTPSFSOM-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)cn1)C2 ZINC000599677598 347763892 /nfs/dbraw/zinc/76/38/92/347763892.db2.gz NGDZVQZTPSFSOM-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO Cc1cc(N2CC(Cc3cccs3)C2)c(C#N)c[nH+]1 ZINC000599195825 347725709 /nfs/dbraw/zinc/72/57/09/347725709.db2.gz IRDYLJALIXYCSD-UHFFFAOYSA-N 1 2 269.373 3.002 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1C#N ZINC000599313783 347734588 /nfs/dbraw/zinc/73/45/88/347734588.db2.gz BOHTWOXQMRMORT-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1C#N ZINC000599313783 347734590 /nfs/dbraw/zinc/73/45/90/347734590.db2.gz BOHTWOXQMRMORT-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO N#Cc1cccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)c1 ZINC000600774832 347832957 /nfs/dbraw/zinc/83/29/57/347832957.db2.gz GFFRXNXJLUXIFA-MRXNPFEDSA-N 1 2 279.343 3.211 20 30 CGEDLO N#Cc1ccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)s1 ZINC000600778416 347834120 /nfs/dbraw/zinc/83/41/20/347834120.db2.gz YSUUWAJPODUUMJ-LBPRGKRZSA-N 1 2 285.372 3.273 20 30 CGEDLO CC(C)c1nc2[nH]ccc2c(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000601140014 347874558 /nfs/dbraw/zinc/87/45/58/347874558.db2.gz PCASZYNUMDZTPE-UHFFFAOYSA-N 1 2 283.379 3.211 20 30 CGEDLO CCCCc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc[nH+]1 ZINC000601171322 347877245 /nfs/dbraw/zinc/87/72/45/347877245.db2.gz LZFUHOHOKCOCDG-JSGCOSHPSA-N 1 2 258.369 3.313 20 30 CGEDLO C[C@@H]1C[N@H+](CCSc2ccc(Cl)cc2C#N)CCO1 ZINC000601913147 347922761 /nfs/dbraw/zinc/92/27/61/347922761.db2.gz PTSGYJFEJRFQOE-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2C#N)CCO1 ZINC000601913147 347922763 /nfs/dbraw/zinc/92/27/63/347922763.db2.gz PTSGYJFEJRFQOE-LLVKDONJSA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602440086 347958471 /nfs/dbraw/zinc/95/84/71/347958471.db2.gz JDUJWFIICJZXTO-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602440086 347958473 /nfs/dbraw/zinc/95/84/73/347958473.db2.gz JDUJWFIICJZXTO-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO Cn1c(C[N@@H+]2CCC[C@](C)(C#N)C2)cc2ccccc21 ZINC000602611634 347993962 /nfs/dbraw/zinc/99/39/62/347993962.db2.gz YHWUADFIWHTBNI-QGZVFWFLSA-N 1 2 267.376 3.304 20 30 CGEDLO Cn1c(C[N@H+]2CCC[C@](C)(C#N)C2)cc2ccccc21 ZINC000602611634 347993963 /nfs/dbraw/zinc/99/39/63/347993963.db2.gz YHWUADFIWHTBNI-QGZVFWFLSA-N 1 2 267.376 3.304 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc2ncccc12 ZINC000602670120 348004877 /nfs/dbraw/zinc/00/48/77/348004877.db2.gz AORMHZYQEXRMCW-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc2ncccc12 ZINC000602670120 348004878 /nfs/dbraw/zinc/00/48/78/348004878.db2.gz AORMHZYQEXRMCW-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO Cc1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000602693034 348010419 /nfs/dbraw/zinc/01/04/19/348010419.db2.gz AFOCVPNIGPTLDT-HNNXBMFYSA-N 1 2 267.332 3.022 20 30 CGEDLO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000602786822 348029848 /nfs/dbraw/zinc/02/98/48/348029848.db2.gz YBOYSBOIFZZWES-XJKSGUPXSA-N 1 2 288.366 3.281 20 30 CGEDLO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000602786822 348029851 /nfs/dbraw/zinc/02/98/51/348029851.db2.gz YBOYSBOIFZZWES-XJKSGUPXSA-N 1 2 288.366 3.281 20 30 CGEDLO N#Cc1cc2c(nc1SCc1ccc[nH+]c1N)CCCC2 ZINC000603309954 348069839 /nfs/dbraw/zinc/06/98/39/348069839.db2.gz GTDCMSWTEYDLQQ-UHFFFAOYSA-N 1 2 296.399 3.102 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C#N ZINC000602977377 348049485 /nfs/dbraw/zinc/04/94/85/348049485.db2.gz AJJALBNQNLVQHX-ZWNOBZJWSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C#N ZINC000602977377 348049486 /nfs/dbraw/zinc/04/94/86/348049486.db2.gz AJJALBNQNLVQHX-ZWNOBZJWSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980367 348050086 /nfs/dbraw/zinc/05/00/86/348050086.db2.gz PIPFNSFHWAZHJK-RISCZKNCSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980367 348050089 /nfs/dbraw/zinc/05/00/89/348050089.db2.gz PIPFNSFHWAZHJK-RISCZKNCSA-N 1 2 250.292 3.089 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(C)[nH+]1 ZINC000603018062 348054777 /nfs/dbraw/zinc/05/47/77/348054777.db2.gz WTGSKZOHJDLJKX-ZIAGYGMSSA-N 1 2 286.379 3.163 20 30 CGEDLO CC#CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000607727463 348258159 /nfs/dbraw/zinc/25/81/59/348258159.db2.gz HAPIUCBYUGOFAM-IUCAKERBSA-N 1 2 273.220 3.072 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c1 ZINC000610583454 348391950 /nfs/dbraw/zinc/39/19/50/348391950.db2.gz MSWYFXJAVQTLIB-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO C[C@H](Nc1cc[nH+]c2ccncc12)c1cccc(C#N)c1 ZINC000610661444 348394647 /nfs/dbraw/zinc/39/46/47/348394647.db2.gz LBIDFDZFEQMBSR-LBPRGKRZSA-N 1 2 274.327 3.096 20 30 CGEDLO C=C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611347301 348440338 /nfs/dbraw/zinc/44/03/38/348440338.db2.gz WXOULRBXJXZMIC-UHFFFAOYSA-N 1 2 292.386 3.204 20 30 CGEDLO CCCCc1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000611386423 348443459 /nfs/dbraw/zinc/44/34/59/348443459.db2.gz WVKFPUBVHDGWCP-GFCCVEGCSA-N 1 2 284.363 3.135 20 30 CGEDLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611727544 348471683 /nfs/dbraw/zinc/47/16/83/348471683.db2.gz YPYCWIJDBYIIMA-CZUORRHYSA-N 1 2 288.391 3.187 20 30 CGEDLO C[C@@]1(C#N)CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000612108752 348494544 /nfs/dbraw/zinc/49/45/44/348494544.db2.gz SIDIMYDBWISSSA-INIZCTEOSA-N 1 2 251.333 3.365 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000612161473 348498001 /nfs/dbraw/zinc/49/80/01/348498001.db2.gz DULSIRZJNCKKME-HNNXBMFYSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000612161473 348498004 /nfs/dbraw/zinc/49/80/04/348498004.db2.gz DULSIRZJNCKKME-HNNXBMFYSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000612163598 348498273 /nfs/dbraw/zinc/49/82/73/348498273.db2.gz SHWCNVFVHOXJBO-MRXNPFEDSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000612163598 348498275 /nfs/dbraw/zinc/49/82/75/348498275.db2.gz SHWCNVFVHOXJBO-MRXNPFEDSA-N 1 2 272.779 3.317 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000612406490 348517453 /nfs/dbraw/zinc/51/74/53/348517453.db2.gz NNHUPEBUFOZPMK-QGZVFWFLSA-N 1 2 298.365 3.137 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000612406490 348517454 /nfs/dbraw/zinc/51/74/54/348517454.db2.gz NNHUPEBUFOZPMK-QGZVFWFLSA-N 1 2 298.365 3.137 20 30 CGEDLO C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000615652175 348755363 /nfs/dbraw/zinc/75/53/63/348755363.db2.gz RVRZFHGQNVYAQT-GOEBONIOSA-N 1 2 260.356 3.193 20 30 CGEDLO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000615652175 348755365 /nfs/dbraw/zinc/75/53/65/348755365.db2.gz RVRZFHGQNVYAQT-GOEBONIOSA-N 1 2 260.356 3.193 20 30 CGEDLO Cc1ccn2c(/C=C\c3ncccc3C#N)c[nH+]c2c1 ZINC000352009279 219288026 /nfs/dbraw/zinc/28/80/26/219288026.db2.gz VVIRPGSRCXIKHP-PLNGDYQASA-N 1 2 260.300 3.080 20 30 CGEDLO Cc1ccc2[nH+]c(/C=C/c3ncccc3C#N)cn2c1 ZINC000352021825 219292181 /nfs/dbraw/zinc/29/21/81/219292181.db2.gz RJYRXHSMIMGYFL-AATRIKPKSA-N 1 2 260.300 3.080 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014046 349194144 /nfs/dbraw/zinc/19/41/44/349194144.db2.gz CQDBYWOWWQVAPI-OAHLLOKOSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC000619703492 349277132 /nfs/dbraw/zinc/27/71/32/349277132.db2.gz MARSHIAKUUDBNL-OAGGEKHMSA-N 1 2 273.376 3.030 20 30 CGEDLO C=C[C@@H]([NH2+]C1CCC(c2ccc(F)cc2)CC1)C(=O)OC ZINC000619703739 349277144 /nfs/dbraw/zinc/27/71/44/349277144.db2.gz QUQCDOLJIQUOBU-AVVWSFFYSA-N 1 2 291.366 3.169 20 30 CGEDLO C=C1CC(C)(C(=O)N(C)CCCc2[nH+]ccn2CCC)C1 ZINC000632760959 351213757 /nfs/dbraw/zinc/21/37/57/351213757.db2.gz JHMVCHDFZBQNJC-UHFFFAOYSA-N 1 2 289.423 3.040 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523560 351316941 /nfs/dbraw/zinc/31/69/41/351316941.db2.gz NNMVAIPZBUSQMR-KRWDZBQOSA-N 1 2 283.375 3.295 20 30 CGEDLO C=CC(C)(C)CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633306665 351276562 /nfs/dbraw/zinc/27/65/62/351276562.db2.gz OOGFQEIVYWQDRG-UHFFFAOYSA-N 1 2 269.348 3.019 20 30 CGEDLO FC(F)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000634757176 351584659 /nfs/dbraw/zinc/58/46/59/351584659.db2.gz MXBIMILBCLWITF-AWEZNQCLSA-N 1 2 299.748 3.048 20 30 CGEDLO FC(F)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000634757176 351584663 /nfs/dbraw/zinc/58/46/63/351584663.db2.gz MXBIMILBCLWITF-AWEZNQCLSA-N 1 2 299.748 3.048 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000336414927 213272718 /nfs/dbraw/zinc/27/27/18/213272718.db2.gz WMFBTNSXIHXUOB-OAHLLOKOSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000336414927 213272719 /nfs/dbraw/zinc/27/27/19/213272719.db2.gz WMFBTNSXIHXUOB-OAHLLOKOSA-N 1 2 286.404 3.080 20 30 CGEDLO C#CCOc1ccccc1C[NH2+]Cc1ncc(CC)s1 ZINC000174624930 188910549 /nfs/dbraw/zinc/91/05/49/188910549.db2.gz CFEPPUPEXYKRKX-UHFFFAOYSA-N 1 2 286.400 3.007 20 30 CGEDLO N#Cc1cccc(C#N)c1Sc1[nH+]cc2ccccn21 ZINC000302465404 283204103 /nfs/dbraw/zinc/20/41/03/283204103.db2.gz SJPSHNBEBFXPSU-UHFFFAOYSA-N 1 2 276.324 3.229 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000126297410 138385678 /nfs/dbraw/zinc/38/56/78/138385678.db2.gz ZCDOILLQNGNVLI-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000126297410 138385679 /nfs/dbraw/zinc/38/56/79/138385679.db2.gz ZCDOILLQNGNVLI-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341800333 216111395 /nfs/dbraw/zinc/11/13/95/216111395.db2.gz RJFXCLIGNGCZAE-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341800333 216111397 /nfs/dbraw/zinc/11/13/97/216111397.db2.gz RJFXCLIGNGCZAE-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO N#Cc1cc(F)ccc1NCCCCNc1cccc[nH+]1 ZINC000301407537 201000086 /nfs/dbraw/zinc/00/00/86/201000086.db2.gz MTDVLKNBDLLQGI-UHFFFAOYSA-N 1 2 284.338 3.397 20 30 CGEDLO N#Cc1cccc(Cl)c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301645835 201114924 /nfs/dbraw/zinc/11/49/24/201114924.db2.gz PHALDCMQDZROPK-AWEZNQCLSA-N 1 2 299.761 3.264 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(F)cc1C#N ZINC000301799391 201203223 /nfs/dbraw/zinc/20/32/23/201203223.db2.gz ZSTPLOLCHRCNMS-UHFFFAOYSA-N 1 2 272.327 3.162 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000120140427 370743121 /nfs/dbraw/zinc/74/31/21/370743121.db2.gz GHXMBOJSPUVBAI-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000120140427 370743125 /nfs/dbraw/zinc/74/31/25/370743125.db2.gz GHXMBOJSPUVBAI-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cc1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cs1 ZINC000459621531 242148230 /nfs/dbraw/zinc/14/82/30/242148230.db2.gz WYMJDZWSSJNRGT-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO COc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1C#N ZINC000459637084 242158608 /nfs/dbraw/zinc/15/86/08/242158608.db2.gz KVLPCCZZBWLZFY-UHFFFAOYSA-N 1 2 298.308 3.341 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)o1 ZINC000035126424 368998745 /nfs/dbraw/zinc/99/87/45/368998745.db2.gz VXUZCQRNDPDTJF-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)o1 ZINC000035126424 368998755 /nfs/dbraw/zinc/99/87/55/368998755.db2.gz VXUZCQRNDPDTJF-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCOC3(CCCC3)C2)c1O ZINC000128488185 370964696 /nfs/dbraw/zinc/96/46/96/370964696.db2.gz ZZRHURVWNAKTRB-CRRKTRLDSA-N 1 2 289.375 3.312 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000066215723 369689708 /nfs/dbraw/zinc/68/97/08/369689708.db2.gz RTRPFYRUPGMTND-UHFFFAOYSA-N 1 2 278.783 3.261 20 30 CGEDLO Cc1c(Br)cccc1C[N@H+](C)CCC#N ZINC000090551979 370062102 /nfs/dbraw/zinc/06/21/02/370062102.db2.gz YGKSYGRUQYWAST-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1c(Br)cccc1C[N@@H+](C)CCC#N ZINC000090551979 370062105 /nfs/dbraw/zinc/06/21/05/370062105.db2.gz YGKSYGRUQYWAST-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(F)cc1Cl ZINC000091678010 370075055 /nfs/dbraw/zinc/07/50/55/370075055.db2.gz XLPCCURXTBGOLP-JTQLQIEISA-N 1 2 270.735 3.092 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000091678010 370075059 /nfs/dbraw/zinc/07/50/59/370075059.db2.gz XLPCCURXTBGOLP-JTQLQIEISA-N 1 2 270.735 3.092 20 30 CGEDLO CC[N@@H+](Cc1c(F)cccc1N1CCCC1)C[C@H](C)C#N ZINC000091984158 370086692 /nfs/dbraw/zinc/08/66/92/370086692.db2.gz APECFFPWOFGVJF-CQSZACIVSA-N 1 2 289.398 3.407 20 30 CGEDLO CC[N@H+](Cc1c(F)cccc1N1CCCC1)C[C@H](C)C#N ZINC000091984158 370086697 /nfs/dbraw/zinc/08/66/97/370086697.db2.gz APECFFPWOFGVJF-CQSZACIVSA-N 1 2 289.398 3.407 20 30 CGEDLO CC[N@H+](CC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000092399145 370096651 /nfs/dbraw/zinc/09/66/51/370096651.db2.gz JGSFZAMWEHNSPQ-LLVKDONJSA-N 1 2 281.197 3.398 20 30 CGEDLO CC[N@@H+](CC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000092399145 370096654 /nfs/dbraw/zinc/09/66/54/370096654.db2.gz JGSFZAMWEHNSPQ-LLVKDONJSA-N 1 2 281.197 3.398 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc(-c2ccccn2)s1)CC1CC1 ZINC000093091616 370108510 /nfs/dbraw/zinc/10/85/10/370108510.db2.gz CWKZWFZMXFFPOV-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO N#CCC[N@H+](Cc1cnc(-c2ccccn2)s1)CC1CC1 ZINC000093091616 370108517 /nfs/dbraw/zinc/10/85/17/370108517.db2.gz CWKZWFZMXFFPOV-UHFFFAOYSA-N 1 2 298.415 3.331 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1ccc(F)cc1C#N ZINC000103141441 370319822 /nfs/dbraw/zinc/31/98/22/370319822.db2.gz VLRDUKIYFIVJCG-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(F)cc1C#N ZINC000103141441 370319827 /nfs/dbraw/zinc/31/98/27/370319827.db2.gz VLRDUKIYFIVJCG-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)ccn1 ZINC000106933826 370354236 /nfs/dbraw/zinc/35/42/36/370354236.db2.gz XYMPCZOSQVYDDV-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)ccn1 ZINC000106933826 370354243 /nfs/dbraw/zinc/35/42/43/370354243.db2.gz XYMPCZOSQVYDDV-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO C=CCN(Cc1cccc(C#N)c1)Cc1cc(OC)cc[nH+]1 ZINC000106933826 370354250 /nfs/dbraw/zinc/35/42/50/370354250.db2.gz XYMPCZOSQVYDDV-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000104679836 370347333 /nfs/dbraw/zinc/34/73/33/370347333.db2.gz XSVCULDUVLJGLK-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C=CCSCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112077748 370409254 /nfs/dbraw/zinc/40/92/54/370409254.db2.gz RAYLNODTLAOGLW-UHFFFAOYSA-N 1 2 286.404 3.178 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000129594738 370994427 /nfs/dbraw/zinc/99/44/27/370994427.db2.gz WEOZQFKFASTKAS-LLVKDONJSA-N 1 2 257.312 3.108 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000129594738 370994431 /nfs/dbraw/zinc/99/44/31/370994431.db2.gz WEOZQFKFASTKAS-LLVKDONJSA-N 1 2 257.312 3.108 20 30 CGEDLO Cc1cc(N[C@@H]2CCc3sc(Cl)cc32)c(C#N)c[nH+]1 ZINC000425268195 372118588 /nfs/dbraw/zinc/11/85/88/372118588.db2.gz NQGYATAWDRISEG-LLVKDONJSA-N 1 2 289.791 3.498 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000426419384 372158178 /nfs/dbraw/zinc/15/81/78/372158178.db2.gz LGRVPKTVGLSVJM-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC(C)(C)O1 ZINC000426419384 372158183 /nfs/dbraw/zinc/15/81/83/372158183.db2.gz LGRVPKTVGLSVJM-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)[C@H]1[C@@H]1CCCO1 ZINC000428997218 372301453 /nfs/dbraw/zinc/30/14/53/372301453.db2.gz SUEMQNFFZPXAAC-HOTGVXAUSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)[C@H]1[C@@H]1CCCO1 ZINC000428997218 372301461 /nfs/dbraw/zinc/30/14/61/372301461.db2.gz SUEMQNFFZPXAAC-HOTGVXAUSA-N 1 2 288.366 3.087 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2cccs2)n1 ZINC000293309617 372351997 /nfs/dbraw/zinc/35/19/97/372351997.db2.gz WYCFVUJJEMBFOE-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2cccs2)n1 ZINC000293309617 372352004 /nfs/dbraw/zinc/35/20/04/372352004.db2.gz WYCFVUJJEMBFOE-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C)cc1-c1ccnn1C ZINC000430104898 372384280 /nfs/dbraw/zinc/38/42/80/372384280.db2.gz JTNKGIFHCLFMEP-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(C)cc1-c1ccnn1C ZINC000430104898 372384285 /nfs/dbraw/zinc/38/42/85/372384285.db2.gz JTNKGIFHCLFMEP-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO C[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1Cl ZINC000162876694 372430906 /nfs/dbraw/zinc/43/09/06/372430906.db2.gz LOBHYYWOUKSXOJ-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO C[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1Cl ZINC000162876694 372430913 /nfs/dbraw/zinc/43/09/13/372430913.db2.gz LOBHYYWOUKSXOJ-UHFFFAOYSA-N 1 2 260.724 3.437 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000294910198 372678460 /nfs/dbraw/zinc/67/84/60/372678460.db2.gz FPLPDQPJVDPZMY-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCCC#N)o1 ZINC000171033511 372702899 /nfs/dbraw/zinc/70/28/99/372702899.db2.gz DXZDYZYGQJMBJF-MRXNPFEDSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCCC#N)o1 ZINC000171033511 372702903 /nfs/dbraw/zinc/70/29/03/372702903.db2.gz DXZDYZYGQJMBJF-MRXNPFEDSA-N 1 2 296.374 3.171 20 30 CGEDLO C#CC[N@H+](Cc1cscn1)[C@H]1CCc2ccccc21 ZINC000175120141 373412408 /nfs/dbraw/zinc/41/24/08/373412408.db2.gz HRDZCJXLZHNIID-INIZCTEOSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1cscn1)[C@H]1CCc2ccccc21 ZINC000175120141 373412415 /nfs/dbraw/zinc/41/24/15/373412415.db2.gz HRDZCJXLZHNIID-INIZCTEOSA-N 1 2 268.385 3.266 20 30 CGEDLO N#C[C@@H]1[N@H+](CC2CCCCC2)CCC[C@]12CCCCO2 ZINC000447912807 373522077 /nfs/dbraw/zinc/52/20/77/373522077.db2.gz KVWLMNOWPVKCHK-DLBZAZTESA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@@H]1[N@@H+](CC2CCCCC2)CCC[C@]12CCCCO2 ZINC000447912807 373522081 /nfs/dbraw/zinc/52/20/81/373522081.db2.gz KVWLMNOWPVKCHK-DLBZAZTESA-N 1 2 276.424 3.494 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000176251968 373570378 /nfs/dbraw/zinc/57/03/78/373570378.db2.gz GQKABHDSYZTHLH-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000176251968 373570386 /nfs/dbraw/zinc/57/03/86/373570386.db2.gz GQKABHDSYZTHLH-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)nc1C#N ZINC000302780462 373960435 /nfs/dbraw/zinc/96/04/35/373960435.db2.gz RHPTZMPUCWDPJF-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000180445651 374008634 /nfs/dbraw/zinc/00/86/34/374008634.db2.gz PFBOTRHYSUSTPQ-NSHDSACASA-N 1 2 299.305 3.456 20 30 CGEDLO Cc1ccn2c(CNc3cccc(C#N)c3C)c[nH+]c2c1 ZINC000181449438 374124075 /nfs/dbraw/zinc/12/40/75/374124075.db2.gz CTXUZWFWVANUNB-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000181693736 374155894 /nfs/dbraw/zinc/15/58/94/374155894.db2.gz RHTMCYCSVUSYSQ-QGZVFWFLSA-N 1 2 284.334 3.175 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181921974 374189482 /nfs/dbraw/zinc/18/94/82/374189482.db2.gz GBNKWNSYYQEDPE-MRXNPFEDSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181921974 374189485 /nfs/dbraw/zinc/18/94/85/374189485.db2.gz GBNKWNSYYQEDPE-MRXNPFEDSA-N 1 2 298.411 3.063 20 30 CGEDLO CC[C@H](Nc1nc(C)c(C#N)cc1Cl)c1[nH]cc[nH+]1 ZINC000311703106 374253804 /nfs/dbraw/zinc/25/38/04/374253804.db2.gz MJIBKGBVYXOSEB-NSHDSACASA-N 1 2 275.743 3.201 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC[C@@H]2CCCCO2)c1O ZINC000182203016 374235240 /nfs/dbraw/zinc/23/52/40/374235240.db2.gz YFVUMHYINYXFGG-IQGJIOQQSA-N 1 2 277.364 3.169 20 30 CGEDLO CC(C)(CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000328910753 374392770 /nfs/dbraw/zinc/39/27/70/374392770.db2.gz FWDFRMUFNNVJKN-LLVKDONJSA-N 1 2 261.369 3.050 20 30 CGEDLO CC(C)(CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000328910753 374392772 /nfs/dbraw/zinc/39/27/72/374392772.db2.gz FWDFRMUFNNVJKN-LLVKDONJSA-N 1 2 261.369 3.050 20 30 CGEDLO CC(C)[C@H](NC(=O)c1ccc2c(c1)N(C)CC2)c1[nH]cc[nH+]1 ZINC000328772429 374380387 /nfs/dbraw/zinc/38/03/87/374380387.db2.gz RLVCUMPQGIEMSD-HNNXBMFYSA-N 1 2 298.390 3.104 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000328865528 374389302 /nfs/dbraw/zinc/38/93/02/374389302.db2.gz WLIKZLRJMDJDGH-OBJOEFQTSA-N 1 2 288.395 3.460 20 30 CGEDLO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@@]23CCOC3)[nH+]1 ZINC000329754850 374426661 /nfs/dbraw/zinc/42/66/61/374426661.db2.gz XOSWZZVUSWOCCR-SUMWQHHRSA-N 1 2 297.358 3.400 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000183825189 374460987 /nfs/dbraw/zinc/46/09/87/374460987.db2.gz MIUBXEOGVZGKHT-VIFPVBQESA-N 1 2 263.391 3.121 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccnc(N(C)C)c2)c(C)[nH+]1 ZINC000330661918 374489049 /nfs/dbraw/zinc/48/90/49/374489049.db2.gz VTMANXKHJHPHCB-UHFFFAOYSA-N 1 2 284.363 3.104 20 30 CGEDLO C=CCCC[C@@H](C)[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000481567467 375165437 /nfs/dbraw/zinc/16/54/37/375165437.db2.gz JSWBPEIYQNRBGM-NVXWUHKLSA-N 1 2 289.419 3.414 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C)CC(C)(C)C#N)c(C)[nH+]1 ZINC000335588378 375334073 /nfs/dbraw/zinc/33/40/73/375334073.db2.gz CIXUIZXJSBPASC-UHFFFAOYSA-N 1 2 274.368 3.020 20 30 CGEDLO N#CC1(C[N@H+]2CCCN(c3ccccc3Cl)CC2)CC1 ZINC000336276881 375769078 /nfs/dbraw/zinc/76/90/78/375769078.db2.gz OQNXUXPAUSTRCF-UHFFFAOYSA-N 1 2 289.810 3.156 20 30 CGEDLO N#CC1(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)CC1 ZINC000336276881 375769090 /nfs/dbraw/zinc/76/90/90/375769090.db2.gz OQNXUXPAUSTRCF-UHFFFAOYSA-N 1 2 289.810 3.156 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336417354 375792177 /nfs/dbraw/zinc/79/21/77/375792177.db2.gz QCJZKTANXXHWTH-HNNXBMFYSA-N 1 2 281.359 3.053 20 30 CGEDLO COc1ccc(C)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000545219240 376800602 /nfs/dbraw/zinc/80/06/02/376800602.db2.gz ZDSGXMKNKVYVDZ-UHFFFAOYSA-N 1 2 267.332 3.077 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245798070 376909927 /nfs/dbraw/zinc/90/99/27/376909927.db2.gz XJDBOBCMKAFYAZ-KBXCAEBGSA-N 1 2 296.370 3.422 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000245798070 376909939 /nfs/dbraw/zinc/90/99/39/376909939.db2.gz XJDBOBCMKAFYAZ-KBXCAEBGSA-N 1 2 296.370 3.422 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000340759106 377245922 /nfs/dbraw/zinc/24/59/22/377245922.db2.gz IPJZDCRNQFRJFB-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000340759106 377245929 /nfs/dbraw/zinc/24/59/29/377245929.db2.gz IPJZDCRNQFRJFB-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO COc1cc2ccccc2cc1C[NH2+]CC1(C#N)CC1 ZINC000562667229 377345566 /nfs/dbraw/zinc/34/55/66/377345566.db2.gz QQIBVJXJSLXTRO-UHFFFAOYSA-N 1 2 266.344 3.242 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000565172592 377483790 /nfs/dbraw/zinc/48/37/90/377483790.db2.gz LJMCGQRPVXDASF-GXSJLCMTSA-N 1 2 297.761 3.088 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567624536 377508734 /nfs/dbraw/zinc/50/87/34/377508734.db2.gz RPPXLYQWMYZJLQ-LLVKDONJSA-N 1 2 267.716 3.030 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C#N)ccc1Br ZINC000572659951 377550955 /nfs/dbraw/zinc/55/09/55/377550955.db2.gz VDBXVRFVMYSIQN-LBPRGKRZSA-N 1 2 292.180 3.103 20 30 CGEDLO C=CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000342729482 377760230 /nfs/dbraw/zinc/76/02/30/377760230.db2.gz FKORNMJZJBVWHA-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C=CCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000342729482 377760235 /nfs/dbraw/zinc/76/02/35/377760235.db2.gz FKORNMJZJBVWHA-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000342729484 377760504 /nfs/dbraw/zinc/76/05/04/377760504.db2.gz FKORNMJZJBVWHA-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000342729484 377760507 /nfs/dbraw/zinc/76/05/07/377760507.db2.gz FKORNMJZJBVWHA-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000258969779 377803091 /nfs/dbraw/zinc/80/30/91/377803091.db2.gz SSHFLAVLXXNVMB-UHFFFAOYSA-N 1 2 255.148 3.387 20 30 CGEDLO Cc1nc(Nc2ccc3c(c2)CCC[NH2+]3)ccc1C#N ZINC000261726140 377845616 /nfs/dbraw/zinc/84/56/16/377845616.db2.gz KVAXBSHYWUGMAG-UHFFFAOYSA-N 1 2 264.332 3.363 20 30 CGEDLO Cc1cccc(CCCNc2nccc(C#N)c2Cl)[nH+]1 ZINC000343224782 377933213 /nfs/dbraw/zinc/93/32/13/377933213.db2.gz MKELFOXYKVAOCW-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO Cc1ccnc(NCc2cn3cc(Cl)ccc3[nH+]2)c1C#N ZINC000343446879 377981936 /nfs/dbraw/zinc/98/19/36/377981936.db2.gz YIRQSMCZJCUBLB-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000264447180 377986379 /nfs/dbraw/zinc/98/63/79/377986379.db2.gz DARIVHZKSXZOBK-ZDUSSCGKSA-N 1 2 276.355 3.113 20 30 CGEDLO C=C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000264453980 377987228 /nfs/dbraw/zinc/98/72/28/377987228.db2.gz ITMAPEWMQHTSGH-UHFFFAOYSA-N 1 2 254.333 3.494 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1c(F)cccc1F ZINC000264721557 377991989 /nfs/dbraw/zinc/99/19/89/377991989.db2.gz NFKZVHZUSVOWIM-CQSZACIVSA-N 1 2 296.361 3.260 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1c(F)cccc1F ZINC000264721557 377991996 /nfs/dbraw/zinc/99/19/96/377991996.db2.gz NFKZVHZUSVOWIM-CQSZACIVSA-N 1 2 296.361 3.260 20 30 CGEDLO C=CC[N@@H+](Cc1cncc(OC)c1)Cc1ccccc1F ZINC000344041045 378154988 /nfs/dbraw/zinc/15/49/88/378154988.db2.gz JFVHMVQMUIBTOL-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@H+](Cc1cncc(OC)c1)Cc1ccccc1F ZINC000344041045 378154996 /nfs/dbraw/zinc/15/49/96/378154996.db2.gz JFVHMVQMUIBTOL-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000574700594 335040942 /nfs/dbraw/zinc/04/09/42/335040942.db2.gz DASGXPPBFSGXQJ-ZDUSSCGKSA-N 1 2 288.782 3.308 20 30 CGEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)cn1)c1nc(C)cs1 ZINC000580508888 378249541 /nfs/dbraw/zinc/24/95/41/378249541.db2.gz CGQILWMDMKDGQN-HNNXBMFYSA-N 1 2 286.404 3.133 20 30 CGEDLO Cc1cc(Br)c(C[NH2+]CC2(C#N)CC2)s1 ZINC000583606964 378335771 /nfs/dbraw/zinc/33/57/71/378335771.db2.gz CWDWBCNXXXCGBJ-UHFFFAOYSA-N 1 2 285.210 3.212 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc2ccc(Cl)cn12)CC1CC1 ZINC000271174819 378470600 /nfs/dbraw/zinc/47/06/00/378470600.db2.gz SEQDWYLKZAAAJV-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CCC[N@H+](Cc1cnc2ccc(Cl)cn12)CC1CC1 ZINC000271174819 378470606 /nfs/dbraw/zinc/47/06/06/378470606.db2.gz SEQDWYLKZAAAJV-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CCCN(Cc1c[nH+]c2ccc(Cl)cn12)CC1CC1 ZINC000271174819 378470610 /nfs/dbraw/zinc/47/06/10/378470610.db2.gz SEQDWYLKZAAAJV-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000274142301 378783479 /nfs/dbraw/zinc/78/34/79/378783479.db2.gz DGFKZJYHPNHDFD-VHSXEESVSA-N 1 2 272.377 3.130 20 30 CGEDLO Cc1ccc(C#N)c(NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000346856700 218037314 /nfs/dbraw/zinc/03/73/14/218037314.db2.gz XCJVBHOQWIGEPS-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000348356296 378925039 /nfs/dbraw/zinc/92/50/39/378925039.db2.gz MIFPSJVCUVEYFE-MRXNPFEDSA-N 1 2 282.391 3.116 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2C)nn1 ZINC000348356296 378925043 /nfs/dbraw/zinc/92/50/43/378925043.db2.gz MIFPSJVCUVEYFE-MRXNPFEDSA-N 1 2 282.391 3.116 20 30 CGEDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)[nH]1 ZINC000277141904 379080414 /nfs/dbraw/zinc/08/04/14/379080414.db2.gz DTPFCAFRLRVNJI-NWDGAFQWSA-N 1 2 283.379 3.041 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C/c3ccncc3C#N)n21 ZINC000349116303 379160839 /nfs/dbraw/zinc/16/08/39/379160839.db2.gz ZHQNIGCIKLHKJX-AATRIKPKSA-N 1 2 260.300 3.080 20 30 CGEDLO Cn1ccc([C@@H]([NH2+]CCCC#N)c2ccc(Cl)cc2)n1 ZINC000349724192 379359993 /nfs/dbraw/zinc/35/99/93/379359993.db2.gz SXCJOWKEWJSYEF-HNNXBMFYSA-N 1 2 288.782 3.056 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639669777 379537883 /nfs/dbraw/zinc/53/78/83/379537883.db2.gz YCWQXWTZXHBFRI-GRYCIOLGSA-N 1 2 290.329 3.206 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1F ZINC000376457769 379559084 /nfs/dbraw/zinc/55/90/84/379559084.db2.gz JZMSGYJEUVAUKO-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1F ZINC000376457769 379559092 /nfs/dbraw/zinc/55/90/92/379559092.db2.gz JZMSGYJEUVAUKO-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO C=CCCc1noc(CCn2c(C)[nH+]c3ccccc32)n1 ZINC000351131130 379656033 /nfs/dbraw/zinc/65/60/33/379656033.db2.gz MOVLQYAARSAOQU-UHFFFAOYSA-N 1 2 282.347 3.089 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H](C)C#N ZINC000351683991 379739139 /nfs/dbraw/zinc/73/91/39/379739139.db2.gz DAXHGOQZEBHZSY-ZDUSSCGKSA-N 1 2 275.396 3.240 20 30 CGEDLO CC[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@@H](C)C#N ZINC000351683991 379739146 /nfs/dbraw/zinc/73/91/46/379739146.db2.gz DAXHGOQZEBHZSY-ZDUSSCGKSA-N 1 2 275.396 3.240 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000352484932 379834460 /nfs/dbraw/zinc/83/44/60/379834460.db2.gz VLHNNBODXUSTTQ-UHFFFAOYSA-N 1 2 285.322 3.169 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCCOc1cccc(C#N)c1 ZINC000352552815 379854568 /nfs/dbraw/zinc/85/45/68/379854568.db2.gz COIOIPBSYHTXNO-UHFFFAOYSA-N 1 2 282.343 3.282 20 30 CGEDLO CCc1nc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)cs1 ZINC000380688006 379867299 /nfs/dbraw/zinc/86/72/99/379867299.db2.gz AAPKRHQGSVMGES-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO CCc1nc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cs1 ZINC000380688006 379867307 /nfs/dbraw/zinc/86/73/07/379867307.db2.gz AAPKRHQGSVMGES-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352810359 379974034 /nfs/dbraw/zinc/97/40/34/379974034.db2.gz MMCYQJDPNZQQIW-SECBINFHSA-N 1 2 291.351 3.013 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1F ZINC000404259913 379978469 /nfs/dbraw/zinc/97/84/69/379978469.db2.gz QUCVAGFHNOVJCJ-UHFFFAOYSA-N 1 2 298.365 3.299 20 30 CGEDLO Cc1cccc(CN(C)c2cc(C)[nH+]cc2C#N)c1 ZINC000399440696 379940744 /nfs/dbraw/zinc/94/07/44/379940744.db2.gz KQJRGGWPZGYXQY-UHFFFAOYSA-N 1 2 251.333 3.207 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1C#N)CCO2 ZINC000352825232 379984994 /nfs/dbraw/zinc/98/49/94/379984994.db2.gz ORFKMRBZTZAION-UHFFFAOYSA-N 1 2 278.355 3.261 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1C#N)CCO2 ZINC000352825232 379985002 /nfs/dbraw/zinc/98/50/02/379985002.db2.gz ORFKMRBZTZAION-UHFFFAOYSA-N 1 2 278.355 3.261 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cnccn1 ZINC000352953618 380054364 /nfs/dbraw/zinc/05/43/64/380054364.db2.gz RJOCRIQTUQFSHY-HNNXBMFYSA-N 1 2 299.422 3.393 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cnccn1 ZINC000352953618 380054373 /nfs/dbraw/zinc/05/43/73/380054373.db2.gz RJOCRIQTUQFSHY-HNNXBMFYSA-N 1 2 299.422 3.393 20 30 CGEDLO C=CCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000410877819 380120961 /nfs/dbraw/zinc/12/09/61/380120961.db2.gz TVSOWOKNGGGDCG-UHFFFAOYSA-N 1 2 269.348 3.409 20 30 CGEDLO C=CCCOCCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876692 380121200 /nfs/dbraw/zinc/12/12/00/380121200.db2.gz LRZCMXCRHCITOD-UHFFFAOYSA-N 1 2 287.363 3.036 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C ZINC000411185909 380134515 /nfs/dbraw/zinc/13/45/15/380134515.db2.gz NJSSCYFMOLUUFI-ZDUSSCGKSA-N 1 2 292.398 3.117 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C ZINC000411185909 380134517 /nfs/dbraw/zinc/13/45/17/380134517.db2.gz NJSSCYFMOLUUFI-ZDUSSCGKSA-N 1 2 292.398 3.117 20 30 CGEDLO C=C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000353312442 380202744 /nfs/dbraw/zinc/20/27/44/380202744.db2.gz XDHAMGLQUKTXTO-UHFFFAOYSA-N 1 2 282.181 3.307 20 30 CGEDLO C[N@H+](Cc1ccc(OC(F)F)c(F)c1)CC(C)(C)C#N ZINC000354017377 380281134 /nfs/dbraw/zinc/28/11/34/380281134.db2.gz JPXYDMRKFVSLAL-UHFFFAOYSA-N 1 2 286.297 3.409 20 30 CGEDLO C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)CC(C)(C)C#N ZINC000354017377 380281138 /nfs/dbraw/zinc/28/11/38/380281138.db2.gz JPXYDMRKFVSLAL-UHFFFAOYSA-N 1 2 286.297 3.409 20 30 CGEDLO CCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000354025677 380286051 /nfs/dbraw/zinc/28/60/51/380286051.db2.gz HTAIWOTXIBNYKL-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO CCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1OC ZINC000354025677 380286059 /nfs/dbraw/zinc/28/60/59/380286059.db2.gz HTAIWOTXIBNYKL-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000356095084 380789796 /nfs/dbraw/zinc/78/97/96/380789796.db2.gz XBQKBQGXIXOABC-QWRGUYRKSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000356095084 380789805 /nfs/dbraw/zinc/78/98/05/380789805.db2.gz XBQKBQGXIXOABC-QWRGUYRKSA-N 1 2 298.308 3.186 20 30 CGEDLO N#CCC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420972846 380867664 /nfs/dbraw/zinc/86/76/64/380867664.db2.gz MINUDSRMFRBKLW-CYBMUJFWSA-N 1 2 293.208 3.370 20 30 CGEDLO N#CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420972846 380867673 /nfs/dbraw/zinc/86/76/73/380867673.db2.gz MINUDSRMFRBKLW-CYBMUJFWSA-N 1 2 293.208 3.370 20 30 CGEDLO N#Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000360338947 381519797 /nfs/dbraw/zinc/51/97/97/381519797.db2.gz WIAMMCKGTGEMSI-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361600620 381828955 /nfs/dbraw/zinc/82/89/55/381828955.db2.gz HBYXEPYIXQVXPL-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000361600620 381828959 /nfs/dbraw/zinc/82/89/59/381828959.db2.gz HBYXEPYIXQVXPL-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC23CCC3)c1C ZINC000362264986 381922881 /nfs/dbraw/zinc/92/28/81/381922881.db2.gz CCITVILRBSNUHY-UHFFFAOYSA-N 1 2 272.392 3.102 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC23CCC3)c1C ZINC000362264986 381922888 /nfs/dbraw/zinc/92/28/88/381922888.db2.gz CCITVILRBSNUHY-UHFFFAOYSA-N 1 2 272.392 3.102 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)o1 ZINC000363564693 382234611 /nfs/dbraw/zinc/23/46/11/382234611.db2.gz WNONGLFZVJLERJ-GOSISDBHSA-N 1 2 289.338 3.425 20 30 CGEDLO C=CCN(c1nc(C)[nH+]c(C)c1Br)C1CC1 ZINC000322763078 542440390 /nfs/dbraw/zinc/44/03/90/542440390.db2.gz CUFOSTHOJPZACS-UHFFFAOYSA-N 1 2 282.185 3.011 20 30 CGEDLO CCCn1nc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000354025796 262280282 /nfs/dbraw/zinc/28/02/82/262280282.db2.gz JMHIEJCMFQRXPG-LBPRGKRZSA-N 1 2 274.412 3.034 20 30 CGEDLO CCCn1nc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000354025796 262280284 /nfs/dbraw/zinc/28/02/84/262280284.db2.gz JMHIEJCMFQRXPG-LBPRGKRZSA-N 1 2 274.412 3.034 20 30 CGEDLO Cc1ccc(C#N)c(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000286031681 392365971 /nfs/dbraw/zinc/36/59/71/392365971.db2.gz GMZDVNSLFBKREM-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000289065110 392413619 /nfs/dbraw/zinc/41/36/19/392413619.db2.gz NPSPOQFALXEWAM-INIZCTEOSA-N 1 2 295.346 3.171 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H](C)C2CCOCC2)c1O ZINC000122895163 392424715 /nfs/dbraw/zinc/42/47/15/392424715.db2.gz NDOLWYPUCOCRHN-PBSOMRJOSA-N 1 2 277.364 3.025 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000372282719 392597417 /nfs/dbraw/zinc/59/74/17/392597417.db2.gz OYKIDYPDYOSNCX-AWEZNQCLSA-N 1 2 295.386 3.349 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000372282719 392597424 /nfs/dbraw/zinc/59/74/24/392597424.db2.gz OYKIDYPDYOSNCX-AWEZNQCLSA-N 1 2 295.386 3.349 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)CC(C)C)CCC2 ZINC000330393360 392693206 /nfs/dbraw/zinc/69/32/06/392693206.db2.gz HZZYRIIBDCGYAI-JSGCOSHPSA-N 1 2 292.427 3.007 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374066857 392668528 /nfs/dbraw/zinc/66/85/28/392668528.db2.gz QJEDUVBLXLJBFQ-INIZCTEOSA-N 1 2 285.778 3.175 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374066857 392668532 /nfs/dbraw/zinc/66/85/32/392668532.db2.gz QJEDUVBLXLJBFQ-INIZCTEOSA-N 1 2 285.778 3.175 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000527620132 392956798 /nfs/dbraw/zinc/95/67/98/392956798.db2.gz QPBKLRUJKOLIIX-UHFFFAOYSA-N 1 2 292.386 3.030 20 30 CGEDLO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000527620132 392956802 /nfs/dbraw/zinc/95/68/02/392956802.db2.gz QPBKLRUJKOLIIX-UHFFFAOYSA-N 1 2 292.386 3.030 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404051874 392962854 /nfs/dbraw/zinc/96/28/54/392962854.db2.gz FLNUYKQDWBHSAD-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404051874 392962864 /nfs/dbraw/zinc/96/28/64/392962864.db2.gz FLNUYKQDWBHSAD-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO CC(C)(CC#N)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000413411032 393024196 /nfs/dbraw/zinc/02/41/96/393024196.db2.gz QNWOSEBWJCLHML-UHFFFAOYSA-N 1 2 257.259 3.452 20 30 CGEDLO CC(C)N(C)c1ccc(/C=C/c2ccncc2C#N)c[nH+]1 ZINC000349113641 393139264 /nfs/dbraw/zinc/13/92/64/393139264.db2.gz SGLLUYJPQCAXFS-GQCTYLIASA-N 1 2 278.359 3.363 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccon1 ZINC000349238187 393141034 /nfs/dbraw/zinc/14/10/34/393141034.db2.gz GRVUIOYRYWJDMX-NSHDSACASA-N 1 2 260.724 3.030 20 30 CGEDLO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC000418110642 393361924 /nfs/dbraw/zinc/36/19/24/393361924.db2.gz FMCLUMWCQMMCQF-ULQDDVLXSA-N 1 2 287.403 3.278 20 30 CGEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nc(C#N)cs1 ZINC000356436517 393444342 /nfs/dbraw/zinc/44/43/42/393444342.db2.gz KFQMLZQXOFDXOG-OAHLLOKOSA-N 1 2 283.400 3.352 20 30 CGEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1nc(C#N)cs1 ZINC000356436517 393444345 /nfs/dbraw/zinc/44/43/45/393444345.db2.gz KFQMLZQXOFDXOG-OAHLLOKOSA-N 1 2 283.400 3.352 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000427012308 393452683 /nfs/dbraw/zinc/45/26/83/393452683.db2.gz OLAQEJCWEYUKLC-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000427012308 393452687 /nfs/dbraw/zinc/45/26/87/393452687.db2.gz OLAQEJCWEYUKLC-XJKSGUPXSA-N 1 2 277.795 3.191 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000491438728 393689142 /nfs/dbraw/zinc/68/91/42/393689142.db2.gz FYQBUMYZVWSDRB-ZDUSSCGKSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000491438728 393689145 /nfs/dbraw/zinc/68/91/45/393689145.db2.gz FYQBUMYZVWSDRB-ZDUSSCGKSA-N 1 2 254.333 3.104 20 30 CGEDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C)cc(C)c1C#N)CCC2 ZINC000361189091 393698866 /nfs/dbraw/zinc/69/88/66/393698866.db2.gz PPBWMGGRTAWCGY-CQSZACIVSA-N 1 2 295.390 3.065 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC000668823019 543067552 /nfs/dbraw/zinc/06/75/52/543067552.db2.gz COLISKBYNQTRNF-INIZCTEOSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC000668823019 543067556 /nfs/dbraw/zinc/06/75/56/543067556.db2.gz COLISKBYNQTRNF-INIZCTEOSA-N 1 2 297.345 3.107 20 30 CGEDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000554849090 289313351 /nfs/dbraw/zinc/31/33/51/289313351.db2.gz VEMWVWWGCGOGSP-CJNGLKHVSA-N 1 2 288.391 3.187 20 30 CGEDLO COc1c(C)c[nH+]c(CN(C)c2ccc(C#N)cc2)c1C ZINC000060009984 286954414 /nfs/dbraw/zinc/95/44/14/286954414.db2.gz FDUYATFXWASROE-UHFFFAOYSA-N 1 2 281.359 3.215 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000080278245 165151830 /nfs/dbraw/zinc/15/18/30/165151830.db2.gz JDSYGMACTZJOOH-ZDUSSCGKSA-N 1 2 275.352 3.395 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000080311485 165152674 /nfs/dbraw/zinc/15/26/74/165152674.db2.gz HSTQLTKEURKFQL-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000121260015 287195582 /nfs/dbraw/zinc/19/55/82/287195582.db2.gz NYRJNMATWVNENF-LJQANCHMSA-N 1 2 292.382 3.306 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000121260015 287195583 /nfs/dbraw/zinc/19/55/83/287195583.db2.gz NYRJNMATWVNENF-LJQANCHMSA-N 1 2 292.382 3.306 20 30 CGEDLO C=CCOCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000664387317 418947633 /nfs/dbraw/zinc/94/76/33/418947633.db2.gz YKTWODORABUEIT-UHFFFAOYSA-N 1 2 260.259 3.105 20 30 CGEDLO CSc1ccc(NCc2cc(C#N)cs2)[nH+]c1 ZINC000150889599 287501845 /nfs/dbraw/zinc/50/18/45/287501845.db2.gz YBRBMBVETFRIKF-UHFFFAOYSA-N 1 2 261.375 3.349 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(C)nc(C)n1 ZINC000659815594 418998116 /nfs/dbraw/zinc/99/81/16/418998116.db2.gz HFDUBFWSXNADNN-UHFFFAOYSA-N 1 2 273.405 3.343 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(C)nc(C)n1 ZINC000659815594 418998117 /nfs/dbraw/zinc/99/81/17/418998117.db2.gz HFDUBFWSXNADNN-UHFFFAOYSA-N 1 2 273.405 3.343 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708627 419184677 /nfs/dbraw/zinc/18/46/77/419184677.db2.gz RUIQFXQXEQWXLZ-SNVBAGLBSA-N 1 2 261.756 3.232 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708627 419184680 /nfs/dbraw/zinc/18/46/80/419184680.db2.gz RUIQFXQXEQWXLZ-SNVBAGLBSA-N 1 2 261.756 3.232 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708627 419184683 /nfs/dbraw/zinc/18/46/83/419184683.db2.gz RUIQFXQXEQWXLZ-SNVBAGLBSA-N 1 2 261.756 3.232 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708627 419184687 /nfs/dbraw/zinc/18/46/87/419184687.db2.gz RUIQFXQXEQWXLZ-SNVBAGLBSA-N 1 2 261.756 3.232 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000661380234 419255993 /nfs/dbraw/zinc/25/59/93/419255993.db2.gz LKTLPRBUIFMQES-MRXNPFEDSA-N 1 2 297.402 3.449 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000661380234 419255995 /nfs/dbraw/zinc/25/59/95/419255995.db2.gz LKTLPRBUIFMQES-MRXNPFEDSA-N 1 2 297.402 3.449 20 30 CGEDLO CC#CCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534531 419270458 /nfs/dbraw/zinc/27/04/58/419270458.db2.gz GQSZNGBBVKMQND-LLVKDONJSA-N 1 2 283.297 3.046 20 30 CGEDLO CC#CCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661534531 419270461 /nfs/dbraw/zinc/27/04/61/419270461.db2.gz GQSZNGBBVKMQND-LLVKDONJSA-N 1 2 283.297 3.046 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356083795 228114712 /nfs/dbraw/zinc/11/47/12/228114712.db2.gz KBQCTQRNKSOGOP-JTQLQIEISA-N 1 2 281.281 3.169 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356083795 228114713 /nfs/dbraw/zinc/11/47/13/228114713.db2.gz KBQCTQRNKSOGOP-JTQLQIEISA-N 1 2 281.281 3.169 20 30 CGEDLO C=CC1CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663586253 419652238 /nfs/dbraw/zinc/65/22/38/419652238.db2.gz JKWWYPDSFGANGW-UHFFFAOYSA-N 1 2 296.212 3.258 20 30 CGEDLO C#CCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187794909 260057643 /nfs/dbraw/zinc/05/76/43/260057643.db2.gz RQMFPYDBALFFBY-JTQLQIEISA-N 1 2 253.292 3.125 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000297948778 260138782 /nfs/dbraw/zinc/13/87/82/260138782.db2.gz SOKKUSSTFJHFPK-CQSZACIVSA-N 1 2 283.375 3.395 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1noc(C)n1 ZINC000298089181 260142697 /nfs/dbraw/zinc/14/26/97/260142697.db2.gz KPOCUVZUNZIXDD-CYBMUJFWSA-N 1 2 271.364 3.170 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1noc(C)n1 ZINC000298089181 260142698 /nfs/dbraw/zinc/14/26/98/260142698.db2.gz KPOCUVZUNZIXDD-CYBMUJFWSA-N 1 2 271.364 3.170 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000298506887 260156057 /nfs/dbraw/zinc/15/60/57/260156057.db2.gz KKQVKQJCAYCKEB-UHFFFAOYSA-N 1 2 254.736 3.095 20 30 CGEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000299283203 260180464 /nfs/dbraw/zinc/18/04/64/260180464.db2.gz NFHHYHBNSYKNAK-MRXNPFEDSA-N 1 2 296.414 3.014 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000047979376 260197946 /nfs/dbraw/zinc/19/79/46/260197946.db2.gz OJZBHCHUENAJNP-SNVBAGLBSA-N 1 2 256.271 3.297 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000047979376 260197947 /nfs/dbraw/zinc/19/79/47/260197947.db2.gz OJZBHCHUENAJNP-SNVBAGLBSA-N 1 2 256.271 3.297 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCC[C@H](SC)C2)c1O ZINC000117107624 260684695 /nfs/dbraw/zinc/68/46/95/260684695.db2.gz GQWRYGMQFZXRJA-CUBVEXIESA-N 1 2 279.405 3.494 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCOC(C)(C)C2)c1O ZINC000124154865 260744905 /nfs/dbraw/zinc/74/49/05/260744905.db2.gz QQRLCVPUGFOFFF-VVBXCHJUSA-N 1 2 277.364 3.167 20 30 CGEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000155289127 261100392 /nfs/dbraw/zinc/10/03/92/261100392.db2.gz MIRDZSKACOADGZ-KRWDZBQOSA-N 1 2 297.427 3.131 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000248872449 261207616 /nfs/dbraw/zinc/20/76/16/261207616.db2.gz IEJBVEKUVJMOJA-GUTXKFCHSA-N 1 2 296.374 3.470 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000184088472 262008291 /nfs/dbraw/zinc/00/82/91/262008291.db2.gz CAMHXLGLESHYJS-LLVKDONJSA-N 1 2 251.399 3.123 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccc1Br ZINC000184085352 262008333 /nfs/dbraw/zinc/00/83/33/262008333.db2.gz KNRSCOPBXSSFSH-NSHDSACASA-N 1 2 297.196 3.240 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC000184096505 262009013 /nfs/dbraw/zinc/00/90/13/262009013.db2.gz ZZVSEYTTYCISEG-LLVKDONJSA-N 1 2 284.306 3.078 20 30 CGEDLO C=CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112212097 262488228 /nfs/dbraw/zinc/48/82/28/262488228.db2.gz CPPYYWOAJNHPPH-UHFFFAOYSA-N 1 2 269.304 3.181 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2([C@H](O)C(C)C)CC2)c1O ZINC000271787379 262999719 /nfs/dbraw/zinc/99/97/19/262999719.db2.gz IGBORNCLQOHKIN-VHWUNXFSSA-N 1 2 291.391 3.007 20 30 CGEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c(C)c1 ZINC000272595253 263007279 /nfs/dbraw/zinc/00/72/79/263007279.db2.gz PZHICFFOHYYPFI-HNNXBMFYSA-N 1 2 299.418 3.256 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272596677 263007321 /nfs/dbraw/zinc/00/73/21/263007321.db2.gz QIKVYQUTSMWUSU-UHFFFAOYSA-N 1 2 299.418 3.374 20 30 CGEDLO C[C@H](CCC#N)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276312903 263036147 /nfs/dbraw/zinc/03/61/47/263036147.db2.gz MSDIPQGOKBPVBU-SNVBAGLBSA-N 1 2 281.743 3.372 20 30 CGEDLO C[C@H](CCC#N)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276312903 263036148 /nfs/dbraw/zinc/03/61/48/263036148.db2.gz MSDIPQGOKBPVBU-SNVBAGLBSA-N 1 2 281.743 3.372 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279729054 263057100 /nfs/dbraw/zinc/05/71/00/263057100.db2.gz VSZOJETVVSPRGW-LLVKDONJSA-N 1 2 299.340 3.363 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279729054 263057101 /nfs/dbraw/zinc/05/71/01/263057101.db2.gz VSZOJETVVSPRGW-LLVKDONJSA-N 1 2 299.340 3.363 20 30 CGEDLO CO[C@@H](C[N@H+](C)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006248 263080327 /nfs/dbraw/zinc/08/03/27/263080327.db2.gz GAIVUVJXLZICKH-FZMZJTMJSA-N 1 2 266.772 3.261 20 30 CGEDLO CO[C@@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006248 263080328 /nfs/dbraw/zinc/08/03/28/263080328.db2.gz GAIVUVJXLZICKH-FZMZJTMJSA-N 1 2 266.772 3.261 20 30 CGEDLO CO[C@@H](C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000284332633 263086386 /nfs/dbraw/zinc/08/63/86/263086386.db2.gz ITTURNVOPPTMRH-KRWDZBQOSA-N 1 2 284.359 3.383 20 30 CGEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC000284332633 263086387 /nfs/dbraw/zinc/08/63/87/263086387.db2.gz ITTURNVOPPTMRH-KRWDZBQOSA-N 1 2 284.359 3.383 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290387967 263116382 /nfs/dbraw/zinc/11/63/82/263116382.db2.gz JDEQBUYUQWZYPL-SECBINFHSA-N 1 2 272.270 3.002 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290387967 263116383 /nfs/dbraw/zinc/11/63/83/263116383.db2.gz JDEQBUYUQWZYPL-SECBINFHSA-N 1 2 272.270 3.002 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000292137722 263128902 /nfs/dbraw/zinc/12/89/02/263128902.db2.gz JFUKKYRPYDYVTF-LBPRGKRZSA-N 1 2 259.309 3.057 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000292137722 263128903 /nfs/dbraw/zinc/12/89/03/263128903.db2.gz JFUKKYRPYDYVTF-LBPRGKRZSA-N 1 2 259.309 3.057 20 30 CGEDLO C=CCC(C)(C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000292455645 263132369 /nfs/dbraw/zinc/13/23/69/263132369.db2.gz OEHPHJZKJSICMT-UHFFFAOYSA-N 1 2 291.439 3.286 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)c(F)c1O ZINC000296347115 263190498 /nfs/dbraw/zinc/19/04/98/263190498.db2.gz IDFAULBVCGFFLK-DCAQKATOSA-N 1 2 280.318 3.403 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156848808 263274568 /nfs/dbraw/zinc/27/45/68/263274568.db2.gz IOUDZOLXRGPDMD-UHFFFAOYSA-N 1 2 290.769 3.301 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156848808 263274569 /nfs/dbraw/zinc/27/45/69/263274569.db2.gz IOUDZOLXRGPDMD-UHFFFAOYSA-N 1 2 290.769 3.301 20 30 CGEDLO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330855070 264069702 /nfs/dbraw/zinc/06/97/02/264069702.db2.gz RVENUKAYXNZODN-GDBMZVCRSA-N 1 2 299.418 3.339 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125975523 264122429 /nfs/dbraw/zinc/12/24/29/264122429.db2.gz PVLBEFGDFUZBKA-GOEBONIOSA-N 1 2 287.407 3.061 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334008947 264233435 /nfs/dbraw/zinc/23/34/35/264233435.db2.gz JTJMUTRCYXRJME-ZIAGYGMSSA-N 1 2 290.411 3.044 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000132457398 264388743 /nfs/dbraw/zinc/38/87/43/264388743.db2.gz ZCIQQKAFMUOIKS-CQSZACIVSA-N 1 2 269.335 3.081 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000132457398 264388745 /nfs/dbraw/zinc/38/87/45/264388745.db2.gz ZCIQQKAFMUOIKS-CQSZACIVSA-N 1 2 269.335 3.081 20 30 CGEDLO C=C[C@H]1CCCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000362850551 267053636 /nfs/dbraw/zinc/05/36/36/267053636.db2.gz BTROVGVZXCISHF-AWEZNQCLSA-N 1 2 272.396 3.012 20 30 CGEDLO C=C[C@H]1CCCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000362850551 267053637 /nfs/dbraw/zinc/05/36/37/267053637.db2.gz BTROVGVZXCISHF-AWEZNQCLSA-N 1 2 272.396 3.012 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356190148 267146419 /nfs/dbraw/zinc/14/64/19/267146419.db2.gz HGOOLXPELLICKT-SNVBAGLBSA-N 1 2 281.281 3.311 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356190148 267146421 /nfs/dbraw/zinc/14/64/21/267146421.db2.gz HGOOLXPELLICKT-SNVBAGLBSA-N 1 2 281.281 3.311 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000555635711 289354357 /nfs/dbraw/zinc/35/43/57/289354357.db2.gz UURYIEBIMFXHSC-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000555635711 289354362 /nfs/dbraw/zinc/35/43/62/289354362.db2.gz UURYIEBIMFXHSC-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000267272008 303176243 /nfs/dbraw/zinc/17/62/43/303176243.db2.gz MSGDCQPOXBSTTH-CQSZACIVSA-N 1 2 270.311 3.152 20 30 CGEDLO COc1cc(C[N@H+](CCC#N)C(C)C)cc(Cl)c1OC ZINC000534341925 328049804 /nfs/dbraw/zinc/04/98/04/328049804.db2.gz PFUYBIPRUVPGFI-UHFFFAOYSA-N 1 2 296.798 3.481 20 30 CGEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)cc(Cl)c1OC ZINC000534341925 328049805 /nfs/dbraw/zinc/04/98/05/328049805.db2.gz PFUYBIPRUVPGFI-UHFFFAOYSA-N 1 2 296.798 3.481 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000563366147 328059633 /nfs/dbraw/zinc/05/96/33/328059633.db2.gz HEQAFVHLQCLDSR-CABCVRRESA-N 1 2 287.407 3.221 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000273894446 328207259 /nfs/dbraw/zinc/20/72/59/328207259.db2.gz UOQWXZZCMNIBGO-LLVKDONJSA-N 1 2 267.716 3.030 20 30 CGEDLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000565761742 322090116 /nfs/dbraw/zinc/09/01/16/322090116.db2.gz BLYQTXGKKZVOMZ-NSHDSACASA-N 1 2 279.347 3.096 20 30 CGEDLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000565761742 322090118 /nfs/dbraw/zinc/09/01/18/322090118.db2.gz BLYQTXGKKZVOMZ-NSHDSACASA-N 1 2 279.347 3.096 20 30 CGEDLO COc1cc2c(c(C[N@H+](CCC#N)C(C)C)c1)O[C@H](C)C2 ZINC000535072679 328383811 /nfs/dbraw/zinc/38/38/11/328383811.db2.gz MNCIVKLFBXUQDO-CYBMUJFWSA-N 1 2 288.391 3.143 20 30 CGEDLO COc1cc2c(c(C[N@@H+](CCC#N)C(C)C)c1)O[C@H](C)C2 ZINC000535072679 328383812 /nfs/dbraw/zinc/38/38/12/328383812.db2.gz MNCIVKLFBXUQDO-CYBMUJFWSA-N 1 2 288.391 3.143 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Br)ccc2F)CCC1 ZINC000258851117 326879702 /nfs/dbraw/zinc/87/97/02/326879702.db2.gz FYZNUQKJPMMGBO-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000584122658 327045055 /nfs/dbraw/zinc/04/50/55/327045055.db2.gz YOEMXPDHNVXKOM-WMLDXEAASA-N 1 2 297.402 3.412 20 30 CGEDLO C=CCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000584122658 327045057 /nfs/dbraw/zinc/04/50/57/327045057.db2.gz YOEMXPDHNVXKOM-WMLDXEAASA-N 1 2 297.402 3.412 20 30 CGEDLO C=C(Br)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000171064320 329074133 /nfs/dbraw/zinc/07/41/33/329074133.db2.gz JNESOKWRSWYHFH-UHFFFAOYSA-N 1 2 294.192 3.390 20 30 CGEDLO C=C(Br)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000171064320 329074135 /nfs/dbraw/zinc/07/41/35/329074135.db2.gz JNESOKWRSWYHFH-UHFFFAOYSA-N 1 2 294.192 3.390 20 30 CGEDLO C=CCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000175489232 329168889 /nfs/dbraw/zinc/16/88/89/329168889.db2.gz WPTOPHVNGYTCDF-UHFFFAOYSA-N 1 2 255.321 3.372 20 30 CGEDLO C=C(C)CN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000181697085 329235807 /nfs/dbraw/zinc/23/58/07/329235807.db2.gz UDSDRQRGRQWPLH-UHFFFAOYSA-N 1 2 284.363 3.127 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3ccc(CC#N)cc3)n2c1 ZINC000185151535 329266794 /nfs/dbraw/zinc/26/67/94/329266794.db2.gz KDCOFGVNSOKGMG-UHFFFAOYSA-N 1 2 276.343 3.321 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)C[C@H](C)C#N ZINC000533265503 330355901 /nfs/dbraw/zinc/35/59/01/330355901.db2.gz XVNKOLQEHHEQHB-CQSZACIVSA-N 1 2 280.375 3.125 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccccc2)nc1)C[C@H](C)C#N ZINC000533265503 330355902 /nfs/dbraw/zinc/35/59/02/330355902.db2.gz XVNKOLQEHHEQHB-CQSZACIVSA-N 1 2 280.375 3.125 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000424584976 330390676 /nfs/dbraw/zinc/39/06/76/330390676.db2.gz QKRKPHGGEFZMDP-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO CCc1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000433029639 330613244 /nfs/dbraw/zinc/61/32/44/330613244.db2.gz SZWDYVNNTYCQNI-CQSZACIVSA-N 1 2 284.363 3.157 20 30 CGEDLO N#CCC[C@H](C#N)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434505129 330640381 /nfs/dbraw/zinc/64/03/81/330640381.db2.gz XVONAEABIFRQAG-OAHLLOKOSA-N 1 2 285.366 3.391 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccsc1C)C(=O)OCC ZINC000449653494 330942063 /nfs/dbraw/zinc/94/20/63/330942063.db2.gz CIKGJKNTSOZYQF-ZDUSSCGKSA-N 1 2 267.394 3.044 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451015759 331011807 /nfs/dbraw/zinc/01/18/07/331011807.db2.gz KLJUJAILAKIFKE-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451015759 331011808 /nfs/dbraw/zinc/01/18/08/331011808.db2.gz KLJUJAILAKIFKE-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015759 331011809 /nfs/dbraw/zinc/01/18/09/331011809.db2.gz KLJUJAILAKIFKE-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015759 331011810 /nfs/dbraw/zinc/01/18/10/331011810.db2.gz KLJUJAILAKIFKE-AWEZNQCLSA-N 1 2 273.767 3.377 20 30 CGEDLO C=C(CC)CNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000459090964 331270085 /nfs/dbraw/zinc/27/00/85/331270085.db2.gz MFLLREUNKBATAP-HNNXBMFYSA-N 1 2 298.390 3.107 20 30 CGEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000490760102 332112999 /nfs/dbraw/zinc/11/29/99/332112999.db2.gz JQXUBZWCKBSRQO-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO C#CC[N@H+](CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000490760102 332113000 /nfs/dbraw/zinc/11/30/00/332113000.db2.gz JQXUBZWCKBSRQO-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO C#C[C@@H](CCC)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000491567377 332239547 /nfs/dbraw/zinc/23/95/47/332239547.db2.gz KTNSBDYUYVZTFA-HNNXBMFYSA-N 1 2 294.354 3.406 20 30 CGEDLO C=C1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000491577011 332241063 /nfs/dbraw/zinc/24/10/63/332241063.db2.gz RJRCULLJOWNEBS-DAXSKMNVSA-N 1 2 293.370 3.064 20 30 CGEDLO C#C[C@H]([NH2+]Cc1c(CC)nn(C)c1CC)c1ccc(F)cc1 ZINC000491660518 332270780 /nfs/dbraw/zinc/27/07/80/332270780.db2.gz JWKXDPAHPKSOHJ-INIZCTEOSA-N 1 2 299.393 3.148 20 30 CGEDLO CCOc1c(Cl)cccc1C[NH+]1CCC(C#N)CC1 ZINC000494922249 332491538 /nfs/dbraw/zinc/49/15/38/332491538.db2.gz KMQURULRRAKYMO-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@@H](C(=O)OC)c1cccc(Cl)c1 ZINC000500803102 332619226 /nfs/dbraw/zinc/61/92/26/332619226.db2.gz SGRIGPLUQINGRG-UONOGXRCSA-N 1 2 281.783 3.498 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000572972020 334896325 /nfs/dbraw/zinc/89/63/25/334896325.db2.gz MJWIEQIHIOBDCH-VXGBXAGGSA-N 1 2 291.420 3.017 20 30 CGEDLO CC(C)([NH2+]CC1(C#N)CC1)c1nc2ccccc2s1 ZINC000528601605 333448613 /nfs/dbraw/zinc/44/86/13/333448613.db2.gz DSLDOPFQDPBUKN-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO CC1(C)Cc2cc(CNc3cc(CC#N)cc[nH+]3)ccc2O1 ZINC000545219066 333970266 /nfs/dbraw/zinc/97/02/66/333970266.db2.gz DCDFLZOTKANJAI-UHFFFAOYSA-N 1 2 293.370 3.473 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075625447 334047371 /nfs/dbraw/zinc/04/73/71/334047371.db2.gz SZGOEJALVKSCLG-UHFFFAOYSA-N 1 2 271.339 3.185 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547648585 334105504 /nfs/dbraw/zinc/10/55/04/334105504.db2.gz OBRBDKJMASKZCJ-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547648585 334105505 /nfs/dbraw/zinc/10/55/05/334105505.db2.gz OBRBDKJMASKZCJ-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000134918425 334108383 /nfs/dbraw/zinc/10/83/83/334108383.db2.gz VXJISLJHYIEQBP-SFHVURJKSA-N 1 2 297.402 3.150 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565484037 334567900 /nfs/dbraw/zinc/56/79/00/334567900.db2.gz WCIRUEFHULTGDH-MRXNPFEDSA-N 1 2 297.402 3.439 20 30 CGEDLO C=CC[C@H]1N(C(=O)C[C@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC000568633776 334833860 /nfs/dbraw/zinc/83/38/60/334833860.db2.gz LZNBXDVTHSAMMR-LSDHHAIUSA-N 1 2 289.423 3.428 20 30 CGEDLO CC1(C#N)C[NH+](CCc2ccc3ccccc3c2)C1 ZINC000578937640 335690734 /nfs/dbraw/zinc/69/07/34/335690734.db2.gz CPFFUBMORPJLOI-UHFFFAOYSA-N 1 2 250.345 3.228 20 30 CGEDLO CCCOc1c(C[NH2+]C[C@@H](C)C#N)cccc1OCC ZINC000183826365 335908181 /nfs/dbraw/zinc/90/81/81/335908181.db2.gz IZBKFSLYCMKSMA-ZDUSSCGKSA-N 1 2 276.380 3.123 20 30 CGEDLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000356091768 533727810 /nfs/dbraw/zinc/72/78/10/533727810.db2.gz HMYGFTWUNNNVBY-HNNXBMFYSA-N 1 2 299.399 3.360 20 30 CGEDLO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000356091768 533727817 /nfs/dbraw/zinc/72/78/17/533727817.db2.gz HMYGFTWUNNNVBY-HNNXBMFYSA-N 1 2 299.399 3.360 20 30 CGEDLO Cc1cc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000425239458 534033364 /nfs/dbraw/zinc/03/33/64/534033364.db2.gz WYSIMQHRJLPKJR-DGCLKSJQSA-N 1 2 297.324 3.464 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(C2CC2)o1 ZINC000352700312 526327849 /nfs/dbraw/zinc/32/78/49/526327849.db2.gz MRMLDEZYTHMIIW-UHFFFAOYSA-N 1 2 272.348 3.376 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(C2CC2)o1 ZINC000352700312 526327853 /nfs/dbraw/zinc/32/78/53/526327853.db2.gz MRMLDEZYTHMIIW-UHFFFAOYSA-N 1 2 272.348 3.376 20 30 CGEDLO C=CCN(CCc1ccco1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000352089840 526329332 /nfs/dbraw/zinc/32/93/32/526329332.db2.gz RCAKGPKALUVWRZ-UHFFFAOYSA-N 1 2 283.375 3.491 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccccc1 ZINC000347692077 526378716 /nfs/dbraw/zinc/37/87/16/526378716.db2.gz VNJNLQINNCFSJZ-UHFFFAOYSA-N 1 2 277.318 3.466 20 30 CGEDLO C=CC[N@H+](Cc1ccn(C(F)F)n1)Cc1ccccc1 ZINC000347692077 526378720 /nfs/dbraw/zinc/37/87/20/526378720.db2.gz VNJNLQINNCFSJZ-UHFFFAOYSA-N 1 2 277.318 3.466 20 30 CGEDLO N#Cc1c(Cl)cccc1NCCCCn1cc[nH+]c1 ZINC000052904733 526518986 /nfs/dbraw/zinc/51/89/86/526518986.db2.gz SADZESLFOSSXJI-UHFFFAOYSA-N 1 2 274.755 3.300 20 30 CGEDLO N#Cc1ccc(NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000062791148 526661794 /nfs/dbraw/zinc/66/17/94/526661794.db2.gz LDZBGJDBRFNXNP-UHFFFAOYSA-N 1 2 274.755 3.300 20 30 CGEDLO C=CCC[C@H](CC)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348832600 527466632 /nfs/dbraw/zinc/46/66/32/527466632.db2.gz JNQLASOWHBOFGP-HNNXBMFYSA-N 1 2 270.380 3.483 20 30 CGEDLO CCN(CC)c1ccc(NCc2ccc(C#N)s2)c[nH+]1 ZINC000158133212 528313381 /nfs/dbraw/zinc/31/33/81/528313381.db2.gz FJGHBXPSSKBVAQ-UHFFFAOYSA-N 1 2 286.404 3.473 20 30 CGEDLO Cc1ccc([C@H](C)C/[NH+]=C\c2c(O)c(C)ncc2CO)cc1 ZINC000737440753 572342929 /nfs/dbraw/zinc/34/29/29/572342929.db2.gz NZCYCPWEPRUDDY-XTBHVRTMSA-N 1 2 298.386 3.119 20 30 CGEDLO Oc1cccc(/C=[NH+]\C[C@H]2CCOc3ccccc32)c1O ZINC000731155652 572398349 /nfs/dbraw/zinc/39/83/49/572398349.db2.gz NVITXIPEMLLVRH-OTWJJXBCSA-N 1 2 283.327 3.083 20 30 CGEDLO CC(C)Oc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000731156193 572398409 /nfs/dbraw/zinc/39/84/09/572398409.db2.gz AGTQKZXRYGQHLB-BQYQJAHWSA-N 1 2 256.305 3.093 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000725806222 572411257 /nfs/dbraw/zinc/41/12/57/572411257.db2.gz WNBOMYXYICPPEC-ZDUSSCGKSA-N 1 2 294.192 3.228 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000725806222 572411260 /nfs/dbraw/zinc/41/12/60/572411260.db2.gz WNBOMYXYICPPEC-ZDUSSCGKSA-N 1 2 294.192 3.228 20 30 CGEDLO O=C1c2cccc(O)c2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000742435267 572582236 /nfs/dbraw/zinc/58/22/36/572582236.db2.gz SFCRVNFHXPUMSX-BENRWUELSA-N 1 2 290.322 3.252 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CC1Cc2ccccc2C1 ZINC000735229130 572706771 /nfs/dbraw/zinc/70/67/71/572706771.db2.gz RUONTNUDUQLSKG-PDGQHHTCSA-N 1 2 251.329 3.226 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1Oc1cccnc1 ZINC000744410359 572750880 /nfs/dbraw/zinc/75/08/80/572750880.db2.gz DQTNZEUOYRLOIQ-UHFFFAOYSA-N 1 2 290.366 3.332 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccccc1Oc1cccnc1 ZINC000744410359 572750884 /nfs/dbraw/zinc/75/08/84/572750884.db2.gz DQTNZEUOYRLOIQ-UHFFFAOYSA-N 1 2 290.366 3.332 20 30 CGEDLO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000744418736 572751009 /nfs/dbraw/zinc/75/10/09/572751009.db2.gz JXRTUTXKURRCPX-AWEZNQCLSA-N 1 2 280.437 3.191 20 30 CGEDLO CCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1cccs1 ZINC000744418736 572751012 /nfs/dbraw/zinc/75/10/12/572751012.db2.gz JXRTUTXKURRCPX-AWEZNQCLSA-N 1 2 280.437 3.191 20 30 CGEDLO C=CCCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000745097894 572795904 /nfs/dbraw/zinc/79/59/04/572795904.db2.gz MSNNFGKAVPDTFN-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO C=CCCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000745097894 572795909 /nfs/dbraw/zinc/79/59/09/572795909.db2.gz MSNNFGKAVPDTFN-HNNXBMFYSA-N 1 2 261.365 3.189 20 30 CGEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C(C)C ZINC000745942927 572841318 /nfs/dbraw/zinc/84/13/18/572841318.db2.gz UIZWQNGQMJPHMB-CYBMUJFWSA-N 1 2 281.400 3.200 20 30 CGEDLO C=CC[N@H+](Cc1nc([C@@H](C)OCC(C)C)no1)C(C)C ZINC000745942927 572841322 /nfs/dbraw/zinc/84/13/22/572841322.db2.gz UIZWQNGQMJPHMB-CYBMUJFWSA-N 1 2 281.400 3.200 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(O)c(F)c3)n21 ZINC000748997561 572987927 /nfs/dbraw/zinc/98/79/27/572987927.db2.gz LALBLYJNWDFMFI-VURMDHGXSA-N 1 2 296.301 3.384 20 30 CGEDLO C#CC[N@@H+](CC#CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000750052185 573076358 /nfs/dbraw/zinc/07/63/58/573076358.db2.gz VOGRIFYSDXDDNJ-UHFFFAOYSA-N 1 2 289.300 3.015 20 30 CGEDLO C#CC[N@H+](CC#CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000750052185 573076363 /nfs/dbraw/zinc/07/63/63/573076363.db2.gz VOGRIFYSDXDDNJ-UHFFFAOYSA-N 1 2 289.300 3.015 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000981841672 613373705 /nfs/dbraw/zinc/37/37/05/613373705.db2.gz OAYWPMRUYWBPCH-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000981841672 613373706 /nfs/dbraw/zinc/37/37/06/613373706.db2.gz OAYWPMRUYWBPCH-UKRRQHHQSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000981895587 613373880 /nfs/dbraw/zinc/37/38/80/613373880.db2.gz PPWKZNKGHWNXRO-GJZGRUSLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000981895587 613373881 /nfs/dbraw/zinc/37/38/81/613373881.db2.gz PPWKZNKGHWNXRO-GJZGRUSLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974585804 613380987 /nfs/dbraw/zinc/38/09/87/613380987.db2.gz KWUKDZVCQPJPPJ-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974585804 613380988 /nfs/dbraw/zinc/38/09/88/613380988.db2.gz KWUKDZVCQPJPPJ-AWEZNQCLSA-N 1 2 296.842 3.066 20 30 CGEDLO COc1cccc(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000255147862 617988969 /nfs/dbraw/zinc/98/89/69/617988969.db2.gz DUNSQONMYRTYTP-HJWRWDBZSA-N 1 2 278.311 3.239 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(F)cc2)ccc1F ZINC000049066050 618057168 /nfs/dbraw/zinc/05/71/68/618057168.db2.gz YRFRVLMNCYZXIL-UHFFFAOYSA-N 1 2 276.286 3.110 20 30 CGEDLO COc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c3ccccn13)C2 ZINC000255278946 618155502 /nfs/dbraw/zinc/15/55/02/618155502.db2.gz RDQSYSJKJXXWNH-LCYFTJDESA-N 1 2 290.322 3.165 20 30 CGEDLO Cc1cccc(C)c1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000933764831 618320881 /nfs/dbraw/zinc/32/08/81/618320881.db2.gz UBODNUHNEHYNRU-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1cccc(C)c1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000933764831 618320889 /nfs/dbraw/zinc/32/08/89/618320889.db2.gz UBODNUHNEHYNRU-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO COc1c(C)c[nH+]c(CNc2ccc(CC#N)cc2)c1C ZINC000051601614 618612555 /nfs/dbraw/zinc/61/25/55/618612555.db2.gz LUMPEHXPRDNUTH-UHFFFAOYSA-N 1 2 281.359 3.385 20 30 CGEDLO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(C#N)c1O ZINC000926747849 618859656 /nfs/dbraw/zinc/85/96/56/618859656.db2.gz PYILAJWDHHTQQW-CJNGLKHVSA-N 1 2 288.391 3.121 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000098071986 618916683 /nfs/dbraw/zinc/91/66/83/618916683.db2.gz VHCBQMQBKPYPIN-UHFFFAOYSA-N 1 2 272.392 3.423 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccns1)c1cccc(C#N)c1O ZINC000926834903 618922609 /nfs/dbraw/zinc/92/26/09/618922609.db2.gz BCYVYJGCKMYHSW-AWEZNQCLSA-N 1 2 287.388 3.004 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(CCC(C)C)n1)[C@@H]1CCCO1 ZINC000775789157 619101190 /nfs/dbraw/zinc/10/11/90/619101190.db2.gz KRPHOIHNZBRIJD-CABCVRRESA-N 1 2 292.448 3.002 20 30 CGEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000194627366 619141848 /nfs/dbraw/zinc/14/18/48/619141848.db2.gz OKYPPGKXMJNFHQ-ZDUSSCGKSA-N 1 2 279.343 3.151 20 30 CGEDLO Cc1cc(C)c(CNC(=O)[C@]2(C#N)CC3CCC2CC3)c[nH+]1 ZINC000909391784 619213348 /nfs/dbraw/zinc/21/33/48/619213348.db2.gz WZOFJNRCOLTKTN-PVARCSIZSA-N 1 2 297.402 3.035 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000879309798 619491021 /nfs/dbraw/zinc/49/10/21/619491021.db2.gz QHCGPIDXBJCROR-QWHCGFSZSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000879309798 619491025 /nfs/dbraw/zinc/49/10/25/619491025.db2.gz QHCGPIDXBJCROR-QWHCGFSZSA-N 1 2 263.772 3.168 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1ccco1)C(=O)OCC ZINC000895597104 619858321 /nfs/dbraw/zinc/85/83/21/619858321.db2.gz FLEFGWZAAPHAEH-UKRRQHHQSA-N 1 2 279.380 3.088 20 30 CGEDLO Cc1cc(N[C@H](C)CC2(C#N)CCOCC2)c[nH+]c1C ZINC000895645342 619863957 /nfs/dbraw/zinc/86/39/57/619863957.db2.gz PJVHCLIDXGFRBV-CYBMUJFWSA-N 1 2 273.380 3.209 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000895835786 619895505 /nfs/dbraw/zinc/89/55/05/619895505.db2.gz PCNBIYLYTMCRIV-UHFFFAOYSA-N 1 2 299.773 3.088 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC[C@H]2CCOC2)c(O)c1 ZINC000840710103 620107506 /nfs/dbraw/zinc/10/75/06/620107506.db2.gz OWJLVJLYRFAKJH-HNEYUBDGSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1ccccc1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000025821714 620120402 /nfs/dbraw/zinc/12/04/02/620120402.db2.gz MRIXILLETWXVEE-UHFFFAOYSA-N 1 2 274.751 3.486 20 30 CGEDLO C=CCOc1cccc(CN2CCc3c([nH+]cn3CC)C2)c1 ZINC000897336739 620211013 /nfs/dbraw/zinc/21/10/13/620211013.db2.gz NOEFIRWUFRTSHN-UHFFFAOYSA-N 1 2 297.402 3.026 20 30 CGEDLO CCc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)o1 ZINC000263633567 620358007 /nfs/dbraw/zinc/35/80/07/620358007.db2.gz KQVRVGOXCXIFDF-VURMDHGXSA-N 1 2 266.300 3.386 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925298625 620386766 /nfs/dbraw/zinc/38/67/66/620386766.db2.gz SOAZMSNSGPEEPG-ZENOOKHLSA-N 1 2 288.391 3.120 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898218579 620489329 /nfs/dbraw/zinc/48/93/29/620489329.db2.gz KMHJBPMXTSZZOV-PWSUYJOCSA-N 1 2 264.756 3.218 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCc2ccccc2C1=O ZINC000901416663 620881531 /nfs/dbraw/zinc/88/15/31/620881531.db2.gz ICBRVIWXVBASGJ-UKTHLTGXSA-N 1 2 252.317 3.116 20 30 CGEDLO COc1ccc2c(c1)CC/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901427524 620883783 /nfs/dbraw/zinc/88/37/83/620883783.db2.gz LVDJACVABRFWGZ-LCYFTJDESA-N 1 2 282.343 3.248 20 30 CGEDLO Cc1cc(C)c(C(=O)/C=C\c2c[nH+]cn2C)cc1C ZINC000901430116 620885493 /nfs/dbraw/zinc/88/54/93/620885493.db2.gz HBZFIDPGXFJQKB-WAYWQWQTSA-N 1 2 254.333 3.241 20 30 CGEDLO COc1ccc(C)cc1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901444613 620889383 /nfs/dbraw/zinc/88/93/83/620889383.db2.gz ZGJFYFGTPRKYPJ-SOFGYWHQSA-N 1 2 270.332 3.240 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\COc2ccc(C)c(C)c2C1=O ZINC000901477516 620891588 /nfs/dbraw/zinc/89/15/88/620891588.db2.gz KSRSSKABEOQEKJ-NTUHNPAUSA-N 1 2 282.343 3.179 20 30 CGEDLO Cc1ccc(O)c(C(=O)/C=C/c2c[nH+]cn2C(C)C)c1 ZINC000901482917 620893009 /nfs/dbraw/zinc/89/30/09/620893009.db2.gz MWWUBGKXFIGCBA-FNORWQNLSA-N 1 2 270.332 3.374 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)c(OC)cc1C ZINC000901488266 620898301 /nfs/dbraw/zinc/89/83/01/620898301.db2.gz CPQLYLFBJAYFCP-SREVYHEPSA-N 1 2 284.359 3.425 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cnn(C(C)(C)C)c1C ZINC000901496059 620900561 /nfs/dbraw/zinc/90/05/61/620900561.db2.gz QMTWHJYZTFAHLF-FPLPWBNLSA-N 1 2 286.379 3.059 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccccc2[C@H]1C ZINC000901505370 620904062 /nfs/dbraw/zinc/90/40/62/620904062.db2.gz APFDEPIXGFXLPO-OXFWXOROSA-N 1 2 252.317 3.286 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C\c2c[nH+]cn2C(C)C)co1 ZINC000901509208 620906653 /nfs/dbraw/zinc/90/66/53/620906653.db2.gz UZSVLFTWLSACOG-WAYWQWQTSA-N 1 2 273.336 3.472 20 30 CGEDLO CC(C)c1ccc(C=NOCc2ccc(N)[nH+]c2)cc1 ZINC000902153932 621172904 /nfs/dbraw/zinc/17/29/04/621172904.db2.gz PEQLPZMQLPQFLC-UHFFFAOYSA-N 1 2 269.348 3.338 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C)n(CC=C)c1=S ZINC000902669508 621396032 /nfs/dbraw/zinc/39/60/32/621396032.db2.gz NRGJPBBKVBNURU-UHFFFAOYSA-N 1 2 280.441 3.154 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C)n(CC=C)c1=S ZINC000902669508 621396035 /nfs/dbraw/zinc/39/60/35/621396035.db2.gz NRGJPBBKVBNURU-UHFFFAOYSA-N 1 2 280.441 3.154 20 30 CGEDLO CC[C@H]([NH2+]CCc1cccnc1C)c1cccc(C#N)c1O ZINC000903418679 621737360 /nfs/dbraw/zinc/73/73/60/621737360.db2.gz NLJTXVDQEXCVCD-KRWDZBQOSA-N 1 2 295.386 3.251 20 30 CGEDLO COc1cc(C)cc(CNc2cc(CC#N)cc[nH+]2)c1OC ZINC000905411118 622069001 /nfs/dbraw/zinc/06/90/01/622069001.db2.gz GJHGVPFZLNGBFH-UHFFFAOYSA-N 1 2 297.358 3.085 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C(=O)OC ZINC000905764777 622108452 /nfs/dbraw/zinc/10/84/52/622108452.db2.gz UAPYBUFBTIYAHP-KBMXLJTQSA-N 1 2 291.366 3.169 20 30 CGEDLO CCCCOC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058396991 622925514 /nfs/dbraw/zinc/92/55/14/622925514.db2.gz PVUQVCHTJFTHFY-UHFFFAOYSA-N 1 2 288.391 3.112 20 30 CGEDLO CCCCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058396991 622925525 /nfs/dbraw/zinc/92/55/25/622925525.db2.gz PVUQVCHTJFTHFY-UHFFFAOYSA-N 1 2 288.391 3.112 20 30 CGEDLO NC(=[NH+]OCc1ccccc1OC(F)F)c1ccccc1 ZINC000172172079 623227828 /nfs/dbraw/zinc/22/78/28/623227828.db2.gz PQXXAGYWSKZFEY-UHFFFAOYSA-N 1 2 292.285 3.125 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000151940636 623590158 /nfs/dbraw/zinc/59/01/58/623590158.db2.gz WCZAAKHLGMETCQ-UHFFFAOYSA-N 1 2 294.468 3.413 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000151940636 623590167 /nfs/dbraw/zinc/59/01/67/623590167.db2.gz WCZAAKHLGMETCQ-UHFFFAOYSA-N 1 2 294.468 3.413 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000914784031 623860404 /nfs/dbraw/zinc/86/04/04/623860404.db2.gz RQMHBSZZTQEQST-UHFFFAOYSA-N 1 2 280.441 3.131 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000914784031 623860406 /nfs/dbraw/zinc/86/04/06/623860406.db2.gz RQMHBSZZTQEQST-UHFFFAOYSA-N 1 2 280.441 3.131 20 30 CGEDLO C=CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C(C)C ZINC000917167179 624248853 /nfs/dbraw/zinc/24/88/53/624248853.db2.gz YWLZTCWWFXYIIW-UHFFFAOYSA-N 1 2 297.358 3.478 20 30 CGEDLO C=CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C(C)C ZINC000917167179 624248859 /nfs/dbraw/zinc/24/88/59/624248859.db2.gz YWLZTCWWFXYIIW-UHFFFAOYSA-N 1 2 297.358 3.478 20 30 CGEDLO C#CCC1(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000835367543 634470016 /nfs/dbraw/zinc/47/00/16/634470016.db2.gz WKKVHHGVVXYBRR-UHFFFAOYSA-N 1 2 294.354 3.034 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2ccccc2Cl)s1 ZINC000755471475 626625135 /nfs/dbraw/zinc/62/51/35/626625135.db2.gz KGAXPZYOVCPWME-UHFFFAOYSA-N 1 2 280.784 3.309 20 30 CGEDLO C=CCC(CC=C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000758449184 626844411 /nfs/dbraw/zinc/84/44/11/626844411.db2.gz OGRPCFYDHLPMSC-HNNXBMFYSA-N 1 2 289.423 3.182 20 30 CGEDLO C#CCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000759173293 626877813 /nfs/dbraw/zinc/87/78/13/626877813.db2.gz GDVXSLUBTXXGIR-UHFFFAOYSA-N 1 2 282.343 3.027 20 30 CGEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000759213016 626882072 /nfs/dbraw/zinc/88/20/72/626882072.db2.gz SZLJHXSRXNBADG-UHFFFAOYSA-N 1 2 287.338 3.346 20 30 CGEDLO COc1cccc2c1C/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000759663340 626913300 /nfs/dbraw/zinc/91/33/00/626913300.db2.gz CDVCFZMIARVPLC-FMIVXFBMSA-N 1 2 290.322 3.165 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(Cl)c1Cl)[C@H]1CCCO1 ZINC000762455290 627110621 /nfs/dbraw/zinc/11/06/21/627110621.db2.gz ROBOSVBJKSZATM-VHSXEESVSA-N 1 2 290.215 3.325 20 30 CGEDLO C#CCCOc1ccc(CNc2[nH+]cccc2OC)cc1 ZINC000763506571 627161485 /nfs/dbraw/zinc/16/14/85/627161485.db2.gz HFBPWLLXQLTAEX-UHFFFAOYSA-N 1 2 282.343 3.104 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCCc2cccs2)c1O ZINC000769549078 627565455 /nfs/dbraw/zinc/56/54/55/627565455.db2.gz NBVWCSWNQFIMPX-XNTDXEJSSA-N 1 2 261.346 3.211 20 30 CGEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C1CC1 ZINC000771640568 627724952 /nfs/dbraw/zinc/72/49/52/627724952.db2.gz HXCFWENPFSPIKG-MRXNPFEDSA-N 1 2 284.403 3.204 20 30 CGEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C1CC1 ZINC000771640568 627724954 /nfs/dbraw/zinc/72/49/54/627724954.db2.gz HXCFWENPFSPIKG-MRXNPFEDSA-N 1 2 284.403 3.204 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000777960523 628314555 /nfs/dbraw/zinc/31/45/55/628314555.db2.gz GEMHFDXDFZXRKM-AWEZNQCLSA-N 1 2 278.783 3.079 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000777960523 628314559 /nfs/dbraw/zinc/31/45/59/628314559.db2.gz GEMHFDXDFZXRKM-AWEZNQCLSA-N 1 2 278.783 3.079 20 30 CGEDLO C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1F ZINC000777965532 628317088 /nfs/dbraw/zinc/31/70/88/628317088.db2.gz ACMVDZSFBJNYSE-XJKSGUPXSA-N 1 2 298.365 3.059 20 30 CGEDLO C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1F ZINC000777965532 628317090 /nfs/dbraw/zinc/31/70/90/628317090.db2.gz ACMVDZSFBJNYSE-XJKSGUPXSA-N 1 2 298.365 3.059 20 30 CGEDLO Cc1cccn2c(/C=C3\Cc4ccccc4C3=O)c[nH+]c12 ZINC000125221476 634657587 /nfs/dbraw/zinc/65/75/87/634657587.db2.gz XUHKIMFMDJCMOD-GXDHUFHOSA-N 1 2 274.323 3.465 20 30 CGEDLO CCn1cc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000783708552 628742103 /nfs/dbraw/zinc/74/21/03/628742103.db2.gz RXAJYHQLBQIMAE-ARJAWSKDSA-N 1 2 298.371 3.046 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC(O)(CC)CC)c(O)c1 ZINC000788285873 629044520 /nfs/dbraw/zinc/04/45/20/629044520.db2.gz SPMSIYYQRBSINV-SFQUDFHCSA-N 1 2 279.380 3.151 20 30 CGEDLO Cn1cc[nH+]c1NN=C1CCc2c1ccc(Cl)c2Cl ZINC000790305187 629202459 /nfs/dbraw/zinc/20/24/59/629202459.db2.gz CVHBDMRXFCLLCP-UHFFFAOYSA-N 1 2 295.173 3.489 20 30 CGEDLO Cc1c(F)nccc1C[N@@H+](CCC#N)CCC(C)C ZINC000862239097 629328496 /nfs/dbraw/zinc/32/84/96/629328496.db2.gz VLTMEAGFXHYVIX-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1c(F)nccc1C[N@H+](CCC#N)CCC(C)C ZINC000862239097 629328499 /nfs/dbraw/zinc/32/84/99/629328499.db2.gz VLTMEAGFXHYVIX-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO C#CCCOc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000862449665 629381719 /nfs/dbraw/zinc/38/17/19/629381719.db2.gz ITNBXCMSPJIOOK-UHFFFAOYSA-N 1 2 293.366 3.310 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000862449665 629381721 /nfs/dbraw/zinc/38/17/21/629381721.db2.gz ITNBXCMSPJIOOK-UHFFFAOYSA-N 1 2 293.366 3.310 20 30 CGEDLO CC(=NNCCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000794552548 629555580 /nfs/dbraw/zinc/55/55/80/629555580.db2.gz MBMRMBGLNVSZJO-UHFFFAOYSA-N 1 2 296.296 3.138 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(C#N)cc1F ZINC000794838013 629585742 /nfs/dbraw/zinc/58/57/42/629585742.db2.gz WTVISLGTHIJNOB-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C=C(Cl)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000795189944 629640944 /nfs/dbraw/zinc/64/09/44/629640944.db2.gz SRRPBINCNXVYSY-GFCCVEGCSA-N 1 2 268.763 3.089 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000795189944 629640949 /nfs/dbraw/zinc/64/09/49/629640949.db2.gz SRRPBINCNXVYSY-GFCCVEGCSA-N 1 2 268.763 3.089 20 30 CGEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000801926197 630367620 /nfs/dbraw/zinc/36/76/20/630367620.db2.gz OVUFPGWEXLQJNE-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@@H](C#N)OCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000801926197 630367622 /nfs/dbraw/zinc/36/76/22/630367622.db2.gz OVUFPGWEXLQJNE-JTQLQIEISA-N 1 2 299.201 3.280 20 30 CGEDLO C#CCOc1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000804457906 630528929 /nfs/dbraw/zinc/52/89/29/630528929.db2.gz DMOGWSSCJMFYPR-UHFFFAOYSA-N 1 2 277.327 3.187 20 30 CGEDLO C#CCSCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806146138 630548905 /nfs/dbraw/zinc/54/89/05/630548905.db2.gz KOLRYQMFSJUUKA-ZDUSSCGKSA-N 1 2 283.824 3.453 20 30 CGEDLO C#CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809977167 630824097 /nfs/dbraw/zinc/82/40/97/630824097.db2.gz BNWHPMDLDLADBE-UHFFFAOYSA-N 1 2 299.157 3.499 20 30 CGEDLO C#CC[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809977167 630824103 /nfs/dbraw/zinc/82/41/03/630824103.db2.gz BNWHPMDLDLADBE-UHFFFAOYSA-N 1 2 299.157 3.499 20 30 CGEDLO Brc1cnn([NH+]=C2CC(c3ccccc3)C2)c1 ZINC000814884795 631664991 /nfs/dbraw/zinc/66/49/91/631664991.db2.gz ZFOYVANBOHERPN-UHFFFAOYSA-N 1 2 290.164 3.427 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cccc(C#N)c1O ZINC000866222852 633034262 /nfs/dbraw/zinc/03/42/62/633034262.db2.gz ZKZXTBVWGPCCDA-NWDGAFQWSA-N 1 2 270.332 3.139 20 30 CGEDLO CO[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866237807 633039124 /nfs/dbraw/zinc/03/91/24/633039124.db2.gz KDEUNMWNPKGFPI-SUMWQHHRSA-N 1 2 296.370 3.302 20 30 CGEDLO CCO[C@@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866278410 633062774 /nfs/dbraw/zinc/06/27/74/633062774.db2.gz ZDRBYZQBTHEEOG-BBRMVZONSA-N 1 2 290.407 3.366 20 30 CGEDLO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(C#N)c1O ZINC000866300663 633070390 /nfs/dbraw/zinc/07/03/90/633070390.db2.gz WASAPEZNKPDOBD-ZDUSSCGKSA-N 1 2 295.386 3.181 20 30 CGEDLO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866373197 633109651 /nfs/dbraw/zinc/10/96/51/633109651.db2.gz MBPSKTMMZDOYTC-QFSBIZTOSA-N 1 2 288.391 3.118 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1O ZINC000866373720 633109751 /nfs/dbraw/zinc/10/97/51/633109751.db2.gz QRCWRRWKOTVQJL-IDTSFGKNSA-N 1 2 256.349 3.103 20 30 CGEDLO C[C@H]([NH2+]C1CC2(CCC2)C1)c1cccc(C#N)c1O ZINC000866385436 633115055 /nfs/dbraw/zinc/11/50/55/633115055.db2.gz WVDXPFLGYSWLAJ-NSHDSACASA-N 1 2 256.349 3.247 20 30 CGEDLO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(C#N)c1O ZINC000866482250 633154707 /nfs/dbraw/zinc/15/47/07/633154707.db2.gz ZINGAAZONOOSGU-AAEUAGOBSA-N 1 2 276.405 3.200 20 30 CGEDLO C=C(C)CON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000844618933 635942801 /nfs/dbraw/zinc/94/28/01/635942801.db2.gz OEMMLVXFNDIAAT-UHFFFAOYSA-N 1 2 257.337 3.384 20 30 CGEDLO CN(C)c1ccc(C[NH+]2CC(CC#N)C2)c(C(F)(F)F)c1 ZINC000826986052 633446618 /nfs/dbraw/zinc/44/66/18/633446618.db2.gz PLVIGLJXDYKXLL-UHFFFAOYSA-N 1 2 297.324 3.117 20 30 CGEDLO CCN(CC)c1ccc(C[NH+]2CC(CC#N)C2)cc1F ZINC000826990321 633447417 /nfs/dbraw/zinc/44/74/17/633447417.db2.gz FAZVFINRSHAFBP-UHFFFAOYSA-N 1 2 275.371 3.017 20 30 CGEDLO C=CC(C)(C)C(=O)OCCOCCCc1cccc(C)[nH+]1 ZINC000835158277 634376534 /nfs/dbraw/zinc/37/65/34/634376534.db2.gz JUELRNIVXSKYIU-UHFFFAOYSA-N 1 2 291.391 3.095 20 30 CGEDLO N#Cc1cccc(CNc2ccc([NH+]3CCCC3)cc2)n1 ZINC000876820139 634905848 /nfs/dbraw/zinc/90/58/48/634905848.db2.gz KPKHQUIBLXISIJ-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000876838352 634912625 /nfs/dbraw/zinc/91/26/25/634912625.db2.gz PJFHUVXIFRCRQH-CQSZACIVSA-N 1 2 287.407 3.263 20 30 CGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc([NH+](C)C)cc1 ZINC000876838352 634912627 /nfs/dbraw/zinc/91/26/27/634912627.db2.gz PJFHUVXIFRCRQH-CQSZACIVSA-N 1 2 287.407 3.263 20 30 CGEDLO Cc1cc(O)c(C[N@@H+](C)CC(C)(C)C#N)c(Cl)c1 ZINC000840950260 635090390 /nfs/dbraw/zinc/09/03/90/635090390.db2.gz LSEGTDQAVSFKKA-UHFFFAOYSA-N 1 2 266.772 3.336 20 30 CGEDLO Cc1cc(O)c(C[N@H+](C)CC(C)(C)C#N)c(Cl)c1 ZINC000840950260 635090394 /nfs/dbraw/zinc/09/03/94/635090394.db2.gz LSEGTDQAVSFKKA-UHFFFAOYSA-N 1 2 266.772 3.336 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000877578920 635100296 /nfs/dbraw/zinc/10/02/96/635100296.db2.gz QWJSUYBTUGMYLZ-UHFFFAOYSA-N 1 2 297.789 3.281 20 30 CGEDLO COc1cnc(F)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000877598321 635106681 /nfs/dbraw/zinc/10/66/81/635106681.db2.gz DWEZIVONKFSXFN-LBPRGKRZSA-N 1 2 299.349 3.294 20 30 CGEDLO COc1cnc(F)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000877598321 635106683 /nfs/dbraw/zinc/10/66/83/635106683.db2.gz DWEZIVONKFSXFN-LBPRGKRZSA-N 1 2 299.349 3.294 20 30 CGEDLO COc1c(C)cnc(C[NH2+]CC2(C#N)CCCCC2)c1C ZINC000877633702 635123687 /nfs/dbraw/zinc/12/36/87/635123687.db2.gz QYPZVOSRKKKUOR-UHFFFAOYSA-N 1 2 287.407 3.271 20 30 CGEDLO COc1c(C)c[nH+]c(CNCC2(C#N)CCCCC2)c1C ZINC000877633702 635123689 /nfs/dbraw/zinc/12/36/89/635123689.db2.gz QYPZVOSRKKKUOR-UHFFFAOYSA-N 1 2 287.407 3.271 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H](C(F)(F)F)O1 ZINC000877824222 635229426 /nfs/dbraw/zinc/22/94/26/635229426.db2.gz PWWXNAKGAOITFK-BXUZGUMPSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H](C(F)(F)F)O1 ZINC000877824222 635229441 /nfs/dbraw/zinc/22/94/41/635229441.db2.gz PWWXNAKGAOITFK-BXUZGUMPSA-N 1 2 298.308 3.100 20 30 CGEDLO COc1ccc([C@H]2COCC[N@@H+]2CCC(C)(C)C#N)cc1 ZINC000879738108 635847745 /nfs/dbraw/zinc/84/77/45/635847745.db2.gz NJBNWXWIKMJMLO-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccc([C@H]2COCC[N@H+]2CCC(C)(C)C#N)cc1 ZINC000879738108 635847748 /nfs/dbraw/zinc/84/77/48/635847748.db2.gz NJBNWXWIKMJMLO-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO CCCCCCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000844464712 635910194 /nfs/dbraw/zinc/91/01/94/635910194.db2.gz OBIQVCWYXQSUAH-INIZCTEOSA-N 1 2 279.428 3.154 20 30 CGEDLO CCCCCCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000844464712 635910199 /nfs/dbraw/zinc/91/01/99/635910199.db2.gz OBIQVCWYXQSUAH-INIZCTEOSA-N 1 2 279.428 3.154 20 30 CGEDLO C[N@H+](CCC#N)Cc1cc(Cl)nc2ccccc12 ZINC000128856187 636084790 /nfs/dbraw/zinc/08/47/90/636084790.db2.gz XUWICDSIPIPLTJ-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cc(Cl)nc2ccccc12 ZINC000128856187 636084791 /nfs/dbraw/zinc/08/47/91/636084791.db2.gz XUWICDSIPIPLTJ-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO Cc1ccncc1CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000846116759 636146535 /nfs/dbraw/zinc/14/65/35/636146535.db2.gz HMJAOKPEMLGCDS-UHFFFAOYSA-N 1 2 277.371 3.210 20 30 CGEDLO Cc1ccncc1CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000846116759 636146536 /nfs/dbraw/zinc/14/65/36/636146536.db2.gz HMJAOKPEMLGCDS-UHFFFAOYSA-N 1 2 277.371 3.210 20 30 CGEDLO NC(=[NH+]OCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000025214593 636323572 /nfs/dbraw/zinc/32/35/72/636323572.db2.gz RYHHXZIXEQHZED-UHFFFAOYSA-N 1 2 293.326 3.179 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1oc2ccccc2c1C ZINC000848417463 636572550 /nfs/dbraw/zinc/57/25/50/636572550.db2.gz AKLDIQQVMVAYDS-UHFFFAOYSA-N 1 2 296.374 3.342 20 30 CGEDLO CC(C)[C@@H]1CCC(N=NCCCn2cc[nH+]c2)C[C@@H]1C ZINC000848419198 636573006 /nfs/dbraw/zinc/57/30/06/636573006.db2.gz VSZKSJKGAXFCGU-HOCLYGCPSA-N 1 2 276.428 3.311 20 30 CGEDLO C=CCC[C@@H](Nc1cc(COC)cc[nH+]1)[C@H]1CCCO1 ZINC000883233716 636603671 /nfs/dbraw/zinc/60/36/71/636603671.db2.gz OEEHGKFQNKBIJN-HUUCEWRRSA-N 1 2 276.380 3.154 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(C#N)c1O ZINC000883358903 636701865 /nfs/dbraw/zinc/70/18/65/636701865.db2.gz SZFVBVBNJGVDQM-OCCSQVGLSA-N 1 2 286.375 3.016 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCC2(CSC)CC2)c1 ZINC000849170963 636763388 /nfs/dbraw/zinc/76/33/88/636763388.db2.gz XQEHRXBCLWVORK-YBEGLDIGSA-N 1 2 279.405 3.353 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1ccccc1 ZINC000853084882 637752466 /nfs/dbraw/zinc/75/24/66/637752466.db2.gz AZBPHZXAQUMVAW-INIZCTEOSA-N 1 2 296.370 3.019 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccccc1 ZINC000853084883 637752640 /nfs/dbraw/zinc/75/26/40/637752640.db2.gz AZBPHZXAQUMVAW-MRXNPFEDSA-N 1 2 296.370 3.019 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCC[C@@H]1OC ZINC000853468933 637850404 /nfs/dbraw/zinc/85/04/04/637850404.db2.gz AWGRKMIKAPMHIE-CABCVRRESA-N 1 2 288.391 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CS[C@H](C)C1 ZINC000853690606 637893397 /nfs/dbraw/zinc/89/33/97/637893397.db2.gz SUVHGWYVTLCHAO-OLZOCXBDSA-N 1 2 276.405 3.180 20 30 CGEDLO CC[C@H]([NH2+]CC[C@@H](C)F)c1cccc(C#N)c1O ZINC000926484790 638776009 /nfs/dbraw/zinc/77/60/09/638776009.db2.gz DWTPUIFNDCRMLR-MFKMUULPSA-N 1 2 250.317 3.053 20 30 CGEDLO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000926545916 638783840 /nfs/dbraw/zinc/78/38/40/638783840.db2.gz YFPZXGQEOULNQV-CZUORRHYSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@@H]([NH2+]CCC1(COC)CC1)c1cccc(C#N)c1O ZINC000926630468 638792102 /nfs/dbraw/zinc/79/21/02/638792102.db2.gz WLRVGOINBJBHFF-OAHLLOKOSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(C#N)c1O ZINC000926747848 638806674 /nfs/dbraw/zinc/80/66/74/638806674.db2.gz PYILAJWDHHTQQW-BBRMVZONSA-N 1 2 288.391 3.121 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000929849387 638956879 /nfs/dbraw/zinc/95/68/79/638956879.db2.gz XTYOEVGEMFTPJP-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000929849387 638956881 /nfs/dbraw/zinc/95/68/81/638956881.db2.gz XTYOEVGEMFTPJP-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO C=C(Br)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000859411835 639137282 /nfs/dbraw/zinc/13/72/82/639137282.db2.gz NSXUUTSDZDHSNU-YUMQZZPRSA-N 1 2 268.145 3.118 20 30 CGEDLO C=C(C)C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931387452 639143648 /nfs/dbraw/zinc/14/36/48/639143648.db2.gz GZFIXUHBXRVBFZ-MRXNPFEDSA-N 1 2 271.339 3.072 20 30 CGEDLO C=C(C)C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931387452 639143651 /nfs/dbraw/zinc/14/36/51/639143651.db2.gz GZFIXUHBXRVBFZ-MRXNPFEDSA-N 1 2 271.339 3.072 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000933625190 639470804 /nfs/dbraw/zinc/47/08/04/639470804.db2.gz NVQVOOINYWCIPZ-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000933625190 639470809 /nfs/dbraw/zinc/47/08/09/639470809.db2.gz NVQVOOINYWCIPZ-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000934466824 639613863 /nfs/dbraw/zinc/61/38/63/639613863.db2.gz NOGNGZSOUIUIFG-NSHDSACASA-N 1 2 282.746 3.068 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000934466824 639613867 /nfs/dbraw/zinc/61/38/67/639613867.db2.gz NOGNGZSOUIUIFG-NSHDSACASA-N 1 2 282.746 3.068 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934515860 639624916 /nfs/dbraw/zinc/62/49/16/639624916.db2.gz ZFPRUTNISBKFEK-INIZCTEOSA-N 1 2 293.370 3.257 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934515860 639624921 /nfs/dbraw/zinc/62/49/21/639624921.db2.gz ZFPRUTNISBKFEK-INIZCTEOSA-N 1 2 293.370 3.257 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1ncn(C(C)(C)C)c1=S ZINC000076665090 640208532 /nfs/dbraw/zinc/20/85/32/640208532.db2.gz QLQOMKPNCWIKIS-UHFFFAOYSA-N 1 2 268.430 3.025 20 30 CGEDLO C=CCCC[N@H+](C)Cn1ncn(C(C)(C)C)c1=S ZINC000076665090 640208537 /nfs/dbraw/zinc/20/85/37/640208537.db2.gz QLQOMKPNCWIKIS-UHFFFAOYSA-N 1 2 268.430 3.025 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@H](COC)Cc1ccccc1 ZINC000191491498 640315907 /nfs/dbraw/zinc/31/59/07/640315907.db2.gz VGVRWAYBVZNKJT-AWEZNQCLSA-N 1 2 298.224 3.085 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@H](COC)Cc1ccccc1 ZINC000191491498 640315915 /nfs/dbraw/zinc/31/59/15/640315915.db2.gz VGVRWAYBVZNKJT-AWEZNQCLSA-N 1 2 298.224 3.085 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccccc2OCC#N)c(C)[nH+]1 ZINC000194147256 640516186 /nfs/dbraw/zinc/51/61/86/640516186.db2.gz IOQQLSOHMHPGBU-UHFFFAOYSA-N 1 2 295.342 3.162 20 30 CGEDLO C=Cc1ccc(C(=O)N(CC)C2C[NH+](CC(=C)C)C2)cc1 ZINC000952319488 640575429 /nfs/dbraw/zinc/57/54/29/640575429.db2.gz QWWQDTCLQZWZBP-UHFFFAOYSA-N 1 2 284.403 3.052 20 30 CGEDLO Fc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000253677899 640897796 /nfs/dbraw/zinc/89/77/96/640897796.db2.gz HGWXYWKZPGGNOT-UHFFFAOYSA-N 1 2 265.291 3.242 20 30 CGEDLO C=C(C)CNc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001155654830 805600224 /nfs/dbraw/zinc/60/02/24/805600224.db2.gz AXFVYCQKJRWSNK-UHFFFAOYSA-N 1 2 256.305 3.009 20 30 CGEDLO Cc1cc(NCc2ccccc2C#N)nc(C(C)C)[nH+]1 ZINC001156786558 805735389 /nfs/dbraw/zinc/73/53/89/805735389.db2.gz GEQYQVSEZVPDAY-UHFFFAOYSA-N 1 2 266.348 3.392 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3Cc4ncsc4C3)c2c1 ZINC001156822327 805738126 /nfs/dbraw/zinc/73/81/26/805738126.db2.gz CSOFDIHXZAJKLS-UHFFFAOYSA-N 1 2 278.340 3.083 20 30 CGEDLO CO[C@@H]1CCN(c2[nH+]ccc3ccc(C#N)cc32)[C@H](C)C1 ZINC001158896340 806018674 /nfs/dbraw/zinc/01/86/74/806018674.db2.gz AIDJNDIOBKANRD-IUODEOHRSA-N 1 2 281.359 3.110 20 30 CGEDLO Cc1cc(NCC#Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC001159375969 806091041 /nfs/dbraw/zinc/09/10/41/806091041.db2.gz PSCLNCAEEWUHOI-UHFFFAOYSA-N 1 2 263.344 3.126 20 30 CGEDLO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncon1 ZINC001252979918 806145295 /nfs/dbraw/zinc/14/52/95/806145295.db2.gz PHZREEJYQTYGPT-CQSZACIVSA-N 1 2 283.416 3.051 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC001253234404 806189051 /nfs/dbraw/zinc/18/90/51/806189051.db2.gz ARFSGHGKNOTCSN-HNNXBMFYSA-N 1 2 299.455 3.147 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@H+](C)CC(=O)OC(C)(C)C ZINC001253234404 806189058 /nfs/dbraw/zinc/18/90/58/806189058.db2.gz ARFSGHGKNOTCSN-HNNXBMFYSA-N 1 2 299.455 3.147 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+]Cc1noc(C(C)C)n1 ZINC001253247193 806193570 /nfs/dbraw/zinc/19/35/70/806193570.db2.gz GWRVIZUZJHNNPL-CQSZACIVSA-N 1 2 295.427 3.170 20 30 CGEDLO CC(C)n1cncc1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001161565669 806392848 /nfs/dbraw/zinc/39/28/48/806392848.db2.gz PGHWJURFSSOILW-UHFFFAOYSA-N 1 2 291.358 3.496 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC001161814802 806461961 /nfs/dbraw/zinc/46/19/61/806461961.db2.gz KLGSIMWHQPRUKF-MRXNPFEDSA-N 1 2 282.322 3.245 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001255165644 806562885 /nfs/dbraw/zinc/56/28/85/806562885.db2.gz ZNLGFGSNRSJGIP-YPMHNXCESA-N 1 2 264.756 3.445 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001255164436 806563760 /nfs/dbraw/zinc/56/37/60/806563760.db2.gz KBFZZMZZWXFRIT-MRXNPFEDSA-N 1 2 270.376 3.274 20 30 CGEDLO CC(C)C[C@@](C)(C#N)Nc1cc(-n2cc[nH+]c2)ccn1 ZINC001162519237 806606564 /nfs/dbraw/zinc/60/65/64/806606564.db2.gz CJZNEIKXGQXZJR-HNNXBMFYSA-N 1 2 269.352 3.008 20 30 CGEDLO C=CCc1c(Cl)ncnc1NC(=[NH2+])C(C)(C)C ZINC001162657938 806642148 /nfs/dbraw/zinc/64/21/48/806642148.db2.gz WOXSTRTWUAQVMG-UHFFFAOYSA-N 1 2 252.749 3.294 20 30 CGEDLO C=CC[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccccc1 ZINC001162902862 806682045 /nfs/dbraw/zinc/68/20/45/806682045.db2.gz SMALTNWRAHYBBZ-CQSZACIVSA-N 1 2 268.364 3.272 20 30 CGEDLO C=CC[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccccc1 ZINC001162902862 806682047 /nfs/dbraw/zinc/68/20/47/806682047.db2.gz SMALTNWRAHYBBZ-CQSZACIVSA-N 1 2 268.364 3.272 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NCc1ccc(C#N)cc1F ZINC000169020761 799086784 /nfs/dbraw/zinc/08/67/84/799086784.db2.gz UOYYFRDYHGETHM-UHFFFAOYSA-N 1 2 285.322 3.492 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255848048 806766870 /nfs/dbraw/zinc/76/68/70/806766870.db2.gz VUGXYLRRDZOSOP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255848048 806766875 /nfs/dbraw/zinc/76/68/75/806766875.db2.gz VUGXYLRRDZOSOP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255848048 806766878 /nfs/dbraw/zinc/76/68/78/806766878.db2.gz VUGXYLRRDZOSOP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255848048 806766881 /nfs/dbraw/zinc/76/68/81/806766881.db2.gz VUGXYLRRDZOSOP-XHDPSFHLSA-N 1 2 291.391 3.031 20 30 CGEDLO Cc1nc(C[NH2+]Cc2cc(C#N)ccc2F)sc1C ZINC000719532435 800240532 /nfs/dbraw/zinc/24/05/32/800240532.db2.gz BZJHGQDGYNJHCJ-UHFFFAOYSA-N 1 2 275.352 3.061 20 30 CGEDLO C[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1Cl ZINC000721560761 800294545 /nfs/dbraw/zinc/29/45/45/800294545.db2.gz XXCMPVRWVPIXME-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1Cl ZINC000721560761 800294550 /nfs/dbraw/zinc/29/45/50/800294550.db2.gz XXCMPVRWVPIXME-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO N#Cc1ccccc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000723739122 800337602 /nfs/dbraw/zinc/33/76/02/800337602.db2.gz LZXVKVQNCPDITH-UHFFFAOYSA-N 1 2 252.317 3.316 20 30 CGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000723739122 800337609 /nfs/dbraw/zinc/33/76/09/800337609.db2.gz LZXVKVQNCPDITH-UHFFFAOYSA-N 1 2 252.317 3.316 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809549044 800444980 /nfs/dbraw/zinc/44/49/80/800444980.db2.gz LWNQAAZHHONOFJ-ZDUSSCGKSA-N 1 2 297.443 3.113 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809549044 800444984 /nfs/dbraw/zinc/44/49/84/800444984.db2.gz LWNQAAZHHONOFJ-ZDUSSCGKSA-N 1 2 297.443 3.113 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307044 806858196 /nfs/dbraw/zinc/85/81/96/806858196.db2.gz GCPDUNYAYOYFPP-INIZCTEOSA-N 1 2 289.810 3.297 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307044 806858203 /nfs/dbraw/zinc/85/82/03/806858203.db2.gz GCPDUNYAYOYFPP-INIZCTEOSA-N 1 2 289.810 3.297 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027812002 800820663 /nfs/dbraw/zinc/82/06/63/800820663.db2.gz QVNYAMZPDOARDN-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027812002 800820668 /nfs/dbraw/zinc/82/06/68/800820668.db2.gz QVNYAMZPDOARDN-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001027873663 800822845 /nfs/dbraw/zinc/82/28/45/800822845.db2.gz HVFJSJPTAQWLJW-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001027873663 800822851 /nfs/dbraw/zinc/82/28/51/800822851.db2.gz HVFJSJPTAQWLJW-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001032089184 800918166 /nfs/dbraw/zinc/91/81/66/800918166.db2.gz IOROVLGMPKFAPQ-HUUCEWRRSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108810 800953406 /nfs/dbraw/zinc/95/34/06/800953406.db2.gz UVCILFCRAFKAEZ-GOEBONIOSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108810 800953411 /nfs/dbraw/zinc/95/34/11/800953411.db2.gz UVCILFCRAFKAEZ-GOEBONIOSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574008 800968112 /nfs/dbraw/zinc/96/81/12/800968112.db2.gz LFFRXGDDQTXNDJ-UKRRQHHQSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574008 800968121 /nfs/dbraw/zinc/96/81/21/800968121.db2.gz LFFRXGDDQTXNDJ-UKRRQHHQSA-N 1 2 298.858 3.098 20 30 CGEDLO C#C[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CCC2)n1 ZINC001164326241 806931646 /nfs/dbraw/zinc/93/16/46/806931646.db2.gz XLKCVISBCOMBFN-CQSZACIVSA-N 1 2 255.365 3.045 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095115220 801879295 /nfs/dbraw/zinc/87/92/95/801879295.db2.gz LEGANDPKRVQLBM-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095115220 801879300 /nfs/dbraw/zinc/87/93/00/801879300.db2.gz LEGANDPKRVQLBM-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110931942 802149740 /nfs/dbraw/zinc/14/97/40/802149740.db2.gz CHXFXIDXSIBVIW-NGFQHRJXSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110931942 802149748 /nfs/dbraw/zinc/14/97/48/802149748.db2.gz CHXFXIDXSIBVIW-NGFQHRJXSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110934382 802151186 /nfs/dbraw/zinc/15/11/86/802151186.db2.gz BGMIAAMPPHHAPI-TUVASFSCSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110934382 802151189 /nfs/dbraw/zinc/15/11/89/802151189.db2.gz BGMIAAMPPHHAPI-TUVASFSCSA-N 1 2 296.842 3.063 20 30 CGEDLO CC(Cc1ccc(C)cc1)=[NH+]n1cc(Br)cn1 ZINC001116363856 802336995 /nfs/dbraw/zinc/33/69/95/802336995.db2.gz UXWQFDHJAHHMAF-UHFFFAOYSA-N 1 2 292.180 3.421 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116919745 802429205 /nfs/dbraw/zinc/42/92/05/802429205.db2.gz REYIWKHCANLDSE-ZDUSSCGKSA-N 1 2 269.348 3.201 20 30 CGEDLO CCc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)o1 ZINC001117392168 802464701 /nfs/dbraw/zinc/46/47/01/802464701.db2.gz OPVIUXHGYQBOAN-CLFYSBASSA-N 1 2 270.332 3.199 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001125339993 803057999 /nfs/dbraw/zinc/05/79/99/803057999.db2.gz UQKYAKWNNIFHQH-OAHLLOKOSA-N 1 2 297.402 3.150 20 30 CGEDLO Cc1cc(-c2cc[nH+]c(N3CCOCC3)c2)cc(C)c1C#N ZINC001243902209 803068161 /nfs/dbraw/zinc/06/81/61/803068161.db2.gz OMFFVZRBDBDULK-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132305338 803393675 /nfs/dbraw/zinc/39/36/75/803393675.db2.gz OOTRAQATQYINGR-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132305338 803393678 /nfs/dbraw/zinc/39/36/78/803393678.db2.gz OOTRAQATQYINGR-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO N#Cc1c[nH]c2ncc(-c3c[nH+]cn3Cc3ccccc3)cc12 ZINC001245197100 803661165 /nfs/dbraw/zinc/66/11/65/803661165.db2.gz LMZYAFAXXPBNCO-UHFFFAOYSA-N 1 2 299.337 3.346 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137060141 803678300 /nfs/dbraw/zinc/67/83/00/803678300.db2.gz KFDUSIOLXFSCLL-OAHLLOKOSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137060141 803678301 /nfs/dbraw/zinc/67/83/01/803678301.db2.gz KFDUSIOLXFSCLL-OAHLLOKOSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137060140 803678562 /nfs/dbraw/zinc/67/85/62/803678562.db2.gz KFDUSIOLXFSCLL-HNNXBMFYSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137060140 803678566 /nfs/dbraw/zinc/67/85/66/803678566.db2.gz KFDUSIOLXFSCLL-HNNXBMFYSA-N 1 2 257.312 3.043 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(OC)c(OC)c1 ZINC001137506366 803737611 /nfs/dbraw/zinc/73/76/11/803737611.db2.gz RYAQMBWNJBDZBD-UHFFFAOYSA-N 1 2 294.370 3.359 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(OC)c(OC)c1 ZINC001137506366 803737613 /nfs/dbraw/zinc/73/76/13/803737613.db2.gz RYAQMBWNJBDZBD-UHFFFAOYSA-N 1 2 294.370 3.359 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccccc2OC)c(C#N)c1 ZINC001137703043 803760772 /nfs/dbraw/zinc/76/07/72/803760772.db2.gz AYLXAASVBLTVFF-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccccc2OC)c(C#N)c1 ZINC001137703043 803760773 /nfs/dbraw/zinc/76/07/73/803760773.db2.gz AYLXAASVBLTVFF-UHFFFAOYSA-N 1 2 296.370 3.207 20 30 CGEDLO N#CCC[N@@H+](Cc1c(O)cccc1F)C1CCCC1 ZINC001137837626 803780640 /nfs/dbraw/zinc/78/06/40/803780640.db2.gz OFBNZCVLBYOSQT-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO N#CCC[N@H+](Cc1c(O)cccc1F)C1CCCC1 ZINC001137837626 803780644 /nfs/dbraw/zinc/78/06/44/803780644.db2.gz OFBNZCVLBYOSQT-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO Cc1ccc(F)c(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC001138119544 803860646 /nfs/dbraw/zinc/86/06/46/803860646.db2.gz HYSWQOXPYFFZHA-UHFFFAOYSA-N 1 2 264.319 3.399 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(F)c1O)C1CCCC1 ZINC001138127632 803864489 /nfs/dbraw/zinc/86/44/89/803864489.db2.gz IOPBJBBDJVXBLB-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(F)c1O)C1CCCC1 ZINC001138127632 803864499 /nfs/dbraw/zinc/86/44/99/803864499.db2.gz IOPBJBBDJVXBLB-UHFFFAOYSA-N 1 2 262.328 3.190 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C1CC1)C1COC1 ZINC001138665817 803996503 /nfs/dbraw/zinc/99/65/03/803996503.db2.gz XAQWZIMYNWVRST-UHFFFAOYSA-N 1 2 273.376 3.005 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C1CC1)C1COC1 ZINC001138665817 803996511 /nfs/dbraw/zinc/99/65/11/803996511.db2.gz XAQWZIMYNWVRST-UHFFFAOYSA-N 1 2 273.376 3.005 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)o1 ZINC001138906371 804068259 /nfs/dbraw/zinc/06/82/59/804068259.db2.gz MLMNGQWJOZCNLT-RTCCRHLQSA-N 1 2 295.180 3.309 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)o1 ZINC001138906371 804068266 /nfs/dbraw/zinc/06/82/66/804068266.db2.gz MLMNGQWJOZCNLT-RTCCRHLQSA-N 1 2 295.180 3.309 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001138970805 804095795 /nfs/dbraw/zinc/09/57/95/804095795.db2.gz XXZHBMHNBUZUDR-OAHLLOKOSA-N 1 2 258.365 3.067 20 30 CGEDLO CC(C)COc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001138970805 804095807 /nfs/dbraw/zinc/09/58/07/804095807.db2.gz XXZHBMHNBUZUDR-OAHLLOKOSA-N 1 2 258.365 3.067 20 30 CGEDLO COc1c(Cl)cccc1C[NH+]1CCC(C#N)CC1 ZINC001140056459 804362451 /nfs/dbraw/zinc/36/24/51/804362451.db2.gz XUUIMHTUKIRQIB-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO C=CC[N@@H+](C)Cc1cnc(Br)cc1Cl ZINC001140079295 804371022 /nfs/dbraw/zinc/37/10/22/804371022.db2.gz XSPRYAIWKUQPLH-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C=CC[N@H+](C)Cc1cnc(Br)cc1Cl ZINC001140079295 804371030 /nfs/dbraw/zinc/37/10/30/804371030.db2.gz XSPRYAIWKUQPLH-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO Cc1ncccc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001140140104 804387097 /nfs/dbraw/zinc/38/70/97/804387097.db2.gz TTXDBTGQWIUAOC-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ncccc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC001140140104 804387106 /nfs/dbraw/zinc/38/71/06/804387106.db2.gz TTXDBTGQWIUAOC-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO CSc1nc(C[N@H+](C)Cc2cccnc2C)ccc1C#N ZINC001141945864 804681620 /nfs/dbraw/zinc/68/16/20/804681620.db2.gz PMDRQMFSAOIFHY-UHFFFAOYSA-N 1 2 298.415 3.011 20 30 CGEDLO CSc1nc(C[N@@H+](C)Cc2cccnc2C)ccc1C#N ZINC001141945864 804681625 /nfs/dbraw/zinc/68/16/25/804681625.db2.gz PMDRQMFSAOIFHY-UHFFFAOYSA-N 1 2 298.415 3.011 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143575496 804867631 /nfs/dbraw/zinc/86/76/31/804867631.db2.gz AVVBHWAFVDOTAP-GFCCVEGCSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)cc(OCC)cc2F)C1 ZINC001143575496 804867639 /nfs/dbraw/zinc/86/76/39/804867639.db2.gz AVVBHWAFVDOTAP-GFCCVEGCSA-N 1 2 279.330 3.209 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627294 804879770 /nfs/dbraw/zinc/87/97/70/804879770.db2.gz JEMKMVHOWXQAMS-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2F)C1 ZINC001143627294 804879775 /nfs/dbraw/zinc/87/97/75/804879775.db2.gz JEMKMVHOWXQAMS-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001143719319 804887352 /nfs/dbraw/zinc/88/73/52/804887352.db2.gz VVVQXSQFCNQYGB-LRDDRELGSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001143719319 804887359 /nfs/dbraw/zinc/88/73/59/804887359.db2.gz VVVQXSQFCNQYGB-LRDDRELGSA-N 1 2 290.794 3.213 20 30 CGEDLO CC(C)Sc1nccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC001248833159 805012474 /nfs/dbraw/zinc/01/24/74/805012474.db2.gz SUZKJQZADGGCSR-UHFFFAOYSA-N 1 2 290.436 3.103 20 30 CGEDLO N#Cc1ccc2cc(C[N@@H+]3CCc4ncsc4C3)[nH]c2c1 ZINC001249429500 805146221 /nfs/dbraw/zinc/14/62/21/805146221.db2.gz DRKVXQPITIQABD-UHFFFAOYSA-N 1 2 294.383 3.054 20 30 CGEDLO N#Cc1ccc2cc(C[N@H+]3CCc4ncsc4C3)[nH]c2c1 ZINC001249429500 805146227 /nfs/dbraw/zinc/14/62/27/805146227.db2.gz DRKVXQPITIQABD-UHFFFAOYSA-N 1 2 294.383 3.054 20 30 CGEDLO CCOc1cc(Nc2ccccc2OCC#N)cc(C)[nH+]1 ZINC001212598161 815082202 /nfs/dbraw/zinc/08/22/02/815082202.db2.gz GOGSFKMTMNGNCG-UHFFFAOYSA-N 1 2 283.331 3.435 20 30 CGEDLO CC(C)(C)C(=[NH2+])Nc1ncc(CC#N)cc1Cl ZINC001155181225 805553127 /nfs/dbraw/zinc/55/31/27/805553127.db2.gz BVCCPHFMQWBKCL-UHFFFAOYSA-N 1 2 250.733 3.236 20 30 CGEDLO CCCC[C@H](CC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257418469 807146235 /nfs/dbraw/zinc/14/62/35/807146235.db2.gz DKMIPSBJGNMVDG-STQMWFEESA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC[C@H](CC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257418469 807146234 /nfs/dbraw/zinc/14/62/34/807146234.db2.gz DKMIPSBJGNMVDG-STQMWFEESA-N 1 2 253.411 3.229 20 30 CGEDLO CC1(C#N)C[NH+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257829915 807224152 /nfs/dbraw/zinc/22/41/52/807224152.db2.gz PNSGLMAZJNIKDY-UHFFFAOYSA-N 1 2 284.403 3.360 20 30 CGEDLO CCCCCCC[C@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001258044547 807274574 /nfs/dbraw/zinc/27/45/74/807274574.db2.gz QHIQMQOMJMCZOA-MJBXVCDLSA-N 1 2 273.392 3.321 20 30 CGEDLO CCCCCCC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001258044547 807274578 /nfs/dbraw/zinc/27/45/78/807274578.db2.gz QHIQMQOMJMCZOA-MJBXVCDLSA-N 1 2 273.392 3.321 20 30 CGEDLO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258088266 807299895 /nfs/dbraw/zinc/29/98/95/807299895.db2.gz KRVGZRQGXGVOFM-JSGCOSHPSA-N 1 2 265.422 3.395 20 30 CGEDLO CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258088266 807299901 /nfs/dbraw/zinc/29/99/01/807299901.db2.gz KRVGZRQGXGVOFM-JSGCOSHPSA-N 1 2 265.422 3.395 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(NCCCCC#N)c1 ZINC001168434032 807413680 /nfs/dbraw/zinc/41/36/80/807413680.db2.gz NFVZKDKUJSNZCI-UHFFFAOYSA-N 1 2 254.337 3.193 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCCCCc3ccccn3)c2)CC1 ZINC001168794734 807515039 /nfs/dbraw/zinc/51/50/39/807515039.db2.gz CZLLHYRRVXVHSW-UHFFFAOYSA-N 1 2 292.386 3.467 20 30 CGEDLO C=CCC[C@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001258734308 807580326 /nfs/dbraw/zinc/58/03/26/807580326.db2.gz WMPKPABYNIQPTG-UWVGGRQHSA-N 1 2 288.317 3.028 20 30 CGEDLO C=CCC[C@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001258734308 807580331 /nfs/dbraw/zinc/58/03/31/807580331.db2.gz WMPKPABYNIQPTG-UWVGGRQHSA-N 1 2 288.317 3.028 20 30 CGEDLO Cc1nc(C#N)c(Nc2cccc3[nH+]c(C)ccc23)o1 ZINC001212796428 815141968 /nfs/dbraw/zinc/14/19/68/815141968.db2.gz ZHXXVDDDKZPPIM-UHFFFAOYSA-N 1 2 264.288 3.455 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(NCC(C)(C)S)c1 ZINC001170307314 807824717 /nfs/dbraw/zinc/82/47/17/807824717.db2.gz URKTVBJWZOVQTQ-UHFFFAOYSA-N 1 2 261.394 3.207 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1cccc2ccnn21 ZINC001170700713 807878061 /nfs/dbraw/zinc/87/80/61/807878061.db2.gz JQQVRXYATSBSKU-UHFFFAOYSA-N 1 2 278.359 3.378 20 30 CGEDLO FC(F)(F)C1(c2ccc(NCCCS)[nH+]c2)CC1 ZINC001171003448 807957868 /nfs/dbraw/zinc/95/78/68/807957868.db2.gz BDLNOIDYZOEPPB-UHFFFAOYSA-N 1 2 276.327 3.407 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@H](C)c1ncc(F)cn1 ZINC001171112680 807986270 /nfs/dbraw/zinc/98/62/70/807986270.db2.gz QJZDRZBPANEBCQ-LLVKDONJSA-N 1 2 272.327 3.221 20 30 CGEDLO Cc1cc(C)c(NC(=O)Cc2ccccc2CC#N)c(C)[nH+]1 ZINC001264804437 808094773 /nfs/dbraw/zinc/09/47/73/808094773.db2.gz GBFVXDTZJDMFIA-UHFFFAOYSA-N 1 2 293.370 3.254 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001171567904 808098356 /nfs/dbraw/zinc/09/83/56/808098356.db2.gz WPTSNHXPXMGFSL-RDJZCZTQSA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001171567904 808098363 /nfs/dbraw/zinc/09/83/63/808098363.db2.gz WPTSNHXPXMGFSL-RDJZCZTQSA-N 1 2 299.439 3.126 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001171939598 808156046 /nfs/dbraw/zinc/15/60/46/808156046.db2.gz UQRICOMSAHLEHN-BCLQGDPASA-N 1 2 280.412 3.026 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001171945301 808157068 /nfs/dbraw/zinc/15/70/68/808157068.db2.gz CDFHCOXXGXTMEB-PREGVCBESA-N 1 2 294.439 3.416 20 30 CGEDLO CCCCCCC[C@H](CCC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172508106 808363627 /nfs/dbraw/zinc/36/36/27/808363627.db2.gz GFYXDBQYZPWDPJ-RDJZCZTQSA-N 1 2 299.455 3.437 20 30 CGEDLO CCCCCCC[C@@H](CCC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001172511279 808366888 /nfs/dbraw/zinc/36/68/88/808366888.db2.gz PVKJZEWZHVCVSR-CQSZACIVSA-N 1 2 289.485 3.244 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001267240923 808392558 /nfs/dbraw/zinc/39/25/58/808392558.db2.gz DFMMHTBRFMDQPG-CQSZACIVSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001267240923 808392566 /nfs/dbraw/zinc/39/25/66/808392566.db2.gz DFMMHTBRFMDQPG-CQSZACIVSA-N 1 2 298.858 3.147 20 30 CGEDLO CCCC[N@H+](CC#N)[C@H]1CCc2ccc(C)cc2C1 ZINC001172842111 808457896 /nfs/dbraw/zinc/45/78/96/808457896.db2.gz IVVGVFNUJLZOGG-KRWDZBQOSA-N 1 2 256.393 3.478 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@H]1CCc2ccc(C)cc2C1 ZINC001172842111 808457898 /nfs/dbraw/zinc/45/78/98/808457898.db2.gz IVVGVFNUJLZOGG-KRWDZBQOSA-N 1 2 256.393 3.478 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1CC ZINC001275912338 808975403 /nfs/dbraw/zinc/97/54/03/808975403.db2.gz KIGVPJDIYNJCII-CYBMUJFWSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1CC ZINC001275912338 808975407 /nfs/dbraw/zinc/97/54/07/808975407.db2.gz KIGVPJDIYNJCII-CYBMUJFWSA-N 1 2 294.826 3.052 20 30 CGEDLO Cc1cc(O)c[nH+]c1Nc1cccc(C2(C#N)CC2)c1 ZINC001213311963 815264299 /nfs/dbraw/zinc/26/42/99/815264299.db2.gz LYVICNSFFRNFJT-UHFFFAOYSA-N 1 2 265.316 3.394 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001279661546 809177531 /nfs/dbraw/zinc/17/75/31/809177531.db2.gz SMCCLBMOGMCCCN-OCCSQVGLSA-N 1 2 298.858 3.169 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001279661546 809177536 /nfs/dbraw/zinc/17/75/36/809177536.db2.gz SMCCLBMOGMCCCN-OCCSQVGLSA-N 1 2 298.858 3.169 20 30 CGEDLO C#Cc1cc(Nc2ccccc2OCCCC)cc[nH+]1 ZINC001174997993 809233241 /nfs/dbraw/zinc/23/32/41/809233241.db2.gz XTUHVRFUTDANTO-UHFFFAOYSA-N 1 2 266.344 3.407 20 30 CGEDLO Cc1sc(Nc2ccc(N(C)C)[nH+]c2)c(C#N)c1C ZINC001175339138 809365254 /nfs/dbraw/zinc/36/52/54/809365254.db2.gz YHRZHGCYDSTMGD-UHFFFAOYSA-N 1 2 272.377 3.441 20 30 CGEDLO N#Cc1cc(F)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351385 809373542 /nfs/dbraw/zinc/37/35/42/809373542.db2.gz KHGRICCDOGYWPF-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO Cc1nsc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175708105 809516116 /nfs/dbraw/zinc/51/61/16/809516116.db2.gz LGDAFPDQRVVQOW-UHFFFAOYSA-N 1 2 299.281 3.063 20 30 CGEDLO COc1cc(Nc2c[nH+]c(C)cc2C)ccc1C#N ZINC001213515973 815296246 /nfs/dbraw/zinc/29/62/46/815296246.db2.gz VZBGPDWDQGSKLX-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COC(=O)c1ccc(Nc2c[nH+]cc(C)c2C)c(C#N)c1 ZINC001213537239 815303264 /nfs/dbraw/zinc/30/32/64/815303264.db2.gz XXZGLBPZTMVCBI-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1cccc(C)c1)C(=O)OC ZINC001183326941 810145131 /nfs/dbraw/zinc/14/51/31/810145131.db2.gz ZHYOHFMOMJBRCG-GOEBONIOSA-N 1 2 275.392 3.023 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C1CC2(C1)CCCC2)C(=O)OCC ZINC001183549755 810151689 /nfs/dbraw/zinc/15/16/89/810151689.db2.gz DLJCTWAUXAQYMH-CQSZACIVSA-N 1 2 265.397 3.197 20 30 CGEDLO N#CCc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184968468 810225853 /nfs/dbraw/zinc/22/58/53/810225853.db2.gz MVRSALFPIZKDJK-UHFFFAOYSA-N 1 2 278.359 3.491 20 30 CGEDLO CCCCCCCCCOC(=O)NCCn1cc[nH+]c1 ZINC001194910000 811168545 /nfs/dbraw/zinc/16/85/45/811168545.db2.gz IHNJGMWHOXRBOY-UHFFFAOYSA-N 1 2 281.400 3.360 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C(C)C)ccc1OC)C1CSC1 ZINC001195978818 811307553 /nfs/dbraw/zinc/30/75/53/811307553.db2.gz PYJTWQLMMHEENH-UHFFFAOYSA-N 1 2 289.444 3.369 20 30 CGEDLO C#CC[N@H+](Cc1cc(C(C)C)ccc1OC)C1CSC1 ZINC001195978818 811307566 /nfs/dbraw/zinc/30/75/66/811307566.db2.gz PYJTWQLMMHEENH-UHFFFAOYSA-N 1 2 289.444 3.369 20 30 CGEDLO N#Cc1ccccc1NC(=S)Nc1ccn2cc[nH+]c2c1 ZINC001196293622 811331082 /nfs/dbraw/zinc/33/10/82/811331082.db2.gz HFRNCOPWCIPLOR-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)co2)C1 ZINC001232854596 818456511 /nfs/dbraw/zinc/45/65/11/818456511.db2.gz MQDVSNCFOYPRPX-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)co2)C1 ZINC001232854596 818456515 /nfs/dbraw/zinc/45/65/15/818456515.db2.gz MQDVSNCFOYPRPX-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO COc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001214999080 815474603 /nfs/dbraw/zinc/47/46/03/815474603.db2.gz YNEYNSNGASYHCS-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C[Si](C)(C)C#Cc1ncccc1Nc1ccc(N)[nH+]c1 ZINC001201272048 811804050 /nfs/dbraw/zinc/80/40/50/811804050.db2.gz GMKJNFWXVOSRHY-UHFFFAOYSA-N 1 2 282.423 3.031 20 30 CGEDLO Cc1cc(C#N)c(Nc2ccc(N)[nH+]c2)cc1Cl ZINC001201295315 811811636 /nfs/dbraw/zinc/81/16/36/811811636.db2.gz ODLSHJKWSZJYSR-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO CCCCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201804123 811966675 /nfs/dbraw/zinc/96/66/75/811966675.db2.gz BWFKNZCCHXSICF-ZDUSSCGKSA-N 1 2 263.372 3.296 20 30 CGEDLO CCCCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201804123 811966679 /nfs/dbraw/zinc/96/66/79/811966679.db2.gz BWFKNZCCHXSICF-ZDUSSCGKSA-N 1 2 263.372 3.296 20 30 CGEDLO C#Cc1cc(Nc2cnc(OCCCC)c(C)c2)cc[nH+]1 ZINC001203039623 812224580 /nfs/dbraw/zinc/22/45/80/812224580.db2.gz OSTFADFHCVVYIE-UHFFFAOYSA-N 1 2 281.359 3.111 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(CO)cc1 ZINC001203180362 812263504 /nfs/dbraw/zinc/26/35/04/812263504.db2.gz DAOMTBDDQQPXHY-UHFFFAOYSA-N 1 2 280.371 3.095 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(CO)cc1 ZINC001203180362 812263509 /nfs/dbraw/zinc/26/35/09/812263509.db2.gz DAOMTBDDQQPXHY-UHFFFAOYSA-N 1 2 280.371 3.095 20 30 CGEDLO COc1cc(C#N)c(Nc2ccc(C)[nH+]c2C)cc1OC ZINC001203373418 812330827 /nfs/dbraw/zinc/33/08/27/812330827.db2.gz MZUBXRCBMRHRDN-UHFFFAOYSA-N 1 2 283.331 3.331 20 30 CGEDLO CNc1ccc(Nc2c(C)cc(C#N)cc2C)c[nH+]1 ZINC001203456259 812365238 /nfs/dbraw/zinc/36/52/38/812365238.db2.gz AOSRXCNLLJQQBH-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO CNc1ccc(Nc2cc(C#N)c(C)cc2C)c[nH+]1 ZINC001203464902 812369787 /nfs/dbraw/zinc/36/97/87/812369787.db2.gz HTTLDLPMAZFYCW-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO C#Cc1cc(Nc2cncc(Oc3ccccc3)c2)cc[nH+]1 ZINC001203556086 812391377 /nfs/dbraw/zinc/39/13/77/812391377.db2.gz ONNZBAQDNSKFJQ-UHFFFAOYSA-N 1 2 287.322 3.416 20 30 CGEDLO CC(=O)Nc1ccc(Nc2cc(C)c[nH+]c2C)cc1C#N ZINC001203663443 812420905 /nfs/dbraw/zinc/42/09/05/812420905.db2.gz QXAZGNHDWKXTKW-UHFFFAOYSA-N 1 2 280.331 3.272 20 30 CGEDLO N#Cc1ccc(Nc2cccc3[nH+]ccn32)cc1F ZINC001204027695 812525414 /nfs/dbraw/zinc/52/54/14/812525414.db2.gz DBBJNOGFJLPSLH-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C=CCOc1ccc(C[N@H+](CCC)CC(=O)OCC)cc1 ZINC001204303953 812606357 /nfs/dbraw/zinc/60/63/57/812606357.db2.gz VPBUTCBQHPMJRY-UHFFFAOYSA-N 1 2 291.391 3.027 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](CCC)CC(=O)OCC)cc1 ZINC001204303953 812606358 /nfs/dbraw/zinc/60/63/58/812606358.db2.gz VPBUTCBQHPMJRY-UHFFFAOYSA-N 1 2 291.391 3.027 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc2ccccc2n1 ZINC001204503290 812657508 /nfs/dbraw/zinc/65/75/08/812657508.db2.gz PANUAMPOFIRVAA-UHFFFAOYSA-N 1 2 253.349 3.360 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc2ccccc2n1 ZINC001204503290 812657514 /nfs/dbraw/zinc/65/75/14/812657514.db2.gz PANUAMPOFIRVAA-UHFFFAOYSA-N 1 2 253.349 3.360 20 30 CGEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC001204548604 812674783 /nfs/dbraw/zinc/67/47/83/812674783.db2.gz SPIJINCJIDJRHE-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3nccs3)C2)c1 ZINC001204548604 812674788 /nfs/dbraw/zinc/67/47/88/812674788.db2.gz SPIJINCJIDJRHE-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208163485 813718714 /nfs/dbraw/zinc/71/87/14/813718714.db2.gz WTPFLLRTTRRUGO-GZBFAFLISA-N 1 2 277.433 3.253 20 30 CGEDLO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001208163485 813718716 /nfs/dbraw/zinc/71/87/16/813718716.db2.gz WTPFLLRTTRRUGO-GZBFAFLISA-N 1 2 277.433 3.253 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001208466967 813763045 /nfs/dbraw/zinc/76/30/45/813763045.db2.gz PREKAFLYGPRUFG-DGCLKSJQSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001208466967 813763053 /nfs/dbraw/zinc/76/30/53/813763053.db2.gz PREKAFLYGPRUFG-DGCLKSJQSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209422434 814024849 /nfs/dbraw/zinc/02/48/49/814024849.db2.gz AUHZJRJLSCKMKZ-CYBMUJFWSA-N 1 2 251.395 3.007 20 30 CGEDLO C=CCCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209422434 814024855 /nfs/dbraw/zinc/02/48/55/814024855.db2.gz AUHZJRJLSCKMKZ-CYBMUJFWSA-N 1 2 251.395 3.007 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209754471 814130546 /nfs/dbraw/zinc/13/05/46/814130546.db2.gz CNIGHEKYYLCYIE-LLVKDONJSA-N 1 2 288.782 3.342 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209754471 814130553 /nfs/dbraw/zinc/13/05/53/814130553.db2.gz CNIGHEKYYLCYIE-LLVKDONJSA-N 1 2 288.782 3.342 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001242739196 823117114 /nfs/dbraw/zinc/11/71/14/823117114.db2.gz JDVPKGZSGBWOMI-GFCCVEGCSA-N 1 2 252.317 3.255 20 30 CGEDLO Cc1ccc(C)c(Nc2c[nH+]c(C)c(N)c2)c1C#N ZINC001210292908 814388166 /nfs/dbraw/zinc/38/81/66/814388166.db2.gz BRCFMLKRZLDYAF-UHFFFAOYSA-N 1 2 252.321 3.204 20 30 CGEDLO COc1cc(C#N)cc(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001210783136 814627192 /nfs/dbraw/zinc/62/71/92/814627192.db2.gz CGQNERDONBJYOV-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001221879503 816332198 /nfs/dbraw/zinc/33/21/98/816332198.db2.gz GQYZUVKYZSNHME-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001221879503 816332203 /nfs/dbraw/zinc/33/22/03/816332203.db2.gz GQYZUVKYZSNHME-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO N#C[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590104 818129345 /nfs/dbraw/zinc/12/93/45/818129345.db2.gz JPSIANYGRUJWCB-CQSZACIVSA-N 1 2 266.344 3.423 20 30 CGEDLO N#C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590104 818129349 /nfs/dbraw/zinc/12/93/49/818129349.db2.gz JPSIANYGRUJWCB-CQSZACIVSA-N 1 2 266.344 3.423 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(C(=O)OC)cc1Cl ZINC001232579688 818390407 /nfs/dbraw/zinc/39/04/07/818390407.db2.gz VZYSAZIATGUEOW-UHFFFAOYSA-N 1 2 279.767 3.301 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(S)CC1 ZINC001232609341 818394139 /nfs/dbraw/zinc/39/41/39/818394139.db2.gz XPXJHOQBLMUWJA-UHFFFAOYSA-N 1 2 266.797 3.106 20 30 CGEDLO CC[N@H+](Cc1cc(C#N)ccc1O)Cc1ccccc1F ZINC001232677136 818416529 /nfs/dbraw/zinc/41/65/29/818416529.db2.gz BDQWUAUODMFIAP-UHFFFAOYSA-N 1 2 284.334 3.425 20 30 CGEDLO Cc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677025 818417515 /nfs/dbraw/zinc/41/75/15/818417515.db2.gz WWGQHBAHWNBHBC-UHFFFAOYSA-N 1 2 266.344 3.204 20 30 CGEDLO Cc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677025 818417518 /nfs/dbraw/zinc/41/75/18/818417518.db2.gz WWGQHBAHWNBHBC-UHFFFAOYSA-N 1 2 266.344 3.204 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001233020292 818502941 /nfs/dbraw/zinc/50/29/41/818502941.db2.gz BZICBZDDXDHHRW-LBPRGKRZSA-N 1 2 292.404 3.050 20 30 CGEDLO CCOC(=O)c1ccsc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001233020292 818502948 /nfs/dbraw/zinc/50/29/48/818502948.db2.gz BZICBZDDXDHHRW-LBPRGKRZSA-N 1 2 292.404 3.050 20 30 CGEDLO CCCCCCC[N@H+](C)Cc1nc2ccccn2n1 ZINC001233072262 818517699 /nfs/dbraw/zinc/51/76/99/818517699.db2.gz JOANJSHCZPLSFQ-UHFFFAOYSA-N 1 2 260.385 3.132 20 30 CGEDLO CCCCCCC[N@@H+](C)Cc1nc2ccccn2n1 ZINC001233072262 818517707 /nfs/dbraw/zinc/51/77/07/818517707.db2.gz JOANJSHCZPLSFQ-UHFFFAOYSA-N 1 2 260.385 3.132 20 30 CGEDLO CC(C)C[NH+](Cc1ccc(C#N)cc1O)CC(C)C ZINC001233383402 818605539 /nfs/dbraw/zinc/60/55/39/818605539.db2.gz GKNLNHURLCCNLB-UHFFFAOYSA-N 1 2 260.381 3.378 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cn2ccc(Cl)cc2n1 ZINC001233391670 818609464 /nfs/dbraw/zinc/60/94/64/818609464.db2.gz RNNBHZZXZJTKMS-UHFFFAOYSA-N 1 2 261.756 3.162 20 30 CGEDLO CC(=NO)c1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001234081316 818774263 /nfs/dbraw/zinc/77/42/63/818774263.db2.gz HLYZGFWPWCYAQY-UHFFFAOYSA-N 1 2 296.370 3.148 20 30 CGEDLO N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cn2)ccc1F ZINC001235891512 819200373 /nfs/dbraw/zinc/20/03/73/819200373.db2.gz NJAGQWXIBMGVDZ-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO C=CCN1CC[NH+](Cc2c(C)cc(Cl)cc2C)CC1 ZINC001237356891 819734783 /nfs/dbraw/zinc/73/47/83/819734783.db2.gz VMWFLEYRDWFXFE-UHFFFAOYSA-N 1 2 278.827 3.260 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](C(F)F)C2)c(F)cc1F ZINC001237526655 819771853 /nfs/dbraw/zinc/77/18/53/819771853.db2.gz DGZPYSWEBNAGRM-SECBINFHSA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(F)cc1F ZINC001237526655 819771856 /nfs/dbraw/zinc/77/18/56/819771856.db2.gz DGZPYSWEBNAGRM-SECBINFHSA-N 1 2 286.272 3.314 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cccc(-c2ccccn2)n1 ZINC001237832027 819856814 /nfs/dbraw/zinc/85/68/14/819856814.db2.gz DGNPECWMXUZRMM-UHFFFAOYSA-N 1 2 280.375 3.269 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cccc(-c2ccccn2)n1 ZINC001237832027 819856825 /nfs/dbraw/zinc/85/68/25/819856825.db2.gz DGNPECWMXUZRMM-UHFFFAOYSA-N 1 2 280.375 3.269 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237996739 819904509 /nfs/dbraw/zinc/90/45/09/819904509.db2.gz IGURNYRDDBCOCL-UHFFFAOYSA-N 1 2 255.720 3.359 20 30 CGEDLO N#Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccc1Cl ZINC001238193309 819953033 /nfs/dbraw/zinc/95/30/33/819953033.db2.gz BSJGJRYBJGRLIM-UHFFFAOYSA-N 1 2 282.721 3.443 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558886 820043099 /nfs/dbraw/zinc/04/30/99/820043099.db2.gz QVMUGOXASDTQPR-AWEZNQCLSA-N 1 2 281.334 3.233 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238558886 820043106 /nfs/dbraw/zinc/04/31/06/820043106.db2.gz QVMUGOXASDTQPR-AWEZNQCLSA-N 1 2 281.334 3.233 20 30 CGEDLO COc1ccc(-c2ccncc2)c(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001238649353 820068536 /nfs/dbraw/zinc/06/85/36/820068536.db2.gz APJRIVMTBOZMAN-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1ccc(-c2ccncc2)c(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001238649353 820068545 /nfs/dbraw/zinc/06/85/45/820068545.db2.gz APJRIVMTBOZMAN-CQSZACIVSA-N 1 2 293.370 3.103 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cnc1C1CC1 ZINC001238632007 820069725 /nfs/dbraw/zinc/06/97/25/820069725.db2.gz PJTBIGFJORODLC-MRXNPFEDSA-N 1 2 255.365 3.003 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cnc1C1CC1 ZINC001238632007 820069736 /nfs/dbraw/zinc/06/97/36/820069736.db2.gz PJTBIGFJORODLC-MRXNPFEDSA-N 1 2 255.365 3.003 20 30 CGEDLO Cc1cn2c(cccc2-c2ccccc2OCC#N)[nH+]1 ZINC001243583513 823454810 /nfs/dbraw/zinc/45/48/10/823454810.db2.gz XQCSKKHORPDVPF-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO N#Cc1ncc(F)cc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243657947 823476713 /nfs/dbraw/zinc/47/67/13/823476713.db2.gz BPFCVUYTMBJFCC-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#Cc1cc2ccccc2nc1-c1ccc2[nH+]ccn2c1 ZINC001240215249 820885067 /nfs/dbraw/zinc/88/50/67/820885067.db2.gz WDKBHGAZPJXYBW-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#CCc1ccc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218848 820891159 /nfs/dbraw/zinc/89/11/59/820891159.db2.gz MELGVLUALZGFNG-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1cc2cc(-c3ccc4[nH+]ccn4c3)ccc2[nH]1 ZINC001240219203 820893798 /nfs/dbraw/zinc/89/37/98/820893798.db2.gz FMESMIPWZZXBHW-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#CCc1cc(F)cc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240221844 820899850 /nfs/dbraw/zinc/89/98/50/820899850.db2.gz VVAWHDCMZQIMLC-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1cc(-c2ccn3cc[nH+]c3c2)nc(C(F)(F)F)c1 ZINC001240496335 821092346 /nfs/dbraw/zinc/09/23/46/821092346.db2.gz BNGAPKYHWXPCCP-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO N#Cc1cnc(-c2ccn3cc[nH+]c3c2)c2ccccc12 ZINC001240496299 821092809 /nfs/dbraw/zinc/09/28/09/821092809.db2.gz LFKOERGTBLLTNT-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#Cc1c(-c2ccn3cc[nH+]c3c2)ccc2ncccc12 ZINC001240513363 821109425 /nfs/dbraw/zinc/10/94/25/821109425.db2.gz NZQIIWYARNBHCR-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO N#CCc1c(F)cccc1-c1ccn2cc[nH+]c2c1 ZINC001240519073 821116700 /nfs/dbraw/zinc/11/67/00/821116700.db2.gz YMMKQFQUBOBUGE-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(CC#N)c1F ZINC001241242960 821663695 /nfs/dbraw/zinc/66/36/95/821663695.db2.gz BUGAYBHOYUMKOC-UHFFFAOYSA-N 1 2 269.323 3.328 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)cc1OCC#N ZINC001241243017 821664903 /nfs/dbraw/zinc/66/49/03/821664903.db2.gz COSYTHGZKCHUHW-UHFFFAOYSA-N 1 2 285.322 3.165 20 30 CGEDLO C#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1 ZINC001242295819 822942036 /nfs/dbraw/zinc/94/20/36/822942036.db2.gz IRHTZMQASBIHGC-UHFFFAOYSA-N 1 2 295.357 3.306 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)ccc2CO)cc1C#N ZINC001242341273 822955747 /nfs/dbraw/zinc/95/57/47/822955747.db2.gz HOCXBCIRMWUFEE-RGVLZGJSSA-N 1 2 297.333 3.078 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1cc(C#N)ccc1C ZINC001242541836 823024816 /nfs/dbraw/zinc/02/48/16/823024816.db2.gz PLQSGVONVJSACB-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO C[C@H]1CCc2nc(C[NH2+]CC3(C#N)CCCC3)sc2C1 ZINC001327305440 935051943 /nfs/dbraw/zinc/05/19/43/935051943.db2.gz PYIMOPHLUORJED-LBPRGKRZSA-N 1 2 289.448 3.441 20 30 CGEDLO C#Cc1ccc(Nc2ccc(N(C)CC)[nH+]c2)cc1 ZINC001210114875 926708333 /nfs/dbraw/zinc/70/83/33/926708333.db2.gz GIKYTVKUDJTXED-UHFFFAOYSA-N 1 2 251.333 3.263 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccoc1C(C)C ZINC001481019819 926859382 /nfs/dbraw/zinc/85/93/82/926859382.db2.gz GXMIZNCYAHZFEP-UHFFFAOYSA-N 1 2 298.814 3.207 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccoc1C(C)C ZINC001481019819 926859395 /nfs/dbraw/zinc/85/93/95/926859395.db2.gz GXMIZNCYAHZFEP-UHFFFAOYSA-N 1 2 298.814 3.207 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001498397540 927141149 /nfs/dbraw/zinc/14/11/49/927141149.db2.gz FXZOHESPIDSCAL-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001498397540 927141158 /nfs/dbraw/zinc/14/11/58/927141158.db2.gz FXZOHESPIDSCAL-KGLIPLIRSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001485334027 927847991 /nfs/dbraw/zinc/84/79/91/927847991.db2.gz LJEQLPIJPLJYMZ-CBBWQLFWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001485334027 927848006 /nfs/dbraw/zinc/84/80/06/927848006.db2.gz LJEQLPIJPLJYMZ-CBBWQLFWSA-N 1 2 298.858 3.002 20 30 CGEDLO CCc1cc(N(C)Cc2ccc(C#N)cc2)nc(CC)[nH+]1 ZINC001458098475 937450879 /nfs/dbraw/zinc/45/08/79/937450879.db2.gz XOLKQQANMYNJDF-UHFFFAOYSA-N 1 2 280.375 3.109 20 30 CGEDLO C=CCc1ccc(O)c(OC2C[NH+](Cc3ccccc3)C2)c1 ZINC001229339384 932136040 /nfs/dbraw/zinc/13/60/40/932136040.db2.gz CPIXBNWASDIBST-UHFFFAOYSA-N 1 2 295.382 3.384 20 30 CGEDLO C#C[C@@H]1CCC[C@H]1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084007 932675913 /nfs/dbraw/zinc/67/59/13/932675913.db2.gz SISFWWNZKXCYLB-CXAGYDPISA-N 1 2 266.344 3.268 20 30 CGEDLO N#Cc1cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)ccc1O ZINC001242566109 932702996 /nfs/dbraw/zinc/70/29/96/932702996.db2.gz JHCFVVNRJCMSBW-UHFFFAOYSA-N 1 2 279.274 3.256 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001339278969 932941016 /nfs/dbraw/zinc/94/10/16/932941016.db2.gz IYMIDGTZZGOABD-ZDUSSCGKSA-N 1 2 269.348 3.134 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001462507596 937646213 /nfs/dbraw/zinc/64/62/13/937646213.db2.gz UVGHLIZFPOYDPW-CRWXNKLISA-N 1 2 285.815 3.229 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(F)cc1 ZINC001308787120 933176572 /nfs/dbraw/zinc/17/65/72/933176572.db2.gz PKLRFIBKUSFZRF-KRWDZBQOSA-N 1 2 281.330 3.225 20 30 CGEDLO Oc1c(Cl)cccc1C[NH2+]CC#Cc1ccccc1 ZINC001308976685 933219258 /nfs/dbraw/zinc/21/92/58/933219258.db2.gz ZRNDFUVRUGSAFW-UHFFFAOYSA-N 1 2 271.747 3.187 20 30 CGEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC001320303904 934028537 /nfs/dbraw/zinc/02/85/37/934028537.db2.gz TYGSNUQUGXUDMC-MNOVXSKESA-N 1 2 254.399 3.118 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001320814550 934107759 /nfs/dbraw/zinc/10/77/59/934107759.db2.gz OUFDQVWYXHINQO-UHFFFAOYSA-N 1 2 280.375 3.436 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@](C)(F)CCCC ZINC001322191562 934257161 /nfs/dbraw/zinc/25/71/61/934257161.db2.gz CBAOCGHVRUPFQZ-GXTWGEPZSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@](C)(F)CCCC ZINC001322191562 934257172 /nfs/dbraw/zinc/25/71/72/934257172.db2.gz CBAOCGHVRUPFQZ-GXTWGEPZSA-N 1 2 292.826 3.094 20 30 CGEDLO CN(C)c1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)cc1 ZINC001322820084 934339514 /nfs/dbraw/zinc/33/95/14/934339514.db2.gz NXUGOARRLRUJGA-XFXZXTDPSA-N 1 2 295.386 3.110 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1nc2ccccc2s1 ZINC001323795711 934426168 /nfs/dbraw/zinc/42/61/68/934426168.db2.gz AXFJFRMGGVYUNE-JTQLQIEISA-N 1 2 257.362 3.251 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(Cl)nc1 ZINC001324707407 934553613 /nfs/dbraw/zinc/55/36/13/934553613.db2.gz OUCPXGJMFYTEGO-FNORWQNLSA-N 1 2 287.750 3.092 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cccc(C#N)c1O ZINC001329747918 935243627 /nfs/dbraw/zinc/24/36/27/935243627.db2.gz DOLMDRDGVIQOFG-DRZSPHRISA-N 1 2 262.328 3.195 20 30 CGEDLO C=C(C)CCC(=O)N(CC[N@H+](C)CC(=C)Cl)C(C)C ZINC001332707538 935483370 /nfs/dbraw/zinc/48/33/70/935483370.db2.gz NBKVHDFAISIBCX-UHFFFAOYSA-N 1 2 286.847 3.264 20 30 CGEDLO C=C(C)CCC(=O)N(CC[N@@H+](C)CC(=C)Cl)C(C)C ZINC001332707538 935483373 /nfs/dbraw/zinc/48/33/73/935483373.db2.gz NBKVHDFAISIBCX-UHFFFAOYSA-N 1 2 286.847 3.264 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(OC)cc1Br)C(C)C ZINC001473817487 937823418 /nfs/dbraw/zinc/82/34/18/937823418.db2.gz VHOKAWQRBLWJJB-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO C#CC[N@H+](Cc1ccc(OC)cc1Br)C(C)C ZINC001473817487 937823420 /nfs/dbraw/zinc/82/34/20/937823420.db2.gz VHOKAWQRBLWJJB-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@](C)(CC)CCC)C1 ZINC001494605720 937955390 /nfs/dbraw/zinc/95/53/90/937955390.db2.gz BQJXEFXDSFOUHW-OAHLLOKOSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C[C@H](CC(=O)Nc1c(C)c[nH+]cc1C)c1ccccc1 ZINC001537892082 938114068 /nfs/dbraw/zinc/11/40/68/938114068.db2.gz SAQHAHXOUWJSNK-OAHLLOKOSA-N 1 2 280.371 3.419 20 30 CGEDLO C=C(C)C[NH+]1CCN(c2cc(OC)ccc2Cl)CC1 ZINC001559965629 938240420 /nfs/dbraw/zinc/24/04/20/938240420.db2.gz GYXYVFTUDFOLAN-UHFFFAOYSA-N 1 2 280.799 3.047 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C(C)C ZINC001560164723 938245848 /nfs/dbraw/zinc/24/58/48/938245848.db2.gz KHOZUUVMDHOAMN-UHFFFAOYSA-N 1 2 287.338 3.028 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C(C)C ZINC001560164723 938245849 /nfs/dbraw/zinc/24/58/49/938245849.db2.gz KHOZUUVMDHOAMN-UHFFFAOYSA-N 1 2 287.338 3.028 20 30 CGEDLO C#Cc1ccc(NCc2[nH]c(C)c(C)[nH+]2)c(Cl)c1 ZINC001560606343 938265161 /nfs/dbraw/zinc/26/51/61/938265161.db2.gz OWFKGLODZBQXOW-UHFFFAOYSA-N 1 2 259.740 3.273 20 30 CGEDLO C#Cc1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC001560613128 938265284 /nfs/dbraw/zinc/26/52/84/938265284.db2.gz LQBAMLNBVUJIHF-UHFFFAOYSA-N 1 2 261.328 3.236 20 30 CGEDLO Cc1cc(NCCc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC001156838069 958830203 /nfs/dbraw/zinc/83/02/03/958830203.db2.gz ULYPNRMSSJSNNR-UHFFFAOYSA-N 1 2 280.375 3.435 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@H]1CC[C@H](C)C1)C1CC1 ZINC001567447701 961357003 /nfs/dbraw/zinc/35/70/03/961357003.db2.gz ZKNQLAXHNUBIFU-JSGCOSHPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@H]1CC[C@H](C)C1)C1CC1 ZINC001567447701 961357023 /nfs/dbraw/zinc/35/70/23/961357023.db2.gz ZKNQLAXHNUBIFU-JSGCOSHPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001570891919 962112866 /nfs/dbraw/zinc/11/28/66/962112866.db2.gz ZPKHNSABWTWICI-SBDDDAINSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001570891919 962112872 /nfs/dbraw/zinc/11/28/72/962112872.db2.gz ZPKHNSABWTWICI-SBDDDAINSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC(C)(C)C)C(C)C ZINC001571610402 962186177 /nfs/dbraw/zinc/18/61/77/962186177.db2.gz PDVOKNZONWWTLR-UHFFFAOYSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC(C)(C)C)C(C)C ZINC001571610402 962186189 /nfs/dbraw/zinc/18/61/89/962186189.db2.gz PDVOKNZONWWTLR-UHFFFAOYSA-N 1 2 288.863 3.344 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC#Cc1ccccc1 ZINC000621388612 349517248 /nfs/dbraw/zinc/51/72/48/349517248.db2.gz CLOPROSWAHXKRE-UHFFFAOYSA-N 1 2 294.398 3.191 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC#Cc1ccccc1 ZINC000621388612 349517249 /nfs/dbraw/zinc/51/72/49/349517249.db2.gz CLOPROSWAHXKRE-UHFFFAOYSA-N 1 2 294.398 3.191 20 30 CGEDLO Cc1cn2cc(NC(=O)c3cccc(C#N)c3C)ccc2[nH+]1 ZINC000337810656 214272054 /nfs/dbraw/zinc/27/20/54/214272054.db2.gz MDSXQYCLDGCQHO-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(C(F)F)C2)c(C(F)(F)F)c1 ZINC000590968894 346891893 /nfs/dbraw/zinc/89/18/93/346891893.db2.gz KFXHFMUCPBUWLA-UHFFFAOYSA-N 1 2 290.235 3.274 20 30 CGEDLO CC[C@H](C#N)Oc1cc(CNc2cccc[nH+]2)ccc1OC ZINC000113247993 529587736 /nfs/dbraw/zinc/58/77/36/529587736.db2.gz NVZMDNSCEIYUAT-CQSZACIVSA-N 1 2 297.358 3.383 20 30 CGEDLO Cc1cc(N2CCCO[C@@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591819625 346938916 /nfs/dbraw/zinc/93/89/16/346938916.db2.gz XLWQFFZGMYHKAD-GOSISDBHSA-N 1 2 293.370 3.230 20 30 CGEDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccncc1C#N ZINC000592056057 346958078 /nfs/dbraw/zinc/95/80/78/346958078.db2.gz UMTGKZABSFZNJQ-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592056057 346958080 /nfs/dbraw/zinc/95/80/80/346958080.db2.gz UMTGKZABSFZNJQ-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO N#Cc1cnccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000592055718 346958284 /nfs/dbraw/zinc/95/82/84/346958284.db2.gz QBZWJQAUFCQYFA-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cnccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000592055718 346958286 /nfs/dbraw/zinc/95/82/86/346958286.db2.gz QBZWJQAUFCQYFA-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000592120624 346964437 /nfs/dbraw/zinc/96/44/37/346964437.db2.gz HZMBHIOPQWHJMY-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000592120624 346964439 /nfs/dbraw/zinc/96/44/39/346964439.db2.gz HZMBHIOPQWHJMY-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592122142 346964845 /nfs/dbraw/zinc/96/48/45/346964845.db2.gz XQRNOSWMCNWRRO-SFHVURJKSA-N 1 2 295.361 3.332 20 30 CGEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592122142 346964848 /nfs/dbraw/zinc/96/48/48/346964848.db2.gz XQRNOSWMCNWRRO-SFHVURJKSA-N 1 2 295.361 3.332 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000593059660 347033666 /nfs/dbraw/zinc/03/36/66/347033666.db2.gz RXJKDDMNJULWLB-KGLIPLIRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(F)c1C#N ZINC000593059660 347033669 /nfs/dbraw/zinc/03/36/69/347033669.db2.gz RXJKDDMNJULWLB-KGLIPLIRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC#Cc1ccccc1 ZINC000593117029 347041567 /nfs/dbraw/zinc/04/15/67/347041567.db2.gz LWCWIFUPJAWXKY-INIZCTEOSA-N 1 2 287.403 3.090 20 30 CGEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC000593117029 347041568 /nfs/dbraw/zinc/04/15/68/347041568.db2.gz LWCWIFUPJAWXKY-INIZCTEOSA-N 1 2 287.403 3.090 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1cccs1 ZINC000060942775 345224671 /nfs/dbraw/zinc/22/46/71/345224671.db2.gz OTHKVXQDMRADNM-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1cccs1 ZINC000060942775 345224674 /nfs/dbraw/zinc/22/46/74/345224674.db2.gz OTHKVXQDMRADNM-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000064796786 345264338 /nfs/dbraw/zinc/26/43/38/345264338.db2.gz LWNXEHHOSMAINH-LLVKDONJSA-N 1 2 294.782 3.093 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000064796786 345264342 /nfs/dbraw/zinc/26/43/42/345264342.db2.gz LWNXEHHOSMAINH-LLVKDONJSA-N 1 2 294.782 3.093 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)OC(C)(C)C ZINC000065959662 345282004 /nfs/dbraw/zinc/28/20/04/345282004.db2.gz JNTPZVJMRMNZNL-UHFFFAOYSA-N 1 2 275.392 3.059 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)OC(C)(C)C ZINC000065959662 345282005 /nfs/dbraw/zinc/28/20/05/345282005.db2.gz JNTPZVJMRMNZNL-UHFFFAOYSA-N 1 2 275.392 3.059 20 30 CGEDLO CC[C@H](OCCNc1cc(C)[nH+]cc1C#N)c1ccccc1 ZINC000593489916 347086505 /nfs/dbraw/zinc/08/65/05/347086505.db2.gz YHCUXSCKOJGPFL-SFHVURJKSA-N 1 2 295.386 3.263 20 30 CGEDLO CCCCn1c(S[C@H](C)C#N)nnc1[C@@H](CC)[NH+](C)C ZINC000078249463 345595952 /nfs/dbraw/zinc/59/59/52/345595952.db2.gz RYBJHGTYIZZDIH-VXGBXAGGSA-N 1 2 295.456 3.095 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)o1 ZINC000078426753 345608376 /nfs/dbraw/zinc/60/83/76/345608376.db2.gz AWMNFIHUPDSNDG-UHFFFAOYSA-N 1 2 279.343 3.344 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)o1 ZINC000078426753 345608378 /nfs/dbraw/zinc/60/83/78/345608378.db2.gz AWMNFIHUPDSNDG-UHFFFAOYSA-N 1 2 279.343 3.344 20 30 CGEDLO CCc1oc2ccccc2c1C[N@@H+](CCC#N)CCOC ZINC000093100042 345869145 /nfs/dbraw/zinc/86/91/45/345869145.db2.gz PRWVYPOUPYORIU-UHFFFAOYSA-N 1 2 286.375 3.357 20 30 CGEDLO CCc1oc2ccccc2c1C[N@H+](CCC#N)CCOC ZINC000093100042 345869147 /nfs/dbraw/zinc/86/91/47/345869147.db2.gz PRWVYPOUPYORIU-UHFFFAOYSA-N 1 2 286.375 3.357 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2)o1 ZINC000093099871 345869230 /nfs/dbraw/zinc/86/92/30/345869230.db2.gz PXAFZNRKLZWNOJ-UHFFFAOYSA-N 1 2 284.359 3.309 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2)o1 ZINC000093099871 345869234 /nfs/dbraw/zinc/86/92/34/345869234.db2.gz PXAFZNRKLZWNOJ-UHFFFAOYSA-N 1 2 284.359 3.309 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cc(C#N)ccc1F ZINC000155414712 346153344 /nfs/dbraw/zinc/15/33/44/346153344.db2.gz HRTAZOGNEXHIMG-UHFFFAOYSA-N 1 2 285.347 3.263 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cc(C#N)ccc1F ZINC000155414712 346153347 /nfs/dbraw/zinc/15/33/47/346153347.db2.gz HRTAZOGNEXHIMG-UHFFFAOYSA-N 1 2 285.347 3.263 20 30 CGEDLO COc1nc2ccccc2cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593652762 347099023 /nfs/dbraw/zinc/09/90/23/347099023.db2.gz KVDOFWDXYUMWOK-UHFFFAOYSA-N 1 2 295.386 3.417 20 30 CGEDLO COc1cc(F)c(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593654011 347100083 /nfs/dbraw/zinc/10/00/83/347100083.db2.gz NZRMUNVBJMCWIN-UHFFFAOYSA-N 1 2 292.354 3.016 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000585767678 346729323 /nfs/dbraw/zinc/72/93/23/346729323.db2.gz VFVYAHJKNZAEMI-UHFFFAOYSA-N 1 2 288.244 3.118 20 30 CGEDLO Cc1cc(C#N)cc(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000587096674 346742585 /nfs/dbraw/zinc/74/25/85/346742585.db2.gz HIFGKEGZAOAGPA-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO CC(C)c1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594032187 347140095 /nfs/dbraw/zinc/14/00/95/347140095.db2.gz ROVKLUCHAQNPKL-UHFFFAOYSA-N 1 2 296.374 3.234 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000594028732 347140378 /nfs/dbraw/zinc/14/03/78/347140378.db2.gz XRHKSJDCLXXQRR-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)s1)C2 ZINC000594028732 347140383 /nfs/dbraw/zinc/14/03/83/347140383.db2.gz XRHKSJDCLXXQRR-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)no1 ZINC000594032704 347141214 /nfs/dbraw/zinc/14/12/14/347141214.db2.gz LQEQPLOWFUHBSM-UHFFFAOYSA-N 1 2 267.332 3.024 20 30 CGEDLO N#CCCCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000594216952 347165303 /nfs/dbraw/zinc/16/53/03/347165303.db2.gz ZIXZMZCCMCRFQP-UHFFFAOYSA-N 1 2 268.320 3.099 20 30 CGEDLO Cc1sccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613425 347204140 /nfs/dbraw/zinc/20/41/40/347204140.db2.gz OIHMXQAQKXSJEK-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1sccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613425 347204143 /nfs/dbraw/zinc/20/41/43/347204143.db2.gz OIHMXQAQKXSJEK-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO COc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1C#N ZINC000594743734 347215835 /nfs/dbraw/zinc/21/58/35/347215835.db2.gz WADIVPYOZGUNBZ-UHFFFAOYSA-N 1 2 293.370 3.453 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594944193 347237787 /nfs/dbraw/zinc/23/77/87/347237787.db2.gz IIMLLEIKBDMIMK-NSHDSACASA-N 1 2 298.415 3.253 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595423953 347301349 /nfs/dbraw/zinc/30/13/49/347301349.db2.gz TVRJFALEVXATKR-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595423953 347301353 /nfs/dbraw/zinc/30/13/53/347301353.db2.gz TVRJFALEVXATKR-CYBMUJFWSA-N 1 2 267.756 3.062 20 30 CGEDLO CC[N@@H+](CCC#N)CCSc1cccc(OC)c1 ZINC000595331669 347292974 /nfs/dbraw/zinc/29/29/74/347292974.db2.gz CJCDYLRUBCUHFJ-UHFFFAOYSA-N 1 2 264.394 3.023 20 30 CGEDLO CC[N@H+](CCC#N)CCSc1cccc(OC)c1 ZINC000595331669 347292979 /nfs/dbraw/zinc/29/29/79/347292979.db2.gz CJCDYLRUBCUHFJ-UHFFFAOYSA-N 1 2 264.394 3.023 20 30 CGEDLO Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595615856 347327946 /nfs/dbraw/zinc/32/79/46/347327946.db2.gz UHPZLRWLMHHCCQ-AWEZNQCLSA-N 1 2 296.374 3.171 20 30 CGEDLO Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595615856 347327947 /nfs/dbraw/zinc/32/79/47/347327947.db2.gz UHPZLRWLMHHCCQ-AWEZNQCLSA-N 1 2 296.374 3.171 20 30 CGEDLO CC[N@H+](CCCOc1cc(C)ccc1C)[C@H](C)C#N ZINC000595813586 347358811 /nfs/dbraw/zinc/35/88/11/347358811.db2.gz VVNKFPJSCASSOR-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1cc(C)ccc1C)[C@H](C)C#N ZINC000595813586 347358816 /nfs/dbraw/zinc/35/88/16/347358816.db2.gz VVNKFPJSCASSOR-OAHLLOKOSA-N 1 2 260.381 3.306 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1F ZINC000595753108 347350326 /nfs/dbraw/zinc/35/03/26/347350326.db2.gz PJJWROSRBJHPFD-AWEZNQCLSA-N 1 2 274.339 3.275 20 30 CGEDLO COc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)cc1F ZINC000595753108 347350328 /nfs/dbraw/zinc/35/03/28/347350328.db2.gz PJJWROSRBJHPFD-AWEZNQCLSA-N 1 2 274.339 3.275 20 30 CGEDLO CC12CC(C1)C[N@@H+]2Cc1ccc(Br)cc1C#N ZINC000595921011 347372715 /nfs/dbraw/zinc/37/27/15/347372715.db2.gz ZXXUCZSMKJAARH-UHFFFAOYSA-N 1 2 291.192 3.305 20 30 CGEDLO CC12CC(C1)C[N@H+]2Cc1ccc(Br)cc1C#N ZINC000595921011 347372717 /nfs/dbraw/zinc/37/27/17/347372717.db2.gz ZXXUCZSMKJAARH-UHFFFAOYSA-N 1 2 291.192 3.305 20 30 CGEDLO N#CC[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000596330330 347419836 /nfs/dbraw/zinc/41/98/36/347419836.db2.gz LVNGBLHJNPFXQN-JTQLQIEISA-N 1 2 269.270 3.230 20 30 CGEDLO Cc1cc(N2CCC[C@H]([C@H]3CCCCO3)C2)c(C#N)c[nH+]1 ZINC000596497718 347468712 /nfs/dbraw/zinc/46/87/12/347468712.db2.gz CDRJEFIXWXJVDW-WMLDXEAASA-N 1 2 285.391 3.047 20 30 CGEDLO C[C@H](CC#N)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000596702629 347502111 /nfs/dbraw/zinc/50/21/11/347502111.db2.gz YVVHUFSZUMPVIL-GFCCVEGCSA-N 1 2 296.374 3.251 20 30 CGEDLO Cc1cc(Br)c(C[NH+]2CC(CC#N)C2)s1 ZINC000597204540 347554157 /nfs/dbraw/zinc/55/41/57/347554157.db2.gz ZRJFSUONBZAHBI-UHFFFAOYSA-N 1 2 285.210 3.165 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000597231728 347560132 /nfs/dbraw/zinc/56/01/32/347560132.db2.gz ONHKAPPWLKYWSS-MPNWYJEXSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000597231728 347560134 /nfs/dbraw/zinc/56/01/34/347560134.db2.gz ONHKAPPWLKYWSS-MPNWYJEXSA-N 1 2 262.303 3.214 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)c(F)c1 ZINC000599027682 347707516 /nfs/dbraw/zinc/70/75/16/347707516.db2.gz PMRVHPBKRCMZKA-ZDUSSCGKSA-N 1 2 287.363 3.321 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000599415296 347742898 /nfs/dbraw/zinc/74/28/98/347742898.db2.gz MVJJCIOCHZQPGO-KRWDZBQOSA-N 1 2 280.375 3.317 20 30 CGEDLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000599415296 347742901 /nfs/dbraw/zinc/74/29/01/347742901.db2.gz MVJJCIOCHZQPGO-KRWDZBQOSA-N 1 2 280.375 3.317 20 30 CGEDLO Cc1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)o1 ZINC000600140904 347784145 /nfs/dbraw/zinc/78/41/45/347784145.db2.gz BAECQYXJFRHFEI-HNNXBMFYSA-N 1 2 255.321 3.118 20 30 CGEDLO Cc1cc(C#N)cc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000601101853 347869832 /nfs/dbraw/zinc/86/98/32/347869832.db2.gz WIYZBBWWDLJTQR-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO CCCOc1ncccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602002680 347931945 /nfs/dbraw/zinc/93/19/45/347931945.db2.gz AGVDSYSBGQLWPM-UHFFFAOYSA-N 1 2 299.349 3.171 20 30 CGEDLO COC(=O)c1csc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000602464102 347962047 /nfs/dbraw/zinc/96/20/47/347962047.db2.gz BQRQUTNHNZAGFL-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO COC(=O)c1csc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000602464102 347962051 /nfs/dbraw/zinc/96/20/51/347962051.db2.gz BQRQUTNHNZAGFL-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC000602481560 347966074 /nfs/dbraw/zinc/96/60/74/347966074.db2.gz GHPKFAPOQHEZFJ-CVEARBPZSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC000602481560 347966077 /nfs/dbraw/zinc/96/60/77/347966077.db2.gz GHPKFAPOQHEZFJ-CVEARBPZSA-N 1 2 283.400 3.415 20 30 CGEDLO C[C@H](CCC#N)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000602575284 347985546 /nfs/dbraw/zinc/98/55/46/347985546.db2.gz RYCZGUFIZBVYEW-CYBMUJFWSA-N 1 2 258.369 3.034 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3ccc(F)c(F)c3C2)CC1 ZINC000602785000 348028267 /nfs/dbraw/zinc/02/82/67/348028267.db2.gz QYKHUMDCXSFAQT-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3ccc(F)c(F)c3C2)CC1 ZINC000602785000 348028269 /nfs/dbraw/zinc/02/82/69/348028269.db2.gz QYKHUMDCXSFAQT-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO C[C@@H](CCC#N)C[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000602713015 348015741 /nfs/dbraw/zinc/01/57/41/348015741.db2.gz YBQZQESHKRPIPQ-JTQLQIEISA-N 1 2 250.292 3.220 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(C)n1 ZINC000602802523 348031519 /nfs/dbraw/zinc/03/15/19/348031519.db2.gz VEUOJLWBOGNQEB-NSHDSACASA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c(C)n1 ZINC000602802523 348031522 /nfs/dbraw/zinc/03/15/22/348031522.db2.gz VEUOJLWBOGNQEB-NSHDSACASA-N 1 2 257.381 3.131 20 30 CGEDLO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[C@H]1C#N ZINC000602977004 348049519 /nfs/dbraw/zinc/04/95/19/348049519.db2.gz WJNUUIZDHFOYME-AAEUAGOBSA-N 1 2 292.766 3.193 20 30 CGEDLO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H]1CCC[C@H]1C#N ZINC000602977004 348049522 /nfs/dbraw/zinc/04/95/22/348049522.db2.gz WJNUUIZDHFOYME-AAEUAGOBSA-N 1 2 292.766 3.193 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(F)F ZINC000603429698 348082880 /nfs/dbraw/zinc/08/28/80/348082880.db2.gz PEQKQGLAVCXQJH-NSHDSACASA-N 1 2 268.307 3.112 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000610410467 348381607 /nfs/dbraw/zinc/38/16/07/348381607.db2.gz UELYGLBBEDWQTH-SUNKGSAMSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000610410467 348381609 /nfs/dbraw/zinc/38/16/09/348381609.db2.gz UELYGLBBEDWQTH-SUNKGSAMSA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991773 348414127 /nfs/dbraw/zinc/41/41/27/348414127.db2.gz IRLKENVMSDONTN-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991773 348414130 /nfs/dbraw/zinc/41/41/30/348414130.db2.gz IRLKENVMSDONTN-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO COC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000611433044 348451530 /nfs/dbraw/zinc/45/15/30/348451530.db2.gz VQZOSKDJJDWGNH-CYBMUJFWSA-N 1 2 298.308 3.286 20 30 CGEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cs1 ZINC000611465513 348453429 /nfs/dbraw/zinc/45/34/29/348453429.db2.gz HIZXQGJDBLNUMP-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO COc1ccc2[nH+]c(N3CCC(CC#N)CC3)ccc2c1 ZINC000611618001 348463222 /nfs/dbraw/zinc/46/32/22/348463222.db2.gz XPTJKXVIKREETC-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000614174155 348655059 /nfs/dbraw/zinc/65/50/59/348655059.db2.gz JMYXXSXVUGDZBI-UHFFFAOYSA-N 1 2 298.390 3.204 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(Cl)c1 ZINC000615227117 348725296 /nfs/dbraw/zinc/72/52/96/348725296.db2.gz XDNWCMUXIKLYBD-UHFFFAOYSA-N 1 2 282.721 3.443 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000617779770 349009252 /nfs/dbraw/zinc/00/92/52/349009252.db2.gz ILWZOCBQZZCWLB-AWEZNQCLSA-N 1 2 297.402 3.310 20 30 CGEDLO Cc1nc(C2([NH2+]Cc3ccc(C#N)c(C)c3)CCCC2)no1 ZINC000618192379 349061610 /nfs/dbraw/zinc/06/16/10/349061610.db2.gz LQHWGBGAHQMSOE-UHFFFAOYSA-N 1 2 296.374 3.117 20 30 CGEDLO Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(C2CC2)[nH+]1 ZINC000618693970 349145441 /nfs/dbraw/zinc/14/54/41/349145441.db2.gz VNKRMFKIQLOOSE-MRXNPFEDSA-N 1 2 290.370 3.055 20 30 CGEDLO CCc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc[nH+]1 ZINC000618694438 349145565 /nfs/dbraw/zinc/14/55/65/349145565.db2.gz HHDISBMWHXZFPQ-OAHLLOKOSA-N 1 2 264.332 3.010 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1csc2ccccc12 ZINC000619716535 349278202 /nfs/dbraw/zinc/27/82/02/349278202.db2.gz SPMASEAOOZKCGN-ZDUSSCGKSA-N 1 2 275.373 3.061 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1csc2ccccc12 ZINC000619716535 349278205 /nfs/dbraw/zinc/27/82/05/349278205.db2.gz SPMASEAOOZKCGN-ZDUSSCGKSA-N 1 2 275.373 3.061 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000619715939 349278236 /nfs/dbraw/zinc/27/82/36/349278236.db2.gz BWIKYVBRMSLOCV-QGZVFWFLSA-N 1 2 299.370 3.008 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000619715939 349278241 /nfs/dbraw/zinc/27/82/41/349278241.db2.gz BWIKYVBRMSLOCV-QGZVFWFLSA-N 1 2 299.370 3.008 20 30 CGEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccccc1 ZINC000628140681 350408644 /nfs/dbraw/zinc/40/86/44/350408644.db2.gz UINDUGIBFYRREI-UHFFFAOYSA-N 1 2 255.365 3.215 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000630678282 350869205 /nfs/dbraw/zinc/86/92/05/350869205.db2.gz PLAZNXSFHBTUHW-UHFFFAOYSA-N 1 2 267.332 3.167 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)c2ccn3cc(C)[nH+]c3c2)C1 ZINC000636171254 351728297 /nfs/dbraw/zinc/72/82/97/351728297.db2.gz GTUONYXPVXSUCB-AWEZNQCLSA-N 1 2 283.375 3.071 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000292322004 198243049 /nfs/dbraw/zinc/24/30/49/198243049.db2.gz SZBARIINANWNET-CYBMUJFWSA-N 1 2 298.308 3.100 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C(F)(F)F)O1 ZINC000292322004 198243051 /nfs/dbraw/zinc/24/30/51/198243051.db2.gz SZBARIINANWNET-CYBMUJFWSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@]12CC[N@H+](Cc3ccc(F)cc3C#N)C[C@H]1C2(F)F ZINC000336415726 213272648 /nfs/dbraw/zinc/27/26/48/213272648.db2.gz YUYYXKLJOJSZHH-KGLIPLIRSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@]12CC[N@@H+](Cc3ccc(F)cc3C#N)C[C@H]1C2(F)F ZINC000336415726 213272649 /nfs/dbraw/zinc/27/26/49/213272649.db2.gz YUYYXKLJOJSZHH-KGLIPLIRSA-N 1 2 280.293 3.174 20 30 CGEDLO N#Cc1ccc(C2=CCN(c3cccc[nH+]3)CC2)cc1 ZINC000334412839 283137473 /nfs/dbraw/zinc/13/74/73/283137473.db2.gz VIBLQZZQMHSILM-UHFFFAOYSA-N 1 2 261.328 3.247 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1F ZINC000336239724 213070558 /nfs/dbraw/zinc/07/05/58/213070558.db2.gz NGHDRGHFTPLTMM-MRXNPFEDSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1F ZINC000336239724 213070562 /nfs/dbraw/zinc/07/05/62/213070562.db2.gz NGHDRGHFTPLTMM-MRXNPFEDSA-N 1 2 284.338 3.148 20 30 CGEDLO Cc1cc(N2CCC[C@@H](Oc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425221225 236220987 /nfs/dbraw/zinc/22/09/87/236220987.db2.gz DPMPTNKOPXFTQI-QGZVFWFLSA-N 1 2 293.370 3.310 20 30 CGEDLO CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425248025 236223375 /nfs/dbraw/zinc/22/33/75/236223375.db2.gz QBPFSCXGWVKMGB-PXAZEXFGSA-N 1 2 299.349 3.011 20 30 CGEDLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425533320 236257584 /nfs/dbraw/zinc/25/75/84/236257584.db2.gz KPWBBMOFNJWEQW-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425533320 236257585 /nfs/dbraw/zinc/25/75/85/236257585.db2.gz KPWBBMOFNJWEQW-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO N#Cc1ccc(C[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000341750829 216089636 /nfs/dbraw/zinc/08/96/36/216089636.db2.gz OEKZMYZZJCTLBS-UHFFFAOYSA-N 1 2 264.319 3.425 20 30 CGEDLO N#Cc1ccc(C[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000341750829 216089640 /nfs/dbraw/zinc/08/96/40/216089640.db2.gz OEKZMYZZJCTLBS-UHFFFAOYSA-N 1 2 264.319 3.425 20 30 CGEDLO Cc1cccc(C[NH2+]CC2(C#N)CC2)c1Br ZINC000381581352 799383400 /nfs/dbraw/zinc/38/34/00/799383400.db2.gz AQJQLWGEHYNZQJ-UHFFFAOYSA-N 1 2 279.181 3.151 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451111190 240219364 /nfs/dbraw/zinc/21/93/64/240219364.db2.gz DQPOONYSTCMOLF-OAHLLOKOSA-N 1 2 298.308 3.484 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451111190 240219367 /nfs/dbraw/zinc/21/93/67/240219367.db2.gz DQPOONYSTCMOLF-OAHLLOKOSA-N 1 2 298.308 3.484 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000121182258 370838212 /nfs/dbraw/zinc/83/82/12/370838212.db2.gz OOYMMCYXZJTMNR-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000121182258 370838220 /nfs/dbraw/zinc/83/82/20/370838220.db2.gz OOYMMCYXZJTMNR-UHFFFAOYSA-N 1 2 273.163 3.050 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000451117849 291399052 /nfs/dbraw/zinc/39/90/52/291399052.db2.gz WMWHJNMIZQVRBA-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000451117849 291399053 /nfs/dbraw/zinc/39/90/53/291399053.db2.gz WMWHJNMIZQVRBA-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[N@@H+]1CCCc2cc(NCc3ccc(C#N)o3)ccc21 ZINC000123329590 370911365 /nfs/dbraw/zinc/91/13/65/370911365.db2.gz MXSKMXDMOKZLDA-UHFFFAOYSA-N 1 2 267.332 3.146 20 30 CGEDLO C[N@H+]1CCCc2cc(NCc3ccc(C#N)o3)ccc21 ZINC000123329590 370911372 /nfs/dbraw/zinc/91/13/72/370911372.db2.gz MXSKMXDMOKZLDA-UHFFFAOYSA-N 1 2 267.332 3.146 20 30 CGEDLO CN1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000034790054 368978053 /nfs/dbraw/zinc/97/80/53/368978053.db2.gz XRQURSBECIMJBC-IBGZPJMESA-N 1 2 291.398 3.047 20 30 CGEDLO CN1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000034790054 368978058 /nfs/dbraw/zinc/97/80/58/368978058.db2.gz XRQURSBECIMJBC-IBGZPJMESA-N 1 2 291.398 3.047 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)oc1C ZINC000037909452 369125201 /nfs/dbraw/zinc/12/52/01/369125201.db2.gz MVLJBDROJLBPOH-NSHDSACASA-N 1 2 255.321 3.014 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OC)c1OC(F)F ZINC000127638017 370954628 /nfs/dbraw/zinc/95/46/28/370954628.db2.gz LBMBBVGWSRATOC-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OC)c1OC(F)F ZINC000127638017 370954634 /nfs/dbraw/zinc/95/46/34/370954634.db2.gz LBMBBVGWSRATOC-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(C#N)CC1 ZINC000057878652 369550092 /nfs/dbraw/zinc/55/00/92/369550092.db2.gz GCSXERNKFTYDJO-JTQLQIEISA-N 1 2 288.376 3.095 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Br)s1 ZINC000058575393 369571179 /nfs/dbraw/zinc/57/11/79/369571179.db2.gz KMFKXDSCXYNTSE-QMMMGPOBSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Br)s1 ZINC000058575393 369571185 /nfs/dbraw/zinc/57/11/85/369571185.db2.gz KMFKXDSCXYNTSE-QMMMGPOBSA-N 1 2 273.199 3.245 20 30 CGEDLO C=CCc1cccc(C(C)C)c1NC(=O)Cn1cc[nH+]c1 ZINC000276542265 193374599 /nfs/dbraw/zinc/37/45/99/193374599.db2.gz FGIYJFXLQWLNCR-UHFFFAOYSA-N 1 2 283.375 3.374 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC)nc1 ZINC000085823224 370019395 /nfs/dbraw/zinc/01/93/95/370019395.db2.gz CLFBKYFPSWVGKD-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)nc1 ZINC000085823224 370019401 /nfs/dbraw/zinc/01/94/01/370019401.db2.gz CLFBKYFPSWVGKD-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OCC(C)C ZINC000093090396 370108529 /nfs/dbraw/zinc/10/85/29/370108529.db2.gz SLFGZLXDZYAMJV-CQSZACIVSA-N 1 2 290.407 3.464 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OCC(C)C ZINC000093090396 370108533 /nfs/dbraw/zinc/10/85/33/370108533.db2.gz SLFGZLXDZYAMJV-CQSZACIVSA-N 1 2 290.407 3.464 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)Cc1nccs1 ZINC000093582395 370143362 /nfs/dbraw/zinc/14/33/62/370143362.db2.gz KZQRLORKDMJBBC-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1nccs1 ZINC000093582395 370143369 /nfs/dbraw/zinc/14/33/69/370143369.db2.gz KZQRLORKDMJBBC-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCN(Cc1ccc(Cl)s1)Cc1[nH]cc[nH+]1 ZINC000109826409 370366758 /nfs/dbraw/zinc/36/67/58/370366758.db2.gz RNVKLCPYMCYPCJ-UHFFFAOYSA-N 1 2 267.785 3.313 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000129575066 370993448 /nfs/dbraw/zinc/99/34/48/370993448.db2.gz XWFMFWMJALNERQ-LBPRGKRZSA-N 1 2 255.321 3.076 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000129575066 370993454 /nfs/dbraw/zinc/99/34/54/370993454.db2.gz XWFMFWMJALNERQ-LBPRGKRZSA-N 1 2 255.321 3.076 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N)C1CCCCC1 ZINC000157621675 372029565 /nfs/dbraw/zinc/02/95/65/372029565.db2.gz QDJKKNXVPUMFBG-CABCVRRESA-N 1 2 293.455 3.038 20 30 CGEDLO CCN(C(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N)C1CCCCC1 ZINC000157621675 372029567 /nfs/dbraw/zinc/02/95/67/372029567.db2.gz QDJKKNXVPUMFBG-CABCVRRESA-N 1 2 293.455 3.038 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000158038481 372048273 /nfs/dbraw/zinc/04/82/73/372048273.db2.gz VMUWPSSWWDNTNC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000158038481 372048277 /nfs/dbraw/zinc/04/82/77/372048277.db2.gz VMUWPSSWWDNTNC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C[C@H]1CCC[N@H+](CC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425510798 372129591 /nfs/dbraw/zinc/12/95/91/372129591.db2.gz KRLKUYBBVUVVJS-UONOGXRCSA-N 1 2 292.423 3.122 20 30 CGEDLO C[C@H]1CCC[N@@H+](CC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC000425510798 372129596 /nfs/dbraw/zinc/12/95/96/372129596.db2.gz KRLKUYBBVUVVJS-UONOGXRCSA-N 1 2 292.423 3.122 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ncn1 ZINC000428257224 372185405 /nfs/dbraw/zinc/18/54/05/372185405.db2.gz SFGABIZNRYTKOZ-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ncn1 ZINC000428257224 372185409 /nfs/dbraw/zinc/18/54/09/372185409.db2.gz SFGABIZNRYTKOZ-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1nccs1 ZINC000428399143 372191545 /nfs/dbraw/zinc/19/15/45/372191545.db2.gz MSOJUJIMKCPMSN-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000428407723 372193205 /nfs/dbraw/zinc/19/32/05/372193205.db2.gz REMPGFJIYULUEE-GDBMZVCRSA-N 1 2 275.392 3.462 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc2O1 ZINC000429183788 372319933 /nfs/dbraw/zinc/31/99/33/372319933.db2.gz RTXXARBVJFIFQK-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc2O1 ZINC000429183788 372319937 /nfs/dbraw/zinc/31/99/37/372319937.db2.gz RTXXARBVJFIFQK-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO CC#CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430253709 372388704 /nfs/dbraw/zinc/38/87/04/372388704.db2.gz FTUZLACSEFFOJL-UHFFFAOYSA-N 1 2 287.794 3.099 20 30 CGEDLO CC#CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430253709 372388710 /nfs/dbraw/zinc/38/87/10/372388710.db2.gz FTUZLACSEFFOJL-UHFFFAOYSA-N 1 2 287.794 3.099 20 30 CGEDLO C[C@H]1[N@H+](CC#Cc2cccc(Cl)c2)CCOC1(C)C ZINC000438599060 372968362 /nfs/dbraw/zinc/96/83/62/372968362.db2.gz QNGLGWCAXSPHQS-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H]1[N@@H+](CC#Cc2cccc(Cl)c2)CCOC1(C)C ZINC000438599060 372968372 /nfs/dbraw/zinc/96/83/72/372968372.db2.gz QNGLGWCAXSPHQS-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO CCSCc1cc[nH+]c(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442820596 373095843 /nfs/dbraw/zinc/09/58/43/373095843.db2.gz BZDHMLMDKNEUAF-WCQYABFASA-N 1 2 261.394 3.439 20 30 CGEDLO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000173415771 373137523 /nfs/dbraw/zinc/13/75/23/373137523.db2.gz GCEUOBCSYRFEIU-UHFFFAOYSA-N 1 2 275.352 3.179 20 30 CGEDLO CC1(C)CCC[N@H+](CCc2ccc3c(c2)CCO3)[C@@H]1C#N ZINC000444720744 373250881 /nfs/dbraw/zinc/25/08/81/373250881.db2.gz UOMQMWWSTRMVQS-QGZVFWFLSA-N 1 2 284.403 3.178 20 30 CGEDLO CC1(C)CCC[N@@H+](CCc2ccc3c(c2)CCO3)[C@@H]1C#N ZINC000444720744 373250887 /nfs/dbraw/zinc/25/08/87/373250887.db2.gz UOMQMWWSTRMVQS-QGZVFWFLSA-N 1 2 284.403 3.178 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)o1 ZINC000174410148 373311061 /nfs/dbraw/zinc/31/10/61/373311061.db2.gz XKYFIBSSVZSTLU-UHFFFAOYSA-N 1 2 256.280 3.069 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCc3ncsc3C2)cc1 ZINC000445840776 373317272 /nfs/dbraw/zinc/31/72/72/373317272.db2.gz BMQZESNDKDDAKF-UHFFFAOYSA-N 1 2 288.803 3.206 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCc3ncsc3C2)cc1 ZINC000445840776 373317281 /nfs/dbraw/zinc/31/72/81/373317281.db2.gz BMQZESNDKDDAKF-UHFFFAOYSA-N 1 2 288.803 3.206 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc2ccccc21 ZINC000449013228 373654526 /nfs/dbraw/zinc/65/45/26/373654526.db2.gz BOMQCVKCEIUXCS-CYBMUJFWSA-N 1 2 268.360 3.440 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc2ccccc21 ZINC000449013228 373654531 /nfs/dbraw/zinc/65/45/31/373654531.db2.gz BOMQCVKCEIUXCS-CYBMUJFWSA-N 1 2 268.360 3.440 20 30 CGEDLO C=CC[N@@H+](C)Cc1cccc(F)c1Br ZINC000449259770 373674831 /nfs/dbraw/zinc/67/48/31/373674831.db2.gz SQVROFKRIQFZRP-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO C=CC[N@H+](C)Cc1cccc(F)c1Br ZINC000449259770 373674836 /nfs/dbraw/zinc/67/48/36/373674836.db2.gz SQVROFKRIQFZRP-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)s2)s1 ZINC000179383440 373865420 /nfs/dbraw/zinc/86/54/20/373865420.db2.gz BFWHQYWGHMYFJF-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)s2)s1 ZINC000179383440 373865425 /nfs/dbraw/zinc/86/54/25/373865425.db2.gz BFWHQYWGHMYFJF-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1c(C#N)cccc1NCc1cccc2[nH+]ccn21 ZINC000181457100 374126615 /nfs/dbraw/zinc/12/66/15/374126615.db2.gz XBPGAGCQAHPLGO-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO C=C(Br)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000181609134 374146326 /nfs/dbraw/zinc/14/63/26/374146326.db2.gz WQBANLMXDUUFCP-JTQLQIEISA-N 1 2 287.226 3.401 20 30 CGEDLO Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)n1 ZINC000328801398 374383585 /nfs/dbraw/zinc/38/35/85/374383585.db2.gz ZGWFPRRHKAMDPC-ZDUSSCGKSA-N 1 2 297.362 3.305 20 30 CGEDLO C[C@H]([NH2+]CCCC#N)c1nc(C2CCCCC2)no1 ZINC000185241248 374618027 /nfs/dbraw/zinc/61/80/27/374618027.db2.gz NNUODJBELBULOM-NSHDSACASA-N 1 2 262.357 3.072 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000491618366 375337841 /nfs/dbraw/zinc/33/78/41/375337841.db2.gz AYCFKARGGXOJML-JTQLQIEISA-N 1 2 260.362 3.165 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000491618366 375337844 /nfs/dbraw/zinc/33/78/44/375337844.db2.gz AYCFKARGGXOJML-JTQLQIEISA-N 1 2 260.362 3.165 20 30 CGEDLO CO[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1C ZINC000189301047 375361635 /nfs/dbraw/zinc/36/16/35/375361635.db2.gz QLDBFNMWSONUIJ-ABAIWWIYSA-N 1 2 278.783 3.068 20 30 CGEDLO CO[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1C ZINC000189301047 375361640 /nfs/dbraw/zinc/36/16/40/375361640.db2.gz QLDBFNMWSONUIJ-ABAIWWIYSA-N 1 2 278.783 3.068 20 30 CGEDLO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1cccc(C#N)c1 ZINC000189826263 375451705 /nfs/dbraw/zinc/45/17/05/375451705.db2.gz ORZWKVKUHFULON-JTQLQIEISA-N 1 2 295.371 3.088 20 30 CGEDLO N#Cc1ccc(COc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000190088744 375476465 /nfs/dbraw/zinc/47/64/65/375476465.db2.gz WTPUDLUCUUJWEA-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO C=CCC1(CNC(=O)/C=C\c2[nH+]ccn2CC)CCCC1 ZINC000493636633 375476966 /nfs/dbraw/zinc/47/69/66/375476966.db2.gz YPEQADHAROLCKM-FPLPWBNLSA-N 1 2 287.407 3.169 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000504095146 375653169 /nfs/dbraw/zinc/65/31/69/375653169.db2.gz PKMJFWVHKWHJHI-CQSZACIVSA-N 1 2 274.408 3.454 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1cccc(C(C)(C)C)c1 ZINC000504095146 375653172 /nfs/dbraw/zinc/65/31/72/375653172.db2.gz PKMJFWVHKWHJHI-CQSZACIVSA-N 1 2 274.408 3.454 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000336111528 375693478 /nfs/dbraw/zinc/69/34/78/375693478.db2.gz HJYWWDYATWOGNA-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000336111528 375693482 /nfs/dbraw/zinc/69/34/82/375693482.db2.gz HJYWWDYATWOGNA-MRXNPFEDSA-N 1 2 269.323 3.363 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000192072996 375696409 /nfs/dbraw/zinc/69/64/09/375696409.db2.gz BNDFJRFOBVHRQY-INIZCTEOSA-N 1 2 283.396 3.173 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000192072996 375696416 /nfs/dbraw/zinc/69/64/16/375696416.db2.gz BNDFJRFOBVHRQY-INIZCTEOSA-N 1 2 283.396 3.173 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000192070746 375696928 /nfs/dbraw/zinc/69/69/28/375696928.db2.gz ZGZYRYOJHMRJID-JTQLQIEISA-N 1 2 270.735 3.092 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000192070746 375696936 /nfs/dbraw/zinc/69/69/36/375696936.db2.gz ZGZYRYOJHMRJID-JTQLQIEISA-N 1 2 270.735 3.092 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccnc1OC ZINC000193314759 375858696 /nfs/dbraw/zinc/85/86/96/375858696.db2.gz FJEAQRQPQASXPQ-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccnc1OC ZINC000193314759 375858711 /nfs/dbraw/zinc/85/87/11/375858711.db2.gz FJEAQRQPQASXPQ-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529524963 375927866 /nfs/dbraw/zinc/92/78/66/375927866.db2.gz MQEZXKPKRFXACJ-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529524963 375927876 /nfs/dbraw/zinc/92/78/76/375927876.db2.gz MQEZXKPKRFXACJ-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)CC1(F)F ZINC000337232456 376152287 /nfs/dbraw/zinc/15/22/87/376152287.db2.gz JPLHMKZCXBDBGV-CYBMUJFWSA-N 1 2 286.366 3.064 20 30 CGEDLO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC1(F)F ZINC000337232456 376152295 /nfs/dbraw/zinc/15/22/95/376152295.db2.gz JPLHMKZCXBDBGV-CYBMUJFWSA-N 1 2 286.366 3.064 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000264506874 190114609 /nfs/dbraw/zinc/11/46/09/190114609.db2.gz WRGBXXKWIIDFBJ-GFCCVEGCSA-N 1 2 278.783 3.319 20 30 CGEDLO C=C(C)[C@@H](CC(=O)Nc1ccccc1-n1cc[nH+]c1)OCC ZINC000339424755 376753541 /nfs/dbraw/zinc/75/35/41/376753541.db2.gz VGQRJRASXKUHNY-MRXNPFEDSA-N 1 2 299.374 3.182 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1F ZINC000339769613 376837856 /nfs/dbraw/zinc/83/78/56/376837856.db2.gz PQALTLDHQYXRDS-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1F ZINC000339769613 376837858 /nfs/dbraw/zinc/83/78/58/376837858.db2.gz PQALTLDHQYXRDS-INIZCTEOSA-N 1 2 288.366 3.088 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000566628880 377498826 /nfs/dbraw/zinc/49/88/26/377498826.db2.gz UYATZVSYWYMBAM-IRXDYDNUSA-N 1 2 299.418 3.022 20 30 CGEDLO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](CC)CC#N)cc1 ZINC000568879751 377523194 /nfs/dbraw/zinc/52/31/94/377523194.db2.gz LFFRBTUCYRPIFS-UKRRQHHQSA-N 1 2 287.407 3.420 20 30 CGEDLO COc1cncc(/C=C/CC[N@H+](CC#N)C2CCCC2)c1 ZINC000568260416 377517252 /nfs/dbraw/zinc/51/72/52/377517252.db2.gz XHSYVECWCXENAB-GQCTYLIASA-N 1 2 285.391 3.262 20 30 CGEDLO COc1cncc(/C=C/CC[N@@H+](CC#N)C2CCCC2)c1 ZINC000568260416 377517262 /nfs/dbraw/zinc/51/72/62/377517262.db2.gz XHSYVECWCXENAB-GQCTYLIASA-N 1 2 285.391 3.262 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249881317 377538045 /nfs/dbraw/zinc/53/80/45/377538045.db2.gz NQHLQAIBXJYJQC-KGLIPLIRSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249881317 377538051 /nfs/dbraw/zinc/53/80/51/377538051.db2.gz NQHLQAIBXJYJQC-KGLIPLIRSA-N 1 2 287.407 3.058 20 30 CGEDLO Cn1cc[nH+]c1[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000514880133 249192584 /nfs/dbraw/zinc/19/25/84/249192584.db2.gz HWIDUDURRLCUHE-KRWDZBQOSA-N 1 2 288.354 3.493 20 30 CGEDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cccc(C#N)c1 ZINC000515595352 249215802 /nfs/dbraw/zinc/21/58/02/249215802.db2.gz BUVGTMJPUKDJMS-SNVBAGLBSA-N 1 2 284.388 3.138 20 30 CGEDLO C[C@@H](CCSc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC000573882286 377587815 /nfs/dbraw/zinc/58/78/15/377587815.db2.gz WTYHOPSJJKAESX-ZDUSSCGKSA-N 1 2 260.406 3.403 20 30 CGEDLO C=C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000264421664 377983835 /nfs/dbraw/zinc/98/38/35/377983835.db2.gz AFKYNONEIIQEHJ-UHFFFAOYSA-N 1 2 254.333 3.494 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000344066346 378157672 /nfs/dbraw/zinc/15/76/72/378157672.db2.gz QHUPBQRPRXXHIR-KRWDZBQOSA-N 1 2 283.375 3.091 20 30 CGEDLO CCc1cnc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000269435798 378221474 /nfs/dbraw/zinc/22/14/74/378221474.db2.gz QUWOGKJBHKJOBG-UHFFFAOYSA-N 1 2 275.352 3.006 20 30 CGEDLO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)CC(F)F ZINC000269010778 378174413 /nfs/dbraw/zinc/17/44/13/378174413.db2.gz UYXVAVNOCJFVPJ-UHFFFAOYSA-N 1 2 268.307 3.064 20 30 CGEDLO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)CC(F)F ZINC000269010778 378174418 /nfs/dbraw/zinc/17/44/18/378174418.db2.gz UYXVAVNOCJFVPJ-UHFFFAOYSA-N 1 2 268.307 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000269644942 378248834 /nfs/dbraw/zinc/24/88/34/378248834.db2.gz OYTRVNMCQSPUMR-AWEZNQCLSA-N 1 2 275.783 3.463 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000269644942 378248837 /nfs/dbraw/zinc/24/88/37/378248837.db2.gz OYTRVNMCQSPUMR-AWEZNQCLSA-N 1 2 275.783 3.463 20 30 CGEDLO CCCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000271123576 378458543 /nfs/dbraw/zinc/45/85/43/378458543.db2.gz JFGLCGNEJKVDFT-ZDUSSCGKSA-N 1 2 276.380 3.075 20 30 CGEDLO CCCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OC ZINC000271123576 378458547 /nfs/dbraw/zinc/45/85/47/378458547.db2.gz JFGLCGNEJKVDFT-ZDUSSCGKSA-N 1 2 276.380 3.075 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCO[C@H](C(C)C)C2)c1O ZINC000271292675 378490240 /nfs/dbraw/zinc/49/02/40/378490240.db2.gz GFYAPYRPTAGYQU-KIHCMGJVSA-N 1 2 291.391 3.413 20 30 CGEDLO Cn1c(Cl)cnc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000271828997 378510623 /nfs/dbraw/zinc/51/06/23/378510623.db2.gz WHGUDEAVSBRPPA-ZDUSSCGKSA-N 1 2 288.782 3.208 20 30 CGEDLO C=C1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000346959379 378697687 /nfs/dbraw/zinc/69/76/87/378697687.db2.gz IMVCZQFTUTWFAT-LBPRGKRZSA-N 1 2 266.410 3.393 20 30 CGEDLO C=CCOCCCN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000348028222 378758362 /nfs/dbraw/zinc/75/83/62/378758362.db2.gz CPAWYULCEYEIKS-HNNXBMFYSA-N 1 2 294.464 3.019 20 30 CGEDLO Cc1ccc2[nH+]c(/C=C\c3ccncc3C#N)cn2c1 ZINC000349107062 379161399 /nfs/dbraw/zinc/16/13/99/379161399.db2.gz JMFAJJKSEJIROJ-ARJAWSKDSA-N 1 2 260.300 3.080 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000279471382 379442159 /nfs/dbraw/zinc/44/21/59/379442159.db2.gz VNJKKPULRZPHDH-YOEHRIQHSA-N 1 2 297.402 3.255 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000279471382 379442166 /nfs/dbraw/zinc/44/21/66/379442166.db2.gz VNJKKPULRZPHDH-YOEHRIQHSA-N 1 2 297.402 3.255 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000375285771 379489619 /nfs/dbraw/zinc/48/96/19/379489619.db2.gz FLAZBNINTHENSL-SJORKVTESA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000375285771 379489626 /nfs/dbraw/zinc/48/96/26/379489626.db2.gz FLAZBNINTHENSL-SJORKVTESA-N 1 2 295.361 3.492 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375685721 379503629 /nfs/dbraw/zinc/50/36/29/379503629.db2.gz UFXWVJWMSGCFDJ-HNNXBMFYSA-N 1 2 279.387 3.367 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375685721 379503638 /nfs/dbraw/zinc/50/36/38/379503638.db2.gz UFXWVJWMSGCFDJ-HNNXBMFYSA-N 1 2 279.387 3.367 20 30 CGEDLO COc1cc2c(cc1F)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000347664170 218313501 /nfs/dbraw/zinc/31/35/01/218313501.db2.gz DMKFJCYDRBMNIS-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc2c(cc1F)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000347664170 218313503 /nfs/dbraw/zinc/31/35/03/218313503.db2.gz DMKFJCYDRBMNIS-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530129 379573903 /nfs/dbraw/zinc/57/39/03/379573903.db2.gz XWMVDLPOPYGURV-SNVBAGLBSA-N 1 2 289.301 3.278 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530129 379573915 /nfs/dbraw/zinc/57/39/15/379573915.db2.gz XWMVDLPOPYGURV-SNVBAGLBSA-N 1 2 289.301 3.278 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000347678222 218318675 /nfs/dbraw/zinc/31/86/75/218318675.db2.gz LZKWEAJXCZMNQO-UHFFFAOYSA-N 1 2 291.358 3.101 20 30 CGEDLO C=CC[C@H](CC)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000280971988 379811024 /nfs/dbraw/zinc/81/10/24/379811024.db2.gz AJIVEFDVHCSZNQ-INIZCTEOSA-N 1 2 283.375 3.016 20 30 CGEDLO CSCc1cnc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000352858500 380008342 /nfs/dbraw/zinc/00/83/42/380008342.db2.gz DIDOIXNCOYEISX-UHFFFAOYSA-N 1 2 281.450 3.132 20 30 CGEDLO C=CCCCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000268025078 190370099 /nfs/dbraw/zinc/37/00/99/190370099.db2.gz DIOSGIKMNRGJEQ-UHFFFAOYSA-N 1 2 287.338 3.438 20 30 CGEDLO C=CCCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000410872712 380120556 /nfs/dbraw/zinc/12/05/56/380120556.db2.gz AMQAGQCBVGBKOC-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C(=O)OC)c1ccccc1 ZINC000411491215 380148920 /nfs/dbraw/zinc/14/89/20/380148920.db2.gz NXABMTOUZTZWGK-QGZVFWFLSA-N 1 2 299.370 3.224 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C(=O)OC)c1ccccc1 ZINC000411491215 380148925 /nfs/dbraw/zinc/14/89/25/380148925.db2.gz NXABMTOUZTZWGK-QGZVFWFLSA-N 1 2 299.370 3.224 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000411168201 380132342 /nfs/dbraw/zinc/13/23/42/380132342.db2.gz ZQYIXFJHMIOPEE-LLVKDONJSA-N 1 2 296.773 3.480 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354019331 380282777 /nfs/dbraw/zinc/28/27/77/380282777.db2.gz XCPNMIBZDGDFIN-UHFFFAOYSA-N 1 2 276.428 3.237 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000354019331 380282787 /nfs/dbraw/zinc/28/27/87/380282787.db2.gz XCPNMIBZDGDFIN-UHFFFAOYSA-N 1 2 276.428 3.237 20 30 CGEDLO COc1ccc(OC(F)F)c(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354038350 380292647 /nfs/dbraw/zinc/29/26/47/380292647.db2.gz KTXUGWIXKRSWHS-UHFFFAOYSA-N 1 2 298.333 3.278 20 30 CGEDLO COc1ccc(OC(F)F)c(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354038350 380292653 /nfs/dbraw/zinc/29/26/53/380292653.db2.gz KTXUGWIXKRSWHS-UHFFFAOYSA-N 1 2 298.333 3.278 20 30 CGEDLO CC#CC[N@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000419278388 380792183 /nfs/dbraw/zinc/79/21/83/380792183.db2.gz HJNJWPYBYZFPFR-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cc(-c2ccccc2Cl)on1 ZINC000419278388 380792188 /nfs/dbraw/zinc/79/21/88/380792188.db2.gz HJNJWPYBYZFPFR-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC(=O)c1ccc(C#N)c(NCc2ccn3cc[nH+]c3c2)c1 ZINC000357432035 381155577 /nfs/dbraw/zinc/15/55/77/381155577.db2.gz DMFWJRRKNLINGV-UHFFFAOYSA-N 1 2 290.326 3.021 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000358297523 381302115 /nfs/dbraw/zinc/30/21/15/381302115.db2.gz KUKKFHPFKOHXPO-LBPRGKRZSA-N 1 2 286.297 3.410 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000362230402 381913238 /nfs/dbraw/zinc/91/32/38/381913238.db2.gz MXWPLAPMICVFPF-CYBMUJFWSA-N 1 2 269.348 3.413 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC(F)F ZINC000364278076 382268061 /nfs/dbraw/zinc/26/80/61/382268061.db2.gz BMALLGQZOSLVPK-LSDHHAIUSA-N 1 2 294.345 3.040 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC(F)F ZINC000364278076 382268067 /nfs/dbraw/zinc/26/80/67/382268067.db2.gz BMALLGQZOSLVPK-LSDHHAIUSA-N 1 2 294.345 3.040 20 30 CGEDLO COc1ccccc1[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425236298 533026978 /nfs/dbraw/zinc/02/69/78/533026978.db2.gz PWWJRBSDRUCWHG-AWEZNQCLSA-N 1 2 293.370 3.264 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(c3ccsc3)CC2)n1 ZINC000335371698 208300369 /nfs/dbraw/zinc/30/03/69/208300369.db2.gz NCLDBWDYAAANSB-UHFFFAOYSA-N 1 2 289.429 3.456 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000027775351 391952380 /nfs/dbraw/zinc/95/23/80/391952380.db2.gz XOTIDZMPHFYWIH-UHFFFAOYSA-N 1 2 298.361 3.452 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000027775351 391952385 /nfs/dbraw/zinc/95/23/85/391952385.db2.gz XOTIDZMPHFYWIH-UHFFFAOYSA-N 1 2 298.361 3.452 20 30 CGEDLO CCCc1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000058397217 392114454 /nfs/dbraw/zinc/11/44/54/392114454.db2.gz YIFLMTMZAJVZNW-UHFFFAOYSA-N 1 2 298.390 3.304 20 30 CGEDLO CCCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000058397217 392114457 /nfs/dbraw/zinc/11/44/57/392114457.db2.gz YIFLMTMZAJVZNW-UHFFFAOYSA-N 1 2 298.390 3.304 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285329853 392323832 /nfs/dbraw/zinc/32/38/32/392323832.db2.gz JPUILJQPNPCLNX-INIZCTEOSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000285329853 392323836 /nfs/dbraw/zinc/32/38/36/392323836.db2.gz JPUILJQPNPCLNX-INIZCTEOSA-N 1 2 266.348 3.009 20 30 CGEDLO C=C(Br)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263733664 131318590 /nfs/dbraw/zinc/31/85/90/131318590.db2.gz SXUKZVDLZZLMDU-CQSZACIVSA-N 1 2 296.208 3.141 20 30 CGEDLO C=C(Br)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263733664 131318591 /nfs/dbraw/zinc/31/85/91/131318591.db2.gz SXUKZVDLZZLMDU-CQSZACIVSA-N 1 2 296.208 3.141 20 30 CGEDLO C=C(Br)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263733662 131318733 /nfs/dbraw/zinc/31/87/33/131318733.db2.gz SXUKZVDLZZLMDU-AWEZNQCLSA-N 1 2 296.208 3.141 20 30 CGEDLO C=C(Br)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263733662 131318735 /nfs/dbraw/zinc/31/87/35/131318735.db2.gz SXUKZVDLZZLMDU-AWEZNQCLSA-N 1 2 296.208 3.141 20 30 CGEDLO CN(CCC#N)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000121565796 392413906 /nfs/dbraw/zinc/41/39/06/392413906.db2.gz IDLIPNWTKUWFBA-UHFFFAOYSA-N 1 2 266.348 3.044 20 30 CGEDLO N#CCCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000177834425 392668828 /nfs/dbraw/zinc/66/88/28/392668828.db2.gz XJASNYISSLMVAG-UHFFFAOYSA-N 1 2 252.308 3.448 20 30 CGEDLO N#CCCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000177834425 392668832 /nfs/dbraw/zinc/66/88/32/392668832.db2.gz XJASNYISSLMVAG-UHFFFAOYSA-N 1 2 252.308 3.448 20 30 CGEDLO CC1(C)CC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000329527716 392686038 /nfs/dbraw/zinc/68/60/38/392686038.db2.gz SEGLKPBCYNMECA-LBPRGKRZSA-N 1 2 272.352 3.048 20 30 CGEDLO CCC[N@H+](CC#N)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000303917177 392627488 /nfs/dbraw/zinc/62/74/88/392627488.db2.gz NYSANTGMQIBNFI-GJZGRUSLSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[N@@H+](CC#N)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000303917177 392627489 /nfs/dbraw/zinc/62/74/89/392627489.db2.gz NYSANTGMQIBNFI-GJZGRUSLSA-N 1 2 264.413 3.350 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1nccn1C(F)F ZINC000186168382 392778074 /nfs/dbraw/zinc/77/80/74/392778074.db2.gz RTJGJCAUIUIXEE-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1nccn1C(F)F ZINC000186168382 392778077 /nfs/dbraw/zinc/77/80/77/392778077.db2.gz RTJGJCAUIUIXEE-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO C=CC[N@@H+](C)Cc1c(F)ccc(Br)c1F ZINC000337441320 392886528 /nfs/dbraw/zinc/88/65/28/392886528.db2.gz ZRVSDZQYRFAJET-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO C=CC[N@H+](C)Cc1c(F)ccc(Br)c1F ZINC000337441320 392886535 /nfs/dbraw/zinc/88/65/35/392886535.db2.gz ZRVSDZQYRFAJET-UHFFFAOYSA-N 1 2 276.124 3.345 20 30 CGEDLO CCOc1ccccc1OCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338382183 392914143 /nfs/dbraw/zinc/91/41/43/392914143.db2.gz WIEBMWSEDREEDM-AWEZNQCLSA-N 1 2 288.391 3.088 20 30 CGEDLO CCOc1ccccc1OCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338382183 392914150 /nfs/dbraw/zinc/91/41/50/392914150.db2.gz WIEBMWSEDREEDM-AWEZNQCLSA-N 1 2 288.391 3.088 20 30 CGEDLO Cc1[nH]ncc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000336445721 392856375 /nfs/dbraw/zinc/85/63/75/392856375.db2.gz XWEASKIGDOJBJQ-KRWDZBQOSA-N 1 2 280.375 3.147 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000348719289 393129408 /nfs/dbraw/zinc/12/94/08/393129408.db2.gz ZWFZDQAZOHVTNO-UHFFFAOYSA-N 1 2 258.749 3.229 20 30 CGEDLO CC(C)c1ncc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000348710230 393129522 /nfs/dbraw/zinc/12/95/22/393129522.db2.gz ODKMGTXYIQFOJT-UHFFFAOYSA-N 1 2 267.373 3.094 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000348836545 393132340 /nfs/dbraw/zinc/13/23/40/393132340.db2.gz DACIXZMSVPOPHV-CQSZACIVSA-N 1 2 267.319 3.481 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000348836545 393132344 /nfs/dbraw/zinc/13/23/44/393132344.db2.gz DACIXZMSVPOPHV-CQSZACIVSA-N 1 2 267.319 3.481 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000348957564 393135973 /nfs/dbraw/zinc/13/59/73/393135973.db2.gz QFNOJPXGUKNVAR-LBPRGKRZSA-N 1 2 274.339 3.023 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000348957564 393135979 /nfs/dbraw/zinc/13/59/79/393135979.db2.gz QFNOJPXGUKNVAR-LBPRGKRZSA-N 1 2 274.339 3.023 20 30 CGEDLO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1F ZINC000258910388 393138126 /nfs/dbraw/zinc/13/81/26/393138126.db2.gz MCTDXSABJSRNEJ-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1F ZINC000258910388 393138128 /nfs/dbraw/zinc/13/81/28/393138128.db2.gz MCTDXSABJSRNEJ-UHFFFAOYSA-N 1 2 264.344 3.206 20 30 CGEDLO C=CC[N@@H+](Cc1cc2n(n1)CCC2)Cc1cccs1 ZINC000649476105 393442251 /nfs/dbraw/zinc/44/22/51/393442251.db2.gz WRYWBUISJZYDAT-UHFFFAOYSA-N 1 2 273.405 3.079 20 30 CGEDLO C=CC[N@H+](Cc1cc2n(n1)CCC2)Cc1cccs1 ZINC000649476105 393442253 /nfs/dbraw/zinc/44/22/53/393442253.db2.gz WRYWBUISJZYDAT-UHFFFAOYSA-N 1 2 273.405 3.079 20 30 CGEDLO CC[C@@H]1C[NH+](Cc2ccc(F)cc2C#N)C[C@@H](CC)O1 ZINC000420966354 393561994 /nfs/dbraw/zinc/56/19/94/393561994.db2.gz ZLZINLQWZPWKTK-HZPDHXFCSA-N 1 2 276.355 3.087 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000666975520 542831869 /nfs/dbraw/zinc/83/18/69/542831869.db2.gz QWFWMWDXBGOYMM-CYBMUJFWSA-N 1 2 284.363 3.154 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667960689 542950758 /nfs/dbraw/zinc/95/07/58/542950758.db2.gz UCRGTYUTDDYXDS-OKILXGFUSA-N 1 2 296.374 3.358 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668163084 542978739 /nfs/dbraw/zinc/97/87/39/542978739.db2.gz RPYBJFIHZFARIC-GFCCVEGCSA-N 1 2 272.352 3.119 20 30 CGEDLO COCC#CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000677133437 543435524 /nfs/dbraw/zinc/43/55/24/543435524.db2.gz VJXLVYISZPEDNO-OAHLLOKOSA-N 1 2 295.835 3.080 20 30 CGEDLO COCC#CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000677133437 543435525 /nfs/dbraw/zinc/43/55/25/543435525.db2.gz VJXLVYISZPEDNO-OAHLLOKOSA-N 1 2 295.835 3.080 20 30 CGEDLO COCC#CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000678173846 543491594 /nfs/dbraw/zinc/49/15/94/543491594.db2.gz RDRNUTLHWYXMFM-UHFFFAOYSA-N 1 2 275.779 3.079 20 30 CGEDLO COCC#CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000678173846 543491595 /nfs/dbraw/zinc/49/15/95/543491595.db2.gz RDRNUTLHWYXMFM-UHFFFAOYSA-N 1 2 275.779 3.079 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000678331924 543515050 /nfs/dbraw/zinc/51/50/50/543515050.db2.gz BQWVCRSEJKVGGY-CQSZACIVSA-N 1 2 267.376 3.310 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000678331924 543515052 /nfs/dbraw/zinc/51/50/52/543515052.db2.gz BQWVCRSEJKVGGY-CQSZACIVSA-N 1 2 267.376 3.310 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000080311480 165153384 /nfs/dbraw/zinc/15/33/84/165153384.db2.gz HSTQLTKEURKFQL-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000680105310 543685114 /nfs/dbraw/zinc/68/51/14/543685114.db2.gz KXINRFNSMSOZOD-INIZCTEOSA-N 1 2 274.339 3.024 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000680105310 543685118 /nfs/dbraw/zinc/68/51/18/543685118.db2.gz KXINRFNSMSOZOD-INIZCTEOSA-N 1 2 274.339 3.024 20 30 CGEDLO C=C(C)CN(C)c1cc(C)nc([C@@H](C)[N@H+](C)CC(=C)C)n1 ZINC000679935822 543669231 /nfs/dbraw/zinc/66/92/31/543669231.db2.gz QAGPOBFPEKDRSU-OAHLLOKOSA-N 1 2 288.439 3.366 20 30 CGEDLO C=C(C)CN(C)c1cc(C)nc([C@@H](C)[N@@H+](C)CC(=C)C)n1 ZINC000679935822 543669234 /nfs/dbraw/zinc/66/92/34/543669234.db2.gz QAGPOBFPEKDRSU-OAHLLOKOSA-N 1 2 288.439 3.366 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981515 419033680 /nfs/dbraw/zinc/03/36/80/419033680.db2.gz COFCCCZSFHZHMX-HNNXBMFYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)nn1 ZINC000653484441 419036374 /nfs/dbraw/zinc/03/63/74/419036374.db2.gz JUJFMZUWCYHKNQ-LBPRGKRZSA-N 1 2 288.420 3.035 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCc3sccc3[C@@H]2C)nn1 ZINC000653484441 419036376 /nfs/dbraw/zinc/03/63/76/419036376.db2.gz JUJFMZUWCYHKNQ-LBPRGKRZSA-N 1 2 288.420 3.035 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H](C)COC ZINC000661239311 419243537 /nfs/dbraw/zinc/24/35/37/419243537.db2.gz FEGXJSDBJNZNCU-VIFPVBQESA-N 1 2 294.342 3.185 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H](C)COC ZINC000661239311 419243538 /nfs/dbraw/zinc/24/35/38/419243538.db2.gz FEGXJSDBJNZNCU-VIFPVBQESA-N 1 2 294.342 3.185 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000661329866 419251031 /nfs/dbraw/zinc/25/10/31/419251031.db2.gz FNRWUAUPRFKHHU-IYBDPMFKSA-N 1 2 285.391 3.091 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000331381666 228096953 /nfs/dbraw/zinc/09/69/53/228096953.db2.gz GUDVRTZPOGTATE-GWCFXTLKSA-N 1 2 273.361 3.185 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000356101267 228120666 /nfs/dbraw/zinc/12/06/66/228120666.db2.gz QJRYZIRNNAIYOL-UHFFFAOYSA-N 1 2 294.383 3.051 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000356101267 228120668 /nfs/dbraw/zinc/12/06/68/228120668.db2.gz QJRYZIRNNAIYOL-UHFFFAOYSA-N 1 2 294.383 3.051 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000332384394 228157478 /nfs/dbraw/zinc/15/74/78/228157478.db2.gz INRFFRBLTQUSAB-UONOGXRCSA-N 1 2 270.380 3.176 20 30 CGEDLO C=CC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662101328 419335686 /nfs/dbraw/zinc/33/56/86/419335686.db2.gz RDNIEDOAXVYHCQ-GFCCVEGCSA-N 1 2 252.155 3.382 20 30 CGEDLO C=CC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662101328 419335688 /nfs/dbraw/zinc/33/56/88/419335688.db2.gz RDNIEDOAXVYHCQ-GFCCVEGCSA-N 1 2 252.155 3.382 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000352086441 228181222 /nfs/dbraw/zinc/18/12/22/228181222.db2.gz CESWTTSJKMOWFB-JTQLQIEISA-N 1 2 277.418 3.463 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000352086441 228181223 /nfs/dbraw/zinc/18/12/23/228181223.db2.gz CESWTTSJKMOWFB-JTQLQIEISA-N 1 2 277.418 3.463 20 30 CGEDLO COc1cccc(C[N@H+](C)C[C@H](C)C#N)c1OC(C)C ZINC000352098091 228182626 /nfs/dbraw/zinc/18/26/26/228182626.db2.gz ZXJPTPHKJMQXQZ-CYBMUJFWSA-N 1 2 276.380 3.074 20 30 CGEDLO COc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1OC(C)C ZINC000352098091 228182627 /nfs/dbraw/zinc/18/26/27/228182627.db2.gz ZXJPTPHKJMQXQZ-CYBMUJFWSA-N 1 2 276.380 3.074 20 30 CGEDLO N#C[C@H]1[N@H+](CCC2CCCC2)CCC[C@@]12CCCCO2 ZINC000447912476 260163356 /nfs/dbraw/zinc/16/33/56/260163356.db2.gz KDMOGCVUNPBHEJ-SJORKVTESA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@H]1[N@@H+](CCC2CCCC2)CCC[C@@]12CCCCO2 ZINC000447912476 260163357 /nfs/dbraw/zinc/16/33/57/260163357.db2.gz KDMOGCVUNPBHEJ-SJORKVTESA-N 1 2 276.424 3.494 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000299199572 260173898 /nfs/dbraw/zinc/17/38/98/260173898.db2.gz FOCNJSKKGCMDRX-SNVBAGLBSA-N 1 2 293.754 3.148 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000517957689 260328839 /nfs/dbraw/zinc/32/88/39/260328839.db2.gz UTTUOLOZXBKBHX-JTQLQIEISA-N 1 2 261.350 3.185 20 30 CGEDLO CCOc1ccc(C2=CC[N@H+](CCC#N)CC2)cc1 ZINC000091811291 260485880 /nfs/dbraw/zinc/48/58/80/260485880.db2.gz SDDVUGHPVYLZIP-UHFFFAOYSA-N 1 2 256.349 3.088 20 30 CGEDLO CCOc1ccc(C2=CC[N@@H+](CCC#N)CC2)cc1 ZINC000091811291 260485881 /nfs/dbraw/zinc/48/58/81/260485881.db2.gz SDDVUGHPVYLZIP-UHFFFAOYSA-N 1 2 256.349 3.088 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000161776493 261260116 /nfs/dbraw/zinc/26/01/16/261260116.db2.gz FCQNQMIDZKEEMX-GFCCVEGCSA-N 1 2 291.420 3.194 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000161776493 261260117 /nfs/dbraw/zinc/26/01/17/261260117.db2.gz FCQNQMIDZKEEMX-GFCCVEGCSA-N 1 2 291.420 3.194 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177018000 261325125 /nfs/dbraw/zinc/32/51/25/261325125.db2.gz DSDGCBJNBYATHN-HNNXBMFYSA-N 1 2 297.320 3.168 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177018000 261325127 /nfs/dbraw/zinc/32/51/27/261325127.db2.gz DSDGCBJNBYATHN-HNNXBMFYSA-N 1 2 297.320 3.168 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1Br ZINC000184085371 262008338 /nfs/dbraw/zinc/00/83/38/262008338.db2.gz KNRSCOPBXSSFSH-LLVKDONJSA-N 1 2 297.196 3.240 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000185730124 262068839 /nfs/dbraw/zinc/06/88/39/262068839.db2.gz MSXOOSFVEDGOOB-JLJPHGGASA-N 1 2 286.375 3.349 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(C(F)(F)F)cn1)CC1CC1 ZINC000277590783 263042108 /nfs/dbraw/zinc/04/21/08/263042108.db2.gz DGDKXMRSSIDPGH-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(C(F)(F)F)cn1)CC1CC1 ZINC000277590783 263042109 /nfs/dbraw/zinc/04/21/09/263042109.db2.gz DGDKXMRSSIDPGH-UHFFFAOYSA-N 1 2 283.297 3.226 20 30 CGEDLO COc1cc(Cl)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000280485183 263062164 /nfs/dbraw/zinc/06/21/64/263062164.db2.gz OHGASCQKLBEAKB-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO COc1cc(Cl)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000280485183 263062165 /nfs/dbraw/zinc/06/21/65/263062165.db2.gz OHGASCQKLBEAKB-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO C[C@H](/[NH+]=C/c1c(O)ccc2ccccc21)[C@@H]1CCOC1 ZINC000280967402 263065453 /nfs/dbraw/zinc/06/54/53/263065453.db2.gz IWLDKTVCPQLFGA-RPEFPMCLSA-N 1 2 269.344 3.389 20 30 CGEDLO CC(C)(C#N)CC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000288783392 263105967 /nfs/dbraw/zinc/10/59/67/263105967.db2.gz WPGTXLHEDFSIOT-UHFFFAOYSA-N 1 2 254.337 3.224 20 30 CGEDLO CC(C)(C)c1cc(C[NH+]2CCC(C)(C#N)CC2)no1 ZINC000289479483 263110463 /nfs/dbraw/zinc/11/04/63/263110463.db2.gz ICRJNZIKBDQCCS-UHFFFAOYSA-N 1 2 261.369 3.098 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC000292091865 263128189 /nfs/dbraw/zinc/12/81/89/263128189.db2.gz FNWUQLODFFVTAD-UHFFFAOYSA-N 1 2 296.317 3.198 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(OC)c1 ZINC000292091865 263128190 /nfs/dbraw/zinc/12/81/90/263128190.db2.gz FNWUQLODFFVTAD-UHFFFAOYSA-N 1 2 296.317 3.198 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC(C)C)cc1 ZINC000292123847 263128616 /nfs/dbraw/zinc/12/86/16/263128616.db2.gz IFLMTQMNVKZRMZ-UHFFFAOYSA-N 1 2 258.365 3.375 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC(C)C)cc1 ZINC000292123847 263128617 /nfs/dbraw/zinc/12/86/17/263128617.db2.gz IFLMTQMNVKZRMZ-UHFFFAOYSA-N 1 2 258.365 3.375 20 30 CGEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(Cl)c1O ZINC000297582395 263206426 /nfs/dbraw/zinc/20/64/26/263206426.db2.gz DPQIQVHCMRSEBR-JTQLQIEISA-N 1 2 282.771 3.178 20 30 CGEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(Cl)c1O ZINC000297582395 263206427 /nfs/dbraw/zinc/20/64/27/263206427.db2.gz DPQIQVHCMRSEBR-JTQLQIEISA-N 1 2 282.771 3.178 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000341996493 263373471 /nfs/dbraw/zinc/37/34/71/263373471.db2.gz RAMXGNXIFVYDEF-ZDUSSCGKSA-N 1 2 290.432 3.388 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334008943 264233344 /nfs/dbraw/zinc/23/33/44/264233344.db2.gz JTJMUTRCYXRJME-KGLIPLIRSA-N 1 2 290.411 3.044 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000344435707 265061582 /nfs/dbraw/zinc/06/15/82/265061582.db2.gz QFLKEQZBGQALOQ-CYBMUJFWSA-N 1 2 283.375 3.295 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913593 266210925 /nfs/dbraw/zinc/21/09/25/266210925.db2.gz KULXUSWSLGBOPX-HUUCEWRRSA-N 1 2 276.380 3.200 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913593 266210927 /nfs/dbraw/zinc/21/09/27/266210927.db2.gz KULXUSWSLGBOPX-HUUCEWRRSA-N 1 2 276.380 3.200 20 30 CGEDLO COCc1cc(NCC2(CC#N)CC2)c2cc(F)ccc2[nH+]1 ZINC000357666648 266342846 /nfs/dbraw/zinc/34/28/46/266342846.db2.gz ZLNDFFYCYOKMQK-UHFFFAOYSA-N 1 2 299.349 3.048 20 30 CGEDLO N#CC1(C[NH2+]Cc2cscc2Br)CCC1 ZINC000418140460 267362318 /nfs/dbraw/zinc/36/23/18/267362318.db2.gz JLZVBHXRUHNQET-UHFFFAOYSA-N 1 2 285.210 3.294 20 30 CGEDLO N#CC1(C[NH2+]Cc2sccc2Br)CCC1 ZINC000418144256 267365322 /nfs/dbraw/zinc/36/53/22/267365322.db2.gz SENDCNSNJJUDHB-UHFFFAOYSA-N 1 2 285.210 3.294 20 30 CGEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)cc2)nc2ccccc12 ZINC000520964060 268077331 /nfs/dbraw/zinc/07/73/31/268077331.db2.gz CMCBUMYRMJIZKI-UHFFFAOYSA-N 1 2 288.354 3.100 20 30 CGEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(Br)cc1C#N ZINC000553892285 289244460 /nfs/dbraw/zinc/24/44/60/289244460.db2.gz LYDVMUDWTFHXLO-NXEZZACHSA-N 1 2 279.181 3.303 20 30 CGEDLO Cc1nc(C2([NH2+]CCC(C)(C)C#N)CCCCCC2)no1 ZINC000345729925 302583130 /nfs/dbraw/zinc/58/31/30/302583130.db2.gz OIUDWHHBWDITJI-UHFFFAOYSA-N 1 2 290.411 3.457 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccn(-c2ccccc2F)n1 ZINC000188834543 327760824 /nfs/dbraw/zinc/76/08/24/327760824.db2.gz HRYMENYOYFUIMF-UHFFFAOYSA-N 1 2 271.339 3.185 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+](CCC#N)C(C)C)s1 ZINC000534342151 328049869 /nfs/dbraw/zinc/04/98/69/328049869.db2.gz MQYPDXHECKRFBI-UHFFFAOYSA-N 1 2 265.426 3.466 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+](CCC#N)C(C)C)s1 ZINC000534342151 328049871 /nfs/dbraw/zinc/04/98/71/328049871.db2.gz MQYPDXHECKRFBI-UHFFFAOYSA-N 1 2 265.426 3.466 20 30 CGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1c(F)cccc1F ZINC000264895011 328162676 /nfs/dbraw/zinc/16/26/76/328162676.db2.gz UMPJPFSUVOCJGY-WDEREUQCSA-N 1 2 263.291 3.059 20 30 CGEDLO CO[C@@H](C[N@H+](C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639282 328244662 /nfs/dbraw/zinc/24/46/62/328244662.db2.gz SNQDXWNZOOYELO-RISCZKNCSA-N 1 2 266.772 3.119 20 30 CGEDLO CO[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639282 328244664 /nfs/dbraw/zinc/24/46/64/328244664.db2.gz SNQDXWNZOOYELO-RISCZKNCSA-N 1 2 266.772 3.119 20 30 CGEDLO C[N@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000293276423 328274903 /nfs/dbraw/zinc/27/49/03/328274903.db2.gz CGPRQLFVTSNFSZ-GHMZBOCLSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000293276423 328274904 /nfs/dbraw/zinc/27/49/04/328274904.db2.gz CGPRQLFVTSNFSZ-GHMZBOCLSA-N 1 2 250.292 3.089 20 30 CGEDLO C=C(C)CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425319850 328454577 /nfs/dbraw/zinc/45/45/77/328454577.db2.gz WOWYHGKHKMYWCJ-HNNXBMFYSA-N 1 2 283.375 3.014 20 30 CGEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000152971724 327305698 /nfs/dbraw/zinc/30/56/98/327305698.db2.gz CNMXEDOLZZVMHG-UHFFFAOYSA-N 1 2 298.342 3.216 20 30 CGEDLO C=CCN(Cc1cccs1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000561059857 327361929 /nfs/dbraw/zinc/36/19/29/327361929.db2.gz FNFZYHROFOZCLR-CYBMUJFWSA-N 1 2 289.404 3.111 20 30 CGEDLO Clc1cccc(C#CCN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000378482070 329052175 /nfs/dbraw/zinc/05/21/75/329052175.db2.gz CMELOHWTZYUHNK-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000378482070 329052177 /nfs/dbraw/zinc/05/21/77/329052177.db2.gz CMELOHWTZYUHNK-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000378482070 329052179 /nfs/dbraw/zinc/05/21/79/329052179.db2.gz CMELOHWTZYUHNK-HNNXBMFYSA-N 1 2 285.778 3.252 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000564036316 329656977 /nfs/dbraw/zinc/65/69/77/329656977.db2.gz BCZZHLWGLKWTAJ-IUODEOHRSA-N 1 2 266.348 3.191 20 30 CGEDLO C=CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCCC1 ZINC000421581078 329843554 /nfs/dbraw/zinc/84/35/54/329843554.db2.gz PAGRPLVTEHGPCS-UHFFFAOYSA-N 1 2 272.392 3.451 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000571936685 329930638 /nfs/dbraw/zinc/93/06/38/329930638.db2.gz FITSMFSFQCXCIN-AWEZNQCLSA-N 1 2 269.348 3.432 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(F)CC1 ZINC000527510432 330255150 /nfs/dbraw/zinc/25/51/50/330255150.db2.gz PVBOSEGUOAFDRX-CABCVRRESA-N 1 2 258.340 3.260 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1(F)CC1 ZINC000527510432 330255151 /nfs/dbraw/zinc/25/51/51/330255151.db2.gz PVBOSEGUOAFDRX-CABCVRRESA-N 1 2 258.340 3.260 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)nn1 ZINC000424301457 330337938 /nfs/dbraw/zinc/33/79/38/330337938.db2.gz ZYICQLWGWLNVNW-GFCCVEGCSA-N 1 2 282.347 3.061 20 30 CGEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C#N)CC1 ZINC000057872856 330379149 /nfs/dbraw/zinc/37/91/49/330379149.db2.gz HKRZSMWEDHSCBZ-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO C=CC[N@@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000121161582 330398392 /nfs/dbraw/zinc/39/83/92/330398392.db2.gz JOPMAFBMAIEGBH-UHFFFAOYSA-N 1 2 297.189 3.192 20 30 CGEDLO C=CC[N@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000121161582 330398393 /nfs/dbraw/zinc/39/83/93/330398393.db2.gz JOPMAFBMAIEGBH-UHFFFAOYSA-N 1 2 297.189 3.192 20 30 CGEDLO C=CC[C@@H]1N(C(=O)Nc2cc[nH+]c(C)c2)CCCC1(C)C ZINC000444950800 330827571 /nfs/dbraw/zinc/82/75/71/330827571.db2.gz SXPBAPHDFGAORJ-HNNXBMFYSA-N 1 2 287.407 3.411 20 30 CGEDLO N#CC1(C[NH2+]C2(c3nccs3)CCCC2)CCC1 ZINC000450575110 330987438 /nfs/dbraw/zinc/98/74/38/330987438.db2.gz FPRSFXZIMUYDEC-UHFFFAOYSA-N 1 2 261.394 3.196 20 30 CGEDLO C#C[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C(C)C ZINC000490631152 332097498 /nfs/dbraw/zinc/09/74/98/332097498.db2.gz SZZCFXXNUAWIKE-KRWDZBQOSA-N 1 2 294.354 3.262 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000491626248 332249853 /nfs/dbraw/zinc/24/98/53/332249853.db2.gz IJLQFVAJKRBZLY-LBPRGKRZSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000491626248 332249854 /nfs/dbraw/zinc/24/98/54/332249854.db2.gz IJLQFVAJKRBZLY-LBPRGKRZSA-N 1 2 256.374 3.264 20 30 CGEDLO C#C[C@H](NC(=O)Nc1c(C)cc[nH+]c1C)c1ccc(F)cc1 ZINC000491636135 332256941 /nfs/dbraw/zinc/25/69/41/332256941.db2.gz SSWBYNVKNJYNDB-HNNXBMFYSA-N 1 2 297.333 3.334 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1CC)c1ccc(Cl)cc1 ZINC000491688846 332286473 /nfs/dbraw/zinc/28/64/73/332286473.db2.gz FDFSQYFZTCIJHK-HNNXBMFYSA-N 1 2 273.767 3.021 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(C=C)c1)c1ccc(Cl)cc1 ZINC000491695228 332291146 /nfs/dbraw/zinc/29/11/46/332291146.db2.gz XBJXYXKJZAZTCT-HNNXBMFYSA-N 1 2 271.751 3.101 20 30 CGEDLO C#CCN(Cc1c[nH+]cn1C(C)C)Cc1ccc(F)cc1 ZINC000491700758 332295279 /nfs/dbraw/zinc/29/52/79/332295279.db2.gz OYOBURWOAZYXFJ-UHFFFAOYSA-N 1 2 285.366 3.239 20 30 CGEDLO CC#CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000176537162 333043199 /nfs/dbraw/zinc/04/31/99/333043199.db2.gz SKYJVNYWSHQSGA-CYBMUJFWSA-N 1 2 294.468 3.206 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(OCC)c(OC)cc1F ZINC000529514398 333492194 /nfs/dbraw/zinc/49/21/94/333492194.db2.gz CVPKRHAVDXYTFU-UHFFFAOYSA-N 1 2 279.355 3.407 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000565489358 334568465 /nfs/dbraw/zinc/56/84/65/334568465.db2.gz URQSAUWKWXYSAV-LBPRGKRZSA-N 1 2 261.369 3.041 20 30 CGEDLO C=CCCCCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566305280 334641738 /nfs/dbraw/zinc/64/17/38/334641738.db2.gz VGWRAMDZAMWZIT-CQSZACIVSA-N 1 2 263.385 3.039 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000381791923 336072951 /nfs/dbraw/zinc/07/29/51/336072951.db2.gz AGGVJTBEEWSAOG-UHFFFAOYSA-N 1 2 299.599 3.496 20 30 CGEDLO Cc1ccc2c(c1)CC[C@@H]2Nc1cc(C)[nH+]cc1C#N ZINC000425215369 534412927 /nfs/dbraw/zinc/41/29/27/534412927.db2.gz NBIDBSPKJDHZQQ-INIZCTEOSA-N 1 2 263.344 3.091 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@@H]3CCCOCC3)ccc2[nH+]1 ZINC000330273165 534516461 /nfs/dbraw/zinc/51/64/61/534516461.db2.gz YUBZBBVPRVKYRU-GFCCVEGCSA-N 1 2 273.336 3.047 20 30 CGEDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cs1 ZINC000358190395 534600740 /nfs/dbraw/zinc/60/07/40/534600740.db2.gz NQTHWXPYKBVXEX-VIFPVBQESA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000428310263 534764357 /nfs/dbraw/zinc/76/43/57/534764357.db2.gz NERVKJYRIHRJIS-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000428310263 534764364 /nfs/dbraw/zinc/76/43/64/534764364.db2.gz NERVKJYRIHRJIS-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000102185058 526654153 /nfs/dbraw/zinc/65/41/53/526654153.db2.gz SMIALSUBNIGAHZ-CQSZACIVSA-N 1 2 295.346 3.040 20 30 CGEDLO C=CCOCC(=O)Nc1ccc2[nH]c(CCCC)[nH+]c2c1 ZINC000354783443 526723698 /nfs/dbraw/zinc/72/36/98/526723698.db2.gz GMSIKLDOHWBKAB-UHFFFAOYSA-N 1 2 287.363 3.047 20 30 CGEDLO C=CCCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000352146517 527075340 /nfs/dbraw/zinc/07/53/40/527075340.db2.gz JPZLNUNSLUZIFU-UHFFFAOYSA-N 1 2 289.766 3.108 20 30 CGEDLO CC(C)Cc1noc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425535944 528680518 /nfs/dbraw/zinc/68/05/18/528680518.db2.gz HZQUEPQPIJKQLF-CYBMUJFWSA-N 1 2 298.390 3.333 20 30 CGEDLO CC(C)Cc1noc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425535944 528680524 /nfs/dbraw/zinc/68/05/24/528680524.db2.gz HZQUEPQPIJKQLF-CYBMUJFWSA-N 1 2 298.390 3.333 20 30 CGEDLO CCS[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224579 529228584 /nfs/dbraw/zinc/22/85/84/529228584.db2.gz DXNGCZHQTJQYKO-KGLIPLIRSA-N 1 2 275.421 3.160 20 30 CGEDLO Oc1cccc(/C=[NH+]/C2CC(c3ccccc3)C2)c1O ZINC000728226743 571796203 /nfs/dbraw/zinc/79/62/03/571796203.db2.gz XRLGOZZENBHTMD-WOJGMQOQSA-N 1 2 267.328 3.463 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000729935760 571937269 /nfs/dbraw/zinc/93/72/69/571937269.db2.gz OOOGDDBTUXAENX-UHFFFAOYSA-N 1 2 295.390 3.221 20 30 CGEDLO COc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147856 571951315 /nfs/dbraw/zinc/95/13/15/571951315.db2.gz VAGFTZYIYXLXIX-UHFFFAOYSA-N 1 2 277.327 3.111 20 30 CGEDLO C=CC[N@H+](Cc1nc(Cc2ccccc2C)no1)C(C)C ZINC000750816875 572328739 /nfs/dbraw/zinc/32/87/39/572328739.db2.gz BFEFUHASYIKUOL-UHFFFAOYSA-N 1 2 285.391 3.365 20 30 CGEDLO C=CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)C(C)C ZINC000750816875 572328740 /nfs/dbraw/zinc/32/87/40/572328740.db2.gz BFEFUHASYIKUOL-UHFFFAOYSA-N 1 2 285.391 3.365 20 30 CGEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731157126 572398418 /nfs/dbraw/zinc/39/84/18/572398418.db2.gz RSZZCGFRIXDDRA-VOTSOKGWSA-N 1 2 251.289 3.096 20 30 CGEDLO C=CCCO[NH+]=C(N)COc1ccc(Cl)cc1Cl ZINC000740872810 572464097 /nfs/dbraw/zinc/46/40/97/572464097.db2.gz OFGTWNXWCYRDSP-UHFFFAOYSA-N 1 2 289.162 3.447 20 30 CGEDLO C=CC[N@H+](CC1CCCCC1)Cn1ncn(CC)c1=S ZINC000732671341 572477041 /nfs/dbraw/zinc/47/70/41/572477041.db2.gz SBURQXBCCHQGAP-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO C=CC[N@@H+](CC1CCCCC1)Cn1ncn(CC)c1=S ZINC000732671341 572477045 /nfs/dbraw/zinc/47/70/45/572477045.db2.gz SBURQXBCCHQGAP-UHFFFAOYSA-N 1 2 294.468 3.460 20 30 CGEDLO Cc1cccc([C@@H](C)C/[NH+]=C/c2c(O)c(C)ncc2CO)c1 ZINC000741166329 572486963 /nfs/dbraw/zinc/48/69/63/572486963.db2.gz ZWGRWHWUQAEMGE-UZPSYVQNSA-N 1 2 298.386 3.119 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(CCC(C)C)n1 ZINC000746457548 572871589 /nfs/dbraw/zinc/87/15/89/572871589.db2.gz HPEHJBLIUIZNIV-UHFFFAOYSA-N 1 2 250.411 3.187 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(CCC(C)C)n1 ZINC000746457548 572871591 /nfs/dbraw/zinc/87/15/91/572871591.db2.gz HPEHJBLIUIZNIV-UHFFFAOYSA-N 1 2 250.411 3.187 20 30 CGEDLO C=C(Br)C[N@H+](CCOC)CCc1ccccc1 ZINC000746658395 572888501 /nfs/dbraw/zinc/88/85/01/572888501.db2.gz JHDJFHVOPGTQQG-UHFFFAOYSA-N 1 2 298.224 3.086 20 30 CGEDLO C=C(Br)C[N@@H+](CCOC)CCc1ccccc1 ZINC000746658395 572888503 /nfs/dbraw/zinc/88/85/03/572888503.db2.gz JHDJFHVOPGTQQG-UHFFFAOYSA-N 1 2 298.224 3.086 20 30 CGEDLO COc1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)cc1C#N ZINC000746704707 572892534 /nfs/dbraw/zinc/89/25/34/572892534.db2.gz GNEJWDNLJHNHPS-UHFFFAOYSA-N 1 2 296.374 3.401 20 30 CGEDLO COc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1C#N ZINC000746704514 572892712 /nfs/dbraw/zinc/89/27/12/572892712.db2.gz BEDPDGTVSKDEMY-UHFFFAOYSA-N 1 2 294.358 3.155 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)o1 ZINC000749000603 572988049 /nfs/dbraw/zinc/98/80/49/572988049.db2.gz YXKIGPVRKOBIMN-FPLPWBNLSA-N 1 2 266.300 3.440 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@H](C)c2ccncc2)c(O)c1 ZINC000749846588 573047635 /nfs/dbraw/zinc/04/76/35/573047635.db2.gz YOJAFDALLCKXFA-QXGSTRBFSA-N 1 2 284.359 3.409 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000957435927 613294436 /nfs/dbraw/zinc/29/44/36/613294436.db2.gz LSYQMDSSGVCAEX-INIZCTEOSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC000957071237 613294851 /nfs/dbraw/zinc/29/48/51/613294851.db2.gz PFNIUTMWDVQHAN-WBVHZDCISA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000981757685 613373446 /nfs/dbraw/zinc/37/34/46/613373446.db2.gz ZMZPOKMPUIYXIU-OAHLLOKOSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000981757685 613373447 /nfs/dbraw/zinc/37/34/47/613373447.db2.gz ZMZPOKMPUIYXIU-OAHLLOKOSA-N 1 2 296.842 3.020 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccsc1 ZINC000255047853 617778575 /nfs/dbraw/zinc/77/85/75/617778575.db2.gz IPDDLIDYTUHCKW-PLNGDYQASA-N 1 2 254.314 3.292 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000900342993 620783061 /nfs/dbraw/zinc/78/30/61/620783061.db2.gz VEZQSELYDUUQCK-CYBMUJFWSA-N 1 2 277.412 3.016 20 30 CGEDLO COc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000255369061 618240430 /nfs/dbraw/zinc/24/04/30/618240430.db2.gz KHFYBLXLEWVKIV-YFHOEESVSA-N 1 2 278.311 3.239 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891716773 618255144 /nfs/dbraw/zinc/25/51/44/618255144.db2.gz VXPFSEMKKITAMC-VIFPVBQESA-N 1 2 256.271 3.355 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000891716773 618255151 /nfs/dbraw/zinc/25/51/51/618255151.db2.gz VXPFSEMKKITAMC-VIFPVBQESA-N 1 2 256.271 3.355 20 30 CGEDLO COc1c(C)c[nH+]c(CNc2cccc(CC#N)c2)c1C ZINC000313441807 618257837 /nfs/dbraw/zinc/25/78/37/618257837.db2.gz VPXCLDZVXAIENJ-UHFFFAOYSA-N 1 2 281.359 3.385 20 30 CGEDLO COC1CCC(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000891938116 618395924 /nfs/dbraw/zinc/39/59/24/618395924.db2.gz YGEANIKFZIACBV-UHFFFAOYSA-N 1 2 287.407 3.002 20 30 CGEDLO COC1CCC(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000891938116 618395931 /nfs/dbraw/zinc/39/59/31/618395931.db2.gz YGEANIKFZIACBV-UHFFFAOYSA-N 1 2 287.407 3.002 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000891937899 618396266 /nfs/dbraw/zinc/39/62/66/618396266.db2.gz TZDURUBMRUSUIU-UHFFFAOYSA-N 1 2 274.412 3.207 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000891937899 618396269 /nfs/dbraw/zinc/39/62/69/618396269.db2.gz TZDURUBMRUSUIU-UHFFFAOYSA-N 1 2 274.412 3.207 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468021 618625978 /nfs/dbraw/zinc/62/59/78/618625978.db2.gz YHFZEXGLAQBENE-VXGBXAGGSA-N 1 2 269.348 3.047 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000934468021 618625982 /nfs/dbraw/zinc/62/59/82/618625982.db2.gz YHFZEXGLAQBENE-VXGBXAGGSA-N 1 2 269.348 3.047 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934509364 618636157 /nfs/dbraw/zinc/63/61/57/618636157.db2.gz BTEOIQSJQBGYDH-QGZVFWFLSA-N 1 2 298.430 3.238 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934509364 618636158 /nfs/dbraw/zinc/63/61/58/618636158.db2.gz BTEOIQSJQBGYDH-QGZVFWFLSA-N 1 2 298.430 3.238 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(C#N)c1O ZINC000926431208 618670042 /nfs/dbraw/zinc/67/00/42/618670042.db2.gz LWOSPHRJXBFZOJ-SWLSCSKDSA-N 1 2 290.432 3.448 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc(C#N)c1O ZINC000926586457 618753776 /nfs/dbraw/zinc/75/37/76/618753776.db2.gz XSOLNJLMDVJVSM-LMWOUKEDSA-N 1 2 288.391 3.118 20 30 CGEDLO CC1(C)CCC/C(=C\c2cccc3[nH+]ccn32)C1=O ZINC000180315743 618874040 /nfs/dbraw/zinc/87/40/40/618874040.db2.gz VIIITYSIGAMWQA-VAWYXSNFSA-N 1 2 254.333 3.497 20 30 CGEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)c1ccccc1 ZINC000178375785 618999966 /nfs/dbraw/zinc/99/99/66/618999966.db2.gz FRFIHNOUPDESRV-UHFFFAOYSA-N 1 2 293.370 3.325 20 30 CGEDLO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925676076 619125764 /nfs/dbraw/zinc/12/57/64/619125764.db2.gz YIHBPNPJKKZDQG-MKBNYLNASA-N 1 2 288.391 3.261 20 30 CGEDLO CCCCCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178383765 619149482 /nfs/dbraw/zinc/14/94/82/619149482.db2.gz ZKJSFNSDDVSLIP-UHFFFAOYSA-N 1 2 273.380 3.311 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000893544838 619217646 /nfs/dbraw/zinc/21/76/46/619217646.db2.gz NVZSCYIMFIJARV-JTQLQIEISA-N 1 2 295.408 3.344 20 30 CGEDLO N#C[C@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000932151888 619304175 /nfs/dbraw/zinc/30/41/75/619304175.db2.gz KQOYMMPNECYRLB-GFCCVEGCSA-N 1 2 271.389 3.074 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000932151888 619304178 /nfs/dbraw/zinc/30/41/78/619304178.db2.gz KQOYMMPNECYRLB-GFCCVEGCSA-N 1 2 271.389 3.074 20 30 CGEDLO CC[C@H]([NH2+]CCN(CC)C(C)C)c1cccc(C#N)c1O ZINC000924909031 619435534 /nfs/dbraw/zinc/43/55/34/619435534.db2.gz KSNQWBHPQWPVJR-INIZCTEOSA-N 1 2 289.423 3.035 20 30 CGEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)nc(C2CCC2)[nH+]1 ZINC000894487547 619551028 /nfs/dbraw/zinc/55/10/28/619551028.db2.gz UKMVGTSSQHBXTB-ZDUSSCGKSA-N 1 2 270.380 3.183 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cn(CC)nc1C)c1ccc(Cl)cc1 ZINC000894554179 619573940 /nfs/dbraw/zinc/57/39/40/619573940.db2.gz YZXZUSUJPPILRR-MRXNPFEDSA-N 1 2 287.794 3.329 20 30 CGEDLO CCNc1cc(CNc2snc(Cl)c2C#N)cc[nH+]1 ZINC000894870858 619661405 /nfs/dbraw/zinc/66/14/05/619661405.db2.gz OGMSEXDTELIXJL-UHFFFAOYSA-N 1 2 293.783 3.107 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)ccc1OC ZINC000054183335 619722306 /nfs/dbraw/zinc/72/23/06/619722306.db2.gz HRYXWUVHLOASLE-LBPRGKRZSA-N 1 2 297.196 3.240 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1cccs1)C(=O)OCC ZINC000895597219 619858275 /nfs/dbraw/zinc/85/82/75/619858275.db2.gz FZLHHHDDFOOMQZ-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO CCSCc1ccc[nH+]c1N[C@@H]1CC[C@@H](C#N)C1 ZINC000895687999 619870376 /nfs/dbraw/zinc/87/03/76/619870376.db2.gz HNBVXEXPPLBFTM-DGCLKSJQSA-N 1 2 261.394 3.439 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000896507173 620019697 /nfs/dbraw/zinc/01/96/97/620019697.db2.gz YZLACENWWSRBKC-MRXNPFEDSA-N 1 2 270.376 3.211 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000896507173 620019700 /nfs/dbraw/zinc/01/97/00/620019700.db2.gz YZLACENWWSRBKC-MRXNPFEDSA-N 1 2 270.376 3.211 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC2(COC)CCC2)c(O)c1 ZINC000840707328 620087955 /nfs/dbraw/zinc/08/79/55/620087955.db2.gz USOKUGWQYXIVRM-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO COc1ccc(F)c(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624532 620411573 /nfs/dbraw/zinc/41/15/73/620411573.db2.gz NNNOTBDACATQFM-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO COc1ccc(F)c(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624532 620411576 /nfs/dbraw/zinc/41/15/76/620411576.db2.gz NNNOTBDACATQFM-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(C#N)c1O ZINC000927030275 620565031 /nfs/dbraw/zinc/56/50/31/620565031.db2.gz SGZIMPWTNAGTAW-NTZNESFSSA-N 1 2 276.405 3.199 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000899157386 620623493 /nfs/dbraw/zinc/62/34/93/620623493.db2.gz FLTLXOKGKUAJEO-UHFFFAOYSA-N 1 2 277.412 3.035 20 30 CGEDLO Cn1c[nH+]cc1/C=C\C(=O)c1ccc(N2CCCCC2)cc1 ZINC000901428138 620884038 /nfs/dbraw/zinc/88/40/38/620884038.db2.gz DSJDHINZYXMINP-KTKRTIGZSA-N 1 2 295.386 3.307 20 30 CGEDLO Cc1[nH]c(/C=C2\C(=O)c3c(c(F)ccc3O)[C@H]2C)[nH+]c1C ZINC000901450966 620884874 /nfs/dbraw/zinc/88/48/74/620884874.db2.gz GOOQPEXVZKDZJP-LOBLAWFCSA-N 1 2 286.306 3.255 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cccc(C)c1C ZINC000901476568 620891632 /nfs/dbraw/zinc/89/16/32/620891632.db2.gz JJUPVZQZBXCDHN-HJWRWDBZSA-N 1 2 254.333 3.416 20 30 CGEDLO Cc1[nH]c(/C=C2\Cc3cc(C)ccc3C2=O)[nH+]c1C ZINC000901463915 620895406 /nfs/dbraw/zinc/89/54/06/620895406.db2.gz CBJFNZPENPKCEH-MDWZMJQESA-N 1 2 252.317 3.157 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\Cc2cc(C)ccc2C1=O ZINC000901464281 620895274 /nfs/dbraw/zinc/89/52/74/620895274.db2.gz HAMYYQXJPGNYNW-MDWZMJQESA-N 1 2 252.317 3.034 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000901532409 620915925 /nfs/dbraw/zinc/91/59/25/620915925.db2.gz RZOYNPZHCRSSGQ-WDZFZDKYSA-N 1 2 297.314 3.195 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2scnc2C1=O ZINC000901543435 620931922 /nfs/dbraw/zinc/93/19/22/620931922.db2.gz NDODWLXAQHWICX-YHYXMXQVSA-N 1 2 273.361 3.133 20 30 CGEDLO CC(C)(C#N)CCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622624 621387325 /nfs/dbraw/zinc/38/73/25/621387325.db2.gz HQDDZOFPZRGBKX-UHFFFAOYSA-N 1 2 277.343 3.197 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(F)(F)F)cn1 ZINC000903035632 621537768 /nfs/dbraw/zinc/53/77/68/621537768.db2.gz SEUCWZRFUVNGGT-JTQLQIEISA-N 1 2 283.297 3.445 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)c1cc(C#N)ccn1 ZINC000903027063 621543609 /nfs/dbraw/zinc/54/36/09/621543609.db2.gz ZMKOLKWLZGDTLV-ZLIFDBKOSA-N 1 2 281.334 3.241 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc2ccccc2n1 ZINC000903105489 621577942 /nfs/dbraw/zinc/57/79/42/621577942.db2.gz CRDCADUKBNGLNU-LBPRGKRZSA-N 1 2 251.333 3.189 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1OC(F)F ZINC000903106360 621580140 /nfs/dbraw/zinc/58/01/40/621580140.db2.gz OJSSUPSNXSCSMT-VIFPVBQESA-N 1 2 284.281 3.381 20 30 CGEDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000905722978 622100200 /nfs/dbraw/zinc/10/02/00/622100200.db2.gz VGWQAQXDVMYNQQ-LBPRGKRZSA-N 1 2 288.391 3.131 20 30 CGEDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000905722978 622100203 /nfs/dbraw/zinc/10/02/03/622100203.db2.gz VGWQAQXDVMYNQQ-LBPRGKRZSA-N 1 2 288.391 3.131 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)ccc1OC ZINC000905861532 622118003 /nfs/dbraw/zinc/11/80/03/622118003.db2.gz HYWRGMNEVFFKLX-IUODEOHRSA-N 1 2 289.354 3.319 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(O)c3)n2c1 ZINC000151388973 622778313 /nfs/dbraw/zinc/77/83/13/622778313.db2.gz DTKUULFWGAKTTR-VOTSOKGWSA-N 1 2 278.311 3.244 20 30 CGEDLO CC(F)(F)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000929774558 623624951 /nfs/dbraw/zinc/62/49/51/623624951.db2.gz QDMVTODSKJYBGV-UHFFFAOYSA-N 1 2 256.296 3.431 20 30 CGEDLO CC(F)(F)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000929774558 623624958 /nfs/dbraw/zinc/62/49/58/623624958.db2.gz QDMVTODSKJYBGV-UHFFFAOYSA-N 1 2 256.296 3.431 20 30 CGEDLO CC(C)O[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000835004382 623852937 /nfs/dbraw/zinc/85/29/37/623852937.db2.gz NGUNXWCLGJXUFS-UHFFFAOYSA-N 1 2 250.317 3.185 20 30 CGEDLO CCc1ccccc1N[NH+]=C(C)c1csc(N)n1 ZINC000915051261 623890289 /nfs/dbraw/zinc/89/02/89/623890289.db2.gz BGJQJPHFBJRFHT-UHFFFAOYSA-N 1 2 260.366 3.124 20 30 CGEDLO C=CCCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835197970 634391233 /nfs/dbraw/zinc/39/12/33/634391233.db2.gz SVNAOIQIUWECHU-UHFFFAOYSA-N 1 2 270.332 3.054 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)C#CC3CC3)cc2)[nH+]c1C ZINC000921655438 625810326 /nfs/dbraw/zinc/81/03/26/625810326.db2.gz IGOIDUPAFWAWAX-UHFFFAOYSA-N 1 2 279.343 3.045 20 30 CGEDLO C#CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000839042767 626309084 /nfs/dbraw/zinc/30/90/84/626309084.db2.gz NIBFSZDXTMSCHJ-GDBMZVCRSA-N 1 2 273.376 3.025 20 30 CGEDLO C#CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000839042767 626309086 /nfs/dbraw/zinc/30/90/86/626309086.db2.gz NIBFSZDXTMSCHJ-GDBMZVCRSA-N 1 2 273.376 3.025 20 30 CGEDLO C#CC[C@H]([NH2+][C@H]1CCCC[C@H](c2ccccc2)C1)C(=O)OC ZINC000839170204 626324533 /nfs/dbraw/zinc/32/45/33/626324533.db2.gz YYFVPDVLNQXLCU-BZSNNMDCSA-N 1 2 299.414 3.257 20 30 CGEDLO C#CC[C@@H]([NH2+]C1CCC(C)(c2ccccc2)CC1)C(=O)OC ZINC000839170030 626324677 /nfs/dbraw/zinc/32/46/77/626324677.db2.gz WSQUOWKSHJDGKJ-TVRKMHQQSA-N 1 2 299.414 3.041 20 30 CGEDLO Cc1[nH+]c[nH]c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000755595250 626630730 /nfs/dbraw/zinc/63/07/30/626630730.db2.gz XUXAPDJJHZKKHD-UHFFFAOYSA-N 1 2 283.360 3.288 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2cccc3cnccc32)s1 ZINC000755699408 626637726 /nfs/dbraw/zinc/63/77/26/626637726.db2.gz QYHKEFCJEYPBMT-UHFFFAOYSA-N 1 2 297.387 3.203 20 30 CGEDLO CC(C)c1[nH+]c(C=NO[C@H]2CCCCO2)c2ccccn21 ZINC000755820605 626650541 /nfs/dbraw/zinc/65/05/41/626650541.db2.gz XDBGMJRSTOIZAJ-HNNXBMFYSA-N 1 2 287.363 3.335 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1csc(COC)n1)c1ccccc1 ZINC000756997860 626745823 /nfs/dbraw/zinc/74/58/23/626745823.db2.gz OWBCDFHWBITMCB-HNNXBMFYSA-N 1 2 286.400 3.144 20 30 CGEDLO O=C1c2cc(F)cc(F)c2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769615866 627569966 /nfs/dbraw/zinc/56/99/66/627569966.db2.gz SKQVRPVSETUDHF-UXBLZVDNSA-N 1 2 296.276 3.435 20 30 CGEDLO CCOc1cccc(CC/[NH+]=C/c2ccccc2O)c1 ZINC000771100406 627683109 /nfs/dbraw/zinc/68/31/09/627683109.db2.gz YGRFRZHZYHGBOV-QGOAFFKASA-N 1 2 269.344 3.453 20 30 CGEDLO C#CCOc1ccc(CNc2ccc(C)[nH+]c2C)cc1 ZINC000772942852 627833929 /nfs/dbraw/zinc/83/39/29/627833929.db2.gz GUQJVVUUEBFBIB-UHFFFAOYSA-N 1 2 266.344 3.323 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000775183029 628069441 /nfs/dbraw/zinc/06/94/41/628069441.db2.gz GMEVHHLVMPTKJS-SECBINFHSA-N 1 2 272.175 3.456 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000775183029 628069444 /nfs/dbraw/zinc/06/94/44/628069444.db2.gz GMEVHHLVMPTKJS-SECBINFHSA-N 1 2 272.175 3.456 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC2([C@@H](C)CCO)CCC2)c1 ZINC000775629405 628116116 /nfs/dbraw/zinc/11/61/16/628116116.db2.gz HBGYATVINVMBOT-FHNWIRHTSA-N 1 2 291.391 3.009 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642482 628118348 /nfs/dbraw/zinc/11/83/48/628118348.db2.gz VVMHANZALLRJJK-MEBBXXQBSA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000775642482 628118349 /nfs/dbraw/zinc/11/83/49/628118349.db2.gz VVMHANZALLRJJK-MEBBXXQBSA-N 1 2 296.773 3.137 20 30 CGEDLO C=CCSc1ccccc1C(=O)OCc1c[nH+]cn1C ZINC000777325876 628261403 /nfs/dbraw/zinc/26/14/03/628261403.db2.gz KTSBGMOLCVRZLX-UHFFFAOYSA-N 1 2 288.372 3.055 20 30 CGEDLO N#Cc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783827089 628749206 /nfs/dbraw/zinc/74/92/06/628749206.db2.gz OMJARUCHZBMXKL-UHFFFAOYSA-N 1 2 293.355 3.251 20 30 CGEDLO C#CC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000784526272 628819690 /nfs/dbraw/zinc/81/96/90/628819690.db2.gz HARWVIYNFQWWPJ-SECBINFHSA-N 1 2 270.195 3.281 20 30 CGEDLO C#CC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000784526272 628819693 /nfs/dbraw/zinc/81/96/93/628819693.db2.gz HARWVIYNFQWWPJ-SECBINFHSA-N 1 2 270.195 3.281 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(O)ccc(Cl)c1F ZINC000792157370 629341688 /nfs/dbraw/zinc/34/16/88/629341688.db2.gz VLUQBDPSHMZQQO-UHFFFAOYSA-N 1 2 255.720 3.359 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC1CCCC1 ZINC000792634722 629372291 /nfs/dbraw/zinc/37/22/91/629372291.db2.gz HUDBUMANPXDJPP-UHFFFAOYSA-N 1 2 258.365 3.337 20 30 CGEDLO Clc1cccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000793174622 629422357 /nfs/dbraw/zinc/42/23/57/629422357.db2.gz JXQJNJDIRSIBNW-UHFFFAOYSA-N 1 2 297.749 3.367 20 30 CGEDLO CCCCCCCCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335040 630520844 /nfs/dbraw/zinc/52/08/44/630520844.db2.gz PZQCUATWUVKPML-AWEZNQCLSA-N 1 2 277.412 3.065 20 30 CGEDLO C#C[C@H]([NH2+][C@H](CC)c1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000806157603 630550594 /nfs/dbraw/zinc/55/05/94/630550594.db2.gz AHDQXNOSKGEJBD-ILXRZTDVSA-N 1 2 293.794 3.267 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000809717272 630789311 /nfs/dbraw/zinc/78/93/11/630789311.db2.gz ZBBKCEHMCDTCSZ-UHFFFAOYSA-N 1 2 279.339 3.051 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc2c1OCO2 ZINC000809717272 630789317 /nfs/dbraw/zinc/78/93/17/630789317.db2.gz ZBBKCEHMCDTCSZ-UHFFFAOYSA-N 1 2 279.339 3.051 20 30 CGEDLO CCC(=[NH+]Nc1cccc(C#N)c1)c1cccc(N)c1 ZINC000814787138 631639770 /nfs/dbraw/zinc/63/97/70/631639770.db2.gz WPXMVVNKJRCXRT-UHFFFAOYSA-N 1 2 264.332 3.367 20 30 CGEDLO FC(F)(F)[C@H]1C=C(NNc2cccc(Cl)[nH+]2)CCO1 ZINC000814939675 631693495 /nfs/dbraw/zinc/69/34/95/631693495.db2.gz YQIWZWPUQZNCCB-MRVPVSSYSA-N 1 2 293.676 3.244 20 30 CGEDLO C=CCC(F)(F)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000815166221 631734725 /nfs/dbraw/zinc/73/47/25/631734725.db2.gz CBWDETRGAKTAHX-UHFFFAOYSA-N 1 2 277.274 3.227 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866256280 633047875 /nfs/dbraw/zinc/04/78/75/633047875.db2.gz IKMBNVBVCYZDRE-GHMZBOCLSA-N 1 2 287.388 3.441 20 30 CGEDLO CSCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269526 633055581 /nfs/dbraw/zinc/05/55/81/633055581.db2.gz IRAODTKRHQGFKZ-LLVKDONJSA-N 1 2 264.394 3.058 20 30 CGEDLO CCO[C@H](CC[NH2+][C@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866278412 633062814 /nfs/dbraw/zinc/06/28/14/633062814.db2.gz ZDRBYZQBTHEEOG-CZUORRHYSA-N 1 2 290.407 3.366 20 30 CGEDLO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cccc(C#N)c1O ZINC000866311384 633077117 /nfs/dbraw/zinc/07/71/17/633077117.db2.gz JFDKYUWHPDACHA-PXAZEXFGSA-N 1 2 293.370 3.461 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc(C#N)c1O ZINC000866355714 633097362 /nfs/dbraw/zinc/09/73/62/633097362.db2.gz BZSJUVLRRXYYMK-VXGBXAGGSA-N 1 2 276.405 3.058 20 30 CGEDLO CSCC1(CC[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866386561 633115605 /nfs/dbraw/zinc/11/56/05/633115605.db2.gz GXQBVPDVTQBEAN-GFCCVEGCSA-N 1 2 290.432 3.448 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000866393060 633120175 /nfs/dbraw/zinc/12/01/75/633120175.db2.gz LGTTYJUPOBVCNE-SKDRFNHKSA-N 1 2 280.318 3.206 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(F)F ZINC000824510318 633251538 /nfs/dbraw/zinc/25/15/38/633251538.db2.gz UYWPDTJPUZWYCZ-AWEZNQCLSA-N 1 2 281.350 3.170 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000826710090 633427846 /nfs/dbraw/zinc/42/78/46/633427846.db2.gz PWENWQAOHDSYSE-KRWDZBQOSA-N 1 2 284.403 3.058 20 30 CGEDLO C=CCC(CC=C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000826710090 633427847 /nfs/dbraw/zinc/42/78/47/633427847.db2.gz PWENWQAOHDSYSE-KRWDZBQOSA-N 1 2 284.403 3.058 20 30 CGEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CC[C@@H](CC#N)C1 ZINC000828692702 633642986 /nfs/dbraw/zinc/64/29/86/633642986.db2.gz KRBGSYQUHOXBHY-RYUDHWBXSA-N 1 2 298.394 3.076 20 30 CGEDLO COc1cc(Cl)c(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000876652652 634875698 /nfs/dbraw/zinc/87/56/98/634875698.db2.gz GLBHWFAQQXNILB-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC000877323594 635026732 /nfs/dbraw/zinc/02/67/32/635026732.db2.gz UENFYHYSUIJFLF-UHFFFAOYSA-N 1 2 290.260 3.364 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000840714013 635040669 /nfs/dbraw/zinc/04/06/69/635040669.db2.gz WTJMCDMNSFICIJ-QAELCWLDSA-N 1 2 277.364 3.023 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877605713 635108750 /nfs/dbraw/zinc/10/87/50/635108750.db2.gz WMCQPHVNGOXLSG-SNVBAGLBSA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877605713 635108753 /nfs/dbraw/zinc/10/87/53/635108753.db2.gz WMCQPHVNGOXLSG-SNVBAGLBSA-N 1 2 254.786 3.032 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CC(c3ccccc3)C2)c1 ZINC000877665951 635139198 /nfs/dbraw/zinc/13/91/98/635139198.db2.gz OZGLEEOGGCAUPB-UHFFFAOYSA-N 1 2 283.762 3.206 20 30 CGEDLO COc1ccc2c(NCC3(C#N)CCC3)cc[nH+]c2c1 ZINC000842050580 635265892 /nfs/dbraw/zinc/26/58/92/635265892.db2.gz FLCMQWZSWWLVNV-UHFFFAOYSA-N 1 2 267.332 3.349 20 30 CGEDLO CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H](CC#N)C3)c2C1 ZINC000878886491 635649786 /nfs/dbraw/zinc/64/97/86/635649786.db2.gz KNZWFXCVJZXPNM-ZDUSSCGKSA-N 1 2 287.407 3.315 20 30 CGEDLO CC1(C)CCc2onc(C[N@H+]3CCC[C@@H](CC#N)C3)c2C1 ZINC000878886491 635649791 /nfs/dbraw/zinc/64/97/91/635649791.db2.gz KNZWFXCVJZXPNM-ZDUSSCGKSA-N 1 2 287.407 3.315 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc1Cl ZINC000879308824 635751980 /nfs/dbraw/zinc/75/19/80/635751980.db2.gz INBWIQBSFNMHCS-YPMHNXCESA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc1Cl ZINC000879308824 635751985 /nfs/dbraw/zinc/75/19/85/635751985.db2.gz INBWIQBSFNMHCS-YPMHNXCESA-N 1 2 263.772 3.168 20 30 CGEDLO C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)C[C@@H](C)n1cc[nH+]c1)C2(C)C ZINC000845536532 636046156 /nfs/dbraw/zinc/04/61/56/636046156.db2.gz BBORIAFEKWXUHG-RZFFKMDDSA-N 1 2 288.391 3.368 20 30 CGEDLO CC(C)CC[C@H]1CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416205 636571859 /nfs/dbraw/zinc/57/18/59/636571859.db2.gz CMVTXHFXCZIRDW-HNNXBMFYSA-N 1 2 276.428 3.455 20 30 CGEDLO CC1(C)C(=NNCCCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000848418245 636572567 /nfs/dbraw/zinc/57/25/67/636572567.db2.gz KHAZUGZMHRUOEM-MRXNPFEDSA-N 1 2 296.418 3.433 20 30 CGEDLO Cc1[nH]c(CNc2cc(C#N)ccc2OC(C)C)[nH+]c1C ZINC000850321594 637017705 /nfs/dbraw/zinc/01/77/05/637017705.db2.gz SAAIAFSBIHGJIA-UHFFFAOYSA-N 1 2 284.363 3.298 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000852102881 637596858 /nfs/dbraw/zinc/59/68/58/637596858.db2.gz SCHIMHPYTDIEHU-SUMWQHHRSA-N 1 2 283.375 3.498 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000852103873 637597904 /nfs/dbraw/zinc/59/79/04/637597904.db2.gz UJQHAAOHQJPVHO-BLLLJJGKSA-N 1 2 269.348 3.189 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328811 637636100 /nfs/dbraw/zinc/63/61/00/637636100.db2.gz NLFGKARUMOYOLO-QAPCUYQASA-N 1 2 292.386 3.095 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328811 637636104 /nfs/dbraw/zinc/63/61/04/637636104.db2.gz NLFGKARUMOYOLO-QAPCUYQASA-N 1 2 292.386 3.095 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000886776263 637684367 /nfs/dbraw/zinc/68/43/67/637684367.db2.gz AZOPBSBEWFBOBD-UHFFFAOYSA-N 1 2 290.794 3.115 20 30 CGEDLO CC[C@H]1CCCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000853370368 637826534 /nfs/dbraw/zinc/82/65/34/637826534.db2.gz LFDQHOFISSCLLX-AWEZNQCLSA-N 1 2 262.401 3.209 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC[C@@H](CC#N)C1 ZINC000853656336 637883658 /nfs/dbraw/zinc/88/36/58/637883658.db2.gz ZPNPMGVAWRTIFF-GJZGRUSLSA-N 1 2 283.375 3.368 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(CC)OC ZINC000853662511 637885873 /nfs/dbraw/zinc/88/58/73/637885873.db2.gz IEAGGLHVOZMKOJ-INIZCTEOSA-N 1 2 276.380 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)c1ccccn1 ZINC000853750708 637908657 /nfs/dbraw/zinc/90/86/57/637908657.db2.gz FMDVOPSLWVPXGJ-OAHLLOKOSA-N 1 2 295.386 3.484 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC[C@@H](C)O1 ZINC000853849364 637941355 /nfs/dbraw/zinc/94/13/55/637941355.db2.gz KLBYWNUFOOAMDJ-CABCVRRESA-N 1 2 288.391 3.243 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@]1(C)CC1(F)F ZINC000853850583 637941539 /nfs/dbraw/zinc/94/15/39/637941539.db2.gz VDYVFOOJWKLMEO-AWEZNQCLSA-N 1 2 280.318 3.331 20 30 CGEDLO C=C1CCC(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000889225168 637985577 /nfs/dbraw/zinc/98/55/77/637985577.db2.gz JRYGUVVRJSHHFX-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO CC[C@@H](C)N(C)CC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000924917005 638423706 /nfs/dbraw/zinc/42/37/06/638423706.db2.gz OLFOQJJDWASMOY-CZUORRHYSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1Cl ZINC000857049692 638442096 /nfs/dbraw/zinc/44/20/96/638442096.db2.gz PLMZOFKNDYVLED-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857049692 638442100 /nfs/dbraw/zinc/44/21/00/638442100.db2.gz PLMZOFKNDYVLED-NSHDSACASA-N 1 2 288.782 3.138 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc(C#N)c1O ZINC000925465665 638506176 /nfs/dbraw/zinc/50/61/76/638506176.db2.gz IYADYSJFENVDIX-SWLSCSKDSA-N 1 2 290.407 3.102 20 30 CGEDLO CCCCCCCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886799 638592711 /nfs/dbraw/zinc/59/27/11/638592711.db2.gz DTIWNFIPBDTSAA-OAHLLOKOSA-N 1 2 291.439 3.455 20 30 CGEDLO Cc1c[nH+]c2c(c1)N(C(=O)CC1(C#N)CCCCC1)CCN2 ZINC000858002163 638616713 /nfs/dbraw/zinc/61/67/13/638616713.db2.gz OFPHONULZSROBZ-UHFFFAOYSA-N 1 2 298.390 3.013 20 30 CGEDLO CC[C@H]([NH2+]CCc1ncccc1C)c1cccc(C#N)c1O ZINC000926528358 638781332 /nfs/dbraw/zinc/78/13/32/638781332.db2.gz PLLIDVZQAZDJBS-INIZCTEOSA-N 1 2 295.386 3.251 20 30 CGEDLO C=C[C@H](CC)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000931145037 639116703 /nfs/dbraw/zinc/11/67/03/639116703.db2.gz ATJVRMQTUIUULV-CQSZACIVSA-N 1 2 290.407 3.268 20 30 CGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859411834 639136967 /nfs/dbraw/zinc/13/69/67/639136967.db2.gz NSXUUTSDZDHSNU-OCAPTIKFSA-N 1 2 268.145 3.118 20 30 CGEDLO C=C(Br)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859411834 639136968 /nfs/dbraw/zinc/13/69/68/639136968.db2.gz NSXUUTSDZDHSNU-OCAPTIKFSA-N 1 2 268.145 3.118 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932378140 639322723 /nfs/dbraw/zinc/32/27/23/639322723.db2.gz KJKWGSVZEJUASR-QGZVFWFLSA-N 1 2 281.334 3.333 20 30 CGEDLO C#CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C(C)(C)C ZINC000932465137 639337053 /nfs/dbraw/zinc/33/70/53/639337053.db2.gz XOIHTIICJAZLTA-LLVKDONJSA-N 1 2 266.410 3.084 20 30 CGEDLO C#CC[N@H+](Cc1csc([C@@H](C)OC)n1)C(C)(C)C ZINC000932465137 639337057 /nfs/dbraw/zinc/33/70/57/639337057.db2.gz XOIHTIICJAZLTA-LLVKDONJSA-N 1 2 266.410 3.084 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1cnc(Br)c(C)c1 ZINC000934461388 639612317 /nfs/dbraw/zinc/61/23/17/639612317.db2.gz MVWSVIDTRCLIEE-LBPRGKRZSA-N 1 2 281.197 3.303 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1cnc(Br)c(C)c1 ZINC000934461388 639612323 /nfs/dbraw/zinc/61/23/23/639612323.db2.gz MVWSVIDTRCLIEE-LBPRGKRZSA-N 1 2 281.197 3.303 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCCn1cccn1 ZINC000075691773 640151844 /nfs/dbraw/zinc/15/18/44/640151844.db2.gz JJQHRXKOLKBRQB-QGOAFFKASA-N 1 2 279.343 3.251 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007908464 640944834 /nfs/dbraw/zinc/94/48/34/640944834.db2.gz PTVQENUFPRPTJS-MGPQQGTHSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007908464 640944841 /nfs/dbraw/zinc/94/48/41/640944841.db2.gz PTVQENUFPRPTJS-MGPQQGTHSA-N 1 2 298.858 3.002 20 30 CGEDLO Cc1cc(F)cc2[nH+]c(Cc3ccc(C#N)cc3)[nH]c21 ZINC001250587741 805709987 /nfs/dbraw/zinc/70/99/87/805709987.db2.gz JXPJORFIDCHFGN-UHFFFAOYSA-N 1 2 265.291 3.473 20 30 CGEDLO N#CCc1cc[nH+]c(N2CCC(c3cccc(O)c3)CC2)c1 ZINC001157570909 805836227 /nfs/dbraw/zinc/83/62/27/805836227.db2.gz AINKVDYDFUPEJG-UHFFFAOYSA-N 1 2 293.370 3.237 20 30 CGEDLO COc1cc2ccc(NCCCCC#N)[nH+]c2cc1OC ZINC001157641276 805845334 /nfs/dbraw/zinc/84/53/34/805845334.db2.gz UKEZFYZZKFMNID-UHFFFAOYSA-N 1 2 285.347 3.358 20 30 CGEDLO C=CCN(c1ccc(Cn2cncn2)c[nH+]1)C1CCCCC1 ZINC001157850252 805887995 /nfs/dbraw/zinc/88/79/95/805887995.db2.gz HYHXERKUJCFNOT-UHFFFAOYSA-N 1 2 297.406 3.047 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H](C2CCC2)C(F)(F)F)c1 ZINC001158400739 805950279 /nfs/dbraw/zinc/95/02/79/805950279.db2.gz CPLGZGXRGFPUAM-GFCCVEGCSA-N 1 2 269.270 3.291 20 30 CGEDLO COc1ccc2c(cc[nH+]c2NC=CC(=O)C(F)(F)F)c1 ZINC001158557608 805965389 /nfs/dbraw/zinc/96/53/89/805965389.db2.gz VRWAPNVBVPJRSE-FNORWQNLSA-N 1 2 296.248 3.300 20 30 CGEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC(C)C)[nH+]1 ZINC001161647216 806411708 /nfs/dbraw/zinc/41/17/08/806411708.db2.gz PBCFTYQMYYSUIX-OTJDAXFFSA-N 1 2 295.452 3.339 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001254652856 806475225 /nfs/dbraw/zinc/47/52/25/806475225.db2.gz HVXJUGTZDZSTRM-CRAIPNDOSA-N 1 2 292.386 3.171 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254654592 806475349 /nfs/dbraw/zinc/47/53/49/806475349.db2.gz WHAJNXMHZDCWLI-CVEARBPZSA-N 1 2 253.349 3.095 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254654592 806475354 /nfs/dbraw/zinc/47/53/54/806475354.db2.gz WHAJNXMHZDCWLI-CVEARBPZSA-N 1 2 253.349 3.095 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC001255164216 806561002 /nfs/dbraw/zinc/56/10/02/806561002.db2.gz IICDGRYYXGUYNG-MRXNPFEDSA-N 1 2 271.408 3.118 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001255162124 806561068 /nfs/dbraw/zinc/56/10/68/806561068.db2.gz IAAPMFZTRLFIQR-YPMHNXCESA-N 1 2 263.772 3.468 20 30 CGEDLO Cc1cc2[nH]ccc2c(NC2(C#N)Cc3ccccc3C2)[nH+]1 ZINC001163004191 806692866 /nfs/dbraw/zinc/69/28/66/806692866.db2.gz YEFBOLQGOUCQNH-UHFFFAOYSA-N 1 2 288.354 3.344 20 30 CGEDLO C=C(C)CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001163380662 806755875 /nfs/dbraw/zinc/75/58/75/806755875.db2.gz FPFVKDANOQOMTP-UHFFFAOYSA-N 1 2 255.321 3.044 20 30 CGEDLO C#CCCCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000710315321 800034082 /nfs/dbraw/zinc/03/40/82/800034082.db2.gz KGHYBXHDWZHBPG-UHFFFAOYSA-N 1 2 255.321 3.003 20 30 CGEDLO CN(c1[nH+]ccc2ccc(C#N)cc21)C1CC(F)(F)C1 ZINC001163766368 806821093 /nfs/dbraw/zinc/82/10/93/806821093.db2.gz LJAUVPAXXWBBJL-UHFFFAOYSA-N 1 2 273.286 3.340 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000925725465 800633270 /nfs/dbraw/zinc/63/32/70/800633270.db2.gz UKQAURVEKSNPKN-AWEZNQCLSA-N 1 2 287.407 3.263 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000934459221 800678530 /nfs/dbraw/zinc/67/85/30/800678530.db2.gz DIQUWFNCBAZECS-HNNXBMFYSA-N 1 2 292.386 3.203 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000934459221 800678538 /nfs/dbraw/zinc/67/85/38/800678538.db2.gz DIQUWFNCBAZECS-HNNXBMFYSA-N 1 2 292.386 3.203 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023736 800828297 /nfs/dbraw/zinc/82/82/97/800828297.db2.gz UWNOTZDUMGQTKV-BFHYXJOUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028023736 800828303 /nfs/dbraw/zinc/82/83/03/800828303.db2.gz UWNOTZDUMGQTKV-BFHYXJOUSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071803751 801554616 /nfs/dbraw/zinc/55/46/16/801554616.db2.gz QSABZTVIIWOKOD-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071803751 801554621 /nfs/dbraw/zinc/55/46/21/801554621.db2.gz QSABZTVIIWOKOD-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C[C@]1(F)CCN(c2[nH+]ccc3ccc(C#N)cc32)C[C@@H]1F ZINC001164334457 806934755 /nfs/dbraw/zinc/93/47/55/806934755.db2.gz SHDNPNVTFVNUCI-HOCLYGCPSA-N 1 2 287.313 3.383 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC001113698250 802233121 /nfs/dbraw/zinc/23/31/21/802233121.db2.gz NQMULRAAGCVXCP-KRWDZBQOSA-N 1 2 280.456 3.313 20 30 CGEDLO CC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1F ZINC001116439501 802349686 /nfs/dbraw/zinc/34/96/86/802349686.db2.gz DETSYJBURDVBMD-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1F ZINC001116439501 802349693 /nfs/dbraw/zinc/34/96/93/802349693.db2.gz DETSYJBURDVBMD-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO C=C(CC(C)C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001123656495 802961057 /nfs/dbraw/zinc/96/10/57/802961057.db2.gz SKTFIWXNPJJMEG-UHFFFAOYSA-N 1 2 257.337 3.412 20 30 CGEDLO COc1ccc(-c2cccc3[nH+]c(C)cn32)cc1C#N ZINC001244708256 803507497 /nfs/dbraw/zinc/50/74/97/803507497.db2.gz HLQUJZKFJPJMSE-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO CNc1cc(-c2ccnc3ccc(C#N)cc32)cc[nH+]1 ZINC001244973347 803599053 /nfs/dbraw/zinc/59/90/53/803599053.db2.gz NAZPJJHLZATSTI-UHFFFAOYSA-N 1 2 260.300 3.210 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(C#N)c1F ZINC001245068343 803630032 /nfs/dbraw/zinc/63/00/32/803630032.db2.gz HGJYNGVUBMCOKH-UHFFFAOYSA-N 1 2 255.296 3.134 20 30 CGEDLO C=C(CC(C)C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001136176382 803635289 /nfs/dbraw/zinc/63/52/89/803635289.db2.gz SSPMDSLONRVVSB-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1csc(Br)n1 ZINC001137583493 803742746 /nfs/dbraw/zinc/74/27/46/803742746.db2.gz WGTVHCSLAHHFAY-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1csc(Br)n1 ZINC001137583493 803742752 /nfs/dbraw/zinc/74/27/52/803742752.db2.gz WGTVHCSLAHHFAY-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C#CC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC001138005339 803819615 /nfs/dbraw/zinc/81/96/15/803819615.db2.gz YCPMIBVSLXJJBG-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138454014 803942664 /nfs/dbraw/zinc/94/26/64/803942664.db2.gz IXUOHTUALYEAAC-UHFFFAOYSA-N 1 2 287.407 3.240 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnccc2C(F)(F)F)CC1 ZINC001140919656 804548611 /nfs/dbraw/zinc/54/86/11/804548611.db2.gz ZQSXAMMOKVQZTN-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cnccc2C(F)(F)F)CC1 ZINC001140919656 804548613 /nfs/dbraw/zinc/54/86/13/804548613.db2.gz ZQSXAMMOKVQZTN-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CCC[N@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC001141956500 804681970 /nfs/dbraw/zinc/68/19/70/804681970.db2.gz IXGZRDKNQFARPV-UHFFFAOYSA-N 1 2 272.348 3.074 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC001141956500 804681972 /nfs/dbraw/zinc/68/19/72/804681972.db2.gz IXGZRDKNQFARPV-UHFFFAOYSA-N 1 2 272.348 3.074 20 30 CGEDLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143979282 804918687 /nfs/dbraw/zinc/91/86/87/804918687.db2.gz XZUWDBLMPRNHBR-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143979282 804918691 /nfs/dbraw/zinc/91/86/91/804918691.db2.gz XZUWDBLMPRNHBR-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C=CC[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001144008982 804923155 /nfs/dbraw/zinc/92/31/55/804923155.db2.gz WSMDMEOFERKWQW-LBPRGKRZSA-N 1 2 255.321 3.023 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001144743838 805051430 /nfs/dbraw/zinc/05/14/30/805051430.db2.gz BZARAYQHICHQLJ-AWEZNQCLSA-N 1 2 257.362 3.032 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144743838 805051440 /nfs/dbraw/zinc/05/14/40/805051440.db2.gz BZARAYQHICHQLJ-AWEZNQCLSA-N 1 2 257.362 3.032 20 30 CGEDLO Cc1cccc2c1C[N@H+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001249082040 805084654 /nfs/dbraw/zinc/08/46/54/805084654.db2.gz FPEUDRHAEIGVHO-UHFFFAOYSA-N 1 2 288.354 3.030 20 30 CGEDLO Cc1cccc2c1C[N@@H+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001249082040 805084665 /nfs/dbraw/zinc/08/46/65/805084665.db2.gz FPEUDRHAEIGVHO-UHFFFAOYSA-N 1 2 288.354 3.030 20 30 CGEDLO Cc1cc(C)c(Nc2ccccc2OCC#N)c[nH+]1 ZINC001212597378 815081880 /nfs/dbraw/zinc/08/18/80/815081880.db2.gz QTSAEPUPYNABMT-UHFFFAOYSA-N 1 2 253.305 3.344 20 30 CGEDLO C#C[C@H]1CCCN(c2ccc3c(cc(OC)cc3OC)[nH+]2)C1 ZINC001167008447 807128683 /nfs/dbraw/zinc/12/86/83/807128683.db2.gz XPGVFRJGCPUZOE-ZDUSSCGKSA-N 1 2 296.370 3.102 20 30 CGEDLO C=C(C)CN(CC)c1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001167050637 807136931 /nfs/dbraw/zinc/13/69/31/807136931.db2.gz DAKVOMOMYPKREE-UHFFFAOYSA-N 1 2 276.380 3.278 20 30 CGEDLO CC[C@H](C#N)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257825459 807222938 /nfs/dbraw/zinc/22/29/38/807222938.db2.gz AGICLACBUZZJHI-KLAILNCOSA-N 1 2 272.392 3.406 20 30 CGEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@](C)(C#N)CC(C)C ZINC001258115039 807312909 /nfs/dbraw/zinc/31/29/09/807312909.db2.gz DKZQRYPIHJDSLO-HIFRSBDPSA-N 1 2 268.401 3.026 20 30 CGEDLO C[C@@H](Cc1ccco1)[N@H+](CCC#N)Cc1cccnc1 ZINC001258185988 807348818 /nfs/dbraw/zinc/34/88/18/807348818.db2.gz JIUDMUGGWUMQLB-AWEZNQCLSA-N 1 2 269.348 3.021 20 30 CGEDLO C[C@@H](Cc1ccco1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258185988 807348824 /nfs/dbraw/zinc/34/88/24/807348824.db2.gz JIUDMUGGWUMQLB-AWEZNQCLSA-N 1 2 269.348 3.021 20 30 CGEDLO CCCc1cc(NCCCCC#N)nc(CCC)[nH+]1 ZINC001168429237 807413066 /nfs/dbraw/zinc/41/30/66/807413066.db2.gz NSDYKQAPAHIDEU-UHFFFAOYSA-N 1 2 260.385 3.487 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518968 807484236 /nfs/dbraw/zinc/48/42/36/807484236.db2.gz KVDTTYGUEGXZOV-INIZCTEOSA-N 1 2 294.439 3.226 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC001258717593 807567910 /nfs/dbraw/zinc/56/79/10/807567910.db2.gz URXZBQHGLUCXIC-IUODEOHRSA-N 1 2 295.810 3.368 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+]1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001258733611 807578704 /nfs/dbraw/zinc/57/87/04/807578704.db2.gz JWNJERSLTHOHQN-IUODEOHRSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCC[C@@H](C)[N@H+]1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001258733611 807578709 /nfs/dbraw/zinc/57/87/09/807578709.db2.gz JWNJERSLTHOHQN-IUODEOHRSA-N 1 2 292.810 3.168 20 30 CGEDLO Cc1c(N)cc[nH+]c1N[C@](C)(C#N)c1ccccc1Cl ZINC001169377210 807634777 /nfs/dbraw/zinc/63/47/77/807634777.db2.gz XRWYGWNMZQBEQG-OAHLLOKOSA-N 1 2 286.766 3.477 20 30 CGEDLO C/C(=C\C=C\[NH3+])N[C@](C)(C#N)c1ccccc1Cl ZINC001169380979 807636216 /nfs/dbraw/zinc/63/62/16/807636216.db2.gz LQNDHBJLEDCMCE-BEGPUCJSSA-N 1 2 261.756 3.045 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(NC=CC(=O)C(F)(F)F)c1 ZINC001169480723 807649750 /nfs/dbraw/zinc/64/97/50/807649750.db2.gz RTMODEFYWGVBTG-AATRIKPKSA-N 1 2 295.264 3.144 20 30 CGEDLO CC[C@H]1C[C@@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001170169806 807785286 /nfs/dbraw/zinc/78/52/86/807785286.db2.gz GEVIHQJJFKJTNO-KBPBESRZSA-N 1 2 250.386 3.150 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C1CC1 ZINC001261829375 807790895 /nfs/dbraw/zinc/79/08/95/807790895.db2.gz NVYCHWYQINLJLR-UHFFFAOYSA-N 1 2 253.349 3.227 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C1CC1 ZINC001261829375 807790898 /nfs/dbraw/zinc/79/08/98/807790898.db2.gz NVYCHWYQINLJLR-UHFFFAOYSA-N 1 2 253.349 3.227 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170449424 807845522 /nfs/dbraw/zinc/84/55/22/807845522.db2.gz MLZSHZMPOFSSLC-OAHLLOKOSA-N 1 2 288.391 3.362 20 30 CGEDLO CCCC[N@H+](CC#N)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170449424 807845513 /nfs/dbraw/zinc/84/55/13/807845513.db2.gz MLZSHZMPOFSSLC-OAHLLOKOSA-N 1 2 288.391 3.362 20 30 CGEDLO CC1(C)[C@@H]2C[C@@H]([N@H+](CCC#N)Cc3cccnc3)C[C@@H]21 ZINC001170737936 807895220 /nfs/dbraw/zinc/89/52/20/807895220.db2.gz DQFWMOLABZCXJY-PHZGNYQRSA-N 1 2 269.392 3.232 20 30 CGEDLO CC1(C)[C@@H]2C[C@@H]([N@@H+](CCC#N)Cc3cccnc3)C[C@@H]21 ZINC001170737936 807895228 /nfs/dbraw/zinc/89/52/28/807895228.db2.gz DQFWMOLABZCXJY-PHZGNYQRSA-N 1 2 269.392 3.232 20 30 CGEDLO Cc1cc2cc(NCCOc3ccc(C#N)cc3)[nH+]cc2[nH]1 ZINC001171482631 808072779 /nfs/dbraw/zinc/07/27/79/808072779.db2.gz PWKOMHPWKPGGQB-UHFFFAOYSA-N 1 2 292.342 3.234 20 30 CGEDLO Cc1cc(C)c(NC(=O)Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC001264804231 808094869 /nfs/dbraw/zinc/09/48/69/808094869.db2.gz XCWMKNMEWOOXJO-UHFFFAOYSA-N 1 2 279.343 3.060 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@@H+]1CCCC[C@@H]1C#N)C2 ZINC001171571215 808101396 /nfs/dbraw/zinc/10/13/96/808101396.db2.gz VIRIZGVAWZVEOL-JKSUJKDBSA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1cccc2c1CC[C@H]([N@H+]1CCCC[C@@H]1C#N)C2 ZINC001171571215 808101398 /nfs/dbraw/zinc/10/13/98/808101398.db2.gz VIRIZGVAWZVEOL-JKSUJKDBSA-N 1 2 254.377 3.230 20 30 CGEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171915947 808153896 /nfs/dbraw/zinc/15/38/96/808153896.db2.gz NILOCCXHYBLPDV-NRXISQOPSA-N 1 2 294.439 3.415 20 30 CGEDLO C[C@H](CCCC#N)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172498158 808354991 /nfs/dbraw/zinc/35/49/91/808354991.db2.gz JGIVQHFDUZXDQQ-MLGOLLRUSA-N 1 2 294.345 3.420 20 30 CGEDLO C[C@H](CCCC#N)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172498158 808354998 /nfs/dbraw/zinc/35/49/98/808354998.db2.gz JGIVQHFDUZXDQQ-MLGOLLRUSA-N 1 2 294.345 3.420 20 30 CGEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001172508131 808364802 /nfs/dbraw/zinc/36/48/02/808364802.db2.gz GOOOIXZHJFELIC-RBSFLKMASA-N 1 2 287.444 3.028 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172653290 808409462 /nfs/dbraw/zinc/40/94/62/808409462.db2.gz HMQLSNOPDCTHAL-OAHLLOKOSA-N 1 2 252.402 3.395 20 30 CGEDLO N#Cc1c(F)cc(Nc2cccc3[nH+]c[nH]c32)cc1F ZINC001213034311 815208372 /nfs/dbraw/zinc/20/83/72/815208372.db2.gz CKCXQNDQUQADOF-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001267686307 808470839 /nfs/dbraw/zinc/47/08/39/808470839.db2.gz NBHHZZPHPKFHTF-UHFFFAOYSA-N 1 2 298.858 3.003 20 30 CGEDLO CCCOC1CCC([NH2+][C@@](C)(C#N)CCC)CC1 ZINC001173096533 808507659 /nfs/dbraw/zinc/50/76/59/808507659.db2.gz ZTFUEEXFXHNSTI-YMAMQOFZSA-N 1 2 252.402 3.396 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001268446749 808587205 /nfs/dbraw/zinc/58/72/05/808587205.db2.gz KQFBOSMGIKMMFA-KBXCAEBGSA-N 1 2 286.419 3.150 20 30 CGEDLO CCOC(=O)[C@H]1CC12CCC([NH2+][C@](C)(C#N)C(C)C)CC2 ZINC001173605052 808652138 /nfs/dbraw/zinc/65/21/38/808652138.db2.gz VWWMLNIBSXGLJG-OGOZQZCJSA-N 1 2 292.423 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001269307056 808667598 /nfs/dbraw/zinc/66/75/98/808667598.db2.gz MYOXOJQCZKVSBV-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001269307056 808667602 /nfs/dbraw/zinc/66/76/02/808667602.db2.gz MYOXOJQCZKVSBV-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO Cc1nsc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1C#N ZINC001213085836 815229273 /nfs/dbraw/zinc/22/92/73/815229273.db2.gz ZFIAXNSDMLBQMP-UHFFFAOYSA-N 1 2 281.344 3.457 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)CCCC(C)C)cc2C1 ZINC001274036740 808867892 /nfs/dbraw/zinc/86/78/92/808867892.db2.gz RRUWEPDLAGRYDI-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)CCCC(C)C)cc2C1 ZINC001274036740 808867898 /nfs/dbraw/zinc/86/78/98/808867898.db2.gz RRUWEPDLAGRYDI-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001282410953 809247193 /nfs/dbraw/zinc/24/71/93/809247193.db2.gz GOUODNLVGJEAMH-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001282410953 809247196 /nfs/dbraw/zinc/24/71/96/809247196.db2.gz GOUODNLVGJEAMH-HUUCEWRRSA-N 1 2 298.858 3.312 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(OC(C)C)c(F)c2)cc[nH+]1 ZINC001213417354 815278382 /nfs/dbraw/zinc/27/83/82/815278382.db2.gz LSPMDPLCCXWWFY-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO N#Cc1ccc(F)cc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175716852 809519152 /nfs/dbraw/zinc/51/91/52/809519152.db2.gz AAIQYTDGDUZSOW-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO Cc1cc(C)c(-n2cc(C#N)c3cc(N)ccc32)c[nH+]1 ZINC001213518631 815296639 /nfs/dbraw/zinc/29/66/39/815296639.db2.gz YTSZUXRWYCQRPR-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO C#Cc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001175975933 809589418 /nfs/dbraw/zinc/58/94/18/809589418.db2.gz ZBDRQRYUMLDDBW-UHFFFAOYSA-N 1 2 292.382 3.244 20 30 CGEDLO C#CCOc1ccc(Nc2c[nH+]cc(C)c2C)cc1 ZINC001213532583 815301648 /nfs/dbraw/zinc/30/16/48/815301648.db2.gz PNTYIJRSAPCPJN-UHFFFAOYSA-N 1 2 252.317 3.454 20 30 CGEDLO Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)c(C#N)c1 ZINC001176750520 809757565 /nfs/dbraw/zinc/75/75/65/809757565.db2.gz WZOFXQMPUNKYKK-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO C[C@H](C(=O)Nc1sc2ccccc2c1C#N)n1cc[nH+]c1 ZINC001177921570 809831801 /nfs/dbraw/zinc/83/18/01/809831801.db2.gz GPZOMYRMETUVLH-SNVBAGLBSA-N 1 2 296.355 3.169 20 30 CGEDLO C#Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184963822 810225411 /nfs/dbraw/zinc/22/54/11/810225411.db2.gz BBBVOAURLXFTNJ-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO N#Cc1ccc(O)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184968996 810226413 /nfs/dbraw/zinc/22/64/13/810226413.db2.gz TYUYJMQGFUZWOT-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO COc1cc[nH+]c(Nc2ccc(C#N)cc2Cl)c1 ZINC001213989611 815355162 /nfs/dbraw/zinc/35/51/62/815355162.db2.gz FUHBWYWOSBOGNP-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC(C)=C(C)C)CC1 ZINC001196781894 811367179 /nfs/dbraw/zinc/36/71/79/811367179.db2.gz CCYMGBXKWWAEBP-UHFFFAOYSA-N 1 2 284.831 3.020 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC(C)=C(C)C)CC1 ZINC001196781894 811367187 /nfs/dbraw/zinc/36/71/87/811367187.db2.gz CCYMGBXKWWAEBP-UHFFFAOYSA-N 1 2 284.831 3.020 20 30 CGEDLO COc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1C#N ZINC001214998899 815474618 /nfs/dbraw/zinc/47/46/18/815474618.db2.gz NIEDMVAKTCJHIB-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO N#Cc1ccc(C(F)(F)F)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201293268 811811763 /nfs/dbraw/zinc/81/17/63/811811763.db2.gz ZWXWWQZKLQJNES-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO CCN(C)c1ccc(NC=Cc2ccc(C#N)cc2)c[nH+]1 ZINC001203302866 812303608 /nfs/dbraw/zinc/30/36/08/812303608.db2.gz DRBRPVWEPXWOLM-ZHACJKMWSA-N 1 2 278.359 3.492 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(F)c2OC(C)C)cc[nH+]1 ZINC001215421535 815518884 /nfs/dbraw/zinc/51/88/84/815518884.db2.gz ZFMARNXEPMBRQO-UHFFFAOYSA-N 1 2 288.297 3.294 20 30 CGEDLO COc1ccc(Nc2ccc(C)[nH+]c2C)c(C#N)c1 ZINC001203374068 812329444 /nfs/dbraw/zinc/32/94/44/812329444.db2.gz SBUPPPSOCABTSS-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO COc1cc(C#N)c(F)cc1Nc1ccc(C)[nH+]c1C ZINC001203376978 812331381 /nfs/dbraw/zinc/33/13/81/812331381.db2.gz YFFMOGQICHTYEA-UHFFFAOYSA-N 1 2 271.295 3.461 20 30 CGEDLO CNc1ccc(Nc2c(F)ccc(F)c2C#N)c[nH+]1 ZINC001203462068 812370720 /nfs/dbraw/zinc/37/07/20/812370720.db2.gz IODUAYDRCSNLCB-UHFFFAOYSA-N 1 2 260.247 3.017 20 30 CGEDLO CSc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204139045 812554311 /nfs/dbraw/zinc/55/43/11/812554311.db2.gz UPVZWMUQYYFDCR-CQSZACIVSA-N 1 2 291.441 3.183 20 30 CGEDLO CSc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204139045 812554316 /nfs/dbraw/zinc/55/43/16/812554316.db2.gz UPVZWMUQYYFDCR-CQSZACIVSA-N 1 2 291.441 3.183 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC001204231003 812580470 /nfs/dbraw/zinc/58/04/70/812580470.db2.gz OAZKEHPTCMASRP-UHFFFAOYSA-N 1 2 252.308 3.481 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC001204231003 812580475 /nfs/dbraw/zinc/58/04/75/812580475.db2.gz OAZKEHPTCMASRP-UHFFFAOYSA-N 1 2 252.308 3.481 20 30 CGEDLO Cc1cc(C#N)cc(C#N)c1Nc1ccn2cc[nH+]c2c1 ZINC001204983330 812809823 /nfs/dbraw/zinc/80/98/23/812809823.db2.gz RZFTYTBMEUJWRP-UHFFFAOYSA-N 1 2 273.299 3.130 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OC ZINC001207128989 813492880 /nfs/dbraw/zinc/49/28/80/813492880.db2.gz IXSALRBEZYSUOP-GOEBONIOSA-N 1 2 275.392 3.278 20 30 CGEDLO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@@H]1C#N ZINC001207678552 813634091 /nfs/dbraw/zinc/63/40/91/813634091.db2.gz NXGWJYDZZSHBLR-HUUCEWRRSA-N 1 2 266.429 3.332 20 30 CGEDLO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@@H]1C#N ZINC001207678552 813634095 /nfs/dbraw/zinc/63/40/95/813634095.db2.gz NXGWJYDZZSHBLR-HUUCEWRRSA-N 1 2 266.429 3.332 20 30 CGEDLO N#Cc1ccc(CC[N@H+]2CCCCC(F)(F)C2)cc1 ZINC001208920575 813899893 /nfs/dbraw/zinc/89/98/93/813899893.db2.gz LVEBINYFOIZRQZ-UHFFFAOYSA-N 1 2 264.319 3.222 20 30 CGEDLO N#Cc1ccc(CC[N@@H+]2CCCCC(F)(F)C2)cc1 ZINC001208920575 813899900 /nfs/dbraw/zinc/89/99/00/813899900.db2.gz LVEBINYFOIZRQZ-UHFFFAOYSA-N 1 2 264.319 3.222 20 30 CGEDLO C=CCCCN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001209164984 813955141 /nfs/dbraw/zinc/95/51/41/813955141.db2.gz MDDDRTGVRWRQRH-AWEZNQCLSA-N 1 2 272.383 3.148 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)C1 ZINC001242743782 823119705 /nfs/dbraw/zinc/11/97/05/823119705.db2.gz BDDSXCISIRIFBC-MKFNJMOCSA-N 1 2 281.359 3.162 20 30 CGEDLO Cc1[nH+]cc(Nc2cccc(Cl)c2C#N)cc1N ZINC001210289988 814386419 /nfs/dbraw/zinc/38/64/19/814386419.db2.gz CZYCZCZSHQRPGE-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO COc1cc(Nc2c(F)cccc2C#N)cc(C)[nH+]1 ZINC001210780318 814625691 /nfs/dbraw/zinc/62/56/91/814625691.db2.gz PBEJBRRSKWIREE-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO COc1cc(Nc2c(C#N)cccc2OC)cc(C)[nH+]1 ZINC001210781247 814627248 /nfs/dbraw/zinc/62/72/48/814627248.db2.gz POWFODBJCSNVLX-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO C#Cc1cc(Nc2cnc(F)c(-c3ccccc3)c2)cc[nH+]1 ZINC001215958345 815641748 /nfs/dbraw/zinc/64/17/48/815641748.db2.gz NPLGPPARPUWYGZ-UHFFFAOYSA-N 1 2 289.313 3.430 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C#N)c1C ZINC001216177218 815722322 /nfs/dbraw/zinc/72/23/22/815722322.db2.gz FMPDDZXZEGUZQN-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO C=CCn1cc(-c2ccc(-c3c[nH+]cn3C)cc2)cn1 ZINC001222400458 816433632 /nfs/dbraw/zinc/43/36/32/816433632.db2.gz UVQWNXGYAGHKEL-UHFFFAOYSA-N 1 2 264.332 3.137 20 30 CGEDLO Cn1c[nH+]cc1COC(C#CC(C)(C)C)C#CC(C)(C)C ZINC001222601023 816476221 /nfs/dbraw/zinc/47/62/21/816476221.db2.gz XPUIEAPTJCWHQW-UHFFFAOYSA-N 1 2 286.419 3.404 20 30 CGEDLO C=CCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224339148 816782061 /nfs/dbraw/zinc/78/20/61/816782061.db2.gz FJCJTPMWZVUBBD-NSHDSACASA-N 1 2 286.828 3.354 20 30 CGEDLO C=CCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224339148 816782066 /nfs/dbraw/zinc/78/20/66/816782066.db2.gz FJCJTPMWZVUBBD-NSHDSACASA-N 1 2 286.828 3.354 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588868 818128813 /nfs/dbraw/zinc/12/88/13/818128813.db2.gz XJLAHLSTEPUVIJ-ZDUSSCGKSA-N 1 2 252.317 3.033 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588868 818128815 /nfs/dbraw/zinc/12/88/15/818128815.db2.gz XJLAHLSTEPUVIJ-ZDUSSCGKSA-N 1 2 252.317 3.033 20 30 CGEDLO C#Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC001231659600 818152338 /nfs/dbraw/zinc/15/23/38/818152338.db2.gz PMOJZJYIDLNRRJ-KRWDZBQOSA-N 1 2 299.414 3.364 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1 ZINC001231659600 818152342 /nfs/dbraw/zinc/15/23/42/818152342.db2.gz PMOJZJYIDLNRRJ-KRWDZBQOSA-N 1 2 299.414 3.364 20 30 CGEDLO CC[N@H+](Cc1cc(C#N)ccn1)Cc1ccccc1F ZINC001232479784 818364034 /nfs/dbraw/zinc/36/40/34/818364034.db2.gz XYHMYRCMXROAFJ-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cc(C#N)ccn1)Cc1ccccc1F ZINC001232479784 818364039 /nfs/dbraw/zinc/36/40/39/818364039.db2.gz XYHMYRCMXROAFJ-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001232679647 818417016 /nfs/dbraw/zinc/41/70/16/818417016.db2.gz PJNLTDNAFBLFLI-CABCVRRESA-N 1 2 270.376 3.276 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001232679647 818417021 /nfs/dbraw/zinc/41/70/21/818417021.db2.gz PJNLTDNAFBLFLI-CABCVRRESA-N 1 2 270.376 3.276 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001232679552 818417643 /nfs/dbraw/zinc/41/76/43/818417643.db2.gz NPUSKBWWJRAWAW-KRWDZBQOSA-N 1 2 293.370 3.386 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3ncsc3c2)C1 ZINC001232743607 818432528 /nfs/dbraw/zinc/43/25/28/818432528.db2.gz CNFYQOZGSWXTID-CQSZACIVSA-N 1 2 257.362 3.032 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232743607 818432533 /nfs/dbraw/zinc/43/25/33/818432533.db2.gz CNFYQOZGSWXTID-CQSZACIVSA-N 1 2 257.362 3.032 20 30 CGEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233047353 818509106 /nfs/dbraw/zinc/50/91/06/818509106.db2.gz XHTZHTULZNOHJT-INIZCTEOSA-N 1 2 281.359 3.232 20 30 CGEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1[nH]ccc1C#N ZINC001233047353 818509110 /nfs/dbraw/zinc/50/91/10/818509110.db2.gz XHTZHTULZNOHJT-INIZCTEOSA-N 1 2 281.359 3.232 20 30 CGEDLO C#CC1CC[NH+](Cc2ccc(Cl)c(F)c2F)CC1 ZINC001233211640 818540877 /nfs/dbraw/zinc/54/08/77/818540877.db2.gz ARKKKEWUEYWSFD-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO C#CC[NH+]1CCN(Cc2c(Cl)cc(C)cc2Cl)CC1 ZINC001235182074 819026780 /nfs/dbraw/zinc/02/67/80/819026780.db2.gz MFXLQWURTQWIPI-UHFFFAOYSA-N 1 2 297.229 3.053 20 30 CGEDLO CC(C)OC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235656322 819130730 /nfs/dbraw/zinc/13/07/30/819130730.db2.gz CEVABNFISYPUQB-UHFFFAOYSA-N 1 2 294.345 3.226 20 30 CGEDLO N#Cc1cc2ccc(-c3ccc(N)[nH+]c3)cc2cc1C#N ZINC001236316919 819422372 /nfs/dbraw/zinc/42/23/72/819422372.db2.gz QOWXXWIFGMZGTD-UHFFFAOYSA-N 1 2 270.295 3.227 20 30 CGEDLO COc1ccc2sc(C[N@@H+]3CC[C@@H](C#N)C3)cc2c1 ZINC001236661078 819566019 /nfs/dbraw/zinc/56/60/19/819566019.db2.gz GOQNUCJFHNXYAK-NSHDSACASA-N 1 2 272.373 3.255 20 30 CGEDLO COc1ccc2sc(C[N@H+]3CC[C@@H](C#N)C3)cc2c1 ZINC001236661078 819566023 /nfs/dbraw/zinc/56/60/23/819566023.db2.gz GOQNUCJFHNXYAK-NSHDSACASA-N 1 2 272.373 3.255 20 30 CGEDLO N#Cc1cc2ccc(-c3ccc[nH+]c3N)cc2s1 ZINC001243475391 823414872 /nfs/dbraw/zinc/41/48/72/823414872.db2.gz YEHINFSJJMIEIR-UHFFFAOYSA-N 1 2 251.314 3.417 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc(N)c1 ZINC001237217225 819699769 /nfs/dbraw/zinc/69/97/69/819699769.db2.gz RNOOSXIXTSWJMG-UHFFFAOYSA-N 1 2 265.360 3.185 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc(N)c1 ZINC001237217225 819699771 /nfs/dbraw/zinc/69/97/71/819699771.db2.gz RNOOSXIXTSWJMG-UHFFFAOYSA-N 1 2 265.360 3.185 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(-c2ccccc2)ncc1Cl ZINC001238623909 820065957 /nfs/dbraw/zinc/06/59/57/820065957.db2.gz CIQCFKVDLHIHHR-UHFFFAOYSA-N 1 2 270.763 3.467 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(-c2ccccc2)ncc1Cl ZINC001238623909 820065963 /nfs/dbraw/zinc/06/59/63/820065963.db2.gz CIQCFKVDLHIHHR-UHFFFAOYSA-N 1 2 270.763 3.467 20 30 CGEDLO Cc1c(-c2ccccc2OCC#N)ccc2[nH+]ccn21 ZINC001243586650 823457150 /nfs/dbraw/zinc/45/71/50/823457150.db2.gz LWZXIAWTMQGPQL-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO N#CCOc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001243590811 823458917 /nfs/dbraw/zinc/45/89/17/823458917.db2.gz OGHXSUUGOLICJF-UHFFFAOYSA-N 1 2 275.311 3.442 20 30 CGEDLO Cc1cc(CO)cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001243700809 823493052 /nfs/dbraw/zinc/49/30/52/823493052.db2.gz KAGRNYLLXNGPAB-UDWIEESQSA-N 1 2 293.370 3.247 20 30 CGEDLO COc1cc(-c2ccc3[nH+]ccn3c2)cc(F)c1C#N ZINC001240222074 820899559 /nfs/dbraw/zinc/89/95/59/820899559.db2.gz WOGZYJZXFQAXEG-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO N#CCc1cc(F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001240511597 821107083 /nfs/dbraw/zinc/10/70/83/821107083.db2.gz IWOJOUOYZJTHJS-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO CN(C)C=[NH+]c1ccc(-c2ccc3c[nH]nc3c2)cc1C#N ZINC001240557827 821142358 /nfs/dbraw/zinc/14/23/58/821142358.db2.gz DVPWGZYVLDUSDR-YBFXNURJSA-N 1 2 289.342 3.323 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(C#N)cc1C ZINC001242473499 823004793 /nfs/dbraw/zinc/00/47/93/823004793.db2.gz BSTVQOCQNZCRBS-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO C#CCOCC[N@@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001339175817 936355612 /nfs/dbraw/zinc/35/56/12/936355612.db2.gz RTVOMGXNOKZIKE-UHFFFAOYSA-N 1 2 292.448 3.272 20 30 CGEDLO C#CCOCC[N@H+](C)Cc1nc(C2CCCCC2)cs1 ZINC001339175817 936355616 /nfs/dbraw/zinc/35/56/16/936355616.db2.gz RTVOMGXNOKZIKE-UHFFFAOYSA-N 1 2 292.448 3.272 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001343151980 936489980 /nfs/dbraw/zinc/48/99/80/936489980.db2.gz ALUAYUOIZSZXDS-KBPBESRZSA-N 1 2 273.380 3.056 20 30 CGEDLO C=C(CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001348561019 936926596 /nfs/dbraw/zinc/92/65/96/936926596.db2.gz ZNLNLGMSMIGFOY-LLVKDONJSA-N 1 2 293.436 3.280 20 30 CGEDLO C=C(CC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001348561019 936926599 /nfs/dbraw/zinc/92/65/99/936926599.db2.gz ZNLNLGMSMIGFOY-LLVKDONJSA-N 1 2 293.436 3.280 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)CC ZINC001480325370 937046568 /nfs/dbraw/zinc/04/65/68/937046568.db2.gz WOQBIAKNYRIJQZ-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)CC ZINC001480325370 937046569 /nfs/dbraw/zinc/04/65/69/937046569.db2.gz WOQBIAKNYRIJQZ-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO CC[C@H]([NH2+]CCCC(F)F)c1cccc(C#N)c1O ZINC001354254395 937095934 /nfs/dbraw/zinc/09/59/34/937095934.db2.gz BMSVHUJJZYKJPQ-LBPRGKRZSA-N 1 2 268.307 3.350 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC=CCCC1 ZINC001480982115 926850906 /nfs/dbraw/zinc/85/09/06/926850906.db2.gz KHUHUMBLPMIZSQ-OAHLLOKOSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC=CCCC1 ZINC001480982115 926850918 /nfs/dbraw/zinc/85/09/18/926850918.db2.gz KHUHUMBLPMIZSQ-OAHLLOKOSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001481011152 926858163 /nfs/dbraw/zinc/85/81/63/926858163.db2.gz RRBHVHJTEQXWFD-ZDUSSCGKSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001481011152 926858170 /nfs/dbraw/zinc/85/81/70/926858170.db2.gz RRBHVHJTEQXWFD-ZDUSSCGKSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C12CCC(CC1)CC2 ZINC001481017921 926860546 /nfs/dbraw/zinc/86/05/46/926860546.db2.gz BNCPONNFBRPKHH-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C12CCC(CC1)CC2 ZINC001481017921 926860558 /nfs/dbraw/zinc/86/05/58/926860558.db2.gz BNCPONNFBRPKHH-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=CCC(CC=C)C(=O)NC1C[NH+](Cc2ccccc2C)C1 ZINC001481561668 927024131 /nfs/dbraw/zinc/02/41/31/927024131.db2.gz QKOKGQOOJRXZTG-UHFFFAOYSA-N 1 2 298.430 3.064 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC001307808462 928504572 /nfs/dbraw/zinc/50/45/72/928504572.db2.gz QIMOBXLEEAKHLI-UHFFFAOYSA-N 1 2 293.345 3.382 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC001307808462 928504575 /nfs/dbraw/zinc/50/45/75/928504575.db2.gz QIMOBXLEEAKHLI-UHFFFAOYSA-N 1 2 293.345 3.382 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OC ZINC001462502770 928792923 /nfs/dbraw/zinc/79/29/23/928792923.db2.gz IDQBQQTXQASBJG-GOEBONIOSA-N 1 2 275.392 3.105 20 30 CGEDLO C#CC[N@@H+]([C@@H](C)C(=O)OCCC)[C@@H]1CCCc2ccccc21 ZINC001460837570 937547953 /nfs/dbraw/zinc/54/79/53/937547953.db2.gz PNUXDGWHCPWZEY-MAUKXSAKSA-N 1 2 299.414 3.341 20 30 CGEDLO C#CC[N@H+]([C@@H](C)C(=O)OCCC)[C@@H]1CCCc2ccccc21 ZINC001460837570 937547954 /nfs/dbraw/zinc/54/79/54/937547954.db2.gz PNUXDGWHCPWZEY-MAUKXSAKSA-N 1 2 299.414 3.341 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001460913827 937552507 /nfs/dbraw/zinc/55/25/07/937552507.db2.gz JDTAMLQAZUBSJK-CQSZACIVSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001460913827 937552508 /nfs/dbraw/zinc/55/25/08/937552508.db2.gz JDTAMLQAZUBSJK-CQSZACIVSA-N 1 2 290.794 3.075 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cccc(C#N)c1F ZINC001216412961 932018866 /nfs/dbraw/zinc/01/88/66/932018866.db2.gz BSDOCSQICIQAGX-UHFFFAOYSA-N 1 2 257.268 3.235 20 30 CGEDLO Cn1c[nH+]cc1-c1ccc(O[C@@H]2CC[C@H](C#N)C2)cc1 ZINC001231081773 932674819 /nfs/dbraw/zinc/67/48/19/932674819.db2.gz LYAXXMDFVGNYOE-SWLSCSKDSA-N 1 2 267.332 3.158 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C(=O)OCC ZINC001462192643 937623754 /nfs/dbraw/zinc/62/37/54/937623754.db2.gz YAXKOELWNUTZBT-DLBZAZTESA-N 1 2 287.403 3.031 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC001462215981 937626053 /nfs/dbraw/zinc/62/60/53/937626053.db2.gz NQCXGMUNXYGCEB-UHFFFAOYSA-N 1 2 287.309 3.306 20 30 CGEDLO N#Cc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001249706897 932716711 /nfs/dbraw/zinc/71/67/11/932716711.db2.gz KVHHAWICDGWQNW-UHFFFAOYSA-N 1 2 260.300 3.488 20 30 CGEDLO Cc1cc(Oc2cccc(-n3cc[nH+]c3)c2)ncc1C#N ZINC001306973361 932903451 /nfs/dbraw/zinc/90/34/51/932903451.db2.gz VEDPIJXKJDRZMU-UHFFFAOYSA-N 1 2 276.299 3.240 20 30 CGEDLO C#CCOCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC001307586021 932973061 /nfs/dbraw/zinc/97/30/61/932973061.db2.gz DELDOTFMHOUXJJ-UHFFFAOYSA-N 1 2 284.186 3.001 20 30 CGEDLO C#CCOCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC001307586021 932973067 /nfs/dbraw/zinc/97/30/67/932973067.db2.gz DELDOTFMHOUXJJ-UHFFFAOYSA-N 1 2 284.186 3.001 20 30 CGEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC001307955378 933025020 /nfs/dbraw/zinc/02/50/20/933025020.db2.gz UPJZACFBKVUMJR-UHFFFAOYSA-N 1 2 294.439 3.370 20 30 CGEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC001307955378 933025024 /nfs/dbraw/zinc/02/50/24/933025024.db2.gz UPJZACFBKVUMJR-UHFFFAOYSA-N 1 2 294.439 3.370 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Cl ZINC001317172891 933548128 /nfs/dbraw/zinc/54/81/28/933548128.db2.gz GOLXTYUQJDKQBL-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Cl ZINC001317172891 933548137 /nfs/dbraw/zinc/54/81/37/933548137.db2.gz GOLXTYUQJDKQBL-GJZGRUSLSA-N 1 2 298.858 3.312 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2CCOCC2)c1 ZINC001321825892 934214622 /nfs/dbraw/zinc/21/46/22/934214622.db2.gz AQNULUZJMPETKT-SFQUDFHCSA-N 1 2 277.364 3.027 20 30 CGEDLO CCCCCCN(O)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001472621195 937778424 /nfs/dbraw/zinc/77/84/24/937778424.db2.gz KOLMMJXRKBAICM-OAHLLOKOSA-N 1 2 278.396 3.087 20 30 CGEDLO C#CC[N@@H+](CC)Cc1c(Cl)cccc1OCC ZINC001473206985 937797279 /nfs/dbraw/zinc/79/72/79/937797279.db2.gz OCGUAZIJSVGNRU-UHFFFAOYSA-N 1 2 251.757 3.194 20 30 CGEDLO C#CC[N@H+](CC)Cc1c(Cl)cccc1OCC ZINC001473206985 937797281 /nfs/dbraw/zinc/79/72/81/937797281.db2.gz OCGUAZIJSVGNRU-UHFFFAOYSA-N 1 2 251.757 3.194 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccccc1F)C(=O)OCC ZINC001326379473 934975496 /nfs/dbraw/zinc/97/54/96/934975496.db2.gz AQXNNAHCTSXEGJ-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO CC(C)(C)c1cn(Cc2ccc(C#N)cc2[N+](=O)[O-])c[nH+]1 ZINC001331945380 935424865 /nfs/dbraw/zinc/42/48/65/935424865.db2.gz IYPALASLICGIOB-UHFFFAOYSA-N 1 2 284.319 3.009 20 30 CGEDLO CCCCCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001473729722 937819489 /nfs/dbraw/zinc/81/94/89/937819489.db2.gz VXOCOKAWHFIOQU-UHFFFAOYSA-N 1 2 274.408 3.306 20 30 CGEDLO CCCCCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001473729722 937819491 /nfs/dbraw/zinc/81/94/91/937819491.db2.gz VXOCOKAWHFIOQU-UHFFFAOYSA-N 1 2 274.408 3.306 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC001474250562 937846216 /nfs/dbraw/zinc/84/62/16/937846216.db2.gz CRJHTTIJXZMTOH-MRVPVSSYSA-N 1 2 276.233 3.116 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474388517 937856736 /nfs/dbraw/zinc/85/67/36/937856736.db2.gz MGKPDDIVAHTXDH-CQSZACIVSA-N 1 2 264.756 3.171 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474388517 937856737 /nfs/dbraw/zinc/85/67/37/937856737.db2.gz MGKPDDIVAHTXDH-CQSZACIVSA-N 1 2 264.756 3.171 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)C(=O)OCC ZINC001474527700 937864726 /nfs/dbraw/zinc/86/47/26/937864726.db2.gz DAQNMZSUEBUVMI-RRFJBIMHSA-N 1 2 297.439 3.066 20 30 CGEDLO CCCCCCCCCNC(=O)NCc1ccc[nH+]c1N ZINC001477449800 937895502 /nfs/dbraw/zinc/89/55/02/937895502.db2.gz HWERIUAQQMVZNE-UHFFFAOYSA-N 1 2 292.427 3.214 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CC2CCCCC2)C1 ZINC001506592984 937990887 /nfs/dbraw/zinc/99/08/87/937990887.db2.gz MTVZDDFODMABCI-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C#Cc1ccc(CNc2cc(CC)[nH+]c(CC)n2)cc1 ZINC001559195505 938222077 /nfs/dbraw/zinc/22/20/77/938222077.db2.gz LDOAHJHILSALPZ-UHFFFAOYSA-N 1 2 265.360 3.195 20 30 CGEDLO C=CCC[NH2+][C@H](Cc1cccc2ccccc21)C(=O)OCC ZINC001560052767 938242980 /nfs/dbraw/zinc/24/29/80/938242980.db2.gz NHAUKCUOVBJKEX-GOSISDBHSA-N 1 2 297.398 3.480 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC001560209872 938247308 /nfs/dbraw/zinc/24/73/08/938247308.db2.gz ZPYKBYWBMQSXIA-CQSZACIVSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC001560209872 938247309 /nfs/dbraw/zinc/24/73/09/938247309.db2.gz ZPYKBYWBMQSXIA-CQSZACIVSA-N 1 2 290.794 3.075 20 30 CGEDLO N#Cc1cc(CNc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC001560391789 938256377 /nfs/dbraw/zinc/25/63/77/938256377.db2.gz MCJOFNJCIZVEIQ-UHFFFAOYSA-N 1 2 280.356 3.418 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)c1ccc(F)cc1 ZINC001560852986 938279723 /nfs/dbraw/zinc/27/97/23/938279723.db2.gz QFTDSIQXVIRBJQ-AWEZNQCLSA-N 1 2 296.301 3.137 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001560967482 938287080 /nfs/dbraw/zinc/28/70/80/938287080.db2.gz INLFKEINPFRYSA-VXGBXAGGSA-N 1 2 273.804 3.229 20 30 CGEDLO CCSc1cc[nH+]c(NCc2ncc(C#N)s2)c1 ZINC001161005553 958836433 /nfs/dbraw/zinc/83/64/33/958836433.db2.gz QPTBTLCOMTWPLF-UHFFFAOYSA-N 1 2 276.390 3.134 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001567342179 960595088 /nfs/dbraw/zinc/59/50/88/960595088.db2.gz BNANMBGGBYREEV-TZMCWYRMSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001567342179 960595101 /nfs/dbraw/zinc/59/51/01/960595101.db2.gz BNANMBGGBYREEV-TZMCWYRMSA-N 1 2 286.847 3.003 20 30 CGEDLO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(CC)CCCCC ZINC001565836052 960828796 /nfs/dbraw/zinc/82/87/96/960828796.db2.gz ZXKLGWAIRSEXMF-SJLPKXTDSA-N 1 2 292.467 3.149 20 30 CGEDLO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(CC)CCCCC ZINC001565836052 960828806 /nfs/dbraw/zinc/82/88/06/960828806.db2.gz ZXKLGWAIRSEXMF-SJLPKXTDSA-N 1 2 292.467 3.149 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590002912 346820852 /nfs/dbraw/zinc/82/08/52/346820852.db2.gz DRKCNSIWVMOQDK-UHFFFAOYSA-N 1 2 267.376 3.389 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590002912 346820853 /nfs/dbraw/zinc/82/08/53/346820853.db2.gz DRKCNSIWVMOQDK-UHFFFAOYSA-N 1 2 267.376 3.389 20 30 CGEDLO CCc1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000590122477 346828689 /nfs/dbraw/zinc/82/86/89/346828689.db2.gz OMRRYMZLLHTITQ-CQSZACIVSA-N 1 2 284.363 3.157 20 30 CGEDLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2O1 ZINC000590655647 346859733 /nfs/dbraw/zinc/85/97/33/346859733.db2.gz GFTCTZLQMLHYOW-ZWNOBZJWSA-N 1 2 285.372 3.017 20 30 CGEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761181 398284240 /nfs/dbraw/zinc/28/42/40/398284240.db2.gz HWESSCDVJVJTSX-FVQBIDKESA-N 1 2 282.391 3.229 20 30 CGEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1nccs1 ZINC000428345290 529630815 /nfs/dbraw/zinc/63/08/15/529630815.db2.gz DRYGJFXRYSUTSJ-ZDUSSCGKSA-N 1 2 275.352 3.395 20 30 CGEDLO CC1(C)c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000591375622 346918390 /nfs/dbraw/zinc/91/83/90/346918390.db2.gz LXAYFLXMTPJHOD-UHFFFAOYSA-N 1 2 283.400 3.308 20 30 CGEDLO CC1(C)c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000591375622 346918392 /nfs/dbraw/zinc/91/83/92/346918392.db2.gz LXAYFLXMTPJHOD-UHFFFAOYSA-N 1 2 283.400 3.308 20 30 CGEDLO C=C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)OC ZINC000591377363 346918996 /nfs/dbraw/zinc/91/89/96/346918996.db2.gz SUXMSUDVVYKMMF-QEJZJMRPSA-N 1 2 293.794 3.293 20 30 CGEDLO Cc1c(Cl)c(C[NH2+][C@H](C)c2cccc(C#N)c2)nn1C ZINC000591501562 346927033 /nfs/dbraw/zinc/92/70/33/346927033.db2.gz QHVMADOQCDVDSF-SNVBAGLBSA-N 1 2 288.782 3.104 20 30 CGEDLO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000426325132 529726125 /nfs/dbraw/zinc/72/61/25/529726125.db2.gz UDONMZGFCGPRHH-SNVBAGLBSA-N 1 2 287.338 3.407 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592188474 346969974 /nfs/dbraw/zinc/96/99/74/346969974.db2.gz RPOIUNUQGSNBFV-JKSUJKDBSA-N 1 2 283.371 3.107 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592188474 346969976 /nfs/dbraw/zinc/96/99/76/346969976.db2.gz RPOIUNUQGSNBFV-JKSUJKDBSA-N 1 2 283.371 3.107 20 30 CGEDLO C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000362311963 530000434 /nfs/dbraw/zinc/00/04/34/530000434.db2.gz FOMQOMGDHKSXCY-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000362311963 530000436 /nfs/dbraw/zinc/00/04/36/530000436.db2.gz FOMQOMGDHKSXCY-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)on1)Cc1cccc(C#N)c1 ZINC000063300572 345244663 /nfs/dbraw/zinc/24/46/63/345244663.db2.gz HMHKZAVUHQXIFT-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)on1)Cc1cccc(C#N)c1 ZINC000063300572 345244664 /nfs/dbraw/zinc/24/46/64/345244664.db2.gz HMHKZAVUHQXIFT-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023855 345491943 /nfs/dbraw/zinc/49/19/43/345491943.db2.gz BSSSIHSMVGMURD-LLVKDONJSA-N 1 2 284.812 3.469 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023855 345491946 /nfs/dbraw/zinc/49/19/46/345491946.db2.gz BSSSIHSMVGMURD-LLVKDONJSA-N 1 2 284.812 3.469 20 30 CGEDLO N#Cc1ccnc(SCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000077566454 345577572 /nfs/dbraw/zinc/57/75/72/345577572.db2.gz YQSOSBCFCYDHAF-UHFFFAOYSA-N 1 2 298.293 3.004 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3nc(C)cc(C)c3C#N)cn2c1 ZINC000077524405 345575755 /nfs/dbraw/zinc/57/57/55/345575755.db2.gz BFFQCXUEMCUJOA-UHFFFAOYSA-N 1 2 291.358 3.138 20 30 CGEDLO Cc1cccn2cc(CCNc3ccc(C#N)cc3F)[nH+]c12 ZINC000080691256 345684281 /nfs/dbraw/zinc/68/42/81/345684281.db2.gz GIBWYFPKAUPDMR-UHFFFAOYSA-N 1 2 294.333 3.308 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000124737958 346013838 /nfs/dbraw/zinc/01/38/38/346013838.db2.gz WQMUQJFKLAJDPJ-UHFFFAOYSA-N 1 2 294.402 3.450 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000124737958 346013840 /nfs/dbraw/zinc/01/38/40/346013840.db2.gz WQMUQJFKLAJDPJ-UHFFFAOYSA-N 1 2 294.402 3.450 20 30 CGEDLO Cc1nc(C2([NH2+]Cc3ccc(C#N)cc3)CCCCC2)no1 ZINC000138842084 346097522 /nfs/dbraw/zinc/09/75/22/346097522.db2.gz NHCYBVSTDDLUAM-UHFFFAOYSA-N 1 2 296.374 3.199 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)C[C@@H](C)C#N)cc(=O)oc2c1C ZINC000143249149 346113699 /nfs/dbraw/zinc/11/36/99/346113699.db2.gz HCJNTGRWEVFOJG-NSHDSACASA-N 1 2 284.359 3.001 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)C[C@@H](C)C#N)cc(=O)oc2c1C ZINC000143249149 346113700 /nfs/dbraw/zinc/11/37/00/346113700.db2.gz HCJNTGRWEVFOJG-NSHDSACASA-N 1 2 284.359 3.001 20 30 CGEDLO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000171953259 346213635 /nfs/dbraw/zinc/21/36/35/346213635.db2.gz NGUFJNVTJBQKOK-NSHDSACASA-N 1 2 294.345 3.190 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1 ZINC000170692104 346197169 /nfs/dbraw/zinc/19/71/69/346197169.db2.gz SZWLOKRPMMSPAG-UHFFFAOYSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1 ZINC000170692104 346197171 /nfs/dbraw/zinc/19/71/71/346197171.db2.gz SZWLOKRPMMSPAG-UHFFFAOYSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000573752079 334963559 /nfs/dbraw/zinc/96/35/59/334963559.db2.gz OOXMDXKUBFRRSR-UHFFFAOYSA-N 1 2 294.358 3.122 20 30 CGEDLO COc1cccc(C[NH2+]CC2(C#N)CCCC2)c1F ZINC000593654607 347100834 /nfs/dbraw/zinc/10/08/34/347100834.db2.gz KJDZMKAPBMOPJL-UHFFFAOYSA-N 1 2 262.328 3.008 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2F)CCCC1 ZINC000405145229 346602867 /nfs/dbraw/zinc/60/28/67/346602867.db2.gz YHUGQVQBJAUFTL-UHFFFAOYSA-N 1 2 250.292 3.138 20 30 CGEDLO N#Cc1csc(C[NH2+][C@H]2CSCc3ccccc32)n1 ZINC000589310628 346793518 /nfs/dbraw/zinc/79/35/18/346793518.db2.gz RFRSYIBGXVBQEE-ZDUSSCGKSA-N 1 2 287.413 3.092 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3Cl)CC2)nc1 ZINC000594015150 347137354 /nfs/dbraw/zinc/13/73/54/347137354.db2.gz GWKUQSFOOMWYSR-UHFFFAOYSA-N 1 2 283.762 3.386 20 30 CGEDLO CC(C)n1ccnc1CNc1[nH+]cccc1OCCCC#N ZINC000594735153 347214940 /nfs/dbraw/zinc/21/49/40/347214940.db2.gz LXQXXLSQXAVYNC-UHFFFAOYSA-N 1 2 299.378 3.154 20 30 CGEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1cccc(C#N)c1 ZINC000595001923 347252696 /nfs/dbraw/zinc/25/26/96/347252696.db2.gz XYFDLZMAMBVNTK-UHFFFAOYSA-N 1 2 252.308 3.329 20 30 CGEDLO N#CC1(C[NH2+]Cc2cn3cccc(F)c3n2)CCCCC1 ZINC000594981331 347248500 /nfs/dbraw/zinc/24/85/00/347248500.db2.gz NHIHTACURQVNNW-UHFFFAOYSA-N 1 2 286.354 3.037 20 30 CGEDLO C=CCCSCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000595059820 347273815 /nfs/dbraw/zinc/27/38/15/347273815.db2.gz PJCZIMQZLLRPRV-AWEZNQCLSA-N 1 2 294.468 3.325 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000595622492 347329275 /nfs/dbraw/zinc/32/92/75/347329275.db2.gz BJYLZFLFMSCAGM-LLVKDONJSA-N 1 2 294.301 3.134 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000595622492 347329277 /nfs/dbraw/zinc/32/92/77/347329277.db2.gz BJYLZFLFMSCAGM-LLVKDONJSA-N 1 2 294.301 3.134 20 30 CGEDLO C[C@H](CC[N@H+]([C@@H](C)C#N)C1CC1)OCc1ccccc1 ZINC000595709905 347344403 /nfs/dbraw/zinc/34/44/03/347344403.db2.gz KAOXNYBHDAXKRZ-LSDHHAIUSA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@H](CC[N@@H+]([C@@H](C)C#N)C1CC1)OCc1ccccc1 ZINC000595709905 347344405 /nfs/dbraw/zinc/34/44/05/347344405.db2.gz KAOXNYBHDAXKRZ-LSDHHAIUSA-N 1 2 272.392 3.358 20 30 CGEDLO COc1cccc(CCC[N@H+]([C@H](C)C#N)C2CC2)c1 ZINC000595721862 347347180 /nfs/dbraw/zinc/34/71/80/347347180.db2.gz WRDJRTNJKDYODX-CYBMUJFWSA-N 1 2 258.365 3.004 20 30 CGEDLO COc1cccc(CCC[N@@H+]([C@H](C)C#N)C2CC2)c1 ZINC000595721862 347347182 /nfs/dbraw/zinc/34/71/82/347347182.db2.gz WRDJRTNJKDYODX-CYBMUJFWSA-N 1 2 258.365 3.004 20 30 CGEDLO COCC[C@@H]1CCCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595442411 347304342 /nfs/dbraw/zinc/30/43/42/347304342.db2.gz QYLAXKUZWJWDCL-RDJZCZTQSA-N 1 2 272.392 3.390 20 30 CGEDLO COCC[C@@H]1CCCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595442411 347304345 /nfs/dbraw/zinc/30/43/45/347304345.db2.gz QYLAXKUZWJWDCL-RDJZCZTQSA-N 1 2 272.392 3.390 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000595529534 347316178 /nfs/dbraw/zinc/31/61/78/347316178.db2.gz JPTMCLLKDQTIDB-NSHDSACASA-N 1 2 272.270 3.209 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597231384 347558880 /nfs/dbraw/zinc/55/88/80/347558880.db2.gz MKJZMQHPFKYYFH-KRWDZBQOSA-N 1 2 281.359 3.001 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597231384 347558887 /nfs/dbraw/zinc/55/88/87/347558887.db2.gz MKJZMQHPFKYYFH-KRWDZBQOSA-N 1 2 281.359 3.001 20 30 CGEDLO N#CCC1C[NH+](Cc2cc(Cl)ccc2Cl)C1 ZINC000597193074 347548031 /nfs/dbraw/zinc/54/80/31/347548031.db2.gz CTOCFQZYWBQCBI-UHFFFAOYSA-N 1 2 255.148 3.339 20 30 CGEDLO N#CCC1C[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000597193891 347548898 /nfs/dbraw/zinc/54/88/98/347548898.db2.gz SATZBLKTQBCMGU-UHFFFAOYSA-N 1 2 254.255 3.051 20 30 CGEDLO N#CCCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599041431 347708902 /nfs/dbraw/zinc/70/89/02/347708902.db2.gz WEMSWGFOWRFPRC-UHFFFAOYSA-N 1 2 270.292 3.249 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600595957 347812401 /nfs/dbraw/zinc/81/24/01/347812401.db2.gz RSZNPIBKBZZPRS-JKSUJKDBSA-N 1 2 293.382 3.244 20 30 CGEDLO N#Cc1cccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c1 ZINC000600774827 347833154 /nfs/dbraw/zinc/83/31/54/347833154.db2.gz GFFRXNXJLUXIFA-INIZCTEOSA-N 1 2 279.343 3.211 20 30 CGEDLO CCCc1nc(C)c(C[NH2+]Cc2cccc(F)c2C#N)o1 ZINC000602026462 347934949 /nfs/dbraw/zinc/93/49/49/347934949.db2.gz WIXXEIZRBHVCFP-UHFFFAOYSA-N 1 2 287.338 3.236 20 30 CGEDLO Cc1ccc(C#N)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602087593 347935793 /nfs/dbraw/zinc/93/57/93/347935793.db2.gz YKDTURCISAWUPA-INIZCTEOSA-N 1 2 296.374 3.289 20 30 CGEDLO CC(C)C1(C[N@H+](CCC#N)Cc2ccccn2)CC1 ZINC000602464221 347961754 /nfs/dbraw/zinc/96/17/54/347961754.db2.gz DDSWTMKTTQKTCP-UHFFFAOYSA-N 1 2 257.381 3.233 20 30 CGEDLO CC(C)C1(C[N@@H+](CCC#N)Cc2ccccn2)CC1 ZINC000602464221 347961757 /nfs/dbraw/zinc/96/17/57/347961757.db2.gz DDSWTMKTTQKTCP-UHFFFAOYSA-N 1 2 257.381 3.233 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1CC1CCC1 ZINC000602466048 347963149 /nfs/dbraw/zinc/96/31/49/347963149.db2.gz VHWMOOVYJXKUNC-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1CC1CCC1 ZINC000602466048 347963151 /nfs/dbraw/zinc/96/31/51/347963151.db2.gz VHWMOOVYJXKUNC-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO C[N@H+](Cc1nccn1Cc1ccccc1)CC1(CC#N)CC1 ZINC000602785538 348028187 /nfs/dbraw/zinc/02/81/87/348028187.db2.gz VDLGGETUIOPCFY-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)CC1(CC#N)CC1 ZINC000602785538 348028189 /nfs/dbraw/zinc/02/81/89/348028189.db2.gz VDLGGETUIOPCFY-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(=O)OC ZINC000602733485 348020922 /nfs/dbraw/zinc/02/09/22/348020922.db2.gz IOGHXOQLGAOYSK-AGIUHOORSA-N 1 2 285.453 3.004 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc[nH+]cc1F ZINC000603400647 348080013 /nfs/dbraw/zinc/08/00/13/348080013.db2.gz UNRMIMIBOISOSQ-OAHLLOKOSA-N 1 2 267.307 3.004 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C2CCC2)no1)c1ccc(C#N)cc1 ZINC000602796503 348030270 /nfs/dbraw/zinc/03/02/70/348030270.db2.gz BDBYHCHWMLYUOK-LLVKDONJSA-N 1 2 282.347 3.060 20 30 CGEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602863120 348038340 /nfs/dbraw/zinc/03/83/40/348038340.db2.gz NYGJJYYDOSUBRO-OLZOCXBDSA-N 1 2 287.407 3.030 20 30 CGEDLO CCOc1cccc(Cl)c1C[NH2+][C@@H](C)CC#N ZINC000602870514 348039305 /nfs/dbraw/zinc/03/93/05/348039305.db2.gz MKXUGEBZGWTDQD-JTQLQIEISA-N 1 2 252.745 3.130 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2F)nc1 ZINC000602871506 348039378 /nfs/dbraw/zinc/03/93/78/348039378.db2.gz SDHLSBWHZPTDBG-ZDUSSCGKSA-N 1 2 299.349 3.191 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602974019 348047692 /nfs/dbraw/zinc/04/76/92/348047692.db2.gz IVSVHBLMEPQBFG-PBHICJAKSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602974019 348047693 /nfs/dbraw/zinc/04/76/93/348047693.db2.gz IVSVHBLMEPQBFG-PBHICJAKSA-N 1 2 281.359 3.466 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602980271 348050014 /nfs/dbraw/zinc/05/00/14/348050014.db2.gz OBSGWEIDMCSBRA-IAQYHMDHSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602980271 348050018 /nfs/dbraw/zinc/05/00/18/348050018.db2.gz OBSGWEIDMCSBRA-IAQYHMDHSA-N 1 2 278.783 3.473 20 30 CGEDLO C[N@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602980739 348051536 /nfs/dbraw/zinc/05/15/36/348051536.db2.gz UZIDNACADOROKX-GWCFXTLKSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602980739 348051539 /nfs/dbraw/zinc/05/15/39/348051539.db2.gz UZIDNACADOROKX-GWCFXTLKSA-N 1 2 283.297 3.224 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602982424 348052271 /nfs/dbraw/zinc/05/22/71/348052271.db2.gz SBXIHPWJFBLNNE-HOCLYGCPSA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cc(C)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c(C)n1 ZINC000602982424 348052273 /nfs/dbraw/zinc/05/22/73/348052273.db2.gz SBXIHPWJFBLNNE-HOCLYGCPSA-N 1 2 257.381 3.131 20 30 CGEDLO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)C(C)(C)CO1 ZINC000609671952 348350742 /nfs/dbraw/zinc/35/07/42/348350742.db2.gz RPTDPPDGDWGQTP-UHFFFAOYSA-N 1 2 297.402 3.200 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)C(C)(C)CO1 ZINC000609671952 348350744 /nfs/dbraw/zinc/35/07/44/348350744.db2.gz RPTDPPDGDWGQTP-UHFFFAOYSA-N 1 2 297.402 3.200 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000609030947 348334898 /nfs/dbraw/zinc/33/48/98/348334898.db2.gz VGHYWHVFAVPRHQ-AWEZNQCLSA-N 1 2 293.370 3.331 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000609486602 348345047 /nfs/dbraw/zinc/34/50/47/348345047.db2.gz NNYWHAUIWIOKAJ-WMLDXEAASA-N 1 2 289.398 3.052 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000612161476 348497972 /nfs/dbraw/zinc/49/79/72/348497972.db2.gz DULSIRZJNCKKME-OAHLLOKOSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000612161476 348497974 /nfs/dbraw/zinc/49/79/74/348497974.db2.gz DULSIRZJNCKKME-OAHLLOKOSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000612405605 348516629 /nfs/dbraw/zinc/51/66/29/348516629.db2.gz BEWHUVMLQTZDCK-KRWDZBQOSA-N 1 2 298.365 3.341 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000612405605 348516631 /nfs/dbraw/zinc/51/66/31/348516631.db2.gz BEWHUVMLQTZDCK-KRWDZBQOSA-N 1 2 298.365 3.341 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000612405919 348516683 /nfs/dbraw/zinc/51/66/83/348516683.db2.gz FBHUJAYRMMWTHN-HNNXBMFYSA-N 1 2 286.404 3.264 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000612405919 348516687 /nfs/dbraw/zinc/51/66/87/348516687.db2.gz FBHUJAYRMMWTHN-HNNXBMFYSA-N 1 2 286.404 3.264 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612582029 348529550 /nfs/dbraw/zinc/52/95/50/348529550.db2.gz LXJHPHQIDCJNTC-OAHLLOKOSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612582029 348529554 /nfs/dbraw/zinc/52/95/54/348529554.db2.gz LXJHPHQIDCJNTC-OAHLLOKOSA-N 1 2 273.336 3.029 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000612588154 348531773 /nfs/dbraw/zinc/53/17/73/348531773.db2.gz QOQKBNFCGCYSSL-UHFFFAOYSA-N 1 2 274.261 3.484 20 30 CGEDLO Cc1cccc(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000613443288 348604195 /nfs/dbraw/zinc/60/41/95/348604195.db2.gz WSXSTKJGROISLG-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000618577863 349110602 /nfs/dbraw/zinc/11/06/02/349110602.db2.gz YOLAWVCNJQWINX-GXTWGEPZSA-N 1 2 264.319 3.450 20 30 CGEDLO C=C[C@@H]([NH2+][C@H](CCC(C)C)C(C)(C)C)C(=O)OC ZINC000619734736 349280235 /nfs/dbraw/zinc/28/02/35/349280235.db2.gz OYOXZDVBTRPWSO-CHWSQXEVSA-N 1 2 255.402 3.155 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000626548537 350319016 /nfs/dbraw/zinc/31/90/16/350319016.db2.gz OMGMLLZQZFVVDS-UHFFFAOYSA-N 1 2 272.352 3.058 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ccsc1Br ZINC000628251708 350465643 /nfs/dbraw/zinc/46/56/43/350465643.db2.gz SGFPSNXDWHDZQK-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ccsc1Br ZINC000628251708 350465647 /nfs/dbraw/zinc/46/56/47/350465647.db2.gz SGFPSNXDWHDZQK-UHFFFAOYSA-N 1 2 290.226 3.145 20 30 CGEDLO C[C@]12CC[N@H+](Cc3cccc(F)c3C#N)C[C@H]1C2(F)F ZINC000336516143 213394004 /nfs/dbraw/zinc/39/40/04/213394004.db2.gz HLYGTQUPCOTVTM-KGLIPLIRSA-N 1 2 280.293 3.174 20 30 CGEDLO C[C@]12CC[N@@H+](Cc3cccc(F)c3C#N)C[C@H]1C2(F)F ZINC000336516143 213394006 /nfs/dbraw/zinc/39/40/06/213394006.db2.gz HLYGTQUPCOTVTM-KGLIPLIRSA-N 1 2 280.293 3.174 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635866972 351698859 /nfs/dbraw/zinc/69/88/59/351698859.db2.gz MAVCEFUSKHXQKL-GJZGRUSLSA-N 1 2 275.396 3.037 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635898005 351701295 /nfs/dbraw/zinc/70/12/95/351701295.db2.gz WLRGALIRPKAKIP-ZIAGYGMSSA-N 1 2 281.359 3.271 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635898005 351701296 /nfs/dbraw/zinc/70/12/96/351701296.db2.gz WLRGALIRPKAKIP-ZIAGYGMSSA-N 1 2 281.359 3.271 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000636235798 351731237 /nfs/dbraw/zinc/73/12/37/351731237.db2.gz NGOUCHRZHDVVTO-XHSDSOJGSA-N 1 2 287.407 3.180 20 30 CGEDLO CCc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000123393942 187088659 /nfs/dbraw/zinc/08/86/59/187088659.db2.gz RKKXFWBDPFPEAE-UHFFFAOYSA-N 1 2 276.343 3.380 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000364346611 234037661 /nfs/dbraw/zinc/03/76/61/234037661.db2.gz ZPDMICPZFZWWGN-UHFFFAOYSA-N 1 2 290.794 3.214 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000364346611 234037665 /nfs/dbraw/zinc/03/76/65/234037665.db2.gz ZPDMICPZFZWWGN-UHFFFAOYSA-N 1 2 290.794 3.214 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156914063 188287520 /nfs/dbraw/zinc/28/75/20/188287520.db2.gz GZUVUJHDNYVDTO-CYBMUJFWSA-N 1 2 288.391 3.376 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000156914063 188287521 /nfs/dbraw/zinc/28/75/21/188287521.db2.gz GZUVUJHDNYVDTO-CYBMUJFWSA-N 1 2 288.391 3.376 20 30 CGEDLO CCOc1ccc([NH2+]CC(C)(C)CCC#N)cc1CO ZINC000157538096 188324046 /nfs/dbraw/zinc/32/40/46/188324046.db2.gz VXYAIHBBPOSWQM-UHFFFAOYSA-N 1 2 276.380 3.319 20 30 CGEDLO Cc1cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)cc1[N+](=O)[O-] ZINC000413311240 235267576 /nfs/dbraw/zinc/26/75/76/235267576.db2.gz DRQFSEUTAQGKGY-GWCFXTLKSA-N 1 2 297.318 3.089 20 30 CGEDLO Cc1cc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425240745 236222460 /nfs/dbraw/zinc/22/24/60/236222460.db2.gz ZFQBMVBILXITCC-HNNXBMFYSA-N 1 2 295.361 3.470 20 30 CGEDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439458632 238257997 /nfs/dbraw/zinc/25/79/97/238257997.db2.gz TWIBAWBXZBCLLL-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439458632 238258001 /nfs/dbraw/zinc/25/80/01/238258001.db2.gz TWIBAWBXZBCLLL-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000119425997 370675808 /nfs/dbraw/zinc/67/58/08/370675808.db2.gz ZQTSVKBUXRUVGR-LBPRGKRZSA-N 1 2 280.331 3.144 20 30 CGEDLO CC(C)(C)c1nc(NCc2cc(C#N)ccc2F)cc[nH+]1 ZINC000301573595 201075978 /nfs/dbraw/zinc/07/59/78/201075978.db2.gz LQALKSSGORAMMJ-UHFFFAOYSA-N 1 2 284.338 3.397 20 30 CGEDLO CC(=O)c1ccc(C#N)cc1NCc1[nH+]ccn1CC(C)C ZINC000302052982 201323512 /nfs/dbraw/zinc/32/35/12/201323512.db2.gz OZYSENIUBJSXJT-UHFFFAOYSA-N 1 2 296.374 3.225 20 30 CGEDLO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000119979355 370727667 /nfs/dbraw/zinc/72/76/67/370727667.db2.gz SQUDSODKHHMSNM-TZMCWYRMSA-N 1 2 278.421 3.450 20 30 CGEDLO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000119979355 370727671 /nfs/dbraw/zinc/72/76/71/370727671.db2.gz SQUDSODKHHMSNM-TZMCWYRMSA-N 1 2 278.421 3.450 20 30 CGEDLO N#CCCCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120254946 370753647 /nfs/dbraw/zinc/75/36/47/370753647.db2.gz QCMKATMBIPYFQL-HNNXBMFYSA-N 1 2 295.390 3.302 20 30 CGEDLO N#CCCCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120254946 370753652 /nfs/dbraw/zinc/75/36/52/370753652.db2.gz QCMKATMBIPYFQL-HNNXBMFYSA-N 1 2 295.390 3.302 20 30 CGEDLO N#CCCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120254946 370753660 /nfs/dbraw/zinc/75/36/60/370753660.db2.gz QCMKATMBIPYFQL-HNNXBMFYSA-N 1 2 295.390 3.302 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)s1 ZINC000120758069 370797691 /nfs/dbraw/zinc/79/76/91/370797691.db2.gz UXBRZQQHWMQHPX-CYBMUJFWSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)s1 ZINC000120758069 370797695 /nfs/dbraw/zinc/79/76/95/370797695.db2.gz UXBRZQQHWMQHPX-CYBMUJFWSA-N 1 2 290.413 3.255 20 30 CGEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000336159091 291347103 /nfs/dbraw/zinc/34/71/03/291347103.db2.gz CKEBROANJGCSNB-OAHLLOKOSA-N 1 2 291.782 3.492 20 30 CGEDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000336159091 291347104 /nfs/dbraw/zinc/34/71/04/291347104.db2.gz CKEBROANJGCSNB-OAHLLOKOSA-N 1 2 291.782 3.492 20 30 CGEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000121440839 370860924 /nfs/dbraw/zinc/86/09/24/370860924.db2.gz YEDWOTCEBHSPTF-UHFFFAOYSA-N 1 2 271.364 3.478 20 30 CGEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000121440839 370860929 /nfs/dbraw/zinc/86/09/29/370860929.db2.gz YEDWOTCEBHSPTF-UHFFFAOYSA-N 1 2 271.364 3.478 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000121528005 370869910 /nfs/dbraw/zinc/86/99/10/370869910.db2.gz CDYYAAOJKQSXCO-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000121528005 370869917 /nfs/dbraw/zinc/86/99/17/370869917.db2.gz CDYYAAOJKQSXCO-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000121636371 370882155 /nfs/dbraw/zinc/88/21/55/370882155.db2.gz XLKCQSWUYSVFMY-CYBMUJFWSA-N 1 2 290.432 3.022 20 30 CGEDLO C=CC[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000121636371 370882164 /nfs/dbraw/zinc/88/21/64/370882164.db2.gz XLKCQSWUYSVFMY-CYBMUJFWSA-N 1 2 290.432 3.022 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000127329019 370951893 /nfs/dbraw/zinc/95/18/93/370951893.db2.gz CNNHSKDJBGDMNE-UHFFFAOYSA-N 1 2 276.163 3.199 20 30 CGEDLO CN(C)c1ccc(C[N@H+](CC#N)C2CCCC2)cc1F ZINC000129182384 370977649 /nfs/dbraw/zinc/97/76/49/370977649.db2.gz CKGAFFVNBBVSPZ-UHFFFAOYSA-N 1 2 275.371 3.160 20 30 CGEDLO CN(C)c1ccc(C[N@@H+](CC#N)C2CCCC2)cc1F ZINC000129182384 370977651 /nfs/dbraw/zinc/97/76/51/370977651.db2.gz CKGAFFVNBBVSPZ-UHFFFAOYSA-N 1 2 275.371 3.160 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055471981 369517439 /nfs/dbraw/zinc/51/74/39/369517439.db2.gz ICOSVRQOMPRLBJ-HNNXBMFYSA-N 1 2 295.386 3.025 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000058575363 369571786 /nfs/dbraw/zinc/57/17/86/369571786.db2.gz DJPOFEVPCJLESC-JTQLQIEISA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000058575363 369571789 /nfs/dbraw/zinc/57/17/89/369571789.db2.gz DJPOFEVPCJLESC-JTQLQIEISA-N 1 2 256.271 3.439 20 30 CGEDLO CCCCn1c(SCCC#N)nnc1[C@H](CC)[NH+](C)C ZINC000066317155 369692370 /nfs/dbraw/zinc/69/23/70/369692370.db2.gz NOFXQYXNJKTPJX-LBPRGKRZSA-N 1 2 295.456 3.097 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091895210 370077716 /nfs/dbraw/zinc/07/77/16/370077716.db2.gz JWNDTEDEBQGJQB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000091895210 370077719 /nfs/dbraw/zinc/07/77/19/370077719.db2.gz JWNDTEDEBQGJQB-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)Cc1cc(C)on1 ZINC000092254318 370094551 /nfs/dbraw/zinc/09/45/51/370094551.db2.gz FDSVGKRBKXSENG-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1cc(C)on1 ZINC000092254318 370094558 /nfs/dbraw/zinc/09/45/58/370094558.db2.gz FDSVGKRBKXSENG-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000093091394 370108563 /nfs/dbraw/zinc/10/85/63/370108563.db2.gz OBTANKNTPRCZJR-UHFFFAOYSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091394 370108566 /nfs/dbraw/zinc/10/85/66/370108566.db2.gz OBTANKNTPRCZJR-UHFFFAOYSA-N 1 2 270.376 3.377 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093090650 370108930 /nfs/dbraw/zinc/10/89/30/370108930.db2.gz MHFYUIONOKTQLY-AWEZNQCLSA-N 1 2 271.364 3.103 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093090650 370108935 /nfs/dbraw/zinc/10/89/35/370108935.db2.gz MHFYUIONOKTQLY-AWEZNQCLSA-N 1 2 271.364 3.103 20 30 CGEDLO Cn1c2ccc(NC(=O)C3(C#N)CCC3)cc2[nH+]c1C1CC1 ZINC000089868686 370048947 /nfs/dbraw/zinc/04/89/47/370048947.db2.gz MYFAFPDWMJWDMN-UHFFFAOYSA-N 1 2 294.358 3.083 20 30 CGEDLO Cc1cc(C)c(NC(=O)CCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000097213983 370234366 /nfs/dbraw/zinc/23/43/66/370234366.db2.gz HVSDDNKAWPSCOR-UHFFFAOYSA-N 1 2 293.370 3.450 20 30 CGEDLO C[N@@H+](CC#N)CC/C=C/c1ccc(Br)cc1 ZINC000117337582 370587222 /nfs/dbraw/zinc/58/72/22/370587222.db2.gz UMTUGEFFJAHSFF-DUXPYHPUSA-N 1 2 279.181 3.308 20 30 CGEDLO C[N@H+](CC#N)CC/C=C/c1ccc(Br)cc1 ZINC000117337582 370587226 /nfs/dbraw/zinc/58/72/26/370587226.db2.gz UMTUGEFFJAHSFF-DUXPYHPUSA-N 1 2 279.181 3.308 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000130450767 371034647 /nfs/dbraw/zinc/03/46/47/371034647.db2.gz YWNYFSVGSMJDEC-CQSZACIVSA-N 1 2 257.362 3.278 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1ccc(Cl)cc1Cl ZINC000133212689 371235485 /nfs/dbraw/zinc/23/54/85/371235485.db2.gz DVXFVCGSUZGABX-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO C[N@H+](CCC#N)CCOc1ccc(Cl)cc1Cl ZINC000133212689 371235490 /nfs/dbraw/zinc/23/54/90/371235490.db2.gz DVXFVCGSUZGABX-UHFFFAOYSA-N 1 2 273.163 3.218 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c(F)c1 ZINC000133914412 371288344 /nfs/dbraw/zinc/28/83/44/371288344.db2.gz UEYFYZOQBUENLK-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c(F)c1 ZINC000133914412 371288348 /nfs/dbraw/zinc/28/83/48/371288348.db2.gz UEYFYZOQBUENLK-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287204847 371620357 /nfs/dbraw/zinc/62/03/57/371620357.db2.gz DSOXGBWJTFCZPD-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287204847 371620361 /nfs/dbraw/zinc/62/03/61/371620361.db2.gz DSOXGBWJTFCZPD-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)Cc2ccccc2O1 ZINC000429166558 372320024 /nfs/dbraw/zinc/32/00/24/372320024.db2.gz VSARKACUHQSOMU-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)Cc2ccccc2O1 ZINC000429166558 372320033 /nfs/dbraw/zinc/32/00/33/372320033.db2.gz VSARKACUHQSOMU-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO CC(C)(C)OC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433020927 372577680 /nfs/dbraw/zinc/57/76/80/372577680.db2.gz PBMWNYWAEHJGEL-OAHLLOKOSA-N 1 2 288.391 3.353 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434505128 372684930 /nfs/dbraw/zinc/68/49/30/372684930.db2.gz XVONAEABIFRQAG-HNNXBMFYSA-N 1 2 285.366 3.391 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCc3ncsc3C2)c1 ZINC000445854138 373317515 /nfs/dbraw/zinc/31/75/15/373317515.db2.gz QDCWUALQYINHDQ-UHFFFAOYSA-N 1 2 288.803 3.206 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCc3ncsc3C2)c1 ZINC000445854138 373317522 /nfs/dbraw/zinc/31/75/22/373317522.db2.gz QDCWUALQYINHDQ-UHFFFAOYSA-N 1 2 288.803 3.206 20 30 CGEDLO N#C[C@@H]1CCC[C@H](Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000446754957 373357454 /nfs/dbraw/zinc/35/74/54/373357454.db2.gz YBAJOSFFNYUAIG-OCCSQVGLSA-N 1 2 255.365 3.455 20 30 CGEDLO CC(C)(C)[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000447829254 373501298 /nfs/dbraw/zinc/50/12/98/373501298.db2.gz GFXGBRCYJMFHDK-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000447829254 373501302 /nfs/dbraw/zinc/50/13/02/373501302.db2.gz GFXGBRCYJMFHDK-MRXNPFEDSA-N 1 2 291.822 3.438 20 30 CGEDLO C=C(Cl)C[N@@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000299604535 373579706 /nfs/dbraw/zinc/57/97/06/373579706.db2.gz ISOMBMUCBIUILK-UHFFFAOYSA-N 1 2 267.756 3.118 20 30 CGEDLO C=C(Cl)C[N@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000299604535 373579711 /nfs/dbraw/zinc/57/97/11/373579711.db2.gz ISOMBMUCBIUILK-UHFFFAOYSA-N 1 2 267.756 3.118 20 30 CGEDLO C=CCO[C@@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000302155976 373823170 /nfs/dbraw/zinc/82/31/70/373823170.db2.gz MUQPNEPUQKUUSS-OAHLLOKOSA-N 1 2 284.359 3.025 20 30 CGEDLO Cc1cc(NC[C@H](C)C#N)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302142710 373823482 /nfs/dbraw/zinc/82/34/82/373823482.db2.gz FWWNFDWIQYAQBH-SECBINFHSA-N 1 2 270.292 3.023 20 30 CGEDLO C=CCC[C@H]([NH2+]C/C=C/c1ccccc1)C(=O)OCC ZINC000449656938 373838135 /nfs/dbraw/zinc/83/81/35/373838135.db2.gz NCBHYXLSJZQWIA-YHVDPYDOSA-N 1 2 273.376 3.187 20 30 CGEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC2(C#N)CCC2)s1 ZINC000450388241 374097508 /nfs/dbraw/zinc/09/75/08/374097508.db2.gz IKCHECIQKZLDEN-LLVKDONJSA-N 1 2 263.410 3.447 20 30 CGEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC2(C#N)CCC2)s1 ZINC000450388241 374097513 /nfs/dbraw/zinc/09/75/13/374097513.db2.gz IKCHECIQKZLDEN-LLVKDONJSA-N 1 2 263.410 3.447 20 30 CGEDLO CCOc1ccc2c(c1)CC[N@@H+](CC1(C#N)CCC1)C2 ZINC000450584878 374162974 /nfs/dbraw/zinc/16/29/74/374162974.db2.gz MCEWXEJVMPFWGT-UHFFFAOYSA-N 1 2 270.376 3.137 20 30 CGEDLO CCOc1ccc2c(c1)CC[N@H+](CC1(C#N)CCC1)C2 ZINC000450584878 374162987 /nfs/dbraw/zinc/16/29/87/374162987.db2.gz MCEWXEJVMPFWGT-UHFFFAOYSA-N 1 2 270.376 3.137 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000450607565 374164907 /nfs/dbraw/zinc/16/49/07/374164907.db2.gz AQKSBZJFYJERIA-LBPRGKRZSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000450607565 374164916 /nfs/dbraw/zinc/16/49/16/374164916.db2.gz AQKSBZJFYJERIA-LBPRGKRZSA-N 1 2 256.349 3.013 20 30 CGEDLO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CC1(C#N)CCC1 ZINC000450643250 374167783 /nfs/dbraw/zinc/16/77/83/374167783.db2.gz QUPLZSGGGJBZFE-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CC1(C#N)CCC1 ZINC000450643250 374167789 /nfs/dbraw/zinc/16/77/89/374167789.db2.gz QUPLZSGGGJBZFE-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1C[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC1=O ZINC000328946435 374396646 /nfs/dbraw/zinc/39/66/46/374396646.db2.gz VKHHRUCXVCGMEE-OLZOCXBDSA-N 1 2 297.358 3.466 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)c1coc(C2CCCCC2)n1 ZINC000328757194 374381031 /nfs/dbraw/zinc/38/10/31/374381031.db2.gz UVJMUTQDBFMAKT-UHFFFAOYSA-N 1 2 288.351 3.259 20 30 CGEDLO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1nccn1C ZINC000183370802 374408144 /nfs/dbraw/zinc/40/81/44/374408144.db2.gz XNTPTFYJHFKVHL-UKRRQHHQSA-N 1 2 268.364 3.116 20 30 CGEDLO Cn1c2ccccc2[nH+]c1CCSc1ccc(C#N)cn1 ZINC000345393194 217536161 /nfs/dbraw/zinc/53/61/61/217536161.db2.gz DPBGGAHBDCKJPU-UHFFFAOYSA-N 1 2 294.383 3.175 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000483713808 375183614 /nfs/dbraw/zinc/18/36/14/375183614.db2.gz SRQDWYZZSWRBSJ-LJQANCHMSA-N 1 2 283.415 3.319 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000483713808 375183620 /nfs/dbraw/zinc/18/36/20/375183620.db2.gz SRQDWYZZSWRBSJ-LJQANCHMSA-N 1 2 283.415 3.319 20 30 CGEDLO C=C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493033109 375460405 /nfs/dbraw/zinc/46/04/05/375460405.db2.gz LYAXFDBKBHRLIC-UHFFFAOYSA-N 1 2 266.728 3.400 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2cccs2)o1 ZINC000191098111 375576241 /nfs/dbraw/zinc/57/62/41/375576241.db2.gz OAZNZALCUKOPQC-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2cccs2)o1 ZINC000191098111 375576246 /nfs/dbraw/zinc/57/62/46/375576246.db2.gz OAZNZALCUKOPQC-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336010378 375615228 /nfs/dbraw/zinc/61/52/28/375615228.db2.gz UECJUDPCIZDAIV-CQSZACIVSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000336010378 375615235 /nfs/dbraw/zinc/61/52/35/375615235.db2.gz UECJUDPCIZDAIV-CQSZACIVSA-N 1 2 286.404 3.080 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1C#N ZINC000336095909 375684083 /nfs/dbraw/zinc/68/40/83/375684083.db2.gz FAYGWAHEQFMUAV-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1C#N ZINC000336095909 375684087 /nfs/dbraw/zinc/68/40/87/375684087.db2.gz FAYGWAHEQFMUAV-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(C)C1=O ZINC000516415638 375820606 /nfs/dbraw/zinc/82/06/06/375820606.db2.gz JPNBJLANEUJHPP-LBPRGKRZSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(C)C1=O ZINC000516415638 375820609 /nfs/dbraw/zinc/82/06/09/375820609.db2.gz JPNBJLANEUJHPP-LBPRGKRZSA-N 1 2 298.839 3.010 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccnc1OC ZINC000193319988 375858293 /nfs/dbraw/zinc/85/82/93/375858293.db2.gz WISFENUQAOTVFF-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccnc1OC ZINC000193319988 375858301 /nfs/dbraw/zinc/85/83/01/375858301.db2.gz WISFENUQAOTVFF-UHFFFAOYSA-N 1 2 293.370 3.150 20 30 CGEDLO N#CC[N@H+](Cc1ccc2cc[nH]c2c1)C1CCCC1 ZINC000529529448 375927825 /nfs/dbraw/zinc/92/78/25/375927825.db2.gz BUINXPARYGJIIQ-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO N#CC[N@@H+](Cc1ccc2cc[nH]c2c1)C1CCCC1 ZINC000529529448 375927833 /nfs/dbraw/zinc/92/78/33/375927833.db2.gz BUINXPARYGJIIQ-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000537318128 376162201 /nfs/dbraw/zinc/16/22/01/376162201.db2.gz KKDHNLHDIXQVLH-DZGCQCFKSA-N 1 2 261.365 3.235 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000562384437 377306201 /nfs/dbraw/zinc/30/62/01/377306201.db2.gz NYOVAIHDURJJOI-UHFFFAOYSA-N 1 2 275.402 3.265 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000565478290 377487483 /nfs/dbraw/zinc/48/74/83/377487483.db2.gz WABYVXQLDDINRP-SECBINFHSA-N 1 2 254.786 3.452 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2sc(Cl)cc2C1 ZINC000565478290 377487485 /nfs/dbraw/zinc/48/74/85/377487485.db2.gz WABYVXQLDDINRP-SECBINFHSA-N 1 2 254.786 3.452 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000568103602 377513188 /nfs/dbraw/zinc/51/31/88/377513188.db2.gz CLDYWBYGFNCBMN-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000568103602 377513194 /nfs/dbraw/zinc/51/31/94/377513194.db2.gz CLDYWBYGFNCBMN-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000249881320 377538133 /nfs/dbraw/zinc/53/81/33/377538133.db2.gz NQHLQAIBXJYJQC-ZIAGYGMSSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N ZINC000249881320 377538140 /nfs/dbraw/zinc/53/81/40/377538140.db2.gz NQHLQAIBXJYJQC-ZIAGYGMSSA-N 1 2 287.407 3.058 20 30 CGEDLO Cc1cc(N2CCC(CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000569963682 377531538 /nfs/dbraw/zinc/53/15/38/377531538.db2.gz HXYMTZMYWSKJOP-UHFFFAOYSA-N 1 2 272.396 3.429 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C(C)=O)no1 ZINC000572344554 377547492 /nfs/dbraw/zinc/54/74/92/377547492.db2.gz YGJOYDODWOOHPD-UHFFFAOYSA-N 1 2 284.359 3.108 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(C)=O)no1 ZINC000572344554 377547499 /nfs/dbraw/zinc/54/74/99/377547499.db2.gz YGJOYDODWOOHPD-UHFFFAOYSA-N 1 2 284.359 3.108 20 30 CGEDLO CCOc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2F)n1 ZINC000342764828 377776773 /nfs/dbraw/zinc/77/67/73/377776773.db2.gz KBLRHGKPUYYQOA-UHFFFAOYSA-N 1 2 299.349 3.123 20 30 CGEDLO CCOc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)n1 ZINC000342764828 377776779 /nfs/dbraw/zinc/77/67/79/377776779.db2.gz KBLRHGKPUYYQOA-UHFFFAOYSA-N 1 2 299.349 3.123 20 30 CGEDLO C[N@H+](Cc1cc(Br)cs1)CC1(C#N)CC1 ZINC000258987590 377801899 /nfs/dbraw/zinc/80/18/99/377801899.db2.gz VFSBBLDICVHOSJ-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO C[N@@H+](Cc1cc(Br)cs1)CC1(C#N)CC1 ZINC000258987590 377801906 /nfs/dbraw/zinc/80/19/06/377801906.db2.gz VFSBBLDICVHOSJ-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO COc1ccc(C#N)cc1NCc1cn2cccc(C)c2[nH+]1 ZINC000342828185 377824993 /nfs/dbraw/zinc/82/49/93/377824993.db2.gz ZPOJDUPSBJAEFI-UHFFFAOYSA-N 1 2 292.342 3.135 20 30 CGEDLO C[N@H+](Cc1ccccc1C(F)(F)F)CC1(C#N)CC1 ZINC000343240574 377937118 /nfs/dbraw/zinc/93/71/18/377937118.db2.gz UZFCGCRYJGCBOI-UHFFFAOYSA-N 1 2 268.282 3.441 20 30 CGEDLO C[N@@H+](Cc1ccccc1C(F)(F)F)CC1(C#N)CC1 ZINC000343240574 377937122 /nfs/dbraw/zinc/93/71/22/377937122.db2.gz UZFCGCRYJGCBOI-UHFFFAOYSA-N 1 2 268.282 3.441 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000264441374 377985530 /nfs/dbraw/zinc/98/55/30/377985530.db2.gz FUFAGNDEUFCFOA-NSHDSACASA-N 1 2 296.773 3.458 20 30 CGEDLO C=C(C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000343504127 377998427 /nfs/dbraw/zinc/99/84/27/377998427.db2.gz CBCBEFKUPPRZPL-KRWDZBQOSA-N 1 2 290.370 3.197 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000267910339 378046778 /nfs/dbraw/zinc/04/67/78/378046778.db2.gz DGYAMRPWBXFTSX-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000267910339 378046781 /nfs/dbraw/zinc/04/67/81/378046781.db2.gz DGYAMRPWBXFTSX-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343975134 378148702 /nfs/dbraw/zinc/14/87/02/378148702.db2.gz RGAIYQMPTZTKTH-UHFFFAOYSA-N 1 2 279.767 3.285 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC2(CCC2)O1 ZINC000578886979 378110525 /nfs/dbraw/zinc/11/05/25/378110525.db2.gz CYICDVUKPBLHSY-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC2(CCC2)O1 ZINC000578886979 378110532 /nfs/dbraw/zinc/11/05/32/378110532.db2.gz CYICDVUKPBLHSY-AWEZNQCLSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(C2CC2)o1 ZINC000582297542 378300708 /nfs/dbraw/zinc/30/07/08/378300708.db2.gz CYOSKQRFCZCUIF-LLVKDONJSA-N 1 2 282.347 3.012 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(C2CC2)o1 ZINC000582297542 378300715 /nfs/dbraw/zinc/30/07/15/378300715.db2.gz CYOSKQRFCZCUIF-LLVKDONJSA-N 1 2 282.347 3.012 20 30 CGEDLO N#CCCC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000584348719 378379129 /nfs/dbraw/zinc/37/91/29/378379129.db2.gz GMESTMFLYPLYKY-UHFFFAOYSA-N 1 2 296.374 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000271119174 378455480 /nfs/dbraw/zinc/45/54/80/378455480.db2.gz GXENRFGIRBVHLN-VIFPVBQESA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000271119174 378455484 /nfs/dbraw/zinc/45/54/84/378455484.db2.gz GXENRFGIRBVHLN-VIFPVBQESA-N 1 2 274.261 3.436 20 30 CGEDLO C=C1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000271159382 378466474 /nfs/dbraw/zinc/46/64/74/378466474.db2.gz JTQXSVZOLSVFAP-UHFFFAOYSA-N 1 2 261.756 3.140 20 30 CGEDLO C=CC1CCN(C(=O)Cn2c(CC)[nH+]c3ccccc32)CC1 ZINC000346825693 378693299 /nfs/dbraw/zinc/69/32/99/378693299.db2.gz NIHARIWGPSXZDY-UHFFFAOYSA-N 1 2 297.402 3.023 20 30 CGEDLO C=CCN(CCc1ccco1)C(=O)Nc1cc[nH+]cc1C ZINC000272475072 378646349 /nfs/dbraw/zinc/64/63/49/378646349.db2.gz SEEVNUSMTQBNEP-UHFFFAOYSA-N 1 2 285.347 3.246 20 30 CGEDLO N#Cc1ccc(SCc2c[nH+]c3ccccn23)cc1 ZINC000346616636 378647955 /nfs/dbraw/zinc/64/79/55/378647955.db2.gz BQXLZHXFOUAESN-UHFFFAOYSA-N 1 2 265.341 3.498 20 30 CGEDLO CC#CCCCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000274330909 378812132 /nfs/dbraw/zinc/81/21/32/378812132.db2.gz JBFILPXFFMFGHM-UHFFFAOYSA-N 1 2 299.349 3.276 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111899 379035978 /nfs/dbraw/zinc/03/59/78/379035978.db2.gz KQIINMAMSNSBQY-GJZGRUSLSA-N 1 2 274.412 3.467 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639111899 379035983 /nfs/dbraw/zinc/03/59/83/379035983.db2.gz KQIINMAMSNSBQY-GJZGRUSLSA-N 1 2 274.412 3.467 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C\c3ccncc3C#N)n21 ZINC000349116305 379161362 /nfs/dbraw/zinc/16/13/62/379161362.db2.gz ZHQNIGCIKLHKJX-WAYWQWQTSA-N 1 2 260.300 3.080 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000279390846 379424548 /nfs/dbraw/zinc/42/45/48/379424548.db2.gz YRUNPFQJBWYCKE-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000279390846 379424559 /nfs/dbraw/zinc/42/45/59/379424559.db2.gz YRUNPFQJBWYCKE-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO Cc1ccc(C2CCN(c3ncccc3C#N)CC2)c[nH+]1 ZINC000374681735 379473819 /nfs/dbraw/zinc/47/38/19/379473819.db2.gz WDDPPTQAJYQCPX-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO CC[N@@H+](C/C=C/c1ccc(F)cc1F)CCC#N ZINC000350008810 379475791 /nfs/dbraw/zinc/47/57/91/379475791.db2.gz IPRGHOGFVCHLOD-HWKANZROSA-N 1 2 250.292 3.214 20 30 CGEDLO CC[N@H+](C/C=C/c1ccc(F)cc1F)CCC#N ZINC000350008810 379475801 /nfs/dbraw/zinc/47/58/01/379475801.db2.gz IPRGHOGFVCHLOD-HWKANZROSA-N 1 2 250.292 3.214 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350013718 379477713 /nfs/dbraw/zinc/47/77/13/379477713.db2.gz PJVWAKWJZJOZOQ-UFFNRZRYSA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000350013718 379477720 /nfs/dbraw/zinc/47/77/20/379477720.db2.gz PJVWAKWJZJOZOQ-UFFNRZRYSA-N 1 2 250.292 3.212 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1F ZINC000376457768 379558288 /nfs/dbraw/zinc/55/82/88/379558288.db2.gz JZMSGYJEUVAUKO-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1F ZINC000376457768 379558293 /nfs/dbraw/zinc/55/82/93/379558293.db2.gz JZMSGYJEUVAUKO-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000640030353 379696625 /nfs/dbraw/zinc/69/66/25/379696625.db2.gz SWOXNLPOPYWDHA-JKSUJKDBSA-N 1 2 270.376 3.192 20 30 CGEDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000640030353 379696631 /nfs/dbraw/zinc/69/66/31/379696631.db2.gz SWOXNLPOPYWDHA-JKSUJKDBSA-N 1 2 270.376 3.192 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1nccn1-c1ccccc1 ZINC000377397379 379670561 /nfs/dbraw/zinc/67/05/61/379670561.db2.gz JQHRXBKGNYZXBU-CYBMUJFWSA-N 1 2 292.342 3.188 20 30 CGEDLO C=C(Br)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281068888 379815733 /nfs/dbraw/zinc/81/57/33/379815733.db2.gz SQKFDJXATLCJQQ-GFCCVEGCSA-N 1 2 298.228 3.339 20 30 CGEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC=C)Cc1ccc(Cl)s1 ZINC000268034889 190371650 /nfs/dbraw/zinc/37/16/50/190371650.db2.gz QAUJRMRJGUSPRO-LLVKDONJSA-N 1 2 298.839 3.080 20 30 CGEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC=C)Cc1ccc(Cl)s1 ZINC000268034889 190371651 /nfs/dbraw/zinc/37/16/51/190371651.db2.gz QAUJRMRJGUSPRO-LLVKDONJSA-N 1 2 298.839 3.080 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(COC)s1 ZINC000353003466 380071359 /nfs/dbraw/zinc/07/13/59/380071359.db2.gz SOCPNCLWKIXRHA-UHFFFAOYSA-N 1 2 292.404 3.113 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(COC)s1 ZINC000353003466 380071369 /nfs/dbraw/zinc/07/13/69/380071369.db2.gz SOCPNCLWKIXRHA-UHFFFAOYSA-N 1 2 292.404 3.113 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000268218576 190387419 /nfs/dbraw/zinc/38/74/19/190387419.db2.gz RWLUHOOYGGOUFO-UHFFFAOYSA-N 1 2 269.348 3.350 20 30 CGEDLO CC(C)(CC#N)C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000414159103 380193873 /nfs/dbraw/zinc/19/38/73/380193873.db2.gz AWVPBMUQYDBZCZ-AWEZNQCLSA-N 1 2 286.354 3.168 20 30 CGEDLO C=CCCC1(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000356417514 380799896 /nfs/dbraw/zinc/79/98/96/380799896.db2.gz JIXCBNCUNUHROF-GJZGRUSLSA-N 1 2 287.407 3.039 20 30 CGEDLO C=C(Br)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000359867188 381379247 /nfs/dbraw/zinc/37/92/47/381379247.db2.gz GYPYEXXNGNWRDX-GXFFZTMASA-N 1 2 281.197 3.373 20 30 CGEDLO C=C(Br)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000359867188 381379256 /nfs/dbraw/zinc/37/92/56/381379256.db2.gz GYPYEXXNGNWRDX-GXFFZTMASA-N 1 2 281.197 3.373 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cncc(C(F)(F)F)c1)C1CC1 ZINC000361328737 381698231 /nfs/dbraw/zinc/69/82/31/381698231.db2.gz QDDAMZOMVLNILC-SNVBAGLBSA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cncc(C(F)(F)F)c1)C1CC1 ZINC000361328737 381698240 /nfs/dbraw/zinc/69/82/40/381698240.db2.gz QDDAMZOMVLNILC-SNVBAGLBSA-N 1 2 283.297 3.224 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000362172224 381897159 /nfs/dbraw/zinc/89/71/59/381897159.db2.gz AZXLEOGTDRQGMH-INIZCTEOSA-N 1 2 295.471 3.141 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000362172224 381897163 /nfs/dbraw/zinc/89/71/63/381897163.db2.gz AZXLEOGTDRQGMH-INIZCTEOSA-N 1 2 295.471 3.141 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N(C(C)C)C(C)C ZINC000362188284 381904777 /nfs/dbraw/zinc/90/47/77/381904777.db2.gz SFBUXEFZPNZDLQ-UHFFFAOYSA-N 1 2 295.471 3.284 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N(C(C)C)C(C)C ZINC000362188284 381904785 /nfs/dbraw/zinc/90/47/85/381904785.db2.gz SFBUXEFZPNZDLQ-UHFFFAOYSA-N 1 2 295.471 3.284 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1nccc(OC)c1OC ZINC000190312398 130087551 /nfs/dbraw/zinc/08/75/51/130087551.db2.gz NGJHKSDEFUIDRK-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1nccc(OC)c1OC ZINC000190312398 130087553 /nfs/dbraw/zinc/08/75/53/130087553.db2.gz NGJHKSDEFUIDRK-UHFFFAOYSA-N 1 2 298.386 3.287 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000048755900 392012928 /nfs/dbraw/zinc/01/29/28/392012928.db2.gz FOTAMXIKUVIVHY-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000048755900 392012934 /nfs/dbraw/zinc/01/29/34/392012934.db2.gz FOTAMXIKUVIVHY-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncs1 ZINC000093100982 392234652 /nfs/dbraw/zinc/23/46/52/392234652.db2.gz XMLWYVHNROFWNV-UHFFFAOYSA-N 1 2 251.399 3.295 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncs1 ZINC000093100982 392234655 /nfs/dbraw/zinc/23/46/55/392234655.db2.gz XMLWYVHNROFWNV-UHFFFAOYSA-N 1 2 251.399 3.295 20 30 CGEDLO CC[N@H+](CCC#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000121180169 392411241 /nfs/dbraw/zinc/41/12/41/392411241.db2.gz FEHFMAXVYSBKEG-CQSZACIVSA-N 1 2 291.782 3.069 20 30 CGEDLO CC[N@@H+](CCC#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000121180169 392411245 /nfs/dbraw/zinc/41/12/45/392411245.db2.gz FEHFMAXVYSBKEG-CQSZACIVSA-N 1 2 291.782 3.069 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c1 ZINC000289660104 392428235 /nfs/dbraw/zinc/42/82/35/392428235.db2.gz CRXCCKRZCFMFQV-INIZCTEOSA-N 1 2 299.374 3.280 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c1 ZINC000289660104 392428246 /nfs/dbraw/zinc/42/82/46/392428246.db2.gz CRXCCKRZCFMFQV-INIZCTEOSA-N 1 2 299.374 3.280 20 30 CGEDLO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)cc3)[nH]c21 ZINC000153635813 392524057 /nfs/dbraw/zinc/52/40/57/392524057.db2.gz OEANDSZJHVJXIE-UHFFFAOYSA-N 1 2 276.343 3.033 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000173538031 392626964 /nfs/dbraw/zinc/62/69/64/392626964.db2.gz GQJAECQCHMWVJR-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000173538031 392626968 /nfs/dbraw/zinc/62/69/68/392626968.db2.gz GQJAECQCHMWVJR-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000335728516 392810323 /nfs/dbraw/zinc/81/03/23/392810323.db2.gz DACMTCCDDXHMPB-UKRRQHHQSA-N 1 2 266.348 3.367 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OC(F)F)c1)C1CC1 ZINC000338354651 392912568 /nfs/dbraw/zinc/91/25/68/392912568.db2.gz ZUOBJKGEJNQNJB-LLVKDONJSA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC1 ZINC000338354651 392912571 /nfs/dbraw/zinc/91/25/71/392912571.db2.gz ZUOBJKGEJNQNJB-LLVKDONJSA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000338354723 392912728 /nfs/dbraw/zinc/91/27/28/392912728.db2.gz VGJCUJDMBSXPHM-GFCCVEGCSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC1 ZINC000338354723 392912729 /nfs/dbraw/zinc/91/27/29/392912729.db2.gz VGJCUJDMBSXPHM-GFCCVEGCSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000338384675 392914640 /nfs/dbraw/zinc/91/46/40/392914640.db2.gz SWEGMOINASTCTK-ZDUSSCGKSA-N 1 2 281.359 3.466 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000338384675 392914645 /nfs/dbraw/zinc/91/46/45/392914645.db2.gz SWEGMOINASTCTK-ZDUSSCGKSA-N 1 2 281.359 3.466 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Cl)cc1 ZINC000491673065 542718227 /nfs/dbraw/zinc/71/82/27/542718227.db2.gz SXKXFOACPRAPOW-INIZCTEOSA-N 1 2 297.789 3.472 20 30 CGEDLO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC#N ZINC000411644920 392984923 /nfs/dbraw/zinc/98/49/23/392984923.db2.gz NRTTVQZLKLFKHJ-GFCCVEGCSA-N 1 2 256.271 3.492 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)Cc1nccn1Cc1ccccc1 ZINC000345733297 393066954 /nfs/dbraw/zinc/06/69/54/393066954.db2.gz VPIUHBINEARDGT-UHFFFAOYSA-N 1 2 296.418 3.303 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nccn1Cc1ccccc1 ZINC000345733297 393066963 /nfs/dbraw/zinc/06/69/63/393066963.db2.gz VPIUHBINEARDGT-UHFFFAOYSA-N 1 2 296.418 3.303 20 30 CGEDLO CC(C)Cc1ncc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000348705781 393129037 /nfs/dbraw/zinc/12/90/37/393129037.db2.gz GRSYKXVFJGFVDM-UHFFFAOYSA-N 1 2 281.400 3.169 20 30 CGEDLO CCc1nocc1C[N@@H+](CCC#N)CC(CC)CC ZINC000351393664 393188436 /nfs/dbraw/zinc/18/84/36/393188436.db2.gz DBFQQIROATUJGU-UHFFFAOYSA-N 1 2 263.385 3.389 20 30 CGEDLO CCc1nocc1C[N@H+](CCC#N)CC(CC)CC ZINC000351393664 393188445 /nfs/dbraw/zinc/18/84/45/393188445.db2.gz DBFQQIROATUJGU-UHFFFAOYSA-N 1 2 263.385 3.389 20 30 CGEDLO C=CCC(CC=C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000648710195 393216378 /nfs/dbraw/zinc/21/63/78/393216378.db2.gz SVLATRCRCULQFZ-UHFFFAOYSA-N 1 2 297.402 3.070 20 30 CGEDLO C[N@H+](Cc1nc(C#N)cs1)Cc1cccc2[nH]ccc21 ZINC000356408831 393437902 /nfs/dbraw/zinc/43/79/02/393437902.db2.gz SJIJEFTWGDCNMY-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@@H+](Cc1nc(C#N)cs1)Cc1cccc2[nH]ccc21 ZINC000356408831 393437906 /nfs/dbraw/zinc/43/79/06/393437906.db2.gz SJIJEFTWGDCNMY-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC#N ZINC000427002889 393451968 /nfs/dbraw/zinc/45/19/68/393451968.db2.gz RTBCSXDIBDNZSN-UHFFFAOYSA-N 1 2 280.293 3.292 20 30 CGEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC#N ZINC000427002889 393451975 /nfs/dbraw/zinc/45/19/75/393451975.db2.gz RTBCSXDIBDNZSN-UHFFFAOYSA-N 1 2 280.293 3.292 20 30 CGEDLO CN(C)c1ccc(CNc2cccc(Cl)c2C#N)c[nH+]1 ZINC000356469832 393455374 /nfs/dbraw/zinc/45/53/74/393455374.db2.gz FJSSOBFYKMHCTQ-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO C=CCN(Cc1cc(OC)cc[nH+]1)Cc1ccccc1F ZINC000359394706 393546583 /nfs/dbraw/zinc/54/65/83/393546583.db2.gz SXKOMKHAOBYYCS-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO COc1ccc2[nH+]c(C)nc(NCCCCC#N)c2c1 ZINC000301968999 397675611 /nfs/dbraw/zinc/67/56/11/397675611.db2.gz PYTSTTKBCTVJNA-UHFFFAOYSA-N 1 2 270.336 3.053 20 30 CGEDLO C=C(CC)C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000678623328 543546624 /nfs/dbraw/zinc/54/66/24/543546624.db2.gz OGMYYIMJVGLGQA-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO C=C(CC)C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000678623328 543546627 /nfs/dbraw/zinc/54/66/27/543546627.db2.gz OGMYYIMJVGLGQA-CYBMUJFWSA-N 1 2 261.369 3.440 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000678714812 543549879 /nfs/dbraw/zinc/54/98/79/543549879.db2.gz QUQKEGPWTAGAEB-GUTXKFCHSA-N 1 2 263.406 3.312 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000678714812 543549881 /nfs/dbraw/zinc/54/98/81/543549881.db2.gz QUQKEGPWTAGAEB-GUTXKFCHSA-N 1 2 263.406 3.312 20 30 CGEDLO Cc1c(F)cccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092144808 165282899 /nfs/dbraw/zinc/28/28/99/165282899.db2.gz FMZHWMLCKMYUFZ-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)c(C)c1 ZINC000092140172 165284028 /nfs/dbraw/zinc/28/40/28/165284028.db2.gz DRQVOGIEIXFHGP-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C=CC[C@H]1N(C(=O)CCCn2cc[nH+]c2)CCCC1(C)C ZINC000683458007 543916429 /nfs/dbraw/zinc/91/64/29/543916429.db2.gz VLTWJGQCNTUPGB-OAHLLOKOSA-N 1 2 289.423 3.257 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCc3sccc3[C@H]2C)nn1 ZINC000653484440 419036319 /nfs/dbraw/zinc/03/63/19/419036319.db2.gz JUJFMZUWCYHKNQ-GFCCVEGCSA-N 1 2 288.420 3.035 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCc3sccc3[C@H]2C)nn1 ZINC000653484440 419036323 /nfs/dbraw/zinc/03/63/23/419036323.db2.gz JUJFMZUWCYHKNQ-GFCCVEGCSA-N 1 2 288.420 3.035 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2cccc(Cl)c2)nn1 ZINC000653489420 419036939 /nfs/dbraw/zinc/03/69/39/419036939.db2.gz DPDFGXWWGDGRDS-UHFFFAOYSA-N 1 2 290.798 3.140 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2cccc(Cl)c2)nn1 ZINC000653489420 419036943 /nfs/dbraw/zinc/03/69/43/419036943.db2.gz DPDFGXWWGDGRDS-UHFFFAOYSA-N 1 2 290.798 3.140 20 30 CGEDLO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)nn1 ZINC000653564822 419050566 /nfs/dbraw/zinc/05/05/66/419050566.db2.gz NFMFMGYDYRRDJM-YOEHRIQHSA-N 1 2 282.391 3.047 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)nn1 ZINC000653564822 419050568 /nfs/dbraw/zinc/05/05/68/419050568.db2.gz NFMFMGYDYRRDJM-YOEHRIQHSA-N 1 2 282.391 3.047 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(NC)c2ccccc2[nH+]1 ZINC000664577833 418981918 /nfs/dbraw/zinc/98/19/18/418981918.db2.gz UQMBVYFTKZAYFC-BETUJISGSA-N 1 2 280.375 3.359 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCC(C)=C(c3ccco3)C2)nn1 ZINC000653663889 419067934 /nfs/dbraw/zinc/06/79/34/419067934.db2.gz TUSIUEZKZKWUNQ-UHFFFAOYSA-N 1 2 298.390 3.127 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCC(C)=C(c3ccco3)C2)nn1 ZINC000653663889 419067935 /nfs/dbraw/zinc/06/79/35/419067935.db2.gz TUSIUEZKZKWUNQ-UHFFFAOYSA-N 1 2 298.390 3.127 20 30 CGEDLO C=CCCC(C)(C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000665163344 419069407 /nfs/dbraw/zinc/06/94/07/419069407.db2.gz FVUPPNKPIRCBMA-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C=CCOCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662092018 419334766 /nfs/dbraw/zinc/33/47/66/419334766.db2.gz IFAXHLOJQUVKGK-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCOCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662092018 419334768 /nfs/dbraw/zinc/33/47/68/419334768.db2.gz IFAXHLOJQUVKGK-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000352097153 228182306 /nfs/dbraw/zinc/18/23/06/228182306.db2.gz NWZKPXUDZFZJJO-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000352097153 228182307 /nfs/dbraw/zinc/18/23/07/228182307.db2.gz NWZKPXUDZFZJJO-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000336239534 228219336 /nfs/dbraw/zinc/21/93/36/228219336.db2.gz XUYGSBLKAAMFHL-BTDLBPIBSA-N 1 2 296.374 3.349 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1nc(C)cs1 ZINC000037988432 260123191 /nfs/dbraw/zinc/12/31/91/260123191.db2.gz RVWHCEHCWHEPEW-UHFFFAOYSA-N 1 2 274.389 3.306 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1ccccc1Br ZINC000068607800 260143278 /nfs/dbraw/zinc/14/32/78/260143278.db2.gz SZGZMFJRHLNWPT-ZJUUUORDSA-N 1 2 267.170 3.402 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccccc1C#N ZINC000072691759 260277529 /nfs/dbraw/zinc/27/75/29/260277529.db2.gz ADQQCBSSMWWETI-UHFFFAOYSA-N 1 2 255.365 3.320 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1C#N ZINC000072691759 260277530 /nfs/dbraw/zinc/27/75/30/260277530.db2.gz ADQQCBSSMWWETI-UHFFFAOYSA-N 1 2 255.365 3.320 20 30 CGEDLO CCO[C@@H](CC/[NH+]=C/c1cccc(OC)c1O)C(C)C ZINC000080618649 260317036 /nfs/dbraw/zinc/31/70/36/260317036.db2.gz SCPNLWVYQYHHSB-MPMPPSQCSA-N 1 2 279.380 3.271 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCC[C@@H]2CCCCO2)c1 ZINC000184306799 262015803 /nfs/dbraw/zinc/01/58/03/262015803.db2.gz XENCZTVLNKGEAT-IQGJIOQQSA-N 1 2 277.364 3.169 20 30 CGEDLO N#C[C@@H]1CCC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000193176464 262217955 /nfs/dbraw/zinc/21/79/55/262217955.db2.gz BOUXWLNKFLSIHV-KGLIPLIRSA-N 1 2 266.348 3.367 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)cc1F)C[C@H](C)C#N ZINC000162170857 262325633 /nfs/dbraw/zinc/32/56/33/262325633.db2.gz HQLCYJPGBNHBHF-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)cc1F)C[C@H](C)C#N ZINC000162170857 262325635 /nfs/dbraw/zinc/32/56/35/262325635.db2.gz HQLCYJPGBNHBHF-SNVBAGLBSA-N 1 2 254.736 3.461 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000337533102 262456437 /nfs/dbraw/zinc/45/64/37/262456437.db2.gz FHRZOFAMCQQGOT-HNNXBMFYSA-N 1 2 295.386 3.203 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000276818416 263038136 /nfs/dbraw/zinc/03/81/36/263038136.db2.gz YVCUVTQSTJIRRG-ZDUSSCGKSA-N 1 2 258.365 3.067 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000276818416 263038137 /nfs/dbraw/zinc/03/81/37/263038137.db2.gz YVCUVTQSTJIRRG-ZDUSSCGKSA-N 1 2 258.365 3.067 20 30 CGEDLO Cc1cccc2[nH+]c(CN3CCCC(C)(C)[C@@H]3C#N)cn21 ZINC000277939708 263044616 /nfs/dbraw/zinc/04/46/16/263044616.db2.gz ZGFWSBKULNSGCM-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H](C)[C@H]2CCOC2)c(O)c1 ZINC000280965787 263065361 /nfs/dbraw/zinc/06/53/61/263065361.db2.gz ITADALPMXWKQJZ-STYDFJLESA-N 1 2 277.364 3.025 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCC1(O)CCC1 ZINC000284041595 263085611 /nfs/dbraw/zinc/08/56/11/263085611.db2.gz RSESERQOFLUEOV-LDADJPATSA-N 1 2 269.344 3.269 20 30 CGEDLO CCc1ccc(/C=N/OCc2c[nH+]ccc2OC)cc1 ZINC000288634896 263105316 /nfs/dbraw/zinc/10/53/16/263105316.db2.gz PVASHTYSWJITHB-VCHYOVAHSA-N 1 2 270.332 3.203 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289145550 263107709 /nfs/dbraw/zinc/10/77/09/263107709.db2.gz PUOCNCVNXZCZNW-PGLGOXFNSA-N 1 2 250.292 3.069 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289145550 263107710 /nfs/dbraw/zinc/10/77/10/263107710.db2.gz PUOCNCVNXZCZNW-PGLGOXFNSA-N 1 2 250.292 3.069 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc([C@H](C)O)s1 ZINC000289317399 263109112 /nfs/dbraw/zinc/10/91/12/263109112.db2.gz JSSGDAKMYIBUFL-LBPRGKRZSA-N 1 2 295.452 3.348 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc([C@H](C)O)s1 ZINC000289317399 263109113 /nfs/dbraw/zinc/10/91/13/263109113.db2.gz JSSGDAKMYIBUFL-LBPRGKRZSA-N 1 2 295.452 3.348 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCCC(=O)c1ccccc1 ZINC000295171195 263173776 /nfs/dbraw/zinc/17/37/76/263173776.db2.gz GMXCUHJDNZIOPG-UHFFFAOYSA-N 1 2 256.349 3.051 20 30 CGEDLO C=CC[N@H+](CCC#N)CCCC(=O)c1ccccc1 ZINC000295171195 263173777 /nfs/dbraw/zinc/17/37/77/263173777.db2.gz GMXCUHJDNZIOPG-UHFFFAOYSA-N 1 2 256.349 3.051 20 30 CGEDLO C[C@H](CCC#N)[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000299187406 263234343 /nfs/dbraw/zinc/23/43/43/263234343.db2.gz CKVQZVDUVJYTRH-MRVPVSSYSA-N 1 2 277.315 3.286 20 30 CGEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000299187406 263234344 /nfs/dbraw/zinc/23/43/44/263234344.db2.gz CKVQZVDUVJYTRH-MRVPVSSYSA-N 1 2 277.315 3.286 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000299372827 263240985 /nfs/dbraw/zinc/24/09/85/263240985.db2.gz SAJHYLQOBVFINI-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000299372827 263240988 /nfs/dbraw/zinc/24/09/88/263240988.db2.gz SAJHYLQOBVFINI-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C=CCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341236314 263328430 /nfs/dbraw/zinc/32/84/30/263328430.db2.gz GWXPUBBIXRYJJY-UHFFFAOYSA-N 1 2 289.423 3.258 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000341979420 263370027 /nfs/dbraw/zinc/37/00/27/263370027.db2.gz ORPLEACFFDTZCC-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000341983709 263370987 /nfs/dbraw/zinc/37/09/87/263370987.db2.gz UPAGVYOLJSGPFR-LBPRGKRZSA-N 1 2 294.345 3.278 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000341986913 263381171 /nfs/dbraw/zinc/38/11/71/263381171.db2.gz GMUDNGBXPMHURS-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C#CCN(Cc1[nH+]ccn1C(C)C)Cc1ccccc1 ZINC000285670624 264557562 /nfs/dbraw/zinc/55/75/62/264557562.db2.gz MPIQBXOKHRMAJQ-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103466585 270045913 /nfs/dbraw/zinc/04/59/13/270045913.db2.gz OESFIBODOIKZKQ-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103466585 270045914 /nfs/dbraw/zinc/04/59/14/270045914.db2.gz OESFIBODOIKZKQ-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](CC)O1 ZINC000398553291 266378200 /nfs/dbraw/zinc/37/82/00/266378200.db2.gz YLSGEGGFQDJQDA-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](CC)O1 ZINC000398553291 266378203 /nfs/dbraw/zinc/37/82/03/266378203.db2.gz YLSGEGGFQDJQDA-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000368148440 267149439 /nfs/dbraw/zinc/14/94/39/267149439.db2.gz ODRGSOJIMMFTQX-LLVKDONJSA-N 1 2 269.797 3.188 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000368148440 267149442 /nfs/dbraw/zinc/14/94/42/267149442.db2.gz ODRGSOJIMMFTQX-LLVKDONJSA-N 1 2 269.797 3.188 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)CC(C)(C)C#N ZINC000433295862 267314945 /nfs/dbraw/zinc/31/49/45/267314945.db2.gz QLNCVYFOHJWQNH-UHFFFAOYSA-N 1 2 261.756 3.193 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)CC(C)(C)C#N ZINC000433295862 267314947 /nfs/dbraw/zinc/31/49/47/267314947.db2.gz QLNCVYFOHJWQNH-UHFFFAOYSA-N 1 2 261.756 3.193 20 30 CGEDLO Cc1ccc(C[C@@H]([NH2+]CCC#N)c2ccccn2)cc1 ZINC000562996010 327739605 /nfs/dbraw/zinc/73/96/05/327739605.db2.gz NRKLRBXEUWWCHK-QGZVFWFLSA-N 1 2 265.360 3.177 20 30 CGEDLO C=CCC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC000563221886 327980373 /nfs/dbraw/zinc/98/03/73/327980373.db2.gz PLINEOMNSILVHI-AWEZNQCLSA-N 1 2 275.396 3.087 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1OC(F)F ZINC000534342074 328049833 /nfs/dbraw/zinc/04/98/33/328049833.db2.gz CLRNQFCWYUMLFX-UHFFFAOYSA-N 1 2 298.333 3.421 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OC(F)F ZINC000534342074 328049834 /nfs/dbraw/zinc/04/98/34/328049834.db2.gz CLRNQFCWYUMLFX-UHFFFAOYSA-N 1 2 298.333 3.421 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563392618 328060294 /nfs/dbraw/zinc/06/02/94/328060294.db2.gz NGDXNYTVNPXYOF-OAHLLOKOSA-N 1 2 297.402 3.193 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563392618 328060296 /nfs/dbraw/zinc/06/02/96/328060296.db2.gz NGDXNYTVNPXYOF-OAHLLOKOSA-N 1 2 297.402 3.193 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000411765385 328099234 /nfs/dbraw/zinc/09/92/34/328099234.db2.gz BSOULFHBEAESHA-CMPLNLGQSA-N 1 2 278.318 3.110 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000411765385 328099236 /nfs/dbraw/zinc/09/92/36/328099236.db2.gz BSOULFHBEAESHA-CMPLNLGQSA-N 1 2 278.318 3.110 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccc(C)o2)n1 ZINC000583701475 329092942 /nfs/dbraw/zinc/09/29/42/329092942.db2.gz PJRCYXJKXWGGTJ-NSHDSACASA-N 1 2 275.377 3.493 20 30 CGEDLO Oc1cccc(/C=[NH+]/[C@H]2CCOC3(CCCCC3)C2)c1O ZINC000269049704 328189211 /nfs/dbraw/zinc/18/92/11/328189211.db2.gz UYXLAKHFZXOXJP-QCUKBLKESA-N 1 2 289.375 3.399 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282642517 328242785 /nfs/dbraw/zinc/24/27/85/328242785.db2.gz BTQGFEUGBDVUJP-UHFFFAOYSA-N 1 2 293.342 3.496 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282642517 328242787 /nfs/dbraw/zinc/24/27/87/328242787.db2.gz BTQGFEUGBDVUJP-UHFFFAOYSA-N 1 2 293.342 3.496 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289026130 328253785 /nfs/dbraw/zinc/25/37/85/328253785.db2.gz ARMXVGJCRVHNOY-UFFNRZRYSA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000289026130 328253787 /nfs/dbraw/zinc/25/37/87/328253787.db2.gz ARMXVGJCRVHNOY-UFFNRZRYSA-N 1 2 250.292 3.212 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OC)c(OCCC)c1 ZINC000292745925 328273230 /nfs/dbraw/zinc/27/32/30/328273230.db2.gz HYVFEIAMQXBDGL-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OC)c(OCCC)c1 ZINC000292745925 328273231 /nfs/dbraw/zinc/27/32/31/328273231.db2.gz HYVFEIAMQXBDGL-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO COc1cc(C#N)ccc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000159603708 321837444 /nfs/dbraw/zinc/83/74/44/321837444.db2.gz XOSNRVPJAUKLON-UHFFFAOYSA-N 1 2 299.280 3.243 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncc(C#N)cn1)c1cccc(C2CC2)c1 ZINC000573668731 322399993 /nfs/dbraw/zinc/39/99/93/322399993.db2.gz KICJGQULABCOPE-GFCCVEGCSA-N 1 2 278.359 3.076 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428086075 328490710 /nfs/dbraw/zinc/49/07/10/328490710.db2.gz CRPNEEUVTLRRSQ-HOCLYGCPSA-N 1 2 291.391 3.244 20 30 CGEDLO C=CCCCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294356459 328548831 /nfs/dbraw/zinc/54/88/31/328548831.db2.gz XUILBKKGVXDTBU-MRXNPFEDSA-N 1 2 283.375 3.314 20 30 CGEDLO Cc1cccn2cc(COc3ccc(C#N)cc3F)[nH+]c12 ZINC000583357327 327318048 /nfs/dbraw/zinc/31/80/48/327318048.db2.gz SWTNFFOXFJVWCB-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000179455833 329208525 /nfs/dbraw/zinc/20/85/25/329208525.db2.gz PFOUIZDCACASTE-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000179455833 329208526 /nfs/dbraw/zinc/20/85/26/329208526.db2.gz PFOUIZDCACASTE-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC000181042809 329225114 /nfs/dbraw/zinc/22/51/14/329225114.db2.gz UIYVQDQPMNILIZ-NEPJUHHUSA-N 1 2 257.337 3.370 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1nc2ccccc2o1 ZINC000181042809 329225116 /nfs/dbraw/zinc/22/51/16/329225116.db2.gz UIYVQDQPMNILIZ-NEPJUHHUSA-N 1 2 257.337 3.370 20 30 CGEDLO CC#CCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000185097597 329268005 /nfs/dbraw/zinc/26/80/05/329268005.db2.gz YRWVKYNCXRRQDG-UHFFFAOYSA-N 1 2 256.324 3.079 20 30 CGEDLO CC#CCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000185097597 329268006 /nfs/dbraw/zinc/26/80/06/329268006.db2.gz YRWVKYNCXRRQDG-UHFFFAOYSA-N 1 2 256.324 3.079 20 30 CGEDLO CC#CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000189975861 329389952 /nfs/dbraw/zinc/38/99/52/329389952.db2.gz ZGVGEXPRIOIBHI-UHFFFAOYSA-N 1 2 281.315 3.019 20 30 CGEDLO C[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)n1cc[nH+]c1 ZINC000583875694 329524262 /nfs/dbraw/zinc/52/42/62/329524262.db2.gz QLOZNHPYSCJSGA-ZDUSSCGKSA-N 1 2 296.374 3.274 20 30 CGEDLO N#CCSCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050488363 329647710 /nfs/dbraw/zinc/64/77/10/329647710.db2.gz NKMMTMGSOYDHBA-UHFFFAOYSA-N 1 2 299.355 3.069 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2SC)nn1 ZINC000424300993 330337902 /nfs/dbraw/zinc/33/79/02/330337902.db2.gz YYJUURKRBQMWCZ-GFCCVEGCSA-N 1 2 288.420 3.037 20 30 CGEDLO C=CCOCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451159145 331018136 /nfs/dbraw/zinc/01/81/36/331018136.db2.gz BWPLBFCPEVMGQX-UHFFFAOYSA-N 1 2 269.747 3.040 20 30 CGEDLO C=CCOCC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451159145 331018137 /nfs/dbraw/zinc/01/81/37/331018137.db2.gz BWPLBFCPEVMGQX-UHFFFAOYSA-N 1 2 269.747 3.040 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CCCC1 ZINC000456396532 331192046 /nfs/dbraw/zinc/19/20/46/331192046.db2.gz BCBWOGABMIFPMP-OLZOCXBDSA-N 1 2 273.380 3.142 20 30 CGEDLO C=CCC1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCC1 ZINC000456499461 331194432 /nfs/dbraw/zinc/19/44/32/331194432.db2.gz BVSVLXXZRZKLBW-CYBMUJFWSA-N 1 2 287.407 3.082 20 30 CGEDLO C=CCC1(CNC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CCCC1 ZINC000456499461 331194433 /nfs/dbraw/zinc/19/44/33/331194433.db2.gz BVSVLXXZRZKLBW-CYBMUJFWSA-N 1 2 287.407 3.082 20 30 CGEDLO CC1(C#N)C[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C1 ZINC000459593204 331289886 /nfs/dbraw/zinc/28/98/86/331289886.db2.gz NYJFPYXQMZKBES-WBVHZDCISA-N 1 2 254.377 3.342 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncs1)c1ccc(Cl)cc1F ZINC000491416207 332207702 /nfs/dbraw/zinc/20/77/02/332207702.db2.gz JQORYYIBHZCCMH-CYBMUJFWSA-N 1 2 280.755 3.400 20 30 CGEDLO C#C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1 ZINC000491623080 332247753 /nfs/dbraw/zinc/24/77/53/332247753.db2.gz HRRJFBWPYOHPCQ-SWLSCSKDSA-N 1 2 254.308 3.246 20 30 CGEDLO C=CC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000500838701 332619957 /nfs/dbraw/zinc/61/99/57/332619957.db2.gz ZUSUJFLTGWSDQM-ZFWWWQNUSA-N 1 2 261.365 3.153 20 30 CGEDLO COc1cc2c(cc1C[N@H+](C)CC(C)(C)C#N)O[C@H](C)C2 ZINC000516752862 333081772 /nfs/dbraw/zinc/08/17/72/333081772.db2.gz SEDDPRDDEOUKGI-GFCCVEGCSA-N 1 2 288.391 3.000 20 30 CGEDLO COc1cc2c(cc1C[N@@H+](C)CC(C)(C)C#N)O[C@H](C)C2 ZINC000516752862 333081773 /nfs/dbraw/zinc/08/17/73/333081773.db2.gz SEDDPRDDEOUKGI-GFCCVEGCSA-N 1 2 288.391 3.000 20 30 CGEDLO C=CCN(Cc1[nH+]ccn1CC)Cc1ccc(OC)cc1 ZINC000195514994 333254553 /nfs/dbraw/zinc/25/45/53/333254553.db2.gz OBKIOIZJMYSHID-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO C=CC[N@@H+](Cc1nccn1CC)Cc1ccc(OC)cc1 ZINC000195514994 333254554 /nfs/dbraw/zinc/25/45/54/333254554.db2.gz OBKIOIZJMYSHID-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO C=CC[N@H+](Cc1nccn1CC)Cc1ccc(OC)cc1 ZINC000195514994 333254556 /nfs/dbraw/zinc/25/45/56/333254556.db2.gz OBKIOIZJMYSHID-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H](C)C#N ZINC000543623416 333885318 /nfs/dbraw/zinc/88/53/18/333885318.db2.gz CDZRJAOMHAUMCN-LLVKDONJSA-N 1 2 288.782 3.083 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000545223323 333970893 /nfs/dbraw/zinc/97/08/93/333970893.db2.gz HIAONEQKDYEMKJ-UHFFFAOYSA-N 1 2 269.348 3.014 20 30 CGEDLO CC(C)(C)C[N@@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000132849813 334007656 /nfs/dbraw/zinc/00/76/56/334007656.db2.gz WCVXVZVSQWMYEW-UHFFFAOYSA-N 1 2 272.367 3.439 20 30 CGEDLO CC(C)(C)C[N@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000132849813 334007658 /nfs/dbraw/zinc/00/76/58/334007658.db2.gz WCVXVZVSQWMYEW-UHFFFAOYSA-N 1 2 272.367 3.439 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000549553006 334197899 /nfs/dbraw/zinc/19/78/99/334197899.db2.gz QQLLEEHMANNABK-KFNAQCHYSA-N 1 2 292.329 3.030 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)C1 ZINC000549553006 334197900 /nfs/dbraw/zinc/19/79/00/334197900.db2.gz QQLLEEHMANNABK-KFNAQCHYSA-N 1 2 292.329 3.030 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000550140668 334214178 /nfs/dbraw/zinc/21/41/78/334214178.db2.gz JMDQUKRBOFSFSH-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000550140668 334214179 /nfs/dbraw/zinc/21/41/79/334214179.db2.gz JMDQUKRBOFSFSH-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000580678581 335320834 /nfs/dbraw/zinc/32/08/34/335320834.db2.gz RUXGPBCWSFLDGM-OAHLLOKOSA-N 1 2 289.419 3.447 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)OC(C)(C)C ZINC000580678581 335320835 /nfs/dbraw/zinc/32/08/35/335320835.db2.gz RUXGPBCWSFLDGM-OAHLLOKOSA-N 1 2 289.419 3.447 20 30 CGEDLO CC(C)COc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000581865048 336154220 /nfs/dbraw/zinc/15/42/20/336154220.db2.gz RSTUSTCPOIJJTL-UHFFFAOYSA-N 1 2 258.365 3.115 20 30 CGEDLO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)C1 ZINC000581926342 336169706 /nfs/dbraw/zinc/16/97/06/336169706.db2.gz PBJZEZSWMLRVGJ-QEJZJMRPSA-N 1 2 287.411 3.098 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000332190112 534528470 /nfs/dbraw/zinc/52/84/70/534528470.db2.gz PHDKGUMGAXUNDQ-CABCVRRESA-N 1 2 281.359 3.432 20 30 CGEDLO COC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000184552095 522731143 /nfs/dbraw/zinc/73/11/43/522731143.db2.gz JFDHPVFQYSXRBM-HNNXBMFYSA-N 1 2 289.762 3.262 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000428304436 534763823 /nfs/dbraw/zinc/76/38/23/534763823.db2.gz VHKFLIOISIJKDA-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000428304436 534763831 /nfs/dbraw/zinc/76/38/31/534763831.db2.gz VHKFLIOISIJKDA-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1c(F)cncc1F ZINC000353132035 525518449 /nfs/dbraw/zinc/51/84/49/525518449.db2.gz CJJODVHEKNURTI-SECBINFHSA-N 1 2 291.276 3.221 20 30 CGEDLO CCC[N@@H+](CC#N)CC[C@@H](C)OCc1ccccc1 ZINC000354916280 527878867 /nfs/dbraw/zinc/87/88/67/527878867.db2.gz LZXRXIFKALQZRP-OAHLLOKOSA-N 1 2 260.381 3.217 20 30 CGEDLO CCC[N@H+](CC#N)CC[C@@H](C)OCc1ccccc1 ZINC000354916280 527878870 /nfs/dbraw/zinc/87/88/70/527878870.db2.gz LZXRXIFKALQZRP-OAHLLOKOSA-N 1 2 260.381 3.217 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@@H](C)C#N)cc2[nH+]1 ZINC000347043514 529045509 /nfs/dbraw/zinc/04/55/09/529045509.db2.gz WYOLOVCRWXLLEE-JTQLQIEISA-N 1 2 270.336 3.004 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2c(C)cccc2C)cc1 ZINC000738288667 572369897 /nfs/dbraw/zinc/36/98/97/572369897.db2.gz JGVKPOYPERIASF-UHFFFAOYSA-N 1 2 284.359 3.149 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000731159998 572398961 /nfs/dbraw/zinc/39/89/61/572398961.db2.gz ZYNZEQGAEAPPOM-HJWRWDBZSA-N 1 2 292.342 3.108 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cccc(F)c2F)cc1 ZINC000743443505 572662137 /nfs/dbraw/zinc/66/21/37/572662137.db2.gz HOBOGGBQXGXUTE-UHFFFAOYSA-N 1 2 275.302 3.477 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000735620156 572735647 /nfs/dbraw/zinc/73/56/47/572735647.db2.gz VNQKHJXVZXDMTM-AZLMUWTNSA-N 1 2 291.391 3.358 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CC1CCC(OC)CC1 ZINC000749931977 573062046 /nfs/dbraw/zinc/06/20/46/573062046.db2.gz YJZJTLYOIZCWRK-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000781908305 628603874 /nfs/dbraw/zinc/60/38/74/628603874.db2.gz JHXPSIMXISGODW-JTQLQIEISA-N 1 2 297.196 3.197 20 30 CGEDLO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000781908305 628603876 /nfs/dbraw/zinc/60/38/76/628603876.db2.gz JHXPSIMXISGODW-JTQLQIEISA-N 1 2 297.196 3.197 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cnn(C2CCC2)c1 ZINC000899400998 620692110 /nfs/dbraw/zinc/69/21/10/620692110.db2.gz QMHZFBVQCAFOOR-SREVYHEPSA-N 1 2 284.363 3.282 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC000957351265 613296474 /nfs/dbraw/zinc/29/64/74/613296474.db2.gz XSCTVOXFQMERGW-UHFFFAOYSA-N 1 2 286.419 3.026 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc3ccccc32)C1 ZINC000957350978 613658039 /nfs/dbraw/zinc/65/80/39/613658039.db2.gz PGLXLMGUXNZHOE-UHFFFAOYSA-N 1 2 294.398 3.172 20 30 CGEDLO C=CC[C@H]1CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000890553279 617639085 /nfs/dbraw/zinc/63/90/85/617639085.db2.gz SHNCAJUHIYTQNX-HOTGVXAUSA-N 1 2 295.386 3.109 20 30 CGEDLO CC(C)(C)CCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000782903259 618880728 /nfs/dbraw/zinc/88/07/28/618880728.db2.gz SSCPIRPHIRKEPO-UHFFFAOYSA-N 1 2 274.412 3.064 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1O ZINC000926838787 618925088 /nfs/dbraw/zinc/92/50/88/618925088.db2.gz UVGDKHZDPMRGCZ-IUODEOHRSA-N 1 2 256.349 3.271 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008283535 619076301 /nfs/dbraw/zinc/07/63/01/619076301.db2.gz VMMBSJVYZICXIX-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008283535 619076302 /nfs/dbraw/zinc/07/63/02/619076302.db2.gz VMMBSJVYZICXIX-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000893525315 619203834 /nfs/dbraw/zinc/20/38/34/619203834.db2.gz BTYMMZSBVXNYKT-INIZCTEOSA-N 1 2 274.412 3.207 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000893525315 619203837 /nfs/dbraw/zinc/20/38/37/619203837.db2.gz BTYMMZSBVXNYKT-INIZCTEOSA-N 1 2 274.412 3.207 20 30 CGEDLO CC1(C)C[NH+](Cc2csc(C#N)c2)CC(C)(C)O1 ZINC000893910009 619330849 /nfs/dbraw/zinc/33/08/49/619330849.db2.gz AMAVMYAXSQBIDI-UHFFFAOYSA-N 1 2 264.394 3.009 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000894104233 619375303 /nfs/dbraw/zinc/37/53/03/619375303.db2.gz ZZISBJSGZBTHCC-CQSZACIVSA-N 1 2 296.399 3.064 20 30 CGEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000924977471 619472117 /nfs/dbraw/zinc/47/21/17/619472117.db2.gz ASOXGKMMVBGFSF-CQSZACIVSA-N 1 2 285.322 3.161 20 30 CGEDLO C[C@H](CC(=O)OCCCCC1(C#N)CCC1)n1cc[nH+]c1 ZINC000909412663 619655975 /nfs/dbraw/zinc/65/59/75/619655975.db2.gz MUCJSIHUVSYANZ-CQSZACIVSA-N 1 2 289.379 3.242 20 30 CGEDLO Cc1cccc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c1 ZINC000049066026 619678885 /nfs/dbraw/zinc/67/88/85/619678885.db2.gz WNQQXUNSASBTMM-UHFFFAOYSA-N 1 2 272.323 3.280 20 30 CGEDLO O=C1c2ccc(O)cc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000178944993 619706567 /nfs/dbraw/zinc/70/65/67/619706567.db2.gz ZFVLVPNISAYIEK-JLHYYAGUSA-N 1 2 290.322 3.252 20 30 CGEDLO Cc1nc(C[NH2+]CC2(C#N)CCCCC2)sc1C ZINC000895403590 619823624 /nfs/dbraw/zinc/82/36/24/619823624.db2.gz NEVZMIYOMVABQZ-UHFFFAOYSA-N 1 2 263.410 3.324 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)n1 ZINC000895690686 619871151 /nfs/dbraw/zinc/87/11/51/619871151.db2.gz KGGCWOXPKOYHFF-DLBZAZTESA-N 1 2 281.334 3.068 20 30 CGEDLO C=CCOc1cccc(NC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC000895856330 619897809 /nfs/dbraw/zinc/89/78/09/619897809.db2.gz WWAMZHDWKNMFIG-UHFFFAOYSA-N 1 2 299.374 3.130 20 30 CGEDLO C=C1CC(C)(c2noc(-c3ccn4c(C)c[nH+]c4c3)n2)C1 ZINC000896923728 620103897 /nfs/dbraw/zinc/10/38/97/620103897.db2.gz PENIFQMPWJYBJQ-UHFFFAOYSA-N 1 2 280.331 3.300 20 30 CGEDLO C=CCC1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCC1 ZINC000897920739 620449961 /nfs/dbraw/zinc/44/99/61/620449961.db2.gz RNSWHTZSIAAKME-UHFFFAOYSA-N 1 2 289.423 3.179 20 30 CGEDLO Cc1[nH]c(/C=C2/CCc3c(F)cccc3C2=O)[nH+]c1C ZINC000901544362 620932879 /nfs/dbraw/zinc/93/28/79/620932879.db2.gz PKBMTFPSUWOGSG-FLIBITNWSA-N 1 2 270.307 3.378 20 30 CGEDLO C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000902878767 621481816 /nfs/dbraw/zinc/48/18/16/621481816.db2.gz LRXAVCMNHMHJEO-BONVTDFDSA-N 1 2 299.761 3.391 20 30 CGEDLO CCCn1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)nn1 ZINC000902884714 621483735 /nfs/dbraw/zinc/48/37/35/621483735.db2.gz LEKHPISGPBSAKV-GDBMZVCRSA-N 1 2 297.406 3.384 20 30 CGEDLO CCCc1nc(C)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)o1 ZINC000903000165 621524323 /nfs/dbraw/zinc/52/43/23/621524323.db2.gz SXQQUYWEMKIAHU-LLVKDONJSA-N 1 2 284.363 3.053 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C#N)cc1F ZINC000903109320 621582661 /nfs/dbraw/zinc/58/26/61/621582661.db2.gz NJIKMBLTJZFYLI-GFCCVEGCSA-N 1 2 271.339 3.432 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1O ZINC000903190939 621628058 /nfs/dbraw/zinc/62/80/58/621628058.db2.gz ISGZYORAVHEVGW-SNVBAGLBSA-N 1 2 299.399 3.060 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000151154581 622737415 /nfs/dbraw/zinc/73/74/15/622737415.db2.gz QSHOQQXAEURHDJ-CYBMUJFWSA-N 1 2 281.758 3.473 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000151154581 622737422 /nfs/dbraw/zinc/73/74/22/622737422.db2.gz QSHOQQXAEURHDJ-CYBMUJFWSA-N 1 2 281.758 3.473 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000171353000 623152430 /nfs/dbraw/zinc/15/24/30/623152430.db2.gz ZINOXGRMNGZXOU-LBPRGKRZSA-N 1 2 288.819 3.070 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000171353000 623152431 /nfs/dbraw/zinc/15/24/31/623152431.db2.gz ZINOXGRMNGZXOU-LBPRGKRZSA-N 1 2 288.819 3.070 20 30 CGEDLO CCc1cnc(CC/[NH+]=C/c2ccccc2O)s1 ZINC000173990428 623352965 /nfs/dbraw/zinc/35/29/65/623352965.db2.gz WNCNSYGXFXFZQO-OQLLNIDSSA-N 1 2 260.362 3.073 20 30 CGEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NNC2CC2)CC1 ZINC000758132440 623494177 /nfs/dbraw/zinc/49/41/77/623494177.db2.gz FQCGDTRXFOQGPM-UHFFFAOYSA-N 1 2 295.789 3.183 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992986830 623776418 /nfs/dbraw/zinc/77/64/18/623776418.db2.gz HDMGFHFZCKULMQ-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992986830 623776439 /nfs/dbraw/zinc/77/64/39/623776439.db2.gz HDMGFHFZCKULMQ-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO Fc1cccc(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000915965344 624092796 /nfs/dbraw/zinc/09/27/96/624092796.db2.gz MUFLHWOXKLOXRY-UHFFFAOYSA-N 1 2 294.333 3.135 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCCOC(C)C)c(O)c1 ZINC000920942874 624554189 /nfs/dbraw/zinc/55/41/89/624554189.db2.gz MLOHRPUMQTZIQS-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO NC(Cc1cccnc1)=[NH+]O[C@H]1CCCc2ccc(F)cc21 ZINC000180089392 624716183 /nfs/dbraw/zinc/71/61/83/624716183.db2.gz SYNYNVPCEWIZOG-INIZCTEOSA-N 1 2 299.349 3.130 20 30 CGEDLO C=C(Br)C[NH2+]Cc1cc(C)cnc1Cl ZINC000921691854 625844528 /nfs/dbraw/zinc/84/45/28/625844528.db2.gz OFXBXEXGQBSRHZ-UHFFFAOYSA-N 1 2 275.577 3.042 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C\c2cccc3[nH+]ccn32)co1 ZINC000752887663 626441557 /nfs/dbraw/zinc/44/15/57/626441557.db2.gz KVMUYZFBOOBSGR-SREVYHEPSA-N 1 2 281.315 3.342 20 30 CGEDLO C#CCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000760848181 626996639 /nfs/dbraw/zinc/99/66/39/626996639.db2.gz TUGCNBFDGLJLDQ-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO C#CCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000760848181 626996642 /nfs/dbraw/zinc/99/66/42/626996642.db2.gz TUGCNBFDGLJLDQ-UHFFFAOYSA-N 1 2 254.160 3.375 20 30 CGEDLO CN(C)c1cc(CSc2ccc(C#N)cc2)cc[nH+]1 ZINC000762475770 627111884 /nfs/dbraw/zinc/11/18/84/627111884.db2.gz TXKWWMWSSMBICV-UHFFFAOYSA-N 1 2 269.373 3.312 20 30 CGEDLO C#CC[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC1 ZINC000763950668 627186919 /nfs/dbraw/zinc/18/69/19/627186919.db2.gz NRPMUVZFTPKDLZ-UHFFFAOYSA-N 1 2 294.185 3.239 20 30 CGEDLO C#CC[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC1 ZINC000763950668 627186921 /nfs/dbraw/zinc/18/69/21/627186921.db2.gz NRPMUVZFTPKDLZ-UHFFFAOYSA-N 1 2 294.185 3.239 20 30 CGEDLO CC#CCCCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000768126203 627461387 /nfs/dbraw/zinc/46/13/87/627461387.db2.gz ULTKNHPKZGJNLM-KRWDZBQOSA-N 1 2 287.403 3.416 20 30 CGEDLO CC#CCCCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000768126203 627461390 /nfs/dbraw/zinc/46/13/90/627461390.db2.gz ULTKNHPKZGJNLM-KRWDZBQOSA-N 1 2 287.403 3.416 20 30 CGEDLO O=C(C=Cc1cccc2[nH+]ccn21)c1c[nH]c2ncccc12 ZINC000769609160 627569164 /nfs/dbraw/zinc/56/91/64/627569164.db2.gz HEBXBHVCEFSSFX-SREVYHEPSA-N 1 2 288.310 3.107 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000775616489 628114393 /nfs/dbraw/zinc/11/43/93/628114393.db2.gz DUIPOYQIWFSDMA-SECBINFHSA-N 1 2 273.311 3.153 20 30 CGEDLO CC[N@H+](C)[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 ZINC000776385102 628202484 /nfs/dbraw/zinc/20/24/84/628202484.db2.gz CPPKZXBBVJDDTK-OAHLLOKOSA-N 1 2 288.391 3.162 20 30 CGEDLO CC[N@@H+](C)[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 ZINC000776385102 628202485 /nfs/dbraw/zinc/20/24/85/628202485.db2.gz CPPKZXBBVJDDTK-OAHLLOKOSA-N 1 2 288.391 3.162 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1Cl ZINC000776578260 628219812 /nfs/dbraw/zinc/21/98/12/628219812.db2.gz GALQOTLFXCTEQL-UHFFFAOYSA-N 1 2 293.798 3.150 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1Cl ZINC000776578260 628219819 /nfs/dbraw/zinc/21/98/19/628219819.db2.gz GALQOTLFXCTEQL-UHFFFAOYSA-N 1 2 293.798 3.150 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000777960525 628314934 /nfs/dbraw/zinc/31/49/34/628314934.db2.gz GEMHFDXDFZXRKM-CQSZACIVSA-N 1 2 278.783 3.079 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000777960525 628314938 /nfs/dbraw/zinc/31/49/38/628314938.db2.gz GEMHFDXDFZXRKM-CQSZACIVSA-N 1 2 278.783 3.079 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(C)cc(Br)c1O ZINC000781895582 628602955 /nfs/dbraw/zinc/60/29/55/628602955.db2.gz CFKBPKPKPJZKHZ-UHFFFAOYSA-N 1 2 297.196 3.199 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(C)cc(Br)c1O ZINC000781895582 628602958 /nfs/dbraw/zinc/60/29/58/628602958.db2.gz CFKBPKPKPJZKHZ-UHFFFAOYSA-N 1 2 297.196 3.199 20 30 CGEDLO Cc1cc(CO[NH+]=C(N)Cc2cccs2)ccc1C#N ZINC000783022288 628672868 /nfs/dbraw/zinc/67/28/68/628672868.db2.gz CMPZFFTYWIBXFP-UHFFFAOYSA-N 1 2 285.372 3.169 20 30 CGEDLO Cc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000783839299 628750007 /nfs/dbraw/zinc/75/00/07/628750007.db2.gz GJQGQBQLHZVKTO-UHFFFAOYSA-N 1 2 283.360 3.083 20 30 CGEDLO N#CCc1ccc(CO[NH+]=C(N)Cc2cccs2)cc1 ZINC000784051992 628772551 /nfs/dbraw/zinc/77/25/51/628772551.db2.gz CPLSGSZRBDUZJE-UHFFFAOYSA-N 1 2 285.372 3.055 20 30 CGEDLO Cn1cc[nH+]c1NN=C(CC(F)(F)F)c1ccccc1 ZINC000790299672 629200983 /nfs/dbraw/zinc/20/09/83/629200983.db2.gz GVVRIROGBVHRLM-UHFFFAOYSA-N 1 2 282.269 3.189 20 30 CGEDLO CCCCCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000875765601 634730946 /nfs/dbraw/zinc/73/09/46/634730946.db2.gz SWTZWQPAMVQACA-HNNXBMFYSA-N 1 2 292.427 3.200 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000793254618 629435948 /nfs/dbraw/zinc/43/59/48/629435948.db2.gz LQXLHVMDDUBBMK-SNVBAGLBSA-N 1 2 268.307 3.111 20 30 CGEDLO C=CCNN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000794998585 629617636 /nfs/dbraw/zinc/61/76/36/629617636.db2.gz NJSCIPVWLNCECX-UHFFFAOYSA-N 1 2 295.789 3.207 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1COC(=O)NCCCC ZINC000796157131 629749814 /nfs/dbraw/zinc/74/98/14/629749814.db2.gz FAWBUWXTADQTOG-CYBMUJFWSA-N 1 2 288.819 3.120 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1COC(=O)NCCCC ZINC000796157131 629749819 /nfs/dbraw/zinc/74/98/19/629749819.db2.gz FAWBUWXTADQTOG-CYBMUJFWSA-N 1 2 288.819 3.120 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OCC)n1 ZINC000796631111 629807535 /nfs/dbraw/zinc/80/75/35/629807535.db2.gz CQDKIOQCWFNOEL-UHFFFAOYSA-N 1 2 280.371 3.116 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OCC)n1 ZINC000796631111 629807536 /nfs/dbraw/zinc/80/75/36/629807536.db2.gz CQDKIOQCWFNOEL-UHFFFAOYSA-N 1 2 280.371 3.116 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CCC12CCOCC2 ZINC000864349399 629817326 /nfs/dbraw/zinc/81/73/26/629817326.db2.gz WYBGFKPJQHQZRK-RQNDZEIBSA-N 1 2 259.349 3.018 20 30 CGEDLO CC(C)C(C/[NH+]=C\c1ccc(O)c(O)c1O)C(C)C ZINC000797397546 629941468 /nfs/dbraw/zinc/94/14/68/629941468.db2.gz FAUMEGXTHLXCBM-APSNUPSMSA-N 1 2 265.353 3.151 20 30 CGEDLO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(F)cc(F)c1O ZINC000797587520 629964795 /nfs/dbraw/zinc/96/47/95/629964795.db2.gz UZNWKALWNZXKFV-SECBINFHSA-N 1 2 266.291 3.015 20 30 CGEDLO CC(C)(C)c1cn(Cc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000865375973 630086867 /nfs/dbraw/zinc/08/68/67/630086867.db2.gz SUVRMLVQFVVTEA-UHFFFAOYSA-N 1 2 257.312 3.240 20 30 CGEDLO CC(C)(C)c1cn(Cc2cccc(C#N)c2F)c[nH+]1 ZINC000865376414 630087480 /nfs/dbraw/zinc/08/74/80/630087480.db2.gz MJNRKBMSWNVBHX-UHFFFAOYSA-N 1 2 257.312 3.240 20 30 CGEDLO C#CC[N@@H+](Cc1cnn(CCC)c1)Cc1ccc(F)cc1 ZINC000120528250 630102416 /nfs/dbraw/zinc/10/24/16/630102416.db2.gz UCNFAIJAOCVOLE-UHFFFAOYSA-N 1 2 285.366 3.068 20 30 CGEDLO C#CC[N@H+](Cc1cnn(CCC)c1)Cc1ccc(F)cc1 ZINC000120528250 630102425 /nfs/dbraw/zinc/10/24/25/630102425.db2.gz UCNFAIJAOCVOLE-UHFFFAOYSA-N 1 2 285.366 3.068 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000800334902 630266817 /nfs/dbraw/zinc/26/68/17/630266817.db2.gz UGVFCTRQIYDKCR-KRWDZBQOSA-N 1 2 298.386 3.075 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2cccc(Cl)c2F)cn1C ZINC000800811048 630301402 /nfs/dbraw/zinc/30/14/02/630301402.db2.gz FOTQXMPUGLBCLI-UHFFFAOYSA-N 1 2 280.734 3.357 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2cc(Cl)ccc2Cl)cn1 ZINC000807974852 630609983 /nfs/dbraw/zinc/60/99/83/630609983.db2.gz WSVYSOZLYKNSPA-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO C(=[NH+]NCC1CCCC1)c1ccc(N2CCCCC2)o1 ZINC000808006157 630616298 /nfs/dbraw/zinc/61/62/98/630616298.db2.gz RQHKEHFRHKHBJB-UHFFFAOYSA-N 1 2 275.396 3.384 20 30 CGEDLO C#Cc1ccc(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000811509140 631079262 /nfs/dbraw/zinc/07/92/62/631079262.db2.gz KNBASELEOODCMI-UHFFFAOYSA-N 1 2 297.785 3.025 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2F)cc1 ZINC000812458379 631263299 /nfs/dbraw/zinc/26/32/99/631263299.db2.gz AYNGRYVDZSGCFY-UHFFFAOYSA-N 1 2 257.312 3.338 20 30 CGEDLO C#C[C@H](Nc1cc(C)[nH+]c(CC)n1)c1ccc(F)cc1 ZINC000812486537 631267183 /nfs/dbraw/zinc/26/71/83/631267183.db2.gz UYJVOYZWWCRLEG-AWEZNQCLSA-N 1 2 269.323 3.273 20 30 CGEDLO CC(=[NH+]OCc1ccccc1)c1cc([N+](=O)[O-])ccc1N ZINC000814791907 631640927 /nfs/dbraw/zinc/64/09/27/631640927.db2.gz KIRMHUCZAAVOIU-UHFFFAOYSA-N 1 2 285.303 3.118 20 30 CGEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N)nc1 ZINC000814804296 631643430 /nfs/dbraw/zinc/64/34/30/631643430.db2.gz IVUSJOPTAQQZEP-UHFFFAOYSA-N 1 2 277.331 3.048 20 30 CGEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cn1 ZINC000814841930 631654147 /nfs/dbraw/zinc/65/41/47/631654147.db2.gz ZHVCBDFBBMICFB-UHFFFAOYSA-N 1 2 294.333 3.417 20 30 CGEDLO CCC(=[NH+]Nc1ccccc1C(=O)OC)c1cccc(N)c1 ZINC000814894419 631668547 /nfs/dbraw/zinc/66/85/47/631668547.db2.gz MEQKAHNEJZTISO-UHFFFAOYSA-N 1 2 297.358 3.282 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccnc(Br)c1 ZINC000815104978 631717663 /nfs/dbraw/zinc/71/76/63/631717663.db2.gz ZPEFZAPDOVXSCN-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccnc(Br)c1 ZINC000815104978 631717666 /nfs/dbraw/zinc/71/76/66/631717666.db2.gz ZPEFZAPDOVXSCN-GFCCVEGCSA-N 1 2 281.197 3.385 20 30 CGEDLO COCc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866224235 633035421 /nfs/dbraw/zinc/03/54/21/633035421.db2.gz XZCXVNPQEBDTLC-CYBMUJFWSA-N 1 2 296.370 3.261 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(C#N)c1O ZINC000866259205 633047403 /nfs/dbraw/zinc/04/74/03/633047403.db2.gz JOKSLKXHSQSATF-WFASDCNBSA-N 1 2 278.355 3.254 20 30 CGEDLO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866273453 633057415 /nfs/dbraw/zinc/05/74/15/633057415.db2.gz MQCWAGHYZWOJHN-RYUDHWBXSA-N 1 2 276.380 3.118 20 30 CGEDLO C[C@H]([NH2+]CCCC(F)(F)F)c1cccc(C#N)c1O ZINC000866275841 633059965 /nfs/dbraw/zinc/05/99/65/633059965.db2.gz IFVNIUFKYZMXKL-VIFPVBQESA-N 1 2 272.270 3.257 20 30 CGEDLO CCO[C@@H](CC[NH2+][C@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866278411 633062939 /nfs/dbraw/zinc/06/29/39/633062939.db2.gz ZDRBYZQBTHEEOG-CJNGLKHVSA-N 1 2 290.407 3.366 20 30 CGEDLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866288840 633066899 /nfs/dbraw/zinc/06/68/99/633066899.db2.gz PHXAYBXOFMYUJI-STQMWFEESA-N 1 2 281.359 3.379 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1O ZINC000866307213 633074597 /nfs/dbraw/zinc/07/45/97/633074597.db2.gz USSHOJZSDXLMIH-GXTWGEPZSA-N 1 2 286.375 3.016 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866324660 633081882 /nfs/dbraw/zinc/08/18/82/633081882.db2.gz UQXKAVIEHRLILS-MWLCHTKSSA-N 1 2 266.291 3.102 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866351936 633094882 /nfs/dbraw/zinc/09/48/82/633094882.db2.gz TZHNYRSJGBLPPL-GHMZBOCLSA-N 1 2 280.318 3.350 20 30 CGEDLO Cc1cccc(CCC[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866359661 633099984 /nfs/dbraw/zinc/09/99/84/633099984.db2.gz UYSMTZJRLIMPDA-CQSZACIVSA-N 1 2 295.386 3.251 20 30 CGEDLO C=CCCSCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866386580 633116229 /nfs/dbraw/zinc/11/62/29/633116229.db2.gz HITJHNNSEBAGPY-GFCCVEGCSA-N 1 2 276.405 3.224 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000866393059 633120599 /nfs/dbraw/zinc/12/05/99/633120599.db2.gz LGTTYJUPOBVCNE-JOYOIKCWSA-N 1 2 280.318 3.206 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(F)F ZINC000824509299 633251399 /nfs/dbraw/zinc/25/13/99/633251399.db2.gz KRXGVLHIIWVTIB-MFKMUULPSA-N 1 2 268.307 3.111 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000827873644 633528721 /nfs/dbraw/zinc/52/87/21/633528721.db2.gz YSMWVIZFMOFXKC-UHFFFAOYSA-N 1 2 258.365 3.261 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000827873644 633528751 /nfs/dbraw/zinc/52/87/51/633528751.db2.gz YSMWVIZFMOFXKC-UHFFFAOYSA-N 1 2 258.365 3.261 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](CC3=CCCC3)CCO2)c1 ZINC000828118305 633567535 /nfs/dbraw/zinc/56/75/35/633567535.db2.gz LJTDSEIHLWMHIA-KRWDZBQOSA-N 1 2 268.360 3.042 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](CC3=CCCC3)CCO2)c1 ZINC000828118305 633567540 /nfs/dbraw/zinc/56/75/40/633567540.db2.gz LJTDSEIHLWMHIA-KRWDZBQOSA-N 1 2 268.360 3.042 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cs1 ZINC000834447077 634169728 /nfs/dbraw/zinc/16/97/28/634169728.db2.gz HOKNKHLAAVWHSB-SNAWJCMRSA-N 1 2 292.429 3.471 20 30 CGEDLO FC(F)(F)c1csc(N[NH2+]C=C2CC2(F)F)n1 ZINC000834965338 634296020 /nfs/dbraw/zinc/29/60/20/634296020.db2.gz ZGYVQLCXSYBVOQ-SCSAIBSYSA-N 1 2 271.214 3.215 20 30 CGEDLO CC1(C[N@H+](CCC#N)Cc2ccccn2)CCCC1 ZINC000876691955 634881817 /nfs/dbraw/zinc/88/18/17/634881817.db2.gz VGHHYQBFBDXPRA-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO CC1(C[N@@H+](CCC#N)Cc2ccccn2)CCCC1 ZINC000876691955 634881819 /nfs/dbraw/zinc/88/18/19/634881819.db2.gz VGHHYQBFBDXPRA-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO CC(C)(C)C#CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000837378230 634899547 /nfs/dbraw/zinc/89/95/47/634899547.db2.gz AAFLLTPXPYPMML-UHFFFAOYSA-N 1 2 267.332 3.065 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000876792048 634900771 /nfs/dbraw/zinc/90/07/71/634900771.db2.gz QCBNPQXCNCWUGN-GFCCVEGCSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000876792048 634900777 /nfs/dbraw/zinc/90/07/77/634900777.db2.gz QCBNPQXCNCWUGN-GFCCVEGCSA-N 1 2 283.350 3.498 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000876866017 634916903 /nfs/dbraw/zinc/91/69/03/634916903.db2.gz MESQZEHMNIPOPA-GJZGRUSLSA-N 1 2 287.407 3.263 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000877513909 635066114 /nfs/dbraw/zinc/06/61/14/635066114.db2.gz CLAJBCALJFFFFF-UHFFFAOYSA-N 1 2 299.761 3.489 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000877513909 635066116 /nfs/dbraw/zinc/06/61/16/635066116.db2.gz CLAJBCALJFFFFF-UHFFFAOYSA-N 1 2 299.761 3.489 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(C#N)cnc2Cl)[C@@H]1C1CC1 ZINC000877539002 635078142 /nfs/dbraw/zinc/07/81/42/635078142.db2.gz IQZOTOYKDNFXLT-CYBMUJFWSA-N 1 2 275.783 3.227 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@@H]1C1CC1 ZINC000877539002 635078145 /nfs/dbraw/zinc/07/81/45/635078145.db2.gz IQZOTOYKDNFXLT-CYBMUJFWSA-N 1 2 275.783 3.227 20 30 CGEDLO C[C@H]1C[NH+](Cc2cc(C#N)cnc2Cl)C[C@H](C)C1(F)F ZINC000877650690 635131951 /nfs/dbraw/zinc/13/19/51/635131951.db2.gz UASLQUDRRZBNMS-UWVGGRQHSA-N 1 2 299.752 3.330 20 30 CGEDLO C=CCCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000842047718 635265225 /nfs/dbraw/zinc/26/52/25/635265225.db2.gz SDDPPINJFOUFHM-UHFFFAOYSA-N 1 2 250.317 3.223 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncccc1Br ZINC000878524440 635541453 /nfs/dbraw/zinc/54/14/53/635541453.db2.gz PFVCDBSNFARUDJ-NSHDSACASA-N 1 2 281.197 3.385 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncccc1Br ZINC000878524440 635541460 /nfs/dbraw/zinc/54/14/60/635541460.db2.gz PFVCDBSNFARUDJ-NSHDSACASA-N 1 2 281.197 3.385 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843423972 635668063 /nfs/dbraw/zinc/66/80/63/635668063.db2.gz NBDIGEDDYNFCOD-LBPRGKRZSA-N 1 2 263.768 3.281 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843423972 635668067 /nfs/dbraw/zinc/66/80/67/635668067.db2.gz NBDIGEDDYNFCOD-LBPRGKRZSA-N 1 2 263.768 3.281 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844129937 635826660 /nfs/dbraw/zinc/82/66/60/635826660.db2.gz ASCCFNUUMVDDKM-OAHLLOKOSA-N 1 2 291.439 3.312 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880066637 635908021 /nfs/dbraw/zinc/90/80/21/635908021.db2.gz HZSWYEVPEVCCNN-UKRRQHHQSA-N 1 2 297.320 3.080 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H](C(F)(F)F)O1 ZINC000880066637 635908023 /nfs/dbraw/zinc/90/80/23/635908023.db2.gz HZSWYEVPEVCCNN-UKRRQHHQSA-N 1 2 297.320 3.080 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112897 636145794 /nfs/dbraw/zinc/14/57/94/636145794.db2.gz UMNNUJNVJVESSC-TXEJJXNPSA-N 1 2 297.732 3.049 20 30 CGEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112897 636145797 /nfs/dbraw/zinc/14/57/97/636145797.db2.gz UMNNUJNVJVESSC-TXEJJXNPSA-N 1 2 297.732 3.049 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846844349 636258676 /nfs/dbraw/zinc/25/86/76/636258676.db2.gz BLUURHOVENZBHG-CQSZACIVSA-N 1 2 259.378 3.335 20 30 CGEDLO C=CCCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872297 636441945 /nfs/dbraw/zinc/44/19/45/636441945.db2.gz BMVOHZWIPCKGCY-INIZCTEOSA-N 1 2 283.375 3.097 20 30 CGEDLO CC[C@@H]1CC[C@H](C)CC1=NNCCCn1cc[nH+]c1 ZINC000848417440 636572905 /nfs/dbraw/zinc/57/29/05/636572905.db2.gz ZPGZLQRKDKBYHP-UONOGXRCSA-N 1 2 262.401 3.065 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134233084 637008592 /nfs/dbraw/zinc/00/85/92/637008592.db2.gz FXWKBKACZCIFBM-RISCZKNCSA-N 1 2 296.208 3.219 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134233084 637008596 /nfs/dbraw/zinc/00/85/96/637008596.db2.gz FXWKBKACZCIFBM-RISCZKNCSA-N 1 2 296.208 3.219 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000852103875 637597191 /nfs/dbraw/zinc/59/71/91/637597191.db2.gz UJQHAAOHQJPVHO-MLGOLLRUSA-N 1 2 269.348 3.189 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328810 637637131 /nfs/dbraw/zinc/63/71/31/637637131.db2.gz NLFGKARUMOYOLO-MAUKXSAKSA-N 1 2 292.386 3.095 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328810 637637138 /nfs/dbraw/zinc/63/71/38/637637138.db2.gz NLFGKARUMOYOLO-MAUKXSAKSA-N 1 2 292.386 3.095 20 30 CGEDLO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000886719839 637671196 /nfs/dbraw/zinc/67/11/96/637671196.db2.gz JHGVKYOQMUNWOC-GXTWGEPZSA-N 1 2 288.391 3.120 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)C[C@H]1CCOC1 ZINC000853446866 637845632 /nfs/dbraw/zinc/84/56/32/637845632.db2.gz PVPHBFRYGMFCEF-LSDHHAIUSA-N 1 2 288.391 3.101 20 30 CGEDLO CC[C@H](CO[NH+]=C(N)c1ccc(F)cc1)CC(F)F ZINC000853645572 637880490 /nfs/dbraw/zinc/88/04/90/637880490.db2.gz AXOWLODVVBFFSL-VIFPVBQESA-N 1 2 274.286 3.144 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000853689749 637892321 /nfs/dbraw/zinc/89/23/21/637892321.db2.gz LPVZFYPIVYYVMS-KFWWJZLASA-N 1 2 288.391 3.099 20 30 CGEDLO CC[C@H]([NH2+]Cc1ncc(C)s1)c1cccc(C#N)c1O ZINC000925154718 638463631 /nfs/dbraw/zinc/46/36/31/638463631.db2.gz ZMEWRZKEUKZOKZ-ZDUSSCGKSA-N 1 2 287.388 3.270 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000857878366 638592877 /nfs/dbraw/zinc/59/28/77/638592877.db2.gz YULUCBYTWYBUKJ-UHFFFAOYSA-N 1 2 291.398 3.140 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000857878366 638592880 /nfs/dbraw/zinc/59/28/80/638592880.db2.gz YULUCBYTWYBUKJ-UHFFFAOYSA-N 1 2 291.398 3.140 20 30 CGEDLO CCCCCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857991043 638614167 /nfs/dbraw/zinc/61/41/67/638614167.db2.gz ZAQIOVDGMHSNKE-ZDUSSCGKSA-N 1 2 263.385 3.195 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000925928862 638657589 /nfs/dbraw/zinc/65/75/89/638657589.db2.gz FVXHANPERPQTGC-AAEUAGOBSA-N 1 2 280.318 3.492 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(C#N)c1O ZINC000926222760 638745238 /nfs/dbraw/zinc/74/52/38/638745238.db2.gz UDRAIFMZKIGXIS-UKRRQHHQSA-N 1 2 288.391 3.262 20 30 CGEDLO CC[C@@H]([NH2+]CCC(C)(F)F)c1cccc(C#N)c1O ZINC000926495873 638777810 /nfs/dbraw/zinc/77/78/10/638777810.db2.gz WTNWCIJPHADHJV-GFCCVEGCSA-N 1 2 268.307 3.350 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ncco1 ZINC000926602732 638790618 /nfs/dbraw/zinc/79/06/18/638790618.db2.gz NVOKTXFZSFGHFK-XHDPSFHLSA-N 1 2 267.332 3.274 20 30 CGEDLO CC[C@@H]([NH2+][C@H](CO)C[C@@H](C)CC)c1cccc(C#N)c1O ZINC000926634575 638792891 /nfs/dbraw/zinc/79/28/91/638792891.db2.gz JUFCVJYVDYQNNO-DUVNUKRYSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@H]([NH2+]CCc1cnccc1C)c1cccc(C#N)c1O ZINC000926690021 638799273 /nfs/dbraw/zinc/79/92/73/638799273.db2.gz PPRBIGJSYZPROP-KRWDZBQOSA-N 1 2 295.386 3.251 20 30 CGEDLO Cc1noc(C)c1[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000926710035 638802205 /nfs/dbraw/zinc/80/22/05/638802205.db2.gz HSGQMBJHTZMMDO-LLVKDONJSA-N 1 2 261.369 3.416 20 30 CGEDLO COc1ccnc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000926712829 638802573 /nfs/dbraw/zinc/80/25/73/638802573.db2.gz NMJKTZQRBSYRHR-ZDUSSCGKSA-N 1 2 273.380 3.215 20 30 CGEDLO C[C@@H]([NH2+]CCC1CC=CC1)c1cccc(C#N)c1O ZINC000926951432 638828642 /nfs/dbraw/zinc/82/86/42/638828642.db2.gz ZVYDDMJVYPAKOD-GFCCVEGCSA-N 1 2 256.349 3.271 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929473861 638927094 /nfs/dbraw/zinc/92/70/94/638927094.db2.gz GMEREEBYOTZUNH-IACUBPJLSA-N 1 2 264.319 3.127 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929473861 638927095 /nfs/dbraw/zinc/92/70/95/638927095.db2.gz GMEREEBYOTZUNH-IACUBPJLSA-N 1 2 264.319 3.127 20 30 CGEDLO C=C[C@@H](CC)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000930024231 638969372 /nfs/dbraw/zinc/96/93/72/638969372.db2.gz PHFXTPWDAKSTGA-ZDUSSCGKSA-N 1 2 269.348 3.413 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(OC)s1)c1ccccc1 ZINC000930230813 638984968 /nfs/dbraw/zinc/98/49/68/638984968.db2.gz YECKSIJFRMQBIN-CYBMUJFWSA-N 1 2 289.404 3.344 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000930470750 639005187 /nfs/dbraw/zinc/00/51/87/639005187.db2.gz YXIWQBCNFOFCPD-AWEZNQCLSA-N 1 2 294.345 3.031 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000930470750 639005190 /nfs/dbraw/zinc/00/51/90/639005190.db2.gz YXIWQBCNFOFCPD-AWEZNQCLSA-N 1 2 294.345 3.031 20 30 CGEDLO C#CC[C@H](COC)Nc1c(C)c[nH+]c2c(OC)cccc12 ZINC000858860026 639031698 /nfs/dbraw/zinc/03/16/98/639031698.db2.gz DUOVFYJDLWMNRZ-CYBMUJFWSA-N 1 2 284.359 3.002 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000932158339 639279423 /nfs/dbraw/zinc/27/94/23/639279423.db2.gz DGSZTHGHMWVBDF-GFCCVEGCSA-N 1 2 266.291 3.024 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000932158339 639279428 /nfs/dbraw/zinc/27/94/28/639279428.db2.gz DGSZTHGHMWVBDF-GFCCVEGCSA-N 1 2 266.291 3.024 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccnc1Cl)C2 ZINC000860106474 639283205 /nfs/dbraw/zinc/28/32/05/639283205.db2.gz KVOQQVCYVSIWGH-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccnc1Cl)C2 ZINC000860106474 639283208 /nfs/dbraw/zinc/28/32/08/639283208.db2.gz KVOQQVCYVSIWGH-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO Clc1cccc(C#CC[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000932352502 639319549 /nfs/dbraw/zinc/31/95/49/639319549.db2.gz ALEOARNDGOHGKV-INIZCTEOSA-N 1 2 297.789 3.222 20 30 CGEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)nc1 ZINC000934343214 639591410 /nfs/dbraw/zinc/59/14/10/639591410.db2.gz IFIAQFCUQQLSTQ-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)nc1 ZINC000934343214 639591418 /nfs/dbraw/zinc/59/14/18/639591418.db2.gz IFIAQFCUQQLSTQ-GOSISDBHSA-N 1 2 293.370 3.299 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935250896 639774391 /nfs/dbraw/zinc/77/43/91/639774391.db2.gz JZDKPYPBBPCCHB-LLVKDONJSA-N 1 2 257.337 3.038 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(F)nc1 ZINC000189330309 640186847 /nfs/dbraw/zinc/18/68/47/640186847.db2.gz UAZXOVRZWNZVBP-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(F)nc1 ZINC000189330309 640186849 /nfs/dbraw/zinc/18/68/49/640186849.db2.gz UAZXOVRZWNZVBP-UHFFFAOYSA-N 1 2 263.360 3.373 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1c2c(sc1=O)C[C@@H](CC)CC2 ZINC000076664488 640208763 /nfs/dbraw/zinc/20/87/63/640208763.db2.gz ZUAPGCSDDYSDSA-ZDUSSCGKSA-N 1 2 294.464 3.280 20 30 CGEDLO C=CCCC[N@H+](C)Cn1c2c(sc1=O)C[C@@H](CC)CC2 ZINC000076664488 640208768 /nfs/dbraw/zinc/20/87/68/640208768.db2.gz ZUAPGCSDDYSDSA-ZDUSSCGKSA-N 1 2 294.464 3.280 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC000950898523 640364872 /nfs/dbraw/zinc/36/48/72/640364872.db2.gz QLHVCPBXDSLITQ-UHFFFAOYSA-N 1 2 290.451 3.066 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CC1CCOCC1 ZINC000194613591 640544458 /nfs/dbraw/zinc/54/44/58/640544458.db2.gz XLUSCXSDDHXOSN-LDADJPATSA-N 1 2 269.344 3.391 20 30 CGEDLO CC1(C)CCC[N@H+](CCCCCn2cccn2)[C@H]1C#N ZINC000277836967 641030258 /nfs/dbraw/zinc/03/02/58/641030258.db2.gz RWOITDBSFDXUFA-HNNXBMFYSA-N 1 2 274.412 3.068 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCCCn2cccn2)[C@H]1C#N ZINC000277836967 641030263 /nfs/dbraw/zinc/03/02/63/641030263.db2.gz RWOITDBSFDXUFA-HNNXBMFYSA-N 1 2 274.412 3.068 20 30 CGEDLO COc1ccc(CCCNc2cc(CC#N)cc[nH+]2)cc1 ZINC001156168991 805661994 /nfs/dbraw/zinc/66/19/94/805661994.db2.gz ORJRDRPXQUBLMQ-UHFFFAOYSA-N 1 2 281.359 3.201 20 30 CGEDLO COc1cc2[nH+]c(Cc3ccc(C#N)cc3)[nH]c2cc1C ZINC001250587281 805710163 /nfs/dbraw/zinc/71/01/63/805710163.db2.gz DRWSURKEEOJGPB-UHFFFAOYSA-N 1 2 277.327 3.342 20 30 CGEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N[C@H]1CC[C@H](C#N)CC1 ZINC001157055256 805770321 /nfs/dbraw/zinc/77/03/21/805770321.db2.gz FTFZOZWXIJJEEM-KCFIYILUSA-N 1 2 299.374 3.071 20 30 CGEDLO C=CC[C@@](C)([NH2+]C[C@H](O)CCCCCCCC)C(=O)OC ZINC001252141757 806025378 /nfs/dbraw/zinc/02/53/78/806025378.db2.gz OLXDUDVDJYOSRW-NVXWUHKLSA-N 1 2 299.455 3.195 20 30 CGEDLO COc1cc2ccc(NCC(C)(C)S)[nH+]c2cc1OC ZINC001159267780 806069944 /nfs/dbraw/zinc/06/99/44/806069944.db2.gz FFRBHNMUZNZJJG-UHFFFAOYSA-N 1 2 292.404 3.372 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001253233573 806187449 /nfs/dbraw/zinc/18/74/49/806187449.db2.gz IMKUNQDRAAXOFM-GDBMZVCRSA-N 1 2 292.423 3.434 20 30 CGEDLO N#Cc1cccc2c1CC[C@H]2Nc1ccc(Cl)c(N)[nH+]1 ZINC001159918879 806197980 /nfs/dbraw/zinc/19/79/80/806197980.db2.gz JFOIAHUNSJYADO-CYBMUJFWSA-N 1 2 284.750 3.288 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254613109 806461460 /nfs/dbraw/zinc/46/14/60/806461460.db2.gz YMXQLYMNUCVINH-KRWDZBQOSA-N 1 2 289.398 3.322 20 30 CGEDLO CCCC[C@](CC)([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OCC ZINC001254645204 806470194 /nfs/dbraw/zinc/47/01/94/806470194.db2.gz AWSNVGMNTWPTOG-FMKPAKJESA-N 1 2 280.412 3.170 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@H](C)c1nnc2ccccn21 ZINC001162177595 806522460 /nfs/dbraw/zinc/52/24/60/806522460.db2.gz ARDHESYOEORUDC-CYBMUJFWSA-N 1 2 293.374 3.334 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001255156777 806558844 /nfs/dbraw/zinc/55/88/44/806558844.db2.gz NMOSANMSDXVCSS-OLZOCXBDSA-N 1 2 287.190 3.309 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001255165641 806563050 /nfs/dbraw/zinc/56/30/50/806563050.db2.gz ZNLGFGSNRSJGIP-DGCLKSJQSA-N 1 2 264.756 3.445 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(F)c1OC ZINC001255164967 806563177 /nfs/dbraw/zinc/56/31/77/806563177.db2.gz RDGKFSDSKQLGHL-MNOVXSKESA-N 1 2 250.317 3.177 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255173281 806566012 /nfs/dbraw/zinc/56/60/12/806566012.db2.gz KHYGQYWDIMYQFL-MELADBBJSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255173281 806566015 /nfs/dbraw/zinc/56/60/15/806566015.db2.gz KHYGQYWDIMYQFL-MELADBBJSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001255174215 806568583 /nfs/dbraw/zinc/56/85/83/806568583.db2.gz UHTOKBSGZVENDH-GOEBONIOSA-N 1 2 290.432 3.477 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001255174215 806568590 /nfs/dbraw/zinc/56/85/90/806568590.db2.gz UHTOKBSGZVENDH-GOEBONIOSA-N 1 2 290.432 3.477 20 30 CGEDLO CCOC(=O)C1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001255256976 806585070 /nfs/dbraw/zinc/58/50/70/806585070.db2.gz QATOTLDGRHSCSO-XUJLQICISA-N 1 2 280.412 3.026 20 30 CGEDLO C#CCCC1(CCNc2cc(C)[nH+]c(C3CC3)n2)N=N1 ZINC001163380522 806754902 /nfs/dbraw/zinc/75/49/02/806754902.db2.gz CULOYFKBELUQFC-UHFFFAOYSA-N 1 2 269.352 3.040 20 30 CGEDLO C=CCCSCC[NH2+]Cc1cccc(Cl)c1O ZINC000696090835 799837457 /nfs/dbraw/zinc/83/74/57/799837457.db2.gz OFYUWFYJSAJQES-UHFFFAOYSA-N 1 2 271.813 3.445 20 30 CGEDLO N#CCCCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000707986044 799981564 /nfs/dbraw/zinc/98/15/64/799981564.db2.gz QUPRCLPNRNNTKL-UHFFFAOYSA-N 1 2 279.181 3.459 20 30 CGEDLO N#CCCCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000707986044 799981572 /nfs/dbraw/zinc/98/15/72/799981572.db2.gz QUPRCLPNRNNTKL-UHFFFAOYSA-N 1 2 279.181 3.459 20 30 CGEDLO Cl/C=C/CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000811669110 800447565 /nfs/dbraw/zinc/44/75/65/800447565.db2.gz MIKIPIKOTIJRID-MOWUIJEESA-N 1 2 267.741 3.037 20 30 CGEDLO COc1cccc(/C=[NH+]/CCCC2CCOCC2)c1O ZINC000840707150 800498171 /nfs/dbraw/zinc/49/81/71/800498171.db2.gz NUPORZCZOSMVMK-SFQUDFHCSA-N 1 2 277.364 3.027 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC[C@H]3Cc4ccccc4O3)c2)CC1 ZINC001163861950 806839148 /nfs/dbraw/zinc/83/91/48/806839148.db2.gz NIXLWAQVGLANIA-OAHLLOKOSA-N 1 2 291.354 3.052 20 30 CGEDLO C=CCC[NH+]1CC(NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001031268210 800906516 /nfs/dbraw/zinc/90/65/16/800906516.db2.gz IHQCEVXSTMTDFN-UHFFFAOYSA-N 1 2 298.386 3.040 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635146 801319216 /nfs/dbraw/zinc/31/92/16/801319216.db2.gz PSDQGEMQVVSZDO-FMKPAKJESA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635146 801319224 /nfs/dbraw/zinc/31/92/24/801319224.db2.gz PSDQGEMQVVSZDO-FMKPAKJESA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071313269 801527022 /nfs/dbraw/zinc/52/70/22/801527022.db2.gz XCTCXUNNKVZBPE-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071313269 801527024 /nfs/dbraw/zinc/52/70/24/801527024.db2.gz XCTCXUNNKVZBPE-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501877 801541649 /nfs/dbraw/zinc/54/16/49/801541649.db2.gz VXFSOFZFRVKOED-SWLSCSKDSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501877 801541654 /nfs/dbraw/zinc/54/16/54/801541654.db2.gz VXFSOFZFRVKOED-SWLSCSKDSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071798551 801552281 /nfs/dbraw/zinc/55/22/81/801552281.db2.gz AAJFKSCCUWRMDO-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071798551 801552291 /nfs/dbraw/zinc/55/22/91/801552291.db2.gz AAJFKSCCUWRMDO-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001109590954 802117322 /nfs/dbraw/zinc/11/73/22/802117322.db2.gz JMQOXWIGZUXLRN-RDBSUJKOSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001109590954 802117327 /nfs/dbraw/zinc/11/73/27/802117327.db2.gz JMQOXWIGZUXLRN-RDBSUJKOSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001112899173 802196047 /nfs/dbraw/zinc/19/60/47/802196047.db2.gz QJCRKYWEEMCJGK-TWGQIWQCSA-N 1 2 298.430 3.200 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001113372722 802216133 /nfs/dbraw/zinc/21/61/33/802216133.db2.gz NNIQSGUZKZTLFX-INIZCTEOSA-N 1 2 278.440 3.089 20 30 CGEDLO Cc1c(Cl)c(C#N)ccc1Nc1ccc(N)[nH+]c1 ZINC001201292333 811808302 /nfs/dbraw/zinc/80/83/02/811808302.db2.gz VNWLMPLCMPKQFR-UHFFFAOYSA-N 1 2 258.712 3.241 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132257098 803388886 /nfs/dbraw/zinc/38/88/86/803388886.db2.gz TYXJZQQXLYSISR-UONOGXRCSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132257098 803388891 /nfs/dbraw/zinc/38/88/91/803388891.db2.gz TYXJZQQXLYSISR-UONOGXRCSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132257094 803389344 /nfs/dbraw/zinc/38/93/44/803389344.db2.gz TYXJZQQXLYSISR-KBPBESRZSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132257094 803389348 /nfs/dbraw/zinc/38/93/48/803389348.db2.gz TYXJZQQXLYSISR-KBPBESRZSA-N 1 2 284.831 3.064 20 30 CGEDLO CNc1cc(-c2cccc3[nH]cc(CC#N)c32)cc[nH+]1 ZINC001244975187 803599412 /nfs/dbraw/zinc/59/94/12/803599412.db2.gz CZTNLYDZOQBQLR-UHFFFAOYSA-N 1 2 262.316 3.338 20 30 CGEDLO CNc1cc(-c2cc(F)c(F)c(/C=N/OC)c2)cc[nH+]1 ZINC001244976482 803600497 /nfs/dbraw/zinc/60/04/97/803600497.db2.gz KJMMNLDKMLQGJY-UFWORHAWSA-N 1 2 277.274 3.049 20 30 CGEDLO Cc1c(C[N@@H+]2CC[C@@](C)(C#N)C2)[nH]c2ccc(F)cc12 ZINC001138414636 803924008 /nfs/dbraw/zinc/92/40/08/803924008.db2.gz KDEPVFIWESVIMP-INIZCTEOSA-N 1 2 271.339 3.351 20 30 CGEDLO Cc1c(C[N@H+]2CC[C@@](C)(C#N)C2)[nH]c2ccc(F)cc12 ZINC001138414636 803924014 /nfs/dbraw/zinc/92/40/14/803924014.db2.gz KDEPVFIWESVIMP-INIZCTEOSA-N 1 2 271.339 3.351 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2[nH]c(CCCC)nc2Cl)C1 ZINC001139179037 804149651 /nfs/dbraw/zinc/14/96/51/804149651.db2.gz CATICTGFECJDDW-GFCCVEGCSA-N 1 2 279.815 3.251 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2[nH]c(CCCC)nc2Cl)C1 ZINC001139179037 804149654 /nfs/dbraw/zinc/14/96/54/804149654.db2.gz CATICTGFECJDDW-GFCCVEGCSA-N 1 2 279.815 3.251 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cnc2Cl)C1 ZINC001139359677 804183719 /nfs/dbraw/zinc/18/37/19/804183719.db2.gz WLQXCRAVLMTUCK-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cnc2Cl)C1 ZINC001139359677 804183722 /nfs/dbraw/zinc/18/37/22/804183722.db2.gz WLQXCRAVLMTUCK-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCC(C)C)cc2)cc[nH+]1 ZINC001212284035 815001652 /nfs/dbraw/zinc/00/16/52/815001652.db2.gz WKIYRTXXFVZCCZ-UHFFFAOYSA-N 1 2 266.344 3.263 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1c(C)nc2cc(C)ccn21 ZINC001139680593 804249703 /nfs/dbraw/zinc/24/97/03/804249703.db2.gz JHHLTVCZGXNOJM-UHFFFAOYSA-N 1 2 270.380 3.077 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1c(C)nc2cc(C)ccn21 ZINC001139680593 804249712 /nfs/dbraw/zinc/24/97/12/804249712.db2.gz JHHLTVCZGXNOJM-UHFFFAOYSA-N 1 2 270.380 3.077 20 30 CGEDLO N#Cc1cccc2c(C[N@@H+]3CCC(F)(F)[C@@H](F)C3)c[nH]c21 ZINC001139701431 804257848 /nfs/dbraw/zinc/25/78/48/804257848.db2.gz HRRRONWYVDFRGJ-ZDUSSCGKSA-N 1 2 293.292 3.219 20 30 CGEDLO N#Cc1cccc2c(C[N@H+]3CCC(F)(F)[C@@H](F)C3)c[nH]c21 ZINC001139701431 804257855 /nfs/dbraw/zinc/25/78/55/804257855.db2.gz HRRRONWYVDFRGJ-ZDUSSCGKSA-N 1 2 293.292 3.219 20 30 CGEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706212 804259785 /nfs/dbraw/zinc/25/97/85/804259785.db2.gz OPWNIHNUMSUBKR-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139706212 804259791 /nfs/dbraw/zinc/25/97/91/804259791.db2.gz OPWNIHNUMSUBKR-ZDUSSCGKSA-N 1 2 290.370 3.418 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1C#N ZINC001139722795 804268058 /nfs/dbraw/zinc/26/80/58/804268058.db2.gz GLIDKYRSVHNXQX-GJZGRUSLSA-N 1 2 264.319 3.139 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1C#N ZINC001139722795 804268066 /nfs/dbraw/zinc/26/80/66/804268066.db2.gz GLIDKYRSVHNXQX-GJZGRUSLSA-N 1 2 264.319 3.139 20 30 CGEDLO C=CCn1cc(C[N@@H+](CC)Cc2ccccc2F)cn1 ZINC001139772208 804277884 /nfs/dbraw/zinc/27/78/84/804277884.db2.gz BQGQXWXBGSGMEJ-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO C=CCn1cc(C[N@H+](CC)Cc2ccccc2F)cn1 ZINC001139772208 804277893 /nfs/dbraw/zinc/27/78/93/804277893.db2.gz BQGQXWXBGSGMEJ-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO C=CCn1cc(C[N@@H+](C)Cc2ccccc2Cl)cn1 ZINC001139770171 804278023 /nfs/dbraw/zinc/27/80/23/804278023.db2.gz GCCSWLPZKREDTB-UHFFFAOYSA-N 1 2 275.783 3.355 20 30 CGEDLO C=CCn1cc(C[N@H+](C)Cc2ccccc2Cl)cn1 ZINC001139770171 804278031 /nfs/dbraw/zinc/27/80/31/804278031.db2.gz GCCSWLPZKREDTB-UHFFFAOYSA-N 1 2 275.783 3.355 20 30 CGEDLO Cc1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001139823546 804291622 /nfs/dbraw/zinc/29/16/22/804291622.db2.gz QQABCPZVGMEUMG-CYBMUJFWSA-N 1 2 283.400 3.464 20 30 CGEDLO Cc1nc(-c2ccccc2)sc1C[N@H+]1CC[C@H](C#N)C1 ZINC001139823546 804291624 /nfs/dbraw/zinc/29/16/24/804291624.db2.gz QQABCPZVGMEUMG-CYBMUJFWSA-N 1 2 283.400 3.464 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC001139876111 804307181 /nfs/dbraw/zinc/30/71/81/804307181.db2.gz LKBHFFUPQRZMGT-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC001139876111 804307191 /nfs/dbraw/zinc/30/71/91/804307191.db2.gz LKBHFFUPQRZMGT-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453693 804439846 /nfs/dbraw/zinc/43/98/46/804439846.db2.gz IMLMAMOOJDCXOW-LBPRGKRZSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccccc2-c2nccs2)C1 ZINC001140453693 804439847 /nfs/dbraw/zinc/43/98/47/804439847.db2.gz IMLMAMOOJDCXOW-LBPRGKRZSA-N 1 2 269.373 3.156 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ncc1F ZINC001140607419 804473330 /nfs/dbraw/zinc/47/33/30/804473330.db2.gz IMLXYPJFRWLGBH-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ncc1F ZINC001140607419 804473334 /nfs/dbraw/zinc/47/33/34/804473334.db2.gz IMLXYPJFRWLGBH-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC001140826758 804530013 /nfs/dbraw/zinc/53/00/13/804530013.db2.gz PWUAIHCWSOSGGI-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC001140826758 804530018 /nfs/dbraw/zinc/53/00/18/804530018.db2.gz PWUAIHCWSOSGGI-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001141230810 804617527 /nfs/dbraw/zinc/61/75/27/804617527.db2.gz MWOFBYQMDPNLMS-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001141230810 804617533 /nfs/dbraw/zinc/61/75/33/804617533.db2.gz MWOFBYQMDPNLMS-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141652475 804662645 /nfs/dbraw/zinc/66/26/45/804662645.db2.gz MNXVZTOVIVUKTN-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141652475 804662647 /nfs/dbraw/zinc/66/26/47/804662647.db2.gz MNXVZTOVIVUKTN-INIZCTEOSA-N 1 2 269.323 3.109 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1c(C)nn(C(C)(C)C)c1C ZINC001142174710 804700345 /nfs/dbraw/zinc/70/03/45/804700345.db2.gz JANWBIYLPNGFQJ-UHFFFAOYSA-N 1 2 276.428 3.381 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1c(C)nn(C(C)(C)C)c1C ZINC001142174710 804700346 /nfs/dbraw/zinc/70/03/46/804700346.db2.gz JANWBIYLPNGFQJ-UHFFFAOYSA-N 1 2 276.428 3.381 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(F)c(OCC)c(F)c1 ZINC001144027726 804928160 /nfs/dbraw/zinc/92/81/60/804928160.db2.gz VURFQLXTMJKLKG-UHFFFAOYSA-N 1 2 282.334 3.489 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(F)c(OCC)c(F)c1 ZINC001144027726 804928166 /nfs/dbraw/zinc/92/81/66/804928166.db2.gz VURFQLXTMJKLKG-UHFFFAOYSA-N 1 2 282.334 3.489 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817700 805002836 /nfs/dbraw/zinc/00/28/36/805002836.db2.gz HBJPIWIJSMZCHD-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817700 805002846 /nfs/dbraw/zinc/00/28/46/805002846.db2.gz HBJPIWIJSMZCHD-LLVKDONJSA-N 1 2 257.312 3.043 20 30 CGEDLO Cc1nc(N(C)Cc2ccc(C#N)cc2)cc(C(C)C)[nH+]1 ZINC001166537740 807052128 /nfs/dbraw/zinc/05/21/28/807052128.db2.gz BOIUKKBGRLPVCX-UHFFFAOYSA-N 1 2 280.375 3.417 20 30 CGEDLO COc1cc(C[N@H+](CCC#N)C2CCCC2)cnc1Cl ZINC001249927509 805310174 /nfs/dbraw/zinc/31/01/74/805310174.db2.gz KMUQQYQUCWBRCV-UHFFFAOYSA-N 1 2 293.798 3.402 20 30 CGEDLO COc1cc(C[N@@H+](CCC#N)C2CCCC2)cnc1Cl ZINC001249927509 805310180 /nfs/dbraw/zinc/31/01/80/805310180.db2.gz KMUQQYQUCWBRCV-UHFFFAOYSA-N 1 2 293.798 3.402 20 30 CGEDLO CC(C)(C)C(=[NH2+])Nc1nc2c(cc1C#N)CCCC2 ZINC001155180389 805552001 /nfs/dbraw/zinc/55/20/01/805552001.db2.gz VEWICZFRZBNASN-UHFFFAOYSA-N 1 2 256.353 3.267 20 30 CGEDLO Cc1cn2cccc(Nc3ccc(OCC#N)cc3)c2[nH+]1 ZINC001212605345 815083876 /nfs/dbraw/zinc/08/38/76/815083876.db2.gz XNWVSYALZCKBON-UHFFFAOYSA-N 1 2 278.315 3.289 20 30 CGEDLO C=CCN(Cc1ccccc1)c1nc(C)[nH+]c2c1CCC2 ZINC001167126759 807156761 /nfs/dbraw/zinc/15/67/61/807156761.db2.gz MWWGQUKIRGQYDG-UHFFFAOYSA-N 1 2 279.387 3.466 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168087444 807308323 /nfs/dbraw/zinc/30/83/23/807308323.db2.gz LLKZGQPCZSPYKV-LSDHHAIUSA-N 1 2 285.428 3.047 20 30 CGEDLO CCCCC[C@H](CCC)[NH2+]C1(C#N)CCOCC1 ZINC001258668706 807536375 /nfs/dbraw/zinc/53/63/75/807536375.db2.gz ZAEMDRXMIJVATM-AWEZNQCLSA-N 1 2 252.402 3.398 20 30 CGEDLO C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697855 807551613 /nfs/dbraw/zinc/55/16/13/807551613.db2.gz SPADDAXGQCIBDH-KWCYVHTRSA-N 1 2 279.449 3.475 20 30 CGEDLO C[C@@H]1C[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697855 807551623 /nfs/dbraw/zinc/55/16/23/807551623.db2.gz SPADDAXGQCIBDH-KWCYVHTRSA-N 1 2 279.449 3.475 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](CCCC)Cc1ccccc1)C(=O)OC ZINC001258706612 807561673 /nfs/dbraw/zinc/56/16/73/807561673.db2.gz UDPKRPFCJXFUIW-DLBZAZTESA-N 1 2 289.419 3.495 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCCN(C(=O)OCC)CC1 ZINC001169665443 807683593 /nfs/dbraw/zinc/68/35/93/807683593.db2.gz YVIGNXZSZKFZIZ-AWEZNQCLSA-N 1 2 294.370 3.284 20 30 CGEDLO CC(=[NH+]NCc1ccc(F)cc1)c1cc(F)c(N)c(F)c1 ZINC001261236157 807718166 /nfs/dbraw/zinc/71/81/66/807718166.db2.gz XGAGSCPSLNPMFZ-UHFFFAOYSA-N 1 2 293.292 3.200 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)cc2C#N)cc1C#N ZINC001242585586 823046111 /nfs/dbraw/zinc/04/61/11/823046111.db2.gz ZFFQNBDPYCYFQB-SRZZPIQSSA-N 1 2 292.317 3.457 20 30 CGEDLO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170079171 807749635 /nfs/dbraw/zinc/74/96/35/807749635.db2.gz YAGASDWVSQUQTG-JSGCOSHPSA-N 1 2 267.438 3.475 20 30 CGEDLO CC(C)CCC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170079171 807749639 /nfs/dbraw/zinc/74/96/39/807749639.db2.gz YAGASDWVSQUQTG-JSGCOSHPSA-N 1 2 267.438 3.475 20 30 CGEDLO COc1cc(C)[nH+]c(CSCc2cc(C#N)ccn2)c1 ZINC001262481810 807866520 /nfs/dbraw/zinc/86/65/20/807866520.db2.gz FODBPXZXNLEPSC-UHFFFAOYSA-N 1 2 285.372 3.099 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001262619190 807877649 /nfs/dbraw/zinc/87/76/49/807877649.db2.gz RVHDJFIJEIDTKE-CQSZACIVSA-N 1 2 292.448 3.310 20 30 CGEDLO Cc1cc(NCCCS)nc(-c2ccccc2)[nH+]1 ZINC001170999946 807954499 /nfs/dbraw/zinc/95/44/99/807954499.db2.gz SWNWJORNEDEELC-UHFFFAOYSA-N 1 2 259.378 3.184 20 30 CGEDLO N#C[C@H]1CC=C(Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001212861760 815163856 /nfs/dbraw/zinc/16/38/56/815163856.db2.gz ZSRPQDVQVQUEKG-ZDUSSCGKSA-N 1 2 264.332 3.492 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCc3cccc4ncoc43)c2)CC1 ZINC001171455858 808061713 /nfs/dbraw/zinc/06/17/13/808061713.db2.gz LGXRUHAXKXERLI-UHFFFAOYSA-N 1 2 290.326 3.390 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001171567905 808099922 /nfs/dbraw/zinc/09/99/22/808099922.db2.gz WPTSNHXPXMGFSL-WBVHZDCISA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001171567905 808099930 /nfs/dbraw/zinc/09/99/30/808099930.db2.gz WPTSNHXPXMGFSL-WBVHZDCISA-N 1 2 299.439 3.126 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@H]1C#N)C2 ZINC001171571212 808100921 /nfs/dbraw/zinc/10/09/21/808100921.db2.gz VIRIZGVAWZVEOL-CVEARBPZSA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@H]1C#N)C2 ZINC001171571212 808100925 /nfs/dbraw/zinc/10/09/25/808100925.db2.gz VIRIZGVAWZVEOL-CVEARBPZSA-N 1 2 254.377 3.230 20 30 CGEDLO N#Cc1cccc(F)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213030787 815204548 /nfs/dbraw/zinc/20/45/48/815204548.db2.gz QZXFUQAAUHBDFC-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001172787306 808439707 /nfs/dbraw/zinc/43/97/07/808439707.db2.gz TXMCLICPQSTXGZ-FMKPAKJESA-N 1 2 280.412 3.026 20 30 CGEDLO N#C[C@H]1CCCC[N@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915172 808477315 /nfs/dbraw/zinc/47/73/15/808477315.db2.gz MBHMMOWULMQBOY-NVXWUHKLSA-N 1 2 299.374 3.220 20 30 CGEDLO N#C[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915172 808477323 /nfs/dbraw/zinc/47/73/23/808477323.db2.gz MBHMMOWULMQBOY-NVXWUHKLSA-N 1 2 299.374 3.220 20 30 CGEDLO CCC(C#N)(CC)[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172964218 808495590 /nfs/dbraw/zinc/49/55/90/808495590.db2.gz OLVRGUJDQURLGZ-CYBMUJFWSA-N 1 2 297.443 3.304 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039774 808496619 /nfs/dbraw/zinc/49/66/19/808496619.db2.gz FXEWIDINZAVADI-OAHLLOKOSA-N 1 2 264.413 3.254 20 30 CGEDLO COC(=O)CCCC[C@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001173438102 808634691 /nfs/dbraw/zinc/63/46/91/808634691.db2.gz WTPFFVRREROWOD-AWEZNQCLSA-N 1 2 280.412 3.314 20 30 CGEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@](C)(C#N)CC(C)C)C1 ZINC001173634999 808657242 /nfs/dbraw/zinc/65/72/42/808657242.db2.gz XQTSDFLOLRNTEO-IJEWVQPXSA-N 1 2 280.412 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001269221801 808657578 /nfs/dbraw/zinc/65/75/78/808657578.db2.gz PDYQMUNOKBOVSC-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001269221801 808657582 /nfs/dbraw/zinc/65/75/82/808657582.db2.gz PDYQMUNOKBOVSC-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001269584157 808690345 /nfs/dbraw/zinc/69/03/45/808690345.db2.gz TYTUNASNHYXJTQ-YUELXQCFSA-N 1 2 298.858 3.240 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001269584157 808690349 /nfs/dbraw/zinc/69/03/49/808690349.db2.gz TYTUNASNHYXJTQ-YUELXQCFSA-N 1 2 298.858 3.240 20 30 CGEDLO N#Cc1cccc(N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213090804 815231328 /nfs/dbraw/zinc/23/13/28/815231328.db2.gz GWXHTFDOOZJRNG-UHFFFAOYSA-N 1 2 275.315 3.274 20 30 CGEDLO COc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1C#N ZINC001174414619 809008576 /nfs/dbraw/zinc/00/85/76/809008576.db2.gz YSSBCKJYNLPHLD-UHFFFAOYSA-N 1 2 264.288 3.138 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001284132319 809297779 /nfs/dbraw/zinc/29/77/79/809297779.db2.gz PFZDYUPCVHUVKE-UONOGXRCSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001284132319 809297785 /nfs/dbraw/zinc/29/77/85/809297785.db2.gz PFZDYUPCVHUVKE-UONOGXRCSA-N 1 2 284.831 3.064 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(C#N)c1 ZINC001175352935 809374030 /nfs/dbraw/zinc/37/40/30/809374030.db2.gz QPZHQPWJDJUTBN-UHFFFAOYSA-N 1 2 289.342 3.169 20 30 CGEDLO COc1ccc(C#N)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352584 809374301 /nfs/dbraw/zinc/37/43/01/809374301.db2.gz WXCXIMMGQJYOBB-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO COc1cc(C#N)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175353043 809374540 /nfs/dbraw/zinc/37/45/40/809374540.db2.gz XMQOOPNXAASZMN-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO Cc1nc(Nc2cc(C3CC3)c[nH+]c2C)c(C#N)cc1C#N ZINC001213491236 815289724 /nfs/dbraw/zinc/28/97/24/815289724.db2.gz DDVCGWFMIVQGSJ-UHFFFAOYSA-N 1 2 289.342 3.458 20 30 CGEDLO N#Cc1cc(O)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175713535 809517241 /nfs/dbraw/zinc/51/72/41/809517241.db2.gz CQKKVJDQFINXAI-UHFFFAOYSA-N 1 2 294.236 3.003 20 30 CGEDLO N#Cc1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750419 809757423 /nfs/dbraw/zinc/75/74/23/809757423.db2.gz GWTYQAQFPZKSGF-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cc(Cl)cs2)n1 ZINC001179681577 809936035 /nfs/dbraw/zinc/93/60/35/809936035.db2.gz NMCPYXDGIHZSDM-UHFFFAOYSA-N 1 2 269.782 3.019 20 30 CGEDLO C=CC[N@@H+](Cc1cncn1CCC)Cc1ccc(OC)cc1 ZINC001179966554 809964189 /nfs/dbraw/zinc/96/41/89/809964189.db2.gz OIDBTSJLYLWJIA-UHFFFAOYSA-N 1 2 299.418 3.490 20 30 CGEDLO C=CC[N@H+](Cc1cncn1CCC)Cc1ccc(OC)cc1 ZINC001179966554 809964193 /nfs/dbraw/zinc/96/41/93/809964193.db2.gz OIDBTSJLYLWJIA-UHFFFAOYSA-N 1 2 299.418 3.490 20 30 CGEDLO CCCCCCC[C@H](C)C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001181119760 810037933 /nfs/dbraw/zinc/03/79/33/810037933.db2.gz BRYANRHDWYQJST-ZDUSSCGKSA-N 1 2 279.428 3.373 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001188596975 810491293 /nfs/dbraw/zinc/49/12/93/810491293.db2.gz DSOKCKUIVXOXSH-UHFFFAOYSA-N 1 2 295.386 3.175 20 30 CGEDLO N#Cc1ccc(F)c(Nc2cccn3cc[nH+]c23)c1 ZINC001214592904 815427911 /nfs/dbraw/zinc/42/79/11/815427911.db2.gz SDPKWGHBEURXQW-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO COc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC001214998953 815474947 /nfs/dbraw/zinc/47/49/47/815474947.db2.gz QLRDQMRQPNTFOX-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO N#Cc1ccc(-c2ccccc2Nc2ccc(N)[nH+]c2)nc1 ZINC001201300027 811810295 /nfs/dbraw/zinc/81/02/95/811810295.db2.gz KAGRRUOCLOSSFB-UHFFFAOYSA-N 1 2 287.326 3.341 20 30 CGEDLO COc1ccc(C#N)cc1Nc1c[nH+]c(C)cc1C ZINC001201580875 811911996 /nfs/dbraw/zinc/91/19/96/811911996.db2.gz XTOPSWTYGFQPDF-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CCOc1cccc(C[NH2+][C@H](C)CC#N)c1OC(F)F ZINC001203522527 812381542 /nfs/dbraw/zinc/38/15/42/812381542.db2.gz RNSSGFIHHBEGFH-SNVBAGLBSA-N 1 2 284.306 3.078 20 30 CGEDLO COc1ccc(Nc2cc(C)c[nH+]c2C)cc1C#N ZINC001203663871 812422608 /nfs/dbraw/zinc/42/26/08/812422608.db2.gz XPOSXZPXOMLNLE-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1cc(Cl)nc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204972013 812805131 /nfs/dbraw/zinc/80/51/31/812805131.db2.gz UBJFQTFIRDUXQM-UHFFFAOYSA-N 1 2 283.722 3.306 20 30 CGEDLO C=CCOC(=O)c1ccccc1Nc1ccn2cc[nH+]c2c1 ZINC001204990613 812811875 /nfs/dbraw/zinc/81/18/75/812811875.db2.gz BYPMUEPFJUKKGS-UHFFFAOYSA-N 1 2 293.326 3.421 20 30 CGEDLO C=CC[N@@H+](Cc1cc(Br)cnc1F)C1CC1 ZINC001205312226 812946428 /nfs/dbraw/zinc/94/64/28/812946428.db2.gz RIFNMMSQGWRXFR-UHFFFAOYSA-N 1 2 285.160 3.134 20 30 CGEDLO C=CC[N@H+](Cc1cc(Br)cnc1F)C1CC1 ZINC001205312226 812946437 /nfs/dbraw/zinc/94/64/37/812946437.db2.gz RIFNMMSQGWRXFR-UHFFFAOYSA-N 1 2 285.160 3.134 20 30 CGEDLO Cc1cc(O)cc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001206247927 813254732 /nfs/dbraw/zinc/25/47/32/813254732.db2.gz KBQLEPQHQANNKF-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC(C(C)C)C(C)C ZINC001206578013 813360718 /nfs/dbraw/zinc/36/07/18/813360718.db2.gz QXJKHASZKOQWDG-UHFFFAOYSA-N 1 2 281.440 3.192 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC(C(C)C)C(C)C ZINC001206578013 813360726 /nfs/dbraw/zinc/36/07/26/813360726.db2.gz QXJKHASZKOQWDG-UHFFFAOYSA-N 1 2 281.440 3.192 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)C(=O)OC ZINC001207129821 813493264 /nfs/dbraw/zinc/49/32/64/813493264.db2.gz SFJBFZPYCLUIMQ-PQUAAJSLSA-N 1 2 287.403 3.204 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]2S1 ZINC001207599612 813607728 /nfs/dbraw/zinc/60/77/28/813607728.db2.gz AYTDVHDIBMTFJM-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]2S1 ZINC001207599612 813607734 /nfs/dbraw/zinc/60/77/34/813607734.db2.gz AYTDVHDIBMTFJM-HNNXBMFYSA-N 1 2 291.391 3.032 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2nc3ccccc3o2)cs1 ZINC001207610707 813613106 /nfs/dbraw/zinc/61/31/06/813613106.db2.gz DLFGETBJXMAEGG-UHFFFAOYSA-N 1 2 269.329 3.051 20 30 CGEDLO C#CCC1(NC(=O)Nc2ccc3[nH+]ccn3c2)CCCCC1 ZINC001207825531 813656877 /nfs/dbraw/zinc/65/68/77/813656877.db2.gz JNHVNXPXVGDWDO-UHFFFAOYSA-N 1 2 296.374 3.182 20 30 CGEDLO N#Cc1ccc(CC[NH+]2CC(Oc3ccccc3F)C2)cc1 ZINC001208926794 813901661 /nfs/dbraw/zinc/90/16/61/813901661.db2.gz BXTVSVGSSHHJGD-UHFFFAOYSA-N 1 2 296.345 3.003 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209756273 814131466 /nfs/dbraw/zinc/13/14/66/814131466.db2.gz XLOWHIUXWKVOJH-NSHDSACASA-N 1 2 288.782 3.342 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209756273 814131470 /nfs/dbraw/zinc/13/14/70/814131470.db2.gz XLOWHIUXWKVOJH-NSHDSACASA-N 1 2 288.782 3.342 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209756273 814131476 /nfs/dbraw/zinc/13/14/76/814131476.db2.gz XLOWHIUXWKVOJH-NSHDSACASA-N 1 2 288.782 3.342 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209756273 814131479 /nfs/dbraw/zinc/13/14/79/814131479.db2.gz XLOWHIUXWKVOJH-NSHDSACASA-N 1 2 288.782 3.342 20 30 CGEDLO N#Cc1sccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209926304 814201619 /nfs/dbraw/zinc/20/16/19/814201619.db2.gz UUDJZACZMPJABG-UHFFFAOYSA-N 1 2 299.399 3.196 20 30 CGEDLO COc1cccc(Nc2[nH+]c3ccccc3n2C)c1C#N ZINC001210122460 814299495 /nfs/dbraw/zinc/29/94/95/814299495.db2.gz XGDWAODWJUQNSS-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2cc(F)c3c(c2)C[N@@H+](C)CC3)C1 ZINC001242743417 823119377 /nfs/dbraw/zinc/11/93/77/823119377.db2.gz SAUAHLPVDLCRMS-LLVKDONJSA-N 1 2 273.351 3.196 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2cc(F)c3c(c2)C[N@H+](C)CC3)C1 ZINC001242743417 823119379 /nfs/dbraw/zinc/11/93/79/823119379.db2.gz SAUAHLPVDLCRMS-LLVKDONJSA-N 1 2 273.351 3.196 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(C#N)c(C)c1 ZINC001242768266 823127287 /nfs/dbraw/zinc/12/72/87/823127287.db2.gz SXWUIOMFLVBUAL-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1cc(-c2c[nH+]c(N3CCOCC3)cc2C)ccc1C#N ZINC001242768772 823127520 /nfs/dbraw/zinc/12/75/20/823127520.db2.gz XXWLUHLOLNQQSA-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO COc1cc(Nc2cc(F)c(C#N)cc2OC)cc(C)[nH+]1 ZINC001210780183 814626043 /nfs/dbraw/zinc/62/60/43/814626043.db2.gz DNUFFYDZDYKXJT-UHFFFAOYSA-N 1 2 287.294 3.162 20 30 CGEDLO COc1cc(Nc2c(C#N)ccc(F)c2F)cc(C)[nH+]1 ZINC001210783226 814626920 /nfs/dbraw/zinc/62/69/20/814626920.db2.gz CYQRZJHEFQYUCL-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO CC(C)c1c(C#N)cccc1O[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218280048 816150994 /nfs/dbraw/zinc/15/09/94/816150994.db2.gz YQOBWTXRBUZOHH-GFCCVEGCSA-N 1 2 280.318 3.058 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001221431633 816314950 /nfs/dbraw/zinc/31/49/50/816314950.db2.gz ANKFDXCPGDDFFD-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001221431633 816314957 /nfs/dbraw/zinc/31/49/57/816314957.db2.gz ANKFDXCPGDDFFD-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO Cc1cc(C#N)cc(OC2C[NH+](Cc3ccccc3)C2)c1 ZINC001227837331 817730942 /nfs/dbraw/zinc/73/09/42/817730942.db2.gz WNFKBTDRSSNOFD-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001231624535 818141252 /nfs/dbraw/zinc/14/12/52/818141252.db2.gz ILDJDXNKMRAHME-KRWDZBQOSA-N 1 2 295.386 3.379 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001231624535 818141257 /nfs/dbraw/zinc/14/12/57/818141257.db2.gz ILDJDXNKMRAHME-KRWDZBQOSA-N 1 2 295.386 3.379 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(C#N)c1 ZINC001232967439 818485846 /nfs/dbraw/zinc/48/58/46/818485846.db2.gz MNIXSSXBYFAREX-UHFFFAOYSA-N 1 2 284.403 3.402 20 30 CGEDLO Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(C#N)c1 ZINC001232967439 818485852 /nfs/dbraw/zinc/48/58/52/818485852.db2.gz MNIXSSXBYFAREX-UHFFFAOYSA-N 1 2 284.403 3.402 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(Cl)ncc1O)C1CCCC1 ZINC001233035629 818504169 /nfs/dbraw/zinc/50/41/69/818504169.db2.gz HDVSQWYIUXZDCM-UHFFFAOYSA-N 1 2 279.771 3.099 20 30 CGEDLO N#CCC[N@H+](Cc1cc(Cl)ncc1O)C1CCCC1 ZINC001233035629 818504178 /nfs/dbraw/zinc/50/41/78/818504178.db2.gz HDVSQWYIUXZDCM-UHFFFAOYSA-N 1 2 279.771 3.099 20 30 CGEDLO C#C[C@H](Oc1ccc(C(=[NH2+])OCC)cc1)c1ccncc1 ZINC001234587930 818888050 /nfs/dbraw/zinc/88/80/50/818888050.db2.gz GBNSJYATNWGYBJ-INIZCTEOSA-N 1 2 280.327 3.197 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)ccc(N)c1F ZINC001235662603 819131525 /nfs/dbraw/zinc/13/15/25/819131525.db2.gz JWVYPCFNKFSAEL-UHFFFAOYSA-N 1 2 287.313 3.051 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)ccc(N)c1F ZINC001235662603 819131530 /nfs/dbraw/zinc/13/15/30/819131530.db2.gz JWVYPCFNKFSAEL-UHFFFAOYSA-N 1 2 287.313 3.051 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127248 819673196 /nfs/dbraw/zinc/67/31/96/819673196.db2.gz XRNRONPHSDWSEI-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127248 819673198 /nfs/dbraw/zinc/67/31/98/819673198.db2.gz XRNRONPHSDWSEI-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237224598 819703342 /nfs/dbraw/zinc/70/33/42/819703342.db2.gz GYDSSIDEHVJVOY-QGZVFWFLSA-N 1 2 284.403 3.093 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237224598 819703348 /nfs/dbraw/zinc/70/33/48/819703348.db2.gz GYDSSIDEHVJVOY-QGZVFWFLSA-N 1 2 284.403 3.093 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237979826 819902411 /nfs/dbraw/zinc/90/24/11/819902411.db2.gz JWBDDDFMGWJLBC-UHFFFAOYSA-N 1 2 260.362 3.134 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237979826 819902415 /nfs/dbraw/zinc/90/24/15/819902415.db2.gz JWBDDDFMGWJLBC-UHFFFAOYSA-N 1 2 260.362 3.134 20 30 CGEDLO CC(C)Oc1c(F)cccc1C[NH+]1CCC(C#N)CC1 ZINC001238333045 819976442 /nfs/dbraw/zinc/97/64/42/819976442.db2.gz RWIZOGDHSFXJDV-UHFFFAOYSA-N 1 2 276.355 3.348 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001238654599 820070374 /nfs/dbraw/zinc/07/03/74/820070374.db2.gz YNPAVUPJNXATRZ-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238654599 820070382 /nfs/dbraw/zinc/07/03/82/820070382.db2.gz YNPAVUPJNXATRZ-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO N#Cc1cnc(-c2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC001243657045 823476435 /nfs/dbraw/zinc/47/64/35/823476435.db2.gz MEOYJCLWVQIDMP-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#CCc1ccncc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243662996 823478567 /nfs/dbraw/zinc/47/85/67/823478567.db2.gz SGDCSFWMIDEGTB-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO Cc1cc(O)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240646565 821215131 /nfs/dbraw/zinc/21/51/31/821215131.db2.gz GKLVQINALPRVNG-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1ncccc1C#C[Si](C)(C)C ZINC001242072601 822332144 /nfs/dbraw/zinc/33/21/44/822332144.db2.gz NVFLLMPBIBINPR-UHFFFAOYSA-N 1 2 281.435 3.263 20 30 CGEDLO COc1cccc(-c2cc(C)c3[nH+]ccn3c2)c1C#N ZINC001242300663 822943992 /nfs/dbraw/zinc/94/39/92/822943992.db2.gz SMDOAKBKMAOZDN-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001474382097 937856158 /nfs/dbraw/zinc/85/61/58/937856158.db2.gz BSNDBNSLOCLYCT-UHFFFAOYSA-N 1 2 286.253 3.069 20 30 CGEDLO C#CC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001474382097 937856160 /nfs/dbraw/zinc/85/61/60/937856160.db2.gz BSNDBNSLOCLYCT-UHFFFAOYSA-N 1 2 286.253 3.069 20 30 CGEDLO C=C(CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001348561020 936926524 /nfs/dbraw/zinc/92/65/24/936926524.db2.gz ZNLNLGMSMIGFOY-NSHDSACASA-N 1 2 293.436 3.280 20 30 CGEDLO C=C(CC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001348561020 936926527 /nfs/dbraw/zinc/92/65/27/936926527.db2.gz ZNLNLGMSMIGFOY-NSHDSACASA-N 1 2 293.436 3.280 20 30 CGEDLO CC(C)(C)c1nc(C[NH+]2CCC(CC#N)CC2)co1 ZINC001354584231 937106011 /nfs/dbraw/zinc/10/60/11/937106011.db2.gz LHUZHZORUWLDTL-UHFFFAOYSA-N 1 2 261.369 3.098 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1CCC=CCC1)C1CC1 ZINC001481196716 926906047 /nfs/dbraw/zinc/90/60/47/926906047.db2.gz CCZGOHPLWIMZNE-UHFFFAOYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1CCC=CCC1)C1CC1 ZINC001481196716 926906055 /nfs/dbraw/zinc/90/60/55/926906055.db2.gz CCZGOHPLWIMZNE-UHFFFAOYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C(C)(C)C1CCC1 ZINC001492995114 927157087 /nfs/dbraw/zinc/15/70/87/927157087.db2.gz FVOQZKKCSVRQFH-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C(C)(C)C1CCC1 ZINC001492995114 927157098 /nfs/dbraw/zinc/15/70/98/927157098.db2.gz FVOQZKKCSVRQFH-UHFFFAOYSA-N 1 2 286.847 3.003 20 30 CGEDLO COc1ccc(C#N)cc1Nc1ccc(C)[nH+]c1C ZINC001201575636 928281434 /nfs/dbraw/zinc/28/14/34/928281434.db2.gz SKKJIPKTUUSUJM-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001490569622 928376718 /nfs/dbraw/zinc/37/67/18/928376718.db2.gz DHMSGEQTWRBLIJ-UONOGXRCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001490569622 928376727 /nfs/dbraw/zinc/37/67/27/928376727.db2.gz DHMSGEQTWRBLIJ-UONOGXRCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001440490997 937330155 /nfs/dbraw/zinc/33/01/55/937330155.db2.gz ROQQYNOHCSSQIH-OLZOCXBDSA-N 1 2 286.847 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001440490997 937330159 /nfs/dbraw/zinc/33/01/59/937330159.db2.gz ROQQYNOHCSSQIH-OLZOCXBDSA-N 1 2 286.847 3.000 20 30 CGEDLO C=CCCCCC[NH2+][C@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC001459967465 937508814 /nfs/dbraw/zinc/50/88/14/937508814.db2.gz WYGPXWPGRDWMCI-PBHICJAKSA-N 1 2 297.439 3.069 20 30 CGEDLO CCc1[nH+]ccc(C)c1Nc1cnc(C#N)c(F)c1 ZINC001203055685 931960509 /nfs/dbraw/zinc/96/05/09/931960509.db2.gz SCFFOSHUSZUVMZ-UHFFFAOYSA-N 1 2 256.284 3.102 20 30 CGEDLO C=CC[C@@H](CCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920560 932642734 /nfs/dbraw/zinc/64/27/34/932642734.db2.gz PETHREMMQJYWSM-AWEZNQCLSA-N 1 2 259.349 3.491 20 30 CGEDLO C=CC[C@@H](C)[NH2+][C@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC001307986296 933031017 /nfs/dbraw/zinc/03/10/17/933031017.db2.gz CWIKZXFZRWRSIR-IUODEOHRSA-N 1 2 295.810 3.368 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001308140175 933056475 /nfs/dbraw/zinc/05/64/75/933056475.db2.gz FEYULUWOIHCXGW-CQSZACIVSA-N 1 2 290.313 3.147 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001308140175 933056479 /nfs/dbraw/zinc/05/64/79/933056479.db2.gz FEYULUWOIHCXGW-CQSZACIVSA-N 1 2 290.313 3.147 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308768773 933172384 /nfs/dbraw/zinc/17/23/84/933172384.db2.gz AROXMHUGPWMUDD-NVXWUHKLSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001317753576 933642358 /nfs/dbraw/zinc/64/23/58/933642358.db2.gz KPZWGRIOVPJUJR-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001317753576 933642365 /nfs/dbraw/zinc/64/23/65/933642365.db2.gz KPZWGRIOVPJUJR-TZMCWYRMSA-N 1 2 286.847 3.098 20 30 CGEDLO CN(C)c1cc(CSCc2ccc(C#N)cc2)cc[nH+]1 ZINC001321215123 934163336 /nfs/dbraw/zinc/16/33/36/934163336.db2.gz MHAREAIXERQBLT-UHFFFAOYSA-N 1 2 283.400 3.453 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001322932364 934349454 /nfs/dbraw/zinc/34/94/54/934349454.db2.gz VURPQQKGNUNLEP-UHFFFAOYSA-N 1 2 290.710 3.276 20 30 CGEDLO CCN(CC)c1ncc(C=[NH+]OC(C)(C)C)s1 ZINC001323132732 934366203 /nfs/dbraw/zinc/36/62/03/934366203.db2.gz QBLDKYIPGOUSNN-UHFFFAOYSA-N 1 2 255.387 3.138 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)cc1 ZINC001323546972 934406226 /nfs/dbraw/zinc/40/62/26/934406226.db2.gz ZTVBMPZGFBBHPY-DHZHZOJOSA-N 1 2 282.343 3.052 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cccnc1N(C)C ZINC001327346199 935054040 /nfs/dbraw/zinc/05/40/40/935054040.db2.gz KBDGZCYVRSNKRF-UHFFFAOYSA-N 1 2 288.439 3.299 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cccnc1N(C)C ZINC001327346199 935054045 /nfs/dbraw/zinc/05/40/45/935054045.db2.gz KBDGZCYVRSNKRF-UHFFFAOYSA-N 1 2 288.439 3.299 20 30 CGEDLO CN(C)c1cc(CSCC2(CC#N)CC2)cc[nH+]1 ZINC001327687762 935078145 /nfs/dbraw/zinc/07/81/45/935078145.db2.gz GQYVOCPUPMHZRQ-UHFFFAOYSA-N 1 2 261.394 3.075 20 30 CGEDLO CSc1ccccc1C(C)=NNCCCn1cc[nH+]c1 ZINC001332928536 935498167 /nfs/dbraw/zinc/49/81/67/935498167.db2.gz JUUJQMYJJOTRQU-UHFFFAOYSA-N 1 2 288.420 3.009 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@]1(C)CC=CCC1)C1CC1 ZINC001493372402 937950169 /nfs/dbraw/zinc/95/01/69/937950169.db2.gz MVNHORVHNNCATF-MRXNPFEDSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@]1(C)CC=CCC1)C1CC1 ZINC001493372402 937950170 /nfs/dbraw/zinc/95/01/70/937950170.db2.gz MVNHORVHNNCATF-MRXNPFEDSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001494451985 937954843 /nfs/dbraw/zinc/95/48/43/937954843.db2.gz KCRKQYKVBIRRES-HNNXBMFYSA-N 1 2 278.440 3.136 20 30 CGEDLO C=CCN(CC=C)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001540397840 938130942 /nfs/dbraw/zinc/13/09/42/938130942.db2.gz RDWXIJBOLCKJKX-IYBDPMFKSA-N 1 2 299.418 3.253 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1F ZINC001560209482 938247252 /nfs/dbraw/zinc/24/72/52/938247252.db2.gz OBSSPTMOXHJWAQ-CYBMUJFWSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC001560209482 938247253 /nfs/dbraw/zinc/24/72/53/938247253.db2.gz OBSSPTMOXHJWAQ-CYBMUJFWSA-N 1 2 251.732 3.467 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001568483817 961600071 /nfs/dbraw/zinc/60/00/71/961600071.db2.gz BUUJYZDSXNHRAT-HNNXBMFYSA-N 1 2 298.858 3.266 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001568483817 961600078 /nfs/dbraw/zinc/60/00/78/961600078.db2.gz BUUJYZDSXNHRAT-HNNXBMFYSA-N 1 2 298.858 3.266 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000590362423 346844152 /nfs/dbraw/zinc/84/41/52/346844152.db2.gz GZKZANOGVRLFNX-SFHVURJKSA-N 1 2 295.386 3.391 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000590362423 346844154 /nfs/dbraw/zinc/84/41/54/346844154.db2.gz GZKZANOGVRLFNX-SFHVURJKSA-N 1 2 295.386 3.391 20 30 CGEDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439441537 529408811 /nfs/dbraw/zinc/40/88/11/529408811.db2.gz QBWOQPKRSZIPPM-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439441537 529408813 /nfs/dbraw/zinc/40/88/13/529408813.db2.gz QBWOQPKRSZIPPM-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO C=C1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000269777686 190551556 /nfs/dbraw/zinc/55/15/56/190551556.db2.gz NRTFCOPUHYLVGM-CQSZACIVSA-N 1 2 296.208 3.135 20 30 CGEDLO CCc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000347784796 529637136 /nfs/dbraw/zinc/63/71/36/529637136.db2.gz LXUKRYHLBQXQEE-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO CCc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000347784796 529637138 /nfs/dbraw/zinc/63/71/38/529637138.db2.gz LXUKRYHLBQXQEE-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO Cc1cc(N2CCC(c3nccs3)CC2)c(C#N)c[nH+]1 ZINC000591818966 346938982 /nfs/dbraw/zinc/93/89/82/346938982.db2.gz YUWSVUHMJPOTAE-UHFFFAOYSA-N 1 2 284.388 3.102 20 30 CGEDLO Cc1cc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823090 346940068 /nfs/dbraw/zinc/94/00/68/346940068.db2.gz SXUNUYCFLYSDDZ-AEFFLSMTSA-N 1 2 293.370 3.016 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000592063532 346958028 /nfs/dbraw/zinc/95/80/28/346958028.db2.gz YDMNTAUVWRFMCE-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000592063532 346958030 /nfs/dbraw/zinc/95/80/30/346958030.db2.gz YDMNTAUVWRFMCE-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cnccc1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000592069168 346959665 /nfs/dbraw/zinc/95/96/65/346959665.db2.gz MRYDFIPBKLRWKO-UHFFFAOYSA-N 1 2 295.361 3.472 20 30 CGEDLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000593013435 347027165 /nfs/dbraw/zinc/02/71/65/347027165.db2.gz MOJRFYOWTGMNOX-LSDHHAIUSA-N 1 2 298.415 3.118 20 30 CGEDLO Cc1nnsc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000593013435 347027167 /nfs/dbraw/zinc/02/71/67/347027167.db2.gz MOJRFYOWTGMNOX-LSDHHAIUSA-N 1 2 298.415 3.118 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125827 347043179 /nfs/dbraw/zinc/04/31/79/347043179.db2.gz OIBALBDDJVOLRW-GOSISDBHSA-N 1 2 292.382 3.132 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125827 347043180 /nfs/dbraw/zinc/04/31/80/347043180.db2.gz OIBALBDDJVOLRW-GOSISDBHSA-N 1 2 292.382 3.132 20 30 CGEDLO Cc1cccn2cc(C[N@@H+](C)Cc3cccc(C#N)c3)nc12 ZINC000045915399 345031802 /nfs/dbraw/zinc/03/18/02/345031802.db2.gz GFUKVYFREAIGEE-UHFFFAOYSA-N 1 2 290.370 3.146 20 30 CGEDLO Cc1cccn2cc(C[N@H+](C)Cc3cccc(C#N)c3)nc12 ZINC000045915399 345031804 /nfs/dbraw/zinc/03/18/04/345031804.db2.gz GFUKVYFREAIGEE-UHFFFAOYSA-N 1 2 290.370 3.146 20 30 CGEDLO N#CC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000060893375 345224194 /nfs/dbraw/zinc/22/41/94/345224194.db2.gz ITZKIUZCQMFMRI-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO C=CCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904472 345266722 /nfs/dbraw/zinc/26/67/22/345266722.db2.gz FCVGIXNOCQAJDT-UHFFFAOYSA-N 1 2 284.319 3.212 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)NC1CCCCCC1 ZINC000072690884 345416280 /nfs/dbraw/zinc/41/62/80/345416280.db2.gz UHDXOIBJQAKXCE-UHFFFAOYSA-N 1 2 293.455 3.087 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)NC1CCCCCC1 ZINC000072690884 345416283 /nfs/dbraw/zinc/41/62/83/345416283.db2.gz UHDXOIBJQAKXCE-UHFFFAOYSA-N 1 2 293.455 3.087 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000076152689 345535473 /nfs/dbraw/zinc/53/54/73/345535473.db2.gz SGIZZIGEKIUDLO-JKSUJKDBSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000076152689 345535475 /nfs/dbraw/zinc/53/54/75/345535475.db2.gz SGIZZIGEKIUDLO-JKSUJKDBSA-N 1 2 281.359 3.255 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)C[C@@H](C#N)CCC#N ZINC000075673214 345517957 /nfs/dbraw/zinc/51/79/57/345517957.db2.gz XEWHAFXMSBVWID-MRXNPFEDSA-N 1 2 253.349 3.118 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)C[C@@H](C#N)CCC#N ZINC000075673214 345517958 /nfs/dbraw/zinc/51/79/58/345517958.db2.gz XEWHAFXMSBVWID-MRXNPFEDSA-N 1 2 253.349 3.118 20 30 CGEDLO CCn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000093872185 345892209 /nfs/dbraw/zinc/89/22/09/345892209.db2.gz ZPRXKQWBAFPHEH-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000093872185 345892216 /nfs/dbraw/zinc/89/22/16/345892216.db2.gz ZPRXKQWBAFPHEH-ZWKOTPCHSA-N 1 2 294.402 3.175 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1c(C)cc(Cl)cc1C ZINC000093099918 345869019 /nfs/dbraw/zinc/86/90/19/345869019.db2.gz RJYNHFXZMSOIKP-UHFFFAOYSA-N 1 2 280.799 3.319 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1c(C)cc(Cl)cc1C ZINC000093099918 345869022 /nfs/dbraw/zinc/86/90/22/345869022.db2.gz RJYNHFXZMSOIKP-UHFFFAOYSA-N 1 2 280.799 3.319 20 30 CGEDLO N#Cc1cccc(SCc2cn3ccccc3[nH+]2)c1 ZINC000177101815 232355538 /nfs/dbraw/zinc/35/55/38/232355538.db2.gz ZNRBCUOMEHRROQ-UHFFFAOYSA-N 1 2 265.341 3.498 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC(O)(CC)CC)c1 ZINC000276398407 346414352 /nfs/dbraw/zinc/41/43/52/346414352.db2.gz OCDCMPDDDIGYQQ-SFQUDFHCSA-N 1 2 279.380 3.151 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000309594157 346469331 /nfs/dbraw/zinc/46/93/31/346469331.db2.gz TZIYYDMPDMQMKN-UHFFFAOYSA-N 1 2 299.599 3.496 20 30 CGEDLO Cc1ccc[nH+]c1CCc1noc(CCCCCC#N)n1 ZINC000351125673 346528849 /nfs/dbraw/zinc/52/88/49/346528849.db2.gz BEWZLECAUJXPMX-UHFFFAOYSA-N 1 2 284.363 3.185 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000393831186 346576258 /nfs/dbraw/zinc/57/62/58/346576258.db2.gz JHOZDKADNDGNJT-QMMMGPOBSA-N 1 2 272.179 3.167 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000393831186 346576260 /nfs/dbraw/zinc/57/62/60/346576260.db2.gz JHOZDKADNDGNJT-QMMMGPOBSA-N 1 2 272.179 3.167 20 30 CGEDLO Cc1cnc(CC[N@H+](CC#N)C2CCCC2)c(C)c1 ZINC000401090636 346592205 /nfs/dbraw/zinc/59/22/05/346592205.db2.gz UVPSGELTPNGTEN-UHFFFAOYSA-N 1 2 257.381 3.009 20 30 CGEDLO Cc1cnc(CC[N@@H+](CC#N)C2CCCC2)c(C)c1 ZINC000401090636 346592206 /nfs/dbraw/zinc/59/22/06/346592206.db2.gz UVPSGELTPNGTEN-UHFFFAOYSA-N 1 2 257.381 3.009 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405093959 346602434 /nfs/dbraw/zinc/60/24/34/346602434.db2.gz WBGUUYKUNXDDIC-UHFFFAOYSA-N 1 2 253.349 3.204 20 30 CGEDLO CC(C)(C#N)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405093959 346602439 /nfs/dbraw/zinc/60/24/39/346602439.db2.gz WBGUUYKUNXDDIC-UHFFFAOYSA-N 1 2 253.349 3.204 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000584728826 346710992 /nfs/dbraw/zinc/71/09/92/346710992.db2.gz XQEBFQNUSUCJDH-JTQLQIEISA-N 1 2 251.399 3.222 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000588312968 346759808 /nfs/dbraw/zinc/75/98/08/346759808.db2.gz PPHMQXMFLKOMSV-ZETCQYMHSA-N 1 2 278.224 3.375 20 30 CGEDLO N#CCCCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000588335535 346760378 /nfs/dbraw/zinc/76/03/78/346760378.db2.gz MNFHXIRDUHGTAC-UHFFFAOYSA-N 1 2 282.347 3.489 20 30 CGEDLO Cc1ccc(C[N@H+](Cc2ccc(C#N)cn2)C2CC2)o1 ZINC000593945432 347121751 /nfs/dbraw/zinc/12/17/51/347121751.db2.gz MSAPFBUNXWPDPD-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C2CC2)o1 ZINC000593945432 347121754 /nfs/dbraw/zinc/12/17/54/347121754.db2.gz MSAPFBUNXWPDPD-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO CN(C)c1ccc2cc(NC(=O)CCCCC#N)ccc2[nH+]1 ZINC000593967982 347125718 /nfs/dbraw/zinc/12/57/18/347125718.db2.gz DLPJTQBPJYCBJC-UHFFFAOYSA-N 1 2 296.374 3.323 20 30 CGEDLO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595612188 347327795 /nfs/dbraw/zinc/32/77/95/347327795.db2.gz SUUQSWSPNZQVBZ-QWHCGFSZSA-N 1 2 276.384 3.099 20 30 CGEDLO CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595612188 347327797 /nfs/dbraw/zinc/32/77/97/347327797.db2.gz SUUQSWSPNZQVBZ-QWHCGFSZSA-N 1 2 276.384 3.099 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)nc1 ZINC000595699825 347341510 /nfs/dbraw/zinc/34/15/10/347341510.db2.gz AVCAVOLOZXBJJA-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)nc1 ZINC000595699825 347341514 /nfs/dbraw/zinc/34/15/14/347341514.db2.gz AVCAVOLOZXBJJA-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO COc1ccccc1CCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595713030 347345781 /nfs/dbraw/zinc/34/57/81/347345781.db2.gz RANKAUNLACYIBE-CYBMUJFWSA-N 1 2 258.365 3.004 20 30 CGEDLO COc1ccccc1CCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595713030 347345782 /nfs/dbraw/zinc/34/57/82/347345782.db2.gz RANKAUNLACYIBE-CYBMUJFWSA-N 1 2 258.365 3.004 20 30 CGEDLO CO[C@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)C1CCCC1 ZINC000595467003 347307518 /nfs/dbraw/zinc/30/75/18/347307518.db2.gz VGHCYKKSZGHPBH-CABCVRRESA-N 1 2 264.413 3.206 20 30 CGEDLO CO[C@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)C1CCCC1 ZINC000595467003 347307521 /nfs/dbraw/zinc/30/75/21/347307521.db2.gz VGHCYKKSZGHPBH-CABCVRRESA-N 1 2 264.413 3.206 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1Cl ZINC000595531293 347316232 /nfs/dbraw/zinc/31/62/32/347316232.db2.gz VZWZRQCNGNXGLJ-LLVKDONJSA-N 1 2 252.745 3.130 20 30 CGEDLO C[C@H]1CC2(C[N@@H+]1[C@H](C#N)c1ccccc1)CCOCC2 ZINC000595557569 347319062 /nfs/dbraw/zinc/31/90/62/347319062.db2.gz KPAYAQCHTQKUKH-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1CC2(C[N@H+]1[C@H](C#N)c1ccccc1)CCOCC2 ZINC000595557569 347319064 /nfs/dbraw/zinc/31/90/64/347319064.db2.gz KPAYAQCHTQKUKH-GOEBONIOSA-N 1 2 270.376 3.142 20 30 CGEDLO N#CCC1CCN(c2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000596188826 347396632 /nfs/dbraw/zinc/39/66/32/347396632.db2.gz BBYCWBJJPMPHKV-UHFFFAOYSA-N 1 2 293.374 3.350 20 30 CGEDLO C[C@@H](CC#N)C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000596688883 347501080 /nfs/dbraw/zinc/50/10/80/347501080.db2.gz GGUDIWRXOYDCEB-JTQLQIEISA-N 1 2 284.363 3.349 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)o1 ZINC000597218687 347555947 /nfs/dbraw/zinc/55/59/47/347555947.db2.gz RZNXYHTWMHCTKR-INIZCTEOSA-N 1 2 298.342 3.098 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)o1 ZINC000597218687 347555949 /nfs/dbraw/zinc/55/59/49/347555949.db2.gz RZNXYHTWMHCTKR-INIZCTEOSA-N 1 2 298.342 3.098 20 30 CGEDLO Cc1cc(Br)ccc1C[NH+]1CC(CC#N)C1 ZINC000597194282 347548433 /nfs/dbraw/zinc/54/84/33/347548433.db2.gz QNKYXIDPVSJCKK-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO C[C@]1(C#N)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599065223 347713476 /nfs/dbraw/zinc/71/34/76/347713476.db2.gz IWNBGMYMGBDIGN-MRXNPFEDSA-N 1 2 296.330 3.273 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C)c(C#N)c2)n1 ZINC000599415684 347743113 /nfs/dbraw/zinc/74/31/13/347743113.db2.gz BOAZPPXOGOHPSU-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C)c(C#N)c2)n1 ZINC000599415684 347743116 /nfs/dbraw/zinc/74/31/16/347743116.db2.gz BOAZPPXOGOHPSU-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1coc(-c2ccccc2F)n1 ZINC000599436501 347745298 /nfs/dbraw/zinc/74/52/98/347745298.db2.gz GZWGBOFVMBFTCN-LLVKDONJSA-N 1 2 273.311 3.263 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000600111956 347780429 /nfs/dbraw/zinc/78/04/29/347780429.db2.gz HOAOJLLLBRLYBJ-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000600111956 347780430 /nfs/dbraw/zinc/78/04/30/347780430.db2.gz HOAOJLLLBRLYBJ-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC000599642338 347761431 /nfs/dbraw/zinc/76/14/31/347761431.db2.gz FLGUUBVNCGATTJ-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC000599642338 347761433 /nfs/dbraw/zinc/76/14/33/347761433.db2.gz FLGUUBVNCGATTJ-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CC[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H](C)C#N ZINC000602448988 347960317 /nfs/dbraw/zinc/96/03/17/347960317.db2.gz XLSPTYXZAMFLMG-LLVKDONJSA-N 1 2 289.329 3.495 20 30 CGEDLO CC[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H](C)C#N ZINC000602448988 347960321 /nfs/dbraw/zinc/96/03/21/347960321.db2.gz XLSPTYXZAMFLMG-LLVKDONJSA-N 1 2 289.329 3.495 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)n1 ZINC000602659448 348002735 /nfs/dbraw/zinc/00/27/35/348002735.db2.gz QHITZJIVUFFSBS-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)n1 ZINC000602659448 348002737 /nfs/dbraw/zinc/00/27/37/348002737.db2.gz QHITZJIVUFFSBS-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2cccc(C#N)n2)sc1C ZINC000602544918 347979065 /nfs/dbraw/zinc/97/90/65/347979065.db2.gz BZMKQVIZNOWZHO-UHFFFAOYSA-N 1 2 286.404 3.052 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000602882890 348041045 /nfs/dbraw/zinc/04/10/45/348041045.db2.gz VAOANSCMMLSGJH-HNNXBMFYSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000602882890 348041046 /nfs/dbraw/zinc/04/10/46/348041046.db2.gz VAOANSCMMLSGJH-HNNXBMFYSA-N 1 2 286.766 3.272 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980175 348050387 /nfs/dbraw/zinc/05/03/87/348050387.db2.gz MSYMHYRMLTZGTI-IAGOWNOFSA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980175 348050389 /nfs/dbraw/zinc/05/03/89/348050389.db2.gz MSYMHYRMLTZGTI-IAGOWNOFSA-N 1 2 292.386 3.268 20 30 CGEDLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000610345243 348376500 /nfs/dbraw/zinc/37/65/00/348376500.db2.gz YUVVLVNCTZZXBN-LBPRGKRZSA-N 1 2 276.343 3.285 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993576 348416804 /nfs/dbraw/zinc/41/68/04/348416804.db2.gz YKIZTQODFNHVHJ-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993576 348416807 /nfs/dbraw/zinc/41/68/07/348416807.db2.gz YKIZTQODFNHVHJ-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164481 348498372 /nfs/dbraw/zinc/49/83/72/348498372.db2.gz CPVFSNOCNFXFRH-KRWDZBQOSA-N 1 2 293.455 3.041 20 30 CGEDLO CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164481 348498375 /nfs/dbraw/zinc/49/83/75/348498375.db2.gz CPVFSNOCNFXFRH-KRWDZBQOSA-N 1 2 293.455 3.041 20 30 CGEDLO Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164539 348498392 /nfs/dbraw/zinc/49/83/92/348498392.db2.gz BROLDJZKTMODCY-KRWDZBQOSA-N 1 2 272.392 3.308 20 30 CGEDLO Cc1cccc(C)c1OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164539 348498395 /nfs/dbraw/zinc/49/83/95/348498395.db2.gz BROLDJZKTMODCY-KRWDZBQOSA-N 1 2 272.392 3.308 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000612164925 348499411 /nfs/dbraw/zinc/49/94/11/348499411.db2.gz JDFXWOLJEDCQET-GOSISDBHSA-N 1 2 292.386 3.269 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000612164925 348499415 /nfs/dbraw/zinc/49/94/15/348499415.db2.gz JDFXWOLJEDCQET-GOSISDBHSA-N 1 2 292.386 3.269 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000612405937 348516549 /nfs/dbraw/zinc/51/65/49/348516549.db2.gz FGYMCLKPQOKOLE-KRWDZBQOSA-N 1 2 298.365 3.341 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000612405937 348516554 /nfs/dbraw/zinc/51/65/54/348516554.db2.gz FGYMCLKPQOKOLE-KRWDZBQOSA-N 1 2 298.365 3.341 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000612406766 348517334 /nfs/dbraw/zinc/51/73/34/348517334.db2.gz SRZBFVXMNJYOKU-ZENLRNHISA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000612406766 348517338 /nfs/dbraw/zinc/51/73/38/348517338.db2.gz SRZBFVXMNJYOKU-ZENLRNHISA-N 1 2 258.340 3.465 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000612406366 348517602 /nfs/dbraw/zinc/51/76/02/348517602.db2.gz KKBIKQXTKMEVCL-QGZVFWFLSA-N 1 2 265.360 3.360 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000612406366 348517603 /nfs/dbraw/zinc/51/76/03/348517603.db2.gz KKBIKQXTKMEVCL-QGZVFWFLSA-N 1 2 265.360 3.360 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000612585693 348530636 /nfs/dbraw/zinc/53/06/36/348530636.db2.gz PFPBRUMOOHHTCF-UHFFFAOYSA-N 1 2 275.371 3.065 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000614400797 348673906 /nfs/dbraw/zinc/67/39/06/348673906.db2.gz GGJCTNVGWHUXJX-MRXNPFEDSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000614400797 348673908 /nfs/dbraw/zinc/67/39/08/348673908.db2.gz GGJCTNVGWHUXJX-MRXNPFEDSA-N 1 2 282.343 3.033 20 30 CGEDLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C#N)cc1F ZINC000358551198 233152701 /nfs/dbraw/zinc/15/27/01/233152701.db2.gz ACBAFRFGDICJRC-LBPRGKRZSA-N 1 2 294.333 3.196 20 30 CGEDLO C=CCCC1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCC1 ZINC000617419022 348960163 /nfs/dbraw/zinc/96/01/63/348960163.db2.gz TVYMKDXJAODURC-CQSZACIVSA-N 1 2 289.423 3.231 20 30 CGEDLO C=CCCC1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1 ZINC000617419022 348960165 /nfs/dbraw/zinc/96/01/65/348960165.db2.gz TVYMKDXJAODURC-CQSZACIVSA-N 1 2 289.423 3.231 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617484071 348963173 /nfs/dbraw/zinc/96/31/73/348963173.db2.gz NKWRHUNVAAEEEL-UHFFFAOYSA-N 1 2 299.418 3.066 20 30 CGEDLO CCOc1c(Cl)cccc1C[NH2+]CC(C)(C)C#N ZINC000618819835 349157563 /nfs/dbraw/zinc/15/75/63/349157563.db2.gz RPSNYBWBUATTTO-UHFFFAOYSA-N 1 2 266.772 3.378 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000619286418 349227573 /nfs/dbraw/zinc/22/75/73/349227573.db2.gz MKNMFBOYVIRMKM-STQMWFEESA-N 1 2 280.375 3.035 20 30 CGEDLO COc1ccc(C#N)cc1NCCCc1ccc(C)[nH+]c1 ZINC000619428490 349249020 /nfs/dbraw/zinc/24/90/20/349249020.db2.gz IDYSBYHIWPYKRF-UHFFFAOYSA-N 1 2 281.359 3.315 20 30 CGEDLO C=C[C@@H]([NH2+]CC1(c2cccc(C)c2)CCCC1)C(=O)OC ZINC000619701338 349276350 /nfs/dbraw/zinc/27/63/50/349276350.db2.gz GEWUJAUZDFZXIW-MRXNPFEDSA-N 1 2 287.403 3.124 20 30 CGEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)OC ZINC000619703494 349276987 /nfs/dbraw/zinc/27/69/87/349276987.db2.gz MARSHIAKUUDBNL-XHSDSOJGSA-N 1 2 273.376 3.030 20 30 CGEDLO C=CC[C@H]1CC[N@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000625702309 350200108 /nfs/dbraw/zinc/20/01/08/350200108.db2.gz XDCXUQKLEZAMHU-HNNXBMFYSA-N 1 2 283.375 3.058 20 30 CGEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(Cc3ccccc3)n2)C1 ZINC000625702309 350200111 /nfs/dbraw/zinc/20/01/11/350200111.db2.gz XDCXUQKLEZAMHU-HNNXBMFYSA-N 1 2 283.375 3.058 20 30 CGEDLO C#CCCCCC(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000271410098 191120911 /nfs/dbraw/zinc/12/09/11/191120911.db2.gz JZVPROSKUMAMNF-UHFFFAOYSA-N 1 2 299.349 3.276 20 30 CGEDLO C=C1CCN(c2[nH+]c(C(C)C)nc3[nH]ccc32)CC1 ZINC000631112405 350958330 /nfs/dbraw/zinc/95/83/30/350958330.db2.gz VNHYSJZTBOJLOK-UHFFFAOYSA-N 1 2 256.353 3.238 20 30 CGEDLO C=CC1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631221775 350995516 /nfs/dbraw/zinc/99/55/16/350995516.db2.gz JKHHZTCLBZNERT-UHFFFAOYSA-N 1 2 281.359 3.115 20 30 CGEDLO C=CCC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCC1 ZINC000636205533 351729867 /nfs/dbraw/zinc/72/98/67/351729867.db2.gz WKTBVXXMMIQYCS-HNNXBMFYSA-N 1 2 289.423 3.475 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C)s1 ZINC000271447132 191142340 /nfs/dbraw/zinc/14/23/40/191142340.db2.gz RCZHOIFEWSXQJD-UHFFFAOYSA-N 1 2 273.405 3.077 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C)s1 ZINC000271447132 191142341 /nfs/dbraw/zinc/14/23/41/191142341.db2.gz RCZHOIFEWSXQJD-UHFFFAOYSA-N 1 2 273.405 3.077 20 30 CGEDLO CC(C)(CCC#N)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000158127041 188358418 /nfs/dbraw/zinc/35/84/18/188358418.db2.gz UCFOTRSBZTWBIJ-UHFFFAOYSA-N 1 2 272.396 3.424 20 30 CGEDLO Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])cc2C#N)c[nH+]1 ZINC000413320108 235268314 /nfs/dbraw/zinc/26/83/14/235268314.db2.gz PCFIKGZPVSJHSP-UHFFFAOYSA-N 1 2 296.330 3.399 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000177250775 283152175 /nfs/dbraw/zinc/15/21/75/283152175.db2.gz GEXULMDZZGROSJ-GFCCVEGCSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000177250775 283152177 /nfs/dbraw/zinc/15/21/77/283152177.db2.gz GEXULMDZZGROSJ-GFCCVEGCSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)o1 ZINC000124812607 138378091 /nfs/dbraw/zinc/37/80/91/138378091.db2.gz GYIBJMJSQJDDPH-UHFFFAOYSA-N 1 2 285.328 3.158 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C2CC2)no1 ZINC000425543883 236258562 /nfs/dbraw/zinc/25/85/62/236258562.db2.gz ZUEQNVIBXAYBMS-LLVKDONJSA-N 1 2 282.347 3.012 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C2CC2)no1 ZINC000425543883 236258563 /nfs/dbraw/zinc/25/85/63/236258563.db2.gz ZUEQNVIBXAYBMS-LLVKDONJSA-N 1 2 282.347 3.012 20 30 CGEDLO Cc1cc([NH+](C)C)ccc1Nc1ncccc1C#N ZINC000301541894 201059423 /nfs/dbraw/zinc/05/94/23/201059423.db2.gz OFWOQVCCRBEGHM-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO N#Cc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)nn1 ZINC000301846603 201228987 /nfs/dbraw/zinc/22/89/87/201228987.db2.gz UHLVJCGQYPFCDZ-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000119972381 370728077 /nfs/dbraw/zinc/72/80/77/370728077.db2.gz LYOZTWHSTBXKGZ-CYBMUJFWSA-N 1 2 264.394 3.061 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000119972381 370728082 /nfs/dbraw/zinc/72/80/82/370728082.db2.gz LYOZTWHSTBXKGZ-CYBMUJFWSA-N 1 2 264.394 3.061 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000275329984 193002715 /nfs/dbraw/zinc/00/27/15/193002715.db2.gz MVKZANLYSXACDR-ZETCQYMHSA-N 1 2 293.567 3.386 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1nc2ccccc2s1 ZINC000120788813 370800414 /nfs/dbraw/zinc/80/04/14/370800414.db2.gz WILHKBAKFFHYMA-UHFFFAOYSA-N 1 2 283.356 3.393 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1nc2ccccc2s1 ZINC000120788813 370800416 /nfs/dbraw/zinc/80/04/16/370800416.db2.gz WILHKBAKFFHYMA-UHFFFAOYSA-N 1 2 283.356 3.393 20 30 CGEDLO CCN(CC)c1ccc(CNc2nccc(C)c2C#N)c[nH+]1 ZINC000343484854 216792294 /nfs/dbraw/zinc/79/22/94/216792294.db2.gz ZYZNHFIOWYSCRR-UHFFFAOYSA-N 1 2 295.390 3.115 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000121844130 370901465 /nfs/dbraw/zinc/90/14/65/370901465.db2.gz JOLVANWBMPZTNA-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO CCCn1c2ccccc2nc1C[NH+]1CCC(C#N)CC1 ZINC000123696933 370915214 /nfs/dbraw/zinc/91/52/14/370915214.db2.gz YAFYSCABPSCBMI-UHFFFAOYSA-N 1 2 282.391 3.182 20 30 CGEDLO COc1c(C)c[nH+]c(COc2cccc(C#N)c2)c1C ZINC000019844429 368773235 /nfs/dbraw/zinc/77/32/35/368773235.db2.gz PPNSAYZJGSNEKZ-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO N#Cc1ccc(Cn2c[nH+]c3cc(F)c(F)cc32)cc1 ZINC000024380193 368831009 /nfs/dbraw/zinc/83/10/09/368831009.db2.gz CAMYKJGDBWDJDE-UHFFFAOYSA-N 1 2 269.254 3.234 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Br)cc1 ZINC000042315681 369213689 /nfs/dbraw/zinc/21/36/89/369213689.db2.gz HVTOMIYQYQKCGN-JTQLQIEISA-N 1 2 267.170 3.183 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042315681 369213693 /nfs/dbraw/zinc/21/36/93/369213693.db2.gz HVTOMIYQYQKCGN-JTQLQIEISA-N 1 2 267.170 3.183 20 30 CGEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000045796860 369286352 /nfs/dbraw/zinc/28/63/52/369286352.db2.gz LNTJDZOKJYOUSS-UHFFFAOYSA-N 1 2 269.348 3.135 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)Cc1ccccc1 ZINC000045796860 369286356 /nfs/dbraw/zinc/28/63/56/369286356.db2.gz LNTJDZOKJYOUSS-UHFFFAOYSA-N 1 2 269.348 3.135 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(C#N)c(Cl)c1 ZINC000051921439 369456478 /nfs/dbraw/zinc/45/64/78/369456478.db2.gz AAURHKVZZUHYGZ-UHFFFAOYSA-N 1 2 260.728 3.040 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OC)c1OC(C)C ZINC000127655242 370955223 /nfs/dbraw/zinc/95/52/23/370955223.db2.gz HYLDTIDGWUONCJ-UHFFFAOYSA-N 1 2 276.380 3.218 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OC)c1OC(C)C ZINC000127655242 370955229 /nfs/dbraw/zinc/95/52/29/370955229.db2.gz HYLDTIDGWUONCJ-UHFFFAOYSA-N 1 2 276.380 3.218 20 30 CGEDLO N#Cc1nccnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000061559342 369601348 /nfs/dbraw/zinc/60/13/48/369601348.db2.gz WJBVUVGLHWJSKC-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)Nc1ccccc1 ZINC000072692995 369834715 /nfs/dbraw/zinc/83/47/15/369834715.db2.gz NQPNQVXTUQHBJF-UHFFFAOYSA-N 1 2 287.407 3.277 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)Nc1ccccc1 ZINC000072692995 369834718 /nfs/dbraw/zinc/83/47/18/369834718.db2.gz NQPNQVXTUQHBJF-UHFFFAOYSA-N 1 2 287.407 3.277 20 30 CGEDLO CC[N@@H+](Cc1cnc(C2CCC2)s1)C[C@H](C)C#N ZINC000091984043 370085237 /nfs/dbraw/zinc/08/52/37/370085237.db2.gz GURXOHIWKTWZME-LLVKDONJSA-N 1 2 263.410 3.392 20 30 CGEDLO CC[N@H+](Cc1cnc(C2CCC2)s1)C[C@H](C)C#N ZINC000091984043 370085242 /nfs/dbraw/zinc/08/52/42/370085242.db2.gz GURXOHIWKTWZME-LLVKDONJSA-N 1 2 263.410 3.392 20 30 CGEDLO COc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101245 370109873 /nfs/dbraw/zinc/10/98/73/370109873.db2.gz MMPRZQLLYTVEOV-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO COc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101245 370109874 /nfs/dbraw/zinc/10/98/74/370109874.db2.gz MMPRZQLLYTVEOV-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO Cc1cccc2[nH+]c(CN(CCC#N)CC(C)(C)C)cn21 ZINC000111250426 370394956 /nfs/dbraw/zinc/39/49/56/370394956.db2.gz HMIJZJJNDSTTOA-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccc(OC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000116994206 370576443 /nfs/dbraw/zinc/57/64/43/370576443.db2.gz FQIRYWZAUTYCEZ-INIZCTEOSA-N 1 2 297.402 3.282 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)[C@H](C)CC#N)cc(=O)oc2c1C ZINC000129559915 370993470 /nfs/dbraw/zinc/99/34/70/370993470.db2.gz RCGQBHWRLTWONZ-GFCCVEGCSA-N 1 2 284.359 3.144 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)[C@H](C)CC#N)cc(=O)oc2c1C ZINC000129559915 370993475 /nfs/dbraw/zinc/99/34/75/370993475.db2.gz RCGQBHWRLTWONZ-GFCCVEGCSA-N 1 2 284.359 3.144 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)[C@H](C)C2CC2)c(OC)c1 ZINC000118989853 370633634 /nfs/dbraw/zinc/63/36/34/370633634.db2.gz YVOVFKDXQPBYOZ-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)[C@H](C)C2CC2)c(OC)c1 ZINC000118989853 370633638 /nfs/dbraw/zinc/63/36/38/370633638.db2.gz YVOVFKDXQPBYOZ-CYBMUJFWSA-N 1 2 288.391 3.218 20 30 CGEDLO C[N@H+](Cc1ccccc1F)Cc1cccc(C#N)c1F ZINC000219517701 376201827 /nfs/dbraw/zinc/20/18/27/376201827.db2.gz PZUWZJIDNKJNHZ-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccccc1F)Cc1cccc(C#N)c1F ZINC000219517701 376201832 /nfs/dbraw/zinc/20/18/32/376201832.db2.gz PZUWZJIDNKJNHZ-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO Cn1c2ccc(NC(=O)C(C)(C)C#N)cc2[nH+]c1C(C)(C)C ZINC000132497162 371178819 /nfs/dbraw/zinc/17/88/19/371178819.db2.gz VWWVSJHSNNRDSS-UHFFFAOYSA-N 1 2 298.390 3.359 20 30 CGEDLO C=CCOc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000337308753 376206579 /nfs/dbraw/zinc/20/65/79/376206579.db2.gz TTWOYBUCZIYJOR-UHFFFAOYSA-N 1 2 253.292 3.139 20 30 CGEDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2C#N)[nH+]1 ZINC000286708309 371542407 /nfs/dbraw/zinc/54/24/07/371542407.db2.gz YZRYUKFAHNRCJT-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C=CC[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000150888315 371545910 /nfs/dbraw/zinc/54/59/10/371545910.db2.gz GGCVTUKLZBVPID-LBPRGKRZSA-N 1 2 284.363 3.173 20 30 CGEDLO C#CC[N@@H+](Cc1nc([C@H](C)SCC)no1)C1CCCC1 ZINC000151820231 371638124 /nfs/dbraw/zinc/63/81/24/371638124.db2.gz CISVKNJVLRDBNB-LBPRGKRZSA-N 1 2 293.436 3.262 20 30 CGEDLO C#CC[N@H+](Cc1nc([C@H](C)SCC)no1)C1CCCC1 ZINC000151820231 371638133 /nfs/dbraw/zinc/63/81/33/371638133.db2.gz CISVKNJVLRDBNB-LBPRGKRZSA-N 1 2 293.436 3.262 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000288962526 371748894 /nfs/dbraw/zinc/74/88/94/371748894.db2.gz LITRFGRYVBPMMY-GFCCVEGCSA-N 1 2 295.346 3.387 20 30 CGEDLO Cc1ccc(N[C@H](C)c2ccc(OCC#N)cc2)c[nH+]1 ZINC000154253181 371830389 /nfs/dbraw/zinc/83/03/89/371830389.db2.gz YZOSQAWMBYMAHN-CYBMUJFWSA-N 1 2 267.332 3.466 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000157658168 372030600 /nfs/dbraw/zinc/03/06/00/372030600.db2.gz JWINBRNQGGPUHY-WFASDCNBSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000157658168 372030606 /nfs/dbraw/zinc/03/06/06/372030606.db2.gz JWINBRNQGGPUHY-WFASDCNBSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1ccc(O)c(C[N@H+](CCC#N)Cc2ccco2)c1 ZINC000159613438 372160831 /nfs/dbraw/zinc/16/08/31/372160831.db2.gz ZZAZRFNBKMKNGR-UHFFFAOYSA-N 1 2 270.332 3.210 20 30 CGEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)Cc2ccco2)c1 ZINC000159613438 372160837 /nfs/dbraw/zinc/16/08/37/372160837.db2.gz ZZAZRFNBKMKNGR-UHFFFAOYSA-N 1 2 270.332 3.210 20 30 CGEDLO C[C@@H]1SCC[N@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000160502167 372253358 /nfs/dbraw/zinc/25/33/58/372253358.db2.gz LEKQEVCFTZCURV-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1SCC[N@@H+](Cc2cc(F)ccc2C#N)[C@H]1C ZINC000160502167 372253363 /nfs/dbraw/zinc/25/33/63/372253363.db2.gz LEKQEVCFTZCURV-QWRGUYRKSA-N 1 2 264.369 3.023 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293708374 372457242 /nfs/dbraw/zinc/45/72/42/372457242.db2.gz MPUDBDBRIQKEOH-AWEZNQCLSA-N 1 2 288.370 3.225 20 30 CGEDLO C=C[C@H]1CCCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431424036 372470563 /nfs/dbraw/zinc/47/05/63/372470563.db2.gz XNXNFLBHXAFZBE-LBPRGKRZSA-N 1 2 259.328 3.257 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432745515 372571943 /nfs/dbraw/zinc/57/19/43/372571943.db2.gz UPBFFJYJAHNWEK-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432745515 372571946 /nfs/dbraw/zinc/57/19/46/372571946.db2.gz UPBFFJYJAHNWEK-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO Fc1cccc2c1OCC[N@H+](CC#Cc1ccccc1)C2 ZINC000434626274 372696527 /nfs/dbraw/zinc/69/65/27/372696527.db2.gz YFQWGGOVIKAMJM-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO Fc1cccc2c1OCC[N@@H+](CC#Cc1ccccc1)C2 ZINC000434626274 372696530 /nfs/dbraw/zinc/69/65/30/372696530.db2.gz YFQWGGOVIKAMJM-UHFFFAOYSA-N 1 2 281.330 3.072 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000435603577 372784996 /nfs/dbraw/zinc/78/49/96/372784996.db2.gz KBNOBMFGVMEDLX-PBHICJAKSA-N 1 2 268.360 3.050 20 30 CGEDLO C[C@@H]1CSCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441151243 372997121 /nfs/dbraw/zinc/99/71/21/372997121.db2.gz HHTOWNSNLRKBRB-GFCCVEGCSA-N 1 2 265.809 3.129 20 30 CGEDLO C[C@@H]1CSCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441151243 372997130 /nfs/dbraw/zinc/99/71/30/372997130.db2.gz HHTOWNSNLRKBRB-GFCCVEGCSA-N 1 2 265.809 3.129 20 30 CGEDLO Cc1ccn2c(/C=C/c3ccc(C#N)cn3)c[nH+]c2c1 ZINC000173017264 373078904 /nfs/dbraw/zinc/07/89/04/373078904.db2.gz KVPRTWLGRQAVNH-SNAWJCMRSA-N 1 2 260.300 3.080 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353591367 220175627 /nfs/dbraw/zinc/17/56/27/220175627.db2.gz KJTXMXHLMQMDFL-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353591367 220175630 /nfs/dbraw/zinc/17/56/30/220175630.db2.gz KJTXMXHLMQMDFL-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)[C@@H](C)O1 ZINC000446076923 373319019 /nfs/dbraw/zinc/31/90/19/373319019.db2.gz INKGHXOFDRFOPG-HZSPNIEDSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)[C@@H](C)O1 ZINC000446076923 373319026 /nfs/dbraw/zinc/31/90/26/373319026.db2.gz INKGHXOFDRFOPG-HZSPNIEDSA-N 1 2 277.795 3.189 20 30 CGEDLO N#C[C@@H]1[N@H+](CC2CCCCC2)CCC[C@@]12CCCCO2 ZINC000447912810 373521381 /nfs/dbraw/zinc/52/13/81/373521381.db2.gz KVWLMNOWPVKCHK-IRXDYDNUSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@@H]1[N@@H+](CC2CCCCC2)CCC[C@@]12CCCCO2 ZINC000447912810 373521391 /nfs/dbraw/zinc/52/13/91/373521391.db2.gz KVWLMNOWPVKCHK-IRXDYDNUSA-N 1 2 276.424 3.494 20 30 CGEDLO C=CCC1(C(=O)Nc2cc[nH+]cc2C)CCCCC1 ZINC000448933664 373649512 /nfs/dbraw/zinc/64/95/12/373649512.db2.gz RQFYURHLYQJBCR-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449335713 373680928 /nfs/dbraw/zinc/68/09/28/373680928.db2.gz JWRTYWZFFLPIAX-LBPRGKRZSA-N 1 2 264.319 3.470 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449335713 373680937 /nfs/dbraw/zinc/68/09/37/373680937.db2.gz JWRTYWZFFLPIAX-LBPRGKRZSA-N 1 2 264.319 3.470 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCCNc1cccc(C#N)n1 ZINC000301271735 373722974 /nfs/dbraw/zinc/72/29/74/373722974.db2.gz KDHVTKLYHZDNKQ-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000449521590 373819901 /nfs/dbraw/zinc/81/99/01/373819901.db2.gz SKMNAWOEAHLNGN-KFWWJZLASA-N 1 2 281.346 3.186 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3cccc(C#N)c3C)n2c1 ZINC000181455852 374125023 /nfs/dbraw/zinc/12/50/23/374125023.db2.gz DWESSMSAHTXAOY-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/CCOC(C)C)c(O)c1 ZINC000182166723 374227934 /nfs/dbraw/zinc/22/79/34/374227934.db2.gz KIZIXHCEEQLWNZ-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2nc(C)cs2)c1 ZINC000182164371 374227989 /nfs/dbraw/zinc/22/79/89/374227989.db2.gz CXMQRFSDIBMZTA-LYQMGENXSA-N 1 2 290.388 3.388 20 30 CGEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352458916 296222772 /nfs/dbraw/zinc/22/27/72/296222772.db2.gz QOEZXXDOUAVERM-JTQLQIEISA-N 1 2 268.282 3.353 20 30 CGEDLO CCCCOc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000468397776 374981687 /nfs/dbraw/zinc/98/16/87/374981687.db2.gz QDUKRIJGBYMMLI-AWEZNQCLSA-N 1 2 260.381 3.457 20 30 CGEDLO CCCCOc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000468397776 374981695 /nfs/dbraw/zinc/98/16/95/374981695.db2.gz QDUKRIJGBYMMLI-AWEZNQCLSA-N 1 2 260.381 3.457 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccs1 ZINC000187698076 375075792 /nfs/dbraw/zinc/07/57/92/375075792.db2.gz RFXGUZCOOMASIU-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccs1 ZINC000187698076 375075799 /nfs/dbraw/zinc/07/57/99/375075799.db2.gz RFXGUZCOOMASIU-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO Cc1cc(N2CC(C)(CC(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335079787 375113234 /nfs/dbraw/zinc/11/32/34/375113234.db2.gz FPROMQFVABFHRN-UHFFFAOYSA-N 1 2 269.270 3.040 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000484064476 375185437 /nfs/dbraw/zinc/18/54/37/375185437.db2.gz IOHXFBXKTNDQTM-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OCC)c1cccc(Cl)c1 ZINC000484064476 375185440 /nfs/dbraw/zinc/18/54/40/375185440.db2.gz IOHXFBXKTNDQTM-CQSZACIVSA-N 1 2 281.783 3.452 20 30 CGEDLO Cc1nc(Sc2[nH+]cc3ccccn32)ccc1C#N ZINC000487934797 375286657 /nfs/dbraw/zinc/28/66/57/375286657.db2.gz PLAKWPQJGAIHDW-UHFFFAOYSA-N 1 2 266.329 3.061 20 30 CGEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000191558560 375640859 /nfs/dbraw/zinc/64/08/59/375640859.db2.gz MHNMBDGHXLKFIJ-UHFFFAOYSA-N 1 2 297.337 3.018 20 30 CGEDLO N#Cc1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000336160002 375736588 /nfs/dbraw/zinc/73/65/88/375736588.db2.gz AKMYXJPZQXLBAQ-AWEZNQCLSA-N 1 2 286.766 3.272 20 30 CGEDLO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)c(F)cc1OC ZINC000529590192 375929787 /nfs/dbraw/zinc/92/97/87/375929787.db2.gz RAZGDVXQXUXUEO-UHFFFAOYSA-N 1 2 294.370 3.215 20 30 CGEDLO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)c(F)cc1OC ZINC000529590192 375929792 /nfs/dbraw/zinc/92/97/92/375929792.db2.gz RAZGDVXQXUXUEO-UHFFFAOYSA-N 1 2 294.370 3.215 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)cc1F ZINC000530371972 375941201 /nfs/dbraw/zinc/94/12/01/375941201.db2.gz BLBZXHLESXSENK-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO CCn1cc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000531416346 375945959 /nfs/dbraw/zinc/94/59/59/375945959.db2.gz HOGGWRFNVTXAFE-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CCn1cc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cn1 ZINC000531416346 375945971 /nfs/dbraw/zinc/94/59/71/375945971.db2.gz HOGGWRFNVTXAFE-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000337080823 376074138 /nfs/dbraw/zinc/07/41/38/376074138.db2.gz XQFUEGJZJQXAGJ-QWHCGFSZSA-N 1 2 289.423 3.109 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000337080823 376074145 /nfs/dbraw/zinc/07/41/45/376074145.db2.gz XQFUEGJZJQXAGJ-QWHCGFSZSA-N 1 2 289.423 3.109 20 30 CGEDLO COc1ccc(N[C@H](C)c2ccc(C#N)cc2)[nH+]c1 ZINC000225833838 376328318 /nfs/dbraw/zinc/32/83/18/376328318.db2.gz YUCCYXSWKRQLEM-LLVKDONJSA-N 1 2 253.305 3.135 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccncc1F ZINC000338358027 376348638 /nfs/dbraw/zinc/34/86/38/376348638.db2.gz QTUHOEDWRZMHOL-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(F)c1F ZINC000562044576 377268558 /nfs/dbraw/zinc/26/85/58/377268558.db2.gz IGVKBGRZQKXLBQ-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC1(C#N)CCC1 ZINC000562533445 377325840 /nfs/dbraw/zinc/32/58/40/377325840.db2.gz YVPOQZPEMOGLAU-GFCCVEGCSA-N 1 2 258.340 3.439 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC1(C#N)CCC1 ZINC000562533445 377325842 /nfs/dbraw/zinc/32/58/42/377325842.db2.gz YVPOQZPEMOGLAU-GFCCVEGCSA-N 1 2 258.340 3.439 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC000567174984 377503767 /nfs/dbraw/zinc/50/37/67/377503767.db2.gz QQVZWEDUMKHFSU-UHFFFAOYSA-N 1 2 269.373 3.203 20 30 CGEDLO N#Cc1nccc(Nc2ccc([NH2+]CC3CCCC3)cc2)n1 ZINC000563419893 377461627 /nfs/dbraw/zinc/46/16/27/377461627.db2.gz DGGQTOXMBAANFE-UHFFFAOYSA-N 1 2 293.374 3.116 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000567624537 377508427 /nfs/dbraw/zinc/50/84/27/377508427.db2.gz RPPXLYQWMYZJLQ-NSHDSACASA-N 1 2 267.716 3.030 20 30 CGEDLO COc1cccc2c1[nH+]cc(C)c2N1CCC(F)(C#N)CC1 ZINC000343239550 377937624 /nfs/dbraw/zinc/93/76/24/377937624.db2.gz QSTXDEXEQALYOY-UHFFFAOYSA-N 1 2 299.349 3.384 20 30 CGEDLO C=C1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000264435953 377985942 /nfs/dbraw/zinc/98/59/42/377985942.db2.gz DQTGZDAQJSGQKR-GFCCVEGCSA-N 1 2 269.348 3.048 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2ccccn2)nc1)C1CC1 ZINC000579465585 378162319 /nfs/dbraw/zinc/16/23/19/378162319.db2.gz QACIDIUJCXHUFA-AWEZNQCLSA-N 1 2 292.386 3.268 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2ccccn2)nc1)C1CC1 ZINC000579465585 378162324 /nfs/dbraw/zinc/16/23/24/378162324.db2.gz QACIDIUJCXHUFA-AWEZNQCLSA-N 1 2 292.386 3.268 20 30 CGEDLO N#CC1(CC[N@@H+]2CCC[C@@H]2c2ncon2)CCCCC1 ZINC000580406072 378247834 /nfs/dbraw/zinc/24/78/34/378247834.db2.gz PSLVSVSWHAQABR-CYBMUJFWSA-N 1 2 274.368 3.071 20 30 CGEDLO N#CC1(CC[N@H+]2CCC[C@@H]2c2ncon2)CCCCC1 ZINC000580406072 378247837 /nfs/dbraw/zinc/24/78/37/378247837.db2.gz PSLVSVSWHAQABR-CYBMUJFWSA-N 1 2 274.368 3.071 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000271060558 378443729 /nfs/dbraw/zinc/44/37/29/378443729.db2.gz SJIZAOOUDQHEJW-UHFFFAOYSA-N 1 2 296.292 3.261 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000271060558 378443731 /nfs/dbraw/zinc/44/37/31/378443731.db2.gz SJIZAOOUDQHEJW-UHFFFAOYSA-N 1 2 296.292 3.261 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc2ccccc2c1)CC1CC1 ZINC000271162502 378466989 /nfs/dbraw/zinc/46/69/89/378466989.db2.gz LVWYCKXCBXCXHO-UHFFFAOYSA-N 1 2 265.360 3.360 20 30 CGEDLO N#CCC[N@H+](Cc1cnc2ccccc2c1)CC1CC1 ZINC000271162502 378466992 /nfs/dbraw/zinc/46/69/92/378466992.db2.gz LVWYCKXCBXCXHO-UHFFFAOYSA-N 1 2 265.360 3.360 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc(OC)s1 ZINC000637872395 378609296 /nfs/dbraw/zinc/60/92/96/378609296.db2.gz YSJJWBUZLCHWFX-UHFFFAOYSA-N 1 2 280.418 3.401 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc(OC)s1 ZINC000637872395 378609300 /nfs/dbraw/zinc/60/93/00/378609300.db2.gz YSJJWBUZLCHWFX-UHFFFAOYSA-N 1 2 280.418 3.401 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2nccs2)ccc1F ZINC000370432388 379018997 /nfs/dbraw/zinc/01/89/97/379018997.db2.gz DSEOWXWBTZSDDE-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2nccs2)ccc1F ZINC000370432388 379019004 /nfs/dbraw/zinc/01/90/04/379019004.db2.gz DSEOWXWBTZSDDE-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000372591877 379196622 /nfs/dbraw/zinc/19/66/22/379196622.db2.gz INJTYQHIPRBNBT-STQMWFEESA-N 1 2 268.282 3.455 20 30 CGEDLO C=CCCCN(C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000373543030 379298607 /nfs/dbraw/zinc/29/86/07/379298607.db2.gz ZMHPXPAUYJVDQZ-ZDUSSCGKSA-N 1 2 289.423 3.063 20 30 CGEDLO C=CCCCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000373543030 379298611 /nfs/dbraw/zinc/29/86/11/379298611.db2.gz ZMHPXPAUYJVDQZ-ZDUSSCGKSA-N 1 2 289.423 3.063 20 30 CGEDLO C=CC[N@H+](Cc1nc(CC2CC2)no1)Cc1ccccc1 ZINC000639440825 379388253 /nfs/dbraw/zinc/38/82/53/379388253.db2.gz YSPYUNSBIXFNDT-UHFFFAOYSA-N 1 2 283.375 3.210 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CC2CC2)no1)Cc1ccccc1 ZINC000639440825 379388259 /nfs/dbraw/zinc/38/82/59/379388259.db2.gz YSPYUNSBIXFNDT-UHFFFAOYSA-N 1 2 283.375 3.210 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000375842338 379514742 /nfs/dbraw/zinc/51/47/42/379514742.db2.gz VMCBPGKBJIVLHT-JKSUJKDBSA-N 1 2 265.360 3.141 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000352483336 379831866 /nfs/dbraw/zinc/83/18/66/379831866.db2.gz ISFMARXURTWDJP-UHFFFAOYSA-N 1 2 258.749 3.229 20 30 CGEDLO Cc1cc(C)c(CNc2nc3c(cc2C#N)CCCC3)c[nH+]1 ZINC000397010938 379924047 /nfs/dbraw/zinc/92/40/47/379924047.db2.gz MZWMUJLUGNXKAN-UHFFFAOYSA-N 1 2 292.386 3.456 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccn1 ZINC000352915534 380035368 /nfs/dbraw/zinc/03/53/68/380035368.db2.gz PTBMJHLNHOXCPG-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccn1 ZINC000352915534 380035372 /nfs/dbraw/zinc/03/53/72/380035372.db2.gz PTBMJHLNHOXCPG-UHFFFAOYSA-N 1 2 284.407 3.437 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000411318578 380141439 /nfs/dbraw/zinc/14/14/39/380141439.db2.gz DUIIWHXQBIWLBP-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000411318578 380141443 /nfs/dbraw/zinc/14/14/43/380141443.db2.gz DUIIWHXQBIWLBP-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000411424628 380146662 /nfs/dbraw/zinc/14/66/62/380146662.db2.gz WPIPNDSDAAHWQS-LBPRGKRZSA-N 1 2 253.349 3.218 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000411424628 380146665 /nfs/dbraw/zinc/14/66/65/380146665.db2.gz WPIPNDSDAAHWQS-LBPRGKRZSA-N 1 2 253.349 3.218 20 30 CGEDLO C[N@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccccc1 ZINC000411140533 380131374 /nfs/dbraw/zinc/13/13/74/380131374.db2.gz HOMBWEZKMSIHPZ-UHFFFAOYSA-N 1 2 299.418 3.421 20 30 CGEDLO C[N@@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccccc1 ZINC000411140533 380131390 /nfs/dbraw/zinc/13/13/90/380131390.db2.gz HOMBWEZKMSIHPZ-UHFFFAOYSA-N 1 2 299.418 3.421 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354025823 380286109 /nfs/dbraw/zinc/28/61/09/380286109.db2.gz JVVBBQFPYVOVES-AWEZNQCLSA-N 1 2 294.402 3.305 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354025823 380286118 /nfs/dbraw/zinc/28/61/18/380286118.db2.gz JVVBBQFPYVOVES-AWEZNQCLSA-N 1 2 294.402 3.305 20 30 CGEDLO CCn1cncc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000417789300 380679357 /nfs/dbraw/zinc/67/93/57/380679357.db2.gz VAFPVEHCSFBWGO-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cncc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000417789300 380679360 /nfs/dbraw/zinc/67/93/60/380679360.db2.gz VAFPVEHCSFBWGO-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1c[nH+]cc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000417789300 380679364 /nfs/dbraw/zinc/67/93/64/380679364.db2.gz VAFPVEHCSFBWGO-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO Cc1ccncc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000355607227 380725646 /nfs/dbraw/zinc/72/56/46/380725646.db2.gz NCKRYUCMOPCQGJ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000355607227 380725648 /nfs/dbraw/zinc/72/56/48/380725648.db2.gz NCKRYUCMOPCQGJ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000279339975 194391754 /nfs/dbraw/zinc/39/17/54/194391754.db2.gz UQLFQCVXUSXSPH-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000279339975 194391757 /nfs/dbraw/zinc/39/17/57/194391757.db2.gz UQLFQCVXUSXSPH-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000358284694 381300092 /nfs/dbraw/zinc/30/00/92/381300092.db2.gz XOYQHCKRYJHRMM-QWRGUYRKSA-N 1 2 263.410 3.050 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cc1Cl ZINC000358283393 381300289 /nfs/dbraw/zinc/30/02/89/381300289.db2.gz UYZKTRNGJNJENE-NSHDSACASA-N 1 2 252.745 3.130 20 30 CGEDLO Cc1ccncc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000361423230 381741888 /nfs/dbraw/zinc/74/18/88/381741888.db2.gz SPSZLTRWPVSYLK-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccncc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000361423230 381741894 /nfs/dbraw/zinc/74/18/94/381741894.db2.gz SPSZLTRWPVSYLK-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#Cc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000361442799 381749566 /nfs/dbraw/zinc/74/95/66/381749566.db2.gz LPTNOTBQZREAEV-UHFFFAOYSA-N 1 2 280.356 3.418 20 30 CGEDLO COc1cc(OCc2c(C)[nH+]c3ccccn32)ccc1C#N ZINC000436258935 533093783 /nfs/dbraw/zinc/09/37/83/533093783.db2.gz IVIKWRWBNHZZCK-UHFFFAOYSA-N 1 2 293.326 3.102 20 30 CGEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1F ZINC000353856098 220371009 /nfs/dbraw/zinc/37/10/09/220371009.db2.gz PEKGAODGIAWSJE-BDJLRTHQSA-N 1 2 298.365 3.233 20 30 CGEDLO COc1ccc([C@@H]2CCN(c3cc(C)[nH+]cc3C#N)C2)cc1 ZINC000425224780 533144986 /nfs/dbraw/zinc/14/49/86/533144986.db2.gz OSLZDMOERFFUIV-OAHLLOKOSA-N 1 2 293.370 3.264 20 30 CGEDLO Cc1cc(N2CC(C3CCCCC3)C2)c(C#N)c[nH+]1 ZINC000425268164 291930370 /nfs/dbraw/zinc/93/03/70/291930370.db2.gz NLFFEMNCVUGKHX-UHFFFAOYSA-N 1 2 255.365 3.278 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1Cl ZINC000194075779 533426897 /nfs/dbraw/zinc/42/68/97/533426897.db2.gz GSLDWOSFUBRLHI-NEPJUHHUSA-N 1 2 261.756 3.434 20 30 CGEDLO COc1ccc(CCCN(C)c2cc(C)[nH+]cc2C#N)cc1 ZINC000425213761 533470529 /nfs/dbraw/zinc/47/05/29/533470529.db2.gz ICHPUYYCWVQBDT-UHFFFAOYSA-N 1 2 295.386 3.339 20 30 CGEDLO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000093091171 392234720 /nfs/dbraw/zinc/23/47/20/392234720.db2.gz YDRFJVNRFLLDCV-AWEZNQCLSA-N 1 2 288.391 3.384 20 30 CGEDLO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC ZINC000093091171 392234725 /nfs/dbraw/zinc/23/47/25/392234725.db2.gz YDRFJVNRFLLDCV-AWEZNQCLSA-N 1 2 288.391 3.384 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H](C)c1cc(C)on1)c1ccccc1 ZINC000285042823 392316914 /nfs/dbraw/zinc/31/69/14/392316914.db2.gz IDLQUVVGYKBSHS-ZFWWWQNUSA-N 1 2 254.333 3.398 20 30 CGEDLO COc1ccc(CC[N@H+](CCC#N)Cc2ccco2)cc1 ZINC000096970534 392259287 /nfs/dbraw/zinc/25/92/87/392259287.db2.gz JRVNFRSQLMTFHD-UHFFFAOYSA-N 1 2 284.359 3.247 20 30 CGEDLO COc1ccc(CC[N@@H+](CCC#N)Cc2ccco2)cc1 ZINC000096970534 392259288 /nfs/dbraw/zinc/25/92/88/392259288.db2.gz JRVNFRSQLMTFHD-UHFFFAOYSA-N 1 2 284.359 3.247 20 30 CGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC#N ZINC000121092976 392409449 /nfs/dbraw/zinc/40/94/49/392409449.db2.gz DRBCYVMPAHIUHS-NSHDSACASA-N 1 2 251.399 3.481 20 30 CGEDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC#N ZINC000121092976 392409452 /nfs/dbraw/zinc/40/94/52/392409452.db2.gz DRBCYVMPAHIUHS-NSHDSACASA-N 1 2 251.399 3.481 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C)n1CCC ZINC000154710750 392536809 /nfs/dbraw/zinc/53/68/09/392536809.db2.gz QUYBFUZAKRIDOQ-UHFFFAOYSA-N 1 2 298.434 3.227 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C)n1CCC ZINC000154710750 392536815 /nfs/dbraw/zinc/53/68/15/392536815.db2.gz QUYBFUZAKRIDOQ-UHFFFAOYSA-N 1 2 298.434 3.227 20 30 CGEDLO O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329486117 392684264 /nfs/dbraw/zinc/68/42/64/392684264.db2.gz XHVRCFGBLFRMDT-CYBMUJFWSA-N 1 2 296.374 3.008 20 30 CGEDLO Cc1ncc(C[N@@H+](CCC#N)CCC(C)C)s1 ZINC000173545809 392626834 /nfs/dbraw/zinc/62/68/34/392626834.db2.gz FRLVTCBIEKHQMV-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO Cc1ncc(C[N@H+](CCC#N)CCC(C)C)s1 ZINC000173545809 392626836 /nfs/dbraw/zinc/62/68/36/392626836.db2.gz FRLVTCBIEKHQMV-UHFFFAOYSA-N 1 2 251.399 3.213 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000334388688 392724097 /nfs/dbraw/zinc/72/40/97/392724097.db2.gz RBTMTNBNHCGSNF-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000334388688 392724104 /nfs/dbraw/zinc/72/41/04/392724104.db2.gz RBTMTNBNHCGSNF-AWEZNQCLSA-N 1 2 287.363 3.491 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000181333596 392728119 /nfs/dbraw/zinc/72/81/19/392728119.db2.gz PAQHGYIKROTGKN-ZDUSSCGKSA-N 1 2 271.364 3.229 20 30 CGEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000181333596 392728125 /nfs/dbraw/zinc/72/81/25/392728125.db2.gz PAQHGYIKROTGKN-ZDUSSCGKSA-N 1 2 271.364 3.229 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000187710197 392792379 /nfs/dbraw/zinc/79/23/79/392792379.db2.gz OTIGPIRBKSAGPF-DYVFJYSZSA-N 1 2 282.343 3.286 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000187710197 392792390 /nfs/dbraw/zinc/79/23/90/392792390.db2.gz OTIGPIRBKSAGPF-DYVFJYSZSA-N 1 2 282.343 3.286 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)c(Cl)c1 ZINC000516463019 392864141 /nfs/dbraw/zinc/86/41/41/392864141.db2.gz CUOYRSUXKSEODA-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)c(Cl)c1 ZINC000516463019 392864145 /nfs/dbraw/zinc/86/41/45/392864145.db2.gz CUOYRSUXKSEODA-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C[N@H+](Cc1nccn1Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339006495 392939037 /nfs/dbraw/zinc/93/90/37/392939037.db2.gz NMXKEKMRXWWEGO-SJORKVTESA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339006495 392939044 /nfs/dbraw/zinc/93/90/44/392939044.db2.gz NMXKEKMRXWWEGO-SJORKVTESA-N 1 2 294.402 3.055 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530724921 392986700 /nfs/dbraw/zinc/98/67/00/392986700.db2.gz RTIOQCBBSNYLKU-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530724921 392986706 /nfs/dbraw/zinc/98/67/06/392986706.db2.gz RTIOQCBBSNYLKU-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO CC(C)OC(=O)[C@@H]([NH2+]CCC1(C#N)CCCCC1)C(C)C ZINC000411787061 392989005 /nfs/dbraw/zinc/98/90/05/392989005.db2.gz KIUZWHJCRCITRD-HNNXBMFYSA-N 1 2 294.439 3.416 20 30 CGEDLO N#Cc1ccc(OC2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000271084257 393244383 /nfs/dbraw/zinc/24/43/83/393244383.db2.gz YFGHUBKKKLZPGU-UHFFFAOYSA-N 1 2 294.358 3.150 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000355216345 393265312 /nfs/dbraw/zinc/26/53/12/393265312.db2.gz DXECXRYTMAQESM-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000355216345 393265316 /nfs/dbraw/zinc/26/53/16/393265316.db2.gz DXECXRYTMAQESM-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO CSc1ccccc1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356393103 393435202 /nfs/dbraw/zinc/43/52/02/393435202.db2.gz KXVMDCGYCUFXSA-UHFFFAOYSA-N 1 2 289.429 3.369 20 30 CGEDLO CSc1ccccc1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356393103 393435208 /nfs/dbraw/zinc/43/52/08/393435208.db2.gz KXVMDCGYCUFXSA-UHFFFAOYSA-N 1 2 289.429 3.369 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccon1 ZINC000356427015 393441324 /nfs/dbraw/zinc/44/13/24/393441324.db2.gz KTJXNJSOKXLRFK-SECBINFHSA-N 1 2 295.264 3.416 20 30 CGEDLO N#Cc1csc(CNc2cc(C(F)(F)F)cc[nH+]2)n1 ZINC000357697057 393515076 /nfs/dbraw/zinc/51/50/76/393515076.db2.gz HUDYHOAJYKZCHJ-UHFFFAOYSA-N 1 2 284.266 3.041 20 30 CGEDLO C=CCOCCCSCc1cc(OC)cc(C)[nH+]1 ZINC000359122853 393538487 /nfs/dbraw/zinc/53/84/87/393538487.db2.gz HROPKPOPPJPKAX-UHFFFAOYSA-N 1 2 267.394 3.225 20 30 CGEDLO N#Cc1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000066862343 397638253 /nfs/dbraw/zinc/63/82/53/397638253.db2.gz DCRSTCUXYFLYGT-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=CCSCCNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000301969922 397675647 /nfs/dbraw/zinc/67/56/47/397675647.db2.gz QWIBQOHPHRUCDX-UHFFFAOYSA-N 1 2 289.404 3.278 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1csc(C)n1 ZINC000040443846 174264179 /nfs/dbraw/zinc/26/41/79/174264179.db2.gz UBQOGLCLYULWGY-UHFFFAOYSA-N 1 2 274.389 3.306 20 30 CGEDLO C=C(C)CN(C)c1cc(C)nc([C@H](C)[N@H+](C)CC(=C)C)n1 ZINC000679935820 543669092 /nfs/dbraw/zinc/66/90/92/543669092.db2.gz QAGPOBFPEKDRSU-HNNXBMFYSA-N 1 2 288.439 3.366 20 30 CGEDLO C=C(C)CN(C)c1cc(C)nc([C@H](C)[N@@H+](C)CC(=C)C)n1 ZINC000679935820 543669094 /nfs/dbraw/zinc/66/90/94/543669094.db2.gz QAGPOBFPEKDRSU-HNNXBMFYSA-N 1 2 288.439 3.366 20 30 CGEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683026979 543890903 /nfs/dbraw/zinc/89/09/03/543890903.db2.gz RPCBPCYPCOGRKJ-HNNXBMFYSA-N 1 2 297.320 3.081 20 30 CGEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000683026979 543890905 /nfs/dbraw/zinc/89/09/05/543890905.db2.gz RPCBPCYPCOGRKJ-HNNXBMFYSA-N 1 2 297.320 3.081 20 30 CGEDLO N#CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000329127792 227312207 /nfs/dbraw/zinc/31/22/07/227312207.db2.gz ZGQWLISQIICKNU-UHFFFAOYSA-N 1 2 254.293 3.006 20 30 CGEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C2CC2)nn1 ZINC000653483328 419034672 /nfs/dbraw/zinc/03/46/72/419034672.db2.gz GSIUUYJARCCESE-UHFFFAOYSA-N 1 2 282.391 3.019 20 30 CGEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C2CC2)nn1 ZINC000653483328 419034675 /nfs/dbraw/zinc/03/46/75/419034675.db2.gz GSIUUYJARCCESE-UHFFFAOYSA-N 1 2 282.391 3.019 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)Cc2ccc(CC)cc2)nn1 ZINC000653487113 419036559 /nfs/dbraw/zinc/03/65/59/419036559.db2.gz HFUBXSRRZYENRY-UHFFFAOYSA-N 1 2 284.407 3.049 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)Cc2ccc(CC)cc2)nn1 ZINC000653487113 419036563 /nfs/dbraw/zinc/03/65/63/419036563.db2.gz HFUBXSRRZYENRY-UHFFFAOYSA-N 1 2 284.407 3.049 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)cs1)[C@H](C)COC ZINC000661244122 419244512 /nfs/dbraw/zinc/24/45/12/419244512.db2.gz QEQJGONOCYLMQG-GFCCVEGCSA-N 1 2 282.453 3.464 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)cs1)[C@H](C)COC ZINC000661244122 419244514 /nfs/dbraw/zinc/24/45/14/419244514.db2.gz QEQJGONOCYLMQG-GFCCVEGCSA-N 1 2 282.453 3.464 20 30 CGEDLO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661374382 419254488 /nfs/dbraw/zinc/25/44/88/419254488.db2.gz WLEDSULKGBWERS-ZDUSSCGKSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@H](CO)[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661374382 419254489 /nfs/dbraw/zinc/25/44/89/419254489.db2.gz WLEDSULKGBWERS-ZDUSSCGKSA-N 1 2 286.202 3.289 20 30 CGEDLO Cc1cccc2ncc(C[N@H+](CCC#N)CC(C)(C)C)n21 ZINC000353422002 228099970 /nfs/dbraw/zinc/09/99/70/228099970.db2.gz MRSBQHKLPHICGR-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccc2ncc(C[N@@H+](CCC#N)CC(C)(C)C)n21 ZINC000353422002 228099973 /nfs/dbraw/zinc/09/99/73/228099973.db2.gz MRSBQHKLPHICGR-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)cc1 ZINC000042315683 260185824 /nfs/dbraw/zinc/18/58/24/260185824.db2.gz HVTOMIYQYQKCGN-SNVBAGLBSA-N 1 2 267.170 3.183 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042315683 260185826 /nfs/dbraw/zinc/18/58/26/260185826.db2.gz HVTOMIYQYQKCGN-SNVBAGLBSA-N 1 2 267.170 3.183 20 30 CGEDLO N#CCC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000081518093 260334020 /nfs/dbraw/zinc/33/40/20/260334020.db2.gz LXCWGPXXUGYXTI-UHFFFAOYSA-N 1 2 296.370 3.173 20 30 CGEDLO N#CCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000081518093 260334022 /nfs/dbraw/zinc/33/40/22/260334022.db2.gz LXCWGPXXUGYXTI-UHFFFAOYSA-N 1 2 296.370 3.173 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000358284669 260628778 /nfs/dbraw/zinc/62/87/78/260628778.db2.gz XOYQHCKRYJHRMM-GHMZBOCLSA-N 1 2 263.410 3.050 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C[NH+](C)[C@@H](C)CC#N)c1 ZINC000161762119 261259403 /nfs/dbraw/zinc/25/94/03/261259403.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C[NH+](C)[C@@H](C)CC#N)c1 ZINC000161762119 261259404 /nfs/dbraw/zinc/25/94/04/261259404.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(CN(C)[C@@H](C)CC#N)c1 ZINC000161762119 261259410 /nfs/dbraw/zinc/25/94/10/261259410.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(CN(C)[C@@H](C)CC#N)c1 ZINC000161762119 261259412 /nfs/dbraw/zinc/25/94/12/261259412.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161762119 261259415 /nfs/dbraw/zinc/25/94/15/261259415.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO C[C@H](CC#N)N(C)Cc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000161762119 261259418 /nfs/dbraw/zinc/25/94/18/261259418.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 1 2 298.434 3.155 20 30 CGEDLO N#CCc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000185145092 262044153 /nfs/dbraw/zinc/04/41/53/262044153.db2.gz KWZNYBGLBFECRM-UHFFFAOYSA-N 1 2 292.386 3.360 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000185730156 262068569 /nfs/dbraw/zinc/06/85/69/262068569.db2.gz MSXOOSFVEDGOOB-UKPHBRMFSA-N 1 2 286.375 3.349 20 30 CGEDLO C=Cn1cc(C[N@@H+](CCC#N)CC(CC)CC)cn1 ZINC000193881406 262229812 /nfs/dbraw/zinc/22/98/12/262229812.db2.gz RMQWIXVUTQJHBH-UHFFFAOYSA-N 1 2 260.385 3.135 20 30 CGEDLO C=Cn1cc(C[N@H+](CCC#N)CC(CC)CC)cn1 ZINC000193881406 262229814 /nfs/dbraw/zinc/22/98/14/262229814.db2.gz RMQWIXVUTQJHBH-UHFFFAOYSA-N 1 2 260.385 3.135 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000354032438 262283605 /nfs/dbraw/zinc/28/36/05/262283605.db2.gz ADAIZHOGWQLEOZ-AWEZNQCLSA-N 1 2 270.376 3.375 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000354032438 262283607 /nfs/dbraw/zinc/28/36/07/262283607.db2.gz ADAIZHOGWQLEOZ-AWEZNQCLSA-N 1 2 270.376 3.375 20 30 CGEDLO N#C[C@@H]1CCC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000185868038 262310569 /nfs/dbraw/zinc/31/05/69/262310569.db2.gz LILCAPMFPCTXPT-KGLIPLIRSA-N 1 2 270.380 3.176 20 30 CGEDLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272565626 263006683 /nfs/dbraw/zinc/00/66/83/263006683.db2.gz MHEMNYSEIVNYJM-OAHLLOKOSA-N 1 2 299.418 3.256 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@H]2CCO[C@H](C)C2)c1O ZINC000273351724 263015707 /nfs/dbraw/zinc/01/57/07/263015707.db2.gz QGXVYJGSDBHMBF-GWMMYCTHSA-N 1 2 277.364 3.025 20 30 CGEDLO CO[C@H](C[N@H+](C)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006262 263080300 /nfs/dbraw/zinc/08/03/00/263080300.db2.gz GAIVUVJXLZICKH-SMDDNHRTSA-N 1 2 266.772 3.261 20 30 CGEDLO CO[C@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006262 263080301 /nfs/dbraw/zinc/08/03/01/263080301.db2.gz GAIVUVJXLZICKH-SMDDNHRTSA-N 1 2 266.772 3.261 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2(COC)CCC2)c1O ZINC000283754365 263084057 /nfs/dbraw/zinc/08/40/57/263084057.db2.gz GRCGKTLLFKTTQR-LICLKQGHSA-N 1 2 277.364 3.027 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000292089311 263128216 /nfs/dbraw/zinc/12/82/16/263128216.db2.gz FIDMJROASBKKLW-UHFFFAOYSA-N 1 2 267.376 3.389 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000292089311 263128217 /nfs/dbraw/zinc/12/82/17/263128217.db2.gz FIDMJROASBKKLW-UHFFFAOYSA-N 1 2 267.376 3.389 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000292217965 263129662 /nfs/dbraw/zinc/12/96/62/263129662.db2.gz OUOSCLFWSUMXJV-IBGZPJMESA-N 1 2 294.398 3.145 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000292217965 263129663 /nfs/dbraw/zinc/12/96/63/263129663.db2.gz OUOSCLFWSUMXJV-IBGZPJMESA-N 1 2 294.398 3.145 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)s1 ZINC000292705797 263134012 /nfs/dbraw/zinc/13/40/12/263134012.db2.gz CTGMNQALECHDSX-UHFFFAOYSA-N 1 2 286.404 3.050 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)s1 ZINC000292705797 263134013 /nfs/dbraw/zinc/13/40/13/263134013.db2.gz CTGMNQALECHDSX-UHFFFAOYSA-N 1 2 286.404 3.050 20 30 CGEDLO N#C[C@@H]1C[N@@H+](Cc2cc(O)cc(F)c2)C[C@H]1c1ccccc1 ZINC000292763188 263134911 /nfs/dbraw/zinc/13/49/11/263134911.db2.gz JSGSFGJULIHKSB-QAPCUYQASA-N 1 2 296.345 3.270 20 30 CGEDLO N#C[C@@H]1C[N@H+](Cc2cc(O)cc(F)c2)C[C@H]1c1ccccc1 ZINC000292763188 263134912 /nfs/dbraw/zinc/13/49/12/263134912.db2.gz JSGSFGJULIHKSB-QAPCUYQASA-N 1 2 296.345 3.270 20 30 CGEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ncc[nH]1 ZINC000353628669 263279385 /nfs/dbraw/zinc/27/93/85/263279385.db2.gz BOUOVAKJJAUNQL-GXTWGEPZSA-N 1 2 254.337 3.105 20 30 CGEDLO CCC(CC)n1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000331357457 264208455 /nfs/dbraw/zinc/20/84/55/264208455.db2.gz TYQNIUXNADZLNS-IUODEOHRSA-N 1 2 260.385 3.026 20 30 CGEDLO C=CCC(CC=C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000131064422 264365117 /nfs/dbraw/zinc/36/51/17/264365117.db2.gz BRGUVTUVQXJIDR-UHFFFAOYSA-N 1 2 287.407 3.158 20 30 CGEDLO N#Cc1cc(F)ccc1COc1ccccc1-n1cc[nH+]c1 ZINC000522893211 270107366 /nfs/dbraw/zinc/10/73/66/270107366.db2.gz BTGKNLGNFNRCMF-UHFFFAOYSA-N 1 2 293.301 3.462 20 30 CGEDLO C=CCCC1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000356688901 266160862 /nfs/dbraw/zinc/16/08/62/266160862.db2.gz AAKDMAIAQJESGB-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913599 266211445 /nfs/dbraw/zinc/21/14/45/266211445.db2.gz KULXUSWSLGBOPX-LSDHHAIUSA-N 1 2 276.380 3.200 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913599 266211449 /nfs/dbraw/zinc/21/14/49/266211449.db2.gz KULXUSWSLGBOPX-LSDHHAIUSA-N 1 2 276.380 3.200 20 30 CGEDLO C=CC[C@H](CC)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000357678281 266344774 /nfs/dbraw/zinc/34/47/74/266344774.db2.gz RRBBILDFUGDOMJ-AWEZNQCLSA-N 1 2 285.391 3.206 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]C2(c3noc(C(F)F)n3)CCC2)C1 ZINC000367837774 267121199 /nfs/dbraw/zinc/12/11/99/267121199.db2.gz VRTMHQBNCXGBKY-UWVGGRQHSA-N 1 2 296.321 3.058 20 30 CGEDLO Cc1cc(N[C@H]2CCCc3sccc32)c(C#N)c[nH+]1 ZINC000399466727 267301590 /nfs/dbraw/zinc/30/15/90/267301590.db2.gz TZUYBEGLXANUPZ-ZDUSSCGKSA-N 1 2 269.373 3.235 20 30 CGEDLO CCOc1cccc(C[N@@H+](CCC#N)CCC(C)C)n1 ZINC000119169698 267305314 /nfs/dbraw/zinc/30/53/14/267305314.db2.gz YISYURFNYGALPC-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCOc1cccc(C[N@H+](CCC#N)CCC(C)C)n1 ZINC000119169698 267305312 /nfs/dbraw/zinc/30/53/12/267305312.db2.gz YISYURFNYGALPC-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCCn1cc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000119188302 267305695 /nfs/dbraw/zinc/30/56/95/267305695.db2.gz YRNQBMUNVKQVNG-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CCCn1cc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000119188302 267305698 /nfs/dbraw/zinc/30/56/98/267305698.db2.gz YRNQBMUNVKQVNG-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO C#CCCSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000179250813 277676562 /nfs/dbraw/zinc/67/65/62/277676562.db2.gz GIYMUOCHOPDNTH-CYBMUJFWSA-N 1 2 294.468 3.206 20 30 CGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595226 278228450 /nfs/dbraw/zinc/22/84/50/278228450.db2.gz IBHZSEFDWBDITJ-WDEREUQCSA-N 1 2 261.369 3.050 20 30 CGEDLO CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595226 278228451 /nfs/dbraw/zinc/22/84/51/278228451.db2.gz IBHZSEFDWBDITJ-WDEREUQCSA-N 1 2 261.369 3.050 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@@H]2CCC[C@H]2O1 ZINC000440955667 278337006 /nfs/dbraw/zinc/33/70/06/278337006.db2.gz GOYSUECKARCKTC-HUUCEWRRSA-N 1 2 288.366 3.229 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@@H]2CCC[C@H]2O1 ZINC000440955667 278337007 /nfs/dbraw/zinc/33/70/07/278337007.db2.gz GOYSUECKARCKTC-HUUCEWRRSA-N 1 2 288.366 3.229 20 30 CGEDLO Cc1nc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(Cl)cc1C#N ZINC000333712988 281981280 /nfs/dbraw/zinc/98/12/80/281981280.db2.gz QFJSSVBOJNLMPI-PELKAZGASA-N 1 2 287.754 3.230 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000334915716 303073152 /nfs/dbraw/zinc/07/31/52/303073152.db2.gz ZTSOPHAUJQYWHM-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000334915716 303073155 /nfs/dbraw/zinc/07/31/55/303073155.db2.gz ZTSOPHAUJQYWHM-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO N#C[C@@H]1[N@H+](CC2CCCC2)CCC[C@@]12CCCCO2 ZINC000336551072 303164408 /nfs/dbraw/zinc/16/44/08/303164408.db2.gz HVOQUWFYVGIZIF-HOTGVXAUSA-N 1 2 262.397 3.104 20 30 CGEDLO N#C[C@@H]1[N@@H+](CC2CCCC2)CCC[C@@]12CCCCO2 ZINC000336551072 303164409 /nfs/dbraw/zinc/16/44/09/303164409.db2.gz HVOQUWFYVGIZIF-HOTGVXAUSA-N 1 2 262.397 3.104 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000563366086 328059500 /nfs/dbraw/zinc/05/95/00/328059500.db2.gz OXAPAHKFYNXPEP-DGCLKSJQSA-N 1 2 293.798 3.257 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000268245790 328183542 /nfs/dbraw/zinc/18/35/42/328183542.db2.gz AWYYMLZDWPSNCB-MRXNPFEDSA-N 1 2 286.400 3.197 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000268245790 328183544 /nfs/dbraw/zinc/18/35/44/328183544.db2.gz AWYYMLZDWPSNCB-MRXNPFEDSA-N 1 2 286.400 3.197 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000292229437 328268994 /nfs/dbraw/zinc/26/89/94/328268994.db2.gz PLOBSKFCGYVXLY-OAHLLOKOSA-N 1 2 278.783 3.429 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000292229437 328268995 /nfs/dbraw/zinc/26/89/95/328268995.db2.gz PLOBSKFCGYVXLY-OAHLLOKOSA-N 1 2 278.783 3.429 20 30 CGEDLO CCCCCCCCC(=O)NCc1[nH+]ccn1CC ZINC000295897066 328287762 /nfs/dbraw/zinc/28/77/62/328287762.db2.gz ZMVCSMJPZVIZRC-UHFFFAOYSA-N 1 2 265.401 3.270 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000428086076 328490816 /nfs/dbraw/zinc/49/08/16/328490816.db2.gz CRPNEEUVTLRRSQ-ZBFHGGJFSA-N 1 2 291.391 3.244 20 30 CGEDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1F ZINC000584035563 326903494 /nfs/dbraw/zinc/90/34/94/326903494.db2.gz KDHTWKSMHJOYEN-PGUXBMHVSA-N 1 2 284.338 3.250 20 30 CGEDLO C=C(C)COc1cc(C[NH2+]CC(C)(F)F)ccc1OC ZINC000517761112 327102672 /nfs/dbraw/zinc/10/26/72/327102672.db2.gz JWGJKBGWTQUSEI-UHFFFAOYSA-N 1 2 285.334 3.395 20 30 CGEDLO CCC(CC)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000409444744 327161637 /nfs/dbraw/zinc/16/16/37/327161637.db2.gz PHDQWAYGWAPCAS-GOSISDBHSA-N 1 2 285.435 3.133 20 30 CGEDLO CCC(CC)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000409444744 327161639 /nfs/dbraw/zinc/16/16/39/327161639.db2.gz PHDQWAYGWAPCAS-GOSISDBHSA-N 1 2 285.435 3.133 20 30 CGEDLO C=CCCCCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000582428504 328987890 /nfs/dbraw/zinc/98/78/90/328987890.db2.gz QEWGUUMCXRDTHZ-UHFFFAOYSA-N 1 2 297.402 3.408 20 30 CGEDLO CCC[N@H+](Cc1cc(C(C)=O)no1)Cc1ccc(C#N)cc1 ZINC000582464863 329087805 /nfs/dbraw/zinc/08/78/05/329087805.db2.gz ZCKFNMROYLYHAP-UHFFFAOYSA-N 1 2 297.358 3.161 20 30 CGEDLO CCC[N@@H+](Cc1cc(C(C)=O)no1)Cc1ccc(C#N)cc1 ZINC000582464863 329087806 /nfs/dbraw/zinc/08/78/06/329087806.db2.gz ZCKFNMROYLYHAP-UHFFFAOYSA-N 1 2 297.358 3.161 20 30 CGEDLO N#CC1(CSCc2cn3ccccc3[nH+]2)CCC1 ZINC000419430624 329728397 /nfs/dbraw/zinc/72/83/97/329728397.db2.gz UXFXVQXBJHFFKZ-UHFFFAOYSA-N 1 2 257.362 3.261 20 30 CGEDLO C=CCC(C)(C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420832056 329785884 /nfs/dbraw/zinc/78/58/84/329785884.db2.gz AQJGTQQUYUTLEQ-UHFFFAOYSA-N 1 2 275.396 3.100 20 30 CGEDLO C=CCCc1nc(Cn2c3ccccc3[nH+]c2CC)no1 ZINC000274050539 330103247 /nfs/dbraw/zinc/10/32/47/330103247.db2.gz RISLCDRRXASSLK-UHFFFAOYSA-N 1 2 282.347 3.149 20 30 CGEDLO CCC(C#N)(CC)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000528323621 330320850 /nfs/dbraw/zinc/32/08/50/330320850.db2.gz GBRHJDCMEXFRTD-UHFFFAOYSA-N 1 2 282.347 3.345 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2Cl)nn1 ZINC000424298406 330336546 /nfs/dbraw/zinc/33/65/46/330336546.db2.gz SFGUZEXIWUBGPT-JTQLQIEISA-N 1 2 294.761 3.107 20 30 CGEDLO N#CC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000057876176 330379761 /nfs/dbraw/zinc/37/97/61/330379761.db2.gz KBDLRLZDAXQPHM-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573634 330938101 /nfs/dbraw/zinc/93/81/01/330938101.db2.gz RKKMSTXAZJZYRM-UKRRQHHQSA-N 1 2 283.375 3.244 20 30 CGEDLO N#CCc1cccc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000449690641 330943827 /nfs/dbraw/zinc/94/38/27/330943827.db2.gz QRGHKLJGTYOLPY-UHFFFAOYSA-N 1 2 292.386 3.360 20 30 CGEDLO CCN(C)c1ccc(CNc2cccc(CC#N)c2)c[nH+]1 ZINC000449697205 330944338 /nfs/dbraw/zinc/94/43/38/330944338.db2.gz KYTVRJNDUUMDOF-UHFFFAOYSA-N 1 2 280.375 3.216 20 30 CGEDLO C=CCC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CCCC1 ZINC000456396530 331192073 /nfs/dbraw/zinc/19/20/73/331192073.db2.gz BCBWOGABMIFPMP-CHWSQXEVSA-N 1 2 273.380 3.142 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc([C@@H](C)SCC)no1 ZINC000489487027 332055650 /nfs/dbraw/zinc/05/56/50/332055650.db2.gz ZUBVGDGONISOSY-VXGBXAGGSA-N 1 2 281.425 3.424 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc([C@@H](C)SCC)no1 ZINC000489487027 332055651 /nfs/dbraw/zinc/05/56/51/332055651.db2.gz ZUBVGDGONISOSY-VXGBXAGGSA-N 1 2 281.425 3.424 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CCC(C)C)no1 ZINC000489497750 332056752 /nfs/dbraw/zinc/05/67/52/332056752.db2.gz PEBDOHQUHYSSNW-CYBMUJFWSA-N 1 2 263.385 3.199 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CCC(C)C)no1 ZINC000489497750 332056753 /nfs/dbraw/zinc/05/67/53/332056753.db2.gz PEBDOHQUHYSSNW-CYBMUJFWSA-N 1 2 263.385 3.199 20 30 CGEDLO C#C[C@@H](CCC)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000491092560 332147951 /nfs/dbraw/zinc/14/79/51/332147951.db2.gz CILGVLDKJPKZBI-AWEZNQCLSA-N 1 2 296.374 3.011 20 30 CGEDLO C#CC[N@H+](Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000491393972 332203506 /nfs/dbraw/zinc/20/35/06/332203506.db2.gz KEULQWOYEHXCNM-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CC1 ZINC000491393972 332203507 /nfs/dbraw/zinc/20/35/07/332203507.db2.gz KEULQWOYEHXCNM-UHFFFAOYSA-N 1 2 258.346 3.001 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(C=C)c1)c1ccc(Cl)cc1F ZINC000491438487 332211227 /nfs/dbraw/zinc/21/12/27/332211227.db2.gz CSSYUMBPLFPETI-OAHLLOKOSA-N 1 2 289.741 3.240 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccc(F)cc1 ZINC000491692725 332289374 /nfs/dbraw/zinc/28/93/74/332289374.db2.gz BLJIJUGEGWQGAL-QGZVFWFLSA-N 1 2 299.345 3.307 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(Cl)cc1 ZINC000491700763 332295336 /nfs/dbraw/zinc/29/53/36/332295336.db2.gz FDKNVKBDAHMDPQ-HNNXBMFYSA-N 1 2 286.762 3.208 20 30 CGEDLO COc1cc2c(cc1C[N@H+](C)CC(C)(C)C#N)O[C@@H](C)C2 ZINC000516752867 333081833 /nfs/dbraw/zinc/08/18/33/333081833.db2.gz SEDDPRDDEOUKGI-LBPRGKRZSA-N 1 2 288.391 3.000 20 30 CGEDLO COc1cc2c(cc1C[N@@H+](C)CC(C)(C)C#N)O[C@@H](C)C2 ZINC000516752867 333081834 /nfs/dbraw/zinc/08/18/34/333081834.db2.gz SEDDPRDDEOUKGI-LBPRGKRZSA-N 1 2 288.391 3.000 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C)on1)[C@@H]1CCc2ccccc21 ZINC000076996710 334092827 /nfs/dbraw/zinc/09/28/27/334092827.db2.gz UJZVVDSIUIFOEE-QGZVFWFLSA-N 1 2 266.344 3.106 20 30 CGEDLO C#CC[N@H+](Cc1cc(C)on1)[C@@H]1CCc2ccccc21 ZINC000076996710 334092828 /nfs/dbraw/zinc/09/28/28/334092828.db2.gz UJZVVDSIUIFOEE-QGZVFWFLSA-N 1 2 266.344 3.106 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnc(-c2ccncc2)s1 ZINC000552071696 334285562 /nfs/dbraw/zinc/28/55/62/334285562.db2.gz BAXXKIUQVJGJEE-UHFFFAOYSA-N 1 2 286.404 3.329 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(-c2ccncc2)s1 ZINC000552071696 334285564 /nfs/dbraw/zinc/28/55/64/334285564.db2.gz BAXXKIUQVJGJEE-UHFFFAOYSA-N 1 2 286.404 3.329 20 30 CGEDLO C=CCCO[C@@H](C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000351135703 335573038 /nfs/dbraw/zinc/57/30/38/335573038.db2.gz ZUVCXGABEPPEQK-ZDUSSCGKSA-N 1 2 287.363 3.212 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(CCc2[nH+]cccc2C)no1 ZINC000578294914 335595944 /nfs/dbraw/zinc/59/59/44/335595944.db2.gz RDBNGYOQCFWDSN-INIZCTEOSA-N 1 2 271.364 3.412 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1SC ZINC000580723415 335960089 /nfs/dbraw/zinc/96/00/89/335960089.db2.gz ZEEOQHSLWOKLLT-RYUDHWBXSA-N 1 2 291.420 3.017 20 30 CGEDLO CCc1cc(C[NH2+][C@@H](CCC#N)c2ccc(OC)cc2)on1 ZINC000580991712 335993148 /nfs/dbraw/zinc/99/31/48/335993148.db2.gz NCQNBIOIKMGVBR-KRWDZBQOSA-N 1 2 299.374 3.380 20 30 CGEDLO CCOc1cccc([C@@H]2C[C@H]2Nc2cc(C)[nH+]cc2C#N)c1 ZINC000581007836 335995278 /nfs/dbraw/zinc/99/52/78/335995278.db2.gz FIJALMFYXZDAQW-FUHWJXTLSA-N 1 2 293.370 3.050 20 30 CGEDLO N#CCC[N@@H+](CCc1ccccc1F)Cc1ccco1 ZINC000195007164 336042733 /nfs/dbraw/zinc/04/27/33/336042733.db2.gz JAMQHAJECBCYPI-UHFFFAOYSA-N 1 2 272.323 3.377 20 30 CGEDLO N#CCC[N@H+](CCc1ccccc1F)Cc1ccco1 ZINC000195007164 336042734 /nfs/dbraw/zinc/04/27/34/336042734.db2.gz JAMQHAJECBCYPI-UHFFFAOYSA-N 1 2 272.323 3.377 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3cccc(F)c3C#N)CC2)c1 ZINC000428328512 534803340 /nfs/dbraw/zinc/80/33/40/534803340.db2.gz ZDDAKMRVJXEUCF-UHFFFAOYSA-N 1 2 291.329 3.348 20 30 CGEDLO N#Cc1csc(C[NH2+]C2(c3cccc(Cl)c3)CC2)n1 ZINC000352797640 534829301 /nfs/dbraw/zinc/82/93/01/534829301.db2.gz MGJSVGMULHXEJK-UHFFFAOYSA-N 1 2 289.791 3.447 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C#N)CCC#N ZINC000352789549 526349853 /nfs/dbraw/zinc/34/98/53/526349853.db2.gz OSPWPTDRQOVGOW-OAHLLOKOSA-N 1 2 298.346 3.026 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C#N)CCC#N ZINC000352789549 526349857 /nfs/dbraw/zinc/34/98/57/526349857.db2.gz OSPWPTDRQOVGOW-OAHLLOKOSA-N 1 2 298.346 3.026 20 30 CGEDLO CCC1(c2ccccc2)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425274341 527817729 /nfs/dbraw/zinc/81/77/29/527817729.db2.gz ZRFXQLWLUHCZEH-UHFFFAOYSA-N 1 2 277.371 3.430 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356095078 528376476 /nfs/dbraw/zinc/37/64/76/528376476.db2.gz WZZFGWPPCMNBHH-UHFFFAOYSA-N 1 2 281.281 3.313 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356095078 528376481 /nfs/dbraw/zinc/37/64/81/528376481.db2.gz WZZFGWPPCMNBHH-UHFFFAOYSA-N 1 2 281.281 3.313 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H](C)C#N ZINC000351683990 528814319 /nfs/dbraw/zinc/81/43/19/528814319.db2.gz DAXHGOQZEBHZSY-CYBMUJFWSA-N 1 2 275.396 3.240 20 30 CGEDLO CC[N@H+](Cc1cccc(OC(C)(C)C)n1)C[C@H](C)C#N ZINC000351683990 528814324 /nfs/dbraw/zinc/81/43/24/528814324.db2.gz DAXHGOQZEBHZSY-CYBMUJFWSA-N 1 2 275.396 3.240 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1C ZINC000356083823 528883099 /nfs/dbraw/zinc/88/30/99/528883099.db2.gz KCTCSOIYXFVIAA-UHFFFAOYSA-N 1 2 271.389 3.345 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1C ZINC000356083823 528883105 /nfs/dbraw/zinc/88/31/05/528883105.db2.gz KCTCSOIYXFVIAA-UHFFFAOYSA-N 1 2 271.389 3.345 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1scnc1C ZINC000730147937 571950929 /nfs/dbraw/zinc/95/09/29/571950929.db2.gz KZHFNPSWSAYFJO-UHFFFAOYSA-N 1 2 282.372 3.258 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000731032005 572391774 /nfs/dbraw/zinc/39/17/74/572391774.db2.gz ARNVJTDFMLDXNI-UHFFFAOYSA-N 1 2 272.392 3.401 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCOc3ccccc32)c1O ZINC000731155650 572398143 /nfs/dbraw/zinc/39/81/43/572398143.db2.gz NVITXIPEMLLVRH-HWQJWEFDSA-N 1 2 283.327 3.083 20 30 CGEDLO C=CC1CC[NH+](Cn2nc(C(C)(C)C)oc2=S)CC1 ZINC000732181358 572450909 /nfs/dbraw/zinc/45/09/09/572450909.db2.gz QYMNAPZXXZSDDX-UHFFFAOYSA-N 1 2 281.425 3.359 20 30 CGEDLO COc1cc(CC/[NH+]=C\c2cccc(O)c2O)ccc1C ZINC000741166099 572487157 /nfs/dbraw/zinc/48/71/57/572487157.db2.gz VOUVRQSQFJVVRN-WQRHYEAKSA-N 1 2 285.343 3.076 20 30 CGEDLO CCCCCCCCOCC(=O)Nc1cc[nH+]c(C)c1 ZINC000741689261 572519293 /nfs/dbraw/zinc/51/92/93/572519293.db2.gz BQRFRNAFMDKOFF-UHFFFAOYSA-N 1 2 278.396 3.128 20 30 CGEDLO C#CC[NH+]1CCN(C(=O)[C@](C)(CC)CCCCCC)CC1 ZINC000742670594 572605680 /nfs/dbraw/zinc/60/56/80/572605680.db2.gz KYHUVULCKYUOES-GOSISDBHSA-N 1 2 292.467 3.151 20 30 CGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1nc2ccccc2s1 ZINC000734160155 572636620 /nfs/dbraw/zinc/63/66/20/572636620.db2.gz ULTCUOQNFUJBTR-RYUDHWBXSA-N 1 2 284.388 3.390 20 30 CGEDLO CCC(CC)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000734364764 572649136 /nfs/dbraw/zinc/64/91/36/572649136.db2.gz FBGDCTISOIPJFN-UHFFFAOYSA-N 1 2 263.385 3.382 20 30 CGEDLO CC(C)(C/[NH+]=C/c1ccc(O)c(O)c1O)Cc1ccccc1 ZINC000735228608 572707100 /nfs/dbraw/zinc/70/71/00/572707100.db2.gz DCANOIKNYNCEAI-YBFXNURJSA-N 1 2 299.370 3.491 20 30 CGEDLO CCO[C@@H](CC/[NH+]=C\c1c(O)cccc1OC)C(C)C ZINC000746391841 572868469 /nfs/dbraw/zinc/86/84/69/572868469.db2.gz BWCOYUGKVPCHJJ-ZCQLHAAUSA-N 1 2 279.380 3.271 20 30 CGEDLO CCOc1cccc(/C=[NH+]\[C@@H](CC)C2CCOCC2)c1O ZINC000746393384 572869548 /nfs/dbraw/zinc/86/95/48/572869548.db2.gz KPMTWHDALFMFCT-BRYHAGSVSA-N 1 2 291.391 3.415 20 30 CGEDLO C#CC[N@@H+](CC)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000746457555 572871559 /nfs/dbraw/zinc/87/15/59/572871559.db2.gz HWRCENCQPZMSAA-UHFFFAOYSA-N 1 2 287.794 3.289 20 30 CGEDLO C#CC[N@H+](CC)Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000746457555 572871561 /nfs/dbraw/zinc/87/15/61/572871561.db2.gz HWRCENCQPZMSAA-UHFFFAOYSA-N 1 2 287.794 3.289 20 30 CGEDLO CCC(CC)[C@H](CC/[NH+]=C\c1cccc(O)c1O)OC ZINC000746523858 572876321 /nfs/dbraw/zinc/87/63/21/572876321.db2.gz ZDUZZKDAPBRHFW-ZCQLHAAUSA-N 1 2 279.380 3.358 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3\COc4ccccc4C3=O)n21 ZINC000748994521 572987852 /nfs/dbraw/zinc/98/78/52/572987852.db2.gz NALWGUUISBHENO-UKTHLTGXSA-N 1 2 290.322 3.301 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H](C)c2ccncc2)c(O)c1 ZINC000749846583 573047560 /nfs/dbraw/zinc/04/75/60/573047560.db2.gz YOJAFDALLCKXFA-HCZVKUGISA-N 1 2 284.359 3.409 20 30 CGEDLO C=C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750044425 573077878 /nfs/dbraw/zinc/07/78/78/573077878.db2.gz JAMNTHSAZOFAAP-UHFFFAOYSA-N 1 2 279.767 3.400 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000981892179 613373941 /nfs/dbraw/zinc/37/39/41/613373941.db2.gz KHVCZVGLICQMFF-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000981892179 613373942 /nfs/dbraw/zinc/37/39/42/613373942.db2.gz KHVCZVGLICQMFF-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946254 613380996 /nfs/dbraw/zinc/38/09/96/613380996.db2.gz MPTYXUJRGTXBFB-STQMWFEESA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974946254 613380997 /nfs/dbraw/zinc/38/09/97/613380997.db2.gz MPTYXUJRGTXBFB-STQMWFEESA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000890890077 617891783 /nfs/dbraw/zinc/89/17/83/617891783.db2.gz ILXMMDCRBIEMBT-CQSZACIVSA-N 1 2 281.359 3.117 20 30 CGEDLO O=C1c2ccc(O)cc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000255061407 617894627 /nfs/dbraw/zinc/89/46/27/617894627.db2.gz ZFVLVPNISAYIEK-RAXLEYEMSA-N 1 2 290.322 3.252 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)O[C@H]3CC[C@@](C)(C#N)CC3)ccn12 ZINC000891410730 618190047 /nfs/dbraw/zinc/19/00/47/618190047.db2.gz TYEPECVUVQSXQO-KDYLLFBJSA-N 1 2 297.358 3.272 20 30 CGEDLO O=C1c2ccc(F)cc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000255668438 618774543 /nfs/dbraw/zinc/77/45/43/618774543.db2.gz AJSZSDRRRIRSGD-BENRWUELSA-N 1 2 278.286 3.296 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)s1 ZINC000255894273 618865525 /nfs/dbraw/zinc/86/55/25/618865525.db2.gz GVRBWJZBWYACBD-XQRVVYSFSA-N 1 2 279.324 3.164 20 30 CGEDLO CC(C)n1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)cn1 ZINC000180313246 618873946 /nfs/dbraw/zinc/87/39/46/618873946.db2.gz WLDVLFSHEQFYCD-VOTSOKGWSA-N 1 2 280.331 3.008 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000892855805 618944204 /nfs/dbraw/zinc/94/42/04/618944204.db2.gz KYRVMAXKOMBPHL-UHFFFAOYSA-N 1 2 284.338 3.113 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(-c2ccccc2)no1 ZINC000926873687 618960087 /nfs/dbraw/zinc/96/00/87/618960087.db2.gz ICRNHSFYHIISSC-LBPRGKRZSA-N 1 2 267.332 3.296 20 30 CGEDLO COc1ccsc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000184769696 619055024 /nfs/dbraw/zinc/05/50/24/619055024.db2.gz GHIHKSIPPZZCDB-AATRIKPKSA-N 1 2 284.340 3.301 20 30 CGEDLO Cc1cnc(Cl)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000893471377 619186215 /nfs/dbraw/zinc/18/62/15/619186215.db2.gz QNSQDCLGDKMFPD-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000894034812 619353683 /nfs/dbraw/zinc/35/36/83/619353683.db2.gz SVUDKHHVJXYMSO-UHFFFAOYSA-N 1 2 282.409 3.108 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1ncc(C(=O)OC)s1 ZINC000894034812 619353685 /nfs/dbraw/zinc/35/36/85/619353685.db2.gz SVUDKHHVJXYMSO-UHFFFAOYSA-N 1 2 282.409 3.108 20 30 CGEDLO Cc1ncoc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000894085364 619366492 /nfs/dbraw/zinc/36/64/92/619366492.db2.gz ORDJJUJVAUKKKN-JKSUJKDBSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncoc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000894085364 619366495 /nfs/dbraw/zinc/36/64/95/619366495.db2.gz ORDJJUJVAUKKKN-JKSUJKDBSA-N 1 2 281.359 3.255 20 30 CGEDLO C#C[C@H]([NH2+]Cc1[nH]nc(C)c1C)c1ccc(Cl)cc1 ZINC000894794556 619636885 /nfs/dbraw/zinc/63/68/85/619636885.db2.gz MWOPAUDDHUPTFM-AWEZNQCLSA-N 1 2 273.767 3.144 20 30 CGEDLO Cc1[nH]c(/C=C2/CCc3ccccc3C2=O)[nH+]c1C ZINC000901416219 620880592 /nfs/dbraw/zinc/88/05/92/620880592.db2.gz FBNVCYLHSVYODU-LCYFTJDESA-N 1 2 252.317 3.239 20 30 CGEDLO Cc1cccc2c1[C@H](C)/C(=C\c1c[nH+]cn1C)C2=O ZINC000901488396 620898318 /nfs/dbraw/zinc/89/83/18/620898318.db2.gz KCPDXVVKSFMPLI-LLUUXILJSA-N 1 2 252.317 3.112 20 30 CGEDLO C[C@@H]1C/C(=C/c2c[nH+]cn2C)C(=O)c2ccccc21 ZINC000901486477 620911877 /nfs/dbraw/zinc/91/18/77/620911877.db2.gz JACGUPKGGFNIQT-HQQGHWSLSA-N 1 2 252.317 3.194 20 30 CGEDLO COc1ccc2c(c1)C[C@H](C)/C(=C/c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901578319 620945232 /nfs/dbraw/zinc/94/52/32/620945232.db2.gz KJGCDXBIVNNEJW-XBTXGSBDSA-N 1 2 296.370 3.494 20 30 CGEDLO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)c(Cl)c1 ZINC000903105473 621577834 /nfs/dbraw/zinc/57/78/34/621577834.db2.gz CKUDOTXCYYIKOU-SNVBAGLBSA-N 1 2 264.756 3.303 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906588400 622250675 /nfs/dbraw/zinc/25/06/75/622250675.db2.gz QYUBIYSYPLVIDX-BZUAXINKSA-N 1 2 258.340 3.307 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906588400 622250676 /nfs/dbraw/zinc/25/06/76/622250676.db2.gz QYUBIYSYPLVIDX-BZUAXINKSA-N 1 2 258.340 3.307 20 30 CGEDLO Cc1cc(C)c(C(=O)NCC(C)(C)CCC#N)c(C)[nH+]1 ZINC000908214780 622335354 /nfs/dbraw/zinc/33/53/54/622335354.db2.gz QKRZPYKZVLMRLM-UHFFFAOYSA-N 1 2 273.380 3.067 20 30 CGEDLO Cc1ccc(CO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000029465247 622736022 /nfs/dbraw/zinc/73/60/22/622736022.db2.gz BFIJYZRPQNFEET-UHFFFAOYSA-N 1 2 274.751 3.486 20 30 CGEDLO Cc1cc(C)c(O)c(C[N@H+](CC#N)C2CCCC2)c1 ZINC000164394208 622830313 /nfs/dbraw/zinc/83/03/13/622830313.db2.gz NCCLBOIUWILACQ-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO Cc1cc(C)c(O)c(C[N@@H+](CC#N)C2CCCC2)c1 ZINC000164394208 622830317 /nfs/dbraw/zinc/83/03/17/622830317.db2.gz NCCLBOIUWILACQ-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@](C)(CC)C2)c1=S ZINC000173424660 623322683 /nfs/dbraw/zinc/32/26/83/623322683.db2.gz OYEPOGBYQRHYHC-OAHLLOKOSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@](C)(CC)C2)c1=S ZINC000173424660 623322687 /nfs/dbraw/zinc/32/26/87/623322687.db2.gz OYEPOGBYQRHYHC-OAHLLOKOSA-N 1 2 294.468 3.378 20 30 CGEDLO C=C(C)C[N@@H+](C)Cn1c2ccccc2n(C)c1=S ZINC000182622686 625020635 /nfs/dbraw/zinc/02/06/35/625020635.db2.gz QOQYOZGIWAIHAH-UHFFFAOYSA-N 1 2 261.394 3.175 20 30 CGEDLO C=C(C)C[N@H+](C)Cn1c2ccccc2n(C)c1=S ZINC000182622686 625020638 /nfs/dbraw/zinc/02/06/38/625020638.db2.gz QOQYOZGIWAIHAH-UHFFFAOYSA-N 1 2 261.394 3.175 20 30 CGEDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000922206730 625983865 /nfs/dbraw/zinc/98/38/65/625983865.db2.gz FQEDWSGCYRAAPV-UHFFFAOYSA-N 1 2 283.375 3.328 20 30 CGEDLO Cc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)ccc1C#N ZINC000922521733 626010805 /nfs/dbraw/zinc/01/08/05/626010805.db2.gz XWSVRXVMUYFBRA-FUHWJXTLSA-N 1 2 296.345 3.428 20 30 CGEDLO Cc1[nH]c(CNc2ccc(CCC#N)cc2)[nH+]c1C ZINC000922550486 626011781 /nfs/dbraw/zinc/01/17/81/626011781.db2.gz HUEBYGKLAMVQEZ-UHFFFAOYSA-N 1 2 254.337 3.095 20 30 CGEDLO C#CCC1(NC(=O)NCc2cc(C)[nH+]c(C)c2)CCCCC1 ZINC000922924640 626102468 /nfs/dbraw/zinc/10/24/68/626102468.db2.gz GICBDTIGXNHLEU-UHFFFAOYSA-N 1 2 299.418 3.224 20 30 CGEDLO C#CCC1([NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000922999704 626117458 /nfs/dbraw/zinc/11/74/58/626117458.db2.gz DPNKUHKMCWPMGK-UHFFFAOYSA-N 1 2 294.192 3.190 20 30 CGEDLO N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000839052579 626301698 /nfs/dbraw/zinc/30/16/98/626301698.db2.gz HHZWGMODROTRBX-BBRMVZONSA-N 1 2 295.342 3.111 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753586783 626457077 /nfs/dbraw/zinc/45/70/77/626457077.db2.gz JRIAJPOMDUXKAC-PBHICJAKSA-N 1 2 283.375 3.103 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753586783 626457078 /nfs/dbraw/zinc/45/70/78/626457078.db2.gz JRIAJPOMDUXKAC-PBHICJAKSA-N 1 2 283.375 3.103 20 30 CGEDLO Cc1ccc(C)c(N[NH+]=Cc2cnc(N(C)C)s2)c1 ZINC000755564074 626629502 /nfs/dbraw/zinc/62/95/02/626629502.db2.gz ISTHKHVFPHFDGZ-UHFFFAOYSA-N 1 2 274.393 3.272 20 30 CGEDLO Cc1[nH+]cc(CN=Nc2cc(C)ccn2)n1-c1ccccc1 ZINC000755771755 626645383 /nfs/dbraw/zinc/64/53/83/626645383.db2.gz YEOUAYMFBKUIIL-UHFFFAOYSA-N 1 2 291.358 3.330 20 30 CGEDLO CC(=NO[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000755816189 626649921 /nfs/dbraw/zinc/64/99/21/626649921.db2.gz TZWMKMOOCWFFBH-MRXNPFEDSA-N 1 2 285.347 3.140 20 30 CGEDLO Cc1ccnc(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000755906606 626658764 /nfs/dbraw/zinc/65/87/64/626658764.db2.gz NOEKUHOSZQCPFK-UHFFFAOYSA-N 1 2 291.358 3.412 20 30 CGEDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1O ZINC000761217529 627026429 /nfs/dbraw/zinc/02/64/29/627026429.db2.gz VZMAQPILNVPDPS-OAHLLOKOSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C#N)C2)c1O ZINC000761217529 627026433 /nfs/dbraw/zinc/02/64/33/627026433.db2.gz VZMAQPILNVPDPS-OAHLLOKOSA-N 1 2 294.782 3.180 20 30 CGEDLO CC#CCCCCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000768124140 627460681 /nfs/dbraw/zinc/46/06/81/627460681.db2.gz HFLGEFKBPNWVEA-INIZCTEOSA-N 1 2 299.414 3.170 20 30 CGEDLO CC#CCCCCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000768124140 627460686 /nfs/dbraw/zinc/46/06/86/627460686.db2.gz HFLGEFKBPNWVEA-INIZCTEOSA-N 1 2 299.414 3.170 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1occc1Br ZINC000768140856 627462931 /nfs/dbraw/zinc/46/29/31/627462931.db2.gz XQLBTRJDJHCVPP-UHFFFAOYSA-N 1 2 258.159 3.440 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1occc1Br ZINC000768140856 627462932 /nfs/dbraw/zinc/46/29/32/627462932.db2.gz XQLBTRJDJHCVPP-UHFFFAOYSA-N 1 2 258.159 3.440 20 30 CGEDLO C#CCCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000768387664 627478218 /nfs/dbraw/zinc/47/82/18/627478218.db2.gz IOGYHZGFYMDSLN-UHFFFAOYSA-N 1 2 263.344 3.037 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cncc2ccccc21)C1CC1 ZINC000769542794 627564492 /nfs/dbraw/zinc/56/44/92/627564492.db2.gz BWPFPYVRVDMRSQ-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cncc2ccccc21)C1CC1 ZINC000769542794 627564493 /nfs/dbraw/zinc/56/44/93/627564493.db2.gz BWPFPYVRVDMRSQ-CYBMUJFWSA-N 1 2 265.360 3.359 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1Br ZINC000769961165 627593186 /nfs/dbraw/zinc/59/31/86/627593186.db2.gz PEZOOISALBHEDO-SECBINFHSA-N 1 2 270.145 3.042 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000769961165 627593188 /nfs/dbraw/zinc/59/31/88/627593188.db2.gz PEZOOISALBHEDO-SECBINFHSA-N 1 2 270.145 3.042 20 30 CGEDLO C(=NNc1cccc2cnccc21)c1cccc2[nH+]ccn21 ZINC000771100350 627682797 /nfs/dbraw/zinc/68/27/97/627682797.db2.gz KHHFFZQECAVIQY-UHFFFAOYSA-N 1 2 287.326 3.329 20 30 CGEDLO C=CC[N@@H+](Cn1ccn(C(C)C)c1=S)C1CC1 ZINC000771640977 627724940 /nfs/dbraw/zinc/72/49/40/627724940.db2.gz LBBJPNRIPQLSEC-UHFFFAOYSA-N 1 2 251.399 3.208 20 30 CGEDLO C=CC[N@H+](Cn1ccn(C(C)C)c1=S)C1CC1 ZINC000771640977 627724941 /nfs/dbraw/zinc/72/49/41/627724941.db2.gz LBBJPNRIPQLSEC-UHFFFAOYSA-N 1 2 251.399 3.208 20 30 CGEDLO C#CC[C@H]([NH2+]Cc1ncc(COC)s1)c1ccccc1 ZINC000771858515 627736302 /nfs/dbraw/zinc/73/63/02/627736302.db2.gz PTRPBMGRRHAHOZ-HNNXBMFYSA-N 1 2 286.400 3.144 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000773005523 627840922 /nfs/dbraw/zinc/84/09/22/627840922.db2.gz RILXQHCONNNWKY-VIFPVBQESA-N 1 2 273.735 3.246 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000773005520 627841003 /nfs/dbraw/zinc/84/10/03/627841003.db2.gz RILXQHCONNNWKY-SECBINFHSA-N 1 2 273.735 3.246 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000775787884 628137435 /nfs/dbraw/zinc/13/74/35/628137435.db2.gz BALLPITUUIXTSM-ZIAGYGMSSA-N 1 2 284.186 3.264 20 30 CGEDLO Cc1ccc(N2CC[N@H+](CC3(C#N)CC3)[C@@H](C)C2)cc1C ZINC000775973210 628154197 /nfs/dbraw/zinc/15/41/97/628154197.db2.gz QSLZAYJRIDQZOX-INIZCTEOSA-N 1 2 283.419 3.118 20 30 CGEDLO Cc1ccc(N2CC[N@@H+](CC3(C#N)CC3)[C@@H](C)C2)cc1C ZINC000775973210 628154199 /nfs/dbraw/zinc/15/41/99/628154199.db2.gz QSLZAYJRIDQZOX-INIZCTEOSA-N 1 2 283.419 3.118 20 30 CGEDLO C=CCC[C@H](C(=O)OCCn1cc[nH+]c1)c1ccccc1 ZINC000778553698 628357254 /nfs/dbraw/zinc/35/72/54/628357254.db2.gz XNNRBZGUMQRPLO-INIZCTEOSA-N 1 2 284.359 3.176 20 30 CGEDLO Cc1cccn2c(CNc3cccc(OCC#N)c3)c[nH+]c12 ZINC000779588788 628417226 /nfs/dbraw/zinc/41/72/26/628417226.db2.gz QOHSZAQVKTYKKN-UHFFFAOYSA-N 1 2 292.342 3.157 20 30 CGEDLO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(F)(F)C(F)F ZINC000782651717 628657906 /nfs/dbraw/zinc/65/79/06/628657906.db2.gz AERPTKAHHJOXAD-ZCFIWIBFSA-N 1 2 269.204 3.453 20 30 CGEDLO C=C(CC)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949519 628669634 /nfs/dbraw/zinc/66/96/34/628669634.db2.gz IURIEJGWHNCNGG-UHFFFAOYSA-N 1 2 283.169 3.052 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805754697 628758723 /nfs/dbraw/zinc/75/87/23/628758723.db2.gz ZKLXMZLXRVSIBJ-MRVPVSSYSA-N 1 2 277.236 3.437 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805754697 628758725 /nfs/dbraw/zinc/75/87/25/628758725.db2.gz ZKLXMZLXRVSIBJ-MRVPVSSYSA-N 1 2 277.236 3.437 20 30 CGEDLO C#CCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000788503175 629060277 /nfs/dbraw/zinc/06/02/77/629060277.db2.gz DAURMDXGNNYYEY-INIZCTEOSA-N 1 2 299.418 3.020 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)nc1 ZINC000790161540 629188147 /nfs/dbraw/zinc/18/81/47/629188147.db2.gz HWUJKLHNMFDDLC-UHFFFAOYSA-N 1 2 283.379 3.076 20 30 CGEDLO C=CCC1(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCC1 ZINC000790540272 629216976 /nfs/dbraw/zinc/21/69/76/629216976.db2.gz KKOLZPSJTYZPQY-UHFFFAOYSA-N 1 2 288.391 3.070 20 30 CGEDLO CN(C)c1cc(F)c(C[NH2+]CC2(C#N)CCCC2)cc1F ZINC000862402019 629363694 /nfs/dbraw/zinc/36/36/94/629363694.db2.gz WUCRINXFQTZIHY-UHFFFAOYSA-N 1 2 293.361 3.204 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(F)cn1 ZINC000792633723 629372231 /nfs/dbraw/zinc/37/22/31/629372231.db2.gz OHDIYVKYHVKIDK-UHFFFAOYSA-N 1 2 284.338 3.024 20 30 CGEDLO Cc1cccn2c(CN=Nc3cccc(Cl)n3)c[nH+]c12 ZINC000793163198 629419621 /nfs/dbraw/zinc/41/96/21/629419621.db2.gz YYMDDDMOUPAFCJ-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccs2)s1 ZINC000794690584 629567952 /nfs/dbraw/zinc/56/79/52/629567952.db2.gz JPUXRZWFDVQAHP-AATRIKPKSA-N 1 2 278.402 3.162 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708324 629569823 /nfs/dbraw/zinc/56/98/23/629569823.db2.gz RRMWBIWZOQJYDB-MDWZMJQESA-N 1 2 298.411 3.336 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119535689 629613311 /nfs/dbraw/zinc/61/33/11/629613311.db2.gz IAXRQYLHIRBSRP-GFCCVEGCSA-N 1 2 292.452 3.167 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119535689 629613315 /nfs/dbraw/zinc/61/33/15/629613315.db2.gz IAXRQYLHIRBSRP-GFCCVEGCSA-N 1 2 292.452 3.167 20 30 CGEDLO CC(C)C(C/[NH+]=C/c1ccc(O)c(O)c1O)C(C)C ZINC000797397549 629940833 /nfs/dbraw/zinc/94/08/33/629940833.db2.gz FAUMEGXTHLXCBM-FRKPEAEDSA-N 1 2 265.353 3.151 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@H]2CCCSC2)c1O ZINC000806550843 630565460 /nfs/dbraw/zinc/56/54/60/630565460.db2.gz GYYKHBXIQDYOLC-YUSFRKCESA-N 1 2 279.405 3.353 20 30 CGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1C)c1ccc(N)cc1 ZINC000807989104 630611943 /nfs/dbraw/zinc/61/19/43/630611943.db2.gz BRKAFEDWJRRSBD-UHFFFAOYSA-N 1 2 284.319 3.322 20 30 CGEDLO C#CCOc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000808450244 630646248 /nfs/dbraw/zinc/64/62/48/630646248.db2.gz CSCAWSSBHNXTLC-UHFFFAOYSA-N 1 2 279.330 3.366 20 30 CGEDLO Cc1cc(OC(=O)CCCn2cc[nH+]c2)c(C)c(C)c1C#N ZINC000809034600 630687496 /nfs/dbraw/zinc/68/74/96/630687496.db2.gz AJJGBUYXYZDVBP-UHFFFAOYSA-N 1 2 297.358 3.066 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)=NOC/C=C/Cl ZINC000811668323 631106800 /nfs/dbraw/zinc/10/68/00/631106800.db2.gz MXMWUNSCOKNEOZ-ZFCVXBDBSA-N 1 2 264.756 3.147 20 30 CGEDLO CC(=O)c1ccc(C#N)cc1NCc1ccn2cc[nH+]c2c1 ZINC000811817292 631123339 /nfs/dbraw/zinc/12/33/39/631123339.db2.gz RWPAWNOFQVIKTJ-UHFFFAOYSA-N 1 2 290.326 3.021 20 30 CGEDLO COc1ccc(F)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000812226106 631223002 /nfs/dbraw/zinc/22/30/02/631223002.db2.gz WTBMRTGQKVBMKA-UHFFFAOYSA-N 1 2 295.317 3.250 20 30 CGEDLO Fc1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000812458999 631263388 /nfs/dbraw/zinc/26/33/88/631263388.db2.gz ORFNPDAXWGQTSM-UHFFFAOYSA-N 1 2 299.349 3.108 20 30 CGEDLO C#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675860 631620883 /nfs/dbraw/zinc/62/08/83/631620883.db2.gz VKCZVDWLZZSKFI-AWEZNQCLSA-N 1 2 297.320 3.491 20 30 CGEDLO C#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675860 631620886 /nfs/dbraw/zinc/62/08/86/631620886.db2.gz VKCZVDWLZZSKFI-AWEZNQCLSA-N 1 2 297.320 3.491 20 30 CGEDLO Fc1cc(N[NH+]=C2CC[C@H]3CNc4cccc2c43)ccn1 ZINC000814902107 631671360 /nfs/dbraw/zinc/67/13/60/631671360.db2.gz FEHQVXVPKYWZRG-JTQLQIEISA-N 1 2 282.322 3.340 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccnc(Br)c1 ZINC000815052647 631707671 /nfs/dbraw/zinc/70/76/71/631707671.db2.gz WDJNWGAPNVFHDI-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccnc(Br)c1 ZINC000815052647 631707676 /nfs/dbraw/zinc/70/76/76/631707676.db2.gz WDJNWGAPNVFHDI-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=N[C@H](C)c1ccncc1 ZINC000819816474 632524251 /nfs/dbraw/zinc/52/42/51/632524251.db2.gz JIGZPKHGEQTEFW-OAHLLOKOSA-N 1 2 294.402 3.124 20 30 CGEDLO Nc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000821022158 632713506 /nfs/dbraw/zinc/71/35/06/632713506.db2.gz PGYGLYUHBZRTDH-LREOWRDNSA-N 1 2 258.708 3.213 20 30 CGEDLO Nc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)c[nH+]1 ZINC000821027801 632714407 /nfs/dbraw/zinc/71/44/07/632714407.db2.gz LVVIMGSRKZBSTQ-XFSBKJJWSA-N 1 2 290.269 3.161 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822841763 633025799 /nfs/dbraw/zinc/02/57/99/633025799.db2.gz PPEQRUYXJNMBKX-QWRGUYRKSA-N 1 2 261.196 3.196 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822841763 633025804 /nfs/dbraw/zinc/02/58/04/633025804.db2.gz PPEQRUYXJNMBKX-QWRGUYRKSA-N 1 2 261.196 3.196 20 30 CGEDLO COc1cccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866233359 633037166 /nfs/dbraw/zinc/03/71/66/633037166.db2.gz FPBCWOZZSKWHFN-ZDUSSCGKSA-N 1 2 296.370 3.166 20 30 CGEDLO CCCC[C@H](COC)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269594 633055712 /nfs/dbraw/zinc/05/57/12/633055712.db2.gz JZXVFCAHTFTGGI-TZMCWYRMSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc(C#N)c1O ZINC000866341475 633088558 /nfs/dbraw/zinc/08/85/58/633088558.db2.gz YBUZALYEUONCAW-ZFWWWQNUSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(C#N)c1O ZINC000866357725 633099060 /nfs/dbraw/zinc/09/90/60/633099060.db2.gz VPRRQWORECYMGY-LLVKDONJSA-N 1 2 262.328 3.197 20 30 CGEDLO C[C@@H]([NH2+]CCOCC1CCCC1)c1cccc(C#N)c1O ZINC000866369234 633106146 /nfs/dbraw/zinc/10/61/46/633106146.db2.gz JXZXZTZVQQHSKI-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H]1CCCCO1 ZINC000866387461 633115442 /nfs/dbraw/zinc/11/54/42/633115442.db2.gz RIJRTHBLRCTJSH-RCBQFDQVSA-N 1 2 288.391 3.262 20 30 CGEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823616978 633127024 /nfs/dbraw/zinc/12/70/24/633127024.db2.gz DXBKIBCITQUXMB-NSHDSACASA-N 1 2 279.181 3.460 20 30 CGEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823616978 633127027 /nfs/dbraw/zinc/12/70/27/633127027.db2.gz DXBKIBCITQUXMB-NSHDSACASA-N 1 2 279.181 3.460 20 30 CGEDLO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cccc(C#N)c1O ZINC000866482252 633154525 /nfs/dbraw/zinc/15/45/25/633154525.db2.gz ZINGAAZONOOSGU-DGCLKSJQSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cccc(C#N)c1O ZINC000866482255 633154530 /nfs/dbraw/zinc/15/45/30/633154530.db2.gz ZINGAAZONOOSGU-YPMHNXCESA-N 1 2 276.405 3.200 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000829527167 633747161 /nfs/dbraw/zinc/74/71/61/633747161.db2.gz ZBGZYEFCBMYROM-DOTOQJQBSA-N 1 2 297.402 3.343 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000829788561 633784205 /nfs/dbraw/zinc/78/42/05/633784205.db2.gz AKUVQXOVSUIHBJ-QWHCGFSZSA-N 1 2 293.436 3.119 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000829788561 633784207 /nfs/dbraw/zinc/78/42/07/633784207.db2.gz AKUVQXOVSUIHBJ-QWHCGFSZSA-N 1 2 293.436 3.119 20 30 CGEDLO C=CCCc1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872181785 634080032 /nfs/dbraw/zinc/08/00/32/634080032.db2.gz BGWVMARAAZZRMZ-LBPRGKRZSA-N 1 2 297.280 3.255 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c1=S ZINC000872819263 634213463 /nfs/dbraw/zinc/21/34/63/634213463.db2.gz WOQKINBDWXRRGS-GFCCVEGCSA-N 1 2 296.484 3.480 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@@H](C)C(C)(C)C)c1=S ZINC000872819263 634213468 /nfs/dbraw/zinc/21/34/68/634213468.db2.gz WOQKINBDWXRRGS-GFCCVEGCSA-N 1 2 296.484 3.480 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(F)cc(F)c1O ZINC000834880423 634264512 /nfs/dbraw/zinc/26/45/12/634264512.db2.gz ZGBLOGSUJKYRQE-SCVCMEIPSA-N 1 2 280.318 3.403 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2coc(CC)n2)cc1 ZINC000834898988 634275471 /nfs/dbraw/zinc/27/54/71/634275471.db2.gz DINOSMZGZGGJDC-ZDUSSCGKSA-N 1 2 284.359 3.100 20 30 CGEDLO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(N)cc1Cl ZINC000834998400 634306011 /nfs/dbraw/zinc/30/60/11/634306011.db2.gz UEQRWEQJUQQYRO-SSDOTTSWSA-N 1 2 279.693 3.187 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000876790956 634899149 /nfs/dbraw/zinc/89/91/49/634899149.db2.gz AGQSFFZONZNPJQ-GFCCVEGCSA-N 1 2 276.355 3.348 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000876790956 634899152 /nfs/dbraw/zinc/89/91/52/634899152.db2.gz AGQSFFZONZNPJQ-GFCCVEGCSA-N 1 2 276.355 3.348 20 30 CGEDLO COc1ccc2c(c1)CCC[N@H+]2C[C@H](C)CCC#N ZINC000877180162 635007964 /nfs/dbraw/zinc/00/79/64/635007964.db2.gz IELXXEZHDQFRJW-CYBMUJFWSA-N 1 2 258.365 3.388 20 30 CGEDLO COc1ccc2c(c1)CCC[N@@H+]2C[C@H](C)CCC#N ZINC000877180162 635007967 /nfs/dbraw/zinc/00/79/67/635007967.db2.gz IELXXEZHDQFRJW-CYBMUJFWSA-N 1 2 258.365 3.388 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877616784 635114463 /nfs/dbraw/zinc/11/44/63/635114463.db2.gz HPIPIGITTVCUON-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877616784 635114467 /nfs/dbraw/zinc/11/44/67/635114467.db2.gz HPIPIGITTVCUON-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO CC(C)(C)OC1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877769796 635195360 /nfs/dbraw/zinc/19/53/60/635195360.db2.gz JCDZUBHWBWURJZ-UHFFFAOYSA-N 1 2 284.403 3.241 20 30 CGEDLO C=CCCC[C@@H](C(=O)NCc1[nH]c[nH+]c1C)c1ccccc1 ZINC000879057133 635692295 /nfs/dbraw/zinc/69/22/95/635692295.db2.gz CNGQERLYNRELPV-MRXNPFEDSA-N 1 2 297.402 3.474 20 30 CGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCCCC#N ZINC000847693189 636423537 /nfs/dbraw/zinc/42/35/37/636423537.db2.gz FFHYDRKQBOUQGK-UHFFFAOYSA-N 1 2 297.358 3.308 20 30 CGEDLO CC(CCCC(C)C)=NNCCCn1cc[nH+]c1 ZINC000848418596 636572447 /nfs/dbraw/zinc/57/24/47/636572447.db2.gz NYQVXKDYSXGTQF-UHFFFAOYSA-N 1 2 250.390 3.065 20 30 CGEDLO CC[C@@H]1C[C@@H](C)CCC1N=NCCCn1cc[nH+]c1 ZINC000848419194 636572518 /nfs/dbraw/zinc/57/25/18/636572518.db2.gz VSJFPDXTDGUCGR-UONOGXRCSA-N 1 2 262.401 3.065 20 30 CGEDLO Cc1cccc(CC(N=NCCCn2cc[nH+]c2)C2CC2)c1 ZINC000848419150 636572838 /nfs/dbraw/zinc/57/28/38/636572838.db2.gz ZWAKUJFRIKWEGF-UHFFFAOYSA-N 1 2 296.418 3.180 20 30 CGEDLO c1cn(CCCNN=C2CCC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000848418191 636573328 /nfs/dbraw/zinc/57/33/28/636573328.db2.gz KYABFXFYELVWFD-KRWDZBQOSA-N 1 2 296.418 3.262 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1cccc(C#N)c1O ZINC000883249237 636620030 /nfs/dbraw/zinc/62/00/30/636620030.db2.gz ZKDQJHXTAZYCID-GXTWGEPZSA-N 1 2 288.391 3.120 20 30 CGEDLO CC(C)[N@H+](CCCOc1ccc(C#N)cc1)CC(F)F ZINC000135387470 637128184 /nfs/dbraw/zinc/12/81/84/637128184.db2.gz CUCMQOJUQSVMGI-UHFFFAOYSA-N 1 2 282.334 3.303 20 30 CGEDLO CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)CC(F)F ZINC000135387470 637128191 /nfs/dbraw/zinc/12/81/91/637128191.db2.gz CUCMQOJUQSVMGI-UHFFFAOYSA-N 1 2 282.334 3.303 20 30 CGEDLO C#CC[C@@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000886363032 637513742 /nfs/dbraw/zinc/51/37/42/637513742.db2.gz YDRZCUMGQGBRDN-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000886363032 637513747 /nfs/dbraw/zinc/51/37/47/637513747.db2.gz YDRZCUMGQGBRDN-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nc(C)oc1C)c1ccccc1 ZINC000851903763 637539949 /nfs/dbraw/zinc/53/99/49/637539949.db2.gz WDEUQGSWKRCBDI-OAHLLOKOSA-N 1 2 254.333 3.146 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(-c2ccccc2)no1 ZINC000852098339 637591176 /nfs/dbraw/zinc/59/11/76/637591176.db2.gz KURGMASLWKVCKS-WBMJQRKESA-N 1 2 269.348 3.189 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H]2CCOC2(C)C)c(O)c1 ZINC000852998043 637727534 /nfs/dbraw/zinc/72/75/34/637727534.db2.gz GXPSNKLNQGTXEN-VGSSETLESA-N 1 2 277.364 3.025 20 30 CGEDLO CC(=NOCC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000853439871 637844056 /nfs/dbraw/zinc/84/40/56/637844056.db2.gz NPHBITMQPCXZMI-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC1(CCOC)CC1 ZINC000853451079 637846890 /nfs/dbraw/zinc/84/68/90/637846890.db2.gz YIKUWMJERSGELS-UHFFFAOYSA-N 1 2 288.391 3.102 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000111405616 637868157 /nfs/dbraw/zinc/86/81/57/637868157.db2.gz KBLQYSOVXYLEMB-UHFFFAOYSA-N 1 2 276.261 3.265 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC1(OC)CCC1 ZINC000853647628 637881907 /nfs/dbraw/zinc/88/19/07/637881907.db2.gz BTOKSIDSUJGJNM-UHFFFAOYSA-N 1 2 288.391 3.245 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCS[C@@H]1C ZINC000853710795 637898894 /nfs/dbraw/zinc/89/88/94/637898894.db2.gz ZPBIVEOJEMSRFA-CHWSQXEVSA-N 1 2 276.405 3.180 20 30 CGEDLO Cn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(Cl)n1 ZINC000856775764 638386067 /nfs/dbraw/zinc/38/60/67/638386067.db2.gz TVTCZFVWXMCFOZ-AWEZNQCLSA-N 1 2 288.782 3.208 20 30 CGEDLO Cn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)c(Cl)n1 ZINC000856775765 638386587 /nfs/dbraw/zinc/38/65/87/638386587.db2.gz TVTCZFVWXMCFOZ-CQSZACIVSA-N 1 2 288.782 3.208 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cn2c(n1)CCCC2 ZINC000925472696 638507134 /nfs/dbraw/zinc/50/71/34/638507134.db2.gz GAALWHCBAFHVCK-GFCCVEGCSA-N 1 2 298.365 3.081 20 30 CGEDLO CCCCCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000858114729 638634169 /nfs/dbraw/zinc/63/41/69/638634169.db2.gz RNFXJXCTAVOIIQ-UHFFFAOYSA-N 1 2 277.412 3.468 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929286211 638915583 /nfs/dbraw/zinc/91/55/83/638915583.db2.gz SCNRUPXPSXCJFU-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929286211 638915585 /nfs/dbraw/zinc/91/55/85/638915585.db2.gz SCNRUPXPSXCJFU-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(CCF)c1 ZINC000929781021 638950725 /nfs/dbraw/zinc/95/07/25/638950725.db2.gz REQZZYKQLAFJHN-UHFFFAOYSA-N 1 2 280.391 3.004 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(CCF)c1 ZINC000929781021 638950726 /nfs/dbraw/zinc/95/07/26/638950726.db2.gz REQZZYKQLAFJHN-UHFFFAOYSA-N 1 2 280.391 3.004 20 30 CGEDLO C#CC[C@H](CCOC)Nc1cc[nH+]c2c(OC)cccc12 ZINC000858855560 639030317 /nfs/dbraw/zinc/03/03/17/639030317.db2.gz BTUGIVBRGKVUFH-CYBMUJFWSA-N 1 2 284.359 3.084 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859152774 639091729 /nfs/dbraw/zinc/09/17/29/639091729.db2.gz VWFFYJRBEUHURC-DLBZAZTESA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859152774 639091734 /nfs/dbraw/zinc/09/17/34/639091734.db2.gz VWFFYJRBEUHURC-DLBZAZTESA-N 1 2 295.361 3.492 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)o1)[C@@H]1CCC[C@H]1C#N ZINC000931474285 639157930 /nfs/dbraw/zinc/15/79/30/639157930.db2.gz DTVMKQGTFUCZDA-GOEBONIOSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@@H]1CCC[C@H]1C#N ZINC000931474285 639157933 /nfs/dbraw/zinc/15/79/33/639157933.db2.gz DTVMKQGTFUCZDA-GOEBONIOSA-N 1 2 281.359 3.466 20 30 CGEDLO C#CCC[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000860124047 639285463 /nfs/dbraw/zinc/28/54/63/639285463.db2.gz LUNLMZGDIROCLL-CQSZACIVSA-N 1 2 251.320 3.208 20 30 CGEDLO C#CCC[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000860124047 639285468 /nfs/dbraw/zinc/28/54/68/639285468.db2.gz LUNLMZGDIROCLL-CQSZACIVSA-N 1 2 251.320 3.208 20 30 CGEDLO C#CC[N@H+](Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC000932463805 639336966 /nfs/dbraw/zinc/33/69/66/639336966.db2.gz JIQMFZOPQQOFQG-UHFFFAOYSA-N 1 2 281.403 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC000932463805 639336972 /nfs/dbraw/zinc/33/69/72/639336972.db2.gz JIQMFZOPQQOFQG-UHFFFAOYSA-N 1 2 281.403 3.165 20 30 CGEDLO C=C[C@H](CC)CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000935643138 639838965 /nfs/dbraw/zinc/83/89/65/639838965.db2.gz YPTKXLZDOLDVFG-OAHLLOKOSA-N 1 2 291.439 3.286 20 30 CGEDLO Cc1noc(C)c1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156068273 639962973 /nfs/dbraw/zinc/96/29/73/639962973.db2.gz GFMJMWQHMCRSIL-UHFFFAOYSA-N 1 2 288.778 3.428 20 30 CGEDLO Cc1noc(C)c1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156068273 639962982 /nfs/dbraw/zinc/96/29/82/639962982.db2.gz GFMJMWQHMCRSIL-UHFFFAOYSA-N 1 2 288.778 3.428 20 30 CGEDLO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000190403291 640245757 /nfs/dbraw/zinc/24/57/57/640245757.db2.gz GFXVAMUVDGSLSH-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061539 640939609 /nfs/dbraw/zinc/93/96/09/640939609.db2.gz ZPZSPYPWRFMRQA-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061539 640939613 /nfs/dbraw/zinc/93/96/13/640939613.db2.gz ZPZSPYPWRFMRQA-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016360181 640996488 /nfs/dbraw/zinc/99/64/88/640996488.db2.gz OUIMAHWARSWPOU-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016360181 640996492 /nfs/dbraw/zinc/99/64/92/640996492.db2.gz OUIMAHWARSWPOU-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO COC1C[C@H]2CC[C@@H](C1)N2c1[nH+]ccc2ccc(C#N)cc21 ZINC001155803678 805612386 /nfs/dbraw/zinc/61/23/86/805612386.db2.gz IBGZDTPLINVWEO-XYPWUTKMSA-N 1 2 293.370 3.253 20 30 CGEDLO COc1cc2c[nH+]c(NC(C)=CC(C)=O)cc2cc1OC ZINC001155891196 805622165 /nfs/dbraw/zinc/62/21/65/805622165.db2.gz QTTPTVIYFMPVIO-YHYXMXQVSA-N 1 2 286.331 3.157 20 30 CGEDLO Cc1nc(C#N)cnc1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001155962465 805629199 /nfs/dbraw/zinc/62/91/99/805629199.db2.gz ORIBUTBXDYZWDA-UHFFFAOYSA-N 1 2 295.390 3.262 20 30 CGEDLO N#Cc1ccc(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1 ZINC001250587604 805709850 /nfs/dbraw/zinc/70/98/50/805709850.db2.gz XJIQMTFBVZBVLJ-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO CCCCCCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001156891314 805746821 /nfs/dbraw/zinc/74/68/21/805746821.db2.gz GHJWQFYQJFAWMP-UHFFFAOYSA-N 1 2 277.412 3.265 20 30 CGEDLO CSc1nc(N[C@H]2CC[C@H](C#N)CC2)cc(C)[nH+]1 ZINC001157049823 805769354 /nfs/dbraw/zinc/76/93/54/805769354.db2.gz HNNHQJJLEUOKDI-XYPYZODXSA-N 1 2 262.382 3.001 20 30 CGEDLO C=CCN(c1nc(NC(C)C)c(C)c[nH+]1)C(C)(C)C ZINC001157583513 805838947 /nfs/dbraw/zinc/83/89/47/805838947.db2.gz ZSTYZFLSXKUXQH-UHFFFAOYSA-N 1 2 262.401 3.396 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001253233619 806187077 /nfs/dbraw/zinc/18/70/77/806187077.db2.gz JJBUOGMPKQNESL-KKUMJFAQSA-N 1 2 275.383 3.256 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001253233619 806187080 /nfs/dbraw/zinc/18/70/80/806187080.db2.gz JJBUOGMPKQNESL-KKUMJFAQSA-N 1 2 275.383 3.256 20 30 CGEDLO SCCCNc1[nH+]cccc1OCc1ccccc1 ZINC001159869554 806188031 /nfs/dbraw/zinc/18/80/31/806188031.db2.gz KCCSFLPNZBCNMM-UHFFFAOYSA-N 1 2 274.389 3.392 20 30 CGEDLO C=C1CC=C(F)C=C1Nc1cc2[nH]c(C(=O)OC)cc2c[nH+]1 ZINC001160721049 806299204 /nfs/dbraw/zinc/29/92/04/806299204.db2.gz VTBBTRNIOHQWGE-UHFFFAOYSA-N 1 2 299.305 3.459 20 30 CGEDLO Cc1cc(NCc2cncc(C#N)c2)[nH+]c2ccccc12 ZINC001160993100 806334767 /nfs/dbraw/zinc/33/47/67/806334767.db2.gz UJCLYSMZXTYZTP-UHFFFAOYSA-N 1 2 274.327 3.422 20 30 CGEDLO Cc1cccc(C(C)(C)CNc2cc(CC#N)cc[nH+]2)n1 ZINC001161642917 806410524 /nfs/dbraw/zinc/41/05/24/806410524.db2.gz RGCAGOGFUJPROG-UHFFFAOYSA-N 1 2 280.375 3.241 20 30 CGEDLO C[C@H]1C[C@H](Nc2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001161691744 806421953 /nfs/dbraw/zinc/42/19/53/806421953.db2.gz QAQHWAULQKENEA-SMDDNHRTSA-N 1 2 267.332 3.086 20 30 CGEDLO C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001161691741 806422032 /nfs/dbraw/zinc/42/20/32/806422032.db2.gz QAQHWAULQKENEA-BXUZGUMPSA-N 1 2 267.332 3.086 20 30 CGEDLO Cc1ccc(CNc2cc(C3(C#N)CC3)cc[nH+]2)o1 ZINC001161765789 806450161 /nfs/dbraw/zinc/45/01/61/806450161.db2.gz UPWHIYBTZDTQBE-UHFFFAOYSA-N 1 2 253.305 3.150 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254644422 806470335 /nfs/dbraw/zinc/47/03/35/806470335.db2.gz XKHKIZLREADBLM-XUXIUFHCSA-N 1 2 280.412 3.025 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H](c2ccnc(F)c2)C2CC2)c1 ZINC001161845716 806471074 /nfs/dbraw/zinc/47/10/74/806471074.db2.gz LVCQEEXDNLNGFA-INIZCTEOSA-N 1 2 282.322 3.245 20 30 CGEDLO CC(C)c1nc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC001254670301 806481993 /nfs/dbraw/zinc/48/19/93/806481993.db2.gz ILJXYKPMAYPYON-YPMHNXCESA-N 1 2 263.410 3.391 20 30 CGEDLO CC(C)c1nc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cs1 ZINC001254670301 806481995 /nfs/dbraw/zinc/48/19/95/806481995.db2.gz ILJXYKPMAYPYON-YPMHNXCESA-N 1 2 263.410 3.391 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1COc2cc(Br)ccc21 ZINC001255159719 806558195 /nfs/dbraw/zinc/55/81/95/806558195.db2.gz ANDJWUOOCJEHNH-CMPLNLGQSA-N 1 2 295.180 3.164 20 30 CGEDLO N#CC1(CNc2cc3c4c(c2)CCC[NH+]4CCC3)CCC1 ZINC001162412303 806580858 /nfs/dbraw/zinc/58/08/58/806580858.db2.gz PDHLRTRLAXUTHY-UHFFFAOYSA-N 1 2 281.403 3.491 20 30 CGEDLO C#CC1(Nc2cc(CCC)[nH+]c(C)n2)CCCCC1 ZINC001162479440 806595229 /nfs/dbraw/zinc/59/52/29/806595229.db2.gz FOCCRINBOFOBGO-UHFFFAOYSA-N 1 2 257.381 3.486 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000157681391 799069735 /nfs/dbraw/zinc/06/97/35/799069735.db2.gz BPOFKIQGSHXLBY-LLVKDONJSA-N 1 2 255.159 3.060 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000157681391 799069744 /nfs/dbraw/zinc/06/97/44/799069744.db2.gz BPOFKIQGSHXLBY-LLVKDONJSA-N 1 2 255.159 3.060 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000698149825 799852934 /nfs/dbraw/zinc/85/29/34/799852934.db2.gz JOEPUHCOYIIEAD-UHFFFAOYSA-N 1 2 264.687 3.234 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C(C)C ZINC000932388364 800664377 /nfs/dbraw/zinc/66/43/77/800664377.db2.gz HVNQLONHLXIVLK-UHFFFAOYSA-N 1 2 290.313 3.463 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)C(C)C ZINC000932388364 800664379 /nfs/dbraw/zinc/66/43/79/800664379.db2.gz HVNQLONHLXIVLK-UHFFFAOYSA-N 1 2 290.313 3.463 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000934459224 800678747 /nfs/dbraw/zinc/67/87/47/800678747.db2.gz DIQUWFNCBAZECS-OAHLLOKOSA-N 1 2 292.386 3.203 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000934459224 800678751 /nfs/dbraw/zinc/67/87/51/800678751.db2.gz DIQUWFNCBAZECS-OAHLLOKOSA-N 1 2 292.386 3.203 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCCOc3ccccc3F)c2)CC1 ZINC001163954828 806859474 /nfs/dbraw/zinc/85/94/74/806859474.db2.gz ZJAUTHBPWQEGDX-UHFFFAOYSA-N 1 2 297.333 3.267 20 30 CGEDLO C=C1CCC(C(=O)NC2C[NH+](Cc3cccc(C)c3)C2)CC1 ZINC001030899342 800900218 /nfs/dbraw/zinc/90/02/18/800900218.db2.gz AEZLYCUSVVXZFK-UHFFFAOYSA-N 1 2 298.430 3.042 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001042846868 801215669 /nfs/dbraw/zinc/21/56/69/801215669.db2.gz QYWUCVLFTPLDSY-UHFFFAOYSA-N 1 2 298.430 3.286 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071322970 801527212 /nfs/dbraw/zinc/52/72/12/801527212.db2.gz ZMBUEAITUQWBIE-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071322970 801527221 /nfs/dbraw/zinc/52/72/21/801527221.db2.gz ZMBUEAITUQWBIE-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099084740 801927823 /nfs/dbraw/zinc/92/78/23/801927823.db2.gz FZAOARVVLRBDMR-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099084740 801927830 /nfs/dbraw/zinc/92/78/30/801927830.db2.gz FZAOARVVLRBDMR-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1[nH+]c(N2CC(F)(F)C[C@@]2(C)CF)ccc1CC#N ZINC001164568235 806958364 /nfs/dbraw/zinc/95/83/64/806958364.db2.gz RYBIEDFQAJWFSJ-ZDUSSCGKSA-N 1 2 283.297 3.030 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCC1)C2 ZINC001110926780 802150967 /nfs/dbraw/zinc/15/09/67/802150967.db2.gz UDXSEUTZQZXMIJ-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCC1)C2 ZINC001110926780 802150973 /nfs/dbraw/zinc/15/09/73/802150973.db2.gz UDXSEUTZQZXMIJ-MCIONIFRSA-N 1 2 296.842 3.041 20 30 CGEDLO CC(C)COCC[C@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172474777 808340092 /nfs/dbraw/zinc/34/00/92/808340092.db2.gz VWSRNQTZUJHAIU-INIZCTEOSA-N 1 2 289.423 3.248 20 30 CGEDLO CC(C)COCC[C@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172474777 808340100 /nfs/dbraw/zinc/34/01/00/808340100.db2.gz VWSRNQTZUJHAIU-INIZCTEOSA-N 1 2 289.423 3.248 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(F)cc1 ZINC001117392237 802464761 /nfs/dbraw/zinc/46/47/61/802464761.db2.gz PLTYKHQXZXEBHH-YFHOEESVSA-N 1 2 270.307 3.183 20 30 CGEDLO Cc1ccc([C@H](C#N)c2ccc(C3=C[NH2+]CCC3)nn2)cc1 ZINC001243948153 803094118 /nfs/dbraw/zinc/09/41/18/803094118.db2.gz VWUWSNWLGDDGAS-INIZCTEOSA-N 1 2 290.370 3.165 20 30 CGEDLO N#Cc1c(C#N)c(C2=C[NH2+]CCC2)nc2c1CCCCCC2 ZINC001243949166 803094560 /nfs/dbraw/zinc/09/45/60/803094560.db2.gz SJLOUTBILDNYRW-UHFFFAOYSA-N 1 2 292.386 3.208 20 30 CGEDLO N#Cc1ccc(-c2cc[nH+]c(N3CCCCC3)c2)c(N)c1 ZINC001244083935 803177195 /nfs/dbraw/zinc/17/71/95/803177195.db2.gz IISYPUMNTULGPK-UHFFFAOYSA-N 1 2 278.359 3.193 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131815982 803349046 /nfs/dbraw/zinc/34/90/46/803349046.db2.gz ANVQRRFIIPXWIP-QWHCGFSZSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131815982 803349057 /nfs/dbraw/zinc/34/90/57/803349057.db2.gz ANVQRRFIIPXWIP-QWHCGFSZSA-N 1 2 286.847 3.144 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132069264 803371698 /nfs/dbraw/zinc/37/16/98/803371698.db2.gz RLEMBDIPNPSNGJ-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132069264 803371703 /nfs/dbraw/zinc/37/17/03/803371703.db2.gz RLEMBDIPNPSNGJ-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132228277 803384196 /nfs/dbraw/zinc/38/41/96/803384196.db2.gz OJBVTNCDECQDKC-QQMNEEJDSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132228277 803384203 /nfs/dbraw/zinc/38/42/03/803384203.db2.gz OJBVTNCDECQDKC-QQMNEEJDSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(=[NH+]\COC)c1cc(F)cc(N2CCCCC2)c1 ZINC001244820860 803537071 /nfs/dbraw/zinc/53/70/71/803537071.db2.gz OTTCXKZRBHLZFH-FBMGVBCBSA-N 1 2 276.355 3.395 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057910 803677583 /nfs/dbraw/zinc/67/75/83/803677583.db2.gz WEPDIQXCVIRENU-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057910 803677585 /nfs/dbraw/zinc/67/75/85/803677585.db2.gz WEPDIQXCVIRENU-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC001137599132 803743776 /nfs/dbraw/zinc/74/37/76/803743776.db2.gz CXVDORRXUJIYOJ-INIZCTEOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cscn3)C2)cc1 ZINC001137599132 803743780 /nfs/dbraw/zinc/74/37/80/803743780.db2.gz CXVDORRXUJIYOJ-INIZCTEOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cscn3)C2)cc1 ZINC001137599133 803743998 /nfs/dbraw/zinc/74/39/98/803743998.db2.gz CXVDORRXUJIYOJ-MRXNPFEDSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc1 ZINC001137599133 803744001 /nfs/dbraw/zinc/74/40/01/803744001.db2.gz CXVDORRXUJIYOJ-MRXNPFEDSA-N 1 2 299.399 3.058 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(C#N)c1 ZINC001137705997 803761818 /nfs/dbraw/zinc/76/18/18/803761818.db2.gz KFLSFGRFPOIWBQ-UHFFFAOYSA-N 1 2 291.354 3.071 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C#N)c1 ZINC001137705997 803761823 /nfs/dbraw/zinc/76/18/23/803761823.db2.gz KFLSFGRFPOIWBQ-UHFFFAOYSA-N 1 2 291.354 3.071 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882890 803795071 /nfs/dbraw/zinc/79/50/71/803795071.db2.gz JZCIQYYFXMIWBF-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(Cl)c2F)C1 ZINC001137882890 803795078 /nfs/dbraw/zinc/79/50/78/803795078.db2.gz JZCIQYYFXMIWBF-JTQLQIEISA-N 1 2 269.722 3.463 20 30 CGEDLO Cc1cc(-c2ccc(C#C[Si](C)(C)C)nc2)c[nH+]c1N ZINC001245539636 803798506 /nfs/dbraw/zinc/79/85/06/803798506.db2.gz HZPVNUGOIVHBMY-UHFFFAOYSA-N 1 2 281.435 3.263 20 30 CGEDLO C#CC[N@@H+](Cc1cccnc1F)[C@@H]1CCc2ccccc21 ZINC001138788070 804040731 /nfs/dbraw/zinc/04/07/31/804040731.db2.gz SJPGCLYSBCSACI-QGZVFWFLSA-N 1 2 280.346 3.343 20 30 CGEDLO C#CC[N@H+](Cc1cccnc1F)[C@@H]1CCc2ccccc21 ZINC001138788070 804040739 /nfs/dbraw/zinc/04/07/39/804040739.db2.gz SJPGCLYSBCSACI-QGZVFWFLSA-N 1 2 280.346 3.343 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519010 804199407 /nfs/dbraw/zinc/19/94/07/804199407.db2.gz KEHLUVAAMPAIIN-AWEZNQCLSA-N 1 2 263.344 3.094 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139519010 804199410 /nfs/dbraw/zinc/19/94/10/804199410.db2.gz KEHLUVAAMPAIIN-AWEZNQCLSA-N 1 2 263.344 3.094 20 30 CGEDLO COc1ccc(-c2ncc(C[NH+]3CC(CC#N)C3)s2)cc1 ZINC001139790396 804280116 /nfs/dbraw/zinc/28/01/16/804280116.db2.gz RPHMESCJLRDBJI-UHFFFAOYSA-N 1 2 299.399 3.164 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(COC)s1 ZINC001139826862 804290991 /nfs/dbraw/zinc/29/09/91/804290991.db2.gz DMLMAGYQLYHMLG-UHFFFAOYSA-N 1 2 266.410 3.410 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(COC)s1 ZINC001139826862 804290995 /nfs/dbraw/zinc/29/09/95/804290995.db2.gz DMLMAGYQLYHMLG-UHFFFAOYSA-N 1 2 266.410 3.410 20 30 CGEDLO O=C1C=C2C[N@@H+](Cc3cc4ccccc4cn3)CC[C@H]2S1 ZINC001139996946 804347436 /nfs/dbraw/zinc/34/74/36/804347436.db2.gz VYMQQBVBFVWXQJ-MRXNPFEDSA-N 1 2 296.395 3.009 20 30 CGEDLO O=C1C=C2C[N@H+](Cc3cc4ccccc4cn3)CC[C@H]2S1 ZINC001139996946 804347443 /nfs/dbraw/zinc/34/74/43/804347443.db2.gz VYMQQBVBFVWXQJ-MRXNPFEDSA-N 1 2 296.395 3.009 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(-c3cccc(F)c3)s2)C1 ZINC001140416997 804429688 /nfs/dbraw/zinc/42/96/88/804429688.db2.gz XHPJBKSVXWTZEJ-UHFFFAOYSA-N 1 2 287.363 3.295 20 30 CGEDLO C[N@H+](Cc1ccncc1)Cc1cccc(C#N)c1Cl ZINC001140808581 804525469 /nfs/dbraw/zinc/52/54/69/804525469.db2.gz WPMFBHVXXLJIFN-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccncc1)Cc1cccc(C#N)c1Cl ZINC001140808581 804525474 /nfs/dbraw/zinc/52/54/74/804525474.db2.gz WPMFBHVXXLJIFN-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C=CCCCNC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142374950 804721157 /nfs/dbraw/zinc/72/11/57/804721157.db2.gz YXHSWGHVELUEPC-MDZDMXLPSA-N 1 2 295.386 3.027 20 30 CGEDLO C[N@H+](Cc1ccccc1O)Cc1c(F)ccc(C#N)c1F ZINC001143174806 804816145 /nfs/dbraw/zinc/81/61/45/804816145.db2.gz ZOJHRZJERXNBBF-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccccc1O)Cc1c(F)ccc(C#N)c1F ZINC001143174806 804816154 /nfs/dbraw/zinc/81/61/54/804816154.db2.gz ZOJHRZJERXNBBF-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO CCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(F)c1F ZINC001143278254 804830760 /nfs/dbraw/zinc/83/07/60/804830760.db2.gz ARKIJCQQEHECLP-UHFFFAOYSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001143495579 804857930 /nfs/dbraw/zinc/85/79/30/804857930.db2.gz PIHREJYTHZIQNS-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143495579 804857932 /nfs/dbraw/zinc/85/79/32/804857932.db2.gz PIHREJYTHZIQNS-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143508493 804861292 /nfs/dbraw/zinc/86/12/92/804861292.db2.gz JRYGUDJZUQJSNZ-UHFFFAOYSA-N 1 2 285.696 3.427 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001144755752 805053500 /nfs/dbraw/zinc/05/35/00/805053500.db2.gz WWANSMYMIKLOQV-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001144755752 805053508 /nfs/dbraw/zinc/05/35/08/805053508.db2.gz WWANSMYMIKLOQV-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C[C@H](C#N)c1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC001148607518 805198714 /nfs/dbraw/zinc/19/87/14/805198714.db2.gz GZYVEGVBUYFZLL-GFCCVEGCSA-N 1 2 290.326 3.214 20 30 CGEDLO CC(C)(C#N)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257007518 807024646 /nfs/dbraw/zinc/02/46/46/807024646.db2.gz ANPAZKJGHICMKZ-UHFFFAOYSA-N 1 2 267.376 3.476 20 30 CGEDLO CCCC[C@H](CC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257418468 807146248 /nfs/dbraw/zinc/14/62/48/807146248.db2.gz DKMIPSBJGNMVDG-QWHCGFSZSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCC[C@H](CC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257418468 807146249 /nfs/dbraw/zinc/14/62/49/807146249.db2.gz DKMIPSBJGNMVDG-QWHCGFSZSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCCC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257513281 807188278 /nfs/dbraw/zinc/18/82/78/807188278.db2.gz SCTMOZQDQUHOAR-AAEUAGOBSA-N 1 2 253.411 3.229 20 30 CGEDLO CCCCC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257513281 807188279 /nfs/dbraw/zinc/18/82/79/807188279.db2.gz SCTMOZQDQUHOAR-AAEUAGOBSA-N 1 2 253.411 3.229 20 30 CGEDLO N#Cc1ccccc1CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001167637206 807222326 /nfs/dbraw/zinc/22/23/26/807222326.db2.gz MDPPHDQPWUCHGI-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)C[C@H](C1)C2 ZINC001257890986 807241196 /nfs/dbraw/zinc/24/11/96/807241196.db2.gz CVYIKVKIIMUHIJ-AMFJVREVSA-N 1 2 289.444 3.395 20 30 CGEDLO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4SC(=O)C=C4C3)C[C@H](C1)C2 ZINC001257890986 807241200 /nfs/dbraw/zinc/24/12/00/807241200.db2.gz CVYIKVKIIMUHIJ-AMFJVREVSA-N 1 2 289.444 3.395 20 30 CGEDLO CCCCCCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258045196 807274256 /nfs/dbraw/zinc/27/42/56/807274256.db2.gz YHOVIZANDFTJGT-STQMWFEESA-N 1 2 263.372 3.437 20 30 CGEDLO CCCCCCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258045196 807274258 /nfs/dbraw/zinc/27/42/58/807274258.db2.gz YHOVIZANDFTJGT-STQMWFEESA-N 1 2 263.372 3.437 20 30 CGEDLO CC1(C)CCC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001258284826 807395338 /nfs/dbraw/zinc/39/53/38/807395338.db2.gz IMMMQPHWOINEEL-CHWSQXEVSA-N 1 2 265.422 3.229 20 30 CGEDLO CC1(C)CCC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001258284826 807395344 /nfs/dbraw/zinc/39/53/44/807395344.db2.gz IMMMQPHWOINEEL-CHWSQXEVSA-N 1 2 265.422 3.229 20 30 CGEDLO N#CC1([NH2+]C2CCN(c3ccccc3)CC2)CCCCC1 ZINC001258505520 807480932 /nfs/dbraw/zinc/48/09/32/807480932.db2.gz WIDRKUVMNMXJKF-UHFFFAOYSA-N 1 2 283.419 3.471 20 30 CGEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258520820 807483376 /nfs/dbraw/zinc/48/33/76/807483376.db2.gz MRIVIYYTWXBQAO-OAHLLOKOSA-N 1 2 294.439 3.226 20 30 CGEDLO CCCC[N@H+](CC#N)C1CCN(c2ccccc2)CC1 ZINC001258515350 807483563 /nfs/dbraw/zinc/48/35/63/807483563.db2.gz QAMWEZSTZODMMB-UHFFFAOYSA-N 1 2 271.408 3.281 20 30 CGEDLO CCCC[N@@H+](CC#N)C1CCN(c2ccccc2)CC1 ZINC001258515350 807483565 /nfs/dbraw/zinc/48/35/65/807483565.db2.gz QAMWEZSTZODMMB-UHFFFAOYSA-N 1 2 271.408 3.281 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(OC)cc1C#N ZINC001212780950 815135105 /nfs/dbraw/zinc/13/51/05/815135105.db2.gz QBOBBVIVDFYVOQ-UHFFFAOYSA-N 1 2 269.304 3.104 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1nccc(Cl)n1 ZINC001170541385 807852225 /nfs/dbraw/zinc/85/22/25/807852225.db2.gz LASWBKKZGUWUHC-UHFFFAOYSA-N 1 2 274.755 3.174 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933645 807938255 /nfs/dbraw/zinc/93/82/55/807938255.db2.gz JDNJKODVIDZFLS-JSGCOSHPSA-N 1 2 274.795 3.433 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170933645 807938258 /nfs/dbraw/zinc/93/82/58/807938258.db2.gz JDNJKODVIDZFLS-JSGCOSHPSA-N 1 2 274.795 3.433 20 30 CGEDLO CC[C@@H](C)OCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172340866 808242076 /nfs/dbraw/zinc/24/20/76/808242076.db2.gz RNPRCTGQSYMKEO-HZPDHXFCSA-N 1 2 289.423 3.391 20 30 CGEDLO CC[C@@H](C)OCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172340866 808242081 /nfs/dbraw/zinc/24/20/81/808242081.db2.gz RNPRCTGQSYMKEO-HZPDHXFCSA-N 1 2 289.423 3.391 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001266437684 808264159 /nfs/dbraw/zinc/26/41/59/808264159.db2.gz IYCPSIGQKLXPHD-MRXNPFEDSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001266437684 808264167 /nfs/dbraw/zinc/26/41/67/808264167.db2.gz IYCPSIGQKLXPHD-MRXNPFEDSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001266461349 808271575 /nfs/dbraw/zinc/27/15/75/808271575.db2.gz NUFRMNAOFXCDJT-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001266461349 808271581 /nfs/dbraw/zinc/27/15/81/808271581.db2.gz NUFRMNAOFXCDJT-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO N#Cc1cc(F)c(Nc2cccc3[nH+]c[nH]c32)c(F)c1 ZINC001213031598 815205874 /nfs/dbraw/zinc/20/58/74/815205874.db2.gz ILCWOLKHLJXOFR-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173339596 808620180 /nfs/dbraw/zinc/62/01/80/808620180.db2.gz PEDDKRLBKZADMI-KGLIPLIRSA-N 1 2 299.480 3.331 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001268753124 808623374 /nfs/dbraw/zinc/62/33/74/808623374.db2.gz OYCDMRFVEAHTGQ-GXTWGEPZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001268753124 808623382 /nfs/dbraw/zinc/62/33/82/808623382.db2.gz OYCDMRFVEAHTGQ-GXTWGEPZSA-N 1 2 288.863 3.248 20 30 CGEDLO CC(=O)Oc1ccc(C2CCC([N@H+](C)CC#N)CC2)cc1 ZINC001173789687 808671012 /nfs/dbraw/zinc/67/10/12/808671012.db2.gz PMRIGFIWGCZDSB-UHFFFAOYSA-N 1 2 286.375 3.093 20 30 CGEDLO CC(=O)Oc1ccc(C2CCC([N@@H+](C)CC#N)CC2)cc1 ZINC001173789687 808671016 /nfs/dbraw/zinc/67/10/16/808671016.db2.gz PMRIGFIWGCZDSB-UHFFFAOYSA-N 1 2 286.375 3.093 20 30 CGEDLO N#Cc1cccnc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085711 815228644 /nfs/dbraw/zinc/22/86/44/815228644.db2.gz SYCRIEGSBOFFIX-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CC ZINC001275629243 808952564 /nfs/dbraw/zinc/95/25/64/808952564.db2.gz LEWRLEPDBXTDDZ-ZDUSSCGKSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CC ZINC001275629243 808952572 /nfs/dbraw/zinc/95/25/72/808952572.db2.gz LEWRLEPDBXTDDZ-ZDUSSCGKSA-N 1 2 294.826 3.052 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCCC)[C@@H]1C ZINC001284103052 809295957 /nfs/dbraw/zinc/29/59/57/809295957.db2.gz RNENTOYBHLXRSE-KBPBESRZSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCCC)[C@@H]1C ZINC001284103052 809295959 /nfs/dbraw/zinc/29/59/59/809295959.db2.gz RNENTOYBHLXRSE-KBPBESRZSA-N 1 2 286.847 3.288 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)C)c(C)c2)cc[nH+]1 ZINC001175189846 809301803 /nfs/dbraw/zinc/30/18/03/809301803.db2.gz BRSSFAOQVAKHAS-UHFFFAOYSA-N 1 2 266.344 3.324 20 30 CGEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1N ZINC001213427474 815280591 /nfs/dbraw/zinc/28/05/91/815280591.db2.gz ZIJKSEXTXADEHB-UHFFFAOYSA-N 1 2 293.374 3.269 20 30 CGEDLO Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)cnc1C#N ZINC001175347308 809371670 /nfs/dbraw/zinc/37/16/70/809371670.db2.gz HXINBMIDYHRSDF-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175351339 809372616 /nfs/dbraw/zinc/37/26/16/809372616.db2.gz QULMQTKXSAIULK-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO N#Cc1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712497 809517772 /nfs/dbraw/zinc/51/77/72/809517772.db2.gz BXZHQJFIENDKHV-UHFFFAOYSA-N 1 2 278.237 3.298 20 30 CGEDLO C=C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001301268168 809580948 /nfs/dbraw/zinc/58/09/48/809580948.db2.gz IWYVMLZZRAHYQG-HNNXBMFYSA-N 1 2 277.327 3.243 20 30 CGEDLO COc1ccc(C#N)cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184965024 810226351 /nfs/dbraw/zinc/22/63/51/810226351.db2.gz QLYJQZCCCNJARN-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO N#Cc1ccc(F)cc1NCCCCNc1cccc[nH+]1 ZINC001185171635 810240646 /nfs/dbraw/zinc/24/06/46/810240646.db2.gz ZSQJHUDOZFLWRJ-UHFFFAOYSA-N 1 2 284.338 3.397 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(C)c2Cl)cc[nH+]1 ZINC001214071791 815364825 /nfs/dbraw/zinc/36/48/25/815364825.db2.gz MPLBMTKNYKFUMS-UHFFFAOYSA-N 1 2 260.699 3.329 20 30 CGEDLO Cc1nnc(C[N@H+](Cc2cccc(C#N)c2)C(C)(C)C)o1 ZINC001191731974 810734382 /nfs/dbraw/zinc/73/43/82/810734382.db2.gz ZRHRUXJJPWZDCT-UHFFFAOYSA-N 1 2 284.363 3.050 20 30 CGEDLO Cc1nnc(C[N@@H+](Cc2cccc(C#N)c2)C(C)(C)C)o1 ZINC001191731974 810734384 /nfs/dbraw/zinc/73/43/84/810734384.db2.gz ZRHRUXJJPWZDCT-UHFFFAOYSA-N 1 2 284.363 3.050 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001194627230 811097317 /nfs/dbraw/zinc/09/73/17/811097317.db2.gz WULZWMZELZICJN-UHFFFAOYSA-N 1 2 292.423 3.290 20 30 CGEDLO C=CC[N@H+](CCC#N)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001194627230 811097327 /nfs/dbraw/zinc/09/73/27/811097327.db2.gz WULZWMZELZICJN-UHFFFAOYSA-N 1 2 292.423 3.290 20 30 CGEDLO CCCCCCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201804883 811966495 /nfs/dbraw/zinc/96/64/95/811966495.db2.gz WFHZQHIUSKXXEG-CYBMUJFWSA-N 1 2 263.372 3.439 20 30 CGEDLO CCCCCCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201804883 811966501 /nfs/dbraw/zinc/96/65/01/811966501.db2.gz WFHZQHIUSKXXEG-CYBMUJFWSA-N 1 2 263.372 3.439 20 30 CGEDLO COC(=O)CCC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001202239962 812048266 /nfs/dbraw/zinc/04/82/66/812048266.db2.gz DMQMVCKPYLKULY-UHFFFAOYSA-N 1 2 294.782 3.009 20 30 CGEDLO COC(=O)CCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001202239962 812048268 /nfs/dbraw/zinc/04/82/68/812048268.db2.gz DMQMVCKPYLKULY-UHFFFAOYSA-N 1 2 294.782 3.009 20 30 CGEDLO N#CCC[N@@H+](CCCC(F)(F)F)Cc1cccnc1 ZINC001202377190 812079574 /nfs/dbraw/zinc/07/95/74/812079574.db2.gz BBVROMWDIAJGBT-UHFFFAOYSA-N 1 2 271.286 3.140 20 30 CGEDLO N#CCC[N@H+](CCCC(F)(F)F)Cc1cccnc1 ZINC001202377190 812079584 /nfs/dbraw/zinc/07/95/84/812079584.db2.gz BBVROMWDIAJGBT-UHFFFAOYSA-N 1 2 271.286 3.140 20 30 CGEDLO Cc1ccc(-n2cc(C#N)c3ccc(N)cc32)c(C)[nH+]1 ZINC001203375719 812331510 /nfs/dbraw/zinc/33/15/10/812331510.db2.gz AFYNGJKMJNCPKU-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO CNc1ccc(Nc2ccc(C(C)(C)C#N)nc2)c[nH+]1 ZINC001203449059 812360414 /nfs/dbraw/zinc/36/04/14/812360414.db2.gz YDQCMXUCYUEJCM-UHFFFAOYSA-N 1 2 267.336 3.063 20 30 CGEDLO CNc1ccc(Nc2cccnc2C#C[Si](C)(C)C)c[nH+]1 ZINC001203449099 812361239 /nfs/dbraw/zinc/36/12/39/812361239.db2.gz ZOJSAOHXFQKNSH-UHFFFAOYSA-N 1 2 296.450 3.491 20 30 CGEDLO CNc1ccc(Nc2cc(Cl)ccc2C#N)c[nH+]1 ZINC001203459153 812368326 /nfs/dbraw/zinc/36/83/26/812368326.db2.gz XNXGMVHVHOWNIV-UHFFFAOYSA-N 1 2 258.712 3.392 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2ccc(Cl)nc2C#N)c1 ZINC001203654961 812417811 /nfs/dbraw/zinc/41/78/11/812417811.db2.gz VEPGBOCLQNULQC-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO COC(=O)c1cc(C#N)ccc1Nc1cc(C)c[nH+]c1C ZINC001203663865 812422238 /nfs/dbraw/zinc/42/22/38/812422238.db2.gz UZSFIMKCUACJCA-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO Cc1cc(C#N)cc(C)c1Nc1[nH+]cccc1N(C)C ZINC001215646246 815551590 /nfs/dbraw/zinc/55/15/90/815551590.db2.gz WGCMMLDLQWGJER-UHFFFAOYSA-N 1 2 266.348 3.380 20 30 CGEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)c2cccnc12 ZINC001205006546 812823837 /nfs/dbraw/zinc/82/38/37/812823837.db2.gz ZUWFXJCDFAGGBH-UHFFFAOYSA-N 1 2 285.310 3.498 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C)c(F)cc1Br ZINC001205568218 813005720 /nfs/dbraw/zinc/00/57/20/813005720.db2.gz GVSSKCDGRYKPGE-JTQLQIEISA-N 1 2 284.172 3.350 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C)c(F)cc1Br ZINC001205568218 813005727 /nfs/dbraw/zinc/00/57/27/813005727.db2.gz GVSSKCDGRYKPGE-JTQLQIEISA-N 1 2 284.172 3.350 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cncc(OCC)c1)c1ccc(F)cc1 ZINC001205981289 813152081 /nfs/dbraw/zinc/15/20/81/813152081.db2.gz YMZMIVZSMXTTER-QGZVFWFLSA-N 1 2 284.334 3.084 20 30 CGEDLO COc1ccc(-c2cc(C[NH+]3CCC(C#N)CC3)no2)cc1 ZINC001206823041 813446787 /nfs/dbraw/zinc/44/67/87/813446787.db2.gz GBWKQNFROSZOEO-UHFFFAOYSA-N 1 2 297.358 3.086 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001206927228 813459405 /nfs/dbraw/zinc/45/94/05/813459405.db2.gz QYOBPERNFXBAFB-YRGRVCCFSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001206927228 813459412 /nfs/dbraw/zinc/45/94/12/813459412.db2.gz QYOBPERNFXBAFB-YRGRVCCFSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(=O)OCC ZINC001207334925 813543599 /nfs/dbraw/zinc/54/35/99/813543599.db2.gz VVQRNVYCYKFCCO-HZSPNIEDSA-N 1 2 285.453 3.004 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3cccc(F)c3)CC[C@H]2S1 ZINC001207599622 813608480 /nfs/dbraw/zinc/60/84/80/813608480.db2.gz AYTDVHDIBMTFJM-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3cccc(F)c3)CC[C@H]2S1 ZINC001207599622 813608484 /nfs/dbraw/zinc/60/84/84/813608484.db2.gz AYTDVHDIBMTFJM-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO C[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1cc(C#N)cs1 ZINC001207685015 813635109 /nfs/dbraw/zinc/63/51/09/813635109.db2.gz LQYBDFOTBNYHLC-UHFFFAOYSA-N 1 2 299.355 3.099 20 30 CGEDLO C[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1cc(C#N)cs1 ZINC001207685015 813635118 /nfs/dbraw/zinc/63/51/18/813635118.db2.gz LQYBDFOTBNYHLC-UHFFFAOYSA-N 1 2 299.355 3.099 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)C)cc2F)cc[nH+]1 ZINC001209833201 814156406 /nfs/dbraw/zinc/15/64/06/814156406.db2.gz XIJOKTHBXAIYQR-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO C#Cc1cc(Nc2cccnc2OC2CCCCC2)cc[nH+]1 ZINC001210028061 814251608 /nfs/dbraw/zinc/25/16/08/814251608.db2.gz RBKJBLJDRJYHLV-UHFFFAOYSA-N 1 2 293.370 3.335 20 30 CGEDLO N#Cc1cncc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC001210084094 814279288 /nfs/dbraw/zinc/27/92/88/814279288.db2.gz MGDLHQHEHITGBZ-UHFFFAOYSA-N 1 2 280.718 3.320 20 30 CGEDLO COc1cccc(Nc2[nH+]c(C)ccc2C)c1C#N ZINC001210120487 814298628 /nfs/dbraw/zinc/29/86/28/814298628.db2.gz JOYVXAJDFLXIOR-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cnc1C#N ZINC001210204451 814339283 /nfs/dbraw/zinc/33/92/83/814339283.db2.gz YOTSVTLWJZNAJD-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO Cc1nc(Nc2cccc3cc[nH+]cc32)c(C#N)cc1C#N ZINC001210223890 814351726 /nfs/dbraw/zinc/35/17/26/814351726.db2.gz HJEYAYAHOYKWOX-UHFFFAOYSA-N 1 2 285.310 3.425 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccc(F)c(-n3cc[nH+]c3)c2)C1 ZINC001242743293 823119577 /nfs/dbraw/zinc/11/95/77/823119577.db2.gz PEZQTHLPVOUUNM-LLVKDONJSA-N 1 2 270.307 3.394 20 30 CGEDLO Cc1ccc(Nc2[nH+]c3ccccc3n2C)c(C#N)c1 ZINC001210565432 814530622 /nfs/dbraw/zinc/53/06/22/814530622.db2.gz MZHDFUSQTYTTLR-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCC(F)(F)F)cc2)cc[nH+]1 ZINC001210741470 814607174 /nfs/dbraw/zinc/60/71/74/814607174.db2.gz RAGJWHVARLENRG-UHFFFAOYSA-N 1 2 292.260 3.170 20 30 CGEDLO CC[N@H+](C)c1ccc(NC2=CC(=O)C[C@@H](C)C2)cc1 ZINC001210776426 814622356 /nfs/dbraw/zinc/62/23/56/814622356.db2.gz PDWXCJOWAIRQBK-LBPRGKRZSA-N 1 2 258.365 3.438 20 30 CGEDLO CC[N@@H+](C)c1ccc(NC2=CC(=O)C[C@@H](C)C2)cc1 ZINC001210776426 814622360 /nfs/dbraw/zinc/62/23/60/814622360.db2.gz PDWXCJOWAIRQBK-LBPRGKRZSA-N 1 2 258.365 3.438 20 30 CGEDLO CCCn1nccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001242845823 823151087 /nfs/dbraw/zinc/15/10/87/823151087.db2.gz CIYMFCLTFGVGAT-LDADJPATSA-N 1 2 281.363 3.053 20 30 CGEDLO CCCCCCC[C@H](CCC)OC[C@H]([NH3+])C(=O)OC ZINC001217898367 815995859 /nfs/dbraw/zinc/99/58/59/815995859.db2.gz WNEQIGSEMVLOIR-KBPBESRZSA-N 1 2 273.417 3.033 20 30 CGEDLO CCCCCCCCC[C@H](C)OC[C@H]([NH3+])C(=O)OC ZINC001217897278 815995991 /nfs/dbraw/zinc/99/59/91/815995991.db2.gz ONUHDLBIAVMWLM-KBPBESRZSA-N 1 2 273.417 3.033 20 30 CGEDLO C=C[C@H](CC)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704621 817441065 /nfs/dbraw/zinc/44/10/65/817441065.db2.gz MBBJXTRDUDVBMH-OAHLLOKOSA-N 1 2 297.402 3.311 20 30 CGEDLO C=C[C@H](CC)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704621 817441069 /nfs/dbraw/zinc/44/10/69/817441069.db2.gz MBBJXTRDUDVBMH-OAHLLOKOSA-N 1 2 297.402 3.311 20 30 CGEDLO C#C[C@@H](CCCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228087180 817808991 /nfs/dbraw/zinc/80/89/91/817808991.db2.gz DZKYQISPWZYVBT-HNNXBMFYSA-N 1 2 271.360 3.241 20 30 CGEDLO CC(=O)C[N@@H+](C)Cc1ccccc1C#Cc1ccccc1 ZINC001231576478 818125984 /nfs/dbraw/zinc/12/59/84/818125984.db2.gz ABMLNRLELJTHGN-UHFFFAOYSA-N 1 2 277.367 3.107 20 30 CGEDLO CC(=O)C[N@H+](C)Cc1ccccc1C#Cc1ccccc1 ZINC001231576478 818125989 /nfs/dbraw/zinc/12/59/89/818125989.db2.gz ABMLNRLELJTHGN-UHFFFAOYSA-N 1 2 277.367 3.107 20 30 CGEDLO Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCC#N ZINC001232001716 818228646 /nfs/dbraw/zinc/22/86/46/818228646.db2.gz GPAWZMBHUABLRX-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCC#N ZINC001232001716 818228640 /nfs/dbraw/zinc/22/86/40/818228640.db2.gz GPAWZMBHUABLRX-UHFFFAOYSA-N 1 2 256.271 3.359 20 30 CGEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232111911 818258188 /nfs/dbraw/zinc/25/81/88/818258188.db2.gz MDVXCSLZQIEOSF-BXKDBHETSA-N 1 2 252.720 3.144 20 30 CGEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232111911 818258190 /nfs/dbraw/zinc/25/81/90/818258190.db2.gz MDVXCSLZQIEOSF-BXKDBHETSA-N 1 2 252.720 3.144 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cnc(-c2cccnc2)o1 ZINC001232139718 818261565 /nfs/dbraw/zinc/26/15/65/818261565.db2.gz QUVXATYFUKDEFQ-UHFFFAOYSA-N 1 2 284.363 3.252 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cnc(-c2cccnc2)o1 ZINC001232139718 818261569 /nfs/dbraw/zinc/26/15/69/818261569.db2.gz QUVXATYFUKDEFQ-UHFFFAOYSA-N 1 2 284.363 3.252 20 30 CGEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001232480614 818364913 /nfs/dbraw/zinc/36/49/13/818364913.db2.gz GHUNBVBILCSCAS-KRWDZBQOSA-N 1 2 278.359 3.075 20 30 CGEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001232480614 818364920 /nfs/dbraw/zinc/36/49/20/818364920.db2.gz GHUNBVBILCSCAS-KRWDZBQOSA-N 1 2 278.359 3.075 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001232605162 818394761 /nfs/dbraw/zinc/39/47/61/818394761.db2.gz VAPCMSQDOKUBAU-MRXNPFEDSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001232605162 818394769 /nfs/dbraw/zinc/39/47/69/818394769.db2.gz VAPCMSQDOKUBAU-MRXNPFEDSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC001232678487 818418002 /nfs/dbraw/zinc/41/80/02/818418002.db2.gz HFPHMWFSWADXKT-UHFFFAOYSA-N 1 2 278.355 3.428 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC001232678487 818418005 /nfs/dbraw/zinc/41/80/05/818418005.db2.gz HFPHMWFSWADXKT-UHFFFAOYSA-N 1 2 278.355 3.428 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1ccc(C)cc1C#N ZINC001232967170 818485347 /nfs/dbraw/zinc/48/53/47/818485347.db2.gz FZIMKPGCWQZTIR-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(C)cc1C#N ZINC001232967170 818485350 /nfs/dbraw/zinc/48/53/50/818485350.db2.gz FZIMKPGCWQZTIR-UHFFFAOYSA-N 1 2 265.360 3.284 20 30 CGEDLO CC(C)(C)OC(=O)n1ccc(C[NH+]2CCC(C#N)CC2)c1 ZINC001233430086 818616439 /nfs/dbraw/zinc/61/64/39/818616439.db2.gz YHFJJLYWPCDBMP-UHFFFAOYSA-N 1 2 289.379 3.007 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233450494 818623220 /nfs/dbraw/zinc/62/32/20/818623220.db2.gz XIANXPFLVWNNBZ-UHFFFAOYSA-N 1 2 273.767 3.318 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(Cl)n1 ZINC001233450494 818623223 /nfs/dbraw/zinc/62/32/23/818623223.db2.gz XIANXPFLVWNNBZ-UHFFFAOYSA-N 1 2 273.767 3.318 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001234899163 818948513 /nfs/dbraw/zinc/94/85/13/818948513.db2.gz CNVCAZSUMGEUCN-OAHLLOKOSA-N 1 2 288.391 3.104 20 30 CGEDLO CCOC(OCC)c1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001234899163 818948517 /nfs/dbraw/zinc/94/85/17/818948517.db2.gz CNVCAZSUMGEUCN-OAHLLOKOSA-N 1 2 288.391 3.104 20 30 CGEDLO N#Cc1ccc(-c2ccc(-c3ccc[nH+]c3N)cc2)o1 ZINC001243477051 823415517 /nfs/dbraw/zinc/41/55/17/823415517.db2.gz YJBMXRFLTGNMNE-UHFFFAOYSA-N 1 2 261.284 3.462 20 30 CGEDLO N#CCC[N@@H+](Cc1sc(=O)[nH]c1Cl)C1CCCC1 ZINC001237150316 819679482 /nfs/dbraw/zinc/67/94/82/819679482.db2.gz OKXIHSGNTWYRCR-UHFFFAOYSA-N 1 2 285.800 3.160 20 30 CGEDLO N#CCC[N@H+](Cc1sc(=O)[nH]c1Cl)C1CCCC1 ZINC001237150316 819679484 /nfs/dbraw/zinc/67/94/84/819679484.db2.gz OKXIHSGNTWYRCR-UHFFFAOYSA-N 1 2 285.800 3.160 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+]1CCNC2=CCCC[C@@H]21 ZINC001237224597 819702220 /nfs/dbraw/zinc/70/22/20/819702220.db2.gz GYDSSIDEHVJVOY-KRWDZBQOSA-N 1 2 284.403 3.093 20 30 CGEDLO C=CCOc1ccccc1C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001237224597 819702224 /nfs/dbraw/zinc/70/22/24/819702224.db2.gz GYDSSIDEHVJVOY-KRWDZBQOSA-N 1 2 284.403 3.093 20 30 CGEDLO N#Cc1cc(C[NH+]2CC(c3ccccc3)C2)c(F)cc1F ZINC001237531249 819771902 /nfs/dbraw/zinc/77/19/02/819771902.db2.gz YBHPUMWYQMLLJC-UHFFFAOYSA-N 1 2 284.309 3.436 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2CF)ccc1Cl ZINC001238195395 819953079 /nfs/dbraw/zinc/95/30/79/819953079.db2.gz GOGDLCFNKKAQLQ-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CF)ccc1Cl ZINC001238195395 819953085 /nfs/dbraw/zinc/95/30/85/819953085.db2.gz GOGDLCFNKKAQLQ-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO Cc1cc(C[NH+]2CC(CC#N)C2)c(C)cc1Br ZINC001238274942 819969256 /nfs/dbraw/zinc/96/92/56/819969256.db2.gz IWEXVHAZCXSDSU-UHFFFAOYSA-N 1 2 293.208 3.411 20 30 CGEDLO CC(C)Oc1cc(C[NH+]2CCC(C)(C#N)CC2)c(F)cn1 ZINC001238802391 820125095 /nfs/dbraw/zinc/12/50/95/820125095.db2.gz NVVJXRQXAOLJGC-UHFFFAOYSA-N 1 2 291.370 3.134 20 30 CGEDLO N#CCc1ccnc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001243657686 823476657 /nfs/dbraw/zinc/47/66/57/823476657.db2.gz QCQFWYZGOKOXSV-UHFFFAOYSA-N 1 2 274.327 3.059 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(C#N)c(F)c1 ZINC001240160752 820865585 /nfs/dbraw/zinc/86/55/85/820865585.db2.gz IOYGSEFZZCDUDG-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO N#Cc1ccc(-c2ccncc2)nc1-c1ccc2[nH+]ccn2c1 ZINC001240216702 820887529 /nfs/dbraw/zinc/88/75/29/820887529.db2.gz MCLKDZDFNOXTAS-UHFFFAOYSA-N 1 2 297.321 3.330 20 30 CGEDLO N#Cc1c(F)c(F)c(-c2ccc3[nH+]ccn3c2)c(F)c1F ZINC001240218741 820891202 /nfs/dbraw/zinc/89/12/02/820891202.db2.gz WZQBZBBQUFBJOQ-UHFFFAOYSA-N 1 2 291.207 3.429 20 30 CGEDLO N#Cc1ccc(-c2ccncc2)nc1-c1ccn2cc[nH+]c2c1 ZINC001240504270 821100773 /nfs/dbraw/zinc/10/07/73/821100773.db2.gz LZEVIIVXBRVVDV-UHFFFAOYSA-N 1 2 297.321 3.330 20 30 CGEDLO C#Cc1cccc(-c2cc(C[NH+]3CCOCC3)ccc2F)c1 ZINC001241921336 822220109 /nfs/dbraw/zinc/22/01/09/822220109.db2.gz MXESCHLXDBVQRZ-UHFFFAOYSA-N 1 2 295.357 3.306 20 30 CGEDLO COC(=O)c1cc(C#N)cc(-c2cc(C)[nH+]c(C)c2)c1 ZINC001241992892 822262493 /nfs/dbraw/zinc/26/24/93/822262493.db2.gz WJNRKEVVJHLTGX-UHFFFAOYSA-N 1 2 266.300 3.024 20 30 CGEDLO COC(=O)c1cc(-c2cc(C)[nH+]c(C)c2)ccc1C#N ZINC001241995064 822263731 /nfs/dbraw/zinc/26/37/31/822263731.db2.gz YAGSODHXAFHCNK-UHFFFAOYSA-N 1 2 266.300 3.024 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1NC1CCC(C#N)CC1 ZINC001349612080 936954351 /nfs/dbraw/zinc/95/43/51/936954351.db2.gz LLAWSQZSTJRSIE-UHFFFAOYSA-N 1 2 259.353 3.363 20 30 CGEDLO N#CCC[N@@H+](CCCC(F)(F)F)Cc1ccco1 ZINC001355204590 937129547 /nfs/dbraw/zinc/12/95/47/937129547.db2.gz NNQVSKUBKJNDNP-UHFFFAOYSA-N 1 2 260.259 3.338 20 30 CGEDLO N#CCC[N@H+](CCCC(F)(F)F)Cc1ccco1 ZINC001355204590 937129550 /nfs/dbraw/zinc/12/95/50/937129550.db2.gz NNQVSKUBKJNDNP-UHFFFAOYSA-N 1 2 260.259 3.338 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1CCCCCC1 ZINC001483320858 927480013 /nfs/dbraw/zinc/48/00/13/927480013.db2.gz RJULZXBKRFRJJE-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1CCCCCC1 ZINC001483320858 927480019 /nfs/dbraw/zinc/48/00/19/927480019.db2.gz RJULZXBKRFRJJE-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001486182012 927995944 /nfs/dbraw/zinc/99/59/44/927995944.db2.gz WJQOSEUBOJFAJD-QMPFAZFSSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001486182012 927995951 /nfs/dbraw/zinc/99/59/51/927995951.db2.gz WJQOSEUBOJFAJD-QMPFAZFSSA-N 1 2 296.842 3.230 20 30 CGEDLO C=C1CCC(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC001435642574 937264021 /nfs/dbraw/zinc/26/40/21/937264021.db2.gz GHCDLDDDTOKECM-UHFFFAOYSA-N 1 2 273.380 3.141 20 30 CGEDLO C=CCC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1 ZINC001446505573 937363641 /nfs/dbraw/zinc/36/36/41/937363641.db2.gz NMOOFQKONAEWPY-OAHLLOKOSA-N 1 2 283.375 3.084 20 30 CGEDLO Cc1cc([C@H]2CCCC[N@@H+]2CC#Cc2ccc(F)cc2)[nH]n1 ZINC001460834944 937548030 /nfs/dbraw/zinc/54/80/30/937548030.db2.gz MBBFYKQYUBBMKO-GOSISDBHSA-N 1 2 297.377 3.436 20 30 CGEDLO Cc1cc([C@H]2CCCC[N@H+]2CC#Cc2ccc(F)cc2)[nH]n1 ZINC001460834944 937548032 /nfs/dbraw/zinc/54/80/32/937548032.db2.gz MBBFYKQYUBBMKO-GOSISDBHSA-N 1 2 297.377 3.436 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001140136274 931956697 /nfs/dbraw/zinc/95/66/97/931956697.db2.gz RWKFEYFEPZVFCS-UHFFFAOYSA-N 1 2 291.329 3.127 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(F)c1 ZINC001140136274 931956701 /nfs/dbraw/zinc/95/67/01/931956701.db2.gz RWKFEYFEPZVFCS-UHFFFAOYSA-N 1 2 291.329 3.127 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001460915630 937552679 /nfs/dbraw/zinc/55/26/79/937552679.db2.gz OHOVYMUQUHXUPA-CQSZACIVSA-N 1 2 299.349 3.172 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC001460915630 937552681 /nfs/dbraw/zinc/55/26/81/937552681.db2.gz OHOVYMUQUHXUPA-CQSZACIVSA-N 1 2 299.349 3.172 20 30 CGEDLO C=C[C@@H](C#CC(C)(C)C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230921140 932642999 /nfs/dbraw/zinc/64/29/99/932642999.db2.gz DXRPUAPZYPFCQH-HNNXBMFYSA-N 1 2 283.371 3.350 20 30 CGEDLO C#C[C@H]1CCC[C@@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080897 932674535 /nfs/dbraw/zinc/67/45/35/932674535.db2.gz ILIFCSSYAJQUMH-WFASDCNBSA-N 1 2 252.317 3.257 20 30 CGEDLO Cc1cc(-c2cc(C#N)ccc2F)cn2cc[nH+]c12 ZINC001244556141 932708967 /nfs/dbraw/zinc/70/89/67/932708967.db2.gz XASXJTAJFGNHBA-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C[Si](C)(C)C#CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001307188521 932777141 /nfs/dbraw/zinc/77/71/41/932777141.db2.gz YLISRRPCSMMPNL-UHFFFAOYSA-N 1 2 294.434 3.175 20 30 CGEDLO C#Cc1ccc(CNc2nc3ccccc3n3c[nH+]cc23)cc1 ZINC001307121877 932915436 /nfs/dbraw/zinc/91/54/36/932915436.db2.gz CMQNAVXVZTWYPS-UHFFFAOYSA-N 1 2 298.349 3.476 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001308506334 933121916 /nfs/dbraw/zinc/12/19/16/933121916.db2.gz VHGJGVZACBPNAU-GFCCVEGCSA-N 1 2 269.323 3.279 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](C)c1ccc(C)cc1 ZINC001308561361 933132525 /nfs/dbraw/zinc/13/25/25/933132525.db2.gz XQDYDZSHXMJOPU-OAHLLOKOSA-N 1 2 275.392 3.150 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](C)c1ccc(C)cc1 ZINC001308561361 933132528 /nfs/dbraw/zinc/13/25/28/933132528.db2.gz XQDYDZSHXMJOPU-OAHLLOKOSA-N 1 2 275.392 3.150 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001317754646 933644324 /nfs/dbraw/zinc/64/43/24/933644324.db2.gz PHOXDEFRCJNPBA-NFEOESJKSA-N 1 2 284.831 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001317754646 933644327 /nfs/dbraw/zinc/64/43/27/933644327.db2.gz PHOXDEFRCJNPBA-NFEOESJKSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001321148582 934156418 /nfs/dbraw/zinc/15/64/18/934156418.db2.gz LIZMBWDJWIQURF-ZBFHGGJFSA-N 1 2 275.392 3.023 20 30 CGEDLO C=CC[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OCC ZINC001321295788 934174089 /nfs/dbraw/zinc/17/40/89/934174089.db2.gz CPLNCTDWFDREPE-ZBFHGGJFSA-N 1 2 275.392 3.278 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2nnccc2C#N)cc1 ZINC001472688845 937780430 /nfs/dbraw/zinc/78/04/30/937780430.db2.gz NGCRCVZGSRZPBX-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2nnccc2C#N)cc1 ZINC001472688845 937780432 /nfs/dbraw/zinc/78/04/32/937780432.db2.gz NGCRCVZGSRZPBX-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC001328613463 935152438 /nfs/dbraw/zinc/15/24/38/935152438.db2.gz SRZAIMBXADKVQD-ZDUSSCGKSA-N 1 2 281.359 3.143 20 30 CGEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC001328613463 935152440 /nfs/dbraw/zinc/15/24/40/935152440.db2.gz SRZAIMBXADKVQD-ZDUSSCGKSA-N 1 2 281.359 3.143 20 30 CGEDLO C=C(C)CC[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001473835168 937824280 /nfs/dbraw/zinc/82/42/80/937824280.db2.gz BUXGINAHQVGXMK-INIZCTEOSA-N 1 2 289.419 3.495 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC001474250563 937846349 /nfs/dbraw/zinc/84/63/49/937846349.db2.gz CRJHTTIJXZMTOH-QMMMGPOBSA-N 1 2 276.233 3.116 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC001494309616 937954445 /nfs/dbraw/zinc/95/44/45/937954445.db2.gz CKEBSHCPZZUSDT-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC2CCCC2)C1 ZINC001494309616 937954446 /nfs/dbraw/zinc/95/44/46/937954446.db2.gz CKEBSHCPZZUSDT-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO Clc1cccc(C#CC[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC001559938184 938239583 /nfs/dbraw/zinc/23/95/83/938239583.db2.gz YSDMZBTXSWCGNX-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO Clc1cccc(C#CC[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC001559938184 938239584 /nfs/dbraw/zinc/23/95/84/938239584.db2.gz YSDMZBTXSWCGNX-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C=CCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001560178821 938246278 /nfs/dbraw/zinc/24/62/78/938246278.db2.gz DUKCLVJKGMXFDS-HNNXBMFYSA-N 1 2 275.392 3.105 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1OC ZINC001560208697 938247324 /nfs/dbraw/zinc/24/73/24/938247324.db2.gz DYRUAQMIUJHXIJ-AWEZNQCLSA-N 1 2 263.768 3.336 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001560208697 938247325 /nfs/dbraw/zinc/24/73/25/938247325.db2.gz DYRUAQMIUJHXIJ-AWEZNQCLSA-N 1 2 263.768 3.336 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726536 962066457 /nfs/dbraw/zinc/06/64/57/962066457.db2.gz UFUHVLLOMXMDEL-TUVASFSCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570726536 962066471 /nfs/dbraw/zinc/06/64/71/962066471.db2.gz UFUHVLLOMXMDEL-TUVASFSCSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(CC)CC)C(C)(C)C1 ZINC001570888690 962110694 /nfs/dbraw/zinc/11/06/94/962110694.db2.gz IXMPJGGBLWSITM-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(CC)CC)C(C)(C)C1 ZINC001570888690 962110699 /nfs/dbraw/zinc/11/06/99/962110699.db2.gz IXMPJGGBLWSITM-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO Cc1cc(CNC(=O)[C@@H](CC#N)c2ccccc2)cc(C)[nH+]1 ZINC001585398358 963011627 /nfs/dbraw/zinc/01/16/27/963011627.db2.gz GYCUUFYFWRCODK-KRWDZBQOSA-N 1 2 293.370 3.012 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cccc2cnccc21)C(=O)OCC ZINC000590661512 346860663 /nfs/dbraw/zinc/86/06/63/346860663.db2.gz GAGFBSKSPAQUKC-KRWDZBQOSA-N 1 2 298.386 3.222 20 30 CGEDLO N#CC1(CC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000591014907 346894742 /nfs/dbraw/zinc/89/47/42/346894742.db2.gz HQXUVWWRDJQGIT-GFCCVEGCSA-N 1 2 290.329 3.114 20 30 CGEDLO N#CC1(CC[N@H+]2CCO[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000591014907 346894744 /nfs/dbraw/zinc/89/47/44/346894744.db2.gz HQXUVWWRDJQGIT-GFCCVEGCSA-N 1 2 290.329 3.114 20 30 CGEDLO CCc1cc(N(Cc2ccc(C#N)cc2)C2CC2)nc(C)[nH+]1 ZINC000359717941 529529370 /nfs/dbraw/zinc/52/93/70/529529370.db2.gz QDJDLXJPCNIFLX-UHFFFAOYSA-N 1 2 292.386 3.388 20 30 CGEDLO C[C@H](c1cccs1)[N@H+](C)Cc1ccncc1C#N ZINC000592060504 346958139 /nfs/dbraw/zinc/95/81/39/346958139.db2.gz RBUYAROZGRDCNM-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@H](c1cccs1)[N@@H+](C)Cc1ccncc1C#N ZINC000592060504 346958141 /nfs/dbraw/zinc/95/81/41/346958141.db2.gz RBUYAROZGRDCNM-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000592504915 346993968 /nfs/dbraw/zinc/99/39/68/346993968.db2.gz MROFVVICVDEWRU-GFCCVEGCSA-N 1 2 298.390 3.113 20 30 CGEDLO Cc1ccc(-c2nn(C)cc2C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000592504915 346993972 /nfs/dbraw/zinc/99/39/72/346993972.db2.gz MROFVVICVDEWRU-GFCCVEGCSA-N 1 2 298.390 3.113 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593123939 347043002 /nfs/dbraw/zinc/04/30/02/347043002.db2.gz HVMDVPLOWWFZPJ-KUHUBIRLSA-N 1 2 292.382 3.038 20 30 CGEDLO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593123939 347043004 /nfs/dbraw/zinc/04/30/04/347043004.db2.gz HVMDVPLOWWFZPJ-KUHUBIRLSA-N 1 2 292.382 3.038 20 30 CGEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593123940 347043134 /nfs/dbraw/zinc/04/31/34/347043134.db2.gz HVMDVPLOWWFZPJ-LIRRHRJNSA-N 1 2 292.382 3.038 20 30 CGEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593123940 347043136 /nfs/dbraw/zinc/04/31/36/347043136.db2.gz HVMDVPLOWWFZPJ-LIRRHRJNSA-N 1 2 292.382 3.038 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000062839074 345241179 /nfs/dbraw/zinc/24/11/79/345241179.db2.gz PTZWASRWKWEOFG-JTQLQIEISA-N 1 2 251.399 3.222 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000093772855 345887089 /nfs/dbraw/zinc/88/70/89/345887089.db2.gz KVMALMGILLOOON-CQSZACIVSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000093772855 345887092 /nfs/dbraw/zinc/88/70/92/345887092.db2.gz KVMALMGILLOOON-CQSZACIVSA-N 1 2 291.391 3.023 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000093872346 345891662 /nfs/dbraw/zinc/89/16/62/345891662.db2.gz ALVHNTZZJIXTOK-ZWKOTPCHSA-N 1 2 296.370 3.044 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000093872346 345891663 /nfs/dbraw/zinc/89/16/63/345891663.db2.gz ALVHNTZZJIXTOK-ZWKOTPCHSA-N 1 2 296.370 3.044 20 30 CGEDLO CCc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000155404911 346153279 /nfs/dbraw/zinc/15/32/79/346153279.db2.gz DCPVTRARLXFCCD-UHFFFAOYSA-N 1 2 272.323 3.485 20 30 CGEDLO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000155404911 346153282 /nfs/dbraw/zinc/15/32/82/346153282.db2.gz DCPVTRARLXFCCD-UHFFFAOYSA-N 1 2 272.323 3.485 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000187377854 346260262 /nfs/dbraw/zinc/26/02/62/346260262.db2.gz FUJRWDFDZOHPJL-ZDUSSCGKSA-N 1 2 281.359 3.006 20 30 CGEDLO Cc1cc(C)c(NC(=O)CCCCCC#N)c(C)[nH+]1 ZINC000588838887 346770440 /nfs/dbraw/zinc/77/04/40/346770440.db2.gz AESGIBLEKNDXCA-UHFFFAOYSA-N 1 2 259.353 3.419 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000593698315 347105688 /nfs/dbraw/zinc/10/56/88/347105688.db2.gz QKQHCVFPOIMUHV-UHFFFAOYSA-N 1 2 276.339 3.009 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](Cc1ccc3c(c1)CCO3)C2 ZINC000593698315 347105693 /nfs/dbraw/zinc/10/56/93/347105693.db2.gz QKQHCVFPOIMUHV-UHFFFAOYSA-N 1 2 276.339 3.009 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000594010422 347136471 /nfs/dbraw/zinc/13/64/71/347136471.db2.gz DNVOLICVOXTHQK-RYUDHWBXSA-N 1 2 293.798 3.257 20 30 CGEDLO COc1cccc(SCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000595345226 347294830 /nfs/dbraw/zinc/29/48/30/347294830.db2.gz RBZVRTCQVKOPNM-LBPRGKRZSA-N 1 2 264.394 3.021 20 30 CGEDLO COc1cccc(SCC[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000595345226 347294835 /nfs/dbraw/zinc/29/48/35/347294835.db2.gz RBZVRTCQVKOPNM-LBPRGKRZSA-N 1 2 264.394 3.021 20 30 CGEDLO COCC[N@@H+](CCC#N)CCSc1cccc(Cl)c1 ZINC000595343937 347294922 /nfs/dbraw/zinc/29/49/22/347294922.db2.gz IHWAHQRVINKYNQ-UHFFFAOYSA-N 1 2 298.839 3.294 20 30 CGEDLO COCC[N@H+](CCC#N)CCSc1cccc(Cl)c1 ZINC000595343937 347294927 /nfs/dbraw/zinc/29/49/27/347294927.db2.gz IHWAHQRVINKYNQ-UHFFFAOYSA-N 1 2 298.839 3.294 20 30 CGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623232 347329297 /nfs/dbraw/zinc/32/92/97/347329297.db2.gz KIBRYURIJZOFBA-ZIAGYGMSSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623232 347329300 /nfs/dbraw/zinc/32/93/00/347329300.db2.gz KIBRYURIJZOFBA-ZIAGYGMSSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623230 347329790 /nfs/dbraw/zinc/32/97/90/347329790.db2.gz KIBRYURIJZOFBA-KGLIPLIRSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623230 347329793 /nfs/dbraw/zinc/32/97/93/347329793.db2.gz KIBRYURIJZOFBA-KGLIPLIRSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@@H](C#N)[N@H+](CCCOCCc1ccccc1)C1CC1 ZINC000595714623 347345799 /nfs/dbraw/zinc/34/57/99/347345799.db2.gz XAPXLCDHHJZZCN-HNNXBMFYSA-N 1 2 272.392 3.012 20 30 CGEDLO C[C@@H](C#N)[N@@H+](CCCOCCc1ccccc1)C1CC1 ZINC000595714623 347345801 /nfs/dbraw/zinc/34/58/01/347345801.db2.gz XAPXLCDHHJZZCN-HNNXBMFYSA-N 1 2 272.392 3.012 20 30 CGEDLO COc1cccc(CCC[N@H+]([C@@H](C)C#N)C2CC2)c1 ZINC000595721863 347347233 /nfs/dbraw/zinc/34/72/33/347347233.db2.gz WRDJRTNJKDYODX-ZDUSSCGKSA-N 1 2 258.365 3.004 20 30 CGEDLO COc1cccc(CCC[N@@H+]([C@@H](C)C#N)C2CC2)c1 ZINC000595721863 347347236 /nfs/dbraw/zinc/34/72/36/347347236.db2.gz WRDJRTNJKDYODX-ZDUSSCGKSA-N 1 2 258.365 3.004 20 30 CGEDLO CC(C)COc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838984 347364571 /nfs/dbraw/zinc/36/45/71/347364571.db2.gz FRHRVALSQJHHCU-QGZVFWFLSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838984 347364573 /nfs/dbraw/zinc/36/45/73/347364573.db2.gz FRHRVALSQJHHCU-QGZVFWFLSA-N 1 2 272.392 3.457 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1SC ZINC000595840974 347365748 /nfs/dbraw/zinc/36/57/48/347365748.db2.gz SMBNUBHWPYHSHT-HNNXBMFYSA-N 1 2 276.405 3.153 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1SC ZINC000595840974 347365752 /nfs/dbraw/zinc/36/57/52/347365752.db2.gz SMBNUBHWPYHSHT-HNNXBMFYSA-N 1 2 276.405 3.153 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000595843068 347366026 /nfs/dbraw/zinc/36/60/26/347366026.db2.gz YBPIPPUEMJUHIN-MRXNPFEDSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000595843068 347366030 /nfs/dbraw/zinc/36/60/30/347366030.db2.gz YBPIPPUEMJUHIN-MRXNPFEDSA-N 1 2 285.322 3.216 20 30 CGEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842348 347366303 /nfs/dbraw/zinc/36/63/03/347366303.db2.gz QVKLWWVVRGGENL-INIZCTEOSA-N 1 2 257.381 3.249 20 30 CGEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842348 347366307 /nfs/dbraw/zinc/36/63/07/347366307.db2.gz QVKLWWVVRGGENL-INIZCTEOSA-N 1 2 257.381 3.249 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1Cl ZINC000595842459 347366620 /nfs/dbraw/zinc/36/66/20/347366620.db2.gz RHEAKZUAGPDIHI-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1Cl ZINC000595842459 347366621 /nfs/dbraw/zinc/36/66/21/347366621.db2.gz RHEAKZUAGPDIHI-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595885869 347369735 /nfs/dbraw/zinc/36/97/35/347369735.db2.gz KGTWONIVZNFLEI-SMDDNHRTSA-N 1 2 298.308 3.272 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595885869 347369738 /nfs/dbraw/zinc/36/97/38/347369738.db2.gz KGTWONIVZNFLEI-SMDDNHRTSA-N 1 2 298.308 3.272 20 30 CGEDLO C=CCC[NH2+][C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000595883668 347369953 /nfs/dbraw/zinc/36/99/53/347369953.db2.gz IQOJACZMBBCYCC-KRWDZBQOSA-N 1 2 275.392 3.409 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595890905 347371041 /nfs/dbraw/zinc/37/10/41/347371041.db2.gz NUSFBJIRTFOWTL-SMDDNHRTSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595890905 347371042 /nfs/dbraw/zinc/37/10/42/347371042.db2.gz NUSFBJIRTFOWTL-SMDDNHRTSA-N 1 2 298.308 3.100 20 30 CGEDLO N#CC[C@H]1CCCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000596325323 347418014 /nfs/dbraw/zinc/41/80/14/347418014.db2.gz JMYAGJKKWUPQGI-CQSZACIVSA-N 1 2 293.374 3.350 20 30 CGEDLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](CC#N)C2)c(C)[nH+]1 ZINC000596912131 347519709 /nfs/dbraw/zinc/51/97/09/347519709.db2.gz BBQBSLVUTCVREJ-AWEZNQCLSA-N 1 2 286.379 3.164 20 30 CGEDLO CCCn1nccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000596995878 347525867 /nfs/dbraw/zinc/52/58/67/347525867.db2.gz NTLLILOADBIRMT-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CCCn1nccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000596995878 347525869 /nfs/dbraw/zinc/52/58/69/347525869.db2.gz NTLLILOADBIRMT-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2F)CCCC1 ZINC000597158550 347542448 /nfs/dbraw/zinc/54/24/48/347542448.db2.gz QJNNRUOAXMUNHD-UHFFFAOYSA-N 1 2 268.282 3.277 20 30 CGEDLO CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000597229315 347557816 /nfs/dbraw/zinc/55/78/16/347557816.db2.gz KZPLWGJYMWWXAZ-INIZCTEOSA-N 1 2 287.363 3.454 20 30 CGEDLO CC(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000597229315 347557819 /nfs/dbraw/zinc/55/78/19/347557819.db2.gz KZPLWGJYMWWXAZ-INIZCTEOSA-N 1 2 287.363 3.454 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000597231468 347559152 /nfs/dbraw/zinc/55/91/52/347559152.db2.gz XSFCWYZRWBLGCT-QGZVFWFLSA-N 1 2 270.376 3.211 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000597231468 347559157 /nfs/dbraw/zinc/55/91/57/347559157.db2.gz XSFCWYZRWBLGCT-QGZVFWFLSA-N 1 2 270.376 3.211 20 30 CGEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1OC(F)F ZINC000597191315 347547458 /nfs/dbraw/zinc/54/74/58/347547458.db2.gz DWKSSMSOZLGXKF-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ncccc1Cl)C2 ZINC000599678485 347765386 /nfs/dbraw/zinc/76/53/86/347765386.db2.gz RQWZSLFTVRAPDY-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ncccc1Cl)C2 ZINC000599678485 347765389 /nfs/dbraw/zinc/76/53/89/347765389.db2.gz RQWZSLFTVRAPDY-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)Cc1cccc2n[nH]cc21 ZINC000600106421 347779590 /nfs/dbraw/zinc/77/95/90/347779590.db2.gz IQWKIMRZJOJWEH-UHFFFAOYSA-N 1 2 280.331 3.072 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)Cc1cccc2n[nH]cc21 ZINC000600106421 347779593 /nfs/dbraw/zinc/77/95/93/347779593.db2.gz IQWKIMRZJOJWEH-UHFFFAOYSA-N 1 2 280.331 3.072 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1C#N ZINC000599313782 347734487 /nfs/dbraw/zinc/73/44/87/347734487.db2.gz BOHTWOXQMRMORT-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1C#N ZINC000599313782 347734489 /nfs/dbraw/zinc/73/44/89/347734489.db2.gz BOHTWOXQMRMORT-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000599478221 347747458 /nfs/dbraw/zinc/74/74/58/347747458.db2.gz LHEBPFYKZBWECI-WBMJQRKESA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1C#N ZINC000599478221 347747459 /nfs/dbraw/zinc/74/74/59/347747459.db2.gz LHEBPFYKZBWECI-WBMJQRKESA-N 1 2 294.345 3.111 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599628999 347759521 /nfs/dbraw/zinc/75/95/21/347759521.db2.gz WRMBLRQXSCVMFM-JTQLQIEISA-N 1 2 295.289 3.086 20 30 CGEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599628999 347759524 /nfs/dbraw/zinc/75/95/24/347759524.db2.gz WRMBLRQXSCVMFM-JTQLQIEISA-N 1 2 295.289 3.086 20 30 CGEDLO N#Cc1c(F)cccc1-c1ccc(NC[C@H]2CCCO2)[nH+]c1 ZINC000600792225 347837480 /nfs/dbraw/zinc/83/74/80/347837480.db2.gz XBLWXKKAWOZEGH-CYBMUJFWSA-N 1 2 297.333 3.350 20 30 CGEDLO CN(C)c1c[nH+]cc(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000601064492 347861956 /nfs/dbraw/zinc/86/19/56/347861956.db2.gz NYSKPCWOIRCJQO-UHFFFAOYSA-N 1 2 292.386 3.315 20 30 CGEDLO CC[C@H](C)[C@H](C[N@H+](CCC#N)Cc1ccco1)OC ZINC000602435004 347957386 /nfs/dbraw/zinc/95/73/86/347957386.db2.gz RWUUUBMRPNJABL-ZFWWWQNUSA-N 1 2 264.369 3.056 20 30 CGEDLO CC[C@H](C)[C@H](C[N@@H+](CCC#N)Cc1ccco1)OC ZINC000602435004 347957387 /nfs/dbraw/zinc/95/73/87/347957387.db2.gz RWUUUBMRPNJABL-ZFWWWQNUSA-N 1 2 264.369 3.056 20 30 CGEDLO COc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000602438919 347958076 /nfs/dbraw/zinc/95/80/76/347958076.db2.gz CWZACEHXLXDEEG-UHFFFAOYSA-N 1 2 299.399 3.188 20 30 CGEDLO COc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000602438919 347958078 /nfs/dbraw/zinc/95/80/78/347958078.db2.gz CWZACEHXLXDEEG-UHFFFAOYSA-N 1 2 299.399 3.188 20 30 CGEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)c(Cl)cc1O ZINC000602466663 347962672 /nfs/dbraw/zinc/96/26/72/347962672.db2.gz YQVJWTZRARDWIM-UHFFFAOYSA-N 1 2 294.782 3.180 20 30 CGEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)c(Cl)cc1O ZINC000602466663 347962677 /nfs/dbraw/zinc/96/26/77/347962677.db2.gz YQVJWTZRARDWIM-UHFFFAOYSA-N 1 2 294.782 3.180 20 30 CGEDLO Cn1cc[nH+]c1[C@H](Nc1cccc(CC#N)c1)C1CC1 ZINC000602681815 348008426 /nfs/dbraw/zinc/00/84/26/348008426.db2.gz MSNGCBYWUSUOPP-OAHLLOKOSA-N 1 2 266.348 3.049 20 30 CGEDLO C[C@H](CCC#N)C[NH2+][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000602709572 348015210 /nfs/dbraw/zinc/01/52/10/348015210.db2.gz LMTGNASPLBSKTH-UTUOFQBUSA-N 1 2 278.318 3.016 20 30 CGEDLO Cc1cc(Cn2cc(CC3(C#N)CCCCC3)nn2)cc[nH+]1 ZINC000603231568 348065616 /nfs/dbraw/zinc/06/56/16/348065616.db2.gz CNLMUYAZERIHMO-UHFFFAOYSA-N 1 2 295.390 3.046 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000602861217 348037037 /nfs/dbraw/zinc/03/70/37/348037037.db2.gz GCYOZSPZWVHDNV-SNVBAGLBSA-N 1 2 275.352 3.341 20 30 CGEDLO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c(Cl)c1 ZINC000602860635 348037524 /nfs/dbraw/zinc/03/75/24/348037524.db2.gz DYFXECRGNXBDTB-NEPJUHHUSA-N 1 2 293.798 3.176 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc2ccccc21 ZINC000602863587 348038514 /nfs/dbraw/zinc/03/85/14/348038514.db2.gz ORJQNWQHIFAEKC-QWHCGFSZSA-N 1 2 281.359 3.059 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CCC[C@@H]1C#N ZINC000602974385 348048597 /nfs/dbraw/zinc/04/85/97/348048597.db2.gz NMIIDZPDNAHBFD-ZWNOBZJWSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[C@@H]1C#N ZINC000602974385 348048598 /nfs/dbraw/zinc/04/85/98/348048598.db2.gz NMIIDZPDNAHBFD-ZWNOBZJWSA-N 1 2 250.292 3.089 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976756 348048686 /nfs/dbraw/zinc/04/86/86/348048686.db2.gz SIHGBXRVCOHVNU-DZGCQCFKSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976756 348048687 /nfs/dbraw/zinc/04/86/87/348048687.db2.gz SIHGBXRVCOHVNU-DZGCQCFKSA-N 1 2 258.365 3.128 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCC[C@H]1C#N ZINC000602980307 348050158 /nfs/dbraw/zinc/05/01/58/348050158.db2.gz OKTRWJZFQKLANQ-HOCLYGCPSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCC[C@H]1C#N ZINC000602980307 348050160 /nfs/dbraw/zinc/05/01/60/348050160.db2.gz OKTRWJZFQKLANQ-HOCLYGCPSA-N 1 2 272.779 3.316 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)c(F)c1 ZINC000609599713 348348731 /nfs/dbraw/zinc/34/87/31/348348731.db2.gz WEFPFBQZSMSCHK-UHFFFAOYSA-N 1 2 287.363 3.321 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)c3sccc3C#N)ccc2n1C ZINC000610310332 348374255 /nfs/dbraw/zinc/37/42/55/348374255.db2.gz QSLKZXCIYOSEEU-UHFFFAOYSA-N 1 2 296.355 3.067 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610786969 348403256 /nfs/dbraw/zinc/40/32/56/348403256.db2.gz VVTDAWCVVNNUMS-LLVKDONJSA-N 1 2 297.314 3.023 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000611262859 348433170 /nfs/dbraw/zinc/43/31/70/348433170.db2.gz XAPVSGHSOLAAAX-UHFFFAOYSA-N 1 2 270.357 3.014 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000611262859 348433174 /nfs/dbraw/zinc/43/31/74/348433174.db2.gz XAPVSGHSOLAAAX-UHFFFAOYSA-N 1 2 270.357 3.014 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000612167557 348499024 /nfs/dbraw/zinc/49/90/24/348499024.db2.gz PBBJADJWMQSMDW-HNNXBMFYSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000612167557 348499026 /nfs/dbraw/zinc/49/90/26/348499026.db2.gz PBBJADJWMQSMDW-HNNXBMFYSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000612406016 348516671 /nfs/dbraw/zinc/51/66/71/348516671.db2.gz GJHKRNRPKBGLRI-CQSZACIVSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000612406016 348516672 /nfs/dbraw/zinc/51/66/72/348516672.db2.gz GJHKRNRPKBGLRI-CQSZACIVSA-N 1 2 261.394 3.146 20 30 CGEDLO N#Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1Cl ZINC000612472176 348521989 /nfs/dbraw/zinc/52/19/89/348521989.db2.gz JOLUWCOBCSZRLG-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO COc1cccc(C[NH2+]CC(C)(C)C#N)c1OC(C)C ZINC000612585150 348530629 /nfs/dbraw/zinc/53/06/29/348530629.db2.gz PQFUFOCWRBAVFH-UHFFFAOYSA-N 1 2 276.380 3.122 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000615136817 348716751 /nfs/dbraw/zinc/71/67/51/348716751.db2.gz AHNZWNSXQXRDKJ-HNNXBMFYSA-N 1 2 286.404 3.264 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000615136817 348716755 /nfs/dbraw/zinc/71/67/55/348716755.db2.gz AHNZWNSXQXRDKJ-HNNXBMFYSA-N 1 2 286.404 3.264 20 30 CGEDLO C=CCC1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCC1 ZINC000617485475 348963274 /nfs/dbraw/zinc/96/32/74/348963274.db2.gz KGOZUMSMUIOAPI-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C[N@H+](Cc1ccnc(C#N)c1)Cc1cc(Cl)ccc1F ZINC000618309246 349068170 /nfs/dbraw/zinc/06/81/70/349068170.db2.gz HHRRSALYZIAPTB-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(Cl)ccc1F ZINC000618309246 349068174 /nfs/dbraw/zinc/06/81/74/349068174.db2.gz HHRRSALYZIAPTB-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@H]2CCc3cc(C#N)ccc32)[nH+]1 ZINC000618693542 349145160 /nfs/dbraw/zinc/14/51/60/349145160.db2.gz IWMSURQZPCFHFT-HNNXBMFYSA-N 1 2 289.342 3.237 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000618819955 349158243 /nfs/dbraw/zinc/15/82/43/349158243.db2.gz VMTBXBWDKBHPCX-INIZCTEOSA-N 1 2 276.355 3.350 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000618819955 349158244 /nfs/dbraw/zinc/15/82/44/349158244.db2.gz VMTBXBWDKBHPCX-INIZCTEOSA-N 1 2 276.355 3.350 20 30 CGEDLO Cc1[nH]c2ccc(COc3cccc(F)c3C#N)cc2[nH+]1 ZINC000358863726 233205737 /nfs/dbraw/zinc/20/57/37/233205737.db2.gz RKJPUACHJCLLBP-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO Cc1[nH]c2cc(COc3cccc(F)c3C#N)ccc2[nH+]1 ZINC000358863726 233205740 /nfs/dbraw/zinc/20/57/40/233205740.db2.gz RKJPUACHJCLLBP-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO C=C[C@@H]([NH2+][C@H](CCC)CCc1ccccc1)C(=O)OC ZINC000619702078 349276426 /nfs/dbraw/zinc/27/64/26/349276426.db2.gz FMTYJVJMXSTZNI-HZPDHXFCSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C[C@H]([NH2+]CC1(c2cccs2)CCCCC1)C(=O)OC ZINC000619702699 349277010 /nfs/dbraw/zinc/27/70/10/349277010.db2.gz QBWYMVOFIIFMKV-ZDUSSCGKSA-N 1 2 293.432 3.267 20 30 CGEDLO C=CCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCCCC1 ZINC000620612290 349393059 /nfs/dbraw/zinc/39/30/59/349393059.db2.gz UHELVMNTPLAFRY-CYBMUJFWSA-N 1 2 275.396 3.124 20 30 CGEDLO C=CC(C)(C)CCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000624432006 350040540 /nfs/dbraw/zinc/04/05/40/350040540.db2.gz MYGXIMPGHZQNML-UHFFFAOYSA-N 1 2 292.452 3.044 20 30 CGEDLO C=CC(C)(C)CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000624432006 350040542 /nfs/dbraw/zinc/04/05/42/350040542.db2.gz MYGXIMPGHZQNML-UHFFFAOYSA-N 1 2 292.452 3.044 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000626616863 350323692 /nfs/dbraw/zinc/32/36/92/350323692.db2.gz AAJDLZFYBMGISD-ZDUSSCGKSA-N 1 2 284.363 3.073 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C)o1)Cc1ccc(OC)cc1 ZINC000628150431 350412468 /nfs/dbraw/zinc/41/24/68/350412468.db2.gz QZVCVEAAOPAILH-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C)o1)Cc1ccc(OC)cc1 ZINC000628150431 350412472 /nfs/dbraw/zinc/41/24/72/350412472.db2.gz QZVCVEAAOPAILH-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CCCCN(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631392322 351034328 /nfs/dbraw/zinc/03/43/28/351034328.db2.gz BFESQSJMZPFJET-UHFFFAOYSA-N 1 2 269.348 3.115 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1F ZINC000361868895 283142780 /nfs/dbraw/zinc/14/27/80/283142780.db2.gz PKXOPPZAFJRMJX-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1F ZINC000361868895 283142790 /nfs/dbraw/zinc/14/27/90/283142790.db2.gz PKXOPPZAFJRMJX-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000124941666 138378585 /nfs/dbraw/zinc/37/85/85/138378585.db2.gz NHAGHBALOJSLSM-KRWDZBQOSA-N 1 2 298.411 3.367 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000124941666 138378586 /nfs/dbraw/zinc/37/85/86/138378586.db2.gz NHAGHBALOJSLSM-KRWDZBQOSA-N 1 2 298.411 3.367 20 30 CGEDLO Cc1cc(N2CC[C@H](COc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425242830 236223232 /nfs/dbraw/zinc/22/32/32/236223232.db2.gz DGKZIFXIXCTLNR-HNNXBMFYSA-N 1 2 293.370 3.167 20 30 CGEDLO CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000425243761 236223594 /nfs/dbraw/zinc/22/35/94/236223594.db2.gz GCBDSMUSQQXVRA-YVEFUNNKSA-N 1 2 299.349 3.011 20 30 CGEDLO N#Cc1cccc(OCc2c[nH+]cn2Cc2ccccc2)c1 ZINC000437614265 237314970 /nfs/dbraw/zinc/31/49/70/237314970.db2.gz OFMNBAGHXOXRTJ-UHFFFAOYSA-N 1 2 289.338 3.382 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341801859 216110021 /nfs/dbraw/zinc/11/00/21/216110021.db2.gz XYXROJWCWLGFOP-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341801859 216110023 /nfs/dbraw/zinc/11/00/23/216110023.db2.gz XYXROJWCWLGFOP-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO N#Cc1ccccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000181358921 189294750 /nfs/dbraw/zinc/29/47/50/189294750.db2.gz PVBOLBCXKMPDEJ-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000181358921 189294751 /nfs/dbraw/zinc/29/47/51/189294751.db2.gz PVBOLBCXKMPDEJ-UHFFFAOYSA-N 1 2 263.344 3.118 20 30 CGEDLO COc1cccc([C@H]2C[N@H+](CCC(C)(C)C#N)CCO2)c1 ZINC000119995604 370730432 /nfs/dbraw/zinc/73/04/32/370730432.db2.gz RYFSBLNNFHARNU-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1cccc([C@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)c1 ZINC000119995604 370730437 /nfs/dbraw/zinc/73/04/37/370730437.db2.gz RYFSBLNNFHARNU-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000121205021 370839221 /nfs/dbraw/zinc/83/92/21/370839221.db2.gz AKVPHIDOKNCINL-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000121205021 370839234 /nfs/dbraw/zinc/83/92/34/370839234.db2.gz AKVPHIDOKNCINL-UHFFFAOYSA-N 1 2 274.389 3.437 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1nc2c(s1)CCC2 ZINC000459638375 242158680 /nfs/dbraw/zinc/15/86/80/242158680.db2.gz ZTFVYGWPIIBUDY-LLVKDONJSA-N 1 2 283.400 3.354 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000574350864 335012702 /nfs/dbraw/zinc/01/27/02/335012702.db2.gz LTRTVLZEOKZQQZ-UHFFFAOYSA-N 1 2 270.307 3.479 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(Br)c1 ZINC000042375339 369218972 /nfs/dbraw/zinc/21/89/72/369218972.db2.gz NMMKTUCVQQKQJB-SNVBAGLBSA-N 1 2 267.170 3.183 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(Br)c1 ZINC000042375339 369218974 /nfs/dbraw/zinc/21/89/74/369218974.db2.gz NMMKTUCVQQKQJB-SNVBAGLBSA-N 1 2 267.170 3.183 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1Br ZINC000063088294 369638832 /nfs/dbraw/zinc/63/88/32/369638832.db2.gz POXNKLUYSSZFDJ-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1Br ZINC000063088294 369638836 /nfs/dbraw/zinc/63/88/36/369638836.db2.gz POXNKLUYSSZFDJ-SNVBAGLBSA-N 1 2 297.196 3.192 20 30 CGEDLO C=CC[N@@H+](Cc1noc(CC)n1)CC1CCCCC1 ZINC000069860044 369774003 /nfs/dbraw/zinc/77/40/03/369774003.db2.gz GQPXUWBZFXMTGM-UHFFFAOYSA-N 1 2 263.385 3.200 20 30 CGEDLO C=CC[N@H+](Cc1noc(CC)n1)CC1CCCCC1 ZINC000069860044 369774009 /nfs/dbraw/zinc/77/40/09/369774009.db2.gz GQPXUWBZFXMTGM-UHFFFAOYSA-N 1 2 263.385 3.200 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H](C)C#N ZINC000091983673 370085396 /nfs/dbraw/zinc/08/53/96/370085396.db2.gz CHEXPGYAILNROH-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)ccc1F)C[C@@H](C)C#N ZINC000091983673 370085399 /nfs/dbraw/zinc/08/53/99/370085399.db2.gz CHEXPGYAILNROH-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@@H+](Cc1cccc(OC)c1OC(F)F)C[C@H](C)C#N ZINC000091983414 370085566 /nfs/dbraw/zinc/08/55/66/370085566.db2.gz XRRKPTXORRTJEX-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1cccc(OC)c1OC(F)F)C[C@H](C)C#N ZINC000091983414 370085569 /nfs/dbraw/zinc/08/55/69/370085569.db2.gz XRRKPTXORRTJEX-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO C[S@@](=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101270 370109430 /nfs/dbraw/zinc/10/94/30/370109430.db2.gz XJHOAWGKDOTCCF-FQEVSTJZSA-N 1 2 292.448 3.186 20 30 CGEDLO C[S@@](=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101270 370109433 /nfs/dbraw/zinc/10/94/33/370109433.db2.gz XJHOAWGKDOTCCF-FQEVSTJZSA-N 1 2 292.448 3.186 20 30 CGEDLO C=CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000111309862 370396430 /nfs/dbraw/zinc/39/64/30/370396430.db2.gz UZWRZYHTMYOWIM-BXUZGUMPSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000111309862 370396434 /nfs/dbraw/zinc/39/64/34/370396434.db2.gz UZWRZYHTMYOWIM-BXUZGUMPSA-N 1 2 251.757 3.288 20 30 CGEDLO CCCCCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000112646778 370440207 /nfs/dbraw/zinc/44/02/07/370440207.db2.gz OCOORTQUMXUTLC-UHFFFAOYSA-N 1 2 251.374 3.167 20 30 CGEDLO C=CCN(CC=C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000114723893 370510597 /nfs/dbraw/zinc/51/05/97/370510597.db2.gz VALWXUWRHIPHEC-UHFFFAOYSA-N 1 2 267.376 3.105 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nccn1Cc1ccccc1 ZINC000114723893 370510601 /nfs/dbraw/zinc/51/06/01/370510601.db2.gz VALWXUWRHIPHEC-UHFFFAOYSA-N 1 2 267.376 3.105 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000118989782 370633501 /nfs/dbraw/zinc/63/35/01/370633501.db2.gz YVOVFKDXQPBYOZ-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000118989782 370633507 /nfs/dbraw/zinc/63/35/07/370633507.db2.gz YVOVFKDXQPBYOZ-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO COc1ccc(OC)c(C[N@H+](CCC#N)C(C)(C)C)c1 ZINC000132247590 371160346 /nfs/dbraw/zinc/16/03/46/371160346.db2.gz FYKGXSSSSUVGSV-UHFFFAOYSA-N 1 2 276.380 3.218 20 30 CGEDLO COc1ccc(OC)c(C[N@@H+](CCC#N)C(C)(C)C)c1 ZINC000132247590 371160351 /nfs/dbraw/zinc/16/03/51/371160351.db2.gz FYKGXSSSSUVGSV-UHFFFAOYSA-N 1 2 276.380 3.218 20 30 CGEDLO CC[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1[nH]cc[nH+]1 ZINC000139834266 371507638 /nfs/dbraw/zinc/50/76/38/371507638.db2.gz HAULGQJFDSWDTP-VIFPVBQESA-N 1 2 295.268 3.258 20 30 CGEDLO C=CCOc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1 ZINC000150906880 371547398 /nfs/dbraw/zinc/54/73/98/371547398.db2.gz RCZZNYMWOOMYHT-UHFFFAOYSA-N 1 2 283.375 3.325 20 30 CGEDLO C=CC[N@@H+](Cc1cn(C(C)C)nn1)Cc1ccccc1 ZINC000289025719 371748676 /nfs/dbraw/zinc/74/86/76/371748676.db2.gz GODSQBDSLZISHS-UHFFFAOYSA-N 1 2 270.380 3.047 20 30 CGEDLO C=CC[N@H+](Cc1cn(C(C)C)nn1)Cc1ccccc1 ZINC000289025719 371748680 /nfs/dbraw/zinc/74/86/80/371748680.db2.gz GODSQBDSLZISHS-UHFFFAOYSA-N 1 2 270.380 3.047 20 30 CGEDLO Cc1cccc2nc(C[NH2+]Cc3cccc(C#N)c3)[nH]c21 ZINC000153609243 371776781 /nfs/dbraw/zinc/77/67/81/371776781.db2.gz FBAVQJXKCRFNFO-UHFFFAOYSA-N 1 2 276.343 3.033 20 30 CGEDLO C=C(C)CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000154402200 371842890 /nfs/dbraw/zinc/84/28/90/371842890.db2.gz BHWMDIAZYPCXIJ-UHFFFAOYSA-N 1 2 282.343 3.488 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000158071273 372050121 /nfs/dbraw/zinc/05/01/21/372050121.db2.gz VILRZWUJZGBGHO-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000158071273 372050126 /nfs/dbraw/zinc/05/01/26/372050126.db2.gz VILRZWUJZGBGHO-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=CCN(CC=C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000158132327 372053076 /nfs/dbraw/zinc/05/30/76/372053076.db2.gz ZSBJSVINJCRBMK-UHFFFAOYSA-N 1 2 267.376 3.355 20 30 CGEDLO C=CCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425285731 372119453 /nfs/dbraw/zinc/11/94/53/372119453.db2.gz SPWBQOCOAIYWSH-HNNXBMFYSA-N 1 2 283.375 3.014 20 30 CGEDLO CCC[N@H+](Cc1nnc(C(C)C)o1)Cc1ccc(C#N)cc1 ZINC000171144502 372720375 /nfs/dbraw/zinc/72/03/75/372720375.db2.gz LBMBQOGYDPGGRF-UHFFFAOYSA-N 1 2 298.390 3.477 20 30 CGEDLO CCC[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccc(C#N)cc1 ZINC000171144502 372720382 /nfs/dbraw/zinc/72/03/82/372720382.db2.gz LBMBQOGYDPGGRF-UHFFFAOYSA-N 1 2 298.390 3.477 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000437580929 372851470 /nfs/dbraw/zinc/85/14/70/372851470.db2.gz RFYBBOISEIWHMQ-LJQANCHMSA-N 1 2 295.357 3.251 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000437580929 372851478 /nfs/dbraw/zinc/85/14/78/372851478.db2.gz RFYBBOISEIWHMQ-LJQANCHMSA-N 1 2 295.357 3.251 20 30 CGEDLO CCn1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cn1 ZINC000295884373 372947036 /nfs/dbraw/zinc/94/70/36/372947036.db2.gz CIILIGJQZWRHKY-NSHDSACASA-N 1 2 288.782 3.279 20 30 CGEDLO CC[C@@]1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000442887554 373118549 /nfs/dbraw/zinc/11/85/49/373118549.db2.gz XJWARSXHGKKSSG-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000442887554 373118555 /nfs/dbraw/zinc/11/85/55/373118555.db2.gz XJWARSXHGKKSSG-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2nccn21 ZINC000296672077 373215702 /nfs/dbraw/zinc/21/57/02/373215702.db2.gz FYHUSLQWWZOXLS-DOMZBBRYSA-N 1 2 278.359 3.039 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC(C)(C)O1 ZINC000446762162 373360474 /nfs/dbraw/zinc/36/04/74/373360474.db2.gz QZSMWQHVYLXOCC-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC(C)(C)O1 ZINC000446762162 373360483 /nfs/dbraw/zinc/36/04/83/373360483.db2.gz QZSMWQHVYLXOCC-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000447817304 373498147 /nfs/dbraw/zinc/49/81/47/373498147.db2.gz PRBHWEOXXYIFJU-ZDUSSCGKSA-N 1 2 260.385 3.091 20 30 CGEDLO C=CCCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000447817304 373498156 /nfs/dbraw/zinc/49/81/56/373498156.db2.gz PRBHWEOXXYIFJU-ZDUSSCGKSA-N 1 2 260.385 3.091 20 30 CGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)sc1C ZINC000176123363 373557272 /nfs/dbraw/zinc/55/72/72/373557272.db2.gz AARZFWUHNFWLMH-UHFFFAOYSA-N 1 2 293.367 3.045 20 30 CGEDLO Cc1ccc2[nH+]c(CN(CCC#N)CCC(C)C)cn2c1 ZINC000177031220 373651973 /nfs/dbraw/zinc/65/19/73/373651973.db2.gz DMPIVDGWDHOGSQ-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO N#CCC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000336517246 294805185 /nfs/dbraw/zinc/80/51/85/294805185.db2.gz PBHWXSJBUSTIII-UHFFFAOYSA-N 1 2 250.292 3.058 20 30 CGEDLO C=C(C)COc1cc(C[NH2+]C(CF)CF)ccc1OC ZINC000449378194 373685102 /nfs/dbraw/zinc/68/51/02/373685102.db2.gz CVOBTJZALIAJMP-UHFFFAOYSA-N 1 2 285.334 3.047 20 30 CGEDLO Cc1cccn2cc(CNc3cccc(C#N)c3C)[nH+]c12 ZINC000179051528 373831351 /nfs/dbraw/zinc/83/13/51/373831351.db2.gz BYERWOMRJABRGE-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO Cc1c(C#N)cccc1NCc1[nH+]ccn1C(C)C ZINC000179055066 373833391 /nfs/dbraw/zinc/83/33/91/373833391.db2.gz TWTJTWLJHCULCU-UHFFFAOYSA-N 1 2 254.337 3.256 20 30 CGEDLO C=C[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301605071 373789573 /nfs/dbraw/zinc/78/95/73/373789573.db2.gz MDFSGSANVILVRG-SNVBAGLBSA-N 1 2 284.319 3.347 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccccc1C#N)c1c(C)noc1C ZINC000179326296 373857757 /nfs/dbraw/zinc/85/77/57/373857757.db2.gz QEWDAGBHPFPZHZ-HNNXBMFYSA-N 1 2 269.348 3.404 20 30 CGEDLO N#Cc1cccc(C#N)c1NCCCCNc1cccc[nH+]1 ZINC000302467665 373873485 /nfs/dbraw/zinc/87/34/85/373873485.db2.gz STGWDFRMUBQAKI-UHFFFAOYSA-N 1 2 291.358 3.129 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000180824162 374049006 /nfs/dbraw/zinc/04/90/06/374049006.db2.gz OKHLYDVDHWNHKR-AWEZNQCLSA-N 1 2 292.427 3.083 20 30 CGEDLO Cc1csc([C@H](C)C/[NH+]=C/c2ccccc2O)n1 ZINC000182164862 374226723 /nfs/dbraw/zinc/22/67/23/374226723.db2.gz IEHZMQAFLRICSB-XBLUXWHVSA-N 1 2 260.362 3.380 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1Br ZINC000309502740 374185985 /nfs/dbraw/zinc/18/59/85/374185985.db2.gz BFRNXMACSLLINL-SNVBAGLBSA-N 1 2 279.181 3.403 20 30 CGEDLO CC[N@@H+](Cc1cn(C)nc1C1CCCCC1)C[C@@H](C)C#N ZINC000183006337 374354105 /nfs/dbraw/zinc/35/41/05/374354105.db2.gz XABUWHCCKVGHGD-AWEZNQCLSA-N 1 2 288.439 3.449 20 30 CGEDLO CC[N@H+](Cc1cn(C)nc1C1CCCCC1)C[C@@H](C)C#N ZINC000183006337 374354111 /nfs/dbraw/zinc/35/41/11/374354111.db2.gz XABUWHCCKVGHGD-AWEZNQCLSA-N 1 2 288.439 3.449 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(F)F ZINC000453254879 374372732 /nfs/dbraw/zinc/37/27/32/374372732.db2.gz YMFWSTKJMNZETP-UFBFGSQYSA-N 1 2 256.271 3.392 20 30 CGEDLO Cc1cn2cc(NC(=O)[C@H](C)C3CCOCC3)ccc2[nH+]1 ZINC000328788999 374382375 /nfs/dbraw/zinc/38/23/75/374382375.db2.gz PPJBXQPPVSGCNU-GFCCVEGCSA-N 1 2 287.363 3.293 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(C#N)c(F)c1 ZINC000453273954 374384748 /nfs/dbraw/zinc/38/47/48/374384748.db2.gz AJJBTIVMFLYMQK-IUCAKERBSA-N 1 2 256.271 3.392 20 30 CGEDLO CC[C@@H]1CC[C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)O1 ZINC000329748881 374426924 /nfs/dbraw/zinc/42/69/24/374426924.db2.gz FTXUSNFLQGJUBB-OLZOCXBDSA-N 1 2 273.336 3.188 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000183835712 374464319 /nfs/dbraw/zinc/46/43/19/374464319.db2.gz JFMFRGCTJKRIPD-LLVKDONJSA-N 1 2 257.362 3.059 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000183817491 374460210 /nfs/dbraw/zinc/46/02/10/374460210.db2.gz AKFGJXQKDPYOFI-QMMMGPOBSA-N 1 2 287.588 3.352 20 30 CGEDLO CCC[C@@H](NC(=O)NCc1[nH+]ccn1C)C1CCCCC1 ZINC000330556852 374479253 /nfs/dbraw/zinc/47/92/53/374479253.db2.gz FWBVEDGUPLWJOS-CQSZACIVSA-N 1 2 292.427 3.173 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341897 374671986 /nfs/dbraw/zinc/67/19/86/374671986.db2.gz PBLJINIZVHGYBQ-PWSUYJOCSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341897 374671989 /nfs/dbraw/zinc/67/19/89/374671989.db2.gz PBLJINIZVHGYBQ-PWSUYJOCSA-N 1 2 262.303 3.015 20 30 CGEDLO COCC1(C)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459618681 374811666 /nfs/dbraw/zinc/81/16/66/374811666.db2.gz CYNPUGKNGDTRLF-UHFFFAOYSA-N 1 2 298.308 3.045 20 30 CGEDLO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187163705 374982637 /nfs/dbraw/zinc/98/26/37/374982637.db2.gz LBKWPAXSRLAOPN-INIZCTEOSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187163705 374982640 /nfs/dbraw/zinc/98/26/40/374982640.db2.gz LBKWPAXSRLAOPN-INIZCTEOSA-N 1 2 292.810 3.459 20 30 CGEDLO Cc1ccc(C[S@](=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000187214740 374988881 /nfs/dbraw/zinc/98/88/81/374988881.db2.gz FCXQTAHHMOHVRM-HXUWFJFHSA-N 1 2 284.384 3.019 20 30 CGEDLO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)ccc1C#N ZINC000335822282 375459661 /nfs/dbraw/zinc/45/96/61/375459661.db2.gz TZUHPYMEQXCSGU-MRXNPFEDSA-N 1 2 280.375 3.317 20 30 CGEDLO Cc1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)ccc1C#N ZINC000335822282 375459665 /nfs/dbraw/zinc/45/96/65/375459665.db2.gz TZUHPYMEQXCSGU-MRXNPFEDSA-N 1 2 280.375 3.317 20 30 CGEDLO C=CCCCCCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000493394403 375469817 /nfs/dbraw/zinc/46/98/17/375469817.db2.gz CPVBLUAQCMLPPO-KHPPLWFESA-N 1 2 275.396 3.121 20 30 CGEDLO C=CC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000498284061 375623961 /nfs/dbraw/zinc/62/39/61/375623961.db2.gz BLDCEUJQBKTIJK-ZDUSSCGKSA-N 1 2 294.826 3.243 20 30 CGEDLO C=CC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000498284061 375623968 /nfs/dbraw/zinc/62/39/68/375623968.db2.gz BLDCEUJQBKTIJK-ZDUSSCGKSA-N 1 2 294.826 3.243 20 30 CGEDLO C=CCCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000515126474 375810398 /nfs/dbraw/zinc/81/03/98/375810398.db2.gz YZPMDXUKRCTZLP-AWEZNQCLSA-N 1 2 293.432 3.378 20 30 CGEDLO C=CCCCC[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000515126474 375810403 /nfs/dbraw/zinc/81/04/03/375810403.db2.gz YZPMDXUKRCTZLP-AWEZNQCLSA-N 1 2 293.432 3.378 20 30 CGEDLO C=CCCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000520728531 375872359 /nfs/dbraw/zinc/87/23/59/375872359.db2.gz YDNMFUUNTWOXAW-HOTGVXAUSA-N 1 2 262.397 3.270 20 30 CGEDLO C=CCCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000520728531 375872366 /nfs/dbraw/zinc/87/23/66/375872366.db2.gz YDNMFUUNTWOXAW-HOTGVXAUSA-N 1 2 262.397 3.270 20 30 CGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000527357602 375892739 /nfs/dbraw/zinc/89/27/39/375892739.db2.gz XVCYYODSXSUHMS-QGZVFWFLSA-N 1 2 299.374 3.244 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000529545391 375928089 /nfs/dbraw/zinc/92/80/89/375928089.db2.gz VZLVJHJFMWOTEL-MRVPVSSYSA-N 1 2 258.699 3.400 20 30 CGEDLO Cc1cc[nH+]cc1NCc1c(F)cc(C#N)cc1F ZINC000194420107 376003266 /nfs/dbraw/zinc/00/32/66/376003266.db2.gz DAXNMIHGIUUYTL-UHFFFAOYSA-N 1 2 259.259 3.152 20 30 CGEDLO C=C(CC)C[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000538016207 376219395 /nfs/dbraw/zinc/21/93/95/376219395.db2.gz YOUMJJNNJRMHDO-UHFFFAOYSA-N 1 2 253.386 3.197 20 30 CGEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000337533103 376227180 /nfs/dbraw/zinc/22/71/80/376227180.db2.gz FHRZOFAMCQQGOT-OAHLLOKOSA-N 1 2 295.386 3.203 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)n1 ZINC000230638017 376522812 /nfs/dbraw/zinc/52/28/12/376522812.db2.gz UYTWJGAIGFFFAX-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000542650703 376565756 /nfs/dbraw/zinc/56/57/56/376565756.db2.gz SKXPBVZDYYITQY-GOSISDBHSA-N 1 2 284.403 3.339 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000542650703 376565764 /nfs/dbraw/zinc/56/57/64/376565764.db2.gz SKXPBVZDYYITQY-GOSISDBHSA-N 1 2 284.403 3.339 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCCNc1cnccc1C#N ZINC000339041011 376643003 /nfs/dbraw/zinc/64/30/03/376643003.db2.gz QLOZJVJVQBBZSJ-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000247389942 377201461 /nfs/dbraw/zinc/20/14/61/377201461.db2.gz VRYVFYOKYHJSPU-FMKPAKJESA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)[C@@H]1c1ccccc1 ZINC000247389942 377201472 /nfs/dbraw/zinc/20/14/72/377201472.db2.gz VRYVFYOKYHJSPU-FMKPAKJESA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC1(C#N)CCC1 ZINC000562533446 377326056 /nfs/dbraw/zinc/32/60/56/377326056.db2.gz YVPOQZPEMOGLAU-LBPRGKRZSA-N 1 2 258.340 3.439 20 30 CGEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC1(C#N)CCC1 ZINC000562533446 377326060 /nfs/dbraw/zinc/32/60/60/377326060.db2.gz YVPOQZPEMOGLAU-LBPRGKRZSA-N 1 2 258.340 3.439 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1F ZINC000340875899 377299231 /nfs/dbraw/zinc/29/92/31/377299231.db2.gz GNJYZBKVYBFPLJ-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1F ZINC000340875899 377299234 /nfs/dbraw/zinc/29/92/34/377299234.db2.gz GNJYZBKVYBFPLJ-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000562866243 377366594 /nfs/dbraw/zinc/36/65/94/377366594.db2.gz MLVUCFVBLNALNT-SWLSCSKDSA-N 1 2 287.338 3.073 20 30 CGEDLO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000563066488 377398205 /nfs/dbraw/zinc/39/82/05/377398205.db2.gz QNXRQZRCMBKBDZ-OAHLLOKOSA-N 1 2 278.783 3.211 20 30 CGEDLO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000563066488 377398210 /nfs/dbraw/zinc/39/82/10/377398210.db2.gz QNXRQZRCMBKBDZ-OAHLLOKOSA-N 1 2 278.783 3.211 20 30 CGEDLO CCc1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000341215721 377449438 /nfs/dbraw/zinc/44/94/38/377449438.db2.gz QNVZYDDMQNXSBK-UHFFFAOYSA-N 1 2 283.400 3.356 20 30 CGEDLO N#CC1(CC[N@@H+]2Cc3cccnc3C2)CCCCC1 ZINC000565535385 377487457 /nfs/dbraw/zinc/48/74/57/377487457.db2.gz ZERZSALZVCKARN-UHFFFAOYSA-N 1 2 255.365 3.261 20 30 CGEDLO N#CC1(CC[N@H+]2Cc3cccnc3C2)CCCCC1 ZINC000565535385 377487461 /nfs/dbraw/zinc/48/74/61/377487461.db2.gz ZERZSALZVCKARN-UHFFFAOYSA-N 1 2 255.365 3.261 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000568849430 377523634 /nfs/dbraw/zinc/52/36/34/377523634.db2.gz DLXAQVPANYHMBY-UHFFFAOYSA-N 1 2 282.290 3.132 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000568849430 377523640 /nfs/dbraw/zinc/52/36/40/377523640.db2.gz DLXAQVPANYHMBY-UHFFFAOYSA-N 1 2 282.290 3.132 20 30 CGEDLO CC(C)c1cc(NCC2(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000572069084 377546050 /nfs/dbraw/zinc/54/60/50/377546050.db2.gz WOJMKZIZGDYQFW-UHFFFAOYSA-N 1 2 272.396 3.251 20 30 CGEDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1C ZINC000251893625 377602092 /nfs/dbraw/zinc/60/20/92/377602092.db2.gz QLDBFNMWSONUIJ-IAQYHMDHSA-N 1 2 278.783 3.068 20 30 CGEDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1C ZINC000251893625 377602098 /nfs/dbraw/zinc/60/20/98/377602098.db2.gz QLDBFNMWSONUIJ-IAQYHMDHSA-N 1 2 278.783 3.068 20 30 CGEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)c(Cl)c1 ZINC000258980266 377802394 /nfs/dbraw/zinc/80/23/94/377802394.db2.gz WHGVTPWMYIGHIB-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(Cl)c1 ZINC000258980266 377802399 /nfs/dbraw/zinc/80/23/99/377802399.db2.gz WHGVTPWMYIGHIB-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO Cc1c[nH+]c(CN(Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000342794668 377798534 /nfs/dbraw/zinc/79/85/34/377798534.db2.gz VDLNBABINHFSCS-UHFFFAOYSA-N 1 2 296.418 3.258 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccc(F)cc2)no1 ZINC000578520272 378076868 /nfs/dbraw/zinc/07/68/68/378076868.db2.gz UPQYJUFDRIRMRJ-CYBMUJFWSA-N 1 2 273.311 3.263 20 30 CGEDLO CO[C@@H](C)c1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000582179328 378291821 /nfs/dbraw/zinc/29/18/21/378291821.db2.gz XEXGEEGBFFXNLJ-LBPRGKRZSA-N 1 2 293.436 3.366 20 30 CGEDLO CN1CC[N@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000345769561 378364870 /nfs/dbraw/zinc/36/48/70/378364870.db2.gz KBISLJUUPQIHQD-UHFFFAOYSA-N 1 2 295.361 3.149 20 30 CGEDLO CN1CC[N@@H+](Cc2cc(F)ccc2C#N)Cc2ccccc21 ZINC000345769561 378364873 /nfs/dbraw/zinc/36/48/73/378364873.db2.gz KBISLJUUPQIHQD-UHFFFAOYSA-N 1 2 295.361 3.149 20 30 CGEDLO C[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000270584475 378371266 /nfs/dbraw/zinc/37/12/66/378371266.db2.gz JEHPLTKLQCKGJR-UHFFFAOYSA-N 1 2 267.332 3.056 20 30 CGEDLO C[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000270584475 378371272 /nfs/dbraw/zinc/37/12/72/378371272.db2.gz JEHPLTKLQCKGJR-UHFFFAOYSA-N 1 2 267.332 3.056 20 30 CGEDLO CC(C)(C)[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000270629113 378377923 /nfs/dbraw/zinc/37/79/23/378377923.db2.gz UQQLXQNZYGXKPP-AUUGRSLUSA-N 1 2 261.365 3.405 20 30 CGEDLO N#CC[N@H+](Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000271221995 378483676 /nfs/dbraw/zinc/48/36/76/378483676.db2.gz ZXLLGNWBUIJKHN-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO N#CC[N@@H+](Cc1cccc2cc[nH]c21)C1CCCC1 ZINC000271221995 378483680 /nfs/dbraw/zinc/48/36/80/378483680.db2.gz ZXLLGNWBUIJKHN-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO C=CCCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000274536940 378847258 /nfs/dbraw/zinc/84/72/58/378847258.db2.gz FOTVFOSRJWWANY-UHFFFAOYSA-N 1 2 298.390 3.028 20 30 CGEDLO C=CCCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000274576816 378853459 /nfs/dbraw/zinc/85/34/59/378853459.db2.gz FSOUZYYLIZTMFA-CYBMUJFWSA-N 1 2 276.384 3.003 20 30 CGEDLO C=C(C)C[N@H+](Cc1nnc(C)n1C1CC1)Cc1ccccc1 ZINC000348237791 378854381 /nfs/dbraw/zinc/85/43/81/378854381.db2.gz XTNSLTXSTSNTQK-UHFFFAOYSA-N 1 2 296.418 3.500 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nnc(C)n1C1CC1)Cc1ccccc1 ZINC000348237791 378854383 /nfs/dbraw/zinc/85/43/83/378854383.db2.gz XTNSLTXSTSNTQK-UHFFFAOYSA-N 1 2 296.418 3.500 20 30 CGEDLO C=CCCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000373284677 379254453 /nfs/dbraw/zinc/25/44/53/379254453.db2.gz AILMANFNILEGDN-OAHLLOKOSA-N 1 2 270.380 3.230 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(F)c1 ZINC000377499141 379686468 /nfs/dbraw/zinc/68/64/68/379686468.db2.gz BXKMATLXKMHIEE-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)c(F)c1 ZINC000377499141 379686471 /nfs/dbraw/zinc/68/64/71/379686471.db2.gz BXKMATLXKMHIEE-CQSZACIVSA-N 1 2 287.363 3.491 20 30 CGEDLO N#Cc1nc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC000267269051 190316772 /nfs/dbraw/zinc/31/67/72/190316772.db2.gz ZESYAXGQVGMFKT-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO COc1cccc(Cl)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000352450238 379820850 /nfs/dbraw/zinc/82/08/50/379820850.db2.gz QFOKTUBJIUFDLB-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000390212623 379905016 /nfs/dbraw/zinc/90/50/16/379905016.db2.gz VZUALDIROIZORB-ZETCQYMHSA-N 1 2 261.127 3.382 20 30 CGEDLO N#Cc1csc(CNc2ccc(N3CCCCC3)c[nH+]2)n1 ZINC000352826046 379986493 /nfs/dbraw/zinc/98/64/93/379986493.db2.gz VLZVHGHUQZLXGW-UHFFFAOYSA-N 1 2 299.403 3.012 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000411317371 380141788 /nfs/dbraw/zinc/14/17/88/380141788.db2.gz AGIWWYZWHVIIEO-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000411317371 380141796 /nfs/dbraw/zinc/14/17/96/380141796.db2.gz AGIWWYZWHVIIEO-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)[C@H](C)CCC#N)n1 ZINC000411317908 380142189 /nfs/dbraw/zinc/14/21/89/380142189.db2.gz CSILFXXGUPTRKL-GHMZBOCLSA-N 1 2 282.413 3.008 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@H](C)CCC#N)n1 ZINC000411317908 380142198 /nfs/dbraw/zinc/14/21/98/380142198.db2.gz CSILFXXGUPTRKL-GHMZBOCLSA-N 1 2 282.413 3.008 20 30 CGEDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C#N)s2)s1 ZINC000268162415 190382360 /nfs/dbraw/zinc/38/23/60/190382360.db2.gz DUITZNWORBQPMG-UHFFFAOYSA-N 1 2 292.433 3.059 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000411168202 380132009 /nfs/dbraw/zinc/13/20/09/380132009.db2.gz ZQYIXFJHMIOPEE-NSHDSACASA-N 1 2 296.773 3.480 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C ZINC000411185908 380133484 /nfs/dbraw/zinc/13/34/84/380133484.db2.gz NJSSCYFMOLUUFI-CYBMUJFWSA-N 1 2 292.398 3.117 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C ZINC000411185908 380133497 /nfs/dbraw/zinc/13/34/97/380133497.db2.gz NJSSCYFMOLUUFI-CYBMUJFWSA-N 1 2 292.398 3.117 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1c(F)cncc1F ZINC000353205132 380167502 /nfs/dbraw/zinc/16/75/02/380167502.db2.gz OLKSJMIZTSRKEI-VIFPVBQESA-N 1 2 291.276 3.221 20 30 CGEDLO C=C(C)[C@H]([NH2+][C@@H](C)c1nnc(C)[nH]1)c1ccc(F)c(F)c1 ZINC000411551634 380151224 /nfs/dbraw/zinc/15/12/24/380151224.db2.gz FEMZJFQWTQNKIJ-XPTSAGLGSA-N 1 2 292.333 3.359 20 30 CGEDLO N#CCCC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000353914699 380231464 /nfs/dbraw/zinc/23/14/64/380231464.db2.gz LDRDCJVOOQLJON-AWEZNQCLSA-N 1 2 272.377 3.063 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354019480 380282659 /nfs/dbraw/zinc/28/26/59/380282659.db2.gz YVFVTGJCBXRZLS-UHFFFAOYSA-N 1 2 296.418 3.471 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000354019480 380282662 /nfs/dbraw/zinc/28/26/62/380282662.db2.gz YVFVTGJCBXRZLS-UHFFFAOYSA-N 1 2 296.418 3.471 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354034635 380290491 /nfs/dbraw/zinc/29/04/91/380290491.db2.gz TUKLITRHCXTPQJ-CQSZACIVSA-N 1 2 270.376 3.375 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354034635 380290497 /nfs/dbraw/zinc/29/04/97/380290497.db2.gz TUKLITRHCXTPQJ-CQSZACIVSA-N 1 2 270.376 3.375 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000354729496 380540419 /nfs/dbraw/zinc/54/04/19/380540419.db2.gz MQDVBXWQWNSQCE-CQSZACIVSA-N 1 2 276.405 3.011 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000354729496 380540431 /nfs/dbraw/zinc/54/04/31/380540431.db2.gz MQDVBXWQWNSQCE-CQSZACIVSA-N 1 2 276.405 3.011 20 30 CGEDLO Cc1ccc(CCCN2CCCC(C)(C)[C@H]2C#N)c[nH+]1 ZINC000355113880 380579598 /nfs/dbraw/zinc/57/95/98/380579598.db2.gz FYQSGACUTGNRRW-MRXNPFEDSA-N 1 2 271.408 3.337 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C)n1 ZINC000417776758 380676922 /nfs/dbraw/zinc/67/69/22/380676922.db2.gz BJLUQRNDAMSOHU-QZTJIDSGSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C)n1 ZINC000417776758 380676925 /nfs/dbraw/zinc/67/69/25/380676925.db2.gz BJLUQRNDAMSOHU-QZTJIDSGSA-N 1 2 294.402 3.000 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1Cl ZINC000421399646 380947828 /nfs/dbraw/zinc/94/78/28/380947828.db2.gz QHPGMDCBZJNVJO-INIZCTEOSA-N 1 2 293.794 3.270 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1Cl ZINC000421399646 380947834 /nfs/dbraw/zinc/94/78/34/380947834.db2.gz QHPGMDCBZJNVJO-INIZCTEOSA-N 1 2 293.794 3.270 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@](C)(O)C(F)(F)F ZINC000358649133 381321363 /nfs/dbraw/zinc/32/13/63/381321363.db2.gz JSWPWEIHSXXEHP-CYBMUJFWSA-N 1 2 291.288 3.127 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@](C)(O)C(F)(F)F ZINC000358649133 381321373 /nfs/dbraw/zinc/32/13/73/381321373.db2.gz JSWPWEIHSXXEHP-CYBMUJFWSA-N 1 2 291.288 3.127 20 30 CGEDLO Cc1ccc(CN2CCc3ccc(C#N)cc32)c(C)[nH+]1 ZINC000360130772 381453908 /nfs/dbraw/zinc/45/39/08/381453908.db2.gz JMXACRVLKJUKGU-UHFFFAOYSA-N 1 2 263.344 3.133 20 30 CGEDLO N#Cc1c(F)cccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360356657 381524602 /nfs/dbraw/zinc/52/46/02/381524602.db2.gz WTUKXVHCQACKRF-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361594822 381824552 /nfs/dbraw/zinc/82/45/52/381824552.db2.gz QSEVBCYTLKWFLZ-HNNXBMFYSA-N 1 2 286.419 3.124 20 30 CGEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361594822 381824555 /nfs/dbraw/zinc/82/45/55/381824555.db2.gz QSEVBCYTLKWFLZ-HNNXBMFYSA-N 1 2 286.419 3.124 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccccc2)n1 ZINC000361634751 381847702 /nfs/dbraw/zinc/84/77/02/381847702.db2.gz CDIRGSNYMRRSDB-UHFFFAOYSA-N 1 2 288.416 3.445 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccccc2)n1 ZINC000361634751 381847707 /nfs/dbraw/zinc/84/77/07/381847707.db2.gz CDIRGSNYMRRSDB-UHFFFAOYSA-N 1 2 288.416 3.445 20 30 CGEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000362283144 381928868 /nfs/dbraw/zinc/92/88/68/381928868.db2.gz IFTDLNCLLOZLHI-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362283144 381928875 /nfs/dbraw/zinc/92/88/75/381928875.db2.gz IFTDLNCLLOZLHI-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3F)CCO2)c1 ZINC000367128816 382333900 /nfs/dbraw/zinc/33/39/00/382333900.db2.gz HSHZOFMNHLPVQI-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3F)CCO2)c1 ZINC000367128816 382333912 /nfs/dbraw/zinc/33/39/12/382333912.db2.gz HSHZOFMNHLPVQI-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO C=Cn1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000365792293 382294885 /nfs/dbraw/zinc/29/48/85/382294885.db2.gz BOJBKIQZONBNEE-MSOLQXFVSA-N 1 2 292.386 3.255 20 30 CGEDLO C=Cn1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000365792293 382294889 /nfs/dbraw/zinc/29/48/89/382294889.db2.gz BOJBKIQZONBNEE-MSOLQXFVSA-N 1 2 292.386 3.255 20 30 CGEDLO C[C@@H]([NH2+]CCC(C)(C)C#N)c1noc(Cc2ccccc2)n1 ZINC000347153666 533372460 /nfs/dbraw/zinc/37/24/60/533372460.db2.gz AXDCHEKCXIGNKG-CYBMUJFWSA-N 1 2 298.390 3.251 20 30 CGEDLO COc1cccc(C=C2CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000347477001 533441444 /nfs/dbraw/zinc/44/14/44/533441444.db2.gz KEBURAXMEAMQEI-UHFFFAOYSA-N 1 2 282.387 3.478 20 30 CGEDLO CC[N@H+](Cc1cc(C)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477536 392121633 /nfs/dbraw/zinc/12/16/33/392121633.db2.gz AIKXSSBBIWSUGS-CYBMUJFWSA-N 1 2 269.348 3.438 20 30 CGEDLO CC[N@@H+](Cc1cc(C)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477536 392121639 /nfs/dbraw/zinc/12/16/39/392121639.db2.gz AIKXSSBBIWSUGS-CYBMUJFWSA-N 1 2 269.348 3.438 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C#N)o1)Cc1cccc(C#N)c1 ZINC000092504363 392232118 /nfs/dbraw/zinc/23/21/18/392232118.db2.gz KVVLGMRCKRBALN-UHFFFAOYSA-N 1 2 277.327 3.211 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(C#N)c1 ZINC000092504363 392232120 /nfs/dbraw/zinc/23/21/20/392232120.db2.gz KVVLGMRCKRBALN-UHFFFAOYSA-N 1 2 277.327 3.211 20 30 CGEDLO C#CC[N@@H+](Cc1ccn(C(C)C)n1)Cc1ccccc1 ZINC000285794828 392330776 /nfs/dbraw/zinc/33/07/76/392330776.db2.gz UDOKOZPGFFZLRC-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO C#CC[N@H+](Cc1ccn(C(C)C)n1)Cc1ccccc1 ZINC000285794828 392330784 /nfs/dbraw/zinc/33/07/84/392330784.db2.gz UDOKOZPGFFZLRC-UHFFFAOYSA-N 1 2 267.376 3.099 20 30 CGEDLO C=CCCCCCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000286945542 392390834 /nfs/dbraw/zinc/39/08/34/392390834.db2.gz HOFCZVBNXSNMPU-UHFFFAOYSA-N 1 2 298.390 3.134 20 30 CGEDLO CCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000123682028 392429722 /nfs/dbraw/zinc/42/97/22/392429722.db2.gz SBYWKRDMBMZONB-ZDUSSCGKSA-N 1 2 276.380 3.218 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OCC ZINC000123682028 392429728 /nfs/dbraw/zinc/42/97/28/392429728.db2.gz SBYWKRDMBMZONB-ZDUSSCGKSA-N 1 2 276.380 3.218 20 30 CGEDLO Cc1nc(CC[N@H+](CCC#N)Cc2ccco2)cs1 ZINC000124927918 392436600 /nfs/dbraw/zinc/43/66/00/392436600.db2.gz QGLOGYDBDZMWJI-UHFFFAOYSA-N 1 2 275.377 3.003 20 30 CGEDLO Cc1nc(CC[N@@H+](CCC#N)Cc2ccco2)cs1 ZINC000124927918 392436608 /nfs/dbraw/zinc/43/66/08/392436608.db2.gz QGLOGYDBDZMWJI-UHFFFAOYSA-N 1 2 275.377 3.003 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cc(F)cc(F)c3)n2c1 ZINC000158409807 392565450 /nfs/dbraw/zinc/56/54/50/392565450.db2.gz GJHTTZMIXHZWCF-UHFFFAOYSA-N 1 2 284.269 3.096 20 30 CGEDLO CCC[N@H+](CC#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303917181 392627669 /nfs/dbraw/zinc/62/76/69/392627669.db2.gz NYSANTGMQIBNFI-HUUCEWRRSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[N@@H+](CC#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303917181 392627674 /nfs/dbraw/zinc/62/76/74/392627674.db2.gz NYSANTGMQIBNFI-HUUCEWRRSA-N 1 2 264.413 3.350 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000334804514 392751935 /nfs/dbraw/zinc/75/19/35/392751935.db2.gz CCGIVFLYYNMKNQ-ROUUACIJSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000334804514 392751943 /nfs/dbraw/zinc/75/19/43/392751943.db2.gz CCGIVFLYYNMKNQ-ROUUACIJSA-N 1 2 296.345 3.005 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCC1 ZINC000335160318 392778193 /nfs/dbraw/zinc/77/81/93/392778193.db2.gz LTTXLAYNTXQMJT-NSHDSACASA-N 1 2 280.293 3.375 20 30 CGEDLO Cc1cc(N2CCC[C@H](C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335512085 392796625 /nfs/dbraw/zinc/79/66/25/392796625.db2.gz PWVNPCIUZYMLAN-NSHDSACASA-N 1 2 269.270 3.040 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338353019 392911224 /nfs/dbraw/zinc/91/12/24/392911224.db2.gz WQJZBZAMPZAQJN-GFCCVEGCSA-N 1 2 280.375 3.062 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338353019 392911229 /nfs/dbraw/zinc/91/12/29/392911229.db2.gz WQJZBZAMPZAQJN-GFCCVEGCSA-N 1 2 280.375 3.062 20 30 CGEDLO Cc1ccc2[nH+]c(CSc3cc(C#N)ccn3)cn2c1 ZINC000192452751 392850809 /nfs/dbraw/zinc/85/08/09/392850809.db2.gz XWUBDMRNPSYXBY-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO COCc1ccc(NCc2c[nH+]cn2C(C)C)cc1C#N ZINC000527761358 392959612 /nfs/dbraw/zinc/95/96/12/392959612.db2.gz FVEMXQJKORIFAD-UHFFFAOYSA-N 1 2 284.363 3.094 20 30 CGEDLO C=C(C)CN(Cc1[nH+]cc(C)n1C)Cc1ccccc1 ZINC000342852483 393010366 /nfs/dbraw/zinc/01/03/66/393010366.db2.gz CYAGDTUWZCHNFY-UHFFFAOYSA-N 1 2 269.392 3.307 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ncc(C)n1C)Cc1ccccc1 ZINC000342852483 393010373 /nfs/dbraw/zinc/01/03/73/393010373.db2.gz CYAGDTUWZCHNFY-UHFFFAOYSA-N 1 2 269.392 3.307 20 30 CGEDLO C=C(C)C[N@H+](Cc1ncc(C)n1C)Cc1ccccc1 ZINC000342852483 393010381 /nfs/dbraw/zinc/01/03/81/393010381.db2.gz CYAGDTUWZCHNFY-UHFFFAOYSA-N 1 2 269.392 3.307 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270179395 393237057 /nfs/dbraw/zinc/23/70/57/393237057.db2.gz AFGYIYWRFDCYLI-UHFFFAOYSA-N 1 2 283.268 3.372 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270179395 393237062 /nfs/dbraw/zinc/23/70/62/393237062.db2.gz AFGYIYWRFDCYLI-UHFFFAOYSA-N 1 2 283.268 3.372 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CC1 ZINC000274164846 393280863 /nfs/dbraw/zinc/28/08/63/393280863.db2.gz MSYGYQKHHCSNHW-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CC1 ZINC000274164846 393280867 /nfs/dbraw/zinc/28/08/67/393280867.db2.gz MSYGYQKHHCSNHW-UHFFFAOYSA-N 1 2 297.185 3.030 20 30 CGEDLO N#Cc1cccc(Cl)c1NCCNc1cccc[nH+]1 ZINC000361149497 393686300 /nfs/dbraw/zinc/68/63/00/393686300.db2.gz KUKBYVXTCVMTBH-UHFFFAOYSA-N 1 2 272.739 3.131 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCCCC3)c(F)c1 ZINC000449624767 393925283 /nfs/dbraw/zinc/92/52/83/393925283.db2.gz QFRHXLCQCGPJQH-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCCCC3)c(F)c1 ZINC000449624767 393925284 /nfs/dbraw/zinc/92/52/84/393925284.db2.gz QFRHXLCQCGPJQH-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)CC1(C#N)CC1 ZINC000258849238 397669869 /nfs/dbraw/zinc/66/98/69/397669869.db2.gz FXCUCONARKWSHG-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)CC1(C#N)CC1 ZINC000258849238 397669870 /nfs/dbraw/zinc/66/98/70/397669870.db2.gz FXCUCONARKWSHG-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO COCC#CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000677477254 543450790 /nfs/dbraw/zinc/45/07/90/543450790.db2.gz WIECGEPQIXUTAB-CQSZACIVSA-N 1 2 286.400 3.083 20 30 CGEDLO COCC#CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000677477254 543450791 /nfs/dbraw/zinc/45/07/91/543450791.db2.gz WIECGEPQIXUTAB-CQSZACIVSA-N 1 2 286.400 3.083 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C#N)cc1F ZINC000334308403 287068196 /nfs/dbraw/zinc/06/81/96/287068196.db2.gz DXDQTORAUQIYMI-BMIGLBTASA-N 1 2 284.338 3.149 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1F ZINC000334308403 287068197 /nfs/dbraw/zinc/06/81/97/287068197.db2.gz DXDQTORAUQIYMI-BMIGLBTASA-N 1 2 284.338 3.149 20 30 CGEDLO Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)cc[nH+]1 ZINC000078892416 165140245 /nfs/dbraw/zinc/14/02/45/165140245.db2.gz IVPZHGJGIKIYQD-UHFFFAOYSA-N 1 2 297.383 3.134 20 30 CGEDLO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1F ZINC000679217931 543600772 /nfs/dbraw/zinc/60/07/72/543600772.db2.gz BNGCIVIANINNPS-IUODEOHRSA-N 1 2 265.759 3.371 20 30 CGEDLO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1F ZINC000679217931 543600775 /nfs/dbraw/zinc/60/07/75/543600775.db2.gz BNGCIVIANINNPS-IUODEOHRSA-N 1 2 265.759 3.371 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000347043132 226027104 /nfs/dbraw/zinc/02/71/04/226027104.db2.gz CZOUXSYAOIPZGO-MSOLQXFVSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000347043132 226027105 /nfs/dbraw/zinc/02/71/05/226027105.db2.gz CZOUXSYAOIPZGO-MSOLQXFVSA-N 1 2 295.361 3.492 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nc(CC)no1)Cc1ccccc1 ZINC000684209107 543972414 /nfs/dbraw/zinc/97/24/14/543972414.db2.gz YNRGDPUYICCVSR-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=C(C)C[N@H+](Cc1nc(CC)no1)Cc1ccccc1 ZINC000684209107 543972415 /nfs/dbraw/zinc/97/24/15/543972415.db2.gz YNRGDPUYICCVSR-UHFFFAOYSA-N 1 2 271.364 3.210 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c2ccncc21 ZINC000664571885 418980118 /nfs/dbraw/zinc/98/01/18/418980118.db2.gz KRHLYFRMBDVQMO-BETUJISGSA-N 1 2 251.333 3.317 20 30 CGEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661374380 419253722 /nfs/dbraw/zinc/25/37/22/419253722.db2.gz WLEDSULKGBWERS-CYBMUJFWSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661374380 419253724 /nfs/dbraw/zinc/25/37/24/419253724.db2.gz WLEDSULKGBWERS-CYBMUJFWSA-N 1 2 286.202 3.289 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661465522 419263108 /nfs/dbraw/zinc/26/31/08/419263108.db2.gz HEPIRGRBTKXPJA-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661465522 419263110 /nfs/dbraw/zinc/26/31/10/419263110.db2.gz HEPIRGRBTKXPJA-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)C(C)(C)C ZINC000661755804 419295068 /nfs/dbraw/zinc/29/50/68/419295068.db2.gz ZFIQXQZBFKAOJS-UHFFFAOYSA-N 1 2 299.422 3.066 20 30 CGEDLO C=CC[N@H+](Cc1nnnn1-c1c(C)cccc1C)C(C)(C)C ZINC000661755804 419295070 /nfs/dbraw/zinc/29/50/70/419295070.db2.gz ZFIQXQZBFKAOJS-UHFFFAOYSA-N 1 2 299.422 3.066 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)C1CCCCC1 ZINC000330040158 228025247 /nfs/dbraw/zinc/02/52/47/228025247.db2.gz FQKJZJMKBXBVPN-UHFFFAOYSA-N 1 2 292.383 3.102 20 30 CGEDLO CCn1nc(C[N@H+](CCC#N)CC2CC2)c2ccccc21 ZINC000352001798 228173829 /nfs/dbraw/zinc/17/38/29/228173829.db2.gz HTMURHKEANTKDW-UHFFFAOYSA-N 1 2 282.391 3.182 20 30 CGEDLO CCn1nc(C[N@@H+](CCC#N)CC2CC2)c2ccccc21 ZINC000352001798 228173830 /nfs/dbraw/zinc/17/38/30/228173830.db2.gz HTMURHKEANTKDW-UHFFFAOYSA-N 1 2 282.391 3.182 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352092776 228181735 /nfs/dbraw/zinc/18/17/35/228181735.db2.gz XOYKRJPMHPFADC-GFCCVEGCSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352092776 228181736 /nfs/dbraw/zinc/18/17/36/228181736.db2.gz XOYKRJPMHPFADC-GFCCVEGCSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000352097152 228182461 /nfs/dbraw/zinc/18/24/61/228182461.db2.gz NWZKPXUDZFZJJO-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000352097152 228182462 /nfs/dbraw/zinc/18/24/62/228182462.db2.gz NWZKPXUDZFZJJO-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C=CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663586714 419654142 /nfs/dbraw/zinc/65/41/42/419654142.db2.gz ROGQDSYUDYBMNS-UHFFFAOYSA-N 1 2 253.349 3.219 20 30 CGEDLO CCO[C@@H](CC/[NH+]=C/c1cc(OC)ccc1O)C(C)C ZINC000074797266 260288109 /nfs/dbraw/zinc/28/81/09/260288109.db2.gz NKCVVSLDKMZINF-KTZOAPACSA-N 1 2 279.380 3.271 20 30 CGEDLO CN1CCOc2ccc([NH2+][C@@H]3CCC[C@H](C#N)C3)cc21 ZINC000193264064 262219117 /nfs/dbraw/zinc/21/91/17/262219117.db2.gz XXERXXAHNHMLLV-QWHCGFSZSA-N 1 2 271.364 3.009 20 30 CGEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000185867980 262310213 /nfs/dbraw/zinc/31/02/13/262310213.db2.gz LILCAPMFPCTXPT-UONOGXRCSA-N 1 2 270.380 3.176 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000276818413 263038111 /nfs/dbraw/zinc/03/81/11/263038111.db2.gz YVCUVTQSTJIRRG-CYBMUJFWSA-N 1 2 258.365 3.067 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000276818413 263038112 /nfs/dbraw/zinc/03/81/12/263038112.db2.gz YVCUVTQSTJIRRG-CYBMUJFWSA-N 1 2 258.365 3.067 20 30 CGEDLO CCCCCCCCCNC(=O)CCc1c[nH+]cn1C ZINC000280920718 263065003 /nfs/dbraw/zinc/06/50/03/263065003.db2.gz PQTQDRVGMNOYTE-UHFFFAOYSA-N 1 2 279.428 3.220 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(Br)c1 ZINC000292206532 263129480 /nfs/dbraw/zinc/12/94/80/263129480.db2.gz OCPIHWKAYGRXED-UHFFFAOYSA-N 1 2 279.181 3.351 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(Br)c1 ZINC000292206532 263129481 /nfs/dbraw/zinc/12/94/81/263129481.db2.gz OCPIHWKAYGRXED-UHFFFAOYSA-N 1 2 279.181 3.351 20 30 CGEDLO N#CCCCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000292498353 263132879 /nfs/dbraw/zinc/13/28/79/263132879.db2.gz FNGPQKIRUYMGMB-UHFFFAOYSA-N 1 2 296.374 3.395 20 30 CGEDLO CC[C@](C)(C#N)C(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293022478 263137133 /nfs/dbraw/zinc/13/71/33/263137133.db2.gz KQBBZROYRSSFRX-MRXNPFEDSA-N 1 2 274.364 3.497 20 30 CGEDLO CCCCCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000298307121 263217223 /nfs/dbraw/zinc/21/72/23/263217223.db2.gz QJLCKXMBUWRKFA-UHFFFAOYSA-N 1 2 277.412 3.124 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000341309559 263333226 /nfs/dbraw/zinc/33/32/26/263333226.db2.gz YAJMWGWPMKDGHY-LBPRGKRZSA-N 1 2 296.361 3.040 20 30 CGEDLO C=C1CC[NH+](Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000341979792 263369847 /nfs/dbraw/zinc/36/98/47/263369847.db2.gz GKRQVDFOHPTQPC-UHFFFAOYSA-N 1 2 273.355 3.347 20 30 CGEDLO C=C1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000341993884 263372843 /nfs/dbraw/zinc/37/28/43/263372843.db2.gz MUPCMNDOJIBPQJ-UHFFFAOYSA-N 1 2 272.392 3.275 20 30 CGEDLO O=C(Nc1scnc1C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328910467 263899573 /nfs/dbraw/zinc/89/95/73/263899573.db2.gz FPEYZNFYKHDBIC-SNVBAGLBSA-N 1 2 288.376 3.068 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125975272 264122800 /nfs/dbraw/zinc/12/28/00/264122800.db2.gz PVLBEFGDFUZBKA-GDBMZVCRSA-N 1 2 287.407 3.061 20 30 CGEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccon2)c(C)[nH+]1 ZINC000331341272 264195270 /nfs/dbraw/zinc/19/52/70/264195270.db2.gz SNWHGGSXBSRPPP-JTQLQIEISA-N 1 2 274.324 3.082 20 30 CGEDLO C=CCCOCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000161536311 264288094 /nfs/dbraw/zinc/28/80/94/264288094.db2.gz NGCTYWWFJMVLRH-UHFFFAOYSA-N 1 2 298.390 3.106 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000129769991 264333051 /nfs/dbraw/zinc/33/30/51/264333051.db2.gz QNUGRQUNBWWJPN-SECBINFHSA-N 1 2 256.802 3.425 20 30 CGEDLO C=CCCO[C@@H](C)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132000418 264377499 /nfs/dbraw/zinc/37/74/99/264377499.db2.gz ZFEOMWCJOUTNIU-LBPRGKRZSA-N 1 2 292.379 3.179 20 30 CGEDLO CC[C@H]1C[C@H](C[N@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913588 266211266 /nfs/dbraw/zinc/21/12/66/266211266.db2.gz KULXUSWSLGBOPX-CABCVRRESA-N 1 2 276.380 3.200 20 30 CGEDLO CC[C@H]1C[C@H](C[N@@H+](CCC#N)Cc2ccco2)CCO1 ZINC000356913588 266211268 /nfs/dbraw/zinc/21/12/68/266211268.db2.gz KULXUSWSLGBOPX-CABCVRRESA-N 1 2 276.380 3.200 20 30 CGEDLO C=CCN(c1cc(C)[nH+]c(-c2ccncc2)n1)C1CC1 ZINC000357201176 266265062 /nfs/dbraw/zinc/26/50/62/266265062.db2.gz HGWWRMNWTZIWKZ-UHFFFAOYSA-N 1 2 266.348 3.002 20 30 CGEDLO N#Cc1cccnc1OC1CCC(Nc2cccc[nH+]2)CC1 ZINC000526084161 270122614 /nfs/dbraw/zinc/12/26/14/270122614.db2.gz ZHKZMPZCTOYCIH-UHFFFAOYSA-N 1 2 294.358 3.150 20 30 CGEDLO N#CCCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361497024 266835152 /nfs/dbraw/zinc/83/51/52/266835152.db2.gz AYSNGQJMSPHPCT-UHFFFAOYSA-N 1 2 253.349 3.151 20 30 CGEDLO N#CCCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361497024 266835154 /nfs/dbraw/zinc/83/51/54/266835154.db2.gz AYSNGQJMSPHPCT-UHFFFAOYSA-N 1 2 253.349 3.151 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000363285770 267084637 /nfs/dbraw/zinc/08/46/37/267084637.db2.gz SGIZZIGEKIUDLO-CVEARBPZSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000363285770 267084639 /nfs/dbraw/zinc/08/46/39/267084639.db2.gz SGIZZIGEKIUDLO-CVEARBPZSA-N 1 2 281.359 3.255 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)no1 ZINC000370002917 267283171 /nfs/dbraw/zinc/28/31/71/267283171.db2.gz UVBUERNERHZHBB-CYBMUJFWSA-N 1 2 290.411 3.489 20 30 CGEDLO CCc1nc([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)no1 ZINC000370002917 267283176 /nfs/dbraw/zinc/28/31/76/267283176.db2.gz UVBUERNERHZHBB-CYBMUJFWSA-N 1 2 290.411 3.489 20 30 CGEDLO Clc1ccc(C#CCN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000370054478 267287001 /nfs/dbraw/zinc/28/70/01/267287001.db2.gz WHGVYJNVLQGGCR-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000370054478 267287003 /nfs/dbraw/zinc/28/70/03/267287003.db2.gz WHGVYJNVLQGGCR-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000370054478 267287004 /nfs/dbraw/zinc/28/70/04/267287004.db2.gz WHGVYJNVLQGGCR-OAHLLOKOSA-N 1 2 285.778 3.252 20 30 CGEDLO N#Cc1cccc(Cl)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000266410964 279533145 /nfs/dbraw/zinc/53/31/45/279533145.db2.gz QMOVGNVUUWLZSW-UHFFFAOYSA-N 1 2 286.766 3.250 20 30 CGEDLO Cc1cc(N[C@@H]2CCc3cc(Cl)ccc32)c(C#N)c[nH+]1 ZINC000425206196 280300407 /nfs/dbraw/zinc/30/04/07/280300407.db2.gz CPOKGFAYQRKFMU-OAHLLOKOSA-N 1 2 283.762 3.436 20 30 CGEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000571516685 328130995 /nfs/dbraw/zinc/13/09/95/328130995.db2.gz ZFJUMZDIGPAPIX-SWLSCSKDSA-N 1 2 291.782 3.061 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272645516 328200310 /nfs/dbraw/zinc/20/03/10/328200310.db2.gz YIXOOGIVFOFMFL-CQSZACIVSA-N 1 2 299.418 3.202 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000293157771 328274511 /nfs/dbraw/zinc/27/45/11/328274511.db2.gz UQAREAXQVOUBOM-APHBMKBZSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000293157771 328274513 /nfs/dbraw/zinc/27/45/13/328274513.db2.gz UQAREAXQVOUBOM-APHBMKBZSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000293157776 328274578 /nfs/dbraw/zinc/27/45/78/328274578.db2.gz UQAREAXQVOUBOM-VBNZEHGJSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000293157776 328274579 /nfs/dbraw/zinc/27/45/79/328274579.db2.gz UQAREAXQVOUBOM-VBNZEHGJSA-N 1 2 290.794 3.406 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCCOCCc2ccccc2)c1O ZINC000298782158 328297380 /nfs/dbraw/zinc/29/73/80/328297380.db2.gz OIBNTHBXAOPHAY-XMHGGMMESA-N 1 2 299.370 3.166 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cn1 ZINC000565329181 322073127 /nfs/dbraw/zinc/07/31/27/322073127.db2.gz BXLVGWNNBKZVKR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cn1 ZINC000565329181 322073130 /nfs/dbraw/zinc/07/31/30/322073130.db2.gz BXLVGWNNBKZVKR-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000572314256 322331138 /nfs/dbraw/zinc/33/11/38/322331138.db2.gz XPPYAKBIPOEYEA-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000572314256 322331140 /nfs/dbraw/zinc/33/11/40/322331140.db2.gz XPPYAKBIPOEYEA-UHFFFAOYSA-N 1 2 293.370 3.126 20 30 CGEDLO C=CCCCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000342064194 328416269 /nfs/dbraw/zinc/41/62/69/328416269.db2.gz KQVWCPKVMGZHGG-UHFFFAOYSA-N 1 2 269.348 3.049 20 30 CGEDLO N#C[C@H]1CC[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)C1 ZINC000569541431 327195419 /nfs/dbraw/zinc/19/54/19/327195419.db2.gz SFKQHOBZVWALGB-UONOGXRCSA-N 1 2 270.380 3.176 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000559459442 327246260 /nfs/dbraw/zinc/24/62/60/327246260.db2.gz SMZAUCSMPFNMJB-UHFFFAOYSA-N 1 2 270.401 3.189 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000559459442 327246262 /nfs/dbraw/zinc/24/62/62/327246262.db2.gz SMZAUCSMPFNMJB-UHFFFAOYSA-N 1 2 270.401 3.189 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1Cc2cccnc2C1 ZINC000559758210 327260305 /nfs/dbraw/zinc/26/03/05/327260305.db2.gz BFDPLXFZYLKBFA-UHFFFAOYSA-N 1 2 277.371 3.399 20 30 CGEDLO CC(C)(C#N)c1ccccc1C[N@H+]1Cc2cccnc2C1 ZINC000559758210 327260306 /nfs/dbraw/zinc/26/03/06/327260306.db2.gz BFDPLXFZYLKBFA-UHFFFAOYSA-N 1 2 277.371 3.399 20 30 CGEDLO Fc1ccc(C#CC[NH+]2Cc3ccccc3C2)cc1 ZINC000160022803 327587292 /nfs/dbraw/zinc/58/72/92/327587292.db2.gz XUFDWOMPSRNBDG-UHFFFAOYSA-N 1 2 251.304 3.193 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582524227 329106934 /nfs/dbraw/zinc/10/69/34/329106934.db2.gz MGLSNTZRYQKHQK-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000582524227 329106935 /nfs/dbraw/zinc/10/69/35/329106935.db2.gz MGLSNTZRYQKHQK-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000184096115 329256199 /nfs/dbraw/zinc/25/61/99/329256199.db2.gz BGMARFPASPALDF-AWEZNQCLSA-N 1 2 288.782 3.308 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000583031841 329305159 /nfs/dbraw/zinc/30/51/59/329305159.db2.gz FNXKWGACZZDAJS-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000583031841 329305161 /nfs/dbraw/zinc/30/51/61/329305161.db2.gz FNXKWGACZZDAJS-GFCCVEGCSA-N 1 2 281.334 3.212 20 30 CGEDLO Cc1ccc(C[S@](=O)CCCC(C)(C)C#N)c(C)[nH+]1 ZINC000187228908 329355712 /nfs/dbraw/zinc/35/57/12/329355712.db2.gz WRUFQDHUOGJDRU-LJQANCHMSA-N 1 2 278.421 3.277 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cncc(C)c1 ZINC000189810641 329388920 /nfs/dbraw/zinc/38/89/20/329388920.db2.gz GCBOCKTUFDAWKD-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cncc(C)c1 ZINC000189810641 329388921 /nfs/dbraw/zinc/38/89/21/329388921.db2.gz GCBOCKTUFDAWKD-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000425282125 329907054 /nfs/dbraw/zinc/90/70/54/329907054.db2.gz NGTAEPCADSJLFN-ZFWWWQNUSA-N 1 2 289.423 3.148 20 30 CGEDLO N#CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000060893722 330426918 /nfs/dbraw/zinc/42/69/18/330426918.db2.gz NPUAPANYHFQOLB-UHFFFAOYSA-N 1 2 273.361 3.139 20 30 CGEDLO C=C(C)C(C)(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000424683405 330445331 /nfs/dbraw/zinc/44/53/31/330445331.db2.gz XOVBRDRTQHQLRX-UHFFFAOYSA-N 1 2 283.375 3.091 20 30 CGEDLO C=CCC1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CCCC1 ZINC000449849402 330952217 /nfs/dbraw/zinc/95/22/17/330952217.db2.gz JKAXMKUBPVMBNL-UHFFFAOYSA-N 1 2 297.402 3.395 20 30 CGEDLO COC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000450871380 331003970 /nfs/dbraw/zinc/00/39/70/331003970.db2.gz BEDHNLOALDMPLP-CQSZACIVSA-N 1 2 278.783 3.311 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450875648 331004269 /nfs/dbraw/zinc/00/42/69/331004269.db2.gz FYCIQPJIJAWICV-HNNXBMFYSA-N 1 2 293.432 3.021 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450875648 331004270 /nfs/dbraw/zinc/00/42/70/331004270.db2.gz FYCIQPJIJAWICV-HNNXBMFYSA-N 1 2 293.432 3.021 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)cn1 ZINC000450893276 331005277 /nfs/dbraw/zinc/00/52/77/331005277.db2.gz RHPDFNROWHBKGE-JTQLQIEISA-N 1 2 294.196 3.189 20 30 CGEDLO Cc1ccc(CNc2cccc(CC#N)c2)c(C)[nH+]1 ZINC000453141698 331093617 /nfs/dbraw/zinc/09/36/17/331093617.db2.gz HMGBHNGYSJCJQL-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO Cc1cc(Br)c(C[NH2+]CC(C)(C)C#N)s1 ZINC000453561955 331134311 /nfs/dbraw/zinc/13/43/11/331134311.db2.gz AOWCMWKXODRILF-UHFFFAOYSA-N 1 2 287.226 3.458 20 30 CGEDLO C=CCC(C)(C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454993804 331158451 /nfs/dbraw/zinc/15/84/51/331158451.db2.gz HCBXEZICNLNBAW-UHFFFAOYSA-N 1 2 275.396 3.100 20 30 CGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1(C#N)CC1 ZINC000490077307 332080409 /nfs/dbraw/zinc/08/04/09/332080409.db2.gz DNIWTWFBCFCLSH-AWEZNQCLSA-N 1 2 278.783 3.263 20 30 CGEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1(C#N)CC1 ZINC000490077307 332080411 /nfs/dbraw/zinc/08/04/11/332080411.db2.gz DNIWTWFBCFCLSH-AWEZNQCLSA-N 1 2 278.783 3.263 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc2c(C)cccn12)c1ccc(F)cc1 ZINC000491415834 332207744 /nfs/dbraw/zinc/20/77/44/332207744.db2.gz INKDHCRIFRSFNW-QGZVFWFLSA-N 1 2 293.345 3.246 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccccc1OC)c1ccc(F)cc1 ZINC000491736487 332316863 /nfs/dbraw/zinc/31/68/63/332316863.db2.gz ATJORNSDZDSWFI-INIZCTEOSA-N 1 2 269.319 3.298 20 30 CGEDLO C=CCCCC[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000311914638 333074358 /nfs/dbraw/zinc/07/43/58/333074358.db2.gz CQIKNUYMZUUSIE-OAHLLOKOSA-N 1 2 261.365 3.237 20 30 CGEDLO C=C1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000517469803 333100142 /nfs/dbraw/zinc/10/01/42/333100142.db2.gz ZWXTXFHDMFYVAM-UHFFFAOYSA-N 1 2 265.740 3.221 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000546637336 334042717 /nfs/dbraw/zinc/04/27/17/334042717.db2.gz LHBFTZKTOOTJKJ-LLVKDONJSA-N 1 2 271.364 3.423 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C)on1)[C@H]1CCc2ccccc21 ZINC000076996711 334092771 /nfs/dbraw/zinc/09/27/71/334092771.db2.gz UJZVVDSIUIFOEE-KRWDZBQOSA-N 1 2 266.344 3.106 20 30 CGEDLO C#CC[N@H+](Cc1cc(C)on1)[C@H]1CCc2ccccc21 ZINC000076996711 334092772 /nfs/dbraw/zinc/09/27/72/334092772.db2.gz UJZVVDSIUIFOEE-KRWDZBQOSA-N 1 2 266.344 3.106 20 30 CGEDLO C=CC[C@H](C(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000548646030 334165012 /nfs/dbraw/zinc/16/50/12/334165012.db2.gz SHGPHZUQYWPQHC-KRWDZBQOSA-N 1 2 297.402 3.139 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000577408378 335349832 /nfs/dbraw/zinc/34/98/32/335349832.db2.gz UOVMRJJLBPVOEC-LLVKDONJSA-N 1 2 299.324 3.351 20 30 CGEDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577408378 335349833 /nfs/dbraw/zinc/34/98/33/335349833.db2.gz UOVMRJJLBPVOEC-LLVKDONJSA-N 1 2 299.324 3.351 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccccc2C#N)s1 ZINC000179095250 335473098 /nfs/dbraw/zinc/47/30/98/335473098.db2.gz UWYMRDVZUYDLOZ-UHFFFAOYSA-N 1 2 271.389 3.348 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@@](C)(CCC)C(=O)OC)c1 ZINC000184044867 335916189 /nfs/dbraw/zinc/91/61/89/335916189.db2.gz VFEKZUAGNOXEFV-KRWDZBQOSA-N 1 2 291.391 3.073 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)c(SC)cc1OC ZINC000352097958 533785620 /nfs/dbraw/zinc/78/56/20/533785620.db2.gz XVEPLIVDRQXRAC-NSHDSACASA-N 1 2 294.420 3.017 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(SC)cc1OC ZINC000352097958 533785626 /nfs/dbraw/zinc/78/56/26/533785626.db2.gz XVEPLIVDRQXRAC-NSHDSACASA-N 1 2 294.420 3.017 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1nc2ccccc2o1 ZINC000331827123 534000137 /nfs/dbraw/zinc/00/01/37/534000137.db2.gz XLYVHECRNYFNCN-SRVKXCTJSA-N 1 2 255.321 3.171 20 30 CGEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCCOCC2)c1 ZINC000329304091 534240524 /nfs/dbraw/zinc/24/05/24/534240524.db2.gz XCEMYHNKIKDLCR-CQSZACIVSA-N 1 2 299.374 3.054 20 30 CGEDLO N#CC1(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000347411991 534549739 /nfs/dbraw/zinc/54/97/39/534549739.db2.gz CBQJBDRQAXEJMS-GFCCVEGCSA-N 1 2 276.767 3.097 20 30 CGEDLO N#CC1(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000347411991 534549749 /nfs/dbraw/zinc/54/97/49/534549749.db2.gz CBQJBDRQAXEJMS-GFCCVEGCSA-N 1 2 276.767 3.097 20 30 CGEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049237426 524965026 /nfs/dbraw/zinc/96/50/26/524965026.db2.gz FITAQPVNQFUGSI-JTQLQIEISA-N 1 2 294.280 3.274 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(C)n1 ZINC000352798865 526560034 /nfs/dbraw/zinc/56/00/34/526560034.db2.gz DRLIHAZKVSGTSL-UHFFFAOYSA-N 1 2 286.375 3.054 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(C)n1 ZINC000352798865 526560038 /nfs/dbraw/zinc/56/00/38/526560038.db2.gz DRLIHAZKVSGTSL-UHFFFAOYSA-N 1 2 286.375 3.054 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(Cl)c3)n2c1 ZINC000157619709 526694087 /nfs/dbraw/zinc/69/40/87/526694087.db2.gz UWRPTSGNELNBHT-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=C(CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000353345090 526876498 /nfs/dbraw/zinc/87/64/98/526876498.db2.gz JWABIWGEOSJTAB-UHFFFAOYSA-N 1 2 292.342 3.169 20 30 CGEDLO C=CC1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000336001973 526970575 /nfs/dbraw/zinc/97/05/75/526970575.db2.gz CKYWEWFEIVURFU-UHFFFAOYSA-N 1 2 284.363 3.073 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000367007201 527465853 /nfs/dbraw/zinc/46/58/53/527465853.db2.gz NQTYPTKSQQHOEV-CYBMUJFWSA-N 1 2 288.395 3.414 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000367007201 527465859 /nfs/dbraw/zinc/46/58/59/527465859.db2.gz NQTYPTKSQQHOEV-CYBMUJFWSA-N 1 2 288.395 3.414 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000336420178 527602257 /nfs/dbraw/zinc/60/22/57/527602257.db2.gz YUVMDPZDCAOLFO-AWEZNQCLSA-N 1 2 284.363 3.215 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@H](C)c1cccc(O)c1 ZINC000356057797 528882769 /nfs/dbraw/zinc/88/27/69/528882769.db2.gz FIXMKHWOVMIJSL-LLVKDONJSA-N 1 2 287.388 3.303 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@H](C)c1cccc(O)c1 ZINC000356057797 528882772 /nfs/dbraw/zinc/88/27/72/528882772.db2.gz FIXMKHWOVMIJSL-LLVKDONJSA-N 1 2 287.388 3.303 20 30 CGEDLO CCSc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425273862 529250936 /nfs/dbraw/zinc/25/09/36/529250936.db2.gz YWLKXDJKNHRPAY-UHFFFAOYSA-N 1 2 283.400 3.408 20 30 CGEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2cccs2)c(F)c1 ZINC000731029284 572390410 /nfs/dbraw/zinc/39/04/10/572390410.db2.gz QZFWSZFUUBJNAO-UHFFFAOYSA-N 1 2 289.335 3.000 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000731032817 572392261 /nfs/dbraw/zinc/39/22/61/572392261.db2.gz PMHJQAGAGNUUAF-UHFFFAOYSA-N 1 2 280.371 3.430 20 30 CGEDLO C=CCNC(=S)Nc1ccccc1Oc1cc[nH+]cc1 ZINC000731946297 572437753 /nfs/dbraw/zinc/43/77/53/572437753.db2.gz YRJDQTFHHLDDIQ-UHFFFAOYSA-N 1 2 285.372 3.346 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@H]2CCc3ccccc32)c1O ZINC000731938018 572439243 /nfs/dbraw/zinc/43/92/43/572439243.db2.gz QPNVVRKFJSTHGJ-VBEHJTROSA-N 1 2 267.328 3.247 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2CCSCC2)c(O)c1 ZINC000733204868 572542575 /nfs/dbraw/zinc/54/25/75/572542575.db2.gz CCZKUTRVHWFWCK-LFIBNONCSA-N 1 2 279.405 3.353 20 30 CGEDLO Oc1ccc(Br)cc1/C=[NH+]/CCC1CC1 ZINC000743044057 572635565 /nfs/dbraw/zinc/63/55/65/572635565.db2.gz DHFDGWSNNNEUGS-RIYZIHGNSA-N 1 2 268.154 3.374 20 30 CGEDLO COc1cccc(C=Nc2ccc3c(c2)[nH+]c(C)n3C)c1O ZINC000743045609 572635795 /nfs/dbraw/zinc/63/57/95/572635795.db2.gz QKMIKQQERUWFSW-UHFFFAOYSA-N 1 2 295.342 3.347 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1ccccc1Br ZINC000746143142 572857146 /nfs/dbraw/zinc/85/71/46/572857146.db2.gz CKVAQPWULIGXGW-LLVKDONJSA-N 1 2 266.182 3.465 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1ccccc1Br ZINC000746143142 572857148 /nfs/dbraw/zinc/85/71/48/572857148.db2.gz CKVAQPWULIGXGW-LLVKDONJSA-N 1 2 266.182 3.465 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000747061380 572907258 /nfs/dbraw/zinc/90/72/58/572907258.db2.gz GIIHHOMDLNGASU-UHFFFAOYSA-N 1 2 298.346 3.415 20 30 CGEDLO CC(C)CO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000749631606 573025955 /nfs/dbraw/zinc/02/59/55/573025955.db2.gz MIPXMTRLGDOTEX-UHFFFAOYSA-N 1 2 264.344 3.432 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970380957 613371554 /nfs/dbraw/zinc/37/15/54/613371554.db2.gz RQMUAXJGJDDGPZ-CHWSQXEVSA-N 1 2 298.858 3.002 20 30 CGEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)s2)C1 ZINC000957350183 613479513 /nfs/dbraw/zinc/47/95/13/613479513.db2.gz CRWMJDXPVNZFJD-UHFFFAOYSA-N 1 2 298.839 3.124 20 30 CGEDLO Cc1ccccc1CC(N)=[NH+]OCc1ccc(Cl)cn1 ZINC000120279785 617664539 /nfs/dbraw/zinc/66/45/39/617664539.db2.gz HNYGDRZBRMBURX-UHFFFAOYSA-N 1 2 289.766 3.075 20 30 CGEDLO CC(=O)c1ccccc1OCC[N@H+](CCC#N)CC(C)C ZINC000049800883 617937281 /nfs/dbraw/zinc/93/72/81/617937281.db2.gz RCOCUZJUDPMJKX-UHFFFAOYSA-N 1 2 288.391 3.140 20 30 CGEDLO CC(=O)c1ccccc1OCC[N@@H+](CCC#N)CC(C)C ZINC000049800883 617937283 /nfs/dbraw/zinc/93/72/83/617937283.db2.gz RCOCUZJUDPMJKX-UHFFFAOYSA-N 1 2 288.391 3.140 20 30 CGEDLO CCOc1cccc(/C=N/Cc2ccn3cc[nH+]c3c2)c1O ZINC000177694421 618018374 /nfs/dbraw/zinc/01/83/74/618018374.db2.gz HLSIZPCYPRMFHU-LDADJPATSA-N 1 2 295.342 3.058 20 30 CGEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(O)cc3)c[nH+]c12 ZINC000255323134 618199609 /nfs/dbraw/zinc/19/96/09/618199609.db2.gz MXGPMCGRBJCWPH-TWGQIWQCSA-N 1 2 278.311 3.244 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(F)c1 ZINC000255554362 618668346 /nfs/dbraw/zinc/66/83/46/618668346.db2.gz MSSLUVDYFUQXDV-FPLPWBNLSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)CC(OCC)OCC ZINC000184952164 625283931 /nfs/dbraw/zinc/28/39/31/625283931.db2.gz CDRJAFMTPIZWED-UHFFFAOYSA-N 1 2 281.371 3.213 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)CC(OCC)OCC ZINC000184952164 625283944 /nfs/dbraw/zinc/28/39/44/625283944.db2.gz CDRJAFMTPIZWED-UHFFFAOYSA-N 1 2 281.371 3.213 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000309552200 618733946 /nfs/dbraw/zinc/73/39/46/618733946.db2.gz GFOVEJDWSWQENZ-UHFFFAOYSA-N 1 2 256.733 3.278 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)Cc1ccccn1)c1cccc(C#N)c1O ZINC000926667242 618811924 /nfs/dbraw/zinc/81/19/24/618811924.db2.gz HBWLTLIPGAKCMC-DYVFJYSZSA-N 1 2 295.386 3.331 20 30 CGEDLO C=CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccncc1 ZINC000892972212 618967531 /nfs/dbraw/zinc/96/75/31/618967531.db2.gz GQMZBGNVKDYJJB-CYBMUJFWSA-N 1 2 286.404 3.218 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932147916 619303726 /nfs/dbraw/zinc/30/37/26/619303726.db2.gz JFCOKHJGTAVAFP-OAHLLOKOSA-N 1 2 267.376 3.223 20 30 CGEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932147916 619303728 /nfs/dbraw/zinc/30/37/28/619303728.db2.gz JFCOKHJGTAVAFP-OAHLLOKOSA-N 1 2 267.376 3.223 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cccc2c1NCCC2)C1CC1 ZINC000894086234 619366019 /nfs/dbraw/zinc/36/60/19/619366019.db2.gz ZRYZLNGJCWIODO-CYBMUJFWSA-N 1 2 269.392 3.169 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cccc2c1NCCC2)C1CC1 ZINC000894086234 619366023 /nfs/dbraw/zinc/36/60/23/619366023.db2.gz ZRYZLNGJCWIODO-CYBMUJFWSA-N 1 2 269.392 3.169 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)no1 ZINC000925028327 619499937 /nfs/dbraw/zinc/49/99/37/619499937.db2.gz ORJQCPGXRNCMKW-GFCCVEGCSA-N 1 2 288.347 3.099 20 30 CGEDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1F ZINC000093090673 619501082 /nfs/dbraw/zinc/50/10/82/619501082.db2.gz HVMMPMQVDUGBGY-CYBMUJFWSA-N 1 2 277.387 3.406 20 30 CGEDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1F ZINC000093090673 619501086 /nfs/dbraw/zinc/50/10/86/619501086.db2.gz HVMMPMQVDUGBGY-CYBMUJFWSA-N 1 2 277.387 3.406 20 30 CGEDLO Cc1cc(N2CCC[C@H](CC#N)C2)nc(C2CCC2)[nH+]1 ZINC000894487546 619550564 /nfs/dbraw/zinc/55/05/64/619550564.db2.gz UKMVGTSSQHBXTB-CYBMUJFWSA-N 1 2 270.380 3.183 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(F)cc1 ZINC000894575703 619580025 /nfs/dbraw/zinc/58/00/25/619580025.db2.gz VCOZQFPDQMFTEH-QGZVFWFLSA-N 1 2 283.350 3.211 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CCC1 ZINC000894967245 619687901 /nfs/dbraw/zinc/68/79/01/619687901.db2.gz RWANBYOCDHYNAW-UHFFFAOYSA-N 1 2 289.326 3.031 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895334542 619806429 /nfs/dbraw/zinc/80/64/29/619806429.db2.gz ITRDYUPTFHIBEC-HNNXBMFYSA-N 1 2 280.318 3.066 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895334542 619806432 /nfs/dbraw/zinc/80/64/32/619806432.db2.gz ITRDYUPTFHIBEC-HNNXBMFYSA-N 1 2 280.318 3.066 20 30 CGEDLO CSCc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896501087 620017736 /nfs/dbraw/zinc/01/77/36/620017736.db2.gz NQMFNUHEXRNVFX-HNNXBMFYSA-N 1 2 260.406 3.285 20 30 CGEDLO CSCc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896501087 620017741 /nfs/dbraw/zinc/01/77/41/620017741.db2.gz NQMFNUHEXRNVFX-HNNXBMFYSA-N 1 2 260.406 3.285 20 30 CGEDLO CCn1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502351 620018322 /nfs/dbraw/zinc/01/83/22/620018322.db2.gz XSPGQVFJTOQIJE-HNNXBMFYSA-N 1 2 294.402 3.306 20 30 CGEDLO CCn1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502351 620018326 /nfs/dbraw/zinc/01/83/26/620018326.db2.gz XSPGQVFJTOQIJE-HNNXBMFYSA-N 1 2 294.402 3.306 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCOC3(CCC3)C2)c1 ZINC000840708511 620095208 /nfs/dbraw/zinc/09/52/08/620095208.db2.gz XPGOFGGZWPJHRL-HTMJNSLASA-N 1 2 289.375 3.169 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCOC2(CCC2)C1 ZINC000840708565 620096039 /nfs/dbraw/zinc/09/60/39/620096039.db2.gz YFMAVTMLOWJLKD-KAECEXQPSA-N 1 2 259.349 3.160 20 30 CGEDLO CCOc1cccc(/C=[NH+]\C[C@H]2CCOC(C)(C)C2)c1O ZINC000840711703 620140154 /nfs/dbraw/zinc/14/01/54/620140154.db2.gz YRGDAHXPCOKVPF-CYUIRQCWSA-N 1 2 291.391 3.415 20 30 CGEDLO CC1(C)Cc2cccc(C[NH2+]Cc3nc(C#N)cs3)c2O1 ZINC000897632824 620414173 /nfs/dbraw/zinc/41/41/73/620414173.db2.gz QUNZGRAHJKHOKY-UHFFFAOYSA-N 1 2 299.399 3.018 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/COc2c(F)cccc2C1=O ZINC000901466853 620895651 /nfs/dbraw/zinc/89/56/51/620895651.db2.gz CQWAMEVZJFPZQB-WDZFZDKYSA-N 1 2 286.306 3.262 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\COc2cc(F)ccc2C1=O ZINC000901506753 620905874 /nfs/dbraw/zinc/90/58/74/620905874.db2.gz PPZQGZIWLKZOEK-VZUCSPMQSA-N 1 2 286.306 3.262 20 30 CGEDLO N#Cc1csc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)n1 ZINC000901652031 620967446 /nfs/dbraw/zinc/96/74/46/620967446.db2.gz BGRGZEIOYHJCSK-CYBMUJFWSA-N 1 2 291.326 3.070 20 30 CGEDLO CC(C)Oc1ccccc1C=NOCc1ccc(N)[nH+]c1 ZINC000902141980 621168988 /nfs/dbraw/zinc/16/89/88/621168988.db2.gz PRDUHXBOMLSUKN-UHFFFAOYSA-N 1 2 285.347 3.002 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C2CC2)n(C)c1=S ZINC000902669073 621395866 /nfs/dbraw/zinc/39/58/66/621395866.db2.gz JDNBNZFBTUPARS-UHFFFAOYSA-N 1 2 280.441 3.074 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C2CC2)n(C)c1=S ZINC000902669073 621395870 /nfs/dbraw/zinc/39/58/70/621395870.db2.gz JDNBNZFBTUPARS-UHFFFAOYSA-N 1 2 280.441 3.074 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C2CCC2)n(C)c1=S ZINC000902669333 621396293 /nfs/dbraw/zinc/39/62/93/621396293.db2.gz KTSROSMDQNSXMT-UHFFFAOYSA-N 1 2 294.468 3.464 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C2CCC2)n(C)c1=S ZINC000902669333 621396296 /nfs/dbraw/zinc/39/62/96/621396296.db2.gz KTSROSMDQNSXMT-UHFFFAOYSA-N 1 2 294.468 3.464 20 30 CGEDLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)n1 ZINC000902789234 621446561 /nfs/dbraw/zinc/44/65/61/621446561.db2.gz IFYQAHPFGVAXNG-GHMZBOCLSA-N 1 2 272.377 3.130 20 30 CGEDLO CC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc(C#N)c1 ZINC000903007526 621530577 /nfs/dbraw/zinc/53/05/77/621530577.db2.gz BHLKKSMBUXHBNK-CQSZACIVSA-N 1 2 288.782 3.186 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)cc(F)c1O ZINC000903033772 621536777 /nfs/dbraw/zinc/53/67/77/621536777.db2.gz ZKDOPPWLYGJBKI-VIFPVBQESA-N 1 2 266.291 3.015 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000903102410 621575919 /nfs/dbraw/zinc/57/59/19/621575919.db2.gz YIRKFGSJLXXOJS-ZDUSSCGKSA-N 1 2 260.385 3.170 20 30 CGEDLO COc1cc(OC)c([C@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903102068 621575969 /nfs/dbraw/zinc/57/59/69/621575969.db2.gz RFCBYKVWUCMIIR-JTQLQIEISA-N 1 2 294.782 3.312 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCCc3scnc32)CCCC1 ZINC000903108771 621582531 /nfs/dbraw/zinc/58/25/31/621582531.db2.gz GTSKBUIUNNGVRG-NSHDSACASA-N 1 2 261.394 3.194 20 30 CGEDLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1O ZINC000903190938 621627855 /nfs/dbraw/zinc/62/78/55/621627855.db2.gz ISGZYORAVHEVGW-JTQLQIEISA-N 1 2 299.399 3.060 20 30 CGEDLO C=CCC1(c2nc(-c3c[nH+]c(N)cc3C)no2)CCCC1 ZINC000904267258 621895363 /nfs/dbraw/zinc/89/53/63/621895363.db2.gz CWNPQTPYIFIBAV-UHFFFAOYSA-N 1 2 284.363 3.410 20 30 CGEDLO CC[N@H+](Cc1cn(C2CC2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000906259089 622210251 /nfs/dbraw/zinc/21/02/51/622210251.db2.gz UQNCSBAIGQWNKW-ZDUSSCGKSA-N 1 2 295.390 3.068 20 30 CGEDLO CC[N@@H+](Cc1cn(C2CC2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000906259089 622210255 /nfs/dbraw/zinc/21/02/55/622210255.db2.gz UQNCSBAIGQWNKW-ZDUSSCGKSA-N 1 2 295.390 3.068 20 30 CGEDLO C=CCC(C)(C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908396068 622348253 /nfs/dbraw/zinc/34/82/53/622348253.db2.gz DQMHFHNPFMJUEP-UHFFFAOYSA-N 1 2 260.381 3.339 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H](C)c2nccs2)c(O)c1 ZINC000753993009 623746428 /nfs/dbraw/zinc/74/64/28/623746428.db2.gz BYSJMPRKCUJGKK-YAFRSCOQSA-N 1 2 290.388 3.470 20 30 CGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1 ZINC000916268902 624133566 /nfs/dbraw/zinc/13/35/66/624133566.db2.gz DSOZYKOCNGHNNC-UHFFFAOYSA-N 1 2 298.346 3.497 20 30 CGEDLO CN(CCCC/[NH+]=C/c1cccc(O)c1O)c1ccccc1 ZINC000920173879 624454093 /nfs/dbraw/zinc/45/40/93/624454093.db2.gz WXJWKNOYDNFHIB-XMHGGMMESA-N 1 2 298.386 3.433 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2cc(C)sc2C)cc1 ZINC000920401028 624489664 /nfs/dbraw/zinc/48/96/64/624489664.db2.gz QKPPJCPDEURVKV-UHFFFAOYSA-N 1 2 290.388 3.211 20 30 CGEDLO C=C(C)C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000182621238 625020673 /nfs/dbraw/zinc/02/06/73/625020673.db2.gz GCGAUJYOJHARMJ-UHFFFAOYSA-N 1 2 293.348 3.337 20 30 CGEDLO C=C(C)C[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000182621238 625020675 /nfs/dbraw/zinc/02/06/75/625020675.db2.gz GCGAUJYOJHARMJ-UHFFFAOYSA-N 1 2 293.348 3.337 20 30 CGEDLO C=C(C)C[N@H+](C)CN1C(=S)N=NC1CCC1CCCC1 ZINC000182629152 625021458 /nfs/dbraw/zinc/02/14/58/625021458.db2.gz JNNZNEXCIVFSQR-UHFFFAOYSA-N 1 2 294.468 3.155 20 30 CGEDLO C=C(C)C[N@@H+](C)CN1C(=S)N=NC1CCC1CCCC1 ZINC000182629152 625021462 /nfs/dbraw/zinc/02/14/62/625021462.db2.gz JNNZNEXCIVFSQR-UHFFFAOYSA-N 1 2 294.468 3.155 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OCc1ccccc1Cl ZINC000072001948 625216209 /nfs/dbraw/zinc/21/62/09/625216209.db2.gz GVLQWSZNPQLMBS-UHFFFAOYSA-N 1 2 274.751 3.372 20 30 CGEDLO Cc1ccnc(N[NH+]=Cc2ccc3c(c2)CCCN3C)c1 ZINC000755905783 626659214 /nfs/dbraw/zinc/65/92/14/626659214.db2.gz JUHGLGNYNUSZDR-UHFFFAOYSA-N 1 2 280.375 3.218 20 30 CGEDLO CC(C)(C/[NH+]=C/c1ccccc1O)[C@@H]1CCCCO1 ZINC000758359058 626838991 /nfs/dbraw/zinc/83/89/91/626838991.db2.gz NILHYVKEPMRBLO-VUVCFOEZSA-N 1 2 261.365 3.406 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761763853 627059127 /nfs/dbraw/zinc/05/91/27/627059127.db2.gz ZFGGFAQOGUQQLS-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761763853 627059128 /nfs/dbraw/zinc/05/91/28/627059128.db2.gz ZFGGFAQOGUQQLS-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C#CCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000767496562 627411371 /nfs/dbraw/zinc/41/13/71/627411371.db2.gz PVJLJRLKSFGXMN-HNNXBMFYSA-N 1 2 280.375 3.022 20 30 CGEDLO C#CCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000767496562 627411374 /nfs/dbraw/zinc/41/13/74/627411374.db2.gz PVJLJRLKSFGXMN-HNNXBMFYSA-N 1 2 280.375 3.022 20 30 CGEDLO C#CC[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000767950690 627446183 /nfs/dbraw/zinc/44/61/83/627446183.db2.gz PNOMHHKQGZFROP-MRXNPFEDSA-N 1 2 293.370 3.006 20 30 CGEDLO Cc1cccc2c1C/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769609947 627569487 /nfs/dbraw/zinc/56/94/87/627569487.db2.gz JZNFLJYEACXARD-RAXLEYEMSA-N 1 2 274.323 3.465 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC2([C@@H](C)CCO)CCC2)c1 ZINC000775629406 628115952 /nfs/dbraw/zinc/11/59/52/628115952.db2.gz HBGYATVINVMBOT-FHXOWUIVSA-N 1 2 291.391 3.009 20 30 CGEDLO Cc1sc(NC(=O)c2cccc3[nH+]ccn32)c(C#N)c1C ZINC000776740032 628229372 /nfs/dbraw/zinc/22/93/72/628229372.db2.gz GOSBUNUFUSBPBH-UHFFFAOYSA-N 1 2 296.355 3.137 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c(F)c1 ZINC000781109977 628537176 /nfs/dbraw/zinc/53/71/76/628537176.db2.gz DFEPNSCUCGPOBW-ALCCZGGFSA-N 1 2 291.285 3.241 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000783684799 628739652 /nfs/dbraw/zinc/73/96/52/628739652.db2.gz JFZYKTVLBPWEJL-XNMUIVTDSA-N 1 2 291.391 3.415 20 30 CGEDLO Cc1ccc2c(C[N@@H+]3CCC[C@](C)(C#N)C3)cc(=O)oc2c1 ZINC000784451390 628814481 /nfs/dbraw/zinc/81/44/81/628814481.db2.gz VHKWJEYWJRSWSE-GOSISDBHSA-N 1 2 296.370 3.227 20 30 CGEDLO Cc1ccc2c(C[N@H+]3CCC[C@](C)(C#N)C3)cc(=O)oc2c1 ZINC000784451390 628814483 /nfs/dbraw/zinc/81/44/83/628814483.db2.gz VHKWJEYWJRSWSE-GOSISDBHSA-N 1 2 296.370 3.227 20 30 CGEDLO C[NH+](C)[C@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 ZINC000784589003 628823812 /nfs/dbraw/zinc/82/38/12/628823812.db2.gz PYTKELKUQQBIKB-HNNXBMFYSA-N 1 2 288.391 3.162 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000787997239 629038168 /nfs/dbraw/zinc/03/81/68/629038168.db2.gz ITNJXFXSISMUDX-UHFFFAOYSA-N 1 2 283.375 3.143 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000787997239 629038175 /nfs/dbraw/zinc/03/81/75/629038175.db2.gz ITNJXFXSISMUDX-UHFFFAOYSA-N 1 2 283.375 3.143 20 30 CGEDLO C=C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167438 629343211 /nfs/dbraw/zinc/34/32/11/629343211.db2.gz JHUNVQNRXZJREA-UHFFFAOYSA-N 1 2 255.720 3.337 20 30 CGEDLO C#CCCOc1ccc(CNc2c[nH+]ccc2OC)cc1 ZINC000119135939 629445778 /nfs/dbraw/zinc/44/57/78/629445778.db2.gz BBGCEWRMWJDDOZ-UHFFFAOYSA-N 1 2 282.343 3.104 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3ccccc3C2=O)s1 ZINC000794689326 629568255 /nfs/dbraw/zinc/56/82/55/629568255.db2.gz ALMOHNWHBVSYGT-XYOKQWHBSA-N 1 2 284.384 3.027 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccsc2)s1 ZINC000794707215 629569298 /nfs/dbraw/zinc/56/92/98/629569298.db2.gz LENHXDZPMVNHHQ-ONEGZZNKSA-N 1 2 278.402 3.162 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc(F)n1 ZINC000795010044 629622290 /nfs/dbraw/zinc/62/22/90/629622290.db2.gz UVYKOXQMXKMIAA-UHFFFAOYSA-N 1 2 284.338 3.024 20 30 CGEDLO C=C(Cl)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000795189945 629641691 /nfs/dbraw/zinc/64/16/91/629641691.db2.gz SRRPBINCNXVYSY-LBPRGKRZSA-N 1 2 268.763 3.089 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000795189945 629641697 /nfs/dbraw/zinc/64/16/97/629641697.db2.gz SRRPBINCNXVYSY-LBPRGKRZSA-N 1 2 268.763 3.089 20 30 CGEDLO Cc1nn(C(C)C)cc1CNc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000865295952 630057758 /nfs/dbraw/zinc/05/77/58/630057758.db2.gz OSJSSSWUQXQHNI-UHFFFAOYSA-N 1 2 294.362 3.133 20 30 CGEDLO NC(=[NH+]OCc1cnc2ccccc2c1)c1ccc(F)cc1 ZINC000799175066 630153227 /nfs/dbraw/zinc/15/32/27/630153227.db2.gz RYJWBBXIHJNUME-UHFFFAOYSA-N 1 2 295.317 3.211 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCC2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000801646636 630349160 /nfs/dbraw/zinc/34/91/60/630349160.db2.gz UUBVRWMJDDFLIB-OSAGIZJASA-N 1 2 291.391 3.413 20 30 CGEDLO COc1cccc(/C=[NH+]/CCC2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000801645630 630349347 /nfs/dbraw/zinc/34/93/47/630349347.db2.gz CXMXIKNHVZGPKD-AGGCCLRTSA-N 1 2 291.391 3.413 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)c1cc(C)on1)c1ccncc1 ZINC000810219303 630855664 /nfs/dbraw/zinc/85/56/64/630855664.db2.gz QLOGZKWLFDKPIQ-OCCSQVGLSA-N 1 2 257.337 3.346 20 30 CGEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NC1CC1 ZINC000811647339 631096639 /nfs/dbraw/zinc/09/66/39/631096639.db2.gz HPNJNLMQYRNGFB-UHFFFAOYSA-N 1 2 272.179 3.145 20 30 CGEDLO C(=NOCCC1CC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000814245733 631560196 /nfs/dbraw/zinc/56/01/96/631560196.db2.gz FQIPNKOKOBYGBL-UHFFFAOYSA-N 1 2 261.350 3.084 20 30 CGEDLO C#CC[N@@H+](Cc1c(F)ccc(O)c1F)C1CCCCC1 ZINC000816497852 631994526 /nfs/dbraw/zinc/99/45/26/631994526.db2.gz VWUJJWPNLXHGBM-UHFFFAOYSA-N 1 2 279.330 3.438 20 30 CGEDLO C#CC[N@H+](Cc1c(F)ccc(O)c1F)C1CCCCC1 ZINC000816497852 631994529 /nfs/dbraw/zinc/99/45/29/631994529.db2.gz VWUJJWPNLXHGBM-UHFFFAOYSA-N 1 2 279.330 3.438 20 30 CGEDLO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269200 633054442 /nfs/dbraw/zinc/05/44/42/633054442.db2.gz OXKQWOCYMWDQRI-WDEREUQCSA-N 1 2 299.374 3.151 20 30 CGEDLO CCC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCOCC1 ZINC000866277048 633061095 /nfs/dbraw/zinc/06/10/95/633061095.db2.gz IENMASCEVYEKNQ-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866308891 633075967 /nfs/dbraw/zinc/07/59/67/633075967.db2.gz JDCBVSGFECMCMR-MNOVXSKESA-N 1 2 299.374 3.323 20 30 CGEDLO CC[C@H](CSC)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866314124 633078945 /nfs/dbraw/zinc/07/89/45/633078945.db2.gz KIINEUVKEKLHJX-ZYHUDNBSSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc(C#N)c1O ZINC000866324657 633082388 /nfs/dbraw/zinc/08/23/88/633082388.db2.gz UQXKAVIEHRLILS-GXSJLCMTSA-N 1 2 266.291 3.102 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCCCS1)c1cccc(C#N)c1O ZINC000866336907 633084946 /nfs/dbraw/zinc/08/49/46/633084946.db2.gz SQLUUOATIMQYPE-WCQYABFASA-N 1 2 276.405 3.200 20 30 CGEDLO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866373190 633109631 /nfs/dbraw/zinc/10/96/31/633109631.db2.gz MBPSKTMMZDOYTC-JKDFXYPNSA-N 1 2 288.391 3.118 20 30 CGEDLO C[C@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1O ZINC000866390203 633118026 /nfs/dbraw/zinc/11/80/26/633118026.db2.gz SKXUEZPDDWGOCL-JTQLQIEISA-N 1 2 250.317 3.053 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cccc(C#N)c1O ZINC000866393057 633120368 /nfs/dbraw/zinc/12/03/68/633120368.db2.gz LGTTYJUPOBVCNE-BXKDBHETSA-N 1 2 280.318 3.206 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000829788560 633783575 /nfs/dbraw/zinc/78/35/75/633783575.db2.gz AKUVQXOVSUIHBJ-OLZOCXBDSA-N 1 2 293.436 3.119 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000829788560 633783578 /nfs/dbraw/zinc/78/35/78/633783578.db2.gz AKUVQXOVSUIHBJ-OLZOCXBDSA-N 1 2 293.436 3.119 20 30 CGEDLO O=C1OCC[C@@H]1CCC/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000871596940 633799268 /nfs/dbraw/zinc/79/92/68/633799268.db2.gz HSHSKAWPHDSLMH-BXUJETTOSA-N 1 2 297.354 3.308 20 30 CGEDLO C=C1CCC(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000888588844 633906040 /nfs/dbraw/zinc/90/60/40/633906040.db2.gz ADPMZHFSBKPRIL-UHFFFAOYSA-N 1 2 288.391 3.070 20 30 CGEDLO C=C1CCC(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000831002311 633909027 /nfs/dbraw/zinc/90/90/27/633909027.db2.gz XIXWABLWAULTEZ-UHFFFAOYSA-N 1 2 297.402 3.048 20 30 CGEDLO C#CC[C@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000831817971 634003750 /nfs/dbraw/zinc/00/37/50/634003750.db2.gz GVNPLALOLOVGEK-HNNXBMFYSA-N 1 2 285.391 3.274 20 30 CGEDLO CC(C)OC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCC1 ZINC000872115244 634039977 /nfs/dbraw/zinc/03/99/77/634039977.db2.gz JRSHLBNIZXQVJS-CYBMUJFWSA-N 1 2 288.391 3.262 20 30 CGEDLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000846211866 636159528 /nfs/dbraw/zinc/15/95/28/636159528.db2.gz HKCMDWHESOMRQK-ZDUSSCGKSA-N 1 2 297.358 3.303 20 30 CGEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C(F)F)cc1 ZINC000834827022 634249699 /nfs/dbraw/zinc/24/96/99/634249699.db2.gz HHTMITOSIJRTBR-FZMZJTMJSA-N 1 2 267.319 3.393 20 30 CGEDLO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000834902499 634279154 /nfs/dbraw/zinc/27/91/54/634279154.db2.gz BOXXWSXWGWZAOY-FZMZJTMJSA-N 1 2 283.799 3.413 20 30 CGEDLO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H](C)C#N ZINC000876617262 634868607 /nfs/dbraw/zinc/86/86/07/634868607.db2.gz IRAAWPDXJMDLME-NSHDSACASA-N 1 2 275.352 3.193 20 30 CGEDLO CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H](C)C#N ZINC000876617262 634868610 /nfs/dbraw/zinc/86/86/10/634868610.db2.gz IRAAWPDXJMDLME-NSHDSACASA-N 1 2 275.352 3.193 20 30 CGEDLO N#CC1CC[NH+](Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000876652655 634875845 /nfs/dbraw/zinc/87/58/45/634875845.db2.gz GRHOADGAPDDLCR-UHFFFAOYSA-N 1 2 275.739 3.217 20 30 CGEDLO Cc1ccc(Br)c(F)c1C[NH2+]C[C@@H](C)C#N ZINC000877320938 635026053 /nfs/dbraw/zinc/02/60/53/635026053.db2.gz BQQRRMLFSBHNFO-QMMMGPOBSA-N 1 2 285.160 3.146 20 30 CGEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737155 635847790 /nfs/dbraw/zinc/84/77/90/635847790.db2.gz DCGHUOGSQRVFBZ-MRXNPFEDSA-N 1 2 261.365 3.035 20 30 CGEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737155 635847794 /nfs/dbraw/zinc/84/77/94/635847794.db2.gz DCGHUOGSQRVFBZ-MRXNPFEDSA-N 1 2 261.365 3.035 20 30 CGEDLO C[C@@H](CC(=O)O[C@@H](C)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000844418217 635895245 /nfs/dbraw/zinc/89/52/45/635895245.db2.gz XHDUOBRKPAJNQT-STQMWFEESA-N 1 2 283.331 3.010 20 30 CGEDLO C=CCC[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000845492431 636040231 /nfs/dbraw/zinc/04/02/31/636040231.db2.gz FVVJKODUQWUDLP-OAHLLOKOSA-N 1 2 288.391 3.050 20 30 CGEDLO Cc1ncc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)s1 ZINC000106067081 636109772 /nfs/dbraw/zinc/10/97/72/636109772.db2.gz ASFGRDRWMIYVDV-UHFFFAOYSA-N 1 2 295.795 3.136 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)nc3ccccn32)CCCC1 ZINC000846010818 636129010 /nfs/dbraw/zinc/12/90/10/636129010.db2.gz JFGVKWXBQOSRPP-UHFFFAOYSA-N 1 2 288.782 3.161 20 30 CGEDLO C=CCCCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882872298 636442160 /nfs/dbraw/zinc/44/21/60/636442160.db2.gz BMVOHZWIPCKGCY-MRXNPFEDSA-N 1 2 283.375 3.097 20 30 CGEDLO CCCC(N=NCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000848416494 636571674 /nfs/dbraw/zinc/57/16/74/636571674.db2.gz NDIXNRFSCCOUND-ZDUSSCGKSA-N 1 2 262.401 3.065 20 30 CGEDLO CC[C@H]1C[C@H](C)CCC1N=NCCCn1cc[nH+]c1 ZINC000848419193 636572301 /nfs/dbraw/zinc/57/23/01/636572301.db2.gz VSJFPDXTDGUCGR-KGLIPLIRSA-N 1 2 262.401 3.065 20 30 CGEDLO C[C@@H](CCc1ccccc1)CN=NCCCn1cc[nH+]c1 ZINC000848419036 636572541 /nfs/dbraw/zinc/57/25/41/636572541.db2.gz XPAIUXPYQYBBKR-INIZCTEOSA-N 1 2 284.407 3.118 20 30 CGEDLO CC1(C)CC(N=NCCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000848418859 636572847 /nfs/dbraw/zinc/57/28/47/636572847.db2.gz QHCKZAVYRNEUED-UHFFFAOYSA-N 1 2 276.428 3.455 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000848923553 636694201 /nfs/dbraw/zinc/69/42/01/636694201.db2.gz GMFRASMKEJDSNM-SNVBAGLBSA-N 1 2 267.731 3.030 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000848923553 636694207 /nfs/dbraw/zinc/69/42/07/636694207.db2.gz GMFRASMKEJDSNM-SNVBAGLBSA-N 1 2 267.731 3.030 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000850143634 636967846 /nfs/dbraw/zinc/96/78/46/636967846.db2.gz GVWRECJONKQCEY-UHFFFAOYSA-N 1 2 265.662 3.269 20 30 CGEDLO N#CC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000851740677 637487926 /nfs/dbraw/zinc/48/79/26/637487926.db2.gz VNILHCNYFTUSCT-UHFFFAOYSA-N 1 2 257.362 3.032 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000852098204 637590680 /nfs/dbraw/zinc/59/06/80/637590680.db2.gz HJYULGBETAMVEK-HNNXBMFYSA-N 1 2 289.766 3.282 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cccc(C#N)c1O ZINC000926642026 638793579 /nfs/dbraw/zinc/79/35/79/638793579.db2.gz JVFAPXDILGKTBN-BPNCWPANSA-N 1 2 276.405 3.199 20 30 CGEDLO CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000926735539 638805468 /nfs/dbraw/zinc/80/54/68/638805468.db2.gz GBSGWKGKVNPHLP-AAEUAGOBSA-N 1 2 280.318 3.350 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1cscn1 ZINC000929341998 638920106 /nfs/dbraw/zinc/92/01/06/638920106.db2.gz AURDMGHFGYVFGM-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cscn1 ZINC000929341998 638920107 /nfs/dbraw/zinc/92/01/07/638920107.db2.gz AURDMGHFGYVFGM-UHFFFAOYSA-N 1 2 271.389 3.264 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000929655658 638937908 /nfs/dbraw/zinc/93/79/08/638937908.db2.gz FOPJNPGKLXNYSA-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000929655658 638937910 /nfs/dbraw/zinc/93/79/10/638937910.db2.gz FOPJNPGKLXNYSA-QGZVFWFLSA-N 1 2 295.411 3.243 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000934467122 639613588 /nfs/dbraw/zinc/61/35/88/639613588.db2.gz OQCGPYSSDOQXKQ-LLVKDONJSA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000934467122 639613591 /nfs/dbraw/zinc/61/35/91/639613591.db2.gz OQCGPYSSDOQXKQ-LLVKDONJSA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000934467124 639614175 /nfs/dbraw/zinc/61/41/75/639614175.db2.gz OQCGPYSSDOQXKQ-NSHDSACASA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000934467124 639614180 /nfs/dbraw/zinc/61/41/80/639614180.db2.gz OQCGPYSSDOQXKQ-NSHDSACASA-N 1 2 289.766 3.139 20 30 CGEDLO C#CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000155879854 639953987 /nfs/dbraw/zinc/95/39/87/639953987.db2.gz WSKOBRCNQDDTMD-UHFFFAOYSA-N 1 2 276.311 3.112 20 30 CGEDLO C#CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000155879854 639953995 /nfs/dbraw/zinc/95/39/95/639953995.db2.gz WSKOBRCNQDDTMD-UHFFFAOYSA-N 1 2 276.311 3.112 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083689007 640599157 /nfs/dbraw/zinc/59/91/57/640599157.db2.gz QLCNHVILRONRDF-GFCCVEGCSA-N 1 2 276.218 3.032 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083689007 640599160 /nfs/dbraw/zinc/59/91/60/640599160.db2.gz QLCNHVILRONRDF-GFCCVEGCSA-N 1 2 276.218 3.032 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007199547 640914583 /nfs/dbraw/zinc/91/45/83/640914583.db2.gz OPVIFVSBYYSLRI-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007199547 640914586 /nfs/dbraw/zinc/91/45/86/640914586.db2.gz OPVIFVSBYYSLRI-HNNXBMFYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009151603 640956332 /nfs/dbraw/zinc/95/63/32/640956332.db2.gz HBZCBBFDOIBMIA-UKRRQHHQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009151603 640956335 /nfs/dbraw/zinc/95/63/35/640956335.db2.gz HBZCBBFDOIBMIA-UKRRQHHQSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016370987 640996903 /nfs/dbraw/zinc/99/69/03/640996903.db2.gz GYLVJCTVPYWWGL-UGWHAMFMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016370987 640996907 /nfs/dbraw/zinc/99/69/07/640996907.db2.gz GYLVJCTVPYWWGL-UGWHAMFMSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1cc(C#N)ccc1-c1[nH]c2ccc(N(C)C)cc2[nH+]1 ZINC001251262814 805875931 /nfs/dbraw/zinc/87/59/31/805875931.db2.gz UTSBKUFMPWUFBR-UHFFFAOYSA-N 1 2 276.343 3.476 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2c(Cl)cncc2Cl)c1 ZINC001158303031 805936378 /nfs/dbraw/zinc/93/63/78/805936378.db2.gz VSMINDWLTXVYGP-UHFFFAOYSA-N 1 2 293.157 3.462 20 30 CGEDLO C=CCCCNc1[nH+]ccc2cc(C(=O)OCC)[nH]c21 ZINC001159259852 806067162 /nfs/dbraw/zinc/06/71/62/806067162.db2.gz VJTBZKRTVBGWSH-UHFFFAOYSA-N 1 2 273.336 3.118 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001253227306 806184884 /nfs/dbraw/zinc/18/48/84/806184884.db2.gz GGOMSJJWPBHAPK-CQSZACIVSA-N 1 2 263.385 3.084 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1[nH+]cccc1OC ZINC001253231963 806185498 /nfs/dbraw/zinc/18/54/98/806185498.db2.gz FBPZDKBJZSQDNY-AWEZNQCLSA-N 1 2 278.396 3.390 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1[nH+]c[nH]c1C ZINC001253233961 806188067 /nfs/dbraw/zinc/18/80/67/806188067.db2.gz QZACENLHENQSIU-CYBMUJFWSA-N 1 2 251.374 3.018 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCc2oc(C)nc2C1 ZINC001253242201 806191714 /nfs/dbraw/zinc/19/17/14/806191714.db2.gz ILKJZMTXWSDEAF-HNNXBMFYSA-N 1 2 292.423 3.229 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCc2oc(C)nc2C1 ZINC001253242201 806191716 /nfs/dbraw/zinc/19/17/16/806191716.db2.gz ILKJZMTXWSDEAF-HNNXBMFYSA-N 1 2 292.423 3.229 20 30 CGEDLO C=C[C@H](O)CNc1ccc2[nH+]c3ccccc3cc2c1 ZINC001253592744 806268109 /nfs/dbraw/zinc/26/81/09/806268109.db2.gz WVMUBUCDAIOYGX-HNNXBMFYSA-N 1 2 264.328 3.347 20 30 CGEDLO CCCCCCCCCCN(C)C(=O)C[NH2+]CCC#N ZINC001161228248 806359582 /nfs/dbraw/zinc/35/95/82/806359582.db2.gz WLRRVLXTOODHPQ-UHFFFAOYSA-N 1 2 281.444 3.089 20 30 CGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCc2ccccc2CC1)C(=O)OCC ZINC001254455111 806407133 /nfs/dbraw/zinc/40/71/33/806407133.db2.gz WVVYGKSABGZZGN-QFBILLFUSA-N 1 2 299.414 3.031 20 30 CGEDLO Cc1ccc(C)c(CCNc2[nH+]cccc2CC#N)c1 ZINC001161829804 806467330 /nfs/dbraw/zinc/46/73/30/806467330.db2.gz DNBQFURCFMEEED-UHFFFAOYSA-N 1 2 265.360 3.419 20 30 CGEDLO N#C[C@@H]1CC[C@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001254652864 806475469 /nfs/dbraw/zinc/47/54/69/806475469.db2.gz HVXJUGTZDZSTRM-QAPCUYQASA-N 1 2 292.386 3.171 20 30 CGEDLO COc1cc[nH+]c(C(C)(C)CNc2ncc(C)cc2C#N)c1 ZINC001162128558 806510496 /nfs/dbraw/zinc/51/04/96/806510496.db2.gz QIVSHCVOPMTJEY-UHFFFAOYSA-N 1 2 296.374 3.055 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001255161831 806559777 /nfs/dbraw/zinc/55/97/77/806559777.db2.gz ALAMGPDORLRWJZ-RISCZKNCSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001255165181 806562580 /nfs/dbraw/zinc/56/25/80/806562580.db2.gz VDGYTPZPUDRLJU-KGLIPLIRSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001255165181 806562583 /nfs/dbraw/zinc/56/25/83/806562583.db2.gz VDGYTPZPUDRLJU-KGLIPLIRSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001255165640 806563644 /nfs/dbraw/zinc/56/36/44/806563644.db2.gz ZNLGFGSNRSJGIP-AAEUAGOBSA-N 1 2 264.756 3.445 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCN(c2c(C)cccc2C)CC1 ZINC001255179885 806572414 /nfs/dbraw/zinc/57/24/14/806572414.db2.gz TUJNMTJIRPGRFI-MRXNPFEDSA-N 1 2 271.408 3.118 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1ccncc1C ZINC001162715522 806651417 /nfs/dbraw/zinc/65/14/17/806651417.db2.gz CPNZXCQZNYJFTJ-UHFFFAOYSA-N 1 2 253.349 3.434 20 30 CGEDLO C#CCCC1(CCNc2[nH+]ccc3ccc(C#N)cc32)N=N1 ZINC001163380231 806754639 /nfs/dbraw/zinc/75/46/39/806754639.db2.gz ULFUXMPJOMBQRH-UHFFFAOYSA-N 1 2 289.342 3.484 20 30 CGEDLO C[C@](O)(CC/[NH+]=C\c1ccccc1O)c1ccccc1 ZINC000588523260 799705421 /nfs/dbraw/zinc/70/54/21/799705421.db2.gz YFKBHOMLZIFBET-XIDKLXSXSA-N 1 2 269.344 3.109 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1C#N ZINC000700693533 799878044 /nfs/dbraw/zinc/87/80/44/799878044.db2.gz IXUOSIBNVWMCAB-UHFFFAOYSA-N 1 2 291.192 3.351 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC=C(Br)C2)cc1C#N ZINC000700693533 799878053 /nfs/dbraw/zinc/87/80/53/799878053.db2.gz IXUOSIBNVWMCAB-UHFFFAOYSA-N 1 2 291.192 3.351 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC4(C3)CC(F)(F)C4)c2c1 ZINC001163745787 806816347 /nfs/dbraw/zinc/81/63/47/806816347.db2.gz JUWFUKLPMOUTLP-UHFFFAOYSA-N 1 2 285.297 3.342 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394123 800962579 /nfs/dbraw/zinc/96/25/79/800962579.db2.gz PGHCNCILTAZEPQ-KGLIPLIRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033394123 800962582 /nfs/dbraw/zinc/96/25/82/800962582.db2.gz PGHCNCILTAZEPQ-KGLIPLIRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046299185 801306983 /nfs/dbraw/zinc/30/69/83/801306983.db2.gz GQCHJYWKXPCZSH-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046299185 801306987 /nfs/dbraw/zinc/30/69/87/801306987.db2.gz GQCHJYWKXPCZSH-AWEZNQCLSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071313270 801526870 /nfs/dbraw/zinc/52/68/70/801526870.db2.gz XCTCXUNNKVZBPE-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071313270 801526875 /nfs/dbraw/zinc/52/68/75/801526875.db2.gz XCTCXUNNKVZBPE-ZFWWWQNUSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754581 801653448 /nfs/dbraw/zinc/65/34/48/801653448.db2.gz QLZCXZGTSADWJP-UXIGCNINSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754581 801653452 /nfs/dbraw/zinc/65/34/52/801653452.db2.gz QLZCXZGTSADWJP-UXIGCNINSA-N 1 2 298.858 3.002 20 30 CGEDLO C#C[C@H]1CCCCN1c1cc(C)[nH+]c(C2CCC2)n1 ZINC001164326240 806931797 /nfs/dbraw/zinc/93/17/97/806931797.db2.gz XLKCVISBCOMBFN-AWEZNQCLSA-N 1 2 255.365 3.045 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001109051685 802106329 /nfs/dbraw/zinc/10/63/29/802106329.db2.gz GONSCSMXOJUKJG-ATGSNQNLSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001109051685 802106332 /nfs/dbraw/zinc/10/63/32/802106332.db2.gz GONSCSMXOJUKJG-ATGSNQNLSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109128506 802108849 /nfs/dbraw/zinc/10/88/49/802108849.db2.gz CKXWZDXWDGJVDK-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109128506 802108855 /nfs/dbraw/zinc/10/88/55/802108855.db2.gz CKXWZDXWDGJVDK-ILXRZTDVSA-N 1 2 296.842 3.041 20 30 CGEDLO C#CC[N@@H+](Cc1nc(-c2ccc(CC)cc2)no1)CC1CC1 ZINC001116369463 802336922 /nfs/dbraw/zinc/33/69/22/802336922.db2.gz LPVZXIZWWCUYMB-UHFFFAOYSA-N 1 2 295.386 3.144 20 30 CGEDLO C#CC[N@H+](Cc1nc(-c2ccc(CC)cc2)no1)CC1CC1 ZINC001116369463 802336931 /nfs/dbraw/zinc/33/69/31/802336931.db2.gz LPVZXIZWWCUYMB-UHFFFAOYSA-N 1 2 295.386 3.144 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(F)cc1F ZINC001117392620 802464653 /nfs/dbraw/zinc/46/46/53/802464653.db2.gz TWGIMWNTCNASKI-VMPITWQZSA-N 1 2 288.297 3.322 20 30 CGEDLO N#Cc1cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)ccc1N ZINC001244118044 803195230 /nfs/dbraw/zinc/19/52/30/803195230.db2.gz NUKFGVJGYVESGV-UHFFFAOYSA-N 1 2 278.290 3.132 20 30 CGEDLO C=CCCCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209431538 814031095 /nfs/dbraw/zinc/03/10/95/814031095.db2.gz PJEQQZMHQROHFG-ZDUSSCGKSA-N 1 2 261.356 3.215 20 30 CGEDLO C=CCCCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209431538 814031102 /nfs/dbraw/zinc/03/11/02/814031102.db2.gz PJEQQZMHQROHFG-ZDUSSCGKSA-N 1 2 261.356 3.215 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131834135 803350176 /nfs/dbraw/zinc/35/01/76/803350176.db2.gz JYJGRULTDNQFON-TZMCWYRMSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131834135 803350181 /nfs/dbraw/zinc/35/01/81/803350181.db2.gz JYJGRULTDNQFON-TZMCWYRMSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132305342 803394012 /nfs/dbraw/zinc/39/40/12/803394012.db2.gz OOTRAQATQYINGR-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132305342 803394015 /nfs/dbraw/zinc/39/40/15/803394015.db2.gz OOTRAQATQYINGR-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO CC[C@@H](C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001136461141 803644143 /nfs/dbraw/zinc/64/41/43/803644143.db2.gz ZBQPIZOHGXFDGT-JTQLQIEISA-N 1 2 288.738 3.014 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](CCC#N)C3CCCC3)n2c1 ZINC001137308928 803712163 /nfs/dbraw/zinc/71/21/63/803712163.db2.gz NMVJCAVDGDPGNQ-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](CCC#N)C3CCCC3)n2c1 ZINC001137308928 803712167 /nfs/dbraw/zinc/71/21/67/803712167.db2.gz NMVJCAVDGDPGNQ-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO Cc1ccc2[nH+]cc(CN(CCC#N)C3CCCC3)n2c1 ZINC001137308928 803712168 /nfs/dbraw/zinc/71/21/68/803712168.db2.gz NMVJCAVDGDPGNQ-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3ccc(C)cc3C2)c(C#N)c1 ZINC001137698258 803758938 /nfs/dbraw/zinc/75/89/38/803758938.db2.gz QGOBPPUARLWUOR-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3ccc(C)cc3C2)c(C#N)c1 ZINC001137698258 803758943 /nfs/dbraw/zinc/75/89/43/803758943.db2.gz QGOBPPUARLWUOR-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(F)c1F ZINC001137964516 803810066 /nfs/dbraw/zinc/81/00/66/803810066.db2.gz DZCUMSCCWHNLCT-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(Oc2ncccn2)c1 ZINC001138622543 803984171 /nfs/dbraw/zinc/98/41/71/803984171.db2.gz RNOJYSIDBJBVGS-UHFFFAOYSA-N 1 2 282.347 3.004 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(Oc2ncccn2)c1 ZINC001138622543 803984177 /nfs/dbraw/zinc/98/41/77/803984177.db2.gz RNOJYSIDBJBVGS-UHFFFAOYSA-N 1 2 282.347 3.004 20 30 CGEDLO C=C(C)COc1ccccc1C[NH+]1CC(OC(C)C)C1 ZINC001138666265 803998979 /nfs/dbraw/zinc/99/89/79/803998979.db2.gz OHPNRKOXHFEDLB-UHFFFAOYSA-N 1 2 275.392 3.251 20 30 CGEDLO Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001138721515 804018095 /nfs/dbraw/zinc/01/80/95/804018095.db2.gz XBSDCOHEHFBOPR-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1ccc(O)c(Nc2ccc(C3(C#N)CC3)cc2)[nH+]1 ZINC001212247375 814996534 /nfs/dbraw/zinc/99/65/34/814996534.db2.gz HZXYRRNIUDBZJT-UHFFFAOYSA-N 1 2 265.316 3.394 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2C(F)F)C1 ZINC001139803115 804286788 /nfs/dbraw/zinc/28/67/88/804286788.db2.gz ZNXUFCBSUVBEPL-AWEZNQCLSA-N 1 2 250.292 3.360 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2C(F)F)C1 ZINC001139803115 804286798 /nfs/dbraw/zinc/28/67/98/804286798.db2.gz ZNXUFCBSUVBEPL-AWEZNQCLSA-N 1 2 250.292 3.360 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC001140787634 804515778 /nfs/dbraw/zinc/51/57/78/804515778.db2.gz PYDKDWBYFSRINY-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc(O)cc(Cl)c1)C2 ZINC001140787634 804515783 /nfs/dbraw/zinc/51/57/83/804515783.db2.gz PYDKDWBYFSRINY-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C[N@H+](CCC(=O)c1ccccc1)Cc1ccc(F)cc1C#N ZINC001141166502 804603374 /nfs/dbraw/zinc/60/33/74/804603374.db2.gz SBHPICBYYRJUHQ-UHFFFAOYSA-N 1 2 296.345 3.402 20 30 CGEDLO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(F)cc1C#N ZINC001141166502 804603379 /nfs/dbraw/zinc/60/33/79/804603379.db2.gz SBHPICBYYRJUHQ-UHFFFAOYSA-N 1 2 296.345 3.402 20 30 CGEDLO COc1ccc(C(F)(F)F)cc1C[NH+]1CCC(C#N)CC1 ZINC001141200446 804610157 /nfs/dbraw/zinc/61/01/57/804610157.db2.gz SGKNOSKVKWZVQO-UHFFFAOYSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(C(F)(F)F)c1 ZINC001143473322 804856398 /nfs/dbraw/zinc/85/63/98/804856398.db2.gz MQTQCMKLHWGRER-UHFFFAOYSA-N 1 2 298.308 3.450 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001143561557 804865344 /nfs/dbraw/zinc/86/53/44/804865344.db2.gz UPSUOKYDTLUREU-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143561557 804865348 /nfs/dbraw/zinc/86/53/48/804865348.db2.gz UPSUOKYDTLUREU-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001248748756 804983055 /nfs/dbraw/zinc/98/30/55/804983055.db2.gz VWRYJEBWPOXDJS-AWEZNQCLSA-N 1 2 282.309 3.300 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001248748756 804983059 /nfs/dbraw/zinc/98/30/59/804983059.db2.gz VWRYJEBWPOXDJS-AWEZNQCLSA-N 1 2 282.309 3.300 20 30 CGEDLO CCc1cc(C#N)ccc1C[NH+]1CC(Oc2ccccc2)C1 ZINC001248751509 804983607 /nfs/dbraw/zinc/98/36/07/804983607.db2.gz YNNAXAOVFOXQGL-UHFFFAOYSA-N 1 2 292.382 3.384 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+]1CCN(CC)CC1(C)C ZINC001248753246 804986317 /nfs/dbraw/zinc/98/63/17/804986317.db2.gz YFMWGBOIZLVBTR-UHFFFAOYSA-N 1 2 285.435 3.037 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCN(CC)CC1(C)C ZINC001248753246 804986320 /nfs/dbraw/zinc/98/63/20/804986320.db2.gz YFMWGBOIZLVBTR-UHFFFAOYSA-N 1 2 285.435 3.037 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(OC)c1 ZINC001144488603 804994798 /nfs/dbraw/zinc/99/47/98/804994798.db2.gz PRCHWIWSJGZBAS-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(OC)c1 ZINC001144488603 804994800 /nfs/dbraw/zinc/99/48/00/804994800.db2.gz PRCHWIWSJGZBAS-UHFFFAOYSA-N 1 2 266.772 3.474 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257078983 807045095 /nfs/dbraw/zinc/04/50/95/807045095.db2.gz WAFWMDFAPBIYLW-HUUCEWRRSA-N 1 2 299.455 3.436 20 30 CGEDLO N#CC1([NH2+]C2CCC3(COC3)CC2)CCCCCC1 ZINC001257897617 807246521 /nfs/dbraw/zinc/24/65/21/807246521.db2.gz IJJQKSOHVSDGMP-UHFFFAOYSA-N 1 2 262.397 3.152 20 30 CGEDLO CCCCCCC[C@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001258042693 807272858 /nfs/dbraw/zinc/27/28/58/807272858.db2.gz VBOIBMOBSLEMOK-ZDUSSCGKSA-N 1 2 255.402 3.421 20 30 CGEDLO C=CCC[C@@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001258734310 807580566 /nfs/dbraw/zinc/58/05/66/807580566.db2.gz WMPKPABYNIQPTG-ZJUUUORDSA-N 1 2 288.317 3.028 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001258734310 807580570 /nfs/dbraw/zinc/58/05/70/807580570.db2.gz WMPKPABYNIQPTG-ZJUUUORDSA-N 1 2 288.317 3.028 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1CCC[C@@H]1C(=O)OCC ZINC001170959180 807945967 /nfs/dbraw/zinc/94/59/67/807945967.db2.gz QJNBRIUGKIFBAD-GJZGRUSLSA-N 1 2 288.391 3.262 20 30 CGEDLO FC(F)(F)c1c[nH]c2[nH+]ccc(NCCCS)c12 ZINC001171002700 807957455 /nfs/dbraw/zinc/95/74/55/807957455.db2.gz YRVRACQJRDRGAV-UHFFFAOYSA-N 1 2 275.299 3.314 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388204 808042362 /nfs/dbraw/zinc/04/23/62/808042362.db2.gz MNJOVYFTADXDTI-FZMZJTMJSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388204 808042372 /nfs/dbraw/zinc/04/23/72/808042372.db2.gz MNJOVYFTADXDTI-FZMZJTMJSA-N 1 2 276.330 3.058 20 30 CGEDLO COc1cc(F)cc(CNc2cc(C3(C#N)CC3)cc[nH+]2)c1 ZINC001171413335 808050378 /nfs/dbraw/zinc/05/03/78/808050378.db2.gz XQOLPPREOVERHK-UHFFFAOYSA-N 1 2 297.333 3.397 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001266251192 808232900 /nfs/dbraw/zinc/23/29/00/808232900.db2.gz AHWUKSAVDJZYFT-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001266251192 808232906 /nfs/dbraw/zinc/23/29/06/808232906.db2.gz AHWUKSAVDJZYFT-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001266251190 808233548 /nfs/dbraw/zinc/23/35/48/808233548.db2.gz AHWUKSAVDJZYFT-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001266251190 808233553 /nfs/dbraw/zinc/23/35/53/808233553.db2.gz AHWUKSAVDJZYFT-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001266413178 808258927 /nfs/dbraw/zinc/25/89/27/808258927.db2.gz IELHEQBGDUTVAA-TZMCWYRMSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001266413178 808258931 /nfs/dbraw/zinc/25/89/31/808258931.db2.gz IELHEQBGDUTVAA-TZMCWYRMSA-N 1 2 286.847 3.003 20 30 CGEDLO C[C@H](CCCC#N)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172497976 808355407 /nfs/dbraw/zinc/35/54/07/808355407.db2.gz HZJHEMJNJZNWDK-CQSZACIVSA-N 1 2 280.375 3.270 20 30 CGEDLO C[C@H](CCCC#N)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172497976 808355414 /nfs/dbraw/zinc/35/54/14/808355414.db2.gz HZJHEMJNJZNWDK-CQSZACIVSA-N 1 2 280.375 3.270 20 30 CGEDLO C[C@@H](CCCC#N)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172498153 808356024 /nfs/dbraw/zinc/35/60/24/808356024.db2.gz JGIVQHFDUZXDQQ-BLLLJJGKSA-N 1 2 294.345 3.420 20 30 CGEDLO C[C@@H](CCCC#N)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001172498153 808356032 /nfs/dbraw/zinc/35/60/32/808356032.db2.gz JGIVQHFDUZXDQQ-BLLLJJGKSA-N 1 2 294.345 3.420 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172605179 808401585 /nfs/dbraw/zinc/40/15/85/808401585.db2.gz XECJLOUIJUPIDM-DGCLKSJQSA-N 1 2 265.328 3.005 20 30 CGEDLO CC(=O)Nc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1C#N ZINC001213032411 815206042 /nfs/dbraw/zinc/20/60/42/815206042.db2.gz DPVBCVVXYOORJF-UHFFFAOYSA-N 1 2 291.314 3.137 20 30 CGEDLO N#CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCC1 ZINC001172901470 808476236 /nfs/dbraw/zinc/47/62/36/808476236.db2.gz NMYSJWNOZRGUPB-HNNXBMFYSA-N 1 2 299.374 3.268 20 30 CGEDLO CO[C@H]1CCC[C@H]([NH2+]C2(C#N)CCCCCC2)C1 ZINC001172917191 808478864 /nfs/dbraw/zinc/47/88/64/808478864.db2.gz BHXOGODMOWVEGL-KBPBESRZSA-N 1 2 250.386 3.150 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001268734851 808617965 /nfs/dbraw/zinc/61/79/65/808617965.db2.gz BFXJEZZFYTXEHW-QWHCGFSZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001268734851 808617968 /nfs/dbraw/zinc/61/79/68/808617968.db2.gz BFXJEZZFYTXEHW-QWHCGFSZSA-N 1 2 288.863 3.248 20 30 CGEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173339595 808620074 /nfs/dbraw/zinc/62/00/74/808620074.db2.gz PEDDKRLBKZADMI-KBPBESRZSA-N 1 2 299.480 3.331 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001268753328 808624489 /nfs/dbraw/zinc/62/44/89/808624489.db2.gz OYCDMRFVEAHTGQ-TZMCWYRMSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001268753328 808624493 /nfs/dbraw/zinc/62/44/93/808624493.db2.gz OYCDMRFVEAHTGQ-TZMCWYRMSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@](C)(F)CCCC ZINC001275864922 808972389 /nfs/dbraw/zinc/97/23/89/808972389.db2.gz CWQVKWKWCDYJFZ-OCCSQVGLSA-N 1 2 292.826 3.094 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@](C)(F)CCCC ZINC001275864922 808972394 /nfs/dbraw/zinc/97/23/94/808972394.db2.gz CWQVKWKWCDYJFZ-OCCSQVGLSA-N 1 2 292.826 3.094 20 30 CGEDLO CC(C)n1c[nH+]c2cc(Nc3ccnc(C#N)c3)ccc21 ZINC001174381317 808985495 /nfs/dbraw/zinc/98/54/95/808985495.db2.gz VXXKJCSNRWYBKL-UHFFFAOYSA-N 1 2 277.331 3.049 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C(CC(C)C)CC(C)C)C1 ZINC001277706722 809089972 /nfs/dbraw/zinc/08/99/72/809089972.db2.gz GEIPUHSYZFFVEY-UHFFFAOYSA-N 1 2 280.456 3.023 20 30 CGEDLO Cc1ccc(O)c(Nc2cccc(C3(C#N)CC3)c2)[nH+]1 ZINC001213313741 815264097 /nfs/dbraw/zinc/26/40/97/815264097.db2.gz CLSTXEGSBQHORS-UHFFFAOYSA-N 1 2 265.316 3.394 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001278438113 809133570 /nfs/dbraw/zinc/13/35/70/809133570.db2.gz OQNXNPMWDQVWJP-CJNGLKHVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001278438113 809133572 /nfs/dbraw/zinc/13/35/72/809133572.db2.gz OQNXNPMWDQVWJP-CJNGLKHVSA-N 1 2 298.858 3.146 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352552 809373652 /nfs/dbraw/zinc/37/36/52/809373652.db2.gz VWNMXXXDIPSPLQ-UHFFFAOYSA-N 1 2 293.374 3.339 20 30 CGEDLO C#Cc1cc(Nc2c(F)cccc2C2CC2)cc[nH+]1 ZINC001213447663 815284111 /nfs/dbraw/zinc/28/41/11/815284111.db2.gz HMHFTCATMGIZIW-UHFFFAOYSA-N 1 2 252.292 3.245 20 30 CGEDLO C#Cc1cc(Nc2cc(C)c(Cl)cc2F)cc[nH+]1 ZINC001176522661 809711258 /nfs/dbraw/zinc/71/12/58/809711258.db2.gz QLKSEHHQCFMHBO-UHFFFAOYSA-N 1 2 260.699 3.329 20 30 CGEDLO C=CCn1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001176546674 809714927 /nfs/dbraw/zinc/71/49/27/809714927.db2.gz YERCPNVDPZSXPL-UHFFFAOYSA-N 1 2 279.347 3.058 20 30 CGEDLO CCNc1ccccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC001180136467 809976974 /nfs/dbraw/zinc/97/69/74/809976974.db2.gz CWFHDRCSTDZSGG-CYBMUJFWSA-N 1 2 257.381 3.242 20 30 CGEDLO CCNc1ccccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC001180136467 809976979 /nfs/dbraw/zinc/97/69/79/809976979.db2.gz CWFHDRCSTDZSGG-CYBMUJFWSA-N 1 2 257.381 3.242 20 30 CGEDLO COc1cc(Nc2cc(C#N)ccc2F)[nH+]cc1C ZINC001214595909 815428843 /nfs/dbraw/zinc/42/88/43/815428843.db2.gz CZXXFAALZGLOSA-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO C[C@]12C[N@@H+]([C@@H](C#N)c3ccccc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250744 811487764 /nfs/dbraw/zinc/48/77/64/811487764.db2.gz BUGRQTSJZSGOEK-FLXSYLCISA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@]12C[N@H+]([C@@H](C#N)c3ccccc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250744 811487767 /nfs/dbraw/zinc/48/77/67/811487767.db2.gz BUGRQTSJZSGOEK-FLXSYLCISA-N 1 2 264.372 3.395 20 30 CGEDLO N#Cc1ccc(Nc2cccn3cc[nH+]c23)c(F)c1 ZINC001201561140 811904420 /nfs/dbraw/zinc/90/44/20/811904420.db2.gz QVPUSLYYKWUIRZ-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C#N)cc2F)c[nH+]1 ZINC001201566433 811906794 /nfs/dbraw/zinc/90/67/94/811906794.db2.gz DSDPIEVXEHQHGC-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO CCCCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201804122 811966866 /nfs/dbraw/zinc/96/68/66/811966866.db2.gz BWFKNZCCHXSICF-CYBMUJFWSA-N 1 2 263.372 3.296 20 30 CGEDLO CCCCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201804122 811966872 /nfs/dbraw/zinc/96/68/72/811966872.db2.gz BWFKNZCCHXSICF-CYBMUJFWSA-N 1 2 263.372 3.296 20 30 CGEDLO COc1cc(NC=Cc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC001203302559 812302774 /nfs/dbraw/zinc/30/27/74/812302774.db2.gz UPXMRSVRVQHBPF-BQYQJAHWSA-N 1 2 265.316 3.353 20 30 CGEDLO CNc1ccc(Nc2cc(F)c(C)cc2C#N)c[nH+]1 ZINC001203462230 812369526 /nfs/dbraw/zinc/36/95/26/812369526.db2.gz KYVQMRWZFFQUQA-UHFFFAOYSA-N 1 2 256.284 3.186 20 30 CGEDLO C#CCOc1ccc(Nc2cc(C)c[nH+]c2C)cc1 ZINC001203663493 812420068 /nfs/dbraw/zinc/42/00/68/812420068.db2.gz MNGHWJBFTORSFV-UHFFFAOYSA-N 1 2 252.317 3.454 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)cc1C ZINC001203759612 812456373 /nfs/dbraw/zinc/45/63/73/812456373.db2.gz FZLZKIKEGUGPSQ-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)cc1C ZINC001203759612 812456379 /nfs/dbraw/zinc/45/63/79/812456379.db2.gz FZLZKIKEGUGPSQ-CQSZACIVSA-N 1 2 258.365 3.048 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC001204856831 812756333 /nfs/dbraw/zinc/75/63/33/812756333.db2.gz QQXACJZQWCDDHE-UHFFFAOYSA-N 1 2 272.245 3.190 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccc1F ZINC001205459420 812986268 /nfs/dbraw/zinc/98/62/68/812986268.db2.gz RCXVVFCRHWOSTI-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccc1F ZINC001205459420 812986271 /nfs/dbraw/zinc/98/62/71/812986271.db2.gz RCXVVFCRHWOSTI-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001205840956 813104045 /nfs/dbraw/zinc/10/40/45/813104045.db2.gz NUBIIZZJXHJXKD-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CC[C@@H]1CCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001205908693 813128088 /nfs/dbraw/zinc/12/80/88/813128088.db2.gz XRXAAPUHUKKSQD-CYBMUJFWSA-N 1 2 259.353 3.189 20 30 CGEDLO C#CC[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OC ZINC001206231896 813249399 /nfs/dbraw/zinc/24/93/99/813249399.db2.gz COUBLQNOIDLIKX-VJFUWPCTSA-N 1 2 299.414 3.115 20 30 CGEDLO C=C(C)CO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001206750452 813420504 /nfs/dbraw/zinc/42/05/04/813420504.db2.gz INLQXFJTYXIENT-NSHDSACASA-N 1 2 286.828 3.354 20 30 CGEDLO C=C(C)CO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001206750452 813420506 /nfs/dbraw/zinc/42/05/06/813420506.db2.gz INLQXFJTYXIENT-NSHDSACASA-N 1 2 286.828 3.354 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692771 814113021 /nfs/dbraw/zinc/11/30/21/814113021.db2.gz WCCNBLIOFHFDMK-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692771 814113023 /nfs/dbraw/zinc/11/30/23/814113023.db2.gz WCCNBLIOFHFDMK-NSHDSACASA-N 1 2 257.312 3.043 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2n[nH]c3ccc(Cl)cc32)C1 ZINC001209760033 814133805 /nfs/dbraw/zinc/13/38/05/814133805.db2.gz RYXMZVMPVNHYGO-NSHDSACASA-N 1 2 273.767 3.062 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2n[nH]c3ccc(Cl)cc32)C1 ZINC001209760033 814133810 /nfs/dbraw/zinc/13/38/10/814133810.db2.gz RYXMZVMPVNHYGO-NSHDSACASA-N 1 2 273.767 3.062 20 30 CGEDLO Cc1[nH+]cc(Nc2cnc(C#N)c(C(F)(F)F)c2)cc1N ZINC001210287661 814383051 /nfs/dbraw/zinc/38/30/51/814383051.db2.gz ZCLSEWOOYLFGJX-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO Cc1[nH+]cc(Nc2c(F)cc(C#N)cc2Cl)cc1N ZINC001210289356 814385426 /nfs/dbraw/zinc/38/54/26/814385426.db2.gz HUQVDGKRQSKCGG-UHFFFAOYSA-N 1 2 276.702 3.380 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccccc2Cn2cc[nH+]c2)C1 ZINC001242746734 823121470 /nfs/dbraw/zinc/12/14/70/823121470.db2.gz ZGWOFSDSSQJETB-ZDUSSCGKSA-N 1 2 266.344 3.314 20 30 CGEDLO Cc1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001211327215 814879085 /nfs/dbraw/zinc/87/90/85/814879085.db2.gz OJASQZVAFABYIA-UHFFFAOYSA-N 1 2 268.276 3.222 20 30 CGEDLO C#Cc1cc(Nc2c(F)cc(C)cc2OCC)cc[nH+]1 ZINC001216365069 815799340 /nfs/dbraw/zinc/79/93/40/815799340.db2.gz HXRQDKNWPVFECU-UHFFFAOYSA-N 1 2 270.307 3.075 20 30 CGEDLO CCCCCCCCCCCO[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001217822169 815970776 /nfs/dbraw/zinc/97/07/76/815970776.db2.gz NGFRASPOUNTHPC-HOTGVXAUSA-N 1 2 299.455 3.437 20 30 CGEDLO C#Cc1cccc(C[NH+]2Cc3cc(OC)c(OC)cc3C2)c1 ZINC001231663206 818153757 /nfs/dbraw/zinc/15/37/57/818153757.db2.gz LRNFNQSFIFHUEH-UHFFFAOYSA-N 1 2 293.366 3.201 20 30 CGEDLO SC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC001232574238 818388822 /nfs/dbraw/zinc/38/88/22/818388822.db2.gz ADHKFBBPGYDIQY-UHFFFAOYSA-N 1 2 277.220 3.283 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001232607703 818393604 /nfs/dbraw/zinc/39/36/04/818393604.db2.gz VAVQKZVVLDQNLX-FPMFFAJLSA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001232607703 818393610 /nfs/dbraw/zinc/39/36/10/818393610.db2.gz VAVQKZVVLDQNLX-FPMFFAJLSA-N 1 2 264.731 3.144 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1O ZINC001232674028 818414787 /nfs/dbraw/zinc/41/47/87/818414787.db2.gz PYJOTAYLCPUHBY-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1O ZINC001232674028 818414792 /nfs/dbraw/zinc/41/47/92/818414792.db2.gz PYJOTAYLCPUHBY-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001232674254 818415509 /nfs/dbraw/zinc/41/55/09/818415509.db2.gz UNFOAIFBEFARLO-MRXNPFEDSA-N 1 2 278.355 3.253 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001232674254 818415512 /nfs/dbraw/zinc/41/55/12/818415512.db2.gz UNFOAIFBEFARLO-MRXNPFEDSA-N 1 2 278.355 3.253 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232674171 818415709 /nfs/dbraw/zinc/41/57/09/818415709.db2.gz SJLLLDVNBWHURV-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(C#N)ccc1O)CC2 ZINC001232674171 818415713 /nfs/dbraw/zinc/41/57/13/818415713.db2.gz SJLLLDVNBWHURV-UHFFFAOYSA-N 1 2 278.355 3.131 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001232678102 818418178 /nfs/dbraw/zinc/41/81/78/818418178.db2.gz PJNLTDNAFBLFLI-HUUCEWRRSA-N 1 2 270.376 3.276 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001232678102 818418182 /nfs/dbraw/zinc/41/81/82/818418182.db2.gz PJNLTDNAFBLFLI-HUUCEWRRSA-N 1 2 270.376 3.276 20 30 CGEDLO N#Cc1ccc(F)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001232892762 818466858 /nfs/dbraw/zinc/46/68/58/818466858.db2.gz FWWGFCGJOHIJLX-UHFFFAOYSA-N 1 2 258.340 3.463 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCc3sccc3C2)c(C#N)c1 ZINC001232963338 818484398 /nfs/dbraw/zinc/48/43/98/818484398.db2.gz FCODPGYYAQNTIU-UHFFFAOYSA-N 1 2 268.385 3.487 20 30 CGEDLO Cc1ccc(C[N@H+]2CCc3sccc3C2)c(C#N)c1 ZINC001232963338 818484403 /nfs/dbraw/zinc/48/44/03/818484403.db2.gz FCODPGYYAQNTIU-UHFFFAOYSA-N 1 2 268.385 3.487 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl ZINC001234509276 818870232 /nfs/dbraw/zinc/87/02/32/818870232.db2.gz JJIQKTHPHPCCIF-MLBQELRYSA-N 1 2 296.842 3.040 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl ZINC001234509276 818870237 /nfs/dbraw/zinc/87/02/37/818870237.db2.gz JJIQKTHPHPCCIF-MLBQELRYSA-N 1 2 296.842 3.040 20 30 CGEDLO C#CC[N@@H+](C)Cc1cccc(Br)c1Cl ZINC001235603548 819125013 /nfs/dbraw/zinc/12/50/13/819125013.db2.gz IWCUPXFUBPOPFF-UHFFFAOYSA-N 1 2 272.573 3.168 20 30 CGEDLO C#CC[N@H+](C)Cc1cccc(Br)c1Cl ZINC001235603548 819125016 /nfs/dbraw/zinc/12/50/16/819125016.db2.gz IWCUPXFUBPOPFF-UHFFFAOYSA-N 1 2 272.573 3.168 20 30 CGEDLO Cc1cc2c[nH+]c(-c3ccc(C4(C#N)CC4)cc3)nc2[nH]1 ZINC001243421166 823400429 /nfs/dbraw/zinc/40/04/29/823400429.db2.gz YOKPFDYBFIPFQD-UHFFFAOYSA-N 1 2 274.327 3.440 20 30 CGEDLO N#Cc1ccc(-c2ccc(-c3ccc(N)[nH+]c3)cc2)o1 ZINC001236312953 819419535 /nfs/dbraw/zinc/41/95/35/819419535.db2.gz DBKSVOCHDAPLKT-UHFFFAOYSA-N 1 2 261.284 3.462 20 30 CGEDLO CC(C)(C)C(=O)Nc1ccccc1C[NH+]1CC(CC#N)C1 ZINC001237395449 819743729 /nfs/dbraw/zinc/74/37/29/819743729.db2.gz IYRHALBQWWVVSZ-UHFFFAOYSA-N 1 2 285.391 3.017 20 30 CGEDLO Cc1coc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)n1 ZINC001237636293 819795251 /nfs/dbraw/zinc/79/52/51/819795251.db2.gz XIANVNIUHPQBHQ-UHFFFAOYSA-N 1 2 281.359 3.040 20 30 CGEDLO Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237733716 819824191 /nfs/dbraw/zinc/82/41/91/819824191.db2.gz GBZNNUBLFNUHMN-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237733716 819824195 /nfs/dbraw/zinc/82/41/95/819824195.db2.gz GBZNNUBLFNUHMN-AWEZNQCLSA-N 1 2 293.819 3.423 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1F ZINC001237746437 819834338 /nfs/dbraw/zinc/83/43/38/819834338.db2.gz NEYCYBPVQCXUSZ-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1F ZINC001237746437 819834343 /nfs/dbraw/zinc/83/43/43/819834343.db2.gz NEYCYBPVQCXUSZ-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO CC(C)Oc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cnc1F ZINC001238599795 820055481 /nfs/dbraw/zinc/05/54/81/820055481.db2.gz JEQUPZSNBSNHHT-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO CC(C)Oc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cnc1F ZINC001238599795 820055487 /nfs/dbraw/zinc/05/54/87/820055487.db2.gz JEQUPZSNBSNHHT-ZDUSSCGKSA-N 1 2 291.370 3.134 20 30 CGEDLO Cc1cnc(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001238624968 820066969 /nfs/dbraw/zinc/06/69/69/820066969.db2.gz NQPDYTOHRFTYQB-HNNXBMFYSA-N 1 2 277.371 3.403 20 30 CGEDLO Cc1cnc(-c2ccccc2)c(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001238624968 820066976 /nfs/dbraw/zinc/06/69/76/820066976.db2.gz NQPDYTOHRFTYQB-HNNXBMFYSA-N 1 2 277.371 3.403 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238707989 820093032 /nfs/dbraw/zinc/09/30/32/820093032.db2.gz SJZGWFWXJHTDAN-UHFFFAOYSA-N 1 2 275.371 3.161 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238707989 820093039 /nfs/dbraw/zinc/09/30/39/820093039.db2.gz SJZGWFWXJHTDAN-UHFFFAOYSA-N 1 2 275.371 3.161 20 30 CGEDLO Cc1cn2cc(-c3cc(F)c(C#N)c(F)c3)ccc2[nH+]1 ZINC001239920603 820699078 /nfs/dbraw/zinc/69/90/78/820699078.db2.gz KRCXPBGZVPMHBB-UHFFFAOYSA-N 1 2 269.254 3.460 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2ccc(C#N)nc2)c1 ZINC001241434149 821827036 /nfs/dbraw/zinc/82/70/36/821827036.db2.gz GFWVJAOMSIAKCH-UHFFFAOYSA-N 1 2 260.300 3.021 20 30 CGEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1cncc(C#N)c1 ZINC001242272371 822932953 /nfs/dbraw/zinc/93/29/53/822932953.db2.gz BRBJLPHPAAFPSQ-UHFFFAOYSA-N 1 2 278.359 3.314 20 30 CGEDLO CN(C)c1cccc(Cl)c1C=[NH+]Nc1ccnc(F)c1 ZINC001342046325 936457706 /nfs/dbraw/zinc/45/77/06/936457706.db2.gz OQKILIJFYSFECC-UHFFFAOYSA-N 1 2 292.745 3.386 20 30 CGEDLO C=CCC1(COC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001345521904 936813609 /nfs/dbraw/zinc/81/36/09/936813609.db2.gz PRBNPELEIFBCMA-UHFFFAOYSA-N 1 2 288.391 3.052 20 30 CGEDLO CC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1cccc(C#N)c1O ZINC001350977108 937005113 /nfs/dbraw/zinc/00/51/13/937005113.db2.gz YDCLFZQPIDPLLY-GHYVTOPFSA-N 1 2 292.329 3.348 20 30 CGEDLO CN(C)c1nc(N[C@H]2CC[C@H](C#N)CC2)[nH+]c2ccccc21 ZINC001167841939 927029330 /nfs/dbraw/zinc/02/93/30/927029330.db2.gz APLCESRAGPQOSZ-JOCQHMNTSA-N 1 2 295.390 3.190 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](C)CCCCC)C1 ZINC001483882131 927640697 /nfs/dbraw/zinc/64/06/97/927640697.db2.gz XMTGZPWXPSNLON-OAHLLOKOSA-N 1 2 280.456 3.312 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001365292562 937234998 /nfs/dbraw/zinc/23/49/98/937234998.db2.gz JQEOLXMNVOBPQA-GFCCVEGCSA-N 1 2 281.359 3.064 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001365292562 937235002 /nfs/dbraw/zinc/23/50/02/937235002.db2.gz JQEOLXMNVOBPQA-GFCCVEGCSA-N 1 2 281.359 3.064 20 30 CGEDLO C=C(C)C[C@H]([NH2+]CCc1ccc(Cl)cc1)C(=O)OCC ZINC001560987075 937238879 /nfs/dbraw/zinc/23/88/79/937238879.db2.gz PUCQMKDRUUGXLN-HNNXBMFYSA-N 1 2 295.810 3.370 20 30 CGEDLO C=CCCC1(CNc2[nH+]cnc3c2cnn3C)CCCC1 ZINC001458486248 937465005 /nfs/dbraw/zinc/46/50/05/937465005.db2.gz ZTVGNJRBRPVIGB-UHFFFAOYSA-N 1 2 285.395 3.302 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364826 937528421 /nfs/dbraw/zinc/52/84/21/937528421.db2.gz UHBZBCYWTHJKOP-CZUORRHYSA-N 1 2 291.366 3.328 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(F)cc2)C1 ZINC001460364826 937528424 /nfs/dbraw/zinc/52/84/24/937528424.db2.gz UHBZBCYWTHJKOP-CZUORRHYSA-N 1 2 291.366 3.328 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NCc1nnc2cc(C)ccn21 ZINC001162695214 931990737 /nfs/dbraw/zinc/99/07/37/931990737.db2.gz GAGIMWCTVIKFQI-UHFFFAOYSA-N 1 2 293.374 3.082 20 30 CGEDLO Cc1c[nH+]c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c(C)c1 ZINC001211328250 932011656 /nfs/dbraw/zinc/01/16/56/932011656.db2.gz AQKMVZVVNQMDMT-UHFFFAOYSA-N 1 2 268.276 3.222 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)s1 ZINC001461589109 937587497 /nfs/dbraw/zinc/58/74/97/937587497.db2.gz NQHZHZFDWPCZTO-UHFFFAOYSA-N 1 2 296.754 3.408 20 30 CGEDLO C#C[C@H](CCCC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954319 932509989 /nfs/dbraw/zinc/50/99/89/932509989.db2.gz NIYYDGWDFFEORJ-OAHLLOKOSA-N 1 2 254.333 3.443 20 30 CGEDLO C[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)C ZINC001462029605 937613539 /nfs/dbraw/zinc/61/35/39/937613539.db2.gz QUOLYDCRIFZYCV-SJLPKXTDSA-N 1 2 299.462 3.379 20 30 CGEDLO C[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)C ZINC001462029605 937613540 /nfs/dbraw/zinc/61/35/40/937613540.db2.gz QUOLYDCRIFZYCV-SJLPKXTDSA-N 1 2 299.462 3.379 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccc(Cl)cc1F ZINC001462226712 937627131 /nfs/dbraw/zinc/62/71/31/937627131.db2.gz RZGUXBKKSGQSGK-CQSZACIVSA-N 1 2 290.725 3.044 20 30 CGEDLO C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306753187 932884908 /nfs/dbraw/zinc/88/49/08/932884908.db2.gz BXODFAIXWNEAQH-ZDUSSCGKSA-N 1 2 283.375 3.262 20 30 CGEDLO C=CC(C)(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306753186 932885407 /nfs/dbraw/zinc/88/54/07/932885407.db2.gz BXODFAIXWNEAQH-CYBMUJFWSA-N 1 2 283.375 3.262 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001307800385 933001882 /nfs/dbraw/zinc/00/18/82/933001882.db2.gz VNIRAHRRXDMSNY-DGCLKSJQSA-N 1 2 277.330 3.220 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001307800385 933001888 /nfs/dbraw/zinc/00/18/88/933001888.db2.gz VNIRAHRRXDMSNY-DGCLKSJQSA-N 1 2 277.330 3.220 20 30 CGEDLO CCCCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC001307958843 933027005 /nfs/dbraw/zinc/02/70/05/933027005.db2.gz XBFBJFWAHWVOKP-ZDUSSCGKSA-N 1 2 250.390 3.302 20 30 CGEDLO CCCCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC001307958843 933027010 /nfs/dbraw/zinc/02/70/10/933027010.db2.gz XBFBJFWAHWVOKP-ZDUSSCGKSA-N 1 2 250.390 3.302 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(CCCC)c1Cl ZINC001308282820 933086949 /nfs/dbraw/zinc/08/69/49/933086949.db2.gz OBXOLAMJVYGOTD-UHFFFAOYSA-N 1 2 276.211 3.487 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1nc2ccccc2s1 ZINC001323795712 934425677 /nfs/dbraw/zinc/42/56/77/934425677.db2.gz AXFJFRMGGVYUNE-SNVBAGLBSA-N 1 2 257.362 3.251 20 30 CGEDLO C=CCn1cnn(C[NH+]2CCC(C)(C3CC3)CC2)c1=S ZINC001323948689 934441114 /nfs/dbraw/zinc/44/11/14/934441114.db2.gz MIPYHSYPFWICRK-UHFFFAOYSA-N 1 2 292.452 3.070 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC001473137244 937794089 /nfs/dbraw/zinc/79/40/89/937794089.db2.gz RXOPOCFRRVFEHV-HNNXBMFYSA-N 1 2 267.376 3.106 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC001473137244 937794090 /nfs/dbraw/zinc/79/40/90/937794090.db2.gz RXOPOCFRRVFEHV-HNNXBMFYSA-N 1 2 267.376 3.106 20 30 CGEDLO C=CCCC[NH2+][C@@H](Cc1cccc(Cl)c1)C(=O)OCC ZINC001473700257 937817959 /nfs/dbraw/zinc/81/79/59/937817959.db2.gz MYLAZAFRDSGJHG-HNNXBMFYSA-N 1 2 295.810 3.370 20 30 CGEDLO C=CC[C@@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OCC ZINC001331669118 935402110 /nfs/dbraw/zinc/40/21/10/935402110.db2.gz CEDUSDLVKOPFFY-GDBMZVCRSA-N 1 2 275.392 3.196 20 30 CGEDLO C#C[C@H]([NH2+]Cc1nc(C)c(C(C)(C)C)s1)[C@@H]1CCCO1 ZINC001332897640 935496451 /nfs/dbraw/zinc/49/64/51/935496451.db2.gz NMJVFLCXDFAXQN-STQMWFEESA-N 1 2 292.448 3.019 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@H+](CCCC(F)(F)F)CCO2)cc1 ZINC001333746118 936062197 /nfs/dbraw/zinc/06/21/97/936062197.db2.gz BWQAGVXDOGRIAF-CQSZACIVSA-N 1 2 298.308 3.274 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@@H+](CCCC(F)(F)F)CCO2)cc1 ZINC001333746118 936062201 /nfs/dbraw/zinc/06/22/01/936062201.db2.gz BWQAGVXDOGRIAF-CQSZACIVSA-N 1 2 298.308 3.274 20 30 CGEDLO C(=[NH+]NC1CCSCC1)c1ccc(N2CCCCC2)o1 ZINC001336992907 936231122 /nfs/dbraw/zinc/23/11/22/936231122.db2.gz OTMVLFAFJNQCRZ-UHFFFAOYSA-N 1 2 293.436 3.089 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337359517 936252899 /nfs/dbraw/zinc/25/28/99/936252899.db2.gz ZQKAOBASZIEPHB-INIZCTEOSA-N 1 2 283.375 3.097 20 30 CGEDLO N#Cc1cccc(Cl)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001337724902 936283279 /nfs/dbraw/zinc/28/32/79/936283279.db2.gz MRPPSSAWXAUAQY-UHFFFAOYSA-N 1 2 286.766 3.319 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(OC)s1)c1ccc(Cl)cc1 ZINC001474556423 937866895 /nfs/dbraw/zinc/86/68/95/937866895.db2.gz KNRRWHPOCKIVIY-ZDUSSCGKSA-N 1 2 292.791 3.269 20 30 CGEDLO Cc1cc(NCc2cccc(F)c2C#N)c[nH+]c1C ZINC001474685468 937875474 /nfs/dbraw/zinc/87/54/74/937875474.db2.gz ZVFKIUDGPITIOX-UHFFFAOYSA-N 1 2 255.296 3.321 20 30 CGEDLO C=C(CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC001478771061 937910569 /nfs/dbraw/zinc/91/05/69/937910569.db2.gz IEEYAUSTZWQDMH-UHFFFAOYSA-N 1 2 295.386 3.211 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001506744670 937991618 /nfs/dbraw/zinc/99/16/18/937991618.db2.gz QLXOZHKLTNLNDG-ZDUSSCGKSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001506744670 937991619 /nfs/dbraw/zinc/99/16/19/937991619.db2.gz QLXOZHKLTNLNDG-ZDUSSCGKSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001521244904 938030798 /nfs/dbraw/zinc/03/07/98/938030798.db2.gz VZKJCUNJIRRBEO-INIZCTEOSA-N 1 2 295.386 3.086 20 30 CGEDLO C=C[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001521244904 938030799 /nfs/dbraw/zinc/03/07/99/938030799.db2.gz VZKJCUNJIRRBEO-INIZCTEOSA-N 1 2 295.386 3.086 20 30 CGEDLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc(C)c1C#N ZINC001533109701 938089142 /nfs/dbraw/zinc/08/91/42/938089142.db2.gz STHMCNNLPNTWNP-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO CNc1ccc(Nc2cc(C(F)(F)F)cc(C#N)n2)c[nH+]1 ZINC001559141970 938221007 /nfs/dbraw/zinc/22/10/07/938221007.db2.gz QGCCJJCUWSEGDA-UHFFFAOYSA-N 1 2 293.252 3.152 20 30 CGEDLO C#Cc1cccc(CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC001559211082 938222550 /nfs/dbraw/zinc/22/25/50/938222550.db2.gz KKHZKSQSLGEHCT-UHFFFAOYSA-N 1 2 277.371 3.257 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001560210076 938247342 /nfs/dbraw/zinc/24/73/42/938247342.db2.gz IUHCYZLUCACQSK-KRWDZBQOSA-N 1 2 298.430 3.410 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001560210076 938247343 /nfs/dbraw/zinc/24/73/43/938247343.db2.gz IUHCYZLUCACQSK-KRWDZBQOSA-N 1 2 298.430 3.410 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001560209640 938247407 /nfs/dbraw/zinc/24/74/07/938247407.db2.gz UBWYDHIWWSRRGU-INIZCTEOSA-N 1 2 296.370 3.338 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(OC)c2)n1 ZINC001560209640 938247408 /nfs/dbraw/zinc/24/74/08/938247408.db2.gz UBWYDHIWWSRRGU-INIZCTEOSA-N 1 2 296.370 3.338 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OC ZINC001560967325 938286866 /nfs/dbraw/zinc/28/68/66/938286866.db2.gz DPSFRDKLGGKEOG-GDBMZVCRSA-N 1 2 275.392 3.023 20 30 CGEDLO Cc1nc(NC23CCC(C#N)(CC2)CC3)c2c([nH+]1)CCC2 ZINC001158785394 958832313 /nfs/dbraw/zinc/83/23/13/958832313.db2.gz URLLZVYFIXRCOJ-UHFFFAOYSA-N 1 2 282.391 3.302 20 30 CGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001569461689 961770797 /nfs/dbraw/zinc/77/07/97/961770797.db2.gz GPFIKEZFIPJBFV-HRCADAONSA-N 1 2 296.430 3.156 20 30 CGEDLO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001569461689 961770809 /nfs/dbraw/zinc/77/08/09/961770809.db2.gz GPFIKEZFIPJBFV-HRCADAONSA-N 1 2 296.430 3.156 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000124676757 187148418 /nfs/dbraw/zinc/14/84/18/187148418.db2.gz QMNFDMOFAPWRLV-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000124676757 187148419 /nfs/dbraw/zinc/14/84/19/187148419.db2.gz QMNFDMOFAPWRLV-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C[N@H+](Cc1ccsc1)Cc1cccc(F)c1C#N ZINC000589982953 346820130 /nfs/dbraw/zinc/82/01/30/346820130.db2.gz AZNBYSKZYNRVRH-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccsc1)Cc1cccc(F)c1C#N ZINC000589982953 346820131 /nfs/dbraw/zinc/82/01/31/346820131.db2.gz AZNBYSKZYNRVRH-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C(=O)OCC ZINC000590661538 346861144 /nfs/dbraw/zinc/86/11/44/346861144.db2.gz ORWISGANPQIWAP-INIZCTEOSA-N 1 2 286.375 3.155 20 30 CGEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1nnc2ccccn21 ZINC000591016415 346894246 /nfs/dbraw/zinc/89/42/46/346894246.db2.gz NMNVDINKQQWAQF-UHFFFAOYSA-N 1 2 297.406 3.025 20 30 CGEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1nnc2ccccn21 ZINC000591016415 346894251 /nfs/dbraw/zinc/89/42/51/346894251.db2.gz NMNVDINKQQWAQF-UHFFFAOYSA-N 1 2 297.406 3.025 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1ccncc1C#N)c1nc(C)cs1 ZINC000592083898 346961471 /nfs/dbraw/zinc/96/14/71/346961471.db2.gz RWFJWFAQNOFYKF-OAHLLOKOSA-N 1 2 286.404 3.133 20 30 CGEDLO C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151041 346967894 /nfs/dbraw/zinc/96/78/94/346967894.db2.gz JOQGPBOTHHRZNI-YGRLFVJLSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151041 346967896 /nfs/dbraw/zinc/96/78/96/346967896.db2.gz JOQGPBOTHHRZNI-YGRLFVJLSA-N 1 2 299.201 3.405 20 30 CGEDLO Cc1nnsc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000593013434 347027092 /nfs/dbraw/zinc/02/70/92/347027092.db2.gz MOJRFYOWTGMNOX-HUUCEWRRSA-N 1 2 298.415 3.118 20 30 CGEDLO Cc1nnsc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000593013434 347027094 /nfs/dbraw/zinc/02/70/94/347027094.db2.gz MOJRFYOWTGMNOX-HUUCEWRRSA-N 1 2 298.415 3.118 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C2(CCC2)CO1 ZINC000593093857 347038117 /nfs/dbraw/zinc/03/81/17/347038117.db2.gz VTUBIGIJAPSZOH-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C2(CCC2)CO1 ZINC000593093857 347038118 /nfs/dbraw/zinc/03/81/18/347038118.db2.gz VTUBIGIJAPSZOH-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc3c2CCC3)c1 ZINC000593220014 347053391 /nfs/dbraw/zinc/05/33/91/347053391.db2.gz DADNDMNVXHRWGN-UHFFFAOYSA-N 1 2 263.344 3.248 20 30 CGEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCCC#N)CC1 ZINC000051538284 345091360 /nfs/dbraw/zinc/09/13/60/345091360.db2.gz GTASRXOASTZUTH-AWEZNQCLSA-N 1 2 291.826 3.322 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052247774 345100881 /nfs/dbraw/zinc/10/08/81/345100881.db2.gz MARCBGFZVVLJAA-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000052247774 345100882 /nfs/dbraw/zinc/10/08/82/345100882.db2.gz MARCBGFZVVLJAA-CQSZACIVSA-N 1 2 251.757 3.289 20 30 CGEDLO N#Cc1ccccc1OCCSc1[nH+]cc2ccccn21 ZINC000060427142 345216861 /nfs/dbraw/zinc/21/68/61/345216861.db2.gz SOGOUPKNYNJAGY-UHFFFAOYSA-N 1 2 295.367 3.377 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000128061281 232190527 /nfs/dbraw/zinc/19/05/27/232190527.db2.gz RXCSMOKJNHPOSC-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000128061281 232190528 /nfs/dbraw/zinc/19/05/28/232190528.db2.gz RXCSMOKJNHPOSC-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000070925999 345398150 /nfs/dbraw/zinc/39/81/50/345398150.db2.gz OPNVXODIFWFVHI-CYBMUJFWSA-N 1 2 269.348 3.472 20 30 CGEDLO N#Cc1c(F)cccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000075722585 345520131 /nfs/dbraw/zinc/52/01/31/345520131.db2.gz RIXUGUAWTRMLEM-UHFFFAOYSA-N 1 2 298.243 3.068 20 30 CGEDLO C=CCCCN(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000076650641 345547138 /nfs/dbraw/zinc/54/71/38/345547138.db2.gz HQCXWZSJXIEPSJ-DHZHZOJOSA-N 1 2 295.386 3.310 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000093091092 345869303 /nfs/dbraw/zinc/86/93/03/345869303.db2.gz LNJVVEPUBBNAKZ-NSHDSACASA-N 1 2 268.307 3.330 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000093091092 345869308 /nfs/dbraw/zinc/86/93/08/345869308.db2.gz LNJVVEPUBBNAKZ-NSHDSACASA-N 1 2 268.307 3.330 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000164665324 346183266 /nfs/dbraw/zinc/18/32/66/346183266.db2.gz ASGSMQVYHJEPKT-QMMMGPOBSA-N 1 2 287.588 3.352 20 30 CGEDLO Cc1cc(OCC[N@H+](C)CCC#N)ccc1C(C)C ZINC000078645389 260301264 /nfs/dbraw/zinc/30/12/64/260301264.db2.gz WIMLMNRCTWZWHR-UHFFFAOYSA-N 1 2 260.381 3.343 20 30 CGEDLO Cc1cc(OCC[N@@H+](C)CCC#N)ccc1C(C)C ZINC000078645389 260301267 /nfs/dbraw/zinc/30/12/67/260301267.db2.gz WIMLMNRCTWZWHR-UHFFFAOYSA-N 1 2 260.381 3.343 20 30 CGEDLO N#CCC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000334336167 346493720 /nfs/dbraw/zinc/49/37/20/346493720.db2.gz RUXUSVQLIMJXFI-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000403784610 346597659 /nfs/dbraw/zinc/59/76/59/346597659.db2.gz BHXSORPLLBTRGM-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000403784610 346597660 /nfs/dbraw/zinc/59/76/60/346597660.db2.gz BHXSORPLLBTRGM-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000403852484 346598353 /nfs/dbraw/zinc/59/83/53/346598353.db2.gz GTPBCDQSHXRFCB-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000403852484 346598354 /nfs/dbraw/zinc/59/83/54/346598354.db2.gz GTPBCDQSHXRFCB-CABCVRRESA-N 1 2 276.355 3.087 20 30 CGEDLO COc1ccc(CNc2cc(C)c[nH+]c2C)cc1C#N ZINC000404752394 346600643 /nfs/dbraw/zinc/60/06/43/346600643.db2.gz JLFZRMLSNWRQJB-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000446759607 346618093 /nfs/dbraw/zinc/61/80/93/346618093.db2.gz PIOCCDFBFHVSPG-UHFFFAOYSA-N 1 2 262.300 3.312 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C(F)(F)F)s1)C1CC1 ZINC000446759607 346618096 /nfs/dbraw/zinc/61/80/96/346618096.db2.gz PIOCCDFBFHVSPG-UHFFFAOYSA-N 1 2 262.300 3.312 20 30 CGEDLO COc1ccc(C(C)C)cc1C[N@H+](C)C[C@H](C)C#N ZINC000593952150 347122556 /nfs/dbraw/zinc/12/25/56/347122556.db2.gz ONKYBROVQMRDEU-CYBMUJFWSA-N 1 2 260.381 3.410 20 30 CGEDLO COc1ccc(C(C)C)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000593952150 347122558 /nfs/dbraw/zinc/12/25/58/347122558.db2.gz ONKYBROVQMRDEU-CYBMUJFWSA-N 1 2 260.381 3.410 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000594010421 347136537 /nfs/dbraw/zinc/13/65/37/347136537.db2.gz DNVOLICVOXTHQK-NWDGAFQWSA-N 1 2 293.798 3.257 20 30 CGEDLO Cc1ccc2nc(C[NH2+]CC3(C#N)CCCCC3)cn2c1 ZINC000594981136 347248019 /nfs/dbraw/zinc/24/80/19/347248019.db2.gz HMKOLRFFYYEDEU-UHFFFAOYSA-N 1 2 282.391 3.206 20 30 CGEDLO CCC[N@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595302150 347289352 /nfs/dbraw/zinc/28/93/52/347289352.db2.gz RZQAPYIQBAAQCB-UHFFFAOYSA-N 1 2 252.308 3.078 20 30 CGEDLO CCC[N@@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595302150 347289353 /nfs/dbraw/zinc/28/93/53/347289353.db2.gz RZQAPYIQBAAQCB-UHFFFAOYSA-N 1 2 252.308 3.078 20 30 CGEDLO CC[N@@H+](CCC#N)CCSc1ccc(F)cc1F ZINC000595333094 347293928 /nfs/dbraw/zinc/29/39/28/347293928.db2.gz MVYSMWWJYYTCMF-UHFFFAOYSA-N 1 2 270.348 3.292 20 30 CGEDLO CC[N@H+](CCC#N)CCSc1ccc(F)cc1F ZINC000595333094 347293929 /nfs/dbraw/zinc/29/39/29/347293929.db2.gz MVYSMWWJYYTCMF-UHFFFAOYSA-N 1 2 270.348 3.292 20 30 CGEDLO CO[C@@H](C[N@H+](CCC#N)Cc1ccccn1)C1CCCC1 ZINC000595343271 347294764 /nfs/dbraw/zinc/29/47/64/347294764.db2.gz ORHVILMUQDQCDB-KRWDZBQOSA-N 1 2 287.407 3.002 20 30 CGEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)C1CCCC1 ZINC000595343271 347294766 /nfs/dbraw/zinc/29/47/66/347294766.db2.gz ORHVILMUQDQCDB-KRWDZBQOSA-N 1 2 287.407 3.002 20 30 CGEDLO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595623897 347329485 /nfs/dbraw/zinc/32/94/85/347329485.db2.gz XXPFWGFSQMSSHZ-LBPRGKRZSA-N 1 2 261.369 3.098 20 30 CGEDLO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595623897 347329487 /nfs/dbraw/zinc/32/94/87/347329487.db2.gz XXPFWGFSQMSSHZ-LBPRGKRZSA-N 1 2 261.369 3.098 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000595844911 347367236 /nfs/dbraw/zinc/36/72/36/347367236.db2.gz HLKFULZAKOMADR-XHSDSOJGSA-N 1 2 289.350 3.223 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000595844911 347367237 /nfs/dbraw/zinc/36/72/37/347367237.db2.gz HLKFULZAKOMADR-XHSDSOJGSA-N 1 2 289.350 3.223 20 30 CGEDLO Cc1cc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)c(C#N)c[nH+]1 ZINC000596497716 347468857 /nfs/dbraw/zinc/46/88/57/347468857.db2.gz CDRJEFIXWXJVDW-PBHICJAKSA-N 1 2 285.391 3.047 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(C#N)CCCCC1 ZINC000596901070 347518729 /nfs/dbraw/zinc/51/87/29/347518729.db2.gz BZKLZLDFGBXOKX-UHFFFAOYSA-N 1 2 286.379 3.294 20 30 CGEDLO N#CCC1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000597081946 347534043 /nfs/dbraw/zinc/53/40/43/347534043.db2.gz JRNGVWFOHPWHRZ-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597232444 347559727 /nfs/dbraw/zinc/55/97/27/347559727.db2.gz UKSVSEPRGWNZIG-KRWDZBQOSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597232444 347559731 /nfs/dbraw/zinc/55/97/31/347559731.db2.gz UKSVSEPRGWNZIG-KRWDZBQOSA-N 1 2 272.392 3.457 20 30 CGEDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000597245714 347562381 /nfs/dbraw/zinc/56/23/81/347562381.db2.gz NLJCAUYYLIPFGI-UHFFFAOYSA-N 1 2 298.415 3.034 20 30 CGEDLO Cc1nnc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000597245714 347562383 /nfs/dbraw/zinc/56/23/83/347562383.db2.gz NLJCAUYYLIPFGI-UHFFFAOYSA-N 1 2 298.415 3.034 20 30 CGEDLO N#CC1(CC(=O)Nc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000597598122 347583669 /nfs/dbraw/zinc/58/36/69/347583669.db2.gz GGORICXVNAXEPH-UHFFFAOYSA-N 1 2 282.347 3.137 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000597192718 347547339 /nfs/dbraw/zinc/54/73/39/347547339.db2.gz SXWGNZMKYFSSDB-ZENOOKHLSA-N 1 2 291.391 3.100 20 30 CGEDLO N#CCC1C[NH+](Cc2csc(-c3ccccc3)n2)C1 ZINC000597191430 347547811 /nfs/dbraw/zinc/54/78/11/347547811.db2.gz GIEYHEAENNQRJM-UHFFFAOYSA-N 1 2 269.373 3.156 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccccc1C#N ZINC000598648095 347675064 /nfs/dbraw/zinc/67/50/64/347675064.db2.gz HKZZJQHVICAZJS-UHFFFAOYSA-N 1 2 295.386 3.211 20 30 CGEDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccccc1C#N ZINC000598648095 347675065 /nfs/dbraw/zinc/67/50/65/347675065.db2.gz HKZZJQHVICAZJS-UHFFFAOYSA-N 1 2 295.386 3.211 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000599644131 347761674 /nfs/dbraw/zinc/76/16/74/347761674.db2.gz SJHGBMIDSNLDSX-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000599644131 347761676 /nfs/dbraw/zinc/76/16/76/347761676.db2.gz SJHGBMIDSNLDSX-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC000599645257 347761714 /nfs/dbraw/zinc/76/17/14/347761714.db2.gz ZYIZLQZMEFKYRR-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000599645257 347761716 /nfs/dbraw/zinc/76/17/16/347761716.db2.gz ZYIZLQZMEFKYRR-UHFFFAOYSA-N 1 2 270.357 3.144 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(=O)OCC ZINC000600168685 347788275 /nfs/dbraw/zinc/78/82/75/347788275.db2.gz MUOVTHVTQRXOGE-MRXNPFEDSA-N 1 2 286.375 3.155 20 30 CGEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602440084 347958146 /nfs/dbraw/zinc/95/81/46/347958146.db2.gz JDUJWFIICJZXTO-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602440084 347958149 /nfs/dbraw/zinc/95/81/49/347958149.db2.gz JDUJWFIICJZXTO-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](CCC#N)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000602593441 347990180 /nfs/dbraw/zinc/99/01/80/347990180.db2.gz KVNGQZLLTCAGCQ-CQSZACIVSA-N 1 2 272.396 3.424 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602741001 348022403 /nfs/dbraw/zinc/02/24/03/348022403.db2.gz YMPAVNRYEHASMW-RQJABVFESA-N 1 2 293.432 3.338 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CCC[C@H]1C#N ZINC000602974383 348048244 /nfs/dbraw/zinc/04/82/44/348048244.db2.gz NMIIDZPDNAHBFD-GXFFZTMASA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CCC[C@H]1C#N ZINC000602974383 348048250 /nfs/dbraw/zinc/04/82/50/348048250.db2.gz NMIIDZPDNAHBFD-GXFFZTMASA-N 1 2 250.292 3.089 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)cnc21 ZINC000602976921 348049435 /nfs/dbraw/zinc/04/94/35/348049435.db2.gz VIKWPUOMCSWABJ-GOEBONIOSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)cnc21 ZINC000602976921 348049436 /nfs/dbraw/zinc/04/94/36/348049436.db2.gz VIKWPUOMCSWABJ-GOEBONIOSA-N 1 2 297.406 3.136 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993577 348416408 /nfs/dbraw/zinc/41/64/08/348416408.db2.gz YKIZTQODFNHVHJ-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993577 348416412 /nfs/dbraw/zinc/41/64/12/348416412.db2.gz YKIZTQODFNHVHJ-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO COc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)[nH+]c1 ZINC000611475649 348455206 /nfs/dbraw/zinc/45/52/06/348455206.db2.gz RDZVKSOIABFCDJ-JTQLQIEISA-N 1 2 271.295 3.274 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000612161883 348497785 /nfs/dbraw/zinc/49/77/85/348497785.db2.gz GNMQKRATFDQADL-QGZVFWFLSA-N 1 2 283.350 3.500 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000612161883 348497786 /nfs/dbraw/zinc/49/77/86/348497786.db2.gz GNMQKRATFDQADL-QGZVFWFLSA-N 1 2 283.350 3.500 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612167931 348498908 /nfs/dbraw/zinc/49/89/08/348498908.db2.gz ZHPZRQZOSGUPCZ-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612167931 348498910 /nfs/dbraw/zinc/49/89/10/348498910.db2.gz ZHPZRQZOSGUPCZ-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000612166896 348498985 /nfs/dbraw/zinc/49/89/85/348498985.db2.gz YAOYCJBRAUHEFE-QGZVFWFLSA-N 1 2 287.407 3.385 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000612166896 348498989 /nfs/dbraw/zinc/49/89/89/348498989.db2.gz YAOYCJBRAUHEFE-QGZVFWFLSA-N 1 2 287.407 3.385 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612405560 348516923 /nfs/dbraw/zinc/51/69/23/348516923.db2.gz ACDFJXKIKIIARO-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612405560 348516925 /nfs/dbraw/zinc/51/69/25/348516925.db2.gz ACDFJXKIKIIARO-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612406630 348517534 /nfs/dbraw/zinc/51/75/34/348517534.db2.gz QRULMTTVSXBTJH-QGZVFWFLSA-N 1 2 288.391 3.138 20 30 CGEDLO COc1cc(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OC ZINC000612406630 348517536 /nfs/dbraw/zinc/51/75/36/348517536.db2.gz QRULMTTVSXBTJH-QGZVFWFLSA-N 1 2 288.391 3.138 20 30 CGEDLO C[C@@]1(C#N)CCCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000612406785 348517573 /nfs/dbraw/zinc/51/75/73/348517573.db2.gz TXFWSCPPZODBBP-HNNXBMFYSA-N 1 2 288.782 3.113 20 30 CGEDLO CC(C)COC[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccco1 ZINC000612475348 348521955 /nfs/dbraw/zinc/52/19/55/348521955.db2.gz KZEXDCZFHALWOT-INIZCTEOSA-N 1 2 299.374 3.050 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000612586547 348531471 /nfs/dbraw/zinc/53/14/71/348531471.db2.gz CHLGRRUWOGEZST-SNVBAGLBSA-N 1 2 259.740 3.137 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1F ZINC000615230172 348725354 /nfs/dbraw/zinc/72/53/54/348725354.db2.gz BTOMJRMUANQYGJ-YGRLFVJLSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1F ZINC000615230172 348725356 /nfs/dbraw/zinc/72/53/56/348725356.db2.gz BTOMJRMUANQYGJ-YGRLFVJLSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@@]1(C#N)CCCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000614991361 348705926 /nfs/dbraw/zinc/70/59/26/348705926.db2.gz PHRBDKCZFWQWGV-SFHVURJKSA-N 1 2 294.402 3.057 20 30 CGEDLO N#C[C@]1(F)CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000615645569 348754385 /nfs/dbraw/zinc/75/43/85/348754385.db2.gz KKMSCXWMPIXJOW-HTAVTVPLSA-N 1 2 278.293 3.293 20 30 CGEDLO N#C[C@]1(F)CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000615645569 348754387 /nfs/dbraw/zinc/75/43/87/348754387.db2.gz KKMSCXWMPIXJOW-HTAVTVPLSA-N 1 2 278.293 3.293 20 30 CGEDLO CCn1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000616786243 348877329 /nfs/dbraw/zinc/87/73/29/348877329.db2.gz QKFXDQZBMPWFBC-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO CCn1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC000616786243 348877332 /nfs/dbraw/zinc/87/73/32/348877332.db2.gz QKFXDQZBMPWFBC-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO Cc1ccc(COc2ccc(C#N)c(F)c2)c(C)[nH+]1 ZINC000358694397 233179247 /nfs/dbraw/zinc/17/92/47/233179247.db2.gz RRDQVMNBWVEULR-UHFFFAOYSA-N 1 2 256.280 3.288 20 30 CGEDLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)no1 ZINC000619704962 349277159 /nfs/dbraw/zinc/27/71/59/349277159.db2.gz WMVCQWJMZZDUPN-RYUDHWBXSA-N 1 2 255.321 3.267 20 30 CGEDLO C=C[C@@H]([NH2+]C[C@@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)OC ZINC000619704493 349277297 /nfs/dbraw/zinc/27/72/97/349277297.db2.gz NXMMMOYEEIFPKN-RRQGHBQHSA-N 1 2 287.403 3.231 20 30 CGEDLO C[C@@H](C[N@H+](CCC#N)Cc1ccccn1)C(C)(C)C ZINC000619844258 349286843 /nfs/dbraw/zinc/28/68/43/349286843.db2.gz IPVWKFZFMNOUSK-AWEZNQCLSA-N 1 2 259.397 3.479 20 30 CGEDLO C[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)C(C)(C)C ZINC000619844258 349286846 /nfs/dbraw/zinc/28/68/46/349286846.db2.gz IPVWKFZFMNOUSK-AWEZNQCLSA-N 1 2 259.397 3.479 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000620314476 349356414 /nfs/dbraw/zinc/35/64/14/349356414.db2.gz HITVCUTUUUTBIE-CALCHBBNSA-N 1 2 293.370 3.196 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000620606706 349392129 /nfs/dbraw/zinc/39/21/29/349392129.db2.gz ZCKDCLMJEYLALV-GDBMZVCRSA-N 1 2 297.402 3.347 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632780677 351216692 /nfs/dbraw/zinc/21/66/92/351216692.db2.gz NEYCQQHWAICDDN-HNNXBMFYSA-N 1 2 281.359 3.257 20 30 CGEDLO C=CCCC1(CNC(=O)N(C)Cc2[nH]cc[nH+]2)CCCC1 ZINC000633348056 351282794 /nfs/dbraw/zinc/28/27/94/351282794.db2.gz UPXHZJINGCEUBO-UHFFFAOYSA-N 1 2 290.411 3.078 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000633288246 351275682 /nfs/dbraw/zinc/27/56/82/351275682.db2.gz KYWQOKNZRHNOTD-STQMWFEESA-N 1 2 290.411 3.181 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(F)c1F ZINC000121880019 187002621 /nfs/dbraw/zinc/00/26/21/187002621.db2.gz QOTTXYGDDZRBSQ-VIFPVBQESA-N 1 2 262.259 3.280 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nccn1C(F)F ZINC000122871367 187056539 /nfs/dbraw/zinc/05/65/39/187056539.db2.gz FCEJWSPUJJEUMT-NSHDSACASA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nccn1C(F)F ZINC000122871367 187056540 /nfs/dbraw/zinc/05/65/40/187056540.db2.gz FCEJWSPUJJEUMT-NSHDSACASA-N 1 2 290.317 3.343 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)C1CC1 ZINC000271532082 191195916 /nfs/dbraw/zinc/19/59/16/191195916.db2.gz XHZNARYGQFMNKC-UHFFFAOYSA-N 1 2 299.374 3.204 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)C1CC1 ZINC000271532082 191195918 /nfs/dbraw/zinc/19/59/18/191195918.db2.gz XHZNARYGQFMNKC-UHFFFAOYSA-N 1 2 299.374 3.204 20 30 CGEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C1CC1 ZINC000271532341 191196131 /nfs/dbraw/zinc/19/61/31/191196131.db2.gz XOLXTQGUNSUIKG-UHFFFAOYSA-N 1 2 282.746 3.068 20 30 CGEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C1CC1 ZINC000271532341 191196134 /nfs/dbraw/zinc/19/61/34/191196134.db2.gz XOLXTQGUNSUIKG-UHFFFAOYSA-N 1 2 282.746 3.068 20 30 CGEDLO N#Cc1ccc(Cl)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269865587 283150290 /nfs/dbraw/zinc/15/02/90/283150290.db2.gz KLCGHNTXTZHAMB-CQSZACIVSA-N 1 2 298.777 3.297 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)o1 ZINC000336211948 213034203 /nfs/dbraw/zinc/03/42/03/213034203.db2.gz RZSBBXUORWPBRE-HNNXBMFYSA-N 1 2 268.316 3.471 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)o1 ZINC000336211948 213034205 /nfs/dbraw/zinc/03/42/05/213034205.db2.gz RZSBBXUORWPBRE-HNNXBMFYSA-N 1 2 268.316 3.471 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ncc(C#N)cc1Cl ZINC000294891504 199235422 /nfs/dbraw/zinc/23/54/22/199235422.db2.gz DAUDQFHKLWVRDM-UHFFFAOYSA-N 1 2 286.766 3.355 20 30 CGEDLO N#Cc1ccccc1OCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341753673 216089908 /nfs/dbraw/zinc/08/99/08/216089908.db2.gz IUJLODWQDQBHDU-UHFFFAOYSA-N 1 2 294.345 3.304 20 30 CGEDLO N#Cc1ccccc1OCC[N@H+](CC(F)F)CC1CCC1 ZINC000341753673 216089910 /nfs/dbraw/zinc/08/99/10/216089910.db2.gz IUJLODWQDQBHDU-UHFFFAOYSA-N 1 2 294.345 3.304 20 30 CGEDLO N#Cc1c(Cl)cccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000297574981 200231049 /nfs/dbraw/zinc/23/10/49/200231049.db2.gz SHXINOXVFBUNRC-LBPRGKRZSA-N 1 2 298.777 3.297 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3ccc(F)cc3C#N)CC2)c1 ZINC000341948815 216161907 /nfs/dbraw/zinc/16/19/07/216161907.db2.gz LENVPGULOWIFDX-UHFFFAOYSA-N 1 2 291.329 3.348 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C#N)s1 ZINC000179095174 189169005 /nfs/dbraw/zinc/16/90/05/189169005.db2.gz XQKZXEVEEUAWGI-LLVKDONJSA-N 1 2 257.362 3.174 20 30 CGEDLO Cc1cc(C[NH2+]Cc2noc3c2CCCC3)ccc1C#N ZINC000342326137 216311084 /nfs/dbraw/zinc/31/10/84/216311084.db2.gz SAVVPKMCCQZKGH-UHFFFAOYSA-N 1 2 281.359 3.023 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000120310144 370756868 /nfs/dbraw/zinc/75/68/68/370756868.db2.gz REBBBJMEWKBEOR-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000120310144 370756870 /nfs/dbraw/zinc/75/68/70/370756870.db2.gz REBBBJMEWKBEOR-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO CN(Cc1cccc(C#N)c1)c1[nH+]c2ccccc2n1C ZINC000342711041 216487014 /nfs/dbraw/zinc/48/70/14/216487014.db2.gz UDVDWLDPECVFFJ-UHFFFAOYSA-N 1 2 276.343 3.081 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000026349310 368858564 /nfs/dbraw/zinc/85/85/64/368858564.db2.gz MQEOINGWHNKTNY-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000026349310 368858566 /nfs/dbraw/zinc/85/85/66/368858566.db2.gz MQEOINGWHNKTNY-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(C)C)cc1 ZINC000127617232 370954858 /nfs/dbraw/zinc/95/48/58/370954858.db2.gz KWSACJHGJWQMQX-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(C)C)cc1 ZINC000127617232 370954863 /nfs/dbraw/zinc/95/48/63/370954863.db2.gz KWSACJHGJWQMQX-UHFFFAOYSA-N 1 2 260.381 3.457 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066848485 369707275 /nfs/dbraw/zinc/70/72/75/369707275.db2.gz GYPZOFHUODREDF-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000066848485 369707276 /nfs/dbraw/zinc/70/72/76/369707276.db2.gz GYPZOFHUODREDF-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1C#N ZINC000091892456 370076080 /nfs/dbraw/zinc/07/60/80/370076080.db2.gz ZVCNFKHACPCDSX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1C#N ZINC000091892456 370076082 /nfs/dbraw/zinc/07/60/82/370076082.db2.gz ZVCNFKHACPCDSX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1Cl ZINC000091800574 370076154 /nfs/dbraw/zinc/07/61/54/370076154.db2.gz FWNGAYATZNPGBM-LBPRGKRZSA-N 1 2 281.783 3.126 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1Cl ZINC000091800574 370076158 /nfs/dbraw/zinc/07/61/58/370076158.db2.gz FWNGAYATZNPGBM-LBPRGKRZSA-N 1 2 281.783 3.126 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)cc1OC(F)F)C[C@@H](C)C#N ZINC000091982703 370082929 /nfs/dbraw/zinc/08/29/29/370082929.db2.gz CLZHYZUZKOUANE-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)cc1OC(F)F)C[C@@H](C)C#N ZINC000091982703 370082937 /nfs/dbraw/zinc/08/29/37/370082937.db2.gz CLZHYZUZKOUANE-NSHDSACASA-N 1 2 298.333 3.278 20 30 CGEDLO Cc1ccc(NC(=O)C2(C#N)CCCCC2)c(C)[nH+]1 ZINC000094666158 370168233 /nfs/dbraw/zinc/16/82/33/370168233.db2.gz NBHHXKDEGRXNIJ-UHFFFAOYSA-N 1 2 257.337 3.111 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102681415 370308216 /nfs/dbraw/zinc/30/82/16/370308216.db2.gz FOACEAHQVHTLSW-CYBMUJFWSA-N 1 2 290.407 3.303 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102681415 370308221 /nfs/dbraw/zinc/30/82/21/370308221.db2.gz FOACEAHQVHTLSW-CYBMUJFWSA-N 1 2 290.407 3.303 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CCC[C@@H](SC)C2)c1O ZINC000117107631 370577477 /nfs/dbraw/zinc/57/74/77/370577477.db2.gz GQWRYGMQFZXRJA-VYBIZCNCSA-N 1 2 279.405 3.494 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133903772 371287232 /nfs/dbraw/zinc/28/72/32/371287232.db2.gz FAFRYNSIXALENO-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000133903772 371287235 /nfs/dbraw/zinc/28/72/35/371287235.db2.gz FAFRYNSIXALENO-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000134101452 371303355 /nfs/dbraw/zinc/30/33/55/371303355.db2.gz RSFDAJZGVGTRKI-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000134101452 371303359 /nfs/dbraw/zinc/30/33/59/371303359.db2.gz RSFDAJZGVGTRKI-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000135380800 371420674 /nfs/dbraw/zinc/42/06/74/371420674.db2.gz DTFFPRFUYXJERH-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(Cl)cc3)n2c1 ZINC000135847780 371452087 /nfs/dbraw/zinc/45/20/87/371452087.db2.gz SMFOUDOPWIRPJN-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO Cn1cc[nH+]c1CSc1ccc(C#N)cc1Cl ZINC000150925366 371549796 /nfs/dbraw/zinc/54/97/96/371549796.db2.gz WCKVRSLEMXTEKA-UHFFFAOYSA-N 1 2 263.753 3.237 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000424604483 372087344 /nfs/dbraw/zinc/08/73/44/372087344.db2.gz NODAOIAMXDGVEK-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO Cc1ccc(O)c(C[N@H+](CCC#N)Cc2cccnc2)c1 ZINC000159065872 372103653 /nfs/dbraw/zinc/10/36/53/372103653.db2.gz ARRVDDKBULLNEP-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)Cc2cccnc2)c1 ZINC000159065872 372103658 /nfs/dbraw/zinc/10/36/58/372103658.db2.gz ARRVDDKBULLNEP-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc2O1 ZINC000429161525 372320574 /nfs/dbraw/zinc/32/05/74/372320574.db2.gz QNUHLPOWKMIDNN-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc2O1 ZINC000429161525 372320575 /nfs/dbraw/zinc/32/05/75/372320575.db2.gz QNUHLPOWKMIDNN-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C#CC[N@@H+](Cc1c(C)onc1CC)Cc1ccc(F)cc1 ZINC000163178790 372450835 /nfs/dbraw/zinc/45/08/35/372450835.db2.gz RPNPCOFOASVNGU-UHFFFAOYSA-N 1 2 286.350 3.320 20 30 CGEDLO C#CC[N@H+](Cc1c(C)onc1CC)Cc1ccc(F)cc1 ZINC000163178790 372450839 /nfs/dbraw/zinc/45/08/39/372450839.db2.gz RPNPCOFOASVNGU-UHFFFAOYSA-N 1 2 286.350 3.320 20 30 CGEDLO COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000168915411 372623813 /nfs/dbraw/zinc/62/38/13/372623813.db2.gz XIJWIGGOIIVCGB-ZWNOBZJWSA-N 1 2 264.756 3.130 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cscn1 ZINC000171065041 372707774 /nfs/dbraw/zinc/70/77/74/372707774.db2.gz GLDJWFWVAIELNK-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cscn1 ZINC000171065041 372707782 /nfs/dbraw/zinc/70/77/82/372707782.db2.gz GLDJWFWVAIELNK-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000439448039 372978957 /nfs/dbraw/zinc/97/89/57/372978957.db2.gz ZGNGBVUNSQOKKG-ZFWWWQNUSA-N 1 2 270.380 3.229 20 30 CGEDLO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000173583918 373161527 /nfs/dbraw/zinc/16/15/27/373161527.db2.gz LCSVCINMWVUAES-UHFFFAOYSA-N 1 2 269.348 3.265 20 30 CGEDLO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000173583918 373161543 /nfs/dbraw/zinc/16/15/43/373161543.db2.gz LCSVCINMWVUAES-UHFFFAOYSA-N 1 2 269.348 3.265 20 30 CGEDLO C=CC[C@H]1[N@H+](Cc2nsc(N(C)C)n2)CCCC1(C)C ZINC000444790699 373277605 /nfs/dbraw/zinc/27/76/05/373277605.db2.gz KDIVNSNFTSUURN-GFCCVEGCSA-N 1 2 294.468 3.171 20 30 CGEDLO C=CC[C@H]1[N@@H+](Cc2nsc(N(C)C)n2)CCCC1(C)C ZINC000444790699 373277612 /nfs/dbraw/zinc/27/76/12/373277612.db2.gz KDIVNSNFTSUURN-GFCCVEGCSA-N 1 2 294.468 3.171 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000447851885 373508843 /nfs/dbraw/zinc/50/88/43/373508843.db2.gz WGCBGNGYPBFHAN-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000447851885 373508851 /nfs/dbraw/zinc/50/88/51/373508851.db2.gz WGCBGNGYPBFHAN-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000175994887 373545809 /nfs/dbraw/zinc/54/58/09/373545809.db2.gz FMRKOVNZUDVCPE-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000175994887 373545820 /nfs/dbraw/zinc/54/58/20/373545820.db2.gz FMRKOVNZUDVCPE-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC1(C#N)CCC1 ZINC000450752429 374176722 /nfs/dbraw/zinc/17/67/22/374176722.db2.gz GRZQGXCSTYTLCJ-UHFFFAOYSA-N 1 2 282.391 3.092 20 30 CGEDLO COC(=O)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)o1 ZINC000181937731 374192411 /nfs/dbraw/zinc/19/24/11/374192411.db2.gz KDRUGIJRBHUKRE-HNNXBMFYSA-N 1 2 298.342 3.201 20 30 CGEDLO C[C@@H]1CCN(C(=O)NCCC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000330996387 374496432 /nfs/dbraw/zinc/49/64/32/374496432.db2.gz ZZURGVGSPBBMOQ-ZIAGYGMSSA-N 1 2 292.427 3.116 20 30 CGEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2cccc(C#N)c2)no1 ZINC000186428518 374848266 /nfs/dbraw/zinc/84/82/66/374848266.db2.gz CZRSIAFENLUHJP-UHFFFAOYSA-N 1 2 299.374 3.151 20 30 CGEDLO C=C(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000470905370 375001721 /nfs/dbraw/zinc/00/17/21/375001721.db2.gz GJCPAMUBFXCLMG-UHFFFAOYSA-N 1 2 275.392 3.406 20 30 CGEDLO C=C(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000470905370 375001723 /nfs/dbraw/zinc/00/17/23/375001723.db2.gz GJCPAMUBFXCLMG-UHFFFAOYSA-N 1 2 275.392 3.406 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(Cl)n1C ZINC000187717914 375079380 /nfs/dbraw/zinc/07/93/80/375079380.db2.gz LZEXHFXXQPXZDC-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000187717914 375079387 /nfs/dbraw/zinc/07/93/87/375079387.db2.gz LZEXHFXXQPXZDC-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C=CCCC[C@H](C)[NH2+][C@H](Cc1ccc(C)cc1)C(=O)OC ZINC000481567465 375165614 /nfs/dbraw/zinc/16/56/14/375165614.db2.gz JSWBPEIYQNRBGM-DOTOQJQBSA-N 1 2 289.419 3.414 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000491287799 375325733 /nfs/dbraw/zinc/32/57/33/375325733.db2.gz OERPYAFNZITVOV-ZDUSSCGKSA-N 1 2 270.401 3.187 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000491287799 375325739 /nfs/dbraw/zinc/32/57/39/375325739.db2.gz OERPYAFNZITVOV-ZDUSSCGKSA-N 1 2 270.401 3.187 20 30 CGEDLO Cc1ccc(NC(=O)N2CCC(CCC#N)CC2)c(C)[nH+]1 ZINC000335391534 375269880 /nfs/dbraw/zinc/26/98/80/375269880.db2.gz YEBRIAMJZXKFQF-UHFFFAOYSA-N 1 2 286.379 3.246 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000491627678 375337750 /nfs/dbraw/zinc/33/77/50/375337750.db2.gz MLXSGKWORANYOD-SNVBAGLBSA-N 1 2 260.362 3.165 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000491627678 375337754 /nfs/dbraw/zinc/33/77/54/375337754.db2.gz MLXSGKWORANYOD-SNVBAGLBSA-N 1 2 260.362 3.165 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000335773933 375418450 /nfs/dbraw/zinc/41/84/50/375418450.db2.gz PCRWLEUMJZCAKB-HNNXBMFYSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000335773933 375418459 /nfs/dbraw/zinc/41/84/59/375418459.db2.gz PCRWLEUMJZCAKB-HNNXBMFYSA-N 1 2 286.766 3.272 20 30 CGEDLO CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1F ZINC000494944994 375495478 /nfs/dbraw/zinc/49/54/78/375495478.db2.gz FEDSDUYATBSXGM-GFCCVEGCSA-N 1 2 276.355 3.348 20 30 CGEDLO CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1F ZINC000494944994 375495484 /nfs/dbraw/zinc/49/54/84/375495484.db2.gz FEDSDUYATBSXGM-GFCCVEGCSA-N 1 2 276.355 3.348 20 30 CGEDLO N#CC1(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000335872498 375501866 /nfs/dbraw/zinc/50/18/66/375501866.db2.gz ZRQOLOWZXGIIBA-LLVKDONJSA-N 1 2 262.303 3.058 20 30 CGEDLO N#CC1(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000335872498 375501875 /nfs/dbraw/zinc/50/18/75/375501875.db2.gz ZRQOLOWZXGIIBA-LLVKDONJSA-N 1 2 262.303 3.058 20 30 CGEDLO N#Cc1cc(Cl)ccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336077033 375667849 /nfs/dbraw/zinc/66/78/49/375667849.db2.gz IMWIFRQBIPSXSH-AWEZNQCLSA-N 1 2 286.766 3.272 20 30 CGEDLO C=CCCCCNc1ccccc1C[NH+]1CCOCC1 ZINC000519805694 375851084 /nfs/dbraw/zinc/85/10/84/375851084.db2.gz DTYMXKVVHFSJML-UHFFFAOYSA-N 1 2 274.408 3.287 20 30 CGEDLO C=CCCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000520728524 375871268 /nfs/dbraw/zinc/87/12/68/375871268.db2.gz YDNMFUUNTWOXAW-CVEARBPZSA-N 1 2 262.397 3.270 20 30 CGEDLO C=CCCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000520728524 375871270 /nfs/dbraw/zinc/87/12/70/375871270.db2.gz YDNMFUUNTWOXAW-CVEARBPZSA-N 1 2 262.397 3.270 20 30 CGEDLO CC[N@H+](Cc1cc(C)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759998 375919163 /nfs/dbraw/zinc/91/91/63/375919163.db2.gz AIKXSSBBIWSUGS-ZDUSSCGKSA-N 1 2 269.348 3.438 20 30 CGEDLO CC[N@@H+](Cc1cc(C)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759998 375919172 /nfs/dbraw/zinc/91/91/72/375919172.db2.gz AIKXSSBBIWSUGS-ZDUSSCGKSA-N 1 2 269.348 3.438 20 30 CGEDLO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)c(F)cc1OC ZINC000529524951 375928134 /nfs/dbraw/zinc/92/81/34/375928134.db2.gz MKBBUQUODMUABW-GFCCVEGCSA-N 1 2 294.370 3.215 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)c(F)cc1OC ZINC000529524951 375928141 /nfs/dbraw/zinc/92/81/41/375928141.db2.gz MKBBUQUODMUABW-GFCCVEGCSA-N 1 2 294.370 3.215 20 30 CGEDLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)cc1F ZINC000530371971 375940760 /nfs/dbraw/zinc/94/07/60/375940760.db2.gz BLBZXHLESXSENK-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000194609609 376024302 /nfs/dbraw/zinc/02/43/02/376024302.db2.gz SWMMBGRHMIOKPF-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#CC[N@@H+](CCc1cccc(F)c1F)C1CCCC1 ZINC000541349767 376441205 /nfs/dbraw/zinc/44/12/05/376441205.db2.gz RZEFTQFWJYUIHW-UHFFFAOYSA-N 1 2 264.319 3.275 20 30 CGEDLO N#CC[N@H+](CCc1cccc(F)c1F)C1CCCC1 ZINC000541349767 376441214 /nfs/dbraw/zinc/44/12/14/376441214.db2.gz RZEFTQFWJYUIHW-UHFFFAOYSA-N 1 2 264.319 3.275 20 30 CGEDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cn1 ZINC000543505254 376652169 /nfs/dbraw/zinc/65/21/69/376652169.db2.gz NURSNLYJWVVSNJ-GFCCVEGCSA-N 1 2 286.354 3.326 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000264520385 190115833 /nfs/dbraw/zinc/11/58/33/190115833.db2.gz ZYAPPYUMRAFGCX-UHFFFAOYSA-N 1 2 253.349 3.024 20 30 CGEDLO N#CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000238034572 376768563 /nfs/dbraw/zinc/76/85/63/376768563.db2.gz LIFMWVLZRZTZSW-UHFFFAOYSA-N 1 2 273.163 3.482 20 30 CGEDLO Cc1[nH+]c2ccccn2c1COc1cc(F)cc(C#N)c1 ZINC000340820984 377272713 /nfs/dbraw/zinc/27/27/13/377272713.db2.gz JGYYWYXJNYGMBS-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO C=C(C)[C@H](NCc1[nH+]cc(C)n1C)c1ccc(F)c(F)c1 ZINC000341400371 377552183 /nfs/dbraw/zinc/55/21/83/377552183.db2.gz XBBVQJBTUAKJMW-INIZCTEOSA-N 1 2 291.345 3.414 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ncc(C)n1C)c1ccc(F)c(F)c1 ZINC000341400371 377552197 /nfs/dbraw/zinc/55/21/97/377552197.db2.gz XBBVQJBTUAKJMW-INIZCTEOSA-N 1 2 291.345 3.414 20 30 CGEDLO C=CCCC[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000341524416 377606283 /nfs/dbraw/zinc/60/62/83/377606283.db2.gz QERZZUSGMKTONN-SNVBAGLBSA-N 1 2 262.382 3.200 20 30 CGEDLO C=CC[C@H](CC)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000341659489 377612842 /nfs/dbraw/zinc/61/28/42/377612842.db2.gz YDRFPGJOEAQGFC-AWEZNQCLSA-N 1 2 283.375 3.265 20 30 CGEDLO CCC[N@H+](Cc1ncc(C)n1C)Cc1ccc(C#N)cc1 ZINC000342800615 377802468 /nfs/dbraw/zinc/80/24/68/377802468.db2.gz TUBBEACPHJGPGY-UHFFFAOYSA-N 1 2 282.391 3.012 20 30 CGEDLO CCC[N@@H+](Cc1ncc(C)n1C)Cc1ccc(C#N)cc1 ZINC000342800615 377802474 /nfs/dbraw/zinc/80/24/74/377802474.db2.gz TUBBEACPHJGPGY-UHFFFAOYSA-N 1 2 282.391 3.012 20 30 CGEDLO CCCN(Cc1[nH+]cc(C)n1C)Cc1ccc(C#N)cc1 ZINC000342800615 377802481 /nfs/dbraw/zinc/80/24/81/377802481.db2.gz TUBBEACPHJGPGY-UHFFFAOYSA-N 1 2 282.391 3.012 20 30 CGEDLO COc1ccc(C[N@H+](C)CC2(C#N)CC2)cc1OC(F)F ZINC000343235682 377936141 /nfs/dbraw/zinc/93/61/41/377936141.db2.gz FVAUEBNIMPROMR-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1ccc(C[N@@H+](C)CC2(C#N)CC2)cc1OC(F)F ZINC000343235682 377936150 /nfs/dbraw/zinc/93/61/50/377936150.db2.gz FVAUEBNIMPROMR-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc[nH+]c(C)n1 ZINC000343330886 377954724 /nfs/dbraw/zinc/95/47/24/377954724.db2.gz GDQXRKOMRPCVET-UHFFFAOYSA-N 1 2 285.395 3.145 20 30 CGEDLO CC(C)(CCC#N)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000343334566 377954770 /nfs/dbraw/zinc/95/47/70/377954770.db2.gz BRICJNLHQFSIRI-UHFFFAOYSA-N 1 2 272.396 3.424 20 30 CGEDLO N#Cc1ccc(OC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000264209477 377964462 /nfs/dbraw/zinc/96/44/62/377964462.db2.gz LZIWBPAEDQSJCN-UHFFFAOYSA-N 1 2 279.343 3.001 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000264435955 377985638 /nfs/dbraw/zinc/98/56/38/377985638.db2.gz DQTGZDAQJSGQKR-LBPRGKRZSA-N 1 2 269.348 3.048 20 30 CGEDLO N#CC1(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000343581162 378028331 /nfs/dbraw/zinc/02/83/31/378028331.db2.gz MDQNIGZNRFTHMF-UHFFFAOYSA-N 1 2 299.201 3.091 20 30 CGEDLO N#CC1(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000343581162 378028335 /nfs/dbraw/zinc/02/83/35/378028335.db2.gz MDQNIGZNRFTHMF-UHFFFAOYSA-N 1 2 299.201 3.091 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cn1)c1nc(C)cs1 ZINC000580508889 378248975 /nfs/dbraw/zinc/24/89/75/378248975.db2.gz CGQILWMDMKDGQN-OAHLLOKOSA-N 1 2 286.404 3.133 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000345867927 378392195 /nfs/dbraw/zinc/39/21/95/378392195.db2.gz DSJWVKMEJDPFFK-AWEZNQCLSA-N 1 2 268.360 3.453 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000345867927 378392202 /nfs/dbraw/zinc/39/22/02/378392202.db2.gz DSJWVKMEJDPFFK-AWEZNQCLSA-N 1 2 268.360 3.453 20 30 CGEDLO CCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000271114840 378454133 /nfs/dbraw/zinc/45/41/33/378454133.db2.gz DYUUBOMQRKVYIT-CYBMUJFWSA-N 1 2 276.380 3.075 20 30 CGEDLO CCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000271114840 378454138 /nfs/dbraw/zinc/45/41/38/378454138.db2.gz DYUUBOMQRKVYIT-CYBMUJFWSA-N 1 2 276.380 3.075 20 30 CGEDLO CCCOc1c(C[N@H+](C)C[C@H](C)C#N)cccc1OCC ZINC000271129770 378460110 /nfs/dbraw/zinc/46/01/10/378460110.db2.gz NHUCRMMGYDVWMG-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCOc1c(C[N@@H+](C)C[C@H](C)C#N)cccc1OCC ZINC000271129770 378460116 /nfs/dbraw/zinc/46/01/16/378460116.db2.gz NHUCRMMGYDVWMG-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000271139997 378461490 /nfs/dbraw/zinc/46/14/90/378461490.db2.gz USSMECWREQOFAB-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000271139997 378461498 /nfs/dbraw/zinc/46/14/98/378461498.db2.gz USSMECWREQOFAB-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000271052606 378440298 /nfs/dbraw/zinc/44/02/98/378440298.db2.gz QRPQQNJCIGDNMS-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000271052606 378440303 /nfs/dbraw/zinc/44/03/03/378440303.db2.gz QRPQQNJCIGDNMS-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CCCCc1noc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000271807081 378504974 /nfs/dbraw/zinc/50/49/74/378504974.db2.gz QHXMLVGRSWRREG-UHFFFAOYSA-N 1 2 296.374 3.063 20 30 CGEDLO C=CCCC1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000347010220 378704046 /nfs/dbraw/zinc/70/40/46/378704046.db2.gz GEVZEGNHDVODNB-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C=CCCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000274469444 378838134 /nfs/dbraw/zinc/83/81/34/378838134.db2.gz LSXSGHUDIKUEKE-UHFFFAOYSA-N 1 2 283.375 3.018 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)c(F)c1 ZINC000274755356 378889399 /nfs/dbraw/zinc/88/93/99/378889399.db2.gz FXMFMAPLHHXFBC-HNNXBMFYSA-N 1 2 277.318 3.105 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377505363 379688282 /nfs/dbraw/zinc/68/82/82/379688282.db2.gz ZQONGJHRELVQJA-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377505363 379688289 /nfs/dbraw/zinc/68/82/89/379688289.db2.gz ZQONGJHRELVQJA-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000352463941 379826125 /nfs/dbraw/zinc/82/61/25/379826125.db2.gz MOSPNJKENDHZIA-UHFFFAOYSA-N 1 2 297.717 3.076 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000267966790 190366185 /nfs/dbraw/zinc/36/61/85/190366185.db2.gz ALDYOMOSFMFYQK-LLVKDONJSA-N 1 2 286.404 3.384 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](C)[C@@H](C)CC#N)cc2c1 ZINC000411315216 380139854 /nfs/dbraw/zinc/13/98/54/380139854.db2.gz HNMCQFUAZCPDKK-ZDUSSCGKSA-N 1 2 253.349 3.277 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](C)[C@@H](C)CC#N)cc2c1 ZINC000411315216 380139859 /nfs/dbraw/zinc/13/98/59/380139859.db2.gz HNMCQFUAZCPDKK-ZDUSSCGKSA-N 1 2 253.349 3.277 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1cnccn1 ZINC000411140218 380131955 /nfs/dbraw/zinc/13/19/55/380131955.db2.gz SRRFMWSWLPFGNV-LBPRGKRZSA-N 1 2 259.378 3.287 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1cnccn1 ZINC000411140218 380131959 /nfs/dbraw/zinc/13/19/59/380131959.db2.gz SRRFMWSWLPFGNV-LBPRGKRZSA-N 1 2 259.378 3.287 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411183122 380133123 /nfs/dbraw/zinc/13/31/23/380133123.db2.gz IUHBIJJTYRNVAO-KGLIPLIRSA-N 1 2 292.398 3.117 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411183122 380133125 /nfs/dbraw/zinc/13/31/25/380133125.db2.gz IUHBIJJTYRNVAO-KGLIPLIRSA-N 1 2 292.398 3.117 20 30 CGEDLO COc1cc(C[NH2+]Cc2csc(C3CC3)n2)ccc1C#N ZINC000353215120 380170661 /nfs/dbraw/zinc/17/06/61/380170661.db2.gz WEGNMFPKAIHPDX-UHFFFAOYSA-N 1 2 299.399 3.191 20 30 CGEDLO N#Cc1cc(Oc2ccc(NCc3[nH]cc[nH+]3)cc2)ccn1 ZINC000353218534 380172884 /nfs/dbraw/zinc/17/28/84/380172884.db2.gz KRALTTSLVURADU-UHFFFAOYSA-N 1 2 291.314 3.081 20 30 CGEDLO Cc1cnc(C(C)(C)[NH2+]Cc2cccc(C#N)c2F)s1 ZINC000348091872 218454617 /nfs/dbraw/zinc/45/46/17/218454617.db2.gz MUWGQFSAKZPXDQ-UHFFFAOYSA-N 1 2 289.379 3.487 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000357713999 381262222 /nfs/dbraw/zinc/26/22/22/381262222.db2.gz GBKVRACMRADQFF-UHFFFAOYSA-N 1 2 269.348 3.100 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000358284696 381300333 /nfs/dbraw/zinc/30/03/33/381300333.db2.gz XOYQHCKRYJHRMM-WDEREUQCSA-N 1 2 263.410 3.050 20 30 CGEDLO Cc1nnc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000362424825 381986001 /nfs/dbraw/zinc/98/60/01/381986001.db2.gz LNCZICJFDBDHDV-GFCCVEGCSA-N 1 2 294.358 3.100 20 30 CGEDLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000362424825 381986004 /nfs/dbraw/zinc/98/60/04/381986004.db2.gz LNCZICJFDBDHDV-GFCCVEGCSA-N 1 2 294.358 3.100 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CCC1(F)F ZINC000335336444 208218835 /nfs/dbraw/zinc/21/88/35/208218835.db2.gz KWFRLFYQOVVQPM-SNVBAGLBSA-N 1 2 268.282 3.174 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCC1(F)F ZINC000335336444 208218837 /nfs/dbraw/zinc/21/88/37/208218837.db2.gz KWFRLFYQOVVQPM-SNVBAGLBSA-N 1 2 268.282 3.174 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000367222363 533269481 /nfs/dbraw/zinc/26/94/81/533269481.db2.gz CEQCDUUEMRFXRJ-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000367222363 533269484 /nfs/dbraw/zinc/26/94/84/533269484.db2.gz CEQCDUUEMRFXRJ-INIZCTEOSA-N 1 2 296.374 3.017 20 30 CGEDLO Cc1[nH+]cc(CN(CCC#N)CC2CC2)n1-c1ccccc1 ZINC000093091418 392234754 /nfs/dbraw/zinc/23/47/54/392234754.db2.gz OOXAIHXHZOAPAO-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(C)s1)Cc1ccccc1 ZINC000285857502 392340108 /nfs/dbraw/zinc/34/01/08/392340108.db2.gz XLOWGHPNPQZMGD-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO C#CC[N@H+](Cc1ncc(C)s1)Cc1ccccc1 ZINC000285857502 392340112 /nfs/dbraw/zinc/34/01/12/392340112.db2.gz XLOWGHPNPQZMGD-UHFFFAOYSA-N 1 2 256.374 3.087 20 30 CGEDLO O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CC12CCCCC2 ZINC000329511398 392685648 /nfs/dbraw/zinc/68/56/48/392685648.db2.gz KNTDELRDZQRROV-CYBMUJFWSA-N 1 2 284.363 3.192 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000181276629 392725936 /nfs/dbraw/zinc/72/59/36/392725936.db2.gz DQYQOFCSQDHKEJ-UHFFFAOYSA-N 1 2 271.364 3.307 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000181276629 392725941 /nfs/dbraw/zinc/72/59/41/392725941.db2.gz DQYQOFCSQDHKEJ-UHFFFAOYSA-N 1 2 271.364 3.307 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000404082318 392963091 /nfs/dbraw/zinc/96/30/91/392963091.db2.gz PORMDIRPAAOUSF-HNNXBMFYSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000404082318 392963100 /nfs/dbraw/zinc/96/31/00/392963100.db2.gz PORMDIRPAAOUSF-HNNXBMFYSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](c2ccccc2)CO1 ZINC000245765024 393046444 /nfs/dbraw/zinc/04/64/44/393046444.db2.gz QMKLCXWDUHWNIC-CXAGYDPISA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](c2ccccc2)CO1 ZINC000245765024 393046447 /nfs/dbraw/zinc/04/64/47/393046447.db2.gz QMKLCXWDUHWNIC-CXAGYDPISA-N 1 2 282.343 3.113 20 30 CGEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2Cl)C1=O ZINC000281921290 393370529 /nfs/dbraw/zinc/37/05/29/393370529.db2.gz HEINNHUHVVUDBC-WFASDCNBSA-N 1 2 292.810 3.120 20 30 CGEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2Cl)C1=O ZINC000281921290 393370538 /nfs/dbraw/zinc/37/05/38/393370538.db2.gz HEINNHUHVVUDBC-WFASDCNBSA-N 1 2 292.810 3.120 20 30 CGEDLO Cc1cc(C[N@@H+](CC(F)F)C(C)C)ccc1C#N ZINC000488171025 393465952 /nfs/dbraw/zinc/46/59/52/393465952.db2.gz NTDLOEPINXBVRQ-UHFFFAOYSA-N 1 2 252.308 3.342 20 30 CGEDLO Cc1cc(C[N@H+](CC(F)F)C(C)C)ccc1C#N ZINC000488171025 393465958 /nfs/dbraw/zinc/46/59/58/393465958.db2.gz NTDLOEPINXBVRQ-UHFFFAOYSA-N 1 2 252.308 3.342 20 30 CGEDLO CCCc1ncc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000453394142 394230779 /nfs/dbraw/zinc/23/07/79/394230779.db2.gz SCMRYDGPEMQLDU-LLVKDONJSA-N 1 2 287.338 3.489 20 30 CGEDLO N#Cc1cccc(COc2ccccc2-n2cc[nH+]c2)c1 ZINC000536116167 288473769 /nfs/dbraw/zinc/47/37/69/288473769.db2.gz BSWQRVYODYMWHO-UHFFFAOYSA-N 1 2 275.311 3.323 20 30 CGEDLO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000080278761 165151792 /nfs/dbraw/zinc/15/17/92/165151792.db2.gz NFNCWOHCLRWIOX-ZDUSSCGKSA-N 1 2 275.352 3.395 20 30 CGEDLO Cc1ccc(C)c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000092141792 165283825 /nfs/dbraw/zinc/28/38/25/165283825.db2.gz LHSSGAOZSSKRSB-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO CC(C)[C@H](Nc1cccc(F)c1C#N)c1[nH]cc[nH+]1 ZINC000284539161 196080398 /nfs/dbraw/zinc/08/03/98/196080398.db2.gz AWDDRZHVDRBINP-ZDUSSCGKSA-N 1 2 258.300 3.230 20 30 CGEDLO Cc1ccc(F)c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000128214832 287306101 /nfs/dbraw/zinc/30/61/01/287306101.db2.gz SNZDYWBHQSQCMB-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO N#CC[N@@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000344521728 225076980 /nfs/dbraw/zinc/07/69/80/225076980.db2.gz QPFLBUQOUFFIMG-UHFFFAOYSA-N 1 2 260.303 3.343 20 30 CGEDLO N#CC[N@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000344521728 225076986 /nfs/dbraw/zinc/07/69/86/225076986.db2.gz QPFLBUQOUFFIMG-UHFFFAOYSA-N 1 2 260.303 3.343 20 30 CGEDLO C=CCOc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000684413852 543997612 /nfs/dbraw/zinc/99/76/12/543997612.db2.gz HJPFFZPFHSYKMV-UHFFFAOYSA-N 1 2 255.308 3.385 20 30 CGEDLO C=C(C)COC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000736839316 572820907 /nfs/dbraw/zinc/82/09/07/572820907.db2.gz XCITWOHOVRDGIV-UHFFFAOYSA-N 1 2 263.337 3.007 20 30 CGEDLO Cc1cccn2c(CNc3ccc(F)c(C#N)c3)c[nH+]c12 ZINC000191842538 227196692 /nfs/dbraw/zinc/19/66/92/227196692.db2.gz YKPPEASWCOGPPL-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352762232 227200882 /nfs/dbraw/zinc/20/08/82/227200882.db2.gz DOQSATKUAIHQMJ-CYBMUJFWSA-N 1 2 295.342 3.106 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)nn1 ZINC000653474976 419033029 /nfs/dbraw/zinc/03/30/29/419033029.db2.gz JLVLZOBVMVHFIN-ZDUSSCGKSA-N 1 2 288.370 3.186 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)nn1 ZINC000653474976 419033033 /nfs/dbraw/zinc/03/30/33/419033033.db2.gz JLVLZOBVMVHFIN-ZDUSSCGKSA-N 1 2 288.370 3.186 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912139 419111369 /nfs/dbraw/zinc/11/13/69/419111369.db2.gz ONEYDMREYLBRNS-GOEBONIOSA-N 1 2 268.360 3.350 20 30 CGEDLO C=CCC1(NC(=O)NCc2cc(C)[nH+]c(C)c2)CCCC1 ZINC000665163630 419069475 /nfs/dbraw/zinc/06/94/75/419069475.db2.gz HSLBHYTTZXACMI-UHFFFAOYSA-N 1 2 287.407 3.387 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000665951481 419174031 /nfs/dbraw/zinc/17/40/31/419174031.db2.gz MCILXVDKIIJEHL-AWEZNQCLSA-N 1 2 298.390 3.463 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708626 419184546 /nfs/dbraw/zinc/18/45/46/419184546.db2.gz RUIQFXQXEQWXLZ-JTQLQIEISA-N 1 2 261.756 3.232 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708626 419184549 /nfs/dbraw/zinc/18/45/49/419184549.db2.gz RUIQFXQXEQWXLZ-JTQLQIEISA-N 1 2 261.756 3.232 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708626 419184551 /nfs/dbraw/zinc/18/45/51/419184551.db2.gz RUIQFXQXEQWXLZ-JTQLQIEISA-N 1 2 261.756 3.232 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708626 419184555 /nfs/dbraw/zinc/18/45/55/419184555.db2.gz RUIQFXQXEQWXLZ-JTQLQIEISA-N 1 2 261.756 3.232 20 30 CGEDLO C=CCC[N@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000661645468 419282065 /nfs/dbraw/zinc/28/20/65/419282065.db2.gz RWYRKVQZPVRTJP-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCC[N@@H+]1CCOC[C@H]1c1ccc(Br)cc1 ZINC000661645468 419282066 /nfs/dbraw/zinc/28/20/66/419282066.db2.gz RWYRKVQZPVRTJP-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000352087490 228181411 /nfs/dbraw/zinc/18/14/11/228181411.db2.gz NVWZRTRIPJWKSG-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000352087490 228181412 /nfs/dbraw/zinc/18/14/12/228181412.db2.gz NVWZRTRIPJWKSG-OAHLLOKOSA-N 1 2 295.386 3.252 20 30 CGEDLO Cc1cc(C)cc(N(C)Cc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000180697432 260109266 /nfs/dbraw/zinc/10/92/66/260109266.db2.gz VJNSVWLUNVNHLM-UHFFFAOYSA-N 1 2 290.370 3.459 20 30 CGEDLO C=CCCc1noc([C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000297353930 260119641 /nfs/dbraw/zinc/11/96/41/260119641.db2.gz PICTYAYMEXDXMC-OAHLLOKOSA-N 1 2 271.364 3.229 20 30 CGEDLO C=CCCc1noc([C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000297353930 260119643 /nfs/dbraw/zinc/11/96/43/260119643.db2.gz PICTYAYMEXDXMC-OAHLLOKOSA-N 1 2 271.364 3.229 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000059917516 260229876 /nfs/dbraw/zinc/22/98/76/260229876.db2.gz YRNCIEDFIXIWRS-VIFPVBQESA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000059917516 260229878 /nfs/dbraw/zinc/22/98/78/260229878.db2.gz YRNCIEDFIXIWRS-VIFPVBQESA-N 1 2 285.160 3.322 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCCCC1 ZINC000081158733 260331357 /nfs/dbraw/zinc/33/13/57/260331357.db2.gz SAFCBDGCGKDIAC-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCCCC1 ZINC000081158733 260331359 /nfs/dbraw/zinc/33/13/59/260331359.db2.gz SAFCBDGCGKDIAC-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCC[C@H](SC)C2)c1O ZINC000117107628 260684805 /nfs/dbraw/zinc/68/48/05/260684805.db2.gz GQWRYGMQFZXRJA-MUEVSNKISA-N 1 2 279.405 3.494 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(OC)ccc1Br ZINC000154771613 260751897 /nfs/dbraw/zinc/75/18/97/260751897.db2.gz AHEGWISLZWRQNS-UHFFFAOYSA-N 1 2 270.170 3.076 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000154771613 260751896 /nfs/dbraw/zinc/75/18/96/260751896.db2.gz AHEGWISLZWRQNS-UHFFFAOYSA-N 1 2 270.170 3.076 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184080862 262007216 /nfs/dbraw/zinc/00/72/16/262007216.db2.gz TWATZGGFVMBBRM-JTQLQIEISA-N 1 2 267.716 3.030 20 30 CGEDLO CC(C)(C)C[N@@H+](CC#Cc1ccccc1)CCC#N ZINC000192035889 262197796 /nfs/dbraw/zinc/19/77/96/262197796.db2.gz MITWBTPRXWOHOU-UHFFFAOYSA-N 1 2 254.377 3.300 20 30 CGEDLO CC(C)(C)C[N@H+](CC#Cc1ccccc1)CCC#N ZINC000192035889 262197797 /nfs/dbraw/zinc/19/77/97/262197797.db2.gz MITWBTPRXWOHOU-UHFFFAOYSA-N 1 2 254.377 3.300 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)CC[S@@](=O)c1ccccc1 ZINC000111250689 262258053 /nfs/dbraw/zinc/25/80/53/262258053.db2.gz XRGQUMOBEDHDDQ-FQEVSTJZSA-N 1 2 292.448 3.056 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)CC[S@@](=O)c1ccccc1 ZINC000111250689 262258055 /nfs/dbraw/zinc/25/80/55/262258055.db2.gz XRGQUMOBEDHDDQ-FQEVSTJZSA-N 1 2 292.448 3.056 20 30 CGEDLO CC(C)C[C@H](C[N@H+](C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270158 262341146 /nfs/dbraw/zinc/34/11/46/262341146.db2.gz BIRSTVCXJUZTKO-ZIAGYGMSSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)C[C@H](C[N@@H+](C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270158 262341147 /nfs/dbraw/zinc/34/11/47/262341147.db2.gz BIRSTVCXJUZTKO-ZIAGYGMSSA-N 1 2 297.443 3.160 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C[C@H](C)C#N ZINC000195435227 262362448 /nfs/dbraw/zinc/36/24/48/262362448.db2.gz LYABGMJUBOSZCP-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C[C@H](C)C#N ZINC000195435227 262362449 /nfs/dbraw/zinc/36/24/49/262362449.db2.gz LYABGMJUBOSZCP-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c(C)c1 ZINC000272558534 263006727 /nfs/dbraw/zinc/00/67/27/263006727.db2.gz LNXYZSPRXOXXHN-UHFFFAOYSA-N 1 2 299.418 3.176 20 30 CGEDLO Cn1c2ccc(NC(=O)CC(C)(C)C#N)cc2[nH+]c1C1CC1 ZINC000278865931 263051266 /nfs/dbraw/zinc/05/12/66/263051266.db2.gz YTBOZBRDWPQBRF-UHFFFAOYSA-N 1 2 296.374 3.329 20 30 CGEDLO CCc1cc(N)nc(S[C@@H](C#N)C2CCCCC2)[nH+]1 ZINC000279058948 263052550 /nfs/dbraw/zinc/05/25/50/263052550.db2.gz IGSNFKNBESERBJ-LBPRGKRZSA-N 1 2 276.409 3.186 20 30 CGEDLO CSC1(C[N@H+](CCC#N)Cc2ccccn2)CCC1 ZINC000290512956 263117206 /nfs/dbraw/zinc/11/72/06/263117206.db2.gz UAKWTEMZTJGICM-UHFFFAOYSA-N 1 2 275.421 3.083 20 30 CGEDLO CSC1(C[N@@H+](CCC#N)Cc2ccccn2)CCC1 ZINC000290512956 263117207 /nfs/dbraw/zinc/11/72/07/263117207.db2.gz UAKWTEMZTJGICM-UHFFFAOYSA-N 1 2 275.421 3.083 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000292837575 263135486 /nfs/dbraw/zinc/13/54/86/263135486.db2.gz RURNMISIEKHHKW-UHFFFAOYSA-N 1 2 286.375 3.233 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000292837575 263135487 /nfs/dbraw/zinc/13/54/87/263135487.db2.gz RURNMISIEKHHKW-UHFFFAOYSA-N 1 2 286.375 3.233 20 30 CGEDLO CCn1cccc1CNc1[nH+]cccc1OCCCC#N ZINC000296004242 263184806 /nfs/dbraw/zinc/18/48/06/263184806.db2.gz ONYHYFSOVHEPHP-UHFFFAOYSA-N 1 2 284.363 3.198 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000299178163 263233681 /nfs/dbraw/zinc/23/36/81/263233681.db2.gz ZMPSDUUTYODWTF-LLVKDONJSA-N 1 2 286.297 3.219 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000299178163 263233682 /nfs/dbraw/zinc/23/36/82/263233682.db2.gz ZMPSDUUTYODWTF-LLVKDONJSA-N 1 2 286.297 3.219 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000330801848 264042119 /nfs/dbraw/zinc/04/21/19/264042119.db2.gz ALDWYPIWMZBLJF-ZBFHGGJFSA-N 1 2 285.391 3.030 20 30 CGEDLO CC[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)c1[nH]cc[nH+]1 ZINC000331017876 264097264 /nfs/dbraw/zinc/09/72/64/264097264.db2.gz ZBMGHLTVZOICIY-LBPRGKRZSA-N 1 2 289.383 3.126 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000074981284 264319489 /nfs/dbraw/zinc/31/94/89/264319489.db2.gz GLBJNTKLEXQEED-ZDUSSCGKSA-N 1 2 281.400 3.201 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000074981284 264319490 /nfs/dbraw/zinc/31/94/90/264319490.db2.gz GLBJNTKLEXQEED-ZDUSSCGKSA-N 1 2 281.400 3.201 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285322350 264553154 /nfs/dbraw/zinc/55/31/54/264553154.db2.gz IZAIRBROIKWVGM-KRWDZBQOSA-N 1 2 283.350 3.128 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285322350 264553155 /nfs/dbraw/zinc/55/31/55/264553155.db2.gz IZAIRBROIKWVGM-KRWDZBQOSA-N 1 2 283.350 3.128 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000518965294 265252799 /nfs/dbraw/zinc/25/27/99/265252799.db2.gz MSLHENAUSUCMGE-SKDRFNHKSA-N 1 2 293.292 3.124 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356628525 266150622 /nfs/dbraw/zinc/15/06/22/266150622.db2.gz JMSJXFMVPUORAU-LBPRGKRZSA-N 1 2 285.391 3.356 20 30 CGEDLO C=CCCN(C)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000357013347 266232394 /nfs/dbraw/zinc/23/23/94/266232394.db2.gz RTMBCGJRLQROEI-UHFFFAOYSA-N 1 2 294.826 3.196 20 30 CGEDLO C=CCCN(C)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000357013347 266232395 /nfs/dbraw/zinc/23/23/95/266232395.db2.gz RTMBCGJRLQROEI-UHFFFAOYSA-N 1 2 294.826 3.196 20 30 CGEDLO Cc1cc(N[C@H](C)CCOCc2ccccc2)c(C#N)c[nH+]1 ZINC000399420339 267301830 /nfs/dbraw/zinc/30/18/30/267301830.db2.gz ZDORDYJMPMXUIL-CQSZACIVSA-N 1 2 295.386 3.091 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(F)c2Br)CCC1 ZINC000418145969 267366788 /nfs/dbraw/zinc/36/67/88/267366788.db2.gz ZWQRFAGZAZYDQA-UHFFFAOYSA-N 1 2 297.171 3.372 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)c3cscc3C#N)ccc2n1C ZINC000556419640 289391354 /nfs/dbraw/zinc/39/13/54/289391354.db2.gz JYQKZZNJZUDSFA-UHFFFAOYSA-N 1 2 296.355 3.067 20 30 CGEDLO Cc1cc([NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1N1CCOCC1 ZINC000185896635 327850438 /nfs/dbraw/zinc/85/04/38/327850438.db2.gz UALGTPMWXVMKAT-HZPDHXFCSA-N 1 2 299.418 3.326 20 30 CGEDLO C=CCC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC000563221887 327980460 /nfs/dbraw/zinc/98/04/60/327980460.db2.gz PLINEOMNSILVHI-CQSZACIVSA-N 1 2 275.396 3.087 20 30 CGEDLO CC1(C)CCC[N@H+](CC2Cc3ccccc3C2)[C@H]1C#N ZINC000571251789 328094550 /nfs/dbraw/zinc/09/45/50/328094550.db2.gz PHGRDEQELFNZFI-KRWDZBQOSA-N 1 2 268.404 3.416 20 30 CGEDLO CC1(C)CCC[N@@H+](CC2Cc3ccccc3C2)[C@H]1C#N ZINC000571251789 328094551 /nfs/dbraw/zinc/09/45/51/328094551.db2.gz PHGRDEQELFNZFI-KRWDZBQOSA-N 1 2 268.404 3.416 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000411765388 328099260 /nfs/dbraw/zinc/09/92/60/328099260.db2.gz BSOULFHBEAESHA-ZYHUDNBSSA-N 1 2 278.318 3.110 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000411765388 328099261 /nfs/dbraw/zinc/09/92/61/328099261.db2.gz BSOULFHBEAESHA-ZYHUDNBSSA-N 1 2 278.318 3.110 20 30 CGEDLO C=C(C)COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC ZINC000271135694 328195107 /nfs/dbraw/zinc/19/51/07/328195107.db2.gz RBXAWLMSMGKTAZ-CQSZACIVSA-N 1 2 288.391 3.242 20 30 CGEDLO C=C(C)COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC ZINC000271135694 328195108 /nfs/dbraw/zinc/19/51/08/328195108.db2.gz RBXAWLMSMGKTAZ-CQSZACIVSA-N 1 2 288.391 3.242 20 30 CGEDLO N#Cc1cc(Nc2cccc([NH+]3CCCCCC3)c2)ncn1 ZINC000572463085 322338385 /nfs/dbraw/zinc/33/83/85/322338385.db2.gz UTGHUTJZIHZOAM-UHFFFAOYSA-N 1 2 293.374 3.472 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1sc(C)nc1C(F)(F)F ZINC000569590285 327201636 /nfs/dbraw/zinc/20/16/36/327201636.db2.gz WEBMPRFAWPGBOV-MRVPVSSYSA-N 1 2 277.315 3.252 20 30 CGEDLO CCO[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C12CCC2 ZINC000125186808 327390859 /nfs/dbraw/zinc/39/08/59/327390859.db2.gz OFDCLTCEOLEPFB-DSWHRGLISA-N 1 2 259.349 3.159 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000176256455 329172926 /nfs/dbraw/zinc/17/29/26/329172926.db2.gz VZXRHWZSWZAZBP-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000176256455 329172927 /nfs/dbraw/zinc/17/29/27/329172927.db2.gz VZXRHWZSWZAZBP-UHFFFAOYSA-N 1 2 293.754 3.374 20 30 CGEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000181285456 329229685 /nfs/dbraw/zinc/22/96/85/329229685.db2.gz TTYXGVAKDHJCAI-AWEZNQCLSA-N 1 2 292.423 3.003 20 30 CGEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000181285456 329229686 /nfs/dbraw/zinc/22/96/86/329229686.db2.gz TTYXGVAKDHJCAI-AWEZNQCLSA-N 1 2 292.423 3.003 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2ccc(OC)cc2s1 ZINC000186659200 329347061 /nfs/dbraw/zinc/34/70/61/329347061.db2.gz ALPBFYCZKKYNGW-UHFFFAOYSA-N 1 2 274.389 3.479 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccccc2F)no1 ZINC000188961406 329376041 /nfs/dbraw/zinc/37/60/41/329376041.db2.gz MYSNDOUPAJXIGA-UHFFFAOYSA-N 1 2 273.311 3.050 20 30 CGEDLO CCN(C)c1ccc(CNc2ccc(CC#N)cc2)c[nH+]1 ZINC000190815239 329401068 /nfs/dbraw/zinc/40/10/68/329401068.db2.gz PKCDJFJERKTYAP-UHFFFAOYSA-N 1 2 280.375 3.216 20 30 CGEDLO C=CCc1cc(CNc2cc[nH+]cc2F)cc(OC)c1O ZINC000192149919 329429579 /nfs/dbraw/zinc/42/95/79/329429579.db2.gz AESINLFYRRKHMK-UHFFFAOYSA-N 1 2 288.322 3.276 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000564036319 329657076 /nfs/dbraw/zinc/65/70/76/329657076.db2.gz BCZZHLWGLKWTAJ-WFASDCNBSA-N 1 2 266.348 3.191 20 30 CGEDLO CCC(C#N)(CC)c1nc(CCc2[nH+]cccc2C)no1 ZINC000528206740 330313198 /nfs/dbraw/zinc/31/31/98/330313198.db2.gz LQCIHNSQWAVSNQ-UHFFFAOYSA-N 1 2 284.363 3.140 20 30 CGEDLO CCC[N@@H+](CC#N)CCCOc1cccc(Cl)c1 ZINC000058921990 330393406 /nfs/dbraw/zinc/39/34/06/330393406.db2.gz JRBMTGRZRZMQPI-UHFFFAOYSA-N 1 2 266.772 3.344 20 30 CGEDLO CCC[N@H+](CC#N)CCCOc1cccc(Cl)c1 ZINC000058921990 330393407 /nfs/dbraw/zinc/39/34/07/330393407.db2.gz JRBMTGRZRZMQPI-UHFFFAOYSA-N 1 2 266.772 3.344 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000489453354 332053665 /nfs/dbraw/zinc/05/36/65/332053665.db2.gz ZCZHZKMXNXPPCR-ZDUSSCGKSA-N 1 2 286.404 3.141 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000489453354 332053667 /nfs/dbraw/zinc/05/36/67/332053667.db2.gz ZCZHZKMXNXPPCR-ZDUSSCGKSA-N 1 2 286.404 3.141 20 30 CGEDLO C#C[C@H](CCC)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000491567379 332239437 /nfs/dbraw/zinc/23/94/37/332239437.db2.gz KTNSBDYUYVZTFA-OAHLLOKOSA-N 1 2 294.354 3.406 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(CCC)c1)c1ccc(Cl)cc1 ZINC000491663666 332272845 /nfs/dbraw/zinc/27/28/45/332272845.db2.gz RRVPKEMAQMLFNA-MRXNPFEDSA-N 1 2 287.794 3.411 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000491674787 332280495 /nfs/dbraw/zinc/28/04/95/332280495.db2.gz XZSNSBUMHHQAMF-HNNXBMFYSA-N 1 2 286.762 3.208 20 30 CGEDLO C#CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000491680221 332284144 /nfs/dbraw/zinc/28/41/44/332284144.db2.gz HYLJSQGZTJLUFC-UHFFFAOYSA-N 1 2 288.297 3.217 20 30 CGEDLO C#CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1CC1 ZINC000491680221 332284146 /nfs/dbraw/zinc/28/41/46/332284146.db2.gz HYLJSQGZTJLUFC-UHFFFAOYSA-N 1 2 288.297 3.217 20 30 CGEDLO C#C[C@H]([NH2+]Cc1conc1C)c1ccc(Cl)cc1 ZINC000491723314 332308238 /nfs/dbraw/zinc/30/82/38/332308238.db2.gz BOIKVQHWJDWYAI-AWEZNQCLSA-N 1 2 260.724 3.101 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492773395 332412943 /nfs/dbraw/zinc/41/29/43/332412943.db2.gz VINIGFUDMJAZMN-CMDGGOBGSA-N 1 2 281.359 3.028 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493315557 332435015 /nfs/dbraw/zinc/43/50/15/332435015.db2.gz FYCSWZMNXWIMBW-HJWRWDBZSA-N 1 2 273.380 3.018 20 30 CGEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC#N)CC1 ZINC000541951420 333803925 /nfs/dbraw/zinc/80/39/25/333803925.db2.gz FZCYELLJGVLHPR-LBPRGKRZSA-N 1 2 296.374 3.022 20 30 CGEDLO CCOc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1 ZINC000545220200 333970592 /nfs/dbraw/zinc/97/05/92/333970592.db2.gz FAFBGNAMKZJMDJ-UHFFFAOYSA-N 1 2 267.332 3.158 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1noc(Cc2ccccc2)n1 ZINC000549547870 334197544 /nfs/dbraw/zinc/19/75/44/334197544.db2.gz PATLTKAPAVJQNG-AEGPPILISA-N 1 2 296.374 3.003 20 30 CGEDLO N#CCCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000577104870 335300749 /nfs/dbraw/zinc/30/07/49/335300749.db2.gz BIOKGHCVZAMXPS-UHFFFAOYSA-N 1 2 288.395 3.243 20 30 CGEDLO CC(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1nc2ccccc2[nH]1 ZINC000577741208 335395053 /nfs/dbraw/zinc/39/50/53/335395053.db2.gz AAUYXEYGDIGTFR-CJNGLKHVSA-N 1 2 295.390 3.293 20 30 CGEDLO C=C(Br)C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184827952 518583019 /nfs/dbraw/zinc/58/30/19/518583019.db2.gz HXMVTNJVZMHSMR-NSHDSACASA-N 1 2 288.185 3.028 20 30 CGEDLO Cc1cccc(CCNc2cc(C)c([N+](=O)[O-])cc2C#N)[nH+]1 ZINC000413272182 534696019 /nfs/dbraw/zinc/69/60/19/534696019.db2.gz TXWACVNZVQCQAJ-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ncc(C#N)cc3Cl)ccc21 ZINC000439707823 534811716 /nfs/dbraw/zinc/81/17/16/534811716.db2.gz NBWVPXKDTAGLAJ-UHFFFAOYSA-N 1 2 283.722 3.237 20 30 CGEDLO C=CCOc1ccccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000347287732 526935592 /nfs/dbraw/zinc/93/55/92/526935592.db2.gz JTJIVTOYIPCAHK-UHFFFAOYSA-N 1 2 283.375 3.199 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)cn1 ZINC000440479378 528348156 /nfs/dbraw/zinc/34/81/56/528348156.db2.gz GJQOVCAAULIITK-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cn1 ZINC000440479378 528348160 /nfs/dbraw/zinc/34/81/60/528348160.db2.gz GJQOVCAAULIITK-UHFFFAOYSA-N 1 2 298.365 3.243 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@H](C)C#N ZINC000353287783 528763106 /nfs/dbraw/zinc/76/31/06/528763106.db2.gz RYTYCXKVOBZRLB-GFCCVEGCSA-N 1 2 287.338 3.462 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C[C@H](C)C#N ZINC000353287783 528763109 /nfs/dbraw/zinc/76/31/09/528763109.db2.gz RYTYCXKVOBZRLB-GFCCVEGCSA-N 1 2 287.338 3.462 20 30 CGEDLO CCCc1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425541152 528785747 /nfs/dbraw/zinc/78/57/47/528785747.db2.gz PGELVPJGNBGAMM-LBPRGKRZSA-N 1 2 284.363 3.087 20 30 CGEDLO CCCc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425541152 528785754 /nfs/dbraw/zinc/78/57/54/528785754.db2.gz PGELVPJGNBGAMM-LBPRGKRZSA-N 1 2 284.363 3.087 20 30 CGEDLO CC[N@H+](Cc1nc(C#N)cs1)[C@@H](C)c1cccc(O)c1 ZINC000356057807 528882982 /nfs/dbraw/zinc/88/29/82/528882982.db2.gz FIXMKHWOVMIJSL-NSHDSACASA-N 1 2 287.388 3.303 20 30 CGEDLO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H](C)c1cccc(O)c1 ZINC000356057807 528882986 /nfs/dbraw/zinc/88/29/86/528882986.db2.gz FIXMKHWOVMIJSL-NSHDSACASA-N 1 2 287.388 3.303 20 30 CGEDLO CC(=NNC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000727652680 571760066 /nfs/dbraw/zinc/76/00/66/571760066.db2.gz UOCGVZXECASANP-UHFFFAOYSA-N 1 2 268.364 3.129 20 30 CGEDLO CC1(c2ccccc2)CC(/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000729937503 571937915 /nfs/dbraw/zinc/93/79/15/571937915.db2.gz ULPAIPKCYHOPRQ-YBFXNURJSA-N 1 2 297.354 3.343 20 30 CGEDLO C=C1CC[NH+](Cc2cc3c(C)nn(C)c3nc2Cl)CC1 ZINC000731032782 572392360 /nfs/dbraw/zinc/39/23/60/572392360.db2.gz ORNRPCWRQDZXPO-UHFFFAOYSA-N 1 2 290.798 3.082 20 30 CGEDLO Cc1ccc(C[C@@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)c(C)c1 ZINC000731155578 572398193 /nfs/dbraw/zinc/39/81/93/572398193.db2.gz LMMFAACFURBSHE-BUESGFEBSA-N 1 2 299.370 3.470 20 30 CGEDLO Cc1cc2c(c(C)c1Cl)C(=O)/C(=C/c1[nH]cc[nH+]1)CO2 ZINC000731158845 572398701 /nfs/dbraw/zinc/39/87/01/572398701.db2.gz KAEHPTHWDGGKSH-UXBLZVDNSA-N 1 2 288.734 3.339 20 30 CGEDLO Oc1ccc(/C=[NH+]/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(O)c1O ZINC000741845727 572534673 /nfs/dbraw/zinc/53/46/73/572534673.db2.gz VXEDKZKFUYGDDL-VGMIJLBHSA-N 1 2 275.348 3.191 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000739914646 572608937 /nfs/dbraw/zinc/60/89/37/572608937.db2.gz MRGXKSDCKNKFQM-UHFFFAOYSA-N 1 2 282.391 3.244 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000739914646 572608944 /nfs/dbraw/zinc/60/89/44/572608944.db2.gz MRGXKSDCKNKFQM-UHFFFAOYSA-N 1 2 282.391 3.244 20 30 CGEDLO O=C(/C=C/c1[nH+]ccn1Cc1ccccc1)c1cccnc1 ZINC000734096463 572630316 /nfs/dbraw/zinc/63/03/16/572630316.db2.gz NAIPITORRYDVPR-CMDGGOBGSA-N 1 2 289.338 3.223 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@H]2CCc3ccccc3C2)c1O ZINC000735228972 572707150 /nfs/dbraw/zinc/70/71/50/572707150.db2.gz MPPAGHAMUUEZHA-HCZVKUGISA-N 1 2 281.355 3.322 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCc3ccccc3C2)c1O ZINC000735228973 572707286 /nfs/dbraw/zinc/70/72/86/572707286.db2.gz MPPAGHAMUUEZHA-KZKLBEMASA-N 1 2 281.355 3.322 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\[C@H](C)CCc1cccn1C ZINC000741845839 572720471 /nfs/dbraw/zinc/72/04/71/572720471.db2.gz WZUOMIGEQLWQOK-FDIDITGRSA-N 1 2 286.375 3.180 20 30 CGEDLO CCCCCCCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000746152837 572856788 /nfs/dbraw/zinc/85/67/88/572856788.db2.gz SKLMLDLSCDCRIN-UHFFFAOYSA-N 1 2 265.401 3.092 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ncc(-c2ccccc2)s1 ZINC000747619898 572936830 /nfs/dbraw/zinc/93/68/30/572936830.db2.gz OREGDNICICJRIL-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO C#CC[N@H+](CC)Cc1ncc(-c2ccccc2)s1 ZINC000747619898 572936833 /nfs/dbraw/zinc/93/68/33/572936833.db2.gz OREGDNICICJRIL-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(Nc2ccccc2)n1 ZINC000749154682 572990079 /nfs/dbraw/zinc/99/00/79/572990079.db2.gz HIELZVVPQLKKIO-UHFFFAOYSA-N 1 2 271.389 3.342 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(Nc2ccccc2)n1 ZINC000749154682 572990080 /nfs/dbraw/zinc/99/00/80/572990080.db2.gz HIELZVVPQLKKIO-UHFFFAOYSA-N 1 2 271.389 3.342 20 30 CGEDLO O=C1c2c(c(F)ccc2F)C/C1=C\c1c[nH+]c2ccccn12 ZINC000749588910 573021701 /nfs/dbraw/zinc/02/17/01/573021701.db2.gz GNDNZXCEKCQXKB-JXMROGBWSA-N 1 2 296.276 3.435 20 30 CGEDLO Oc1c(F)cc(C=NNc2cc[nH+]c3ccccc23)cc1F ZINC000749859744 573048842 /nfs/dbraw/zinc/04/88/42/573048842.db2.gz STRBXOPPKMHTMQ-UHFFFAOYSA-N 1 2 299.280 3.087 20 30 CGEDLO COc1cccc(/C=[NH+]\CC2CCC(OC)CC2)c1O ZINC000749931963 573061957 /nfs/dbraw/zinc/06/19/57/573061957.db2.gz YBSIHDXHUYXUSD-BOPFTXTBSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000981433239 613373272 /nfs/dbraw/zinc/37/32/72/613373272.db2.gz MWPXEKRWYONISG-OAHLLOKOSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000981433239 613373273 /nfs/dbraw/zinc/37/32/73/613373273.db2.gz MWPXEKRWYONISG-OAHLLOKOSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922285 613375579 /nfs/dbraw/zinc/37/55/79/613375579.db2.gz UROINZQZWWFZMA-BXUZGUMPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922285 613375580 /nfs/dbraw/zinc/37/55/80/613375580.db2.gz UROINZQZWWFZMA-BXUZGUMPSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763387 613380847 /nfs/dbraw/zinc/38/08/47/613380847.db2.gz KPWQRQRALWSOOZ-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763387 613380848 /nfs/dbraw/zinc/38/08/48/613380848.db2.gz KPWQRQRALWSOOZ-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CCCCN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000890809670 617865708 /nfs/dbraw/zinc/86/57/08/617865708.db2.gz ZCXYZRATHPCUDU-UHFFFAOYSA-N 1 2 299.374 3.006 20 30 CGEDLO Cc1ccc(O)c(C(=O)/C=C\c2cccc3[nH+]ccn32)c1 ZINC000254944563 617687915 /nfs/dbraw/zinc/68/79/15/617687915.db2.gz BNXYJXAGZXBAQU-VURMDHGXSA-N 1 2 278.311 3.244 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000890889594 617891610 /nfs/dbraw/zinc/89/16/10/617891610.db2.gz YYIUXVADSOVJMO-ZIAGYGMSSA-N 1 2 267.332 3.185 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000890889594 617891611 /nfs/dbraw/zinc/89/16/11/617891611.db2.gz YYIUXVADSOVJMO-ZIAGYGMSSA-N 1 2 267.332 3.185 20 30 CGEDLO N#CCC[N@@H+](Cc1nccc2c1CCCC2)CC1CC1 ZINC000891933524 618393036 /nfs/dbraw/zinc/39/30/36/618393036.db2.gz IRCUVSORRMXGTP-UHFFFAOYSA-N 1 2 269.392 3.086 20 30 CGEDLO N#CCC[N@H+](Cc1nccc2c1CCCC2)CC1CC1 ZINC000891933524 618393045 /nfs/dbraw/zinc/39/30/45/618393045.db2.gz IRCUVSORRMXGTP-UHFFFAOYSA-N 1 2 269.392 3.086 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472810 618628185 /nfs/dbraw/zinc/62/81/85/618628185.db2.gz VGRCOAVEKMXJMQ-JQWIXIFHSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000934472810 618628188 /nfs/dbraw/zinc/62/81/88/618628188.db2.gz VGRCOAVEKMXJMQ-JQWIXIFHSA-N 1 2 296.773 3.457 20 30 CGEDLO C[C@H](CC(C)(C)C#N)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000926424510 618660071 /nfs/dbraw/zinc/66/00/71/618660071.db2.gz NSWSNWPWYYMPPO-CZUORRHYSA-N 1 2 291.414 3.346 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000926424514 618660185 /nfs/dbraw/zinc/66/01/85/618660185.db2.gz NSWSNWPWYYMPPO-XJKSGUPXSA-N 1 2 291.414 3.346 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4ccccc4C3=O)n2c1 ZINC000178765577 618688115 /nfs/dbraw/zinc/68/81/15/618688115.db2.gz FQGNVZNZOYQPER-NTEUORMPSA-N 1 2 274.323 3.465 20 30 CGEDLO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1cccc(C#N)c1O ZINC000926519476 618721628 /nfs/dbraw/zinc/72/16/28/618721628.db2.gz MLOXIAHHFRJZNT-ZBFHGGJFSA-N 1 2 276.380 3.120 20 30 CGEDLO O=C1c2cc(F)ccc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000180315055 618874012 /nfs/dbraw/zinc/87/40/12/618874012.db2.gz XKEIQJULMSHUHI-FMIVXFBMSA-N 1 2 278.286 3.296 20 30 CGEDLO Cc1cc(N2CCC(CC#N)CC2)nc(C2CCC2)[nH+]1 ZINC000893118379 618999171 /nfs/dbraw/zinc/99/91/71/618999171.db2.gz FRYNXNHXMHPSNM-UHFFFAOYSA-N 1 2 270.380 3.183 20 30 CGEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000893973930 619343276 /nfs/dbraw/zinc/34/32/76/619343276.db2.gz ZVUDNMYUSBBGIV-MNOVXSKESA-N 1 2 278.400 3.346 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cccc2c1NCCC2)C1CC1 ZINC000894086235 619366557 /nfs/dbraw/zinc/36/65/57/619366557.db2.gz ZRYZLNGJCWIODO-ZDUSSCGKSA-N 1 2 269.392 3.169 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc2c1NCCC2)C1CC1 ZINC000894086235 619366558 /nfs/dbraw/zinc/36/65/58/619366558.db2.gz ZRYZLNGJCWIODO-ZDUSSCGKSA-N 1 2 269.392 3.169 20 30 CGEDLO CC(C)OC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000895955203 619916677 /nfs/dbraw/zinc/91/66/77/619916677.db2.gz BTSFKDYYBLYBFW-UHFFFAOYSA-N 1 2 272.392 3.097 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCCC2CCOCC2)c1 ZINC000840706871 620086066 /nfs/dbraw/zinc/08/60/66/620086066.db2.gz MIGFZFMLQSRLKW-SFQUDFHCSA-N 1 2 277.364 3.027 20 30 CGEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000896983013 620117049 /nfs/dbraw/zinc/11/70/49/620117049.db2.gz XFUAZIYHBJUMKP-ZBFHGGJFSA-N 1 2 287.407 3.039 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(C#N)c1O ZINC000927030274 620564935 /nfs/dbraw/zinc/56/49/35/620564935.db2.gz SGZIMPWTNAGTAW-NQBHXWOUSA-N 1 2 276.405 3.199 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@H](COC)C(C)C)c1O ZINC000899228057 620627398 /nfs/dbraw/zinc/62/73/98/620627398.db2.gz XLRIWUPVOZIXBW-IREQLNLFSA-N 1 2 279.380 3.128 20 30 CGEDLO Oc1cccc(/C=[NH+]\CC[C@@H]2CCC3(CCC3)O2)c1O ZINC000899228049 620627460 /nfs/dbraw/zinc/62/74/60/620627460.db2.gz XKBNTXBGUJJSPD-MFVBVHDHSA-N 1 2 275.348 3.009 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(Cl)cc2F)[C@H]2CCCCN12 ZINC000901318839 620859227 /nfs/dbraw/zinc/85/92/27/620859227.db2.gz XLGHPEBKULZBBR-CYBMUJFWSA-N 1 2 295.745 3.032 20 30 CGEDLO C=CCCc1noc([C@@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904123850 621873777 /nfs/dbraw/zinc/87/37/77/621873777.db2.gz RQCPFVLCMKDOAD-LBPRGKRZSA-N 1 2 297.280 3.255 20 30 CGEDLO COc1ccc(CNc2ccc([NH+](C)C)cc2)cc1C#N ZINC000087823029 623245486 /nfs/dbraw/zinc/24/54/86/623245486.db2.gz ZAIWLTKEJMAWEH-UHFFFAOYSA-N 1 2 281.359 3.245 20 30 CGEDLO C=CC(C)(C)CC(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000913712656 623563696 /nfs/dbraw/zinc/56/36/96/623563696.db2.gz LIMNTYCIXZFYPW-UHFFFAOYSA-N 1 2 297.402 3.269 20 30 CGEDLO C=CCn1c2ccccc2n(C[N@@H+](C)C2CC2)c1=S ZINC000914783767 623859657 /nfs/dbraw/zinc/85/96/57/623859657.db2.gz FERPFKYJQHHBII-UHFFFAOYSA-N 1 2 273.405 3.410 20 30 CGEDLO C=CCn1c2ccccc2n(C[N@H+](C)C2CC2)c1=S ZINC000914783767 623859658 /nfs/dbraw/zinc/85/96/58/623859658.db2.gz FERPFKYJQHHBII-UHFFFAOYSA-N 1 2 273.405 3.410 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993698262 624059166 /nfs/dbraw/zinc/05/91/66/624059166.db2.gz ZLASAHGYJULHDZ-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993698262 624059167 /nfs/dbraw/zinc/05/91/67/624059167.db2.gz ZLASAHGYJULHDZ-OCCSQVGLSA-N 1 2 298.858 3.144 20 30 CGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2csc(C#N)c2)cs1 ZINC000921824984 625891713 /nfs/dbraw/zinc/89/17/13/625891713.db2.gz QOQZGEJKQXVXRW-VIFPVBQESA-N 1 2 293.417 3.073 20 30 CGEDLO C=C1CCC(CNC(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000922927883 626103006 /nfs/dbraw/zinc/10/30/06/626103006.db2.gz ZHWUXEKUXACXDA-UHFFFAOYSA-N 1 2 287.407 3.244 20 30 CGEDLO C=CCCC[C@H](C)OC(=O)c1ccc(N)c(-n2cc[nH+]c2)c1 ZINC000838098151 626190930 /nfs/dbraw/zinc/19/09/30/626190930.db2.gz VQPHURXGQZYILU-ZDUSSCGKSA-N 1 2 299.374 3.356 20 30 CGEDLO O=C1c2cc(F)cc(F)c2C/C1=C/c1c[nH+]c2ccccn12 ZINC000751534145 626394881 /nfs/dbraw/zinc/39/48/81/626394881.db2.gz BWBXBGOFJLVCOH-YHYXMXQVSA-N 1 2 296.276 3.435 20 30 CGEDLO CN1CCc2cc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000752713331 626435647 /nfs/dbraw/zinc/43/56/47/626435647.db2.gz MTCSVAVXBTVPCN-UHFFFAOYSA-N 1 2 296.330 3.033 20 30 CGEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753588525 626457262 /nfs/dbraw/zinc/45/72/62/626457262.db2.gz XBWHFTKZZWWWIP-SFHVURJKSA-N 1 2 282.387 3.214 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753588525 626457263 /nfs/dbraw/zinc/45/72/63/626457263.db2.gz XBWHFTKZZWWWIP-SFHVURJKSA-N 1 2 282.387 3.214 20 30 CGEDLO CCSc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000755606463 626631740 /nfs/dbraw/zinc/63/17/40/626631740.db2.gz FXJMUODRJYRYRR-BQYQJAHWSA-N 1 2 258.346 3.418 20 30 CGEDLO C#Cc1cccc(N(CC)Cc2cc(OC)cc(C)[nH+]2)c1 ZINC000757096250 626754837 /nfs/dbraw/zinc/75/48/37/626754837.db2.gz QLTNXAXKDUUYRN-UHFFFAOYSA-N 1 2 280.371 3.406 20 30 CGEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccccc1F ZINC000757475536 626782351 /nfs/dbraw/zinc/78/23/51/626782351.db2.gz SJZCUOYAZCIBOA-HJWRWDBZSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1=S ZINC000759001275 626869951 /nfs/dbraw/zinc/86/99/51/626869951.db2.gz VRJFVHIOUROHHP-GFCCVEGCSA-N 1 2 294.468 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1=S ZINC000759001275 626869954 /nfs/dbraw/zinc/86/99/54/626869954.db2.gz VRJFVHIOUROHHP-GFCCVEGCSA-N 1 2 294.468 3.234 20 30 CGEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N2CCCCC2)cc1 ZINC000761860303 627067723 /nfs/dbraw/zinc/06/77/23/627067723.db2.gz JRXLBUYYTFRLBL-UHFFFAOYSA-N 1 2 297.406 3.247 20 30 CGEDLO Cc1cc(C(N)=[NH+]OC/C(Cl)=C\Cl)ccc1F ZINC000763181261 627143867 /nfs/dbraw/zinc/14/38/67/627143867.db2.gz WSLJNJSTIFXOHE-WEVVVXLNSA-N 1 2 277.126 3.090 20 30 CGEDLO O=C1c2cc(F)ccc2O/C1=C/c1cccc2[nH+]ccn21 ZINC000769609969 627569099 /nfs/dbraw/zinc/56/90/99/627569099.db2.gz KINOUNNCGKJBRC-NTEUORMPSA-N 1 2 280.258 3.090 20 30 CGEDLO O=C1c2c(c(F)ccc2F)C/C1=C/c1cccc2[nH+]ccn21 ZINC000769616464 627569866 /nfs/dbraw/zinc/56/98/66/627569866.db2.gz YHVSKPYTLNTHAR-NTMALXAHSA-N 1 2 296.276 3.435 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000769962076 627593161 /nfs/dbraw/zinc/59/31/61/627593161.db2.gz AVRHXBMKRBKTCW-NSHDSACASA-N 1 2 258.752 3.342 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc2ccccc2nc1Cl ZINC000769962076 627593163 /nfs/dbraw/zinc/59/31/63/627593163.db2.gz AVRHXBMKRBKTCW-NSHDSACASA-N 1 2 258.752 3.342 20 30 CGEDLO O=C1c2ccc(F)cc2O/C1=C/c1cccc2[nH+]ccn21 ZINC000773173132 627864756 /nfs/dbraw/zinc/86/47/56/627864756.db2.gz QARGRAOGZJPDNR-NTEUORMPSA-N 1 2 280.258 3.090 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCC[C@H]2OC)c(O)c1 ZINC000774542569 628004359 /nfs/dbraw/zinc/00/43/59/628004359.db2.gz PEZQYRBGYWPKGV-SKGWSVGHSA-N 1 2 277.364 3.025 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000776192562 628178705 /nfs/dbraw/zinc/17/87/05/628178705.db2.gz RMIMGWLGZWURRQ-AATRIKPKSA-N 1 2 291.354 3.496 20 30 CGEDLO C=CCSc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000777075850 628247898 /nfs/dbraw/zinc/24/78/98/628247898.db2.gz IBNJXFZUXGKGLG-UHFFFAOYSA-N 1 2 288.372 3.018 20 30 CGEDLO c1ccc(N2CCC(=NOC3CCCCC3)CC2)[nH+]c1 ZINC000777456581 628272848 /nfs/dbraw/zinc/27/28/48/628272848.db2.gz CTJYBOKNFVQHJX-UHFFFAOYSA-N 1 2 273.380 3.387 20 30 CGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(OC)cn2)cc1 ZINC000780265976 628474668 /nfs/dbraw/zinc/47/46/68/628474668.db2.gz XEGWBGICZOAMRN-UHFFFAOYSA-N 1 2 298.390 3.382 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2Cl)nc1 ZINC000780555858 628499148 /nfs/dbraw/zinc/49/91/48/628499148.db2.gz JWIUNISGSZAGQI-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(C#N)o1)CCC2 ZINC000780763833 628515379 /nfs/dbraw/zinc/51/53/79/628515379.db2.gz DZNGMMYBGBYLPA-HNNXBMFYSA-N 1 2 284.363 3.096 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000782102740 628616195 /nfs/dbraw/zinc/61/61/95/628616195.db2.gz MUGGUZSDFCSYOJ-OAHLLOKOSA-N 1 2 297.320 3.492 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000782102740 628616198 /nfs/dbraw/zinc/61/61/98/628616198.db2.gz MUGGUZSDFCSYOJ-OAHLLOKOSA-N 1 2 297.320 3.492 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)o1 ZINC000125322680 634683951 /nfs/dbraw/zinc/68/39/51/634683951.db2.gz DUYSCKMAWDHTNH-VOTSOKGWSA-N 1 2 266.300 3.440 20 30 CGEDLO CCCCCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000875764320 634730321 /nfs/dbraw/zinc/73/03/21/634730321.db2.gz HAZGFQIBOXSZJY-UHFFFAOYSA-N 1 2 292.427 3.269 20 30 CGEDLO CCCCCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000875764320 634730328 /nfs/dbraw/zinc/73/03/28/634730328.db2.gz HAZGFQIBOXSZJY-UHFFFAOYSA-N 1 2 292.427 3.269 20 30 CGEDLO C=CCc1cc(C[N@@H+](CC=C)CCC#N)c(O)c(OC)c1 ZINC000793560843 629483969 /nfs/dbraw/zinc/48/39/69/629483969.db2.gz PTLFZRJYFWABDM-UHFFFAOYSA-N 1 2 286.375 3.031 20 30 CGEDLO C=CCc1cc(C[N@H+](CC=C)CCC#N)c(O)c(OC)c1 ZINC000793560843 629483971 /nfs/dbraw/zinc/48/39/71/629483971.db2.gz PTLFZRJYFWABDM-UHFFFAOYSA-N 1 2 286.375 3.031 20 30 CGEDLO CC(=[NH+]NCCC(F)(F)F)c1ccc(N)cc1Cl ZINC000794551619 629554870 /nfs/dbraw/zinc/55/48/70/629554870.db2.gz HHBSQBLBPYDOTH-UHFFFAOYSA-N 1 2 279.693 3.188 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C2/CCCC(C)(C)C2=O)s1 ZINC000794703168 629569276 /nfs/dbraw/zinc/56/92/76/629569276.db2.gz SVUAZHCPVLQEPC-FLIBITNWSA-N 1 2 278.421 3.367 20 30 CGEDLO C=C(C)CCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000795207042 629645319 /nfs/dbraw/zinc/64/53/19/629645319.db2.gz CXZKSVWOKPEQPE-UHFFFAOYSA-N 1 2 252.745 3.347 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OCC)cn1 ZINC000796641861 629809729 /nfs/dbraw/zinc/80/97/29/629809729.db2.gz VPNHZTDGBKZOMY-UHFFFAOYSA-N 1 2 280.371 3.116 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC)cn1 ZINC000796641861 629809733 /nfs/dbraw/zinc/80/97/33/629809733.db2.gz VPNHZTDGBKZOMY-UHFFFAOYSA-N 1 2 280.371 3.116 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC(C)(C)OC)c1 ZINC000864346885 629815079 /nfs/dbraw/zinc/81/50/79/629815079.db2.gz GETOHTHDGHFIAW-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C/[NH+]=C/c1ccc(OCC)cc1O ZINC000797784924 629981585 /nfs/dbraw/zinc/98/15/85/629981585.db2.gz ODISNTRJADEPAS-CGCYPQJHSA-N 1 2 289.375 3.191 20 30 CGEDLO Oc1ccc(/C=[NH+]/CCCCc2ccccc2)c(O)c1O ZINC000798068267 630019384 /nfs/dbraw/zinc/01/93/84/630019384.db2.gz DYOCIBKOBOSQBP-LDADJPATSA-N 1 2 285.343 3.245 20 30 CGEDLO CN1CCCc2cc([NH2+][C@H]3CC[C@@H](C#N)C3)ccc21 ZINC000799725162 630225430 /nfs/dbraw/zinc/22/54/30/630225430.db2.gz VCTPHIIKQLEWAF-OCCSQVGLSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@@H+]1CCCc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc21 ZINC000799725162 630225435 /nfs/dbraw/zinc/22/54/35/630225435.db2.gz VCTPHIIKQLEWAF-OCCSQVGLSA-N 1 2 255.365 3.173 20 30 CGEDLO C[N@H+]1CCCc2cc(N[C@H]3CC[C@@H](C#N)C3)ccc21 ZINC000799725162 630225440 /nfs/dbraw/zinc/22/54/40/630225440.db2.gz VCTPHIIKQLEWAF-OCCSQVGLSA-N 1 2 255.365 3.173 20 30 CGEDLO COc1cccc(/C=[NH+]/CCC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000801645632 630349339 /nfs/dbraw/zinc/34/93/39/630349339.db2.gz CXMXIKNHVZGPKD-ISIGILQNSA-N 1 2 291.391 3.413 20 30 CGEDLO CCCCCCC[C@@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000811860037 631128008 /nfs/dbraw/zinc/12/80/08/631128008.db2.gz DTUJZZPSXQWZHJ-CQSZACIVSA-N 1 2 294.443 3.216 20 30 CGEDLO CC(=[NH+]Nc1cc(C)cc(C)c1)c1csc(N)n1 ZINC000812435756 631260791 /nfs/dbraw/zinc/26/07/91/631260791.db2.gz URFBBKXNMXINDJ-UHFFFAOYSA-N 1 2 260.366 3.178 20 30 CGEDLO C#C[C@@H](Nc1nc(C)[nH+]c(C)c1C)c1ccc(F)cc1 ZINC000812486157 631267526 /nfs/dbraw/zinc/26/75/26/631267526.db2.gz FZXONIOPFDWFOE-OAHLLOKOSA-N 1 2 269.323 3.327 20 30 CGEDLO C=C(Br)C[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848676 631325411 /nfs/dbraw/zinc/32/54/11/631325411.db2.gz KYKZPWSIANHHFE-TZMCWYRMSA-N 1 2 298.224 3.339 20 30 CGEDLO C=C(Br)C[N@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848676 631325413 /nfs/dbraw/zinc/32/54/13/631325413.db2.gz KYKZPWSIANHHFE-TZMCWYRMSA-N 1 2 298.224 3.339 20 30 CGEDLO COc1ccc(F)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000814841173 631652841 /nfs/dbraw/zinc/65/28/41/631652841.db2.gz DYCWOXLJFDTPLS-UHFFFAOYSA-N 1 2 295.317 3.250 20 30 CGEDLO CCOc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000814985848 631702369 /nfs/dbraw/zinc/70/23/69/631702369.db2.gz VPAQUBQTDIQOHZ-UHFFFAOYSA-N 1 2 280.331 3.179 20 30 CGEDLO Cc1cc(CNc2snc(Cl)c2C#N)cc(C)[nH+]1 ZINC000817123227 632085022 /nfs/dbraw/zinc/08/50/22/632085022.db2.gz GOPRXCWCOQAELM-UHFFFAOYSA-N 1 2 278.768 3.292 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn(C)c1Cl ZINC000822526367 632964338 /nfs/dbraw/zinc/96/43/38/632964338.db2.gz TWLALDZGIKJEOU-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1Cl ZINC000822526367 632964344 /nfs/dbraw/zinc/96/43/44/632964344.db2.gz TWLALDZGIKJEOU-LLVKDONJSA-N 1 2 288.782 3.138 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(C#N)c1O ZINC000866256846 633047710 /nfs/dbraw/zinc/04/77/10/633047710.db2.gz ADBPBSAIENMBDK-ZDUSSCGKSA-N 1 2 295.386 3.181 20 30 CGEDLO C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(C#N)c1O ZINC000866278260 633062926 /nfs/dbraw/zinc/06/29/26/633062926.db2.gz OAQVFJPAPURMDV-CQSZACIVSA-N 1 2 296.370 3.131 20 30 CGEDLO COC1CCC(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866281043 633064137 /nfs/dbraw/zinc/06/41/37/633064137.db2.gz DPACPFDAKBUXPA-OPFPJEHXSA-N 1 2 288.391 3.120 20 30 CGEDLO CCOCCC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866311392 633076863 /nfs/dbraw/zinc/07/68/63/633076863.db2.gz ZUSFPTOWIRQBOO-CYBMUJFWSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(C#N)c1O ZINC000866355713 633097345 /nfs/dbraw/zinc/09/73/45/633097345.db2.gz BZSJUVLRRXYYMK-RYUDHWBXSA-N 1 2 276.405 3.058 20 30 CGEDLO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cccc(C#N)c1O ZINC000866383379 633114025 /nfs/dbraw/zinc/11/40/25/633114025.db2.gz KUYVGUFPKNSUTF-LLVKDONJSA-N 1 2 256.349 3.247 20 30 CGEDLO Cc1cnc(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)c1 ZINC000866385703 633115038 /nfs/dbraw/zinc/11/50/38/633115038.db2.gz YRAIFGSLUIAWFA-AWEZNQCLSA-N 1 2 295.386 3.169 20 30 CGEDLO CC(C)(C#N)c1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000828415749 633613172 /nfs/dbraw/zinc/61/31/72/633613172.db2.gz VOOVFVNIXOEGJL-UHFFFAOYSA-N 1 2 282.309 3.482 20 30 CGEDLO C#CC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1 ZINC000828687441 633642169 /nfs/dbraw/zinc/64/21/69/633642169.db2.gz KQRCIVVSCOXPBX-CQSZACIVSA-N 1 2 283.400 3.270 20 30 CGEDLO C=C[C@H](CC)CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000829914866 633809274 /nfs/dbraw/zinc/80/92/74/633809274.db2.gz ARPHEMDJFYHGSR-CQSZACIVSA-N 1 2 287.407 3.087 20 30 CGEDLO Cc1ccc(SCCCn2cc[nH+]c2)c(C#N)c1 ZINC000871687313 633824664 /nfs/dbraw/zinc/82/46/64/633824664.db2.gz XYKYKGGWWFPVDV-UHFFFAOYSA-N 1 2 257.362 3.246 20 30 CGEDLO C#CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000830316262 633848383 /nfs/dbraw/zinc/84/83/83/633848383.db2.gz KPQPKSSDQPKNKH-GFCCVEGCSA-N 1 2 290.794 3.012 20 30 CGEDLO N#Cc1cnc(Cl)c(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000877620421 635117076 /nfs/dbraw/zinc/11/70/76/635117076.db2.gz IIQUVFOGWQRAAF-UHFFFAOYSA-N 1 2 298.777 3.493 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000842629816 635421441 /nfs/dbraw/zinc/42/14/41/635421441.db2.gz RYJFBHJMVPCZMK-LLVKDONJSA-N 1 2 293.461 3.244 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(C3CC3)sc2=S)C1 ZINC000842629816 635421452 /nfs/dbraw/zinc/42/14/52/635421452.db2.gz RYJFBHJMVPCZMK-LLVKDONJSA-N 1 2 293.461 3.244 20 30 CGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000878819169 635636131 /nfs/dbraw/zinc/63/61/31/635636131.db2.gz ZMCRYUWDFCDCTI-STQMWFEESA-N 1 2 281.359 3.059 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843423971 635668413 /nfs/dbraw/zinc/66/84/13/635668413.db2.gz NBDIGEDDYNFCOD-GFCCVEGCSA-N 1 2 263.768 3.281 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843423971 635668414 /nfs/dbraw/zinc/66/84/14/635668414.db2.gz NBDIGEDDYNFCOD-GFCCVEGCSA-N 1 2 263.768 3.281 20 30 CGEDLO C=CCCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845286080 636020268 /nfs/dbraw/zinc/02/02/68/636020268.db2.gz UEJTUKGJPJKNLV-QWHCGFSZSA-N 1 2 250.342 3.122 20 30 CGEDLO CC(C)CCC(N=NCCCn1cc[nH+]c1)C1CC1 ZINC000848417321 636571215 /nfs/dbraw/zinc/57/12/15/636571215.db2.gz UOKCMRVOQUIKAG-UHFFFAOYSA-N 1 2 262.401 3.065 20 30 CGEDLO C[C@@H](C=NNCCCn1cc[nH+]c1)CCc1ccccc1 ZINC000848419037 636573435 /nfs/dbraw/zinc/57/34/35/636573435.db2.gz XPAIUXPYQYBBKR-MRXNPFEDSA-N 1 2 284.407 3.118 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(C#N)c1O ZINC000883358901 636702339 /nfs/dbraw/zinc/70/23/39/636702339.db2.gz SZFVBVBNJGVDQM-GXTWGEPZSA-N 1 2 286.375 3.016 20 30 CGEDLO COC[C@H](CC/[NH+]=C\c1c(O)ccc2ccccc21)OC ZINC000849170325 636762385 /nfs/dbraw/zinc/76/23/85/636762385.db2.gz OCBWAYCSBSLUGH-DZBQEORWSA-N 1 2 287.359 3.016 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCCOC(C)(C)C)c1O ZINC000849172665 636766495 /nfs/dbraw/zinc/76/64/95/636766495.db2.gz XEQHRVSZRZSMFP-SFQUDFHCSA-N 1 2 279.380 3.415 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccnc2Cl)CCCCC1 ZINC000850390722 637043782 /nfs/dbraw/zinc/04/37/82/637043782.db2.gz PTUHWBBEKIBDMQ-UHFFFAOYSA-N 1 2 263.772 3.299 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000852102249 637595319 /nfs/dbraw/zinc/59/53/19/637595319.db2.gz XRXFIOWQAOOKIM-INIZCTEOSA-N 1 2 287.338 3.076 20 30 CGEDLO CC(C)([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1F ZINC000886896939 637718341 /nfs/dbraw/zinc/71/83/41/637718341.db2.gz ZNCILDSYWXPOFQ-UHFFFAOYSA-N 1 2 287.313 3.256 20 30 CGEDLO C[C@@H]1CCCCN1[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000853379099 637827927 /nfs/dbraw/zinc/82/79/27/637827927.db2.gz DFGGHYDUCJHPMX-CQSZACIVSA-N 1 2 275.396 3.478 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)SC)c1cccc(C#N)c1O ZINC000925192709 638471821 /nfs/dbraw/zinc/47/18/21/638471821.db2.gz WPEWYLGQIBQRQI-CYBMUJFWSA-N 1 2 278.421 3.446 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(C#N)c1O ZINC000925465658 638506614 /nfs/dbraw/zinc/50/66/14/638506614.db2.gz IYADYSJFENVDIX-DOMZBBRYSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(C#N)c1O ZINC000926120145 638713218 /nfs/dbraw/zinc/71/32/18/638713218.db2.gz BGYPEQBCOPIIKD-GDBMZVCRSA-N 1 2 288.391 3.264 20 30 CGEDLO CC[C@@H]([NH2+]CC1(OC)CCCC1)c1cccc(C#N)c1O ZINC000926494914 638777613 /nfs/dbraw/zinc/77/76/13/638777613.db2.gz MCBJKKLQAGWXBX-OAHLLOKOSA-N 1 2 288.391 3.264 20 30 CGEDLO Cc1cc(C)[nH+]c(CN(CCC#N)Cc2ccco2)c1 ZINC000929773965 638949290 /nfs/dbraw/zinc/94/92/90/638949290.db2.gz GCNODWWDTYKVPI-UHFFFAOYSA-N 1 2 269.348 3.207 20 30 CGEDLO C=C(C)C[N@H+](Cc1noc2c1COCC2)Cc1ccccc1 ZINC000930274468 638987773 /nfs/dbraw/zinc/98/77/73/638987773.db2.gz WJFSFBZAQIMSPK-UHFFFAOYSA-N 1 2 298.386 3.326 20 30 CGEDLO C=C(C)C[N@@H+](Cc1noc2c1COCC2)Cc1ccccc1 ZINC000930274468 638987775 /nfs/dbraw/zinc/98/77/75/638987775.db2.gz WJFSFBZAQIMSPK-UHFFFAOYSA-N 1 2 298.386 3.326 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000933625188 639471314 /nfs/dbraw/zinc/47/13/14/639471314.db2.gz NVQVOOINYWCIPZ-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000933625188 639471319 /nfs/dbraw/zinc/47/13/19/639471319.db2.gz NVQVOOINYWCIPZ-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934465313 639613533 /nfs/dbraw/zinc/61/35/33/639613533.db2.gz SVVSQODGNNHSRN-SECBINFHSA-N 1 2 268.263 3.023 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934465313 639613541 /nfs/dbraw/zinc/61/35/41/639613541.db2.gz SVVSQODGNNHSRN-SECBINFHSA-N 1 2 268.263 3.023 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465037 639614327 /nfs/dbraw/zinc/61/43/27/639614327.db2.gz BXUMJSZAEXQJGL-JQWIXIFHSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000934465037 639614334 /nfs/dbraw/zinc/61/43/34/639614334.db2.gz BXUMJSZAEXQJGL-JQWIXIFHSA-N 1 2 296.773 3.457 20 30 CGEDLO C=CCCC[N@@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000934645993 639648931 /nfs/dbraw/zinc/64/89/31/639648931.db2.gz LYVQZFRLVLXSER-UHFFFAOYSA-N 1 2 290.407 3.305 20 30 CGEDLO C=CCCC[N@H+](CC)CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000934645993 639648936 /nfs/dbraw/zinc/64/89/36/639648936.db2.gz LYVQZFRLVLXSER-UHFFFAOYSA-N 1 2 290.407 3.305 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836029 639685711 /nfs/dbraw/zinc/68/57/11/639685711.db2.gz YITLXJMBBUVDAX-RCCFBDPRSA-N 1 2 284.403 3.390 20 30 CGEDLO N#C[C@H](c1ccccc1)[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836029 639685716 /nfs/dbraw/zinc/68/57/16/639685716.db2.gz YITLXJMBBUVDAX-RCCFBDPRSA-N 1 2 284.403 3.390 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2ccccc2Cl)cc1 ZINC000048610495 640061561 /nfs/dbraw/zinc/06/15/61/640061561.db2.gz ZLIVKKVFPCRWTJ-UHFFFAOYSA-N 1 2 290.750 3.186 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006936942 640938255 /nfs/dbraw/zinc/93/82/55/640938255.db2.gz FSIJPQPFLSLJDP-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006936942 640938257 /nfs/dbraw/zinc/93/82/57/640938257.db2.gz FSIJPQPFLSLJDP-OAHLLOKOSA-N 1 2 296.842 3.210 20 30 CGEDLO COc1cc(C[N@H+](C)CCC#N)cc2c1NC(C)(C)C=C2 ZINC001250478811 805642758 /nfs/dbraw/zinc/64/27/58/805642758.db2.gz XQOPVJCDZUSWIE-UHFFFAOYSA-N 1 2 285.391 3.258 20 30 CGEDLO COc1cc(C[N@@H+](C)CCC#N)cc2c1NC(C)(C)C=C2 ZINC001250478811 805642763 /nfs/dbraw/zinc/64/27/63/805642763.db2.gz XQOPVJCDZUSWIE-UHFFFAOYSA-N 1 2 285.391 3.258 20 30 CGEDLO CSCc1ccc(NCc2ccccc2C#N)[nH+]c1 ZINC001156790444 805736889 /nfs/dbraw/zinc/73/68/89/805736889.db2.gz CVLHJVSMLMXYOQ-UHFFFAOYSA-N 1 2 269.373 3.428 20 30 CGEDLO C=CCN(c1cc(N2CCCCC2)[nH+]cn1)C(C)(C)C ZINC001157585803 805839465 /nfs/dbraw/zinc/83/94/65/805839465.db2.gz SNJCDHBWKNNIBB-UHFFFAOYSA-N 1 2 274.412 3.258 20 30 CGEDLO C=CCN(c1cc(N2CCCCC2)nc[nH+]1)C(C)(C)C ZINC001157585803 805839473 /nfs/dbraw/zinc/83/94/73/805839473.db2.gz SNJCDHBWKNNIBB-UHFFFAOYSA-N 1 2 274.412 3.258 20 30 CGEDLO C=CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C(C)(C)C ZINC001157584993 805840385 /nfs/dbraw/zinc/84/03/85/805840385.db2.gz RJFHTGFFGJDDOV-UHFFFAOYSA-N 1 2 276.380 3.276 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@@H]2CCNc3ccccc32)c1 ZINC001157837830 805882660 /nfs/dbraw/zinc/88/26/60/805882660.db2.gz SRSRMINIXOKUKY-OAHLLOKOSA-N 1 2 264.332 3.116 20 30 CGEDLO Cc1cc(F)ccc1N[NH+]=Cc1cnc(N(C)C)s1 ZINC001253647292 806275485 /nfs/dbraw/zinc/27/54/85/806275485.db2.gz WWQSPDHINUBSPP-UHFFFAOYSA-N 1 2 278.356 3.103 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001255174137 806569193 /nfs/dbraw/zinc/56/91/93/806569193.db2.gz RXLCCXHNOPSPIW-XGUBFFRZSA-N 1 2 292.423 3.121 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001255174137 806569198 /nfs/dbraw/zinc/56/91/98/806569198.db2.gz RXLCCXHNOPSPIW-XGUBFFRZSA-N 1 2 292.423 3.121 20 30 CGEDLO C#CC1(Nc2[nH+]ccc3[nH]cc(C#N)c32)CCCCC1 ZINC001162480204 806596659 /nfs/dbraw/zinc/59/66/59/806596659.db2.gz YJSJQWBYPFUHME-UHFFFAOYSA-N 1 2 264.332 3.183 20 30 CGEDLO N#Cc1cc(NCc2ccc3[nH+]ccn3c2)nc2ccccc12 ZINC001163140802 806706452 /nfs/dbraw/zinc/70/64/52/806706452.db2.gz LVCLYXMJTAHMCI-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO C=C(C)CNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001163375583 806753756 /nfs/dbraw/zinc/75/37/56/806753756.db2.gz DVDBFBYTAILVHW-YZILGEIOSA-N 1 2 293.436 3.259 20 30 CGEDLO C#CCCC1(CCNc2cc(SC)cc[nH+]2)N=N1 ZINC001163381074 806755942 /nfs/dbraw/zinc/75/59/42/806755942.db2.gz PNGYWOGPXMFUDO-UHFFFAOYSA-N 1 2 260.366 3.181 20 30 CGEDLO C#CCCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000692933235 799805060 /nfs/dbraw/zinc/80/50/60/799805060.db2.gz FCTDVWFHSCZZEW-UHFFFAOYSA-N 1 2 267.332 3.004 20 30 CGEDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721571506 800294502 /nfs/dbraw/zinc/29/45/02/800294502.db2.gz GRYJRUABFASYHZ-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721571506 800294504 /nfs/dbraw/zinc/29/45/04/800294504.db2.gz GRYJRUABFASYHZ-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1cccc(C#N)c1O ZINC000822658631 800463291 /nfs/dbraw/zinc/46/32/91/800463291.db2.gz FWGLPROXVSBOCD-DOMZBBRYSA-N 1 2 298.390 3.282 20 30 CGEDLO COc1ccccc1CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866215812 800531102 /nfs/dbraw/zinc/53/11/02/800531102.db2.gz BQMIDLQSUFTCHI-CYBMUJFWSA-N 1 2 296.370 3.166 20 30 CGEDLO C[C@H](CC(C)(C)C#N)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000925725467 800633308 /nfs/dbraw/zinc/63/33/08/800633308.db2.gz UKQAURVEKSNPKN-CQSZACIVSA-N 1 2 287.407 3.263 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326112 800724896 /nfs/dbraw/zinc/72/48/96/800724896.db2.gz HKUAKPBONKZJJY-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024326112 800724898 /nfs/dbraw/zinc/72/48/98/800724898.db2.gz HKUAKPBONKZJJY-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964000 800945383 /nfs/dbraw/zinc/94/53/83/800945383.db2.gz OFMMKHUQJFGJTK-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964000 800945390 /nfs/dbraw/zinc/94/53/90/800945390.db2.gz OFMMKHUQJFGJTK-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034085797 801002243 /nfs/dbraw/zinc/00/22/43/801002243.db2.gz PPFNIXNVYROKAR-LBPRGKRZSA-N 1 2 298.839 3.085 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034085797 801002250 /nfs/dbraw/zinc/00/22/50/801002250.db2.gz PPFNIXNVYROKAR-LBPRGKRZSA-N 1 2 298.839 3.085 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H](F)C(F)(F)C3)c12 ZINC001164063489 806884064 /nfs/dbraw/zinc/88/40/64/806884064.db2.gz MYRCGDGMLBZQKK-LLVKDONJSA-N 1 2 294.280 3.008 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001039821503 801166890 /nfs/dbraw/zinc/16/68/90/801166890.db2.gz SNUDMQNZLOAZCK-SOUVJXGZSA-N 1 2 296.430 3.012 20 30 CGEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001039821503 801166893 /nfs/dbraw/zinc/16/68/93/801166893.db2.gz SNUDMQNZLOAZCK-SOUVJXGZSA-N 1 2 296.430 3.012 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084841867 801672711 /nfs/dbraw/zinc/67/27/11/801672711.db2.gz PHLKVTQFRPRZKG-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084841867 801672713 /nfs/dbraw/zinc/67/27/13/801672713.db2.gz PHLKVTQFRPRZKG-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088835124 801809544 /nfs/dbraw/zinc/80/95/44/801809544.db2.gz FUBOVSBYRAMUCQ-HIFRSBDPSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088835124 801809551 /nfs/dbraw/zinc/80/95/51/801809551.db2.gz FUBOVSBYRAMUCQ-HIFRSBDPSA-N 1 2 296.842 3.064 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109769723 802125084 /nfs/dbraw/zinc/12/50/84/802125084.db2.gz QJSBTOTXMKVVQX-RDBSUJKOSA-N 1 2 296.842 3.063 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109769723 802125088 /nfs/dbraw/zinc/12/50/88/802125088.db2.gz QJSBTOTXMKVVQX-RDBSUJKOSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCC)C2 ZINC001110376100 802137869 /nfs/dbraw/zinc/13/78/69/802137869.db2.gz GONSCSMXOJUKJG-NGFQHRJXSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCC)C2 ZINC001110376100 802137875 /nfs/dbraw/zinc/13/78/75/802137875.db2.gz GONSCSMXOJUKJG-NGFQHRJXSA-N 1 2 298.858 3.287 20 30 CGEDLO CCOC(=O)c1c[nH+]c(C2=CC[C@H](C#N)CC2)cc1N(C)C ZINC001243788448 803006458 /nfs/dbraw/zinc/00/64/58/803006458.db2.gz CSYRJLJOTPJFRJ-LBPRGKRZSA-N 1 2 299.374 3.031 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131824860 803347752 /nfs/dbraw/zinc/34/77/52/803347752.db2.gz DPJSTRBNHCDNGT-ZIAGYGMSSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131824860 803347760 /nfs/dbraw/zinc/34/77/60/803347760.db2.gz DPJSTRBNHCDNGT-ZIAGYGMSSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138666400 803998797 /nfs/dbraw/zinc/99/87/97/803998797.db2.gz RCAFFUCILXCJPX-HZPDHXFCSA-N 1 2 273.376 3.005 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001138666400 803998799 /nfs/dbraw/zinc/99/87/99/803998799.db2.gz RCAFFUCILXCJPX-HZPDHXFCSA-N 1 2 273.376 3.005 20 30 CGEDLO CCCCc1nc(Cl)c(C[NH+]2CCC(S)CC2)[nH]1 ZINC001139179596 804152224 /nfs/dbraw/zinc/15/22/24/804152224.db2.gz UCDNSTVSZYFYJI-UHFFFAOYSA-N 1 2 287.860 3.300 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C2(C#N)CC2)cc1 ZINC001212256409 814998526 /nfs/dbraw/zinc/99/85/26/814998526.db2.gz QHLYIFHUNRPMGK-UHFFFAOYSA-N 1 2 288.354 3.471 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cccc2nc[nH]c21 ZINC001142686662 804755951 /nfs/dbraw/zinc/75/59/51/804755951.db2.gz GTMAHBCSACORGM-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cccc2nc[nH]c21 ZINC001142686662 804755956 /nfs/dbraw/zinc/75/59/56/804755956.db2.gz GTMAHBCSACORGM-UHFFFAOYSA-N 1 2 256.353 3.079 20 30 CGEDLO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1nccs1 ZINC001142922860 804784716 /nfs/dbraw/zinc/78/47/16/804784716.db2.gz YPMQCRCKHTWBLB-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1nccs1 ZINC001142922860 804784719 /nfs/dbraw/zinc/78/47/19/804784719.db2.gz YPMQCRCKHTWBLB-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1F ZINC001143276167 804830448 /nfs/dbraw/zinc/83/04/48/804830448.db2.gz HMFVEPZZBNPLJF-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1F ZINC001143276167 804830456 /nfs/dbraw/zinc/83/04/56/804830456.db2.gz HMFVEPZZBNPLJF-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO C[N@H+](CCc1cccnc1)Cc1c(Cl)cccc1C#N ZINC001143726051 804888013 /nfs/dbraw/zinc/88/80/13/804888013.db2.gz DASWLIADGKUISJ-UHFFFAOYSA-N 1 2 285.778 3.281 20 30 CGEDLO C[N@@H+](CCc1cccnc1)Cc1c(Cl)cccc1C#N ZINC001143726051 804888019 /nfs/dbraw/zinc/88/80/19/804888019.db2.gz DASWLIADGKUISJ-UHFFFAOYSA-N 1 2 285.778 3.281 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001143718871 804888163 /nfs/dbraw/zinc/88/81/63/804888163.db2.gz PVCXFYDPUIFQCQ-PWSUYJOCSA-N 1 2 282.721 3.299 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001143718871 804888168 /nfs/dbraw/zinc/88/81/68/804888168.db2.gz PVCXFYDPUIFQCQ-PWSUYJOCSA-N 1 2 282.721 3.299 20 30 CGEDLO Cc1c(C[NH+]2CC(CC#N)C2)cccc1C(F)(F)F ZINC001143917569 804905556 /nfs/dbraw/zinc/90/55/56/804905556.db2.gz KFBSUAYSQVBWGM-UHFFFAOYSA-N 1 2 268.282 3.359 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257078982 807044215 /nfs/dbraw/zinc/04/42/15/807044215.db2.gz WAFWMDFAPBIYLW-GJZGRUSLSA-N 1 2 299.455 3.436 20 30 CGEDLO C[C@@H](C#N)c1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC001148607519 805198577 /nfs/dbraw/zinc/19/85/77/805198577.db2.gz GZYVEGVBUYFZLL-LBPRGKRZSA-N 1 2 290.326 3.214 20 30 CGEDLO CCOc1cc(C)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001250187970 805475517 /nfs/dbraw/zinc/47/55/17/805475517.db2.gz SIHDTXGSEURBRD-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1cc(C)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001250187970 805475522 /nfs/dbraw/zinc/47/55/22/805475522.db2.gz SIHDTXGSEURBRD-INIZCTEOSA-N 1 2 258.365 3.129 20 30 CGEDLO N#CC[C@@H]1CCCN(c2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001166740990 807090308 /nfs/dbraw/zinc/09/03/08/807090308.db2.gz WLXJXHDHLIRJFN-ZDUSSCGKSA-N 1 2 276.343 3.237 20 30 CGEDLO CCSc1cc[nH+]c(N2CCC[C@H](CC#N)C2)c1 ZINC001166742751 807091333 /nfs/dbraw/zinc/09/13/33/807091333.db2.gz RRRYBIJOYGTJCU-GFCCVEGCSA-N 1 2 261.394 3.324 20 30 CGEDLO Cc1cc2[nH]ccc2c(N(CC#N)Cc2ccccc2)[nH+]1 ZINC001166992834 807123002 /nfs/dbraw/zinc/12/30/02/807123002.db2.gz XETPNKWHQNICQA-UHFFFAOYSA-N 1 2 276.343 3.402 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC(c4cccnc4)C3)c2c1 ZINC001167066918 807142351 /nfs/dbraw/zinc/14/23/51/807142351.db2.gz JLINKPADCPDJJM-UHFFFAOYSA-N 1 2 286.338 3.105 20 30 CGEDLO C[Si](C)(C)c1ccc[nH+]c1NCc1ccccc1C#N ZINC001167633174 807220261 /nfs/dbraw/zinc/22/02/61/807220261.db2.gz IKPPYVJFBBEOTQ-UHFFFAOYSA-N 1 2 281.435 3.111 20 30 CGEDLO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@@H](C)C1 ZINC001258160212 807328259 /nfs/dbraw/zinc/32/82/59/807328259.db2.gz RHPJYEPQNNOGOF-UVLXDEKHSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@H]1C[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@@H](C)C1 ZINC001258160212 807328268 /nfs/dbraw/zinc/32/82/68/807328268.db2.gz RHPJYEPQNNOGOF-UVLXDEKHSA-N 1 2 265.422 3.085 20 30 CGEDLO CCCCCCCCC[C@@H](C)[NH2+][C@@H](C(=O)OC)[C@@H](C)O ZINC001258230905 807378660 /nfs/dbraw/zinc/37/86/60/807378660.db2.gz DVWUMXXHFGRTOF-RBSFLKMASA-N 1 2 287.444 3.028 20 30 CGEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258412586 807444500 /nfs/dbraw/zinc/44/45/00/807444500.db2.gz QSZXOQKOENQNJF-QGZVFWFLSA-N 1 2 289.398 3.322 20 30 CGEDLO CC[C@@H](C#N)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169282491 807621471 /nfs/dbraw/zinc/62/14/71/807621471.db2.gz CNWGQJAKYXFXRB-FHERZECASA-N 1 2 286.375 3.046 20 30 CGEDLO COc1ccc2cc(NCC(C)(C)S)[nH+]cc2c1 ZINC001170302245 807822207 /nfs/dbraw/zinc/82/22/07/807822207.db2.gz BHUUDVUQJDJHAO-UHFFFAOYSA-N 1 2 262.378 3.364 20 30 CGEDLO C(#Cc1ccccc1)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001170429576 807840655 /nfs/dbraw/zinc/84/06/55/807840655.db2.gz KGLIHSKYNKQTQK-UHFFFAOYSA-N 1 2 287.366 3.395 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700902 807877954 /nfs/dbraw/zinc/87/79/54/807877954.db2.gz OJGUCIISVAXZRS-FZMZJTMJSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170700902 807877961 /nfs/dbraw/zinc/87/79/61/807877961.db2.gz OJGUCIISVAXZRS-FZMZJTMJSA-N 1 2 276.330 3.058 20 30 CGEDLO Cc1cc(NCCOc2ccc(C#N)cc2)c[nH+]c1C ZINC001171483817 808072613 /nfs/dbraw/zinc/07/26/13/808072613.db2.gz CUQCVHKGXOZAEK-UHFFFAOYSA-N 1 2 267.332 3.061 20 30 CGEDLO CC(C)OCC[C@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172442680 808317527 /nfs/dbraw/zinc/31/75/27/808317527.db2.gz JBENJTZEDBVIMA-HNNXBMFYSA-N 1 2 275.396 3.001 20 30 CGEDLO CC(C)OCC[C@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172442680 808317534 /nfs/dbraw/zinc/31/75/34/808317534.db2.gz JBENJTZEDBVIMA-HNNXBMFYSA-N 1 2 275.396 3.001 20 30 CGEDLO C[C@@H](CCCC#N)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172497972 808355139 /nfs/dbraw/zinc/35/51/39/808355139.db2.gz HZJHEMJNJZNWDK-AWEZNQCLSA-N 1 2 280.375 3.270 20 30 CGEDLO C[C@@H](CCCC#N)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172497972 808355148 /nfs/dbraw/zinc/35/51/48/808355148.db2.gz HZJHEMJNJZNWDK-AWEZNQCLSA-N 1 2 280.375 3.270 20 30 CGEDLO C=CCOC1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001173312742 808607321 /nfs/dbraw/zinc/60/73/21/808607321.db2.gz LOINAZOLKACQBN-NRXISQOPSA-N 1 2 250.386 3.028 20 30 CGEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](C#N)CC(C)C)CC2 ZINC001173603439 808652315 /nfs/dbraw/zinc/65/23/15/808652315.db2.gz FGOMYEXLKLCFLI-DGNOSDGRSA-N 1 2 292.423 3.026 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)CCC ZINC001275911588 808975514 /nfs/dbraw/zinc/97/55/14/808975514.db2.gz COMHNEPSCAPBLH-LBPRGKRZSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)CCC ZINC001275911588 808975520 /nfs/dbraw/zinc/97/55/20/808975520.db2.gz COMHNEPSCAPBLH-LBPRGKRZSA-N 1 2 274.836 3.002 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(Cl)c(C#N)c1 ZINC001174403886 808998715 /nfs/dbraw/zinc/99/87/15/808998715.db2.gz YOBCRAFAVFZPFM-UHFFFAOYSA-N 1 2 282.734 3.441 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1ccc(C)o1)C(C)C ZINC001278895080 809154056 /nfs/dbraw/zinc/15/40/56/809154056.db2.gz ZUCZFAXYACSVQK-UHFFFAOYSA-N 1 2 298.814 3.123 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1ccc(C)o1)C(C)C ZINC001278895080 809154058 /nfs/dbraw/zinc/15/40/58/809154058.db2.gz ZUCZFAXYACSVQK-UHFFFAOYSA-N 1 2 298.814 3.123 20 30 CGEDLO N#Cc1c(F)cccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175712936 809517177 /nfs/dbraw/zinc/51/71/77/809517177.db2.gz NYWUVSGOZNVAGA-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284290 810101819 /nfs/dbraw/zinc/10/18/19/810101819.db2.gz GBHOBSNYYJKXDG-DOMZBBRYSA-N 1 2 297.320 3.143 20 30 CGEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284290 810101823 /nfs/dbraw/zinc/10/18/23/810101823.db2.gz GBHOBSNYYJKXDG-DOMZBBRYSA-N 1 2 297.320 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001195210979 811226659 /nfs/dbraw/zinc/22/66/59/811226659.db2.gz QQCXVMPWGPPGCC-ZDUSSCGKSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001195210979 811226666 /nfs/dbraw/zinc/22/66/66/811226666.db2.gz QQCXVMPWGPPGCC-ZDUSSCGKSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCC(C)(C)C)CC1 ZINC001197484277 811424805 /nfs/dbraw/zinc/42/48/05/811424805.db2.gz CSUUXHTXAUNQCX-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCC(C)(C)C)CC1 ZINC001197484277 811424813 /nfs/dbraw/zinc/42/48/13/811424813.db2.gz CSUUXHTXAUNQCX-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844413 811547112 /nfs/dbraw/zinc/54/71/12/811547112.db2.gz LNHWGVOYDSTUPP-GXFFZTMASA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cc(F)cc(F)c3C2)C1 ZINC001198844413 811547117 /nfs/dbraw/zinc/54/71/17/811547117.db2.gz LNHWGVOYDSTUPP-GXFFZTMASA-N 1 2 262.303 3.015 20 30 CGEDLO COc1ccc(Nc2cccn3cc(C)[nH+]c23)cc1C#N ZINC001214995397 815473779 /nfs/dbraw/zinc/47/37/79/815473779.db2.gz BXWUCPSQIGTIPP-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(F)c2Cl)cc[nH+]1 ZINC001215399494 815516346 /nfs/dbraw/zinc/51/63/46/815516346.db2.gz GILJUOUSHHDKIM-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO CNc1ccc(Nc2c(C)ccc(C)c2C#N)c[nH+]1 ZINC001203462523 812368788 /nfs/dbraw/zinc/36/87/88/812368788.db2.gz WGKYCXIBAMFZDF-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO CCOC(=O)c1c(C)oc(Nc2cc(C)c[nH+]c2C)c1C#N ZINC001203657087 812418370 /nfs/dbraw/zinc/41/83/70/812418370.db2.gz IPTVOFAYOVJTLL-UHFFFAOYSA-N 1 2 299.330 3.392 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccccc1OCc1ccccc1 ZINC001204335670 812616658 /nfs/dbraw/zinc/61/66/58/812616658.db2.gz LXCBLYRNFXIQMA-UHFFFAOYSA-N 1 2 289.378 3.334 20 30 CGEDLO N#Cc1ccc(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204982619 812807232 /nfs/dbraw/zinc/80/72/32/812807232.db2.gz AMELCOTXTLZAPU-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO CC1(C[N@H+](CCC#N)Cc2ccc(Cl)cc2)COC1 ZINC001207801123 813653943 /nfs/dbraw/zinc/65/39/43/813653943.db2.gz FMWXJMBKDKLZRD-UHFFFAOYSA-N 1 2 278.783 3.092 20 30 CGEDLO CC1(C[N@@H+](CCC#N)Cc2ccc(Cl)cc2)COC1 ZINC001207801123 813653944 /nfs/dbraw/zinc/65/39/44/813653944.db2.gz FMWXJMBKDKLZRD-UHFFFAOYSA-N 1 2 278.783 3.092 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[NH+]2CC(Oc3cccnc3)C2)CC1 ZINC001208177613 813729477 /nfs/dbraw/zinc/72/94/77/813729477.db2.gz VUNABSRNASYHHF-MRXNPFEDSA-N 1 2 284.403 3.447 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C#N)cc1OC ZINC001209272637 813990839 /nfs/dbraw/zinc/99/08/39/813990839.db2.gz TZQRCWGGSAVTGO-UHFFFAOYSA-N 1 2 269.304 3.104 20 30 CGEDLO C=CCCCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209438048 814036712 /nfs/dbraw/zinc/03/67/12/814036712.db2.gz DEMOFMPKZQHKCR-AWEZNQCLSA-N 1 2 275.383 3.463 20 30 CGEDLO C=CCCCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209438048 814036717 /nfs/dbraw/zinc/03/67/17/814036717.db2.gz DEMOFMPKZQHKCR-AWEZNQCLSA-N 1 2 275.383 3.463 20 30 CGEDLO Cc1cc(Nc2ccc(C#N)nc2)ccc1[NH+](C)C ZINC001210039869 814258742 /nfs/dbraw/zinc/25/87/42/814258742.db2.gz DSGPWWBQRNZHNF-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO Cc1cc(Nc2ccc[nH+]c2N2CCCCC2)cnc1C#N ZINC001210201009 814335318 /nfs/dbraw/zinc/33/53/18/814335318.db2.gz JIXACAJUOMZMBN-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO Cc1nc(C#N)c(Nc2cccc3cc[nH+]cc32)o1 ZINC001210224052 814351115 /nfs/dbraw/zinc/35/11/15/814351115.db2.gz BTCGFFXIIAWFBM-UHFFFAOYSA-N 1 2 250.261 3.147 20 30 CGEDLO Cc1[nH+]cc(Nc2cc(C#N)cn2C(C)(C)C)cc1N ZINC001210287520 814382647 /nfs/dbraw/zinc/38/26/47/814382647.db2.gz VXQOTFLHIPMXJT-UHFFFAOYSA-N 1 2 269.352 3.144 20 30 CGEDLO Cc1[nH+]cc(Nc2ccc(C#N)c(Cl)c2F)cc1N ZINC001210291661 814387430 /nfs/dbraw/zinc/38/74/30/814387430.db2.gz PPUFXUKGZFTCFL-UHFFFAOYSA-N 1 2 276.702 3.380 20 30 CGEDLO C[C@@H]1CC(=O)C=C(Nc2cn3c(cccc3Cl)[nH+]2)C1 ZINC001210771451 814616840 /nfs/dbraw/zinc/61/68/40/814616840.db2.gz NOKRNHWHGUDHPB-VIFPVBQESA-N 1 2 275.739 3.283 20 30 CGEDLO COc1cc(Nc2c(C)cccc2C#N)cc(C)[nH+]1 ZINC001210780773 814628175 /nfs/dbraw/zinc/62/81/75/814628175.db2.gz RJUAAHQIOVXSKA-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1c(C#N)cccc1Nc1[nH+]cccc1N(C)C ZINC001216176307 815721254 /nfs/dbraw/zinc/72/12/54/815721254.db2.gz KJFITDMSQJRKAI-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO C=CCCCCCCCCCO[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001217823532 815970648 /nfs/dbraw/zinc/97/06/48/815970648.db2.gz ZQZMCXAHVFVQEJ-CVEARBPZSA-N 1 2 297.439 3.213 20 30 CGEDLO Cc1cc[nH+]c(C)c1O[C@@H](C#N)c1cccc(F)c1 ZINC001227262668 817612131 /nfs/dbraw/zinc/61/21/31/817612131.db2.gz UTASSCDMSBHMFH-AWEZNQCLSA-N 1 2 256.280 3.481 20 30 CGEDLO C=C[C@@H](CC(=O)OC(C)(C)C)Oc1c(C)cc[nH+]c1C ZINC001227264307 817612569 /nfs/dbraw/zinc/61/25/69/817612569.db2.gz LGDYHQWMVVQDPH-ZDUSSCGKSA-N 1 2 277.364 3.364 20 30 CGEDLO C[NH+]1CC(Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231199371 818056152 /nfs/dbraw/zinc/05/61/52/818056152.db2.gz BSWRWLKWGBXCAR-WOJGMQOQSA-N 1 2 266.344 3.130 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231736271 818164570 /nfs/dbraw/zinc/16/45/70/818164570.db2.gz GXLMERHDLIOUDR-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)CC1 ZINC001231964467 818217765 /nfs/dbraw/zinc/21/77/65/818217765.db2.gz VREKXDCKGMAOHS-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)CC1 ZINC001231964467 818217769 /nfs/dbraw/zinc/21/77/69/818217769.db2.gz VREKXDCKGMAOHS-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(C#N)c1 ZINC001232961904 818483909 /nfs/dbraw/zinc/48/39/09/818483909.db2.gz JFVFVVCWIIUGTC-UHFFFAOYSA-N 1 2 262.303 3.098 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001233047331 818509128 /nfs/dbraw/zinc/50/91/28/818509128.db2.gz WPVFZXRLEPVEFS-HNNXBMFYSA-N 1 2 298.415 3.038 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001233047331 818509134 /nfs/dbraw/zinc/50/91/34/818509134.db2.gz WPVFZXRLEPVEFS-HNNXBMFYSA-N 1 2 298.415 3.038 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001233047642 818510175 /nfs/dbraw/zinc/51/01/75/818510175.db2.gz GJAZNJJEMOXJOT-KRWDZBQOSA-N 1 2 295.386 3.068 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001233047642 818510179 /nfs/dbraw/zinc/51/01/79/818510179.db2.gz GJAZNJJEMOXJOT-KRWDZBQOSA-N 1 2 295.386 3.068 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001233107906 818522793 /nfs/dbraw/zinc/52/27/93/818522793.db2.gz PXRWMQQQGBQYNF-UHFFFAOYSA-N 1 2 296.197 3.461 20 30 CGEDLO COc1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001233343590 818590929 /nfs/dbraw/zinc/59/09/29/818590929.db2.gz SNWNDBMHNBDSKD-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001233343590 818590933 /nfs/dbraw/zinc/59/09/33/818590933.db2.gz SNWNDBMHNBDSKD-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001235533090 819117106 /nfs/dbraw/zinc/11/71/06/819117106.db2.gz RAUIUXYEHJFARR-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001235533090 819117111 /nfs/dbraw/zinc/11/71/11/819117111.db2.gz RAUIUXYEHJFARR-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO N#CCC[N@@H+](Cc1ccnc(OC(F)F)c1)C1CCCC1 ZINC001237614116 819787300 /nfs/dbraw/zinc/78/73/00/819787300.db2.gz JTXJGINGLOXDMU-UHFFFAOYSA-N 1 2 295.333 3.341 20 30 CGEDLO N#CCC[N@H+](Cc1ccnc(OC(F)F)c1)C1CCCC1 ZINC001237614116 819787301 /nfs/dbraw/zinc/78/73/01/819787301.db2.gz JTXJGINGLOXDMU-UHFFFAOYSA-N 1 2 295.333 3.341 20 30 CGEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)cn1 ZINC001238355502 819979026 /nfs/dbraw/zinc/97/90/26/819979026.db2.gz WFRRRCRJHJPVJE-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)cn1 ZINC001238355502 819979030 /nfs/dbraw/zinc/97/90/30/819979030.db2.gz WFRRRCRJHJPVJE-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001238768423 820113215 /nfs/dbraw/zinc/11/32/15/820113215.db2.gz WDQJSTKYAOWYPW-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001238768423 820113221 /nfs/dbraw/zinc/11/32/21/820113221.db2.gz WDQJSTKYAOWYPW-AWEZNQCLSA-N 1 2 258.365 3.048 20 30 CGEDLO Cc1nc(-c2ccc(Cn3cc[nH+]c3)cc2)ccc1CC#N ZINC001243655669 823475673 /nfs/dbraw/zinc/47/56/73/823475673.db2.gz DJRQRCNFGPEUDM-UHFFFAOYSA-N 1 2 288.354 3.368 20 30 CGEDLO CN(C)/C=N/c1ccc(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001240218974 820894078 /nfs/dbraw/zinc/89/40/78/820894078.db2.gz SDBYMAVFWQCIAQ-UDWIEESQSA-N 1 2 289.342 3.094 20 30 CGEDLO COc1cc(C)c(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cn1 ZINC001241769117 822137628 /nfs/dbraw/zinc/13/76/28/822137628.db2.gz JWCYXPWBMDFYDK-RGVLZGJSSA-N 1 2 294.358 3.159 20 30 CGEDLO Cc1cc(N2Cc3ccc(C#N)cc3C2)nc(C2CCC2)[nH+]1 ZINC001343169413 936489696 /nfs/dbraw/zinc/48/96/96/936489696.db2.gz FPKSUKAQPLREBC-UHFFFAOYSA-N 1 2 290.370 3.444 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1c(C)cnn1COC ZINC001351949319 937029538 /nfs/dbraw/zinc/02/95/38/937029538.db2.gz QUNCKWVVFYXUQF-UHFFFAOYSA-N 1 2 291.420 3.045 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1c(C)cnn1COC ZINC001351949319 937029541 /nfs/dbraw/zinc/02/95/41/937029541.db2.gz QUNCKWVVFYXUQF-UHFFFAOYSA-N 1 2 291.420 3.045 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001473861648 937825566 /nfs/dbraw/zinc/82/55/66/937825566.db2.gz FYXWQEKXORCTMX-UHFFFAOYSA-N 1 2 264.325 3.089 20 30 CGEDLO Cc1cn2c(cccc2Nc2cccc(C#N)c2F)[nH+]1 ZINC001216412732 926789007 /nfs/dbraw/zinc/78/90/07/926789007.db2.gz OOFMAFNZDHMKSV-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001482596819 927316467 /nfs/dbraw/zinc/31/64/67/927316467.db2.gz YQJPRUSYURIKFD-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001482596819 927316472 /nfs/dbraw/zinc/31/64/72/927316472.db2.gz YQJPRUSYURIKFD-AWEZNQCLSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001483420873 927502472 /nfs/dbraw/zinc/50/24/72/927502472.db2.gz ONJOBCSSQLXKPH-GOEBONIOSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001483420873 927502477 /nfs/dbraw/zinc/50/24/77/927502477.db2.gz ONJOBCSSQLXKPH-GOEBONIOSA-N 1 2 298.858 3.312 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)OCCCC ZINC001459831863 937502336 /nfs/dbraw/zinc/50/23/36/937502336.db2.gz DDGYAPGCQZMIII-CQSZACIVSA-N 1 2 279.380 3.042 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)OCCCC ZINC001459831863 937502339 /nfs/dbraw/zinc/50/23/39/937502339.db2.gz DDGYAPGCQZMIII-CQSZACIVSA-N 1 2 279.380 3.042 20 30 CGEDLO C=CCCCCC[NH2+][C@@]1(C(=O)OC)C[C@@H](OCC)C1(C)C ZINC001459967467 937509010 /nfs/dbraw/zinc/50/90/10/937509010.db2.gz WYGPXWPGRDWMCI-RHSMWYFYSA-N 1 2 297.439 3.069 20 30 CGEDLO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1nccs1 ZINC001140115161 931956014 /nfs/dbraw/zinc/95/60/14/931956014.db2.gz OQWSDNMNOWDYNC-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1nccs1 ZINC001140115161 931956021 /nfs/dbraw/zinc/95/60/21/931956021.db2.gz OQWSDNMNOWDYNC-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO N#Cc1cccc(Nc2cccc3[nH+]ccn32)c1F ZINC001216412867 932019154 /nfs/dbraw/zinc/01/91/54/932019154.db2.gz WUIWCLKIFNDDCC-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C#CCC[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001308104611 933049713 /nfs/dbraw/zinc/04/97/13/933049713.db2.gz STTWSTXYGJNCCH-UHFFFAOYSA-N 1 2 298.611 3.484 20 30 CGEDLO C#CCC[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001308104611 933049719 /nfs/dbraw/zinc/04/97/19/933049719.db2.gz STTWSTXYGJNCCH-UHFFFAOYSA-N 1 2 298.611 3.484 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1ccc(F)cc1)C(=O)OC ZINC001308902557 933199356 /nfs/dbraw/zinc/19/93/56/933199356.db2.gz RCGARSSKUPOJMN-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)Cl ZINC001317172890 933547747 /nfs/dbraw/zinc/54/77/47/933547747.db2.gz GOLXTYUQJDKQBL-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)Cl ZINC001317172890 933547755 /nfs/dbraw/zinc/54/77/55/933547755.db2.gz GOLXTYUQJDKQBL-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C#CC[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001466163618 937706746 /nfs/dbraw/zinc/70/67/46/937706746.db2.gz UJPGKDKDWIFRGW-OAHLLOKOSA-N 1 2 289.338 3.057 20 30 CGEDLO C=CCn1cnn(C[NH+]2CCC(C)(CC)CC2)c1=S ZINC001318287492 933705379 /nfs/dbraw/zinc/70/53/79/933705379.db2.gz WNDHKEWWMDSXKC-UHFFFAOYSA-N 1 2 280.441 3.070 20 30 CGEDLO C=CC[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(=O)OCC ZINC001321148262 934156727 /nfs/dbraw/zinc/15/67/27/934156727.db2.gz JUECKOCOCSITAR-UYSNPLJNSA-N 1 2 273.376 3.030 20 30 CGEDLO C=C[C@@H](COC)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC001321239956 934168034 /nfs/dbraw/zinc/16/80/34/934168034.db2.gz QBJHYOFUSWYANY-LBPRGKRZSA-N 1 2 263.385 3.336 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@H](C)CC)c1 ZINC001470268061 937750455 /nfs/dbraw/zinc/75/04/55/937750455.db2.gz VQQSXHRSHXSPLE-PBHICJAKSA-N 1 2 284.403 3.236 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@H](C)CC)c1 ZINC001470268061 937750457 /nfs/dbraw/zinc/75/04/57/937750457.db2.gz VQQSXHRSHXSPLE-PBHICJAKSA-N 1 2 284.403 3.236 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OCC ZINC001321967427 934228815 /nfs/dbraw/zinc/22/88/15/934228815.db2.gz OFJNEUTZMPHTHX-HOCLYGCPSA-N 1 2 275.392 3.105 20 30 CGEDLO C#CC[N@@H+](Cc1c(Cl)cccc1N(C)C)C1CC1 ZINC001324662720 934543979 /nfs/dbraw/zinc/54/39/79/934543979.db2.gz NYLCHIQHKDRXSE-UHFFFAOYSA-N 1 2 262.784 3.004 20 30 CGEDLO C#CC[N@H+](Cc1c(Cl)cccc1N(C)C)C1CC1 ZINC001324662720 934543986 /nfs/dbraw/zinc/54/39/86/934543986.db2.gz NYLCHIQHKDRXSE-UHFFFAOYSA-N 1 2 262.784 3.004 20 30 CGEDLO CC#CC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001473289289 937800392 /nfs/dbraw/zinc/80/03/92/937800392.db2.gz XTBXZOFQCUIISM-NSHDSACASA-N 1 2 278.193 3.219 20 30 CGEDLO CC#CC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001473289289 937800393 /nfs/dbraw/zinc/80/03/93/937800393.db2.gz XTBXZOFQCUIISM-NSHDSACASA-N 1 2 278.193 3.219 20 30 CGEDLO C=CCn1cnn(C[N@@H+](CC)C2CC(C)(C)C2)c1=S ZINC001326023927 934944565 /nfs/dbraw/zinc/94/45/65/934944565.db2.gz BURPFKRDSWHHNY-UHFFFAOYSA-N 1 2 280.441 3.068 20 30 CGEDLO C=CCn1cnn(C[N@H+](CC)C2CC(C)(C)C2)c1=S ZINC001326023927 934944568 /nfs/dbraw/zinc/94/45/68/934944568.db2.gz BURPFKRDSWHHNY-UHFFFAOYSA-N 1 2 280.441 3.068 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCCCCC)C1 ZINC001330075296 935266244 /nfs/dbraw/zinc/26/62/44/935266244.db2.gz SWDRECFSVIHCMO-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)C1CCCC1)C(C)C ZINC001332678388 935480619 /nfs/dbraw/zinc/48/06/19/935480619.db2.gz ZXGMKZUQXOOEQE-UHFFFAOYSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)C1CCCC1)C(C)C ZINC001332678388 935480620 /nfs/dbraw/zinc/48/06/20/935480620.db2.gz ZXGMKZUQXOOEQE-UHFFFAOYSA-N 1 2 286.847 3.098 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2csc(C#N)c2)[C@H](CC)CO1 ZINC001333778381 936065776 /nfs/dbraw/zinc/06/57/76/936065776.db2.gz BOLZOIDDJGVADP-CHWSQXEVSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)[C@H](CC)CO1 ZINC001333778381 936065779 /nfs/dbraw/zinc/06/57/79/936065779.db2.gz BOLZOIDDJGVADP-CHWSQXEVSA-N 1 2 264.394 3.009 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC001336796368 936219009 /nfs/dbraw/zinc/21/90/09/936219009.db2.gz DQJBOFAIODFZMF-JKSUJKDBSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC001336796368 936219013 /nfs/dbraw/zinc/21/90/13/936219013.db2.gz DQJBOFAIODFZMF-JKSUJKDBSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC001336893253 936226016 /nfs/dbraw/zinc/22/60/16/936226016.db2.gz JEOXOPHKKARBRX-UHFFFAOYSA-N 1 2 262.401 3.079 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC001336893253 936226019 /nfs/dbraw/zinc/22/60/19/936226019.db2.gz JEOXOPHKKARBRX-UHFFFAOYSA-N 1 2 262.401 3.079 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001473861648 937825564 /nfs/dbraw/zinc/82/55/64/937825564.db2.gz FYXWQEKXORCTMX-UHFFFAOYSA-N 1 2 264.325 3.089 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(Br)c(C)s1 ZINC001474369876 937855622 /nfs/dbraw/zinc/85/56/22/937855622.db2.gz QVZBOEMGAYLTHE-UHFFFAOYSA-N 1 2 296.233 3.278 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(Br)c(C)s1 ZINC001474369876 937855623 /nfs/dbraw/zinc/85/56/23/937855623.db2.gz QVZBOEMGAYLTHE-UHFFFAOYSA-N 1 2 296.233 3.278 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001494893461 937956952 /nfs/dbraw/zinc/95/69/52/937956952.db2.gz YFYHTEHGWRRSGO-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001494893461 937956953 /nfs/dbraw/zinc/95/69/53/937956953.db2.gz YFYHTEHGWRRSGO-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)CCCC(C)C)C1 ZINC001506657154 937991371 /nfs/dbraw/zinc/99/13/71/937991371.db2.gz WSISKDDSLIGEOO-ZDUSSCGKSA-N 1 2 286.847 3.002 20 30 CGEDLO C#CCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001542875484 938137178 /nfs/dbraw/zinc/13/71/78/938137178.db2.gz JHFNZHMSUSTHRX-UHFFFAOYSA-N 1 2 281.359 3.313 20 30 CGEDLO C=CC[C@H]1CCN1C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001558704113 938217209 /nfs/dbraw/zinc/21/72/09/938217209.db2.gz IUFSNARQWTYHSS-HNNXBMFYSA-N 1 2 293.370 3.038 20 30 CGEDLO CN(CCCNc1cc(F)ccc1C#N)c1cccc[nH+]1 ZINC001559266701 938224023 /nfs/dbraw/zinc/22/40/23/938224023.db2.gz LLBJCSWGTDSWLV-UHFFFAOYSA-N 1 2 284.338 3.031 20 30 CGEDLO CC[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1noc(C)n1 ZINC001559736756 938233914 /nfs/dbraw/zinc/23/39/14/938233914.db2.gz QNIPFCNVPKFHNX-CYBMUJFWSA-N 1 2 276.384 3.283 20 30 CGEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H](CC)CO1 ZINC001559973260 938240608 /nfs/dbraw/zinc/24/06/08/938240608.db2.gz HUCDLGVDRDZMNP-IRXDYDNUSA-N 1 2 275.367 3.067 20 30 CGEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](CC)CO1 ZINC001559973260 938240609 /nfs/dbraw/zinc/24/06/09/938240609.db2.gz HUCDLGVDRDZMNP-IRXDYDNUSA-N 1 2 275.367 3.067 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560130234 938244517 /nfs/dbraw/zinc/24/45/17/938244517.db2.gz NEMRDFOGFGJOMR-LBPRGKRZSA-N 1 2 298.308 3.320 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001560130234 938244518 /nfs/dbraw/zinc/24/45/18/938244518.db2.gz NEMRDFOGFGJOMR-LBPRGKRZSA-N 1 2 298.308 3.320 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OC ZINC001560967326 938286858 /nfs/dbraw/zinc/28/68/58/938286858.db2.gz DPSFRDKLGGKEOG-GOEBONIOSA-N 1 2 275.392 3.023 20 30 CGEDLO CCOc1ccc[nH+]c1NCCc1ccc(C#N)cc1 ZINC001156836798 958828527 /nfs/dbraw/zinc/82/85/27/958828527.db2.gz FWGPULQNHCPCET-UHFFFAOYSA-N 1 2 267.332 3.007 20 30 CGEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)CCC)cc2C1 ZINC001570312506 961942468 /nfs/dbraw/zinc/94/24/68/961942468.db2.gz FLQIPKDSSHUONN-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)CCC)cc2C1 ZINC001570312506 961942481 /nfs/dbraw/zinc/94/24/81/961942481.db2.gz FLQIPKDSSHUONN-UHFFFAOYSA-N 1 2 298.430 3.078 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001570712400 962058113 /nfs/dbraw/zinc/05/81/13/962058113.db2.gz KDMOKGORKMYJCM-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001570712400 962058127 /nfs/dbraw/zinc/05/81/27/962058127.db2.gz KDMOKGORKMYJCM-LSDHHAIUSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001570853413 962100830 /nfs/dbraw/zinc/10/08/30/962100830.db2.gz BGWFXSIYZWIECV-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000124364122 187134248 /nfs/dbraw/zinc/13/42/48/187134248.db2.gz WRDDMVBXUZDRNI-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nccnc1C ZINC000621727897 349568865 /nfs/dbraw/zinc/56/88/65/349568865.db2.gz VGCDAUKLCVXRDP-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nccnc1C ZINC000621727897 349568869 /nfs/dbraw/zinc/56/88/69/349568869.db2.gz VGCDAUKLCVXRDP-UHFFFAOYSA-N 1 2 299.422 3.141 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC000621849272 349596617 /nfs/dbraw/zinc/59/66/17/349596617.db2.gz QOTVZWUNWNYRPR-UHFFFAOYSA-N 1 2 299.374 3.281 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)c1 ZINC000621849272 349596620 /nfs/dbraw/zinc/59/66/20/349596620.db2.gz QOTVZWUNWNYRPR-UHFFFAOYSA-N 1 2 299.374 3.281 20 30 CGEDLO CC[N@H+](Cc1coc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000590604903 346854987 /nfs/dbraw/zinc/85/49/87/346854987.db2.gz RLXSWNSXKCSWSG-GFCCVEGCSA-N 1 2 269.348 3.438 20 30 CGEDLO CC[N@@H+](Cc1coc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000590604903 346854991 /nfs/dbraw/zinc/85/49/91/346854991.db2.gz RLXSWNSXKCSWSG-GFCCVEGCSA-N 1 2 269.348 3.438 20 30 CGEDLO CCCc1ccc2[nH+]ccc(NC[C@@H](C)C#N)c2c1 ZINC000590691451 346863684 /nfs/dbraw/zinc/86/36/84/346863684.db2.gz APGQACOOHJRDSN-LBPRGKRZSA-N 1 2 253.349 3.181 20 30 CGEDLO COC(=O)[C@@H]([NH2+]CCC1(C#N)CCCCC1)C(C)(C)C ZINC000591019021 346895299 /nfs/dbraw/zinc/89/52/99/346895299.db2.gz DQUYUNGADXZMIV-CYBMUJFWSA-N 1 2 280.412 3.028 20 30 CGEDLO C=CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)C(C)(C)C ZINC000622943646 349735317 /nfs/dbraw/zinc/73/53/17/349735317.db2.gz LHACBDRKQMZYKD-UHFFFAOYSA-N 1 2 285.391 3.158 20 30 CGEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147665 346967099 /nfs/dbraw/zinc/96/70/99/346967099.db2.gz REBKSBWUNTUROS-QMTHXVAHSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147665 346967101 /nfs/dbraw/zinc/96/71/01/346967101.db2.gz REBKSBWUNTUROS-QMTHXVAHSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152148 346967930 /nfs/dbraw/zinc/96/79/30/346967930.db2.gz UYTKVDBQYQEOKJ-HZMBPMFUSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152148 346967933 /nfs/dbraw/zinc/96/79/33/346967933.db2.gz UYTKVDBQYQEOKJ-HZMBPMFUSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CC2(CCCC2)O1 ZINC000592191422 346970338 /nfs/dbraw/zinc/97/03/38/346970338.db2.gz BZRWUJLYGDBDAY-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC2(CCCC2)O1 ZINC000592191422 346970341 /nfs/dbraw/zinc/97/03/41/346970341.db2.gz BZRWUJLYGDBDAY-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119150 347042234 /nfs/dbraw/zinc/04/22/34/347042234.db2.gz VCSUVCRWPLIAPO-ZDUSSCGKSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119150 347042236 /nfs/dbraw/zinc/04/22/36/347042236.db2.gz VCSUVCRWPLIAPO-ZDUSSCGKSA-N 1 2 282.721 3.443 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593125829 347042751 /nfs/dbraw/zinc/04/27/51/347042751.db2.gz OIBALBDDJVOLRW-SFHVURJKSA-N 1 2 292.382 3.132 20 30 CGEDLO CO[C@@H](Cc1ccccc1)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593125829 347042755 /nfs/dbraw/zinc/04/27/55/347042755.db2.gz OIBALBDDJVOLRW-SFHVURJKSA-N 1 2 292.382 3.132 20 30 CGEDLO Cc1c[nH+]c(C)c(NCc2ccc(C#N)c(C)c2)c1 ZINC000593223647 347053396 /nfs/dbraw/zinc/05/33/96/347053396.db2.gz YJXNDVNPNBHLFC-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO CC[C@H](C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000593444089 347079628 /nfs/dbraw/zinc/07/96/28/347079628.db2.gz LYMNMLURIBBRMM-SNVBAGLBSA-N 1 2 282.347 3.319 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000029536547 344918418 /nfs/dbraw/zinc/91/84/18/344918418.db2.gz YRNUKQLJMNJQIO-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000029536547 344918421 /nfs/dbraw/zinc/91/84/21/344918421.db2.gz YRNUKQLJMNJQIO-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO CCC1(CC)CN(c2cc(C)[nH+]cc2C#N)CCS1 ZINC000425243855 282379090 /nfs/dbraw/zinc/37/90/90/282379090.db2.gz RBHYLRJVURKRIH-UHFFFAOYSA-N 1 2 275.421 3.374 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000052868505 345109326 /nfs/dbraw/zinc/10/93/26/345109326.db2.gz XKNPEPCQGSLKAP-UHFFFAOYSA-N 1 2 273.311 3.050 20 30 CGEDLO C=CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1F ZINC000056312510 345162641 /nfs/dbraw/zinc/16/26/41/345162641.db2.gz FWUKGMKMDZPKRO-UHFFFAOYSA-N 1 2 292.398 3.119 20 30 CGEDLO C=CC[N@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1F ZINC000056312510 345162643 /nfs/dbraw/zinc/16/26/43/345162643.db2.gz FWUKGMKMDZPKRO-UHFFFAOYSA-N 1 2 292.398 3.119 20 30 CGEDLO Cc1cccc2[nH+]c(CNc3ncc(C#N)cc3Cl)cn21 ZINC000068772397 345362253 /nfs/dbraw/zinc/36/22/53/345362253.db2.gz YWRFVKVBKYEPCH-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC[S@@](=O)c1ccccc1 ZINC000072692081 345416072 /nfs/dbraw/zinc/41/60/72/345416072.db2.gz OWXQUHDQYGRUQV-FQEVSTJZSA-N 1 2 292.448 3.056 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC[S@@](=O)c1ccccc1 ZINC000072692081 345416077 /nfs/dbraw/zinc/41/60/77/345416077.db2.gz OWXQUHDQYGRUQV-FQEVSTJZSA-N 1 2 292.448 3.056 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2nc(C)no2)cc1 ZINC000078899837 345623947 /nfs/dbraw/zinc/62/39/47/345623947.db2.gz ABKVGQKTYUFGER-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2nc(C)no2)cc1 ZINC000078899837 345623949 /nfs/dbraw/zinc/62/39/49/345623949.db2.gz ABKVGQKTYUFGER-GFCCVEGCSA-N 1 2 287.363 3.136 20 30 CGEDLO CC[N@H+](CCC#N)CCc1c(F)cccc1Cl ZINC000081513597 345711180 /nfs/dbraw/zinc/71/11/80/345711180.db2.gz JAPNYXUTRJAASS-UHFFFAOYSA-N 1 2 254.736 3.257 20 30 CGEDLO CC[N@@H+](CCC#N)CCc1c(F)cccc1Cl ZINC000081513597 345711182 /nfs/dbraw/zinc/71/11/82/345711182.db2.gz JAPNYXUTRJAASS-UHFFFAOYSA-N 1 2 254.736 3.257 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000091675461 345820661 /nfs/dbraw/zinc/82/06/61/345820661.db2.gz MFZCSKRTNITOSR-UHFFFAOYSA-N 1 2 270.735 3.093 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC000091675461 345820663 /nfs/dbraw/zinc/82/06/63/345820663.db2.gz MFZCSKRTNITOSR-UHFFFAOYSA-N 1 2 270.735 3.093 20 30 CGEDLO CCc1ncc(C[N@H+](CCC#N)CCC(C)C)s1 ZINC000093100780 345869345 /nfs/dbraw/zinc/86/93/45/345869345.db2.gz XPDHYRAIDDRLCB-UHFFFAOYSA-N 1 2 265.426 3.467 20 30 CGEDLO CCc1ncc(C[N@@H+](CCC#N)CCC(C)C)s1 ZINC000093100780 345869346 /nfs/dbraw/zinc/86/93/46/345869346.db2.gz XPDHYRAIDDRLCB-UHFFFAOYSA-N 1 2 265.426 3.467 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000132772656 346074191 /nfs/dbraw/zinc/07/41/91/346074191.db2.gz JOZDYTFSYDHRKS-AWEZNQCLSA-N 1 2 269.747 3.429 20 30 CGEDLO C=CCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000132772656 346074195 /nfs/dbraw/zinc/07/41/95/346074195.db2.gz JOZDYTFSYDHRKS-AWEZNQCLSA-N 1 2 269.747 3.429 20 30 CGEDLO CC#CC[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000293013268 346430591 /nfs/dbraw/zinc/43/05/91/346430591.db2.gz DUPMLSXHVIPZRN-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000293013268 346430595 /nfs/dbraw/zinc/43/05/95/346430595.db2.gz DUPMLSXHVIPZRN-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCCC)c(OC)c1 ZINC000292794642 346429389 /nfs/dbraw/zinc/42/93/89/346429389.db2.gz MSWAZCLPYNKMCN-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCCC)c(OC)c1 ZINC000292794642 346429392 /nfs/dbraw/zinc/42/93/92/346429392.db2.gz MSWAZCLPYNKMCN-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO Cc1cc(F)c(C[NH2+]CC2(C#N)CCCC2)c(F)c1 ZINC000593653713 347100472 /nfs/dbraw/zinc/10/04/72/347100472.db2.gz INKOMKUUVNOAOP-UHFFFAOYSA-N 1 2 264.319 3.447 20 30 CGEDLO COc1ccc2c(c1)[nH+]ccc2OCC1(C#N)CCC1 ZINC000418886016 346609681 /nfs/dbraw/zinc/60/96/81/346609681.db2.gz QIQZBRURQZGSCU-UHFFFAOYSA-N 1 2 268.316 3.316 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000584566491 346683185 /nfs/dbraw/zinc/68/31/85/346683185.db2.gz UBOLMRKKUNADNU-LLVKDONJSA-N 1 2 278.783 3.378 20 30 CGEDLO N#CCCCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000588285216 346758816 /nfs/dbraw/zinc/75/88/16/346758816.db2.gz UIUHCGHEWWXUOL-UHFFFAOYSA-N 1 2 282.347 3.285 20 30 CGEDLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000587989147 346743913 /nfs/dbraw/zinc/74/39/13/346743913.db2.gz PNLDHYWOLGZKBY-ZDUSSCGKSA-N 1 2 293.374 3.122 20 30 CGEDLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000587989147 346743917 /nfs/dbraw/zinc/74/39/17/346743917.db2.gz PNLDHYWOLGZKBY-ZDUSSCGKSA-N 1 2 293.374 3.122 20 30 CGEDLO C[N@H+](Cc1nc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000589517744 346799499 /nfs/dbraw/zinc/79/94/99/346799499.db2.gz JXKNSHILYJFRRY-UHFFFAOYSA-N 1 2 271.389 3.382 20 30 CGEDLO C[N@@H+](Cc1nc(C#N)cs1)C(C)(C)c1ccccc1 ZINC000589517744 346799505 /nfs/dbraw/zinc/79/95/05/346799505.db2.gz JXKNSHILYJFRRY-UHFFFAOYSA-N 1 2 271.389 3.382 20 30 CGEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000594525596 347189739 /nfs/dbraw/zinc/18/97/39/347189739.db2.gz WJQBFHRSOYJFHC-UHFFFAOYSA-N 1 2 296.374 3.038 20 30 CGEDLO COc1cc(C)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(C)n1 ZINC000594616057 347204940 /nfs/dbraw/zinc/20/49/40/347204940.db2.gz XWBYKWQKKIADAE-UHFFFAOYSA-N 1 2 293.370 3.095 20 30 CGEDLO COc1cc(C)c(C[N@H+]2Cc3ccc(C#N)cc3C2)c(C)n1 ZINC000594616057 347204943 /nfs/dbraw/zinc/20/49/43/347204943.db2.gz XWBYKWQKKIADAE-UHFFFAOYSA-N 1 2 293.370 3.095 20 30 CGEDLO CO[C@@H](C[N@H+](CC#N)C1CCCC1)C1CCCCC1 ZINC000595329425 347293375 /nfs/dbraw/zinc/29/33/75/347293375.db2.gz SCGDXVUWCPEVGV-INIZCTEOSA-N 1 2 264.413 3.350 20 30 CGEDLO CO[C@@H](C[N@@H+](CC#N)C1CCCC1)C1CCCCC1 ZINC000595329425 347293377 /nfs/dbraw/zinc/29/33/77/347293377.db2.gz SCGDXVUWCPEVGV-INIZCTEOSA-N 1 2 264.413 3.350 20 30 CGEDLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)COC ZINC000595638665 347331043 /nfs/dbraw/zinc/33/10/43/347331043.db2.gz KFDPDSMIKJFGFI-NSHDSACASA-N 1 2 298.770 3.271 20 30 CGEDLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)COC ZINC000595638665 347331048 /nfs/dbraw/zinc/33/10/48/347331048.db2.gz KFDPDSMIKJFGFI-NSHDSACASA-N 1 2 298.770 3.271 20 30 CGEDLO CC[N@H+](CC[C@@H](C)OCc1ccccc1)[C@@H](C)C#N ZINC000595819894 347359984 /nfs/dbraw/zinc/35/99/84/347359984.db2.gz GPTROSFJEYWBJE-LSDHHAIUSA-N 1 2 260.381 3.216 20 30 CGEDLO CC[N@@H+](CC[C@@H](C)OCc1ccccc1)[C@@H](C)C#N ZINC000595819894 347359987 /nfs/dbraw/zinc/35/99/87/347359987.db2.gz GPTROSFJEYWBJE-LSDHHAIUSA-N 1 2 260.381 3.216 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807820 347357555 /nfs/dbraw/zinc/35/75/55/347357555.db2.gz AUPLIHANRWSNCH-ZWNOBZJWSA-N 1 2 291.192 3.163 20 30 CGEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807820 347357557 /nfs/dbraw/zinc/35/75/57/347357557.db2.gz AUPLIHANRWSNCH-ZWNOBZJWSA-N 1 2 291.192 3.163 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2Br)C1 ZINC000595833111 347362861 /nfs/dbraw/zinc/36/28/61/347362861.db2.gz GAVFWOMBILSCIE-ZDUSSCGKSA-N 1 2 279.181 3.185 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2Br)C1 ZINC000595833111 347362864 /nfs/dbraw/zinc/36/28/64/347362864.db2.gz GAVFWOMBILSCIE-ZDUSSCGKSA-N 1 2 279.181 3.185 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000595838097 347364541 /nfs/dbraw/zinc/36/45/41/347364541.db2.gz QNKSLWCGBOZLQA-CQSZACIVSA-N 1 2 298.308 3.363 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000595838097 347364544 /nfs/dbraw/zinc/36/45/44/347364544.db2.gz QNKSLWCGBOZLQA-CQSZACIVSA-N 1 2 298.308 3.363 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000595838711 347364763 /nfs/dbraw/zinc/36/47/63/347364763.db2.gz DMWOUYZYWTZRPT-CQSZACIVSA-N 1 2 266.291 3.024 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000595838711 347364767 /nfs/dbraw/zinc/36/47/67/347364767.db2.gz DMWOUYZYWTZRPT-CQSZACIVSA-N 1 2 266.291 3.024 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1Cl ZINC000595843680 347366552 /nfs/dbraw/zinc/36/65/52/347366552.db2.gz MAVLLOXVPAOLMQ-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1Cl ZINC000595843680 347366554 /nfs/dbraw/zinc/36/65/54/347366554.db2.gz MAVLLOXVPAOLMQ-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1[nH+]ccn1C ZINC000596542161 347477039 /nfs/dbraw/zinc/47/70/39/347477039.db2.gz JHLCVCIMJFBOEG-LLVKDONJSA-N 1 2 283.379 3.157 20 30 CGEDLO CCc1cccc2cc(C[N@@H+](CCC#N)CCOC)oc21 ZINC000596994992 347525261 /nfs/dbraw/zinc/52/52/61/347525261.db2.gz GZWMCLLZJMHUKA-UHFFFAOYSA-N 1 2 286.375 3.357 20 30 CGEDLO CCc1cccc2cc(C[N@H+](CCC#N)CCOC)oc21 ZINC000596994992 347525263 /nfs/dbraw/zinc/52/52/63/347525263.db2.gz GZWMCLLZJMHUKA-UHFFFAOYSA-N 1 2 286.375 3.357 20 30 CGEDLO Cn1ncc(C2CCC2)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000596996666 347525784 /nfs/dbraw/zinc/52/57/84/347525784.db2.gz WJOFKPUCRZEBEG-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO Cn1ncc(C2CCC2)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000596996666 347525790 /nfs/dbraw/zinc/52/57/90/347525790.db2.gz WJOFKPUCRZEBEG-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO COCc1csc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000597026936 347528857 /nfs/dbraw/zinc/52/88/57/347528857.db2.gz SPKIVIWLMGNHRI-NSHDSACASA-N 1 2 264.394 3.019 20 30 CGEDLO COCc1csc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000597026936 347528860 /nfs/dbraw/zinc/52/88/60/347528860.db2.gz SPKIVIWLMGNHRI-NSHDSACASA-N 1 2 264.394 3.019 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC)cc1C ZINC000597129944 347537938 /nfs/dbraw/zinc/53/79/38/347537938.db2.gz NFAJILKMDKLCIU-UHFFFAOYSA-N 1 2 258.365 3.295 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC)cc1C ZINC000597129944 347537940 /nfs/dbraw/zinc/53/79/40/347537940.db2.gz NFAJILKMDKLCIU-UHFFFAOYSA-N 1 2 258.365 3.295 20 30 CGEDLO N#CCC1C[NH+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000597203727 347554290 /nfs/dbraw/zinc/55/42/90/347554290.db2.gz NDZMBFJJIZVSED-UHFFFAOYSA-N 1 2 287.363 3.295 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229429 347557684 /nfs/dbraw/zinc/55/76/84/347557684.db2.gz ACCOKFFVVCLWGD-RQPMMQJISA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229429 347557688 /nfs/dbraw/zinc/55/76/88/347557688.db2.gz ACCOKFFVVCLWGD-RQPMMQJISA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000597231727 347559944 /nfs/dbraw/zinc/55/99/44/347559944.db2.gz ONHKAPPWLKYWSS-GWQWAINWSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000597231727 347559948 /nfs/dbraw/zinc/55/99/48/347559948.db2.gz ONHKAPPWLKYWSS-GWQWAINWSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000597231726 347560230 /nfs/dbraw/zinc/56/02/30/347560230.db2.gz ONHKAPPWLKYWSS-FAAWYNLUSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000597231726 347560232 /nfs/dbraw/zinc/56/02/32/347560232.db2.gz ONHKAPPWLKYWSS-FAAWYNLUSA-N 1 2 262.303 3.214 20 30 CGEDLO N#CCC1C[NH+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000597194042 347548401 /nfs/dbraw/zinc/54/84/01/347548401.db2.gz SYIBODKCIVKCFH-UHFFFAOYSA-N 1 2 254.255 3.051 20 30 CGEDLO COc1ccc[nH+]c1NCCSCc1ccccc1C#N ZINC000599021422 347706801 /nfs/dbraw/zinc/70/68/01/347706801.db2.gz ZFFRDXUNCHILNY-UHFFFAOYSA-N 1 2 299.399 3.307 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1C#N ZINC000599308235 347734527 /nfs/dbraw/zinc/73/45/27/347734527.db2.gz RLSAGRYDGCNTRL-ZDUSSCGKSA-N 1 2 288.391 3.029 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1C#N ZINC000599308235 347734529 /nfs/dbraw/zinc/73/45/29/347734529.db2.gz RLSAGRYDGCNTRL-ZDUSSCGKSA-N 1 2 288.391 3.029 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000599365102 347740363 /nfs/dbraw/zinc/74/03/63/347740363.db2.gz CLFQGDKCFLTIPW-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC2(CC2)C1 ZINC000600965648 347849489 /nfs/dbraw/zinc/84/94/89/347849489.db2.gz UIBGEMANBIZZNR-UHFFFAOYSA-N 1 2 292.342 3.099 20 30 CGEDLO C[C@H](CCC#N)CNc1ccccc1OCCn1cc[nH+]c1 ZINC000602490556 347968522 /nfs/dbraw/zinc/96/85/22/347968522.db2.gz CGIBNESEOYVYRL-OAHLLOKOSA-N 1 2 298.390 3.314 20 30 CGEDLO C[C@H](CC1(C#N)CCOCC1)Nc1c[nH+]c2c(c1)CCCC2 ZINC000602598360 347990995 /nfs/dbraw/zinc/99/09/95/347990995.db2.gz BRNKEDBNNLBQDT-CQSZACIVSA-N 1 2 299.418 3.471 20 30 CGEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)cc1O ZINC000602602789 347991823 /nfs/dbraw/zinc/99/18/23/347991823.db2.gz BMWHWDCTPNVZKD-UHFFFAOYSA-N 1 2 294.782 3.180 20 30 CGEDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cc(C)cc(C)c1 ZINC000602624585 347995973 /nfs/dbraw/zinc/99/59/73/347995973.db2.gz LBBYAZGWLWZIKC-LRDDRELGSA-N 1 2 288.391 3.047 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602783827 348028319 /nfs/dbraw/zinc/02/83/19/348028319.db2.gz GGQMDWUTBYXHBV-NSHDSACASA-N 1 2 294.424 3.009 20 30 CGEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602783827 348028322 /nfs/dbraw/zinc/02/83/22/348028322.db2.gz GGQMDWUTBYXHBV-NSHDSACASA-N 1 2 294.424 3.009 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C1CC(c2ccccc2F)C1)C(=O)OC ZINC000602735449 348021621 /nfs/dbraw/zinc/02/16/21/348021621.db2.gz XHPZCKBQUCPAFH-ZUEPYMLJSA-N 1 2 291.366 3.169 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000602848938 348036622 /nfs/dbraw/zinc/03/66/22/348036622.db2.gz YPIFDYHNSSROSA-GFCCVEGCSA-N 1 2 296.374 3.087 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000602848938 348036626 /nfs/dbraw/zinc/03/66/26/348036626.db2.gz YPIFDYHNSSROSA-GFCCVEGCSA-N 1 2 296.374 3.087 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000602845542 348036661 /nfs/dbraw/zinc/03/66/61/348036661.db2.gz JQQKLLPDGCFYCM-GFCCVEGCSA-N 1 2 296.374 3.402 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000602845542 348036663 /nfs/dbraw/zinc/03/66/63/348036663.db2.gz JQQKLLPDGCFYCM-GFCCVEGCSA-N 1 2 296.374 3.402 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000602861774 348037491 /nfs/dbraw/zinc/03/74/91/348037491.db2.gz JCNJVKQDNMRWEV-CHWSQXEVSA-N 1 2 287.407 3.203 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880910 348040066 /nfs/dbraw/zinc/04/00/66/348040066.db2.gz OFUATCGBOMLULV-OAHLLOKOSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880910 348040069 /nfs/dbraw/zinc/04/00/69/348040069.db2.gz OFUATCGBOMLULV-OAHLLOKOSA-N 1 2 286.766 3.272 20 30 CGEDLO COCc1cc(C#N)ccc1NCc1c[nH+]c(C)cc1C ZINC000603389718 348078123 /nfs/dbraw/zinc/07/81/23/348078123.db2.gz DMWFIYMNCNVKOM-UHFFFAOYSA-N 1 2 281.359 3.329 20 30 CGEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977863 348049268 /nfs/dbraw/zinc/04/92/68/348049268.db2.gz ICQOZEPUGMNHLB-GOEBONIOSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977863 348049269 /nfs/dbraw/zinc/04/92/69/348049269.db2.gz ICQOZEPUGMNHLB-GOEBONIOSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000602979988 348050473 /nfs/dbraw/zinc/05/04/73/348050473.db2.gz KDRQCDZSNVUKPQ-ZWNOBZJWSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000602979988 348050474 /nfs/dbraw/zinc/05/04/74/348050474.db2.gz KDRQCDZSNVUKPQ-ZWNOBZJWSA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000610395732 348380575 /nfs/dbraw/zinc/38/05/75/348380575.db2.gz WHKPGCFAXUKYBF-QMMMGPOBSA-N 1 2 274.698 3.333 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000614402327 348674054 /nfs/dbraw/zinc/67/40/54/348674054.db2.gz UEKPWDXMQQMBQX-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000614402327 348674058 /nfs/dbraw/zinc/67/40/58/348674058.db2.gz UEKPWDXMQQMBQX-BXUZGUMPSA-N 1 2 298.308 3.018 20 30 CGEDLO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000618608120 349121618 /nfs/dbraw/zinc/12/16/18/349121618.db2.gz HREGRNSUDHPPKF-IJEWVQPXSA-N 1 2 275.392 3.481 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000619286417 349227647 /nfs/dbraw/zinc/22/76/47/349227647.db2.gz MKNMFBOYVIRMKM-CHWSQXEVSA-N 1 2 280.375 3.035 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cscn1 ZINC000619465919 349253071 /nfs/dbraw/zinc/25/30/71/349253071.db2.gz HNZIJYIHAOKUQN-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO C=C[C@@H]([NH2+][C@@H](C)CCC1CCCCC1)C(=O)OC ZINC000619701391 349276263 /nfs/dbraw/zinc/27/62/63/349276263.db2.gz HFVKSBFJIPJXKC-GXTWGEPZSA-N 1 2 253.386 3.053 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000619721636 349278693 /nfs/dbraw/zinc/27/86/93/349278693.db2.gz UURDGIWGIGHAKK-HNNXBMFYSA-N 1 2 293.794 3.247 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000620861468 349431084 /nfs/dbraw/zinc/43/10/84/349431084.db2.gz RBXVUTHXVMXWBD-UHFFFAOYSA-N 1 2 297.402 3.406 20 30 CGEDLO C=CCCCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632520571 351203127 /nfs/dbraw/zinc/20/31/27/351203127.db2.gz XDUWGOVWHVJPRX-UHFFFAOYSA-N 1 2 269.348 3.163 20 30 CGEDLO C=CCC1(NC(=O)c2ccn3cc(C)[nH+]c3c2)CCCC1 ZINC000636205599 351729671 /nfs/dbraw/zinc/72/96/71/351729671.db2.gz XXQBHKRMSWMVLD-UHFFFAOYSA-N 1 2 283.375 3.261 20 30 CGEDLO C=CC(C)(C)CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000636249152 351732373 /nfs/dbraw/zinc/73/23/73/351732373.db2.gz AQBCFNNBBBZMAH-AWEZNQCLSA-N 1 2 277.412 3.189 20 30 CGEDLO C=C(Cl)C[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000271453833 191146583 /nfs/dbraw/zinc/14/65/83/191146583.db2.gz GMFGYXGPSIOKRP-GFCCVEGCSA-N 1 2 290.798 3.287 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000364340043 234035742 /nfs/dbraw/zinc/03/57/42/234035742.db2.gz FZUFIARXQCQJHW-UHFFFAOYSA-N 1 2 288.366 3.090 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000364340043 234035747 /nfs/dbraw/zinc/03/57/47/234035747.db2.gz FZUFIARXQCQJHW-UHFFFAOYSA-N 1 2 288.366 3.090 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000336446469 213309861 /nfs/dbraw/zinc/30/98/61/213309861.db2.gz FQCGCENRZSNOQY-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000336446469 213309863 /nfs/dbraw/zinc/30/98/63/213309863.db2.gz FQCGCENRZSNOQY-CQSZACIVSA-N 1 2 269.373 3.352 20 30 CGEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000336229304 291052646 /nfs/dbraw/zinc/05/26/46/291052646.db2.gz ZDQIYNGZXBCGNN-IUCAKERBSA-N 1 2 289.326 3.178 20 30 CGEDLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000336229304 291052649 /nfs/dbraw/zinc/05/26/49/291052649.db2.gz ZDQIYNGZXBCGNN-IUCAKERBSA-N 1 2 289.326 3.178 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000355216280 283143108 /nfs/dbraw/zinc/14/31/08/283143108.db2.gz UVSZWMMGEXNOLV-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000355216280 283143111 /nfs/dbraw/zinc/14/31/11/283143111.db2.gz UVSZWMMGEXNOLV-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000336239723 213069962 /nfs/dbraw/zinc/06/99/62/213069962.db2.gz NGHDRGHFTPLTMM-INIZCTEOSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000336239723 213069964 /nfs/dbraw/zinc/06/99/64/213069964.db2.gz NGHDRGHFTPLTMM-INIZCTEOSA-N 1 2 284.338 3.148 20 30 CGEDLO Cc1ccc(CN(C)c2cc(C)[nH+]cc2C#N)s1 ZINC000425221147 236221079 /nfs/dbraw/zinc/22/10/79/236221079.db2.gz GCGSIMJGGGUYCX-UHFFFAOYSA-N 1 2 257.362 3.268 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000425542603 236259067 /nfs/dbraw/zinc/25/90/67/236259067.db2.gz YJUFSYQKQZKLAX-CYBMUJFWSA-N 1 2 297.406 3.098 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000425542603 236259068 /nfs/dbraw/zinc/25/90/68/236259068.db2.gz YJUFSYQKQZKLAX-CYBMUJFWSA-N 1 2 297.406 3.098 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000178495261 189120931 /nfs/dbraw/zinc/12/09/31/189120931.db2.gz WJWNPEFEDVBYEI-LBPRGKRZSA-N 1 2 269.186 3.071 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000178495261 189120932 /nfs/dbraw/zinc/12/09/32/189120932.db2.gz WJWNPEFEDVBYEI-LBPRGKRZSA-N 1 2 269.186 3.071 20 30 CGEDLO N#Cc1ccc2[nH]c(-c3cc(-n4cc[nH+]c4)cs3)nc2c1 ZINC000342121616 216225211 /nfs/dbraw/zinc/22/52/11/216225211.db2.gz INHOJVVVYZCSJC-UHFFFAOYSA-N 1 2 291.339 3.349 20 30 CGEDLO N#Cc1ccc(Nc2cccc([NH+]3CCCCCC3)c2)nn1 ZINC000302018207 201299993 /nfs/dbraw/zinc/29/99/93/201299993.db2.gz ZNXZOEMTEDHFNN-UHFFFAOYSA-N 1 2 293.374 3.472 20 30 CGEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000121332224 370852160 /nfs/dbraw/zinc/85/21/60/370852160.db2.gz JINYZBJRUPNREG-LBPRGKRZSA-N 1 2 257.337 3.224 20 30 CGEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000121332224 370852162 /nfs/dbraw/zinc/85/21/62/370852162.db2.gz JINYZBJRUPNREG-LBPRGKRZSA-N 1 2 257.337 3.224 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000025791076 368852320 /nfs/dbraw/zinc/85/23/20/368852320.db2.gz NRYXZKRWVSFRTE-JTQLQIEISA-N 1 2 282.413 3.124 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[N@H+]2CCCC[C@@H]2C)s1 ZINC000025791076 368852325 /nfs/dbraw/zinc/85/23/25/368852325.db2.gz NRYXZKRWVSFRTE-JTQLQIEISA-N 1 2 282.413 3.124 20 30 CGEDLO CCOc1cc(C[N@H+](CC)CCC#N)ccc1OC(F)F ZINC000127675737 370955998 /nfs/dbraw/zinc/95/59/98/370955998.db2.gz ZDUANLITXBHOOZ-UHFFFAOYSA-N 1 2 298.333 3.422 20 30 CGEDLO CCOc1cc(C[N@@H+](CC)CCC#N)ccc1OC(F)F ZINC000127675737 370956001 /nfs/dbraw/zinc/95/60/01/370956001.db2.gz ZDUANLITXBHOOZ-UHFFFAOYSA-N 1 2 298.333 3.422 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)on1)Cc1ccc(OC)cc1 ZINC000054272214 369500665 /nfs/dbraw/zinc/50/06/65/369500665.db2.gz YVDNXSFWKJUKPK-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)on1)Cc1ccc(OC)cc1 ZINC000054272214 369500666 /nfs/dbraw/zinc/50/06/66/369500666.db2.gz YVDNXSFWKJUKPK-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1F ZINC000064635020 369658770 /nfs/dbraw/zinc/65/87/70/369658770.db2.gz SHVCTSAFKRQDRM-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1F ZINC000064635020 369658773 /nfs/dbraw/zinc/65/87/73/369658773.db2.gz SHVCTSAFKRQDRM-UHFFFAOYSA-N 1 2 260.234 3.082 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(COC)o1)Cc1ccc(F)cc1 ZINC000092541529 370098410 /nfs/dbraw/zinc/09/84/10/370098410.db2.gz NZVUTDKTZOZSBN-UHFFFAOYSA-N 1 2 287.334 3.201 20 30 CGEDLO C#CC[N@H+](Cc1ccc(COC)o1)Cc1ccc(F)cc1 ZINC000092541529 370098414 /nfs/dbraw/zinc/09/84/14/370098414.db2.gz NZVUTDKTZOZSBN-UHFFFAOYSA-N 1 2 287.334 3.201 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@@H+](C)[C@H](C)CC#N)s2)o1 ZINC000093091099 370108341 /nfs/dbraw/zinc/10/83/41/370108341.db2.gz GKASFRYYJRPHRQ-SNVBAGLBSA-N 1 2 275.377 3.446 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@H+](C)[C@H](C)CC#N)s2)o1 ZINC000093091099 370108348 /nfs/dbraw/zinc/10/83/48/370108348.db2.gz GKASFRYYJRPHRQ-SNVBAGLBSA-N 1 2 275.377 3.446 20 30 CGEDLO Cc1cccn2c(CN(CCC#N)CC(C)(C)C)c[nH+]c12 ZINC000093101212 370109570 /nfs/dbraw/zinc/10/95/70/370109570.db2.gz YEXMHNGRSWPSSC-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccn2c(C[N@H+](CCC#N)CC(C)(C)C)cnc12 ZINC000093101212 370109574 /nfs/dbraw/zinc/10/95/74/370109574.db2.gz YEXMHNGRSWPSSC-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1cccn2c(C[N@@H+](CCC#N)CC(C)(C)C)cnc12 ZINC000093101212 370109576 /nfs/dbraw/zinc/10/95/76/370109576.db2.gz YEXMHNGRSWPSSC-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000093807716 370160142 /nfs/dbraw/zinc/16/01/42/370160142.db2.gz ZRHFJJGQOMAGDQ-UHFFFAOYSA-N 1 2 277.418 3.271 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2cc(C#N)cs2)s1 ZINC000093807716 370160143 /nfs/dbraw/zinc/16/01/43/370160143.db2.gz ZRHFJJGQOMAGDQ-UHFFFAOYSA-N 1 2 277.418 3.271 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000103140814 370319319 /nfs/dbraw/zinc/31/93/19/370319319.db2.gz XRNLSJSITBAHHH-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000103140814 370319321 /nfs/dbraw/zinc/31/93/21/370319321.db2.gz XRNLSJSITBAHHH-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000098059988 370261270 /nfs/dbraw/zinc/26/12/70/370261270.db2.gz DKNMJLFGGOHGBS-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO CCc1ccc2c(C[N@H+](C)[C@@H](C)CC#N)cc(=O)oc2c1 ZINC000129623860 370996271 /nfs/dbraw/zinc/99/62/71/370996271.db2.gz AERPURCDSOHSCU-LBPRGKRZSA-N 1 2 284.359 3.089 20 30 CGEDLO CCc1ccc2c(C[N@@H+](C)[C@@H](C)CC#N)cc(=O)oc2c1 ZINC000129623860 370996273 /nfs/dbraw/zinc/99/62/73/370996273.db2.gz AERPURCDSOHSCU-LBPRGKRZSA-N 1 2 284.359 3.089 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1c(F)cccc1F ZINC000135154427 371395586 /nfs/dbraw/zinc/39/55/86/371395586.db2.gz GXEILOOVCZNGQE-SECBINFHSA-N 1 2 262.259 3.280 20 30 CGEDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000344067045 217035855 /nfs/dbraw/zinc/03/58/55/217035855.db2.gz FNLVKYAMGYSZQB-NSHDSACASA-N 1 2 286.404 3.384 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(CC)s1)c1ccco1 ZINC000290163536 371918525 /nfs/dbraw/zinc/91/85/25/371918525.db2.gz MBYKULJRBDKRLD-NSHDSACASA-N 1 2 277.393 3.491 20 30 CGEDLO CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@H](C)C#N ZINC000157643336 372031186 /nfs/dbraw/zinc/03/11/86/372031186.db2.gz FBYJWQSWVSFNIC-LLVKDONJSA-N 1 2 294.782 3.093 20 30 CGEDLO CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@H](C)C#N ZINC000157643336 372031191 /nfs/dbraw/zinc/03/11/91/372031191.db2.gz FBYJWQSWVSFNIC-LLVKDONJSA-N 1 2 294.782 3.093 20 30 CGEDLO COCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000157905687 372041504 /nfs/dbraw/zinc/04/15/04/372041504.db2.gz BULKUGPUGPXGQP-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO COCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000157905687 372041508 /nfs/dbraw/zinc/04/15/08/372041508.db2.gz BULKUGPUGPXGQP-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO C=C(CC)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425317952 372120870 /nfs/dbraw/zinc/12/08/70/372120870.db2.gz SSWJOJCYCUDUBA-OAHLLOKOSA-N 1 2 283.375 3.014 20 30 CGEDLO Cc1nc2ccc(C[N@@H+](C)[C@H](C)CC#N)cc2s1 ZINC000426394024 372155028 /nfs/dbraw/zinc/15/50/28/372155028.db2.gz CABSXYKXBDJYCE-SNVBAGLBSA-N 1 2 259.378 3.339 20 30 CGEDLO Cc1nc2ccc(C[N@H+](C)[C@H](C)CC#N)cc2s1 ZINC000426394024 372155033 /nfs/dbraw/zinc/15/50/33/372155033.db2.gz CABSXYKXBDJYCE-SNVBAGLBSA-N 1 2 259.378 3.339 20 30 CGEDLO N#CCCCC[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000425527759 372130844 /nfs/dbraw/zinc/13/08/44/372130844.db2.gz NTSFPRBTQGJPGL-UHFFFAOYSA-N 1 2 278.783 3.235 20 30 CGEDLO N#CCCCC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000425527759 372130854 /nfs/dbraw/zinc/13/08/54/372130854.db2.gz NTSFPRBTQGJPGL-UHFFFAOYSA-N 1 2 278.783 3.235 20 30 CGEDLO C=CCCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000292191300 372183298 /nfs/dbraw/zinc/18/32/98/372183298.db2.gz PCIMIJAORCLXBL-AWEZNQCLSA-N 1 2 262.401 3.372 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(Cl)cc1 ZINC000428837500 372267247 /nfs/dbraw/zinc/26/72/47/372267247.db2.gz WTEFBLPDZZRUHI-UHFFFAOYSA-N 1 2 264.756 3.120 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1ccc(Cl)cc1 ZINC000428837500 372267253 /nfs/dbraw/zinc/26/72/53/372267253.db2.gz WTEFBLPDZZRUHI-UHFFFAOYSA-N 1 2 264.756 3.120 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCSc1ccc(F)cc1 ZINC000428837945 372267396 /nfs/dbraw/zinc/26/73/96/372267396.db2.gz GIEAUGQTJNQCKN-UHFFFAOYSA-N 1 2 264.369 3.319 20 30 CGEDLO C=CC[N@H+](CCC#N)CCSc1ccc(F)cc1 ZINC000428837945 372267401 /nfs/dbraw/zinc/26/74/01/372267401.db2.gz GIEAUGQTJNQCKN-UHFFFAOYSA-N 1 2 264.369 3.319 20 30 CGEDLO CC#CC[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000293138010 372308812 /nfs/dbraw/zinc/30/88/12/372308812.db2.gz NINANTNWKYBOSL-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO CC#CC[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000293138010 372308816 /nfs/dbraw/zinc/30/88/16/372308816.db2.gz NINANTNWKYBOSL-UHFFFAOYSA-N 1 2 276.286 3.075 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc2O1 ZINC000429170603 372320548 /nfs/dbraw/zinc/32/05/48/372320548.db2.gz XUZCTCGBRUZWAV-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc2O1 ZINC000429170603 372320550 /nfs/dbraw/zinc/32/05/50/372320550.db2.gz XUZCTCGBRUZWAV-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO CC(C)[C@H](CC[N@H+](C)C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000161436954 372326133 /nfs/dbraw/zinc/32/61/33/372326133.db2.gz CILORJMBNOCEDH-ZDUSSCGKSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)[C@H](CC[N@@H+](C)C(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000161436954 372326137 /nfs/dbraw/zinc/32/61/37/372326137.db2.gz CILORJMBNOCEDH-ZDUSSCGKSA-N 1 2 297.443 3.160 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000430107333 372384572 /nfs/dbraw/zinc/38/45/72/372384572.db2.gz WYLNSCCDJGZRLS-UHFFFAOYSA-N 1 2 270.376 3.302 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000430107333 372384576 /nfs/dbraw/zinc/38/45/76/372384576.db2.gz WYLNSCCDJGZRLS-UHFFFAOYSA-N 1 2 270.376 3.302 20 30 CGEDLO N#CC[N@H+](C[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000162906460 372433142 /nfs/dbraw/zinc/43/31/42/372433142.db2.gz LYTLJXAPWLFWPM-AWEZNQCLSA-N 1 2 270.376 3.321 20 30 CGEDLO N#CC[N@@H+](C[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000162906460 372433145 /nfs/dbraw/zinc/43/31/45/372433145.db2.gz LYTLJXAPWLFWPM-AWEZNQCLSA-N 1 2 270.376 3.321 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](C#N)CCC#N ZINC000433239038 372584270 /nfs/dbraw/zinc/58/42/70/372584270.db2.gz DQAODNKIQLHDRQ-GFCCVEGCSA-N 1 2 279.746 3.354 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](C#N)CCC#N ZINC000433239038 372584272 /nfs/dbraw/zinc/58/42/72/372584272.db2.gz DQAODNKIQLHDRQ-GFCCVEGCSA-N 1 2 279.746 3.354 20 30 CGEDLO C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295332664 372740873 /nfs/dbraw/zinc/74/08/73/372740873.db2.gz AROYLOZUILFZGX-AWEZNQCLSA-N 1 2 287.407 3.098 20 30 CGEDLO CC(C)C[C@H]1COCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441167309 372997787 /nfs/dbraw/zinc/99/77/87/372997787.db2.gz OLOHPDVWHVAYRD-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)C[C@H]1COCC[N@H+]1CC#Cc1ccccc1Cl ZINC000441167309 372997795 /nfs/dbraw/zinc/99/77/95/372997795.db2.gz OLOHPDVWHVAYRD-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO C=CCN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441342771 373003397 /nfs/dbraw/zinc/00/33/97/373003397.db2.gz FASROURGSJKUFO-CYBMUJFWSA-N 1 2 264.800 3.205 20 30 CGEDLO C=C[C@](C)(CC)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277666612 193725887 /nfs/dbraw/zinc/72/58/87/193725887.db2.gz VRAZYJKLWRFUMZ-QGZVFWFLSA-N 1 2 291.439 3.286 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000447046311 373396016 /nfs/dbraw/zinc/39/60/16/373396016.db2.gz ZCWWDWPOJYYJNL-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000447046311 373396022 /nfs/dbraw/zinc/39/60/22/373396022.db2.gz ZCWWDWPOJYYJNL-CZUORRHYSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCCCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000175348400 373455455 /nfs/dbraw/zinc/45/54/55/373455455.db2.gz VXXHRRSGTHWYQZ-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO Cc1cccc(CC[N@H+](CCC#N)Cc2cccnc2)c1 ZINC000449002028 373653488 /nfs/dbraw/zinc/65/34/88/373653488.db2.gz IOZMCHSXMANEHW-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO Cc1cccc(CC[N@@H+](CCC#N)Cc2cccnc2)c1 ZINC000449002028 373653500 /nfs/dbraw/zinc/65/35/00/373653500.db2.gz IOZMCHSXMANEHW-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1F ZINC000449045003 373656530 /nfs/dbraw/zinc/65/65/30/373656530.db2.gz GPLAGWHFZJSDIZ-WMZOPIPTSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1F ZINC000449045003 373656536 /nfs/dbraw/zinc/65/65/36/373656536.db2.gz GPLAGWHFZJSDIZ-WMZOPIPTSA-N 1 2 295.361 3.492 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1ccc(SC)cc1)C(=O)OCC ZINC000449655221 373838193 /nfs/dbraw/zinc/83/81/93/373838193.db2.gz GVCOWUHBAOMQPD-HNNXBMFYSA-N 1 2 293.432 3.396 20 30 CGEDLO N#CCC[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000302848026 373983542 /nfs/dbraw/zinc/98/35/42/373983542.db2.gz OOYMZCMMZWSEJJ-LLVKDONJSA-N 1 2 287.754 3.169 20 30 CGEDLO N#CCC[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccccc1 ZINC000302848026 373983557 /nfs/dbraw/zinc/98/35/57/373983557.db2.gz OOYMZCMMZWSEJJ-LLVKDONJSA-N 1 2 287.754 3.169 20 30 CGEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450452783 374140606 /nfs/dbraw/zinc/14/06/06/374140606.db2.gz KLTQAZWVPPSMAN-RNODOKPDSA-N 1 2 290.432 3.111 20 30 CGEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450452783 374140608 /nfs/dbraw/zinc/14/06/08/374140608.db2.gz KLTQAZWVPPSMAN-RNODOKPDSA-N 1 2 290.432 3.111 20 30 CGEDLO C[C@@H]1CCC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000329790406 374430362 /nfs/dbraw/zinc/43/03/62/374430362.db2.gz TUNOBYKSQGSPEK-NEPJUHHUSA-N 1 2 272.352 3.239 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000183825335 374461766 /nfs/dbraw/zinc/46/17/66/374461766.db2.gz LZDVBBZTUJAEBZ-CYBMUJFWSA-N 1 2 258.365 3.257 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1nccn1C)c1ccc(F)c(F)c1 ZINC000187370028 375010816 /nfs/dbraw/zinc/01/08/16/375010816.db2.gz CCMCYIZDAKISQS-HNNXBMFYSA-N 1 2 277.318 3.105 20 30 CGEDLO CCC[N@H+](CC#Cc1ccccc1)[C@H](CC)C(=O)OCC ZINC000484539404 375189267 /nfs/dbraw/zinc/18/92/67/375189267.db2.gz LPDBSPHLNTXCBD-QGZVFWFLSA-N 1 2 287.403 3.092 20 30 CGEDLO CCC[N@@H+](CC#Cc1ccccc1)[C@H](CC)C(=O)OCC ZINC000484539404 375189273 /nfs/dbraw/zinc/18/92/73/375189273.db2.gz LPDBSPHLNTXCBD-QGZVFWFLSA-N 1 2 287.403 3.092 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488301638 375306737 /nfs/dbraw/zinc/30/67/37/375306737.db2.gz RDYMPHSVAGFZEZ-NSHDSACASA-N 1 2 271.339 3.431 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488301638 375306741 /nfs/dbraw/zinc/30/67/41/375306741.db2.gz RDYMPHSVAGFZEZ-NSHDSACASA-N 1 2 271.339 3.431 20 30 CGEDLO C[N@H+](CCC#N)CCc1cc(Cl)ccc1Cl ZINC000488234099 375307143 /nfs/dbraw/zinc/30/71/43/375307143.db2.gz SBRDQGWGHKMWEZ-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO C[N@@H+](CCC#N)CCc1cc(Cl)ccc1Cl ZINC000488234099 375307147 /nfs/dbraw/zinc/30/71/47/375307147.db2.gz SBRDQGWGHKMWEZ-UHFFFAOYSA-N 1 2 257.164 3.381 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)no1 ZINC000189091011 375323840 /nfs/dbraw/zinc/32/38/40/375323840.db2.gz JNLVVVXXNBFWIA-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)no1 ZINC000189091011 375323847 /nfs/dbraw/zinc/32/38/47/375323847.db2.gz JNLVVVXXNBFWIA-GFCCVEGCSA-N 1 2 255.321 3.048 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000500838696 375637774 /nfs/dbraw/zinc/63/77/74/375637774.db2.gz ZUSUJFLTGWSDQM-UKRRQHHQSA-N 1 2 261.365 3.153 20 30 CGEDLO C/C(Cl)=C\C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000528415071 375901933 /nfs/dbraw/zinc/90/19/33/375901933.db2.gz CFWSRYVIIAZSPZ-SNQWNFELSA-N 1 2 289.810 3.011 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000532817640 375953950 /nfs/dbraw/zinc/95/39/50/375953950.db2.gz HNMIQNPXJXPFDK-ZDUSSCGKSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000532817640 375953956 /nfs/dbraw/zinc/95/39/56/375953956.db2.gz HNMIQNPXJXPFDK-ZDUSSCGKSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@H](C#N)C[N@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000533597746 375955895 /nfs/dbraw/zinc/95/58/95/375955895.db2.gz LQKNFSSHFMMHEU-CYBMUJFWSA-N 1 2 272.779 3.316 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000533597746 375955901 /nfs/dbraw/zinc/95/59/01/375955901.db2.gz LQKNFSSHFMMHEU-CYBMUJFWSA-N 1 2 272.779 3.316 20 30 CGEDLO C=CC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537125278 376148985 /nfs/dbraw/zinc/14/89/85/376148985.db2.gz HOILXRIIMBIHOF-UHFFFAOYSA-N 1 2 266.182 3.302 20 30 CGEDLO C=CC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537125278 376148986 /nfs/dbraw/zinc/14/89/86/376148986.db2.gz HOILXRIIMBIHOF-UHFFFAOYSA-N 1 2 266.182 3.302 20 30 CGEDLO N#Cc1cccnc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000198913966 376122655 /nfs/dbraw/zinc/12/26/55/376122655.db2.gz LHKZABVGZURANH-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO CCC[C@@H](C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000538308402 376233783 /nfs/dbraw/zinc/23/37/83/376233783.db2.gz OQZNJKDTKTVNMO-SJLPKXTDSA-N 1 2 285.435 3.133 20 30 CGEDLO CCC[C@@H](C)C[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000538308402 376233787 /nfs/dbraw/zinc/23/37/87/376233787.db2.gz OQZNJKDTKTVNMO-SJLPKXTDSA-N 1 2 285.435 3.133 20 30 CGEDLO Cc1[nH+]c(C(C)C)ccc1COc1cccnc1C#N ZINC000338568569 376432040 /nfs/dbraw/zinc/43/20/40/376432040.db2.gz QMFKQHTYWOTHTI-UHFFFAOYSA-N 1 2 267.332 3.359 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000339763118 376836754 /nfs/dbraw/zinc/83/67/54/376836754.db2.gz MHWWGWYKMHSBDE-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccc(C)o2)n1 ZINC000339763118 376836763 /nfs/dbraw/zinc/83/67/63/376836763.db2.gz MHWWGWYKMHSBDE-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1F ZINC000339769614 376837023 /nfs/dbraw/zinc/83/70/23/376837023.db2.gz PQALTLDHQYXRDS-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1F ZINC000339769614 376837030 /nfs/dbraw/zinc/83/70/30/376837030.db2.gz PQALTLDHQYXRDS-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1nc2ccccc2o1 ZINC000245556580 376853744 /nfs/dbraw/zinc/85/37/44/376853744.db2.gz UIYVQDQPMNILIZ-VXGBXAGGSA-N 1 2 257.337 3.370 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1nc2ccccc2o1 ZINC000245556580 376853752 /nfs/dbraw/zinc/85/37/52/376853752.db2.gz UIYVQDQPMNILIZ-VXGBXAGGSA-N 1 2 257.337 3.370 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000342579732 377670622 /nfs/dbraw/zinc/67/06/22/377670622.db2.gz QIFFCEQHIFMQDN-GFCCVEGCSA-N 1 2 278.783 3.341 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3cscc3C#N)cc2[nH+]1 ZINC000343064807 377891289 /nfs/dbraw/zinc/89/12/89/377891289.db2.gz NAZDDHNQPJVTLM-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3cscc3C#N)ccc2[nH+]1 ZINC000343064807 377891295 /nfs/dbraw/zinc/89/12/95/377891295.db2.gz NAZDDHNQPJVTLM-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO CCCCCCCCCN(C)C(=O)NCc1[nH+]ccn1C ZINC000264103980 377956485 /nfs/dbraw/zinc/95/64/85/377956485.db2.gz FUDQOOWQVSOMNB-UHFFFAOYSA-N 1 2 294.443 3.312 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)CC1 ZINC000343311078 377950383 /nfs/dbraw/zinc/95/03/83/377950383.db2.gz NLRUAXJCMGDYQN-LBPRGKRZSA-N 1 2 274.389 3.089 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)CC1 ZINC000343311078 377950387 /nfs/dbraw/zinc/95/03/87/377950387.db2.gz NLRUAXJCMGDYQN-LBPRGKRZSA-N 1 2 274.389 3.089 20 30 CGEDLO C=CCCCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000267230247 378033534 /nfs/dbraw/zinc/03/35/34/378033534.db2.gz WBXYCUKKLSSVFG-UHFFFAOYSA-N 1 2 287.407 3.044 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)nn1 ZINC000580768653 378257113 /nfs/dbraw/zinc/25/71/13/378257113.db2.gz MJWVZUKFKHEAEK-JTQLQIEISA-N 1 2 294.761 3.107 20 30 CGEDLO C=CCCOCCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000270221149 378324702 /nfs/dbraw/zinc/32/47/02/378324702.db2.gz NHRGYABGDSHKFL-UHFFFAOYSA-N 1 2 298.390 3.160 20 30 CGEDLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccc(C#N)cc1 ZINC000270288062 378330757 /nfs/dbraw/zinc/33/07/57/378330757.db2.gz LHXPGOKGFYTQTC-GFCCVEGCSA-N 1 2 293.374 3.343 20 30 CGEDLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccc(C#N)cc1 ZINC000270288062 378330760 /nfs/dbraw/zinc/33/07/60/378330760.db2.gz LHXPGOKGFYTQTC-GFCCVEGCSA-N 1 2 293.374 3.343 20 30 CGEDLO COc1ccc2ccccc2c1C[N@H+](C)C[C@H](C)C#N ZINC000271120341 378456581 /nfs/dbraw/zinc/45/65/81/378456581.db2.gz HQSUFAQPAAPJTP-CYBMUJFWSA-N 1 2 268.360 3.440 20 30 CGEDLO COc1ccc2ccccc2c1C[N@@H+](C)C[C@H](C)C#N ZINC000271120341 378456587 /nfs/dbraw/zinc/45/65/87/378456587.db2.gz HQSUFAQPAAPJTP-CYBMUJFWSA-N 1 2 268.360 3.440 20 30 CGEDLO CCCCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC ZINC000271139947 378461657 /nfs/dbraw/zinc/46/16/57/378461657.db2.gz UQXAAJDHDUUXQT-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO CCCCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC ZINC000271139947 378461667 /nfs/dbraw/zinc/46/16/67/378461667.db2.gz UQXAAJDHDUUXQT-CQSZACIVSA-N 1 2 290.407 3.466 20 30 CGEDLO COCc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000266188023 190238756 /nfs/dbraw/zinc/23/87/56/190238756.db2.gz HWBGUIXYSGAEMX-NSHDSACASA-N 1 2 287.388 3.012 20 30 CGEDLO C=CCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000373657638 379315530 /nfs/dbraw/zinc/31/55/30/379315530.db2.gz CGGRNUSABAOQQG-UHFFFAOYSA-N 1 2 255.321 3.290 20 30 CGEDLO C=CCC[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279425784 379431779 /nfs/dbraw/zinc/43/17/79/379431779.db2.gz PRUXURMPJKLFFD-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO C=CCC[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279425784 379431785 /nfs/dbraw/zinc/43/17/85/379431785.db2.gz PRUXURMPJKLFFD-UHFFFAOYSA-N 1 2 250.289 3.170 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540699 379457183 /nfs/dbraw/zinc/45/71/83/379457183.db2.gz YGEGOUAVIXZIQC-OLZOCXBDSA-N 1 2 299.340 3.484 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540699 379457188 /nfs/dbraw/zinc/45/71/88/379457188.db2.gz YGEGOUAVIXZIQC-OLZOCXBDSA-N 1 2 299.340 3.484 20 30 CGEDLO N#C[C@@H]1[N@H+](CCCCCF)CCC[C@@]12CCCCO2 ZINC000375362802 379493480 /nfs/dbraw/zinc/49/34/80/379493480.db2.gz RRWZDOAEZNERFD-GJZGRUSLSA-N 1 2 268.376 3.053 20 30 CGEDLO N#C[C@@H]1[N@@H+](CCCCCF)CCC[C@@]12CCCCO2 ZINC000375362802 379493485 /nfs/dbraw/zinc/49/34/85/379493485.db2.gz RRWZDOAEZNERFD-GJZGRUSLSA-N 1 2 268.376 3.053 20 30 CGEDLO C#CCC(C)(C)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280129209 379615298 /nfs/dbraw/zinc/61/52/98/379615298.db2.gz WKZZRPLOBHGSPO-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO COc1cc2c(cc1F)C[N@H+](Cc1ccccc1C#N)CC2 ZINC000347694166 218324164 /nfs/dbraw/zinc/32/41/64/218324164.db2.gz ZYNVRGKECCRINX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc2c(cc1F)C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000347694166 218324166 /nfs/dbraw/zinc/32/41/66/218324166.db2.gz ZYNVRGKECCRINX-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ccon2)cc1OC ZINC000351591061 379728832 /nfs/dbraw/zinc/72/88/32/379728832.db2.gz BBMYMOUSSIFCTA-GFCCVEGCSA-N 1 2 288.347 3.099 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000281395676 379831565 /nfs/dbraw/zinc/83/15/65/379831565.db2.gz XEORMQQMMBVLLK-OAHLLOKOSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000281395676 379831569 /nfs/dbraw/zinc/83/15/69/379831569.db2.gz XEORMQQMMBVLLK-OAHLLOKOSA-N 1 2 286.404 3.080 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccsc1Br ZINC000388411286 379888158 /nfs/dbraw/zinc/88/81/58/379888158.db2.gz XVRQVIBDNBMLTD-VIFPVBQESA-N 1 2 273.199 3.292 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000267846862 190358065 /nfs/dbraw/zinc/35/80/65/190358065.db2.gz DGZAZAIFGSYKPH-CQSZACIVSA-N 1 2 288.391 3.086 20 30 CGEDLO COc1ccccc1C(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000352852505 380005669 /nfs/dbraw/zinc/00/56/69/380005669.db2.gz KKUIRDONOFHJHD-UHFFFAOYSA-N 1 2 287.388 3.048 20 30 CGEDLO N#CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000411366850 380141551 /nfs/dbraw/zinc/14/15/51/380141551.db2.gz QQJGPTAJFCHKNX-UHFFFAOYSA-N 1 2 254.255 3.198 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)OC(C)(C)C ZINC000411481628 380147415 /nfs/dbraw/zinc/14/74/15/380147415.db2.gz AZQBGGBYTMJAID-CYBMUJFWSA-N 1 2 279.380 3.040 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)OC(C)(C)C ZINC000411481628 380147427 /nfs/dbraw/zinc/14/74/27/380147427.db2.gz AZQBGGBYTMJAID-CYBMUJFWSA-N 1 2 279.380 3.040 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486471 380801545 /nfs/dbraw/zinc/80/15/45/380801545.db2.gz YDBMMDMISZWBSY-DZGCQCFKSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000356486471 380801547 /nfs/dbraw/zinc/80/15/47/380801547.db2.gz YDBMMDMISZWBSY-DZGCQCFKSA-N 1 2 287.407 3.112 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420827103 380856334 /nfs/dbraw/zinc/85/63/34/380856334.db2.gz RHFRISTUXMVESW-LBPRGKRZSA-N 1 2 275.396 3.242 20 30 CGEDLO C=C(CC)C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000358512423 381313887 /nfs/dbraw/zinc/31/38/87/381313887.db2.gz SLIPMQAWNVVXQA-INIZCTEOSA-N 1 2 283.375 3.444 20 30 CGEDLO C=C(CC)C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000358512423 381313896 /nfs/dbraw/zinc/31/38/96/381313896.db2.gz SLIPMQAWNVVXQA-INIZCTEOSA-N 1 2 283.375 3.444 20 30 CGEDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000361833937 381871604 /nfs/dbraw/zinc/87/16/04/381871604.db2.gz QDFRAHVHJOGZTL-UHFFFAOYSA-N 1 2 292.338 3.005 20 30 CGEDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000361833937 381871611 /nfs/dbraw/zinc/87/16/11/381871611.db2.gz QDFRAHVHJOGZTL-UHFFFAOYSA-N 1 2 292.338 3.005 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)s1 ZINC000362962208 382165366 /nfs/dbraw/zinc/16/53/66/382165366.db2.gz AZAPTTMXCOFNOW-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334970570 207388646 /nfs/dbraw/zinc/38/86/46/207388646.db2.gz ZUIUHEDPNRHSHS-OAHLLOKOSA-N 1 2 290.794 3.091 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000334970570 207388654 /nfs/dbraw/zinc/38/86/54/207388654.db2.gz ZUIUHEDPNRHSHS-OAHLLOKOSA-N 1 2 290.794 3.091 20 30 CGEDLO Cc1cc(F)ccc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000488045519 262278854 /nfs/dbraw/zinc/27/88/54/262278854.db2.gz UBKXPFAKCSHKQE-ZDUSSCGKSA-N 1 2 259.328 3.009 20 30 CGEDLO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000488045519 262278856 /nfs/dbraw/zinc/27/88/56/262278856.db2.gz UBKXPFAKCSHKQE-ZDUSSCGKSA-N 1 2 259.328 3.009 20 30 CGEDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C#N)o3)CCO2)cc1 ZINC000191665681 130273962 /nfs/dbraw/zinc/27/39/62/130273962.db2.gz ICICUUZJDWTTCV-GOSISDBHSA-N 1 2 296.370 3.287 20 30 CGEDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C#N)o3)CCO2)cc1 ZINC000191665681 130273964 /nfs/dbraw/zinc/27/39/64/130273964.db2.gz ICICUUZJDWTTCV-GOSISDBHSA-N 1 2 296.370 3.287 20 30 CGEDLO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000048755903 392012393 /nfs/dbraw/zinc/01/23/93/392012393.db2.gz NDMVZBHCQXLYGM-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000048755903 392012396 /nfs/dbraw/zinc/01/23/96/392012396.db2.gz NDMVZBHCQXLYGM-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO COCc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000093563218 392239597 /nfs/dbraw/zinc/23/95/97/392239597.db2.gz JUMCJNPNWAVCKU-UHFFFAOYSA-N 1 2 258.365 3.101 20 30 CGEDLO COCc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000093563218 392239598 /nfs/dbraw/zinc/23/95/98/392239598.db2.gz JUMCJNPNWAVCKU-UHFFFAOYSA-N 1 2 258.365 3.101 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000093090677 392233991 /nfs/dbraw/zinc/23/39/91/392233991.db2.gz IRRQKPGXLGDIKW-GFCCVEGCSA-N 1 2 258.365 3.134 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000093090677 392233996 /nfs/dbraw/zinc/23/39/96/392233996.db2.gz IRRQKPGXLGDIKW-GFCCVEGCSA-N 1 2 258.365 3.134 20 30 CGEDLO C=C1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000284152646 392310709 /nfs/dbraw/zinc/31/07/09/392310709.db2.gz POGYSJJLEJHXSH-CYBMUJFWSA-N 1 2 269.348 3.450 20 30 CGEDLO C#CC[C@@H]([NH2+][C@@H](C)c1cc(C)on1)c1ccccc1 ZINC000285042816 392317667 /nfs/dbraw/zinc/31/76/67/392317667.db2.gz IDLQUVVGYKBSHS-DZGCQCFKSA-N 1 2 254.333 3.398 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000097078775 392259298 /nfs/dbraw/zinc/25/92/98/392259298.db2.gz ZAQJARPJZLKLCE-SNVBAGLBSA-N 1 2 254.280 3.022 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000097078775 392259301 /nfs/dbraw/zinc/25/93/01/392259301.db2.gz ZAQJARPJZLKLCE-SNVBAGLBSA-N 1 2 254.280 3.022 20 30 CGEDLO Cc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000286102901 392375815 /nfs/dbraw/zinc/37/58/15/392375815.db2.gz MQIBNQDTEGHASD-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO C=CC[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000289098488 392413209 /nfs/dbraw/zinc/41/32/09/392413209.db2.gz LVROPAXCTHBGSA-CYBMUJFWSA-N 1 2 288.416 3.385 20 30 CGEDLO C=CC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000289098488 392413212 /nfs/dbraw/zinc/41/32/12/392413212.db2.gz LVROPAXCTHBGSA-CYBMUJFWSA-N 1 2 288.416 3.385 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(C#N)CC2)cc1Br ZINC000123717852 392430205 /nfs/dbraw/zinc/43/02/05/392430205.db2.gz BRTAHUCHIIKVAD-UHFFFAOYSA-N 1 2 293.208 3.493 20 30 CGEDLO CC(C)[C@H](NC(=O)[C@@H]1CCCSC1)c1[nH]cc[nH+]1 ZINC000329604298 392688886 /nfs/dbraw/zinc/68/88/86/392688886.db2.gz YUPKJBUXXPRZIG-MNOVXSKESA-N 1 2 267.398 3.207 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192182077 392840585 /nfs/dbraw/zinc/84/05/85/392840585.db2.gz QZYHCBIBMGCSLY-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000335728515 392810569 /nfs/dbraw/zinc/81/05/69/392810569.db2.gz DACMTCCDDXHMPB-HIFRSBDPSA-N 1 2 266.348 3.367 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000519716187 392887167 /nfs/dbraw/zinc/88/71/67/392887167.db2.gz WWDBLHDBLQBKLF-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000519716187 392887173 /nfs/dbraw/zinc/88/71/73/392887173.db2.gz WWDBLHDBLQBKLF-LBPRGKRZSA-N 1 2 287.338 3.200 20 30 CGEDLO CCOc1ccccc1OCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338382187 392914479 /nfs/dbraw/zinc/91/44/79/392914479.db2.gz WIEBMWSEDREEDM-CQSZACIVSA-N 1 2 288.391 3.088 20 30 CGEDLO CCOc1ccccc1OCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338382187 392914484 /nfs/dbraw/zinc/91/44/84/392914484.db2.gz WIEBMWSEDREEDM-CQSZACIVSA-N 1 2 288.391 3.088 20 30 CGEDLO C#CCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270533392 393238612 /nfs/dbraw/zinc/23/86/12/393238612.db2.gz GBIWPORXCUADPB-SWLSCSKDSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270533392 393238621 /nfs/dbraw/zinc/23/86/21/393238621.db2.gz GBIWPORXCUADPB-SWLSCSKDSA-N 1 2 263.768 3.125 20 30 CGEDLO C=CCOCCCSCc1[nH+]ccn1C(C)C ZINC000359157076 393539371 /nfs/dbraw/zinc/53/93/71/393539371.db2.gz SXEKAXZYGPXRKO-UHFFFAOYSA-N 1 2 254.399 3.290 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649724820 393559395 /nfs/dbraw/zinc/55/93/95/393559395.db2.gz XKYVCQSCFJNLRH-OAHLLOKOSA-N 1 2 289.423 3.429 20 30 CGEDLO N#Cc1nn(Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc12 ZINC000432458006 393614430 /nfs/dbraw/zinc/61/44/30/393614430.db2.gz SMMCJELNDANZFN-UHFFFAOYSA-N 1 2 299.337 3.142 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000491669912 393697878 /nfs/dbraw/zinc/69/78/78/393697878.db2.gz QFTIGMFXRMHUPI-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000491669912 393697881 /nfs/dbraw/zinc/69/78/81/393697881.db2.gz QFTIGMFXRMHUPI-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C=CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H](C)COC ZINC000667118969 542844728 /nfs/dbraw/zinc/84/47/28/542844728.db2.gz DKPWDTSWNTWCDY-CYBMUJFWSA-N 1 2 291.395 3.062 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000450663239 394032909 /nfs/dbraw/zinc/03/29/09/394032909.db2.gz RQFJCLPJFPHDMA-SNVBAGLBSA-N 1 2 250.292 3.309 20 30 CGEDLO Cn1cc[nH+]c1CNc1cccc(C#Cc2cccs2)c1 ZINC000675150817 543317224 /nfs/dbraw/zinc/31/72/24/543317224.db2.gz WNBCJZINYUPGJK-UHFFFAOYSA-N 1 2 293.395 3.494 20 30 CGEDLO FC1(F)CC2(C[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000677731394 543461728 /nfs/dbraw/zinc/46/17/28/543461728.db2.gz JQCQJJQVMNYWIM-UHFFFAOYSA-N 1 2 281.733 3.423 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Br)ccc1C ZINC000313771198 416535732 /nfs/dbraw/zinc/53/57/32/416535732.db2.gz RSODVIBEPJASHO-UHFFFAOYSA-N 1 2 281.197 3.493 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Br)ccc1C ZINC000313771198 416535736 /nfs/dbraw/zinc/53/57/36/416535736.db2.gz RSODVIBEPJASHO-UHFFFAOYSA-N 1 2 281.197 3.493 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000334666334 225270337 /nfs/dbraw/zinc/27/03/37/225270337.db2.gz HLMRNUQXFFNLFV-AWEZNQCLSA-N 1 2 262.303 3.405 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)CC1 ZINC000334666334 225270340 /nfs/dbraw/zinc/27/03/40/225270340.db2.gz HLMRNUQXFFNLFV-AWEZNQCLSA-N 1 2 262.303 3.405 20 30 CGEDLO C=CCC1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CCC1 ZINC000682913166 543877779 /nfs/dbraw/zinc/87/77/79/543877779.db2.gz RUDSTBVASDLMFB-UHFFFAOYSA-N 1 2 297.402 3.048 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000683097385 543894332 /nfs/dbraw/zinc/89/43/32/543894332.db2.gz HLVCLRLGGWGQPD-MRXNPFEDSA-N 1 2 293.414 3.341 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000683097385 543894342 /nfs/dbraw/zinc/89/43/42/543894342.db2.gz HLVCLRLGGWGQPD-MRXNPFEDSA-N 1 2 293.414 3.341 20 30 CGEDLO C=C(C)C(C)(C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664983602 419033852 /nfs/dbraw/zinc/03/38/52/419033852.db2.gz GYMKATLHDPCLDG-UHFFFAOYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CCCC(C)(C)NC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000665046237 419045064 /nfs/dbraw/zinc/04/50/64/419045064.db2.gz RQQSVFPNBKIWMB-LBPRGKRZSA-N 1 2 278.400 3.008 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H](C)COC ZINC000661239310 419243409 /nfs/dbraw/zinc/24/34/09/419243409.db2.gz FEGXJSDBJNZNCU-SECBINFHSA-N 1 2 294.342 3.185 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H](C)COC ZINC000661239310 419243410 /nfs/dbraw/zinc/24/34/10/419243410.db2.gz FEGXJSDBJNZNCU-SECBINFHSA-N 1 2 294.342 3.185 20 30 CGEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661727859 419291401 /nfs/dbraw/zinc/29/14/01/419291401.db2.gz RBKYMBXTIBBGRP-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(C)CC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661727859 419291402 /nfs/dbraw/zinc/29/14/02/419291402.db2.gz RBKYMBXTIBBGRP-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000331381671 228096608 /nfs/dbraw/zinc/09/66/08/228096608.db2.gz GUDVRTZPOGTATE-MFKMUULPSA-N 1 2 273.361 3.185 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(CC)no1 ZINC000297852450 260135944 /nfs/dbraw/zinc/13/59/44/260135944.db2.gz LIRSLGLKYYKOOI-ZDUSSCGKSA-N 1 2 271.364 3.381 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(CC)no1 ZINC000297852450 260135945 /nfs/dbraw/zinc/13/59/45/260135945.db2.gz LIRSLGLKYYKOOI-ZDUSSCGKSA-N 1 2 271.364 3.381 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000059917525 260229723 /nfs/dbraw/zinc/22/97/23/260229723.db2.gz YRNCIEDFIXIWRS-SECBINFHSA-N 1 2 285.160 3.322 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000059917525 260229722 /nfs/dbraw/zinc/22/97/22/260229722.db2.gz YRNCIEDFIXIWRS-SECBINFHSA-N 1 2 285.160 3.322 20 30 CGEDLO C[N@@H+](Cc1ccccc1Cl)C[C@H](C#N)CCC#N ZINC000072589931 260277030 /nfs/dbraw/zinc/27/70/30/260277030.db2.gz WVWIPIOKUWLWGI-LBPRGKRZSA-N 1 2 261.756 3.215 20 30 CGEDLO C[N@H+](Cc1ccccc1Cl)C[C@H](C#N)CCC#N ZINC000072589931 260277031 /nfs/dbraw/zinc/27/70/31/260277031.db2.gz WVWIPIOKUWLWGI-LBPRGKRZSA-N 1 2 261.756 3.215 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000129789792 260390314 /nfs/dbraw/zinc/39/03/14/260390314.db2.gz GFBDXAPDPKTEBC-LURJTMIESA-N 1 2 281.606 3.309 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCC[C@H]3OCC[C@@H]32)c1O ZINC000155081603 261097766 /nfs/dbraw/zinc/09/77/66/261097766.db2.gz FOOHCECYDUVPAZ-ZEFUEXOISA-N 1 2 289.375 3.167 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCC[C@H]2CCCCO2)c1 ZINC000184306818 262015997 /nfs/dbraw/zinc/01/59/97/262015997.db2.gz XENCZTVLNKGEAT-RFRKOGIWSA-N 1 2 277.364 3.169 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1noc(-c2ccccc2)n1 ZINC000192960648 262213225 /nfs/dbraw/zinc/21/32/25/262213225.db2.gz IEJBVEKUVJMOJA-YDHLFZDLSA-N 1 2 296.374 3.470 20 30 CGEDLO CCc1cc(N)nc(SCCC2(C#N)CCCCC2)[nH+]1 ZINC000413004509 262752118 /nfs/dbraw/zinc/75/21/18/262752118.db2.gz KGRKWIBYYTYOKZ-UHFFFAOYSA-N 1 2 290.436 3.408 20 30 CGEDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272512512 263005599 /nfs/dbraw/zinc/00/55/99/263005599.db2.gz GIFYWYWUVGQCJH-OAHLLOKOSA-N 1 2 299.418 3.256 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000272517616 263005660 /nfs/dbraw/zinc/00/56/60/263005660.db2.gz KNYMRMJWFDBNMZ-ZDUSSCGKSA-N 1 2 291.420 3.120 20 30 CGEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000273547238 263017776 /nfs/dbraw/zinc/01/77/76/263017776.db2.gz YBNVDTHQKQLFQE-AWEZNQCLSA-N 1 2 277.368 3.300 20 30 CGEDLO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(C(F)F)n1 ZINC000274441881 263024179 /nfs/dbraw/zinc/02/41/79/263024179.db2.gz CDZZFNNJKOXYBC-UHFFFAOYSA-N 1 2 284.354 3.119 20 30 CGEDLO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(C(F)F)n1 ZINC000274441881 263024180 /nfs/dbraw/zinc/02/41/80/263024180.db2.gz CDZZFNNJKOXYBC-UHFFFAOYSA-N 1 2 284.354 3.119 20 30 CGEDLO C[C@@H]1COCC[C@@H]1/[NH+]=C/c1c(O)ccc2ccccc21 ZINC000277382849 263040949 /nfs/dbraw/zinc/04/09/49/263040949.db2.gz NHJWDPBFZSEWQO-JZRACIIKSA-N 1 2 269.344 3.389 20 30 CGEDLO CSc1ccccc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000280628922 263063410 /nfs/dbraw/zinc/06/34/10/263063410.db2.gz YRCIATLSTUDXQS-CYBMUJFWSA-N 1 2 273.405 3.284 20 30 CGEDLO CSc1ccccc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000280628922 263063411 /nfs/dbraw/zinc/06/34/11/263063411.db2.gz YRCIATLSTUDXQS-CYBMUJFWSA-N 1 2 273.405 3.284 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000285229100 263091452 /nfs/dbraw/zinc/09/14/52/263091452.db2.gz YAJUTZZXHAKJCK-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO N#CCCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287529266 263102172 /nfs/dbraw/zinc/10/21/72/263102172.db2.gz XLBPARFDCLQJOM-UHFFFAOYSA-N 1 2 253.349 3.151 20 30 CGEDLO N#CCCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287529266 263102173 /nfs/dbraw/zinc/10/21/73/263102173.db2.gz XLBPARFDCLQJOM-UHFFFAOYSA-N 1 2 253.349 3.151 20 30 CGEDLO C=CC[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC#N ZINC000292847140 263135867 /nfs/dbraw/zinc/13/58/67/263135867.db2.gz SWPYDOHSGZCEEU-HWKANZROSA-N 1 2 262.303 3.380 20 30 CGEDLO C=CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCC#N ZINC000292847140 263135868 /nfs/dbraw/zinc/13/58/68/263135868.db2.gz SWPYDOHSGZCEEU-HWKANZROSA-N 1 2 262.303 3.380 20 30 CGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292897030 263136348 /nfs/dbraw/zinc/13/63/48/263136348.db2.gz VREKIQAYFKOKAH-RKDXNWHRSA-N 1 2 289.326 3.286 20 30 CGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292897030 263136349 /nfs/dbraw/zinc/13/63/49/263136349.db2.gz VREKIQAYFKOKAH-RKDXNWHRSA-N 1 2 289.326 3.286 20 30 CGEDLO CCC[N@H+](CC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000294967744 263170166 /nfs/dbraw/zinc/17/01/66/263170166.db2.gz WOGOVDBEOILOKC-NSHDSACASA-N 1 2 252.308 3.304 20 30 CGEDLO CCC[N@@H+](CC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000294967744 263170168 /nfs/dbraw/zinc/17/01/68/263170168.db2.gz WOGOVDBEOILOKC-NSHDSACASA-N 1 2 252.308 3.304 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(F)cncc1F ZINC000353209619 263180665 /nfs/dbraw/zinc/18/06/65/263180665.db2.gz ZPNDGNJRVXVWQG-NSHDSACASA-N 1 2 290.288 3.201 20 30 CGEDLO C=C(CNc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC000340964779 263316480 /nfs/dbraw/zinc/31/64/80/263316480.db2.gz MPQTTZTWECZCDY-UHFFFAOYSA-N 1 2 265.360 3.210 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(Cl)cc2c1OCC2)C1CC1 ZINC000341126003 263323128 /nfs/dbraw/zinc/32/31/28/263323128.db2.gz BVHPODCUXYQGMJ-LLVKDONJSA-N 1 2 290.794 3.399 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C1CC1 ZINC000341126003 263323129 /nfs/dbraw/zinc/32/31/29/263323129.db2.gz BVHPODCUXYQGMJ-LLVKDONJSA-N 1 2 290.794 3.399 20 30 CGEDLO Cc1nc(C2([NH2+]Cc3ccc(CC#N)cc3)CCCC2)no1 ZINC000342747545 263473237 /nfs/dbraw/zinc/47/32/37/263473237.db2.gz GTXGDIWJZGSBRC-UHFFFAOYSA-N 1 2 296.374 3.003 20 30 CGEDLO CCC(CC)(CO)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331289273 264196827 /nfs/dbraw/zinc/19/68/27/264196827.db2.gz AUOTYOUDGRRDAZ-UHFFFAOYSA-N 1 2 293.411 3.131 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)cccc1Cl ZINC000130490506 264352775 /nfs/dbraw/zinc/35/27/75/264352775.db2.gz QKFRCFWSGZLQTD-UHFFFAOYSA-N 1 2 278.783 3.261 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000293014612 264906738 /nfs/dbraw/zinc/90/67/38/264906738.db2.gz DXIMJULKNLYMSO-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000293014612 264906740 /nfs/dbraw/zinc/90/67/40/264906740.db2.gz DXIMJULKNLYMSO-ZDUSSCGKSA-N 1 2 269.348 3.061 20 30 CGEDLO Cc1cc(N2CCC[C@H](Nc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000521033690 270099976 /nfs/dbraw/zinc/09/99/76/270099976.db2.gz YPSAOWBTOVITFG-KRWDZBQOSA-N 1 2 292.386 3.343 20 30 CGEDLO C=CCCC1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000356628639 266150966 /nfs/dbraw/zinc/15/09/66/266150966.db2.gz JTISFLOHVYJTBU-UHFFFAOYSA-N 1 2 295.386 3.439 20 30 CGEDLO C=C[C@@H]1CCCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000362850552 267054013 /nfs/dbraw/zinc/05/40/13/267054013.db2.gz BTROVGVZXCISHF-CQSZACIVSA-N 1 2 272.396 3.012 20 30 CGEDLO C=C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000362850552 267054016 /nfs/dbraw/zinc/05/40/16/267054016.db2.gz BTROVGVZXCISHF-CQSZACIVSA-N 1 2 272.396 3.012 20 30 CGEDLO CCn1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367467967 267092655 /nfs/dbraw/zinc/09/26/55/267092655.db2.gz ZPRXKQWBAFPHEH-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000367467967 267092658 /nfs/dbraw/zinc/09/26/58/267092658.db2.gz ZPRXKQWBAFPHEH-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cc3ccccc3o2)n1 ZINC000554979226 289321752 /nfs/dbraw/zinc/32/17/52/289321752.db2.gz QYKLZNNAMITOKH-UHFFFAOYSA-N 1 2 269.329 3.051 20 30 CGEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000563462668 328068091 /nfs/dbraw/zinc/06/80/91/328068091.db2.gz PRHKUUNUHGCLAM-UHFFFAOYSA-N 1 2 292.382 3.247 20 30 CGEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000563462668 328068093 /nfs/dbraw/zinc/06/80/93/328068093.db2.gz PRHKUUNUHGCLAM-UHFFFAOYSA-N 1 2 292.382 3.247 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(C)nn1)c1ccc(F)c(F)c1 ZINC000414427635 328168180 /nfs/dbraw/zinc/16/81/80/328168180.db2.gz FPUFDMGLWPNDNF-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000267157755 328173414 /nfs/dbraw/zinc/17/34/14/328173414.db2.gz PFVRNVFWDJSHRF-VIFPVBQESA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000267157755 328173416 /nfs/dbraw/zinc/17/34/16/328173416.db2.gz PFVRNVFWDJSHRF-VIFPVBQESA-N 1 2 285.160 3.180 20 30 CGEDLO CC(C)(O)COc1ccc([NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274207694 328209658 /nfs/dbraw/zinc/20/96/58/328209658.db2.gz MPVFIRIIFSOVMK-HIFRSBDPSA-N 1 2 288.391 3.331 20 30 CGEDLO CC(C)(C#N)CC[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000288753831 328253432 /nfs/dbraw/zinc/25/34/32/328253432.db2.gz RHODPPMNVHNNGR-HNNXBMFYSA-N 1 2 274.364 3.206 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000565843064 327035491 /nfs/dbraw/zinc/03/54/91/327035491.db2.gz XFMNOFURBPHPCU-UHFFFAOYSA-N 1 2 285.391 3.161 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000565843064 327035492 /nfs/dbraw/zinc/03/54/92/327035492.db2.gz XFMNOFURBPHPCU-UHFFFAOYSA-N 1 2 285.391 3.161 20 30 CGEDLO CC(C)(C#N)CCOc1ccccc1-n1cc[nH+]c1 ZINC000558588411 327107562 /nfs/dbraw/zinc/10/75/62/327107562.db2.gz ZXVTYKKZOIIUFV-UHFFFAOYSA-N 1 2 255.321 3.191 20 30 CGEDLO CCCCCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374328698 328991986 /nfs/dbraw/zinc/99/19/86/328991986.db2.gz KAJMIHBZHNNNGF-CQSZACIVSA-N 1 2 277.412 3.097 20 30 CGEDLO Cc1ccc(C(=O)N[C@H](C)CC#N)cc1Oc1cc[nH+]cc1 ZINC000172207091 329083831 /nfs/dbraw/zinc/08/38/31/329083831.db2.gz AMPUWSLAOKDMHO-CYBMUJFWSA-N 1 2 295.342 3.214 20 30 CGEDLO C[C@@H]1C[NH+](Cc2cccc(F)c2C#N)C[C@@H](C)S1 ZINC000582523215 329106670 /nfs/dbraw/zinc/10/66/70/329106670.db2.gz GABHOQMBJNWCSH-GHMZBOCLSA-N 1 2 264.369 3.023 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000181277649 329229065 /nfs/dbraw/zinc/22/90/65/329229065.db2.gz VWEANYOGSURTDL-UHFFFAOYSA-N 1 2 287.363 3.062 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000181277649 329229067 /nfs/dbraw/zinc/22/90/67/329229067.db2.gz VWEANYOGSURTDL-UHFFFAOYSA-N 1 2 287.363 3.062 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000184090973 329256086 /nfs/dbraw/zinc/25/60/86/329256086.db2.gz CWILDSHPNGXAFK-NSHDSACASA-N 1 2 284.306 3.078 20 30 CGEDLO C=CCNC(=O)c1ccccc1NCc1ccc(C)[nH+]c1C ZINC000187714056 329362741 /nfs/dbraw/zinc/36/27/41/329362741.db2.gz DEVVTAWIBYIYKG-UHFFFAOYSA-N 1 2 295.386 3.226 20 30 CGEDLO N#CC1(CSCc2[nH+]ccn2CC(F)(F)F)CCC1 ZINC000419447218 329729950 /nfs/dbraw/zinc/72/99/50/329729950.db2.gz WKGFJOWEODSUGC-UHFFFAOYSA-N 1 2 289.326 3.372 20 30 CGEDLO C=C(C)COc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000572004333 329936643 /nfs/dbraw/zinc/93/66/43/329936643.db2.gz CWQYTOSYWITODP-CQSZACIVSA-N 1 2 299.374 3.428 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc(F)c(F)c1 ZINC000274786688 330107394 /nfs/dbraw/zinc/10/73/94/330107394.db2.gz LSLIUILZASLPRI-INIZCTEOSA-N 1 2 293.313 3.457 20 30 CGEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)s2)nn1 ZINC000424119649 330247494 /nfs/dbraw/zinc/24/74/94/330247494.db2.gz CXRNYBDIPNOISX-VIFPVBQESA-N 1 2 282.800 3.030 20 30 CGEDLO C=C[C@@H](CC(=O)Nc1cc[nH+]cc1O)c1ccccc1 ZINC000089487277 330385544 /nfs/dbraw/zinc/38/55/44/330385544.db2.gz AGPWJMTVYGCYRN-LBPRGKRZSA-N 1 2 268.316 3.086 20 30 CGEDLO Cc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)c[nH+]1 ZINC000154253058 330655770 /nfs/dbraw/zinc/65/57/70/330655770.db2.gz YZOSQAWMBYMAHN-ZDUSSCGKSA-N 1 2 267.332 3.466 20 30 CGEDLO N#C[C@H]1[N@H+](CC23CCC(CC2)C3)CCC[C@@]12CCCCO2 ZINC000450874683 331004195 /nfs/dbraw/zinc/00/41/95/331004195.db2.gz DMRQDLJEUKSERC-FPQWYMTMSA-N 1 2 288.435 3.494 20 30 CGEDLO N#C[C@H]1[N@@H+](CC23CCC(CC2)C3)CCC[C@@]12CCCCO2 ZINC000450874683 331004196 /nfs/dbraw/zinc/00/41/96/331004196.db2.gz DMRQDLJEUKSERC-FPQWYMTMSA-N 1 2 288.435 3.494 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@H]2CCC(F)(F)C2)CCC[C@@]12CCCCO2 ZINC000450880920 331004512 /nfs/dbraw/zinc/00/45/12/331004512.db2.gz LLBFZWRORVXVMK-KKUMJFAQSA-N 1 2 298.377 3.349 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCC(F)(F)C2)CCC[C@@]12CCCCO2 ZINC000450880920 331004513 /nfs/dbraw/zinc/00/45/13/331004513.db2.gz LLBFZWRORVXVMK-KKUMJFAQSA-N 1 2 298.377 3.349 20 30 CGEDLO C=C[C@@H](CC(=O)N[C@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456372524 331191543 /nfs/dbraw/zinc/19/15/43/331191543.db2.gz ZIAAIILRLRZICL-CABCVRRESA-N 1 2 297.402 3.440 20 30 CGEDLO C=C(CC)CNC(=O)CCn1c2ccccc2[nH+]c1CCC ZINC000456810772 331204786 /nfs/dbraw/zinc/20/47/86/331204786.db2.gz HCRRJOMIEGYVFD-UHFFFAOYSA-N 1 2 299.418 3.461 20 30 CGEDLO CCOc1cc(C[NH+]2CCC(C#N)CC2)cc(Cl)c1O ZINC000459328393 331276332 /nfs/dbraw/zinc/27/63/32/331276332.db2.gz PTPSDSFRURNZCS-UHFFFAOYSA-N 1 2 294.782 3.180 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000489469048 332054639 /nfs/dbraw/zinc/05/46/39/332054639.db2.gz CPMPJFPAGSMAJV-MRXNPFEDSA-N 1 2 297.402 3.395 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000489469048 332054640 /nfs/dbraw/zinc/05/46/40/332054640.db2.gz CPMPJFPAGSMAJV-MRXNPFEDSA-N 1 2 297.402 3.395 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000491420376 332208497 /nfs/dbraw/zinc/20/84/97/332208497.db2.gz XNIVQQRPKUXKRH-HNNXBMFYSA-N 1 2 292.382 3.246 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000491420376 332208498 /nfs/dbraw/zinc/20/84/98/332208498.db2.gz XNIVQQRPKUXKRH-HNNXBMFYSA-N 1 2 292.382 3.246 20 30 CGEDLO C#C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(F)cc1 ZINC000491523534 332229087 /nfs/dbraw/zinc/22/90/87/332229087.db2.gz FRLWHHJCKXTSFI-HNNXBMFYSA-N 1 2 293.345 3.177 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(CC)c1)c1ccc(Cl)cc1F ZINC000491659241 332269925 /nfs/dbraw/zinc/26/99/25/332269925.db2.gz XAJXKYGMTSOXCY-HNNXBMFYSA-N 1 2 291.757 3.160 20 30 CGEDLO COc1cc2ccccc2cc1C[NH2+]C[C@@H](C)C#N ZINC000568956266 334848246 /nfs/dbraw/zinc/84/82/46/334848246.db2.gz JMTZSKDFSXLKLR-LBPRGKRZSA-N 1 2 254.333 3.098 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(C)(C)C ZINC000522012066 333230151 /nfs/dbraw/zinc/23/01/51/333230151.db2.gz XSNQQUGPDDSLQZ-ZDUSSCGKSA-N 1 2 287.407 3.204 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)OC(C)(C)C ZINC000523437592 333326683 /nfs/dbraw/zinc/32/66/83/333326683.db2.gz WKOLIZVKTKOQMB-LBPRGKRZSA-N 1 2 281.421 3.466 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)OC(C)(C)C ZINC000523437592 333326684 /nfs/dbraw/zinc/32/66/84/333326684.db2.gz WKOLIZVKTKOQMB-LBPRGKRZSA-N 1 2 281.421 3.466 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2cc(C)ccc2s1 ZINC000528518164 333443830 /nfs/dbraw/zinc/44/38/30/333443830.db2.gz GMAMGSUGJXZQES-NSHDSACASA-N 1 2 259.378 3.387 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)o2)sc1C ZINC000174415591 335154176 /nfs/dbraw/zinc/15/41/76/335154176.db2.gz XPOZVTLCMUAAPV-UHFFFAOYSA-N 1 2 275.377 3.250 20 30 CGEDLO COc1ccc[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000540661471 333741041 /nfs/dbraw/zinc/74/10/41/333741041.db2.gz KLTCHORSEUWOFX-UHFFFAOYSA-N 1 2 297.358 3.385 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000130411911 333841532 /nfs/dbraw/zinc/84/15/32/333841532.db2.gz WLHSRNONRBBGCX-QGZVFWFLSA-N 1 2 290.370 3.469 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000546209874 334019808 /nfs/dbraw/zinc/01/98/08/334019808.db2.gz LZQPZOHNWAXJSX-AWEZNQCLSA-N 1 2 299.418 3.460 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000546630373 334041996 /nfs/dbraw/zinc/04/19/96/334041996.db2.gz VEXSKVUDWOZECB-GDBMZVCRSA-N 1 2 297.402 3.228 20 30 CGEDLO CC#CC[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000550127755 334213858 /nfs/dbraw/zinc/21/38/58/334213858.db2.gz KNAXFAUVMTXJFR-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO CC#CC[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000550127755 334213860 /nfs/dbraw/zinc/21/38/60/334213860.db2.gz KNAXFAUVMTXJFR-UHFFFAOYSA-N 1 2 274.364 3.404 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000566863753 334667490 /nfs/dbraw/zinc/66/74/90/334667490.db2.gz IAMQWBDHAQIZRT-CYBMUJFWSA-N 1 2 296.292 3.219 20 30 CGEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000567708238 334754189 /nfs/dbraw/zinc/75/41/89/334754189.db2.gz KKBRJBXJJRLBMQ-SWLSCSKDSA-N 1 2 291.782 3.061 20 30 CGEDLO C=CCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC000568096042 334791686 /nfs/dbraw/zinc/79/16/86/334791686.db2.gz NSAVQAUNIYHBNZ-CQSZACIVSA-N 1 2 275.396 3.229 20 30 CGEDLO C=CC[C@H]1N(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC000568633775 334833987 /nfs/dbraw/zinc/83/39/87/334833987.db2.gz LZNBXDVTHSAMMR-HUUCEWRRSA-N 1 2 289.423 3.428 20 30 CGEDLO N#CCc1ccc(C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000343534130 335207460 /nfs/dbraw/zinc/20/74/60/335207460.db2.gz QNCJAPBXWKJGPY-UHFFFAOYSA-N 1 2 253.349 3.021 20 30 CGEDLO N#CCc1ccc(C[N@H+](CC#N)C2CCCC2)cc1 ZINC000343534130 335207462 /nfs/dbraw/zinc/20/74/62/335207462.db2.gz QNCJAPBXWKJGPY-UHFFFAOYSA-N 1 2 253.349 3.021 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180469891 335586900 /nfs/dbraw/zinc/58/69/00/335586900.db2.gz FUWMLUZICWGGGP-UHFFFAOYSA-N 1 2 277.327 3.198 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183828508 335908484 /nfs/dbraw/zinc/90/84/84/335908484.db2.gz HIEBAMIQAWGDCA-LLVKDONJSA-N 1 2 285.303 3.104 20 30 CGEDLO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1Cl ZINC000334654054 533799367 /nfs/dbraw/zinc/79/93/67/533799367.db2.gz HMTDCUZXZWSAEX-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO CSCc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425257864 533851590 /nfs/dbraw/zinc/85/15/90/533851590.db2.gz RLDYLEFQRHDTQZ-UHFFFAOYSA-N 1 2 283.400 3.159 20 30 CGEDLO Cc1nc(NCc2cn3ccccc3[nH+]2)c(Cl)cc1C#N ZINC000359833728 534493638 /nfs/dbraw/zinc/49/36/38/534493638.db2.gz AYOZMRRZVDVSNR-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO Cc1cn2cc(NC(=O)c3cnn(C(C)C)c3C)ccc2[nH+]1 ZINC000329124587 534516347 /nfs/dbraw/zinc/51/63/47/534516347.db2.gz SKNGZPDUIBZQBG-UHFFFAOYSA-N 1 2 297.362 3.365 20 30 CGEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCCC3(C)C)ccc2[nH+]1 ZINC000330245957 534516571 /nfs/dbraw/zinc/51/65/71/534516571.db2.gz KZVIJSIPVKIPQS-CYBMUJFWSA-N 1 2 286.379 3.357 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1F ZINC000156211479 523566426 /nfs/dbraw/zinc/56/64/26/523566426.db2.gz SLNSFIBFEJFZOV-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1F ZINC000156211479 523566435 /nfs/dbraw/zinc/56/64/35/523566435.db2.gz SLNSFIBFEJFZOV-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000155942089 526627674 /nfs/dbraw/zinc/62/76/74/526627674.db2.gz HPRASUDREZWAPL-UHFFFAOYSA-N 1 2 280.356 3.418 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](CC(=O)OCC)C(C)C)c1 ZINC000352230429 526897480 /nfs/dbraw/zinc/89/74/80/526897480.db2.gz KBRMFFCFFZEVRG-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CCOc1cccc(C[N@H+](CC(=O)OCC)C(C)C)c1 ZINC000352230429 526897484 /nfs/dbraw/zinc/89/74/84/526897484.db2.gz KBRMFFCFFZEVRG-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=C[C@H](C)NC(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000354778705 527556329 /nfs/dbraw/zinc/55/63/29/527556329.db2.gz GZPFHNKOCLFECK-ZDUSSCGKSA-N 1 2 285.391 3.070 20 30 CGEDLO CCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439460618 527786351 /nfs/dbraw/zinc/78/63/51/527786351.db2.gz XUPBQZDPESQVAH-CQSZACIVSA-N 1 2 278.783 3.213 20 30 CGEDLO CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000439460618 527786355 /nfs/dbraw/zinc/78/63/55/527786355.db2.gz XUPBQZDPESQVAH-CQSZACIVSA-N 1 2 278.783 3.213 20 30 CGEDLO CC(C)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000352102756 528092703 /nfs/dbraw/zinc/09/27/03/528092703.db2.gz RPWNMRKOURBARR-GFCCVEGCSA-N 1 2 275.352 3.310 20 30 CGEDLO CC(C)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000352102756 528092708 /nfs/dbraw/zinc/09/27/08/528092708.db2.gz RPWNMRKOURBARR-GFCCVEGCSA-N 1 2 275.352 3.310 20 30 CGEDLO CCC(CC)[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425250079 528837282 /nfs/dbraw/zinc/83/72/82/528837282.db2.gz VIWFAXOCOXWXMI-WBVHZDCISA-N 1 2 287.407 3.079 20 30 CGEDLO C=CC[N@@H+](Cn1c2c(sc1=O)C[C@H](CC)CC2)C(C)C ZINC000728045457 571785280 /nfs/dbraw/zinc/78/52/80/571785280.db2.gz SVGLLPHGJJRYCI-CYBMUJFWSA-N 1 2 294.464 3.279 20 30 CGEDLO C=CC[N@H+](Cn1c2c(sc1=O)C[C@H](CC)CC2)C(C)C ZINC000728045457 571785283 /nfs/dbraw/zinc/78/52/83/571785283.db2.gz SVGLLPHGJJRYCI-CYBMUJFWSA-N 1 2 294.464 3.279 20 30 CGEDLO COc1ccc(C[C@H](C)/[NH+]=C\c2ccccc2O)cc1OC ZINC000730147152 571950915 /nfs/dbraw/zinc/95/09/15/571950915.db2.gz LCFOLVSYRDLEMJ-QXGSTRBFSA-N 1 2 299.370 3.460 20 30 CGEDLO Cc1cccc2c1OC/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000740765377 572456663 /nfs/dbraw/zinc/45/66/63/572456663.db2.gz YDEOLLLMBAQDJF-UKTHLTGXSA-N 1 2 290.322 3.301 20 30 CGEDLO COc1cc(CC/[NH+]=C/c2ccccc2O)ccc1C ZINC000741166035 572487262 /nfs/dbraw/zinc/48/72/62/572487262.db2.gz VFKXMYFXAKMNIA-LDADJPATSA-N 1 2 269.344 3.371 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OCCCC ZINC000741782044 572526891 /nfs/dbraw/zinc/52/68/91/572526891.db2.gz WOUSBJHQXMJOSR-HNNXBMFYSA-N 1 2 275.392 3.406 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OCCCC ZINC000741782044 572526895 /nfs/dbraw/zinc/52/68/95/572526895.db2.gz WOUSBJHQXMJOSR-HNNXBMFYSA-N 1 2 275.392 3.406 20 30 CGEDLO C#CCOc1cc(F)ccc1NCc1cn2ccccc2[nH+]1 ZINC000742375538 572570492 /nfs/dbraw/zinc/57/04/92/572570492.db2.gz DVAIUENHRQCREW-UHFFFAOYSA-N 1 2 295.317 3.098 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H]2CC[C@@H](SC)C2)c(O)c1 ZINC000743043544 572635853 /nfs/dbraw/zinc/63/58/53/572635853.db2.gz WNZIBZWYGBKRGA-AKCQFSKZSA-N 1 2 279.405 3.494 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H]2CC[C@@H](SC)C2)c(O)c1 ZINC000743043546 572636025 /nfs/dbraw/zinc/63/60/25/572636025.db2.gz WNZIBZWYGBKRGA-QWMFHAOCSA-N 1 2 279.405 3.494 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@H](CCC)CC1=O ZINC000743350326 572650205 /nfs/dbraw/zinc/65/02/05/572650205.db2.gz ZGLJURJXCBANOT-QGZVFWFLSA-N 1 2 286.419 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@H](CCC)CC1=O ZINC000743350326 572650208 /nfs/dbraw/zinc/65/02/08/572650208.db2.gz ZGLJURJXCBANOT-QGZVFWFLSA-N 1 2 286.419 3.281 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]/CC1Cc2ccccc2C1 ZINC000735228856 572706812 /nfs/dbraw/zinc/70/68/12/572706812.db2.gz JHIDAQGPMVWQPR-XDHOZWIPSA-N 1 2 281.355 3.235 20 30 CGEDLO COc1cccc(/C=[NH+]\CC2Cc3ccccc3C2)c1O ZINC000735228671 572707329 /nfs/dbraw/zinc/70/73/29/572707329.db2.gz DWVAANKOSYZDPI-UNOMPAQXSA-N 1 2 281.355 3.235 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H](CC)C2CCOCC2)c(O)c1 ZINC000746393886 572869232 /nfs/dbraw/zinc/86/92/32/572869232.db2.gz LYPIEDMBNKKBHW-IQFISFIMSA-N 1 2 291.391 3.415 20 30 CGEDLO COc1ccc(CNc2cc[nH+]c(C(C)C)n2)cc1C#N ZINC000746711772 572893309 /nfs/dbraw/zinc/89/33/09/572893309.db2.gz WSTXXFJPZHYXPU-UHFFFAOYSA-N 1 2 282.347 3.092 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4c(cccc4O)C3=O)n21 ZINC000748999682 572987882 /nfs/dbraw/zinc/98/78/82/572987882.db2.gz SHJYOMVWZRNPIW-XYOKQWHBSA-N 1 2 290.322 3.171 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC000950663113 613294577 /nfs/dbraw/zinc/29/45/77/613294577.db2.gz PNOKTJZZZQIIQZ-DOTOQJQBSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC000957343572 613296422 /nfs/dbraw/zinc/29/64/22/613296422.db2.gz RNGNCDPNGHIZBR-UHFFFAOYSA-N 1 2 286.419 3.026 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000951567816 613315416 /nfs/dbraw/zinc/31/54/16/613315416.db2.gz ADNPAIKTSFMAPM-UHFFFAOYSA-N 1 2 292.467 3.313 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccco1 ZINC000968715721 613373181 /nfs/dbraw/zinc/37/31/81/613373181.db2.gz DANZPVYFMUCTLN-ZDUSSCGKSA-N 1 2 296.798 3.007 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccco1 ZINC000968715721 613373182 /nfs/dbraw/zinc/37/31/82/613373182.db2.gz DANZPVYFMUCTLN-ZDUSSCGKSA-N 1 2 296.798 3.007 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981100035 613373397 /nfs/dbraw/zinc/37/33/97/613373397.db2.gz XSWRKJUBOUTSOJ-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981100035 613373398 /nfs/dbraw/zinc/37/33/98/613373398.db2.gz XSWRKJUBOUTSOJ-UHFFFAOYSA-N 1 2 298.858 3.244 20 30 CGEDLO C=CC[C@H]1CCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000890553281 617638916 /nfs/dbraw/zinc/63/89/16/617638916.db2.gz SHNCAJUHIYTQNX-JKSUJKDBSA-N 1 2 295.386 3.109 20 30 CGEDLO CCn1cnc2c1CC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000933255964 618177047 /nfs/dbraw/zinc/17/70/47/618177047.db2.gz SXZXEJALFMMXAO-UHFFFAOYSA-N 1 2 286.423 3.125 20 30 CGEDLO CCn1cnc2c1CC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000933255964 618177050 /nfs/dbraw/zinc/17/70/50/618177050.db2.gz SXZXEJALFMMXAO-UHFFFAOYSA-N 1 2 286.423 3.125 20 30 CGEDLO C=CC1(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000933298288 618194332 /nfs/dbraw/zinc/19/43/32/618194332.db2.gz GBBPEXYWIWKJFX-HNNXBMFYSA-N 1 2 289.423 3.162 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3ccc(F)cc3C2)cs1 ZINC000892035565 618498999 /nfs/dbraw/zinc/49/89/99/618498999.db2.gz CQIOTEIGDYAMGU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)cs1 ZINC000892035565 618499000 /nfs/dbraw/zinc/49/90/00/618499000.db2.gz CQIOTEIGDYAMGU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000934466654 618626195 /nfs/dbraw/zinc/62/61/95/618626195.db2.gz UWGMSSBVRVHRHX-ZYHUDNBSSA-N 1 2 252.383 3.001 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1csc([C@@H](C)OC)n1 ZINC000934466654 618626197 /nfs/dbraw/zinc/62/61/97/618626197.db2.gz UWGMSSBVRVHRHX-ZYHUDNBSSA-N 1 2 252.383 3.001 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934509363 618636104 /nfs/dbraw/zinc/63/61/04/618636104.db2.gz BTEOIQSJQBGYDH-KRWDZBQOSA-N 1 2 298.430 3.238 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934509363 618636108 /nfs/dbraw/zinc/63/61/08/618636108.db2.gz BTEOIQSJQBGYDH-KRWDZBQOSA-N 1 2 298.430 3.238 20 30 CGEDLO CSCC1(CC/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000849170567 618683437 /nfs/dbraw/zinc/68/34/37/618683437.db2.gz QUFOECLWZVGRPD-DHDCSXOGSA-N 1 2 265.378 3.050 20 30 CGEDLO O=C1c2cc(F)ccc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000255721778 618782369 /nfs/dbraw/zinc/78/23/69/618782369.db2.gz XKEIQJULMSHUHI-XFXZXTDPSA-N 1 2 278.286 3.296 20 30 CGEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178143147 618859234 /nfs/dbraw/zinc/85/92/34/618859234.db2.gz FMLRNMFQWAVLNT-GFCCVEGCSA-N 1 2 299.330 3.187 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000893525309 619203978 /nfs/dbraw/zinc/20/39/78/619203978.db2.gz BRJOAKDHWHOPQJ-QGZVFWFLSA-N 1 2 269.392 3.086 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000893525309 619203981 /nfs/dbraw/zinc/20/39/81/619203981.db2.gz BRJOAKDHWHOPQJ-QGZVFWFLSA-N 1 2 269.392 3.086 20 30 CGEDLO C[C@H]1Cc2cc(C[N@@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000893528667 619205485 /nfs/dbraw/zinc/20/54/85/619205485.db2.gz ZIWNSLUZYJMVRR-GUYCJALGSA-N 1 2 270.376 3.136 20 30 CGEDLO C[C@H]1Cc2cc(C[N@H+]3CCC[C@@](C)(C#N)C3)ccc2O1 ZINC000893528667 619205486 /nfs/dbraw/zinc/20/54/86/619205486.db2.gz ZIWNSLUZYJMVRR-GUYCJALGSA-N 1 2 270.376 3.136 20 30 CGEDLO C[N@H+](Cc1cc(O)cc(Cl)c1)CC(C)(C)C#N ZINC000894610756 619588750 /nfs/dbraw/zinc/58/87/50/619588750.db2.gz PNVOUYZSXDXJHT-UHFFFAOYSA-N 1 2 252.745 3.027 20 30 CGEDLO C[N@@H+](Cc1cc(O)cc(Cl)c1)CC(C)(C)C#N ZINC000894610756 619588757 /nfs/dbraw/zinc/58/87/57/619588757.db2.gz PNVOUYZSXDXJHT-UHFFFAOYSA-N 1 2 252.745 3.027 20 30 CGEDLO C#CCCCCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185325271 619739415 /nfs/dbraw/zinc/73/94/15/619739415.db2.gz JRCQWSLDSVIQSS-UHFFFAOYSA-N 1 2 282.343 3.223 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000897072047 620135332 /nfs/dbraw/zinc/13/53/32/620135332.db2.gz BGVBLZNRYMCWAV-AWEZNQCLSA-N 1 2 298.777 3.169 20 30 CGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000073012184 625407382 /nfs/dbraw/zinc/40/73/82/625407382.db2.gz ANYSOFPFJADTCJ-AWEZNQCLSA-N 1 2 287.388 3.114 20 30 CGEDLO COc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)ccc1O ZINC000901431963 620886464 /nfs/dbraw/zinc/88/64/64/620886464.db2.gz ZSWCFNFZYMYOLO-FNORWQNLSA-N 1 2 286.331 3.074 20 30 CGEDLO Cc1[nH]c(/C=C2/COc3ccc(C)c(C)c3C2=O)[nH+]c1C ZINC000901477442 620891920 /nfs/dbraw/zinc/89/19/20/620891920.db2.gz IRPLUZMPHIOHSV-QPEQYQDCSA-N 1 2 282.343 3.302 20 30 CGEDLO Cc1ccc(O)c(C(=O)/C=C\c2c[nH+]cn2C(C)C)c1 ZINC000901482913 620893023 /nfs/dbraw/zinc/89/30/23/620893023.db2.gz MWWUBGKXFIGCBA-ALCCZGGFSA-N 1 2 270.332 3.374 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2ccc([N+](=O)[O-])cc2C1=O ZINC000901498707 620901867 /nfs/dbraw/zinc/90/18/67/620901867.db2.gz JBOMVZXZOOVVGN-GHXNOFRVSA-N 1 2 297.314 3.024 20 30 CGEDLO Cc1[nH]c(/C=C2\CCc3ccc([N+](=O)[O-])cc3C2=O)[nH+]c1C ZINC000901500270 620903266 /nfs/dbraw/zinc/90/32/66/620903266.db2.gz PVHLFSOEMZWMGN-KPKJPENVSA-N 1 2 297.314 3.147 20 30 CGEDLO C[C@@H]1C/C(=C\c2c[nH+]cn2C)C(=O)c2sccc21 ZINC000901520820 620912553 /nfs/dbraw/zinc/91/25/53/620912553.db2.gz ZCPRFRJFTXLTLR-ZFZMKPAXSA-N 1 2 258.346 3.255 20 30 CGEDLO CSc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]cn1C)CC2 ZINC000901526597 620913620 /nfs/dbraw/zinc/91/36/20/620913620.db2.gz YJDOAPKIHNQBMO-GHXNOFRVSA-N 1 2 284.384 3.355 20 30 CGEDLO CSc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C)CC2 ZINC000901526599 620914036 /nfs/dbraw/zinc/91/40/36/620914036.db2.gz YJDOAPKIHNQBMO-KPKJPENVSA-N 1 2 284.384 3.355 20 30 CGEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1nc2c(s1)CCCC2 ZINC000903100657 621572856 /nfs/dbraw/zinc/57/28/56/621572856.db2.gz VFFATXPOUFPESV-JTQLQIEISA-N 1 2 263.410 3.222 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1sccc1Br ZINC000903101719 621574894 /nfs/dbraw/zinc/57/48/94/621574894.db2.gz LDRUPSADOULLBU-QMMMGPOBSA-N 1 2 285.210 3.465 20 30 CGEDLO Cc1cc(C)c(C(=O)N2Cc3cccc(C#N)c3C2)c(C)[nH+]1 ZINC000911923654 622563885 /nfs/dbraw/zinc/56/38/85/622563885.db2.gz SUWAMCPGHJHZMG-UHFFFAOYSA-N 1 2 291.354 3.035 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000755988647 625667645 /nfs/dbraw/zinc/66/76/45/625667645.db2.gz AYBCNNYDZJVHIM-CJNGLKHVSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000755988647 625667647 /nfs/dbraw/zinc/66/76/47/625667647.db2.gz AYBCNNYDZJVHIM-CJNGLKHVSA-N 1 2 291.366 3.298 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993343427 624032942 /nfs/dbraw/zinc/03/29/42/624032942.db2.gz KDWSTJREJYHLKH-DZGCQCFKSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993343427 624032943 /nfs/dbraw/zinc/03/29/43/624032943.db2.gz KDWSTJREJYHLKH-DZGCQCFKSA-N 1 2 296.842 3.208 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993698260 624058375 /nfs/dbraw/zinc/05/83/75/624058375.db2.gz ZLASAHGYJULHDZ-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993698260 624058383 /nfs/dbraw/zinc/05/83/83/624058383.db2.gz ZLASAHGYJULHDZ-JSGCOSHPSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Br)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070733600 625031419 /nfs/dbraw/zinc/03/14/19/625031419.db2.gz WBQQJKFJMAWDML-MRVPVSSYSA-N 1 2 261.188 3.011 20 30 CGEDLO CCC(F)(F)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922288745 625993616 /nfs/dbraw/zinc/99/36/16/625993616.db2.gz RMWRITHROGEFKW-UHFFFAOYSA-N 1 2 252.308 3.310 20 30 CGEDLO Cc1ccnc(N[NH+]=Cc2c(C)cc(N)cc2C)c1 ZINC000752733717 626436278 /nfs/dbraw/zinc/43/62/78/626436278.db2.gz ZIGCXZZKMMMJGK-UHFFFAOYSA-N 1 2 254.337 3.035 20 30 CGEDLO C=CCCCCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835450015 634507725 /nfs/dbraw/zinc/50/77/25/634507725.db2.gz PEHUDAFSVQXNIN-UHFFFAOYSA-N 1 2 284.359 3.445 20 30 CGEDLO C=CCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000754779190 626586967 /nfs/dbraw/zinc/58/69/67/626586967.db2.gz PWXCCASSKNIIRD-UHFFFAOYSA-N 1 2 282.343 3.089 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccoc1 ZINC000755892989 626657169 /nfs/dbraw/zinc/65/71/69/626657169.db2.gz FPWOYAZOSKPNMM-UHFFFAOYSA-N 1 2 251.289 3.086 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC000757087022 626753562 /nfs/dbraw/zinc/75/35/62/626753562.db2.gz DAUPJLUTIOPFKG-UHFFFAOYSA-N 1 2 296.418 3.303 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC000757087022 626753564 /nfs/dbraw/zinc/75/35/64/626753564.db2.gz DAUPJLUTIOPFKG-UHFFFAOYSA-N 1 2 296.418 3.303 20 30 CGEDLO O=C1c2cc(Cl)ccc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000761205188 627025685 /nfs/dbraw/zinc/02/56/85/627025685.db2.gz HHRVQJXGRVSBHH-YFHOEESVSA-N 1 2 258.708 3.276 20 30 CGEDLO CC(=[NH+]Nc1cnn(C)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000761870583 627069965 /nfs/dbraw/zinc/06/99/65/627069965.db2.gz RIJFXULWEHRBQX-UHFFFAOYSA-N 1 2 298.177 3.145 20 30 CGEDLO Cc1cccc(C)c1CC/[NH+]=C/c1cccc(O)c1O ZINC000764414499 627206624 /nfs/dbraw/zinc/20/66/24/627206624.db2.gz TULBCWBERSIBEW-WOJGMQOQSA-N 1 2 269.344 3.376 20 30 CGEDLO CC(=NOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764847313 627229667 /nfs/dbraw/zinc/22/96/67/627229667.db2.gz ZKISQCQKRZHQAO-UHFFFAOYSA-N 1 2 283.253 3.175 20 30 CGEDLO CC(=NNc1cc[nH+]cc1)c1cc(Cl)c(Cl)cc1O ZINC000766029380 627288792 /nfs/dbraw/zinc/28/87/92/627288792.db2.gz KYJVXALQDIZCJP-UHFFFAOYSA-N 1 2 296.157 3.352 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc2c1OCO2 ZINC000769146280 627525745 /nfs/dbraw/zinc/52/57/45/627525745.db2.gz QWAWPORKPUCWDL-UHFFFAOYSA-N 1 2 297.329 3.190 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc2c1OCO2 ZINC000769146280 627525748 /nfs/dbraw/zinc/52/57/48/627525748.db2.gz QWAWPORKPUCWDL-UHFFFAOYSA-N 1 2 297.329 3.190 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000770568803 627626640 /nfs/dbraw/zinc/62/66/40/627626640.db2.gz OAYHGWDHENXNAV-MDDWGPDPSA-N 1 2 277.364 3.025 20 30 CGEDLO C(#Cc1ccccc1)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000773397762 627880062 /nfs/dbraw/zinc/88/00/62/627880062.db2.gz RIXLWHCCFDSLTI-UHFFFAOYSA-N 1 2 287.366 3.014 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000775787882 628136451 /nfs/dbraw/zinc/13/64/51/628136451.db2.gz BALLPITUUIXTSM-KGLIPLIRSA-N 1 2 284.186 3.264 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(C2CCCC2)n1)[C@H]1CCCO1 ZINC000775794508 628137659 /nfs/dbraw/zinc/13/76/59/628137659.db2.gz QYTLILPMLQPRHN-HUUCEWRRSA-N 1 2 290.432 3.071 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779095857 628388535 /nfs/dbraw/zinc/38/85/35/628388535.db2.gz MYAHJRCFGISLSL-CQSZACIVSA-N 1 2 277.412 3.065 20 30 CGEDLO CCCCCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779095856 628388845 /nfs/dbraw/zinc/38/88/45/628388845.db2.gz MYAHJRCFGISLSL-AWEZNQCLSA-N 1 2 277.412 3.065 20 30 CGEDLO CC1(C#N)CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000779879782 628439972 /nfs/dbraw/zinc/43/99/72/628439972.db2.gz OSGFEZOECWNLGE-UHFFFAOYSA-N 1 2 288.782 3.273 20 30 CGEDLO CCCC[C@H](CC)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000783567737 628726390 /nfs/dbraw/zinc/72/63/90/628726390.db2.gz WPMJGLDXUKPGHG-DOTOQJQBSA-N 1 2 277.456 3.265 20 30 CGEDLO CCCC[C@H](CC)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000783567737 628726398 /nfs/dbraw/zinc/72/63/98/628726398.db2.gz WPMJGLDXUKPGHG-DOTOQJQBSA-N 1 2 277.456 3.265 20 30 CGEDLO CCCCOc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790301060 629201772 /nfs/dbraw/zinc/20/17/72/629201772.db2.gz AYFTXCSOMJSFRA-UHFFFAOYSA-N 1 2 272.352 3.045 20 30 CGEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2cccs2)cc1F ZINC000790501064 629214410 /nfs/dbraw/zinc/21/44/10/629214410.db2.gz FKCAPYIVQYGYCL-UHFFFAOYSA-N 1 2 289.335 3.000 20 30 CGEDLO CCCCCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000875765602 634731295 /nfs/dbraw/zinc/73/12/95/634731295.db2.gz SWTZWQPAMVQACA-OAHLLOKOSA-N 1 2 292.427 3.200 20 30 CGEDLO Cc1cccc2c1C/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708745 629569944 /nfs/dbraw/zinc/56/99/44/629569944.db2.gz UHZQKMDGNVANCZ-XYOKQWHBSA-N 1 2 298.411 3.336 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)oc1C ZINC000794715971 629570836 /nfs/dbraw/zinc/57/08/36/629570836.db2.gz ZWXFRNMZQNAYQZ-AATRIKPKSA-N 1 2 290.388 3.311 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC[C@@H]2CCCOC2)c(O)c1 ZINC000864345234 629814838 /nfs/dbraw/zinc/81/48/38/629814838.db2.gz RGGMXEQKXVLOGF-HNEYUBDGSA-N 1 2 277.364 3.027 20 30 CGEDLO C#CCCNc1cc[nH+]c2c(OCCC)cccc12 ZINC000798394682 630052755 /nfs/dbraw/zinc/05/27/55/630052755.db2.gz YQRXETLGUHKWOC-UHFFFAOYSA-N 1 2 254.333 3.459 20 30 CGEDLO C[C@H](C(=O)OCC#CC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000798888812 630112020 /nfs/dbraw/zinc/11/20/20/630112020.db2.gz UIZPMWYJWQFJEY-OAHLLOKOSA-N 1 2 299.414 3.026 20 30 CGEDLO C[C@H](C(=O)OCC#CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000798888812 630112022 /nfs/dbraw/zinc/11/20/22/630112022.db2.gz UIZPMWYJWQFJEY-OAHLLOKOSA-N 1 2 299.414 3.026 20 30 CGEDLO Oc1cccc(/C=[NH+]/CCc2cccc3[nH]ccc32)c1O ZINC000800720257 630295676 /nfs/dbraw/zinc/29/56/76/630295676.db2.gz BFTXWGJVOUNAJA-WOJGMQOQSA-N 1 2 280.327 3.241 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCCSCC)c(O)c1 ZINC000800722187 630296214 /nfs/dbraw/zinc/29/62/14/630296214.db2.gz YUBXGGYGQGUOTR-PTNGSMBKSA-N 1 2 267.394 3.353 20 30 CGEDLO CCCCNc1[nH+]c2ccccc2n1CCO[C@H](C)C#N ZINC000802726748 630405774 /nfs/dbraw/zinc/40/57/74/630405774.db2.gz OZQHNIIOBDOQKX-CYBMUJFWSA-N 1 2 286.379 3.177 20 30 CGEDLO C=CC[C@H](CO)C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806149976 630549309 /nfs/dbraw/zinc/54/93/09/630549309.db2.gz JEMCJRFNDBRYPT-SMDDNHRTSA-N 1 2 283.799 3.271 20 30 CGEDLO C#Cc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000809633670 630769316 /nfs/dbraw/zinc/76/93/16/630769316.db2.gz RJYKFGDCYWSFHN-INIZCTEOSA-N 1 2 295.386 3.415 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000811590231 631088738 /nfs/dbraw/zinc/08/87/38/631088738.db2.gz UUDQDHDEQMWROS-HNNXBMFYSA-N 1 2 289.423 3.088 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811731912 631115017 /nfs/dbraw/zinc/11/50/17/631115017.db2.gz KWPLMANTPQRICC-KRWDZBQOSA-N 1 2 298.430 3.279 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811731912 631115021 /nfs/dbraw/zinc/11/50/21/631115021.db2.gz KWPLMANTPQRICC-KRWDZBQOSA-N 1 2 298.430 3.279 20 30 CGEDLO C=Cc1ccc(CC/[NH+]=C/c2cccc(O)c2O)cc1 ZINC000812445408 631261375 /nfs/dbraw/zinc/26/13/75/631261375.db2.gz XNGMGSDCJJNGDN-LDADJPATSA-N 1 2 267.328 3.402 20 30 CGEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccco1 ZINC000814841315 631652534 /nfs/dbraw/zinc/65/25/34/631652534.db2.gz LPIDKGSTMHQLPE-UHFFFAOYSA-N 1 2 265.316 3.476 20 30 CGEDLO CC#CC[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000815289553 631755062 /nfs/dbraw/zinc/75/50/62/631755062.db2.gz ZSDJWOCFNRVSIT-UHFFFAOYSA-N 1 2 276.689 3.209 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000815289553 631755064 /nfs/dbraw/zinc/75/50/64/631755064.db2.gz ZSDJWOCFNRVSIT-UHFFFAOYSA-N 1 2 276.689 3.209 20 30 CGEDLO CCOc1ccc(/C=N/Cc2cc(C)[nH+]c(C)c2)c(O)c1 ZINC000817707881 632201961 /nfs/dbraw/zinc/20/19/61/632201961.db2.gz PMLYNOQRBGQDOU-WOJGMQOQSA-N 1 2 284.359 3.422 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@H]2CC23CCSCC3)c1O ZINC000817707386 632202018 /nfs/dbraw/zinc/20/20/18/632202018.db2.gz JJHAJOQTEPOJLQ-VGSSETLESA-N 1 2 291.416 3.353 20 30 CGEDLO C=CCC1(NC(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000821201927 632737780 /nfs/dbraw/zinc/73/77/80/632737780.db2.gz ORMAZQDMSACBKV-UHFFFAOYSA-N 1 2 284.363 3.345 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)cc(F)c1F ZINC000844324681 635869459 /nfs/dbraw/zinc/86/94/59/635869459.db2.gz OSVSDSSPSOHRGH-QMMMGPOBSA-N 1 2 288.135 3.181 20 30 CGEDLO Cc1noc(C)c1CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866280699 633064047 /nfs/dbraw/zinc/06/40/47/633064047.db2.gz YGKFHGHCNRZZJA-LLVKDONJSA-N 1 2 299.374 3.152 20 30 CGEDLO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c(C)c1 ZINC000866304865 633073787 /nfs/dbraw/zinc/07/37/87/633073787.db2.gz AKNNMAGTOZSLFA-ZDUSSCGKSA-N 1 2 296.370 3.432 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)C#CC(C)C)c2)[nH+]c1C ZINC000823353976 633092492 /nfs/dbraw/zinc/09/24/92/633092492.db2.gz WGTHGHNJTBWZEY-UHFFFAOYSA-N 1 2 281.359 3.291 20 30 CGEDLO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1cccc(C#N)c1O ZINC000866367571 633104862 /nfs/dbraw/zinc/10/48/62/633104862.db2.gz KWQRIBWLWPYJBY-TVQRCGJNSA-N 1 2 299.201 3.498 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(C#N)c1O ZINC000866374274 633109581 /nfs/dbraw/zinc/10/95/81/633109581.db2.gz BGKLOLSFHSLHOP-LERXQTSPSA-N 1 2 262.328 3.195 20 30 CGEDLO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)CC(F)F ZINC000866380398 633113183 /nfs/dbraw/zinc/11/31/83/633113183.db2.gz DFADPYCWMRUCQR-NXEZZACHSA-N 1 2 268.307 3.206 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(Cl)c(C)cc1O ZINC000825959976 633392784 /nfs/dbraw/zinc/39/27/84/633392784.db2.gz URKJSOGREOHTKZ-UHFFFAOYSA-N 1 2 264.756 3.256 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(Cl)c(C)cc1O ZINC000825959976 633392792 /nfs/dbraw/zinc/39/27/92/633392792.db2.gz URKJSOGREOHTKZ-UHFFFAOYSA-N 1 2 264.756 3.256 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000829788559 633784170 /nfs/dbraw/zinc/78/41/70/633784170.db2.gz AKUVQXOVSUIHBJ-CHWSQXEVSA-N 1 2 293.436 3.119 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000829788559 633784175 /nfs/dbraw/zinc/78/41/75/633784175.db2.gz AKUVQXOVSUIHBJ-CHWSQXEVSA-N 1 2 293.436 3.119 20 30 CGEDLO CN(C)c1cc(CSCc2ccc(C#N)o2)cc[nH+]1 ZINC000871701542 633834444 /nfs/dbraw/zinc/83/44/44/633834444.db2.gz IVFZNHKXWIZDPI-UHFFFAOYSA-N 1 2 273.361 3.046 20 30 CGEDLO C#CC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000830345667 633853800 /nfs/dbraw/zinc/85/38/00/633853800.db2.gz MNOPGRALNCFAQW-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO COCc1cc[nH+]c(N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000846211839 636159370 /nfs/dbraw/zinc/15/93/70/636159370.db2.gz HKCMDWHESOMRQK-CYBMUJFWSA-N 1 2 297.358 3.303 20 30 CGEDLO C=C(Br)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000124168058 634181111 /nfs/dbraw/zinc/18/11/11/634181111.db2.gz DVKMOSLURWIECS-UHFFFAOYSA-N 1 2 276.218 3.175 20 30 CGEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2coc(CC)n2)cc1 ZINC000834898986 634275127 /nfs/dbraw/zinc/27/51/27/634275127.db2.gz DINOSMZGZGGJDC-CYBMUJFWSA-N 1 2 284.359 3.100 20 30 CGEDLO COc1cnc(F)c(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000877116536 634989532 /nfs/dbraw/zinc/98/95/32/634989532.db2.gz PROMLONMVOBQLV-MRXNPFEDSA-N 1 2 299.349 3.364 20 30 CGEDLO Cc1ccc2c(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)cc(=O)oc2c1 ZINC000879310026 635751689 /nfs/dbraw/zinc/75/16/89/635751689.db2.gz KFLWXSIWMJGOAW-CZUORRHYSA-N 1 2 296.370 3.226 20 30 CGEDLO Cc1ccc2c(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)cc(=O)oc2c1 ZINC000879310026 635751697 /nfs/dbraw/zinc/75/16/97/635751697.db2.gz KFLWXSIWMJGOAW-CZUORRHYSA-N 1 2 296.370 3.226 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(Br)cc(F)c1F ZINC000844324681 635869456 /nfs/dbraw/zinc/86/94/56/635869456.db2.gz OSVSDSSPSOHRGH-QMMMGPOBSA-N 1 2 288.135 3.181 20 30 CGEDLO C=CCc1ccccc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845440280 636036123 /nfs/dbraw/zinc/03/61/23/636036123.db2.gz QCLXHZLSVIGOEV-CYBMUJFWSA-N 1 2 270.332 3.168 20 30 CGEDLO C=CCC[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000845492430 636039929 /nfs/dbraw/zinc/03/99/29/636039929.db2.gz FVVJKODUQWUDLP-HNNXBMFYSA-N 1 2 288.391 3.050 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882871072 636440650 /nfs/dbraw/zinc/44/06/50/636440650.db2.gz XVGLJQIKQXFZAP-MRXNPFEDSA-N 1 2 297.402 3.343 20 30 CGEDLO C[C@]1(c2ccccc2)CCC(N=NCCCn2cc[nH+]c2)C1 ZINC000848417117 636571191 /nfs/dbraw/zinc/57/11/91/636571191.db2.gz LGSFPYXBBKUURG-SFHVURJKSA-N 1 2 296.418 3.361 20 30 CGEDLO CC(C)C1CCC(C=NNCCCn2cc[nH+]c2)CC1 ZINC000848416929 636571836 /nfs/dbraw/zinc/57/18/36/636571836.db2.gz DHUXEXHSWNJNFU-UHFFFAOYSA-N 1 2 276.428 3.311 20 30 CGEDLO Cc1cccc2c1[C@H](C)CC2=NNCCCn1cc[nH+]c1 ZINC000848418332 636572655 /nfs/dbraw/zinc/57/26/55/636572655.db2.gz LYTKLGQEMRTKQU-CQSZACIVSA-N 1 2 282.391 3.083 20 30 CGEDLO CCCCCCC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000848924527 636697632 /nfs/dbraw/zinc/69/76/32/636697632.db2.gz UTJIYDQIHPQTKL-ZIAGYGMSSA-N 1 2 294.443 3.495 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCC2CC(OC)C2)c1 ZINC000849170411 636762514 /nfs/dbraw/zinc/76/25/14/636762514.db2.gz MDANWWPDZGHIRR-BOPFTXTBSA-N 1 2 277.364 3.025 20 30 CGEDLO COc1cccc(/C=[NH+]/CCCOC(C)(C)C)c1O ZINC000849172455 636765431 /nfs/dbraw/zinc/76/54/31/636765431.db2.gz SIWXNTSGESWITF-LFIBNONCSA-N 1 2 265.353 3.025 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCCOC(C)(C)C)c1O ZINC000849172664 636765679 /nfs/dbraw/zinc/76/56/79/636765679.db2.gz XEQHRVSZRZSMFP-ATVHPVEESA-N 1 2 279.380 3.415 20 30 CGEDLO N#CC1(CC(=O)OCc2cccc3[nH+]ccn32)CCCCC1 ZINC000850899289 637180887 /nfs/dbraw/zinc/18/08/87/637180887.db2.gz IUIZOFDYFTWSEN-UHFFFAOYSA-N 1 2 297.358 3.242 20 30 CGEDLO C#CCC[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000852126940 637602174 /nfs/dbraw/zinc/60/21/74/637602174.db2.gz KCMGHHHFQGWMMC-SNVBAGLBSA-N 1 2 261.756 3.232 20 30 CGEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)nc2ccccc12 ZINC000852318803 637632671 /nfs/dbraw/zinc/63/26/71/637632671.db2.gz BXFPBJDXCLHVJJ-CQSZACIVSA-N 1 2 280.375 3.064 20 30 CGEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)nc2ccccc12 ZINC000852318803 637632673 /nfs/dbraw/zinc/63/26/73/637632673.db2.gz BXFPBJDXCLHVJJ-CQSZACIVSA-N 1 2 280.375 3.064 20 30 CGEDLO C[C@H](C#N)OCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852406575 637647333 /nfs/dbraw/zinc/64/73/33/637647333.db2.gz QDCWYEARIZKILO-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO C[C@H](C#N)OCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000852406575 637647338 /nfs/dbraw/zinc/64/73/38/637647338.db2.gz QDCWYEARIZKILO-SNVBAGLBSA-N 1 2 299.201 3.280 20 30 CGEDLO COc1cccc(/C=[NH+]/CC[C@H]2CC(C)(C)CO2)c1O ZINC000887270774 637787920 /nfs/dbraw/zinc/78/79/20/637787920.db2.gz TWCXBYHCHKOQBR-VZWMTCDZSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CCCCCNc1[nH+]cccc1OCCCC#C ZINC000853445519 637846005 /nfs/dbraw/zinc/84/60/05/637846005.db2.gz SVHCUQXPLIRJRA-UHFFFAOYSA-N 1 2 256.349 3.089 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@](C)(OC)C1CC1 ZINC000853638881 637877998 /nfs/dbraw/zinc/87/79/98/637877998.db2.gz CXYHHUXFWQPZOU-KRWDZBQOSA-N 1 2 288.391 3.101 20 30 CGEDLO CC(C)c1ccc(C=NOCc2ccc[nH+]c2N)cc1 ZINC000853644127 637879804 /nfs/dbraw/zinc/87/98/04/637879804.db2.gz DDPAPOYKKDEURP-UHFFFAOYSA-N 1 2 269.348 3.338 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)c1ccccn1 ZINC000853750706 637908607 /nfs/dbraw/zinc/90/86/07/637908607.db2.gz FMDVOPSLWVPXGJ-HNNXBMFYSA-N 1 2 295.386 3.484 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCCOC(C)(C)C ZINC000853835461 637935502 /nfs/dbraw/zinc/93/55/02/637935502.db2.gz FXAMYDAYOFYHJX-UHFFFAOYSA-N 1 2 290.407 3.491 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(C#N)c1O ZINC000924550064 638359149 /nfs/dbraw/zinc/35/91/49/638359149.db2.gz HQCZZHZMBIXPKG-DLBZAZTESA-N 1 2 296.370 3.038 20 30 CGEDLO CCCCOCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000924854953 638415513 /nfs/dbraw/zinc/41/55/13/638415513.db2.gz VQPCJONQLRMBIA-HNNXBMFYSA-N 1 2 276.380 3.121 20 30 CGEDLO CC[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926468997 638774490 /nfs/dbraw/zinc/77/44/90/638774490.db2.gz KWOZXEQTOFFHLM-ZDUSSCGKSA-N 1 2 280.318 3.350 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000926799663 638813817 /nfs/dbraw/zinc/81/38/17/638813817.db2.gz RYAMPBDLVYPBJG-GRYCIOLGSA-N 1 2 284.281 3.255 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCC(C#N)CC1 ZINC000929774029 638949353 /nfs/dbraw/zinc/94/93/53/638949353.db2.gz HMZCZPJDFDHRBK-UHFFFAOYSA-N 1 2 271.364 3.325 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)CC1CCC(C#N)CC1 ZINC000929774029 638949355 /nfs/dbraw/zinc/94/93/55/638949355.db2.gz HMZCZPJDFDHRBK-UHFFFAOYSA-N 1 2 271.364 3.325 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000930533100 639019791 /nfs/dbraw/zinc/01/97/91/639019791.db2.gz FTPLMMAAGKGAPL-ZIAGYGMSSA-N 1 2 277.412 3.016 20 30 CGEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)CC(C)(C)C#N ZINC000930568739 639028586 /nfs/dbraw/zinc/02/85/86/639028586.db2.gz PIINVBHJIWMLSJ-UHFFFAOYSA-N 1 2 261.756 3.193 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC(C)(C)C#N ZINC000930568739 639028587 /nfs/dbraw/zinc/02/85/87/639028587.db2.gz PIINVBHJIWMLSJ-UHFFFAOYSA-N 1 2 261.756 3.193 20 30 CGEDLO N#CC1(CCCC[N@@H+]2Cc3ccccc3NC(=O)C2)CCC1 ZINC000930888591 639082802 /nfs/dbraw/zinc/08/28/02/639082802.db2.gz SXIYZZUPHCNNOH-UHFFFAOYSA-N 1 2 297.402 3.305 20 30 CGEDLO N#CC1(CCCC[N@H+]2Cc3ccccc3NC(=O)C2)CCC1 ZINC000930888591 639082809 /nfs/dbraw/zinc/08/28/09/639082809.db2.gz SXIYZZUPHCNNOH-UHFFFAOYSA-N 1 2 297.402 3.305 20 30 CGEDLO C=CC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000860900578 639459333 /nfs/dbraw/zinc/45/93/33/639459333.db2.gz DXHWIQGMPDTUAB-ZFWWWQNUSA-N 1 2 261.365 3.187 20 30 CGEDLO C=CC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000860900578 639459334 /nfs/dbraw/zinc/45/93/34/639459334.db2.gz DXHWIQGMPDTUAB-ZFWWWQNUSA-N 1 2 261.365 3.187 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000193396368 640455000 /nfs/dbraw/zinc/45/50/00/640455000.db2.gz LOSMASAULUSSAV-UHFFFAOYSA-N 1 2 294.468 3.413 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000193396368 640455008 /nfs/dbraw/zinc/45/50/08/640455008.db2.gz LOSMASAULUSSAV-UHFFFAOYSA-N 1 2 294.468 3.413 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nc(C)cs1 ZINC000080275300 640460260 /nfs/dbraw/zinc/46/02/60/640460260.db2.gz BVMHRYHYCLXWKH-CYBMUJFWSA-N 1 2 286.400 3.314 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3ccc(C#N)c(F)c3)[nH+]c2c1 ZINC001250786146 805775247 /nfs/dbraw/zinc/77/52/47/805775247.db2.gz SFNGDOYSABVKFZ-UHFFFAOYSA-N 1 2 280.306 3.307 20 30 CGEDLO N#CCc1cc[nH+]c(NC23CCC(C#N)(CC2)CC3)c1 ZINC001158785141 806003198 /nfs/dbraw/zinc/00/31/98/806003198.db2.gz ILSBYOMYRUNCNJ-UHFFFAOYSA-N 1 2 266.348 3.176 20 30 CGEDLO C=CCCCNc1nc(C)[nH+]c2cc(OC)c(OC)cc21 ZINC001159259678 806067079 /nfs/dbraw/zinc/06/70/79/806067079.db2.gz QDZLFBAYODLGBC-UHFFFAOYSA-N 1 2 287.363 3.334 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252603509 806082656 /nfs/dbraw/zinc/08/26/56/806082656.db2.gz YFVVTZMFHHTEKQ-MRXNPFEDSA-N 1 2 292.810 3.383 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001252603509 806082665 /nfs/dbraw/zinc/08/26/65/806082665.db2.gz YFVVTZMFHHTEKQ-MRXNPFEDSA-N 1 2 292.810 3.383 20 30 CGEDLO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC001252982481 806144874 /nfs/dbraw/zinc/14/48/74/806144874.db2.gz FJFCDAUUMXLTPM-MRXNPFEDSA-N 1 2 281.444 3.391 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+]C(CC)(CC)C(=O)OC ZINC001253256608 806199164 /nfs/dbraw/zinc/19/91/64/806199164.db2.gz CLWUZDIAMFJGFP-HNNXBMFYSA-N 1 2 299.455 3.195 20 30 CGEDLO CCC(C)(C)C1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001257402953 807139423 /nfs/dbraw/zinc/13/94/23/807139423.db2.gz MWOPXPFPHLTVPV-BPCQOVAHSA-N 1 2 287.469 3.042 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254654596 806474970 /nfs/dbraw/zinc/47/49/70/806474970.db2.gz WHAJNXMHZDCWLI-HZPDHXFCSA-N 1 2 253.349 3.095 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254654596 806474975 /nfs/dbraw/zinc/47/49/75/806474975.db2.gz WHAJNXMHZDCWLI-HZPDHXFCSA-N 1 2 253.349 3.095 20 30 CGEDLO C#CC[N@@H+](Cc1sccc1Br)CC1CC1 ZINC001254929322 806510637 /nfs/dbraw/zinc/51/06/37/806510637.db2.gz YSIYMXUGAHURJO-UHFFFAOYSA-N 1 2 284.222 3.356 20 30 CGEDLO C#CC[N@H+](Cc1sccc1Br)CC1CC1 ZINC001254929322 806510644 /nfs/dbraw/zinc/51/06/44/806510644.db2.gz YSIYMXUGAHURJO-UHFFFAOYSA-N 1 2 284.222 3.356 20 30 CGEDLO Cc1ncc(CNc2cc(C3(C#N)CC3)cc[nH+]2)s1 ZINC001162156701 806516856 /nfs/dbraw/zinc/51/68/56/806516856.db2.gz WBMXWTQZCILTRX-UHFFFAOYSA-N 1 2 270.361 3.014 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001255172673 806566829 /nfs/dbraw/zinc/56/68/29/806566829.db2.gz RKTBHWMEXBGSCG-OLZOCXBDSA-N 1 2 280.318 3.110 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001255172673 806566832 /nfs/dbraw/zinc/56/68/32/806566832.db2.gz RKTBHWMEXBGSCG-OLZOCXBDSA-N 1 2 280.318 3.110 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001255176223 806570086 /nfs/dbraw/zinc/57/00/86/806570086.db2.gz YMVFSNUTCJHDIJ-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001255176223 806570094 /nfs/dbraw/zinc/57/00/94/806570094.db2.gz YMVFSNUTCJHDIJ-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO C#CC1(Nc2cc(N(CC)CC)nc[nH+]2)CCCCC1 ZINC001162479401 806595073 /nfs/dbraw/zinc/59/50/73/806595073.db2.gz CJCYCWPQWUMLNA-UHFFFAOYSA-N 1 2 272.396 3.071 20 30 CGEDLO C#CC1(Nc2cc(N(CC)CC)[nH+]cn2)CCCCC1 ZINC001162479401 806595081 /nfs/dbraw/zinc/59/50/81/806595081.db2.gz CJCYCWPQWUMLNA-UHFFFAOYSA-N 1 2 272.396 3.071 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3cnc(Cl)cn3)c2c1 ZINC001162650130 806638653 /nfs/dbraw/zinc/63/86/53/806638653.db2.gz NGPZQINHPKEVMR-UHFFFAOYSA-N 1 2 295.733 3.162 20 30 CGEDLO C#CCCC1(CCNc2cc(C(C)C)[nH+]c(C)n2)N=N1 ZINC001163378015 806754446 /nfs/dbraw/zinc/75/44/46/806754446.db2.gz SIEBCGMMGKOCJL-UHFFFAOYSA-N 1 2 271.368 3.286 20 30 CGEDLO C=CC[C@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(=O)OCC ZINC001255854902 806770673 /nfs/dbraw/zinc/77/06/73/806770673.db2.gz WZIPOHDRQZROEE-JCYILVPMSA-N 1 2 287.403 3.338 20 30 CGEDLO C#Cc1ccc(C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000809540277 800442961 /nfs/dbraw/zinc/44/29/61/800442961.db2.gz PHHWFYFCKGHLCU-UHFFFAOYSA-N 1 2 296.439 3.047 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(C#N)c1O ZINC000822658625 800463900 /nfs/dbraw/zinc/46/39/00/800463900.db2.gz DCMZINHYRORMKI-UKRRQHHQSA-N 1 2 288.391 3.262 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C ZINC001027718117 800816116 /nfs/dbraw/zinc/81/61/16/800816116.db2.gz LODGJWYPWMFXDL-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C ZINC001027718117 800816122 /nfs/dbraw/zinc/81/61/22/800816122.db2.gz LODGJWYPWMFXDL-GFCCVEGCSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001030747702 800896961 /nfs/dbraw/zinc/89/69/61/800896961.db2.gz RNIXGIVPTWLORX-UHFFFAOYSA-N 1 2 292.467 3.215 20 30 CGEDLO N#Cc1ccc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)nc1 ZINC001163984295 806869576 /nfs/dbraw/zinc/86/95/76/806869576.db2.gz SIYHGMWSVKOVRT-MRXNPFEDSA-N 1 2 289.342 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736631 800980484 /nfs/dbraw/zinc/98/04/84/800980484.db2.gz KTDWIKBHAULCST-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736631 800980489 /nfs/dbraw/zinc/98/04/89/800980489.db2.gz KTDWIKBHAULCST-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001042853975 801214452 /nfs/dbraw/zinc/21/44/52/801214452.db2.gz WRZIGIGUYMPCNV-UHFFFAOYSA-N 1 2 286.419 3.142 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001044339165 801234876 /nfs/dbraw/zinc/23/48/76/801234876.db2.gz JAUOIAZGJBYYQS-CQSZACIVSA-N 1 2 286.419 3.142 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046181454 801302398 /nfs/dbraw/zinc/30/23/98/801302398.db2.gz VMEOGDVAHXLTFK-MRXNPFEDSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046181454 801302402 /nfs/dbraw/zinc/30/24/02/801302402.db2.gz VMEOGDVAHXLTFK-MRXNPFEDSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071332530 801527734 /nfs/dbraw/zinc/52/77/34/801527734.db2.gz SEKBTKBSFNWQNM-AAEUAGOBSA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071332530 801527741 /nfs/dbraw/zinc/52/77/41/801527741.db2.gz SEKBTKBSFNWQNM-AAEUAGOBSA-N 1 2 298.839 3.083 20 30 CGEDLO C[C@@]1(CF)CC(F)(F)CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001164563638 806957536 /nfs/dbraw/zinc/95/75/36/806957536.db2.gz QLWIEPLOFZEBPK-ZDUSSCGKSA-N 1 2 294.280 3.008 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001111176807 802157093 /nfs/dbraw/zinc/15/70/93/802157093.db2.gz RZKPRCOIQDWBDV-MYPMTAMASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001111176807 802157096 /nfs/dbraw/zinc/15/70/96/802157096.db2.gz RZKPRCOIQDWBDV-MYPMTAMASA-N 1 2 298.858 3.287 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@@H](CC)CCCCCC)CC1 ZINC001113190415 802203142 /nfs/dbraw/zinc/20/31/42/802203142.db2.gz KIKUPXHJBCOQOJ-INIZCTEOSA-N 1 2 280.456 3.313 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC001119941570 802710803 /nfs/dbraw/zinc/71/08/03/802710803.db2.gz DRHAMEIMCNKUFE-CYBMUJFWSA-N 1 2 284.338 3.044 20 30 CGEDLO COc1ccc(-c2cn3cc[nH+]c3cc2C)cc1C#N ZINC001244708812 803508073 /nfs/dbraw/zinc/50/80/73/803508073.db2.gz DHJSCUGIGVJEAI-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO CCc1cc(-c2cc[nH+]c(N3CCOCC3)c2)ccc1C#N ZINC001244953575 803589939 /nfs/dbraw/zinc/58/99/39/803589939.db2.gz YIHNSYFDSHUFMF-UHFFFAOYSA-N 1 2 293.370 3.019 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2cc(C)ccc2n1 ZINC001137215595 803697500 /nfs/dbraw/zinc/69/75/00/803697500.db2.gz COPPOPQNCORAJT-UHFFFAOYSA-N 1 2 253.349 3.279 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2cc(C)ccc2n1 ZINC001137215595 803697506 /nfs/dbraw/zinc/69/75/06/803697506.db2.gz COPPOPQNCORAJT-UHFFFAOYSA-N 1 2 253.349 3.279 20 30 CGEDLO COc1ccc(F)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001138370862 803907195 /nfs/dbraw/zinc/90/71/95/803907195.db2.gz MAVPNLBLDINEHC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(F)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001138370862 803907203 /nfs/dbraw/zinc/90/72/03/803907203.db2.gz MAVPNLBLDINEHC-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1cn(-c2cc[nH+]cc2Cl)c2ccc(N)cc12 ZINC001212160636 814986809 /nfs/dbraw/zinc/98/68/09/814986809.db2.gz YEAZBUSYYBQCFS-UHFFFAOYSA-N 1 2 268.707 3.133 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212247641 814996764 /nfs/dbraw/zinc/99/67/64/814996764.db2.gz PHDPAJWTIXCXQS-UHFFFAOYSA-N 1 2 265.316 3.389 20 30 CGEDLO C#CC[NH+](CC#C)Cc1sc(-c2ccccc2)nc1C ZINC001139825040 804291411 /nfs/dbraw/zinc/29/14/11/804291411.db2.gz UMRIMMBVGDTUEX-UHFFFAOYSA-N 1 2 280.396 3.187 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891815 804317422 /nfs/dbraw/zinc/31/74/22/804317422.db2.gz GMCCYPVDTIIHCA-LBPRGKRZSA-N 1 2 254.308 3.324 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(F)c3ccccc23)C1 ZINC001139891815 804317432 /nfs/dbraw/zinc/31/74/32/804317432.db2.gz GMCCYPVDTIIHCA-LBPRGKRZSA-N 1 2 254.308 3.324 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(O)cccc1Br ZINC001140101435 804377962 /nfs/dbraw/zinc/37/79/62/804377962.db2.gz RMSKDLMNFXWZFP-UHFFFAOYSA-N 1 2 282.181 3.329 20 30 CGEDLO C[N@H+](Cc1cc(C#N)ccc1Cl)C1CC(F)(F)C1 ZINC001140599401 804471791 /nfs/dbraw/zinc/47/17/91/804471791.db2.gz AWFMSIJNNBPXEK-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)ccc1Cl)C1CC(F)(F)C1 ZINC001140599401 804471795 /nfs/dbraw/zinc/47/17/95/804471795.db2.gz AWFMSIJNNBPXEK-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)CCC#N ZINC001140962614 804560491 /nfs/dbraw/zinc/56/04/91/804560491.db2.gz HRGMRYGGJHIMBT-UHFFFAOYSA-N 1 2 272.270 3.239 20 30 CGEDLO Cc1cc(OC(F)(F)F)ccc1C[N@@H+](C)CCC#N ZINC001140962614 804560496 /nfs/dbraw/zinc/56/04/96/804560496.db2.gz HRGMRYGGJHIMBT-UHFFFAOYSA-N 1 2 272.270 3.239 20 30 CGEDLO CCCCc1[nH]c(CN(CC#N)Cc2ccccc2)c[nH+]1 ZINC001141072806 804584987 /nfs/dbraw/zinc/58/49/87/804584987.db2.gz ZUDIAIGCELKBLX-UHFFFAOYSA-N 1 2 282.391 3.278 20 30 CGEDLO CCCCc1[nH]cc(CN(CC#N)Cc2ccccc2)[nH+]1 ZINC001141072806 804584990 /nfs/dbraw/zinc/58/49/90/804584990.db2.gz ZUDIAIGCELKBLX-UHFFFAOYSA-N 1 2 282.391 3.278 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001141972934 804683340 /nfs/dbraw/zinc/68/33/40/804683340.db2.gz WBCKDPFRFDFSGF-HNNXBMFYSA-N 1 2 297.423 3.369 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CCO1 ZINC001141972934 804683344 /nfs/dbraw/zinc/68/33/44/804683344.db2.gz WBCKDPFRFDFSGF-HNNXBMFYSA-N 1 2 297.423 3.369 20 30 CGEDLO Cc1cc2c(cn1)C[N@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142922593 804784885 /nfs/dbraw/zinc/78/48/85/804784885.db2.gz NCSXJEKGQJFXBF-UHFFFAOYSA-N 1 2 288.354 3.259 20 30 CGEDLO Cc1cc2c(cn1)C[N@@H+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001142922593 804784888 /nfs/dbraw/zinc/78/48/88/804784888.db2.gz NCSXJEKGQJFXBF-UHFFFAOYSA-N 1 2 288.354 3.259 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(F)c(OC)c1F ZINC001143321532 804835268 /nfs/dbraw/zinc/83/52/68/804835268.db2.gz KKWVSIZQSBEGFA-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO CC[N@H+](Cc1cncc(C#N)c1)Cc1cccc(F)c1F ZINC001144084779 804936038 /nfs/dbraw/zinc/93/60/38/804936038.db2.gz MHHAPERPDUYEBN-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO CC[N@@H+](Cc1cncc(C#N)c1)Cc1cccc(F)c1F ZINC001144084779 804936043 /nfs/dbraw/zinc/93/60/43/804936043.db2.gz MHHAPERPDUYEBN-UHFFFAOYSA-N 1 2 287.313 3.254 20 30 CGEDLO COc1cc(OC)c(C[N@@H+]2CC[C@@H](C#N)C2)c2ccccc12 ZINC001249445866 805152630 /nfs/dbraw/zinc/15/26/30/805152630.db2.gz UHTDQQWRIRBSDL-ZDUSSCGKSA-N 1 2 296.370 3.202 20 30 CGEDLO COc1cc(OC)c(C[N@H+]2CC[C@@H](C#N)C2)c2ccccc12 ZINC001249445866 805152635 /nfs/dbraw/zinc/15/26/35/805152635.db2.gz UHTDQQWRIRBSDL-ZDUSSCGKSA-N 1 2 296.370 3.202 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001258030747 807269872 /nfs/dbraw/zinc/26/98/72/807269872.db2.gz YEASUGUSXUUASU-DQPZFDDXSA-N 1 2 294.439 3.416 20 30 CGEDLO Cc1[nH+]c(C(C)(C)C)nc(NCCCCC#N)c1C ZINC001168428836 807412800 /nfs/dbraw/zinc/41/28/00/807412800.db2.gz GSKUYNCXJXMVOJ-UHFFFAOYSA-N 1 2 260.385 3.497 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](CCC)Cc1ccccc1)C(=O)OC ZINC001258651819 807523138 /nfs/dbraw/zinc/52/31/38/807523138.db2.gz HBTNASWIUBONRZ-HOTGVXAUSA-N 1 2 275.392 3.105 20 30 CGEDLO Cc1cccc(NCCc2cn3ccccc3[nH+]2)c1C#N ZINC001169004849 807549787 /nfs/dbraw/zinc/54/97/87/807549787.db2.gz SRFKBNFDUUXKAG-UHFFFAOYSA-N 1 2 276.343 3.169 20 30 CGEDLO SCc1ccccc1NCCc1cn2ccccc2[nH+]1 ZINC001169009251 807551357 /nfs/dbraw/zinc/55/13/57/807551357.db2.gz POSWNUHGIVFZMX-UHFFFAOYSA-N 1 2 283.400 3.419 20 30 CGEDLO C=CCC[C@H](C)[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC001258719476 807568822 /nfs/dbraw/zinc/56/88/22/807568822.db2.gz FIFBXGWAKWITEF-AWEZNQCLSA-N 1 2 287.403 3.031 20 30 CGEDLO C=C[C@@H](CO)Nc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001169784715 807708352 /nfs/dbraw/zinc/70/83/52/807708352.db2.gz QTGHTDWQFDBHSA-ZDUSSCGKSA-N 1 2 279.343 3.189 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)co1 ZINC001261505051 807753190 /nfs/dbraw/zinc/75/31/90/807753190.db2.gz YFBZDZUVOBSZNY-FPLPWBNLSA-N 1 2 285.347 3.155 20 30 CGEDLO Cc1nc(NCC#Cc2ccccc2)c2c([nH+]1)CCCC2 ZINC001170425910 807838510 /nfs/dbraw/zinc/83/85/10/807838510.db2.gz JXSMDQFEEGWGCV-UHFFFAOYSA-N 1 2 277.371 3.127 20 30 CGEDLO CC[C@H](C)OCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001172340860 808241381 /nfs/dbraw/zinc/24/13/81/808241381.db2.gz RNPRCTGQSYMKEO-CVEARBPZSA-N 1 2 289.423 3.391 20 30 CGEDLO CC[C@H](C)OCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001172340860 808241385 /nfs/dbraw/zinc/24/13/85/808241385.db2.gz RNPRCTGQSYMKEO-CVEARBPZSA-N 1 2 289.423 3.391 20 30 CGEDLO C#CC[C@H]([NH2+][C@H](CCC)CCCCCC)C(=O)OC ZINC001172385931 808279404 /nfs/dbraw/zinc/27/94/04/808279404.db2.gz BFBLHARTYCDBSQ-CABCVRRESA-N 1 2 267.413 3.280 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C=C(CC)CC)C1CC1 ZINC001267323398 808415606 /nfs/dbraw/zinc/41/56/06/808415606.db2.gz MAZYRJUEISICON-UHFFFAOYSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C=C(CC)CC)C1CC1 ZINC001267323398 808415612 /nfs/dbraw/zinc/41/56/12/808415612.db2.gz MAZYRJUEISICON-UHFFFAOYSA-N 1 2 284.831 3.066 20 30 CGEDLO N#Cc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1F ZINC001213030622 815204732 /nfs/dbraw/zinc/20/47/32/815204732.db2.gz JKCYMPKFKZFCDD-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172868074 808469718 /nfs/dbraw/zinc/46/97/18/808469718.db2.gz DHPURSMCWNQSRY-MNOVXSKESA-N 1 2 266.747 3.256 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1Cl)[N@H+]1CC[C@@H](C#N)C1 ZINC001172868074 808469720 /nfs/dbraw/zinc/46/97/20/808469720.db2.gz DHPURSMCWNQSRY-MNOVXSKESA-N 1 2 266.747 3.256 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173043530 808498328 /nfs/dbraw/zinc/49/83/28/808498328.db2.gz DDSXLHSZXJTMPQ-OAHLLOKOSA-N 1 2 264.413 3.398 20 30 CGEDLO C=CCOC1CCC([N@@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001173321860 808611909 /nfs/dbraw/zinc/61/19/09/808611909.db2.gz QUOJNVRCDXHGKT-HSBZDZAISA-N 1 2 291.357 3.427 20 30 CGEDLO C=CCOC1CCC([N@H+]2CC[C@@H](CF)C(F)(F)C2)CC1 ZINC001173321860 808611916 /nfs/dbraw/zinc/61/19/16/808611916.db2.gz QUOJNVRCDXHGKT-HSBZDZAISA-N 1 2 291.357 3.427 20 30 CGEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@](C)(C#N)CC(C)C)C1 ZINC001173635000 808657383 /nfs/dbraw/zinc/65/73/83/808657383.db2.gz XQTSDFLOLRNTEO-YCPHGPKFSA-N 1 2 280.412 3.026 20 30 CGEDLO CC(=O)Oc1ccc(C2CCC([NH+]3CC(C#N)C3)CC2)cc1 ZINC001173793121 808672112 /nfs/dbraw/zinc/67/21/12/808672112.db2.gz OPTRAPHKJDGSAY-UHFFFAOYSA-N 1 2 298.386 3.093 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001275711779 808960290 /nfs/dbraw/zinc/96/02/90/808960290.db2.gz ABLCYVXCHKIHQV-AWEZNQCLSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001275711779 808960295 /nfs/dbraw/zinc/96/02/95/808960295.db2.gz ABLCYVXCHKIHQV-AWEZNQCLSA-N 1 2 294.826 3.106 20 30 CGEDLO C=CCCCCCCCCN1CC2(CC[N@H+]2C)C1 ZINC001276042923 808985847 /nfs/dbraw/zinc/98/58/47/808985847.db2.gz LSIDEQMWRUJFDO-UHFFFAOYSA-N 1 2 250.430 3.293 20 30 CGEDLO C=CCCCCCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001276042923 808985849 /nfs/dbraw/zinc/98/58/49/808985849.db2.gz LSIDEQMWRUJFDO-UHFFFAOYSA-N 1 2 250.430 3.293 20 30 CGEDLO N#Cc1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175351358 809374236 /nfs/dbraw/zinc/37/42/36/809374236.db2.gz RHHRIWIDAPFTTF-UHFFFAOYSA-N 1 2 264.332 3.297 20 30 CGEDLO C#CCOc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175352580 809374378 /nfs/dbraw/zinc/37/43/78/809374378.db2.gz WSGVLGHHPFMLQF-UHFFFAOYSA-N 1 2 293.370 3.437 20 30 CGEDLO C#Cc1cc(Nc2ccc3cc(O)ccc3c2)cc[nH+]1 ZINC001176386217 809683032 /nfs/dbraw/zinc/68/30/32/809683032.db2.gz FYOXYGKIWMIGPE-UHFFFAOYSA-N 1 2 260.296 3.087 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)cc[nH+]1 ZINC001176637611 809735366 /nfs/dbraw/zinc/73/53/66/809735366.db2.gz AKRSHIANRSKNHG-UHFFFAOYSA-N 1 2 278.233 3.127 20 30 CGEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H](C)CC#N ZINC001179479900 809924424 /nfs/dbraw/zinc/92/44/24/809924424.db2.gz XIYRYZFMGMULAZ-LLVKDONJSA-N 1 2 286.354 3.020 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC001192943682 810832592 /nfs/dbraw/zinc/83/25/92/810832592.db2.gz DHXNONCCONPVMI-AWEZNQCLSA-N 1 2 294.443 3.011 20 30 CGEDLO CCCCCCCCCOC(=O)NCc1c[nH+]cn1C ZINC001194909798 811168980 /nfs/dbraw/zinc/16/89/80/811168980.db2.gz BPKZOIRIZUSPSZ-UHFFFAOYSA-N 1 2 281.400 3.397 20 30 CGEDLO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201559431 811903542 /nfs/dbraw/zinc/90/35/42/811903542.db2.gz JSDQJGGJMSCYLV-TZMCWYRMSA-N 1 2 267.438 3.477 20 30 CGEDLO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201559431 811903544 /nfs/dbraw/zinc/90/35/44/811903544.db2.gz JSDQJGGJMSCYLV-TZMCWYRMSA-N 1 2 267.438 3.477 20 30 CGEDLO COc1ccc(C#N)cc1Nc1cc[nH+]c(SC)c1 ZINC001201585264 811913368 /nfs/dbraw/zinc/91/33/68/811913368.db2.gz GWCIEENPZWDGQG-UHFFFAOYSA-N 1 2 271.345 3.427 20 30 CGEDLO CCCCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201762355 811963291 /nfs/dbraw/zinc/96/32/91/811963291.db2.gz HIUFQLVIQQLYLR-CYBMUJFWSA-N 1 2 253.411 3.231 20 30 CGEDLO CCCCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201762355 811963295 /nfs/dbraw/zinc/96/32/95/811963295.db2.gz HIUFQLVIQQLYLR-CYBMUJFWSA-N 1 2 253.411 3.231 20 30 CGEDLO COc1ccc(O)c(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001203665213 812422665 /nfs/dbraw/zinc/42/26/65/812422665.db2.gz BQRDSLYKGNLHQW-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO COc1ccc(O)c(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001203665213 812422670 /nfs/dbraw/zinc/42/26/70/812422670.db2.gz BQRDSLYKGNLHQW-UHFFFAOYSA-N 1 2 296.370 3.317 20 30 CGEDLO N#Cc1c(F)cc(Nc2cccc3[nH+]ccn32)cc1F ZINC001203668796 812424451 /nfs/dbraw/zinc/42/44/51/812424451.db2.gz IYGIJVVTPVWTRU-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO N#Cc1ncc(Nc2ccc([NH+]3CCCCC3)cc2)cn1 ZINC001203717381 812440370 /nfs/dbraw/zinc/44/03/70/812440370.db2.gz BCLRABAGNCSFQK-UHFFFAOYSA-N 1 2 279.347 3.082 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2sccc2Cl)n1 ZINC001203856410 812475857 /nfs/dbraw/zinc/47/58/57/812475857.db2.gz JPLSKTSUCOYMSX-UHFFFAOYSA-N 1 2 269.782 3.019 20 30 CGEDLO COc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(F)c1 ZINC001204908440 812770318 /nfs/dbraw/zinc/77/03/18/812770318.db2.gz ZCKMRZTULQGCKR-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(F)c1 ZINC001204908440 812770322 /nfs/dbraw/zinc/77/03/22/812770322.db2.gz ZCKMRZTULQGCKR-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CCC[C@H]([NH2+]C[C@H](OC)C1CCCCC1)C(=O)OCC ZINC001205849531 813107383 /nfs/dbraw/zinc/10/73/83/813107383.db2.gz RIYJNYXYZRARBH-HOTGVXAUSA-N 1 2 297.439 3.069 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411830 813557999 /nfs/dbraw/zinc/55/79/99/813557999.db2.gz UHLKMYARQIPCBS-GDBMZVCRSA-N 1 2 278.440 3.498 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411830 813558004 /nfs/dbraw/zinc/55/80/04/813558004.db2.gz UHLKMYARQIPCBS-GDBMZVCRSA-N 1 2 278.440 3.498 20 30 CGEDLO Cc1ccc(CCC[N@H+](CCC#N)Cc2cccnc2)o1 ZINC001207945184 813676257 /nfs/dbraw/zinc/67/62/57/813676257.db2.gz ZHHBNTANTVHNNB-UHFFFAOYSA-N 1 2 283.375 3.332 20 30 CGEDLO Cc1ccc(CCC[N@@H+](CCC#N)Cc2cccnc2)o1 ZINC001207945184 813676260 /nfs/dbraw/zinc/67/62/60/813676260.db2.gz ZHHBNTANTVHNNB-UHFFFAOYSA-N 1 2 283.375 3.332 20 30 CGEDLO C=CCCCC[N@@H+](CC(=O)OCC)Cc1ccsc1 ZINC001209206892 813968134 /nfs/dbraw/zinc/96/81/34/813968134.db2.gz CNUAUBGMRIPSHH-UHFFFAOYSA-N 1 2 281.421 3.470 20 30 CGEDLO C=CCCCC[N@H+](CC(=O)OCC)Cc1ccsc1 ZINC001209206892 813968136 /nfs/dbraw/zinc/96/81/36/813968136.db2.gz CNUAUBGMRIPSHH-UHFFFAOYSA-N 1 2 281.421 3.470 20 30 CGEDLO C=CCCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001209441088 814041299 /nfs/dbraw/zinc/04/12/99/814041299.db2.gz SLFUIXLTQSSHBJ-GFCCVEGCSA-N 1 2 265.319 3.386 20 30 CGEDLO C=CCCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001209441088 814041304 /nfs/dbraw/zinc/04/13/04/814041304.db2.gz SLFUIXLTQSSHBJ-GFCCVEGCSA-N 1 2 265.319 3.386 20 30 CGEDLO Cc1cc(Cl)ncc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001209631383 814101986 /nfs/dbraw/zinc/10/19/86/814101986.db2.gz KQTWYYHHSRRCTK-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1cc(Cl)ncc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001209631383 814101991 /nfs/dbraw/zinc/10/19/91/814101991.db2.gz KQTWYYHHSRRCTK-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(C2CCCCC2)cc1 ZINC001210197163 814334240 /nfs/dbraw/zinc/33/42/40/814334240.db2.gz YJFJJXSNPCZIHQ-GOSISDBHSA-N 1 2 283.419 3.032 20 30 CGEDLO CCc1[nH+]ccc(C)c1Nc1cnc(C#N)c(C)c1 ZINC001210202322 814336944 /nfs/dbraw/zinc/33/69/44/814336944.db2.gz HTWLJDXSHMJGOX-UHFFFAOYSA-N 1 2 252.321 3.271 20 30 CGEDLO Cc1cc(C#N)c(F)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210291069 814388218 /nfs/dbraw/zinc/38/82/18/814388218.db2.gz JNSPKYZTYUMEFN-UHFFFAOYSA-N 1 2 256.284 3.035 20 30 CGEDLO N#Cc1cc(Nc2[nH+]cccc2N2CCCCC2)ccc1O ZINC001210530741 814511880 /nfs/dbraw/zinc/51/18/80/814511880.db2.gz MUTMFCYOUOTHKF-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO Cc1cc(O)c[nH+]c1Nc1cc(Cl)cc(C#N)c1 ZINC001210536300 814513722 /nfs/dbraw/zinc/51/37/22/814513722.db2.gz OFTDYXZFRGDZPW-UHFFFAOYSA-N 1 2 259.696 3.364 20 30 CGEDLO C[C@H]1CC(=O)C=C(Nc2cn3c(cccc3Cl)[nH+]2)C1 ZINC001210771436 814617244 /nfs/dbraw/zinc/61/72/44/814617244.db2.gz NOKRNHWHGUDHPB-SECBINFHSA-N 1 2 275.739 3.283 20 30 CGEDLO C=CCOc1ccccc1[C@@H](C)OCCn1cc[nH+]c1 ZINC001222138881 816358127 /nfs/dbraw/zinc/35/81/27/816358127.db2.gz LJRQRBVOWMTWSO-CQSZACIVSA-N 1 2 272.348 3.226 20 30 CGEDLO C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc[nH+]cc1 ZINC001225290971 816997875 /nfs/dbraw/zinc/99/78/75/816997875.db2.gz MLYIUCIYRWPZQQ-CQSZACIVSA-N 1 2 290.363 3.026 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221753 818284275 /nfs/dbraw/zinc/28/42/75/818284275.db2.gz DLTQCQMZDCAIQN-ZDUSSCGKSA-N 1 2 288.354 3.128 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232221753 818284278 /nfs/dbraw/zinc/28/42/78/818284278.db2.gz DLTQCQMZDCAIQN-ZDUSSCGKSA-N 1 2 288.354 3.128 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232444178 818350021 /nfs/dbraw/zinc/35/00/21/818350021.db2.gz QHVPGLGRPLCICN-JTQLQIEISA-N 1 2 272.270 3.424 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232444178 818350026 /nfs/dbraw/zinc/35/00/26/818350026.db2.gz QHVPGLGRPLCICN-JTQLQIEISA-N 1 2 272.270 3.424 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc3ccoc3cn1)C2 ZINC001232549300 818382454 /nfs/dbraw/zinc/38/24/54/818382454.db2.gz DUYHQGLSWFTPDM-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc3ccoc3cn1)C2 ZINC001232549300 818382460 /nfs/dbraw/zinc/38/24/60/818382460.db2.gz DUYHQGLSWFTPDM-UHFFFAOYSA-N 1 2 289.338 3.258 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001232606308 818394742 /nfs/dbraw/zinc/39/47/42/818394742.db2.gz NXNGSOYXGRMLKV-BLLLJJGKSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001232606308 818394749 /nfs/dbraw/zinc/39/47/49/818394749.db2.gz NXNGSOYXGRMLKV-BLLLJJGKSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001232678894 818416664 /nfs/dbraw/zinc/41/66/64/818416664.db2.gz UCKRGRKKYAFZIJ-UHFFFAOYSA-N 1 2 288.366 3.368 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001232678894 818416666 /nfs/dbraw/zinc/41/66/66/818416666.db2.gz UCKRGRKKYAFZIJ-UHFFFAOYSA-N 1 2 288.366 3.368 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001232675916 818417587 /nfs/dbraw/zinc/41/75/87/818417587.db2.gz FJGCSUZKQHLEBN-LBPRGKRZSA-N 1 2 284.281 3.038 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001232675916 818417590 /nfs/dbraw/zinc/41/75/90/818417590.db2.gz FJGCSUZKQHLEBN-LBPRGKRZSA-N 1 2 284.281 3.038 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001232678877 818417751 /nfs/dbraw/zinc/41/77/51/818417751.db2.gz SIQXOXKVQFTOHB-UKRRQHHQSA-N 1 2 256.349 3.028 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001232678877 818417755 /nfs/dbraw/zinc/41/77/55/818417755.db2.gz SIQXOXKVQFTOHB-UKRRQHHQSA-N 1 2 256.349 3.028 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001232678290 818418046 /nfs/dbraw/zinc/41/80/46/818418046.db2.gz TWHMAXHGXZVHOL-UHFFFAOYSA-N 1 2 268.316 3.021 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001232678878 818418092 /nfs/dbraw/zinc/41/80/92/818418092.db2.gz SIQXOXKVQFTOHB-ZFWWWQNUSA-N 1 2 256.349 3.028 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001232678878 818418097 /nfs/dbraw/zinc/41/80/97/818418097.db2.gz SIQXOXKVQFTOHB-ZFWWWQNUSA-N 1 2 256.349 3.028 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3ncsc3c2)C1 ZINC001232743606 818430924 /nfs/dbraw/zinc/43/09/24/818430924.db2.gz CNFYQOZGSWXTID-AWEZNQCLSA-N 1 2 257.362 3.032 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232743606 818430927 /nfs/dbraw/zinc/43/09/27/818430927.db2.gz CNFYQOZGSWXTID-AWEZNQCLSA-N 1 2 257.362 3.032 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc(Br)ccc1OC ZINC001232815519 818447056 /nfs/dbraw/zinc/44/70/56/818447056.db2.gz NRKUVEKKYFFMCN-UHFFFAOYSA-N 1 2 297.196 3.027 20 30 CGEDLO C[C@H]1C(=O)CC[N@H+](Cc2ccc(C#N)s2)C12CCCC2 ZINC001232844721 818455222 /nfs/dbraw/zinc/45/52/22/818455222.db2.gz ANAHVNGFCPCKLB-LBPRGKRZSA-N 1 2 288.416 3.343 20 30 CGEDLO C[C@H]1C(=O)CC[N@@H+](Cc2ccc(C#N)s2)C12CCCC2 ZINC001232844721 818455224 /nfs/dbraw/zinc/45/52/24/818455224.db2.gz ANAHVNGFCPCKLB-LBPRGKRZSA-N 1 2 288.416 3.343 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(F)(F)CC2)c(C#N)c1 ZINC001232963164 818483658 /nfs/dbraw/zinc/48/36/58/818483658.db2.gz YRVSGYZWZMQOGZ-UHFFFAOYSA-N 1 2 250.292 3.098 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1O ZINC001233078991 818518588 /nfs/dbraw/zinc/51/85/88/818518588.db2.gz RGAGJSFJBIGTSO-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1-c1ccc(F)c(C#N)c1 ZINC001235894618 819204423 /nfs/dbraw/zinc/20/44/23/819204423.db2.gz LSXGNYRMFWJTCS-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236898684 819633308 /nfs/dbraw/zinc/63/33/08/819633308.db2.gz OBMDWRGMWILIEH-LLVKDONJSA-N 1 2 258.296 3.307 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236898684 819633311 /nfs/dbraw/zinc/63/33/11/819633311.db2.gz OBMDWRGMWILIEH-LLVKDONJSA-N 1 2 258.296 3.307 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237126516 819673592 /nfs/dbraw/zinc/67/35/92/819673592.db2.gz MHIBFSWCWCBCQN-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237126516 819673594 /nfs/dbraw/zinc/67/35/94/819673594.db2.gz MHIBFSWCWCBCQN-SNVBAGLBSA-N 1 2 282.746 3.310 20 30 CGEDLO N#Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)cc1F ZINC001237528109 819772265 /nfs/dbraw/zinc/77/22/65/819772265.db2.gz QXGWWKZEPOIVMO-TXEJJXNPSA-N 1 2 298.283 3.314 20 30 CGEDLO N#Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)cc1F ZINC001237528109 819772267 /nfs/dbraw/zinc/77/22/67/819772267.db2.gz QXGWWKZEPOIVMO-TXEJJXNPSA-N 1 2 298.283 3.314 20 30 CGEDLO Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237733717 819823869 /nfs/dbraw/zinc/82/38/69/819823869.db2.gz GBZNNUBLFNUHMN-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237733717 819823879 /nfs/dbraw/zinc/82/38/79/819823879.db2.gz GBZNNUBLFNUHMN-CQSZACIVSA-N 1 2 293.819 3.423 20 30 CGEDLO N#Cc1cc(Cl)cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001237752025 819837377 /nfs/dbraw/zinc/83/73/77/819837377.db2.gz BQCROMYZFIVJEF-CYBMUJFWSA-N 1 2 296.798 3.241 20 30 CGEDLO C[N@H+](Cc1cncs1)Cc1cc(Cl)cc(C#N)c1 ZINC001237754816 819837588 /nfs/dbraw/zinc/83/75/88/819837588.db2.gz XQDMLSLHDQFZSL-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cncs1)Cc1cc(Cl)cc(C#N)c1 ZINC001237754816 819837595 /nfs/dbraw/zinc/83/75/95/819837595.db2.gz XQDMLSLHDQFZSL-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO SC1CC[NH+](Cc2cncc(Cl)c2Cl)CC1 ZINC001238011176 819912125 /nfs/dbraw/zinc/91/21/25/819912125.db2.gz IPYOFPOCMBYAKN-UHFFFAOYSA-N 1 2 277.220 3.283 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238474261 820016623 /nfs/dbraw/zinc/01/66/23/820016623.db2.gz VVJHUEALMRGIQO-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238474261 820016633 /nfs/dbraw/zinc/01/66/33/820016633.db2.gz VVJHUEALMRGIQO-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO N#Cc1cc(C(F)(F)F)ccc1-c1cc[nH+]c2c1CCN2 ZINC001238844713 820132862 /nfs/dbraw/zinc/13/28/62/820132862.db2.gz HECKSIXYVLXMOX-UHFFFAOYSA-N 1 2 289.260 3.250 20 30 CGEDLO CC(C)(C#N)c1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219700 820895602 /nfs/dbraw/zinc/89/56/02/820895602.db2.gz RUBRVHQMIQXETG-UHFFFAOYSA-N 1 2 262.316 3.197 20 30 CGEDLO CCOC(=O)c1cc(-c2ccn3cc[nH+]c3c2)ccc1C#N ZINC001240511978 821106608 /nfs/dbraw/zinc/10/66/08/821106608.db2.gz NRECJZWEUPLKOJ-UHFFFAOYSA-N 1 2 291.310 3.050 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3c(c2)OCC3)cc1C#N ZINC001241222280 821647794 /nfs/dbraw/zinc/64/77/94/821647794.db2.gz JETUOBGOAYTDGG-UDWIEESQSA-N 1 2 291.354 3.382 20 30 CGEDLO Cc1cc(-c2ccc(/N=C/N(C)C)c(C#N)c2)cc(C)[nH+]1 ZINC001241993185 822262333 /nfs/dbraw/zinc/26/23/33/822262333.db2.gz HHAXBRXWVLHCTO-YBFXNURJSA-N 1 2 278.359 3.459 20 30 CGEDLO COc1cccc(-c2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC001242298500 822943215 /nfs/dbraw/zinc/94/32/15/822943215.db2.gz PQLDONZSRQMHPI-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO CCc1ccc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]c1 ZINC001339643497 936381399 /nfs/dbraw/zinc/38/13/99/936381399.db2.gz DRVAVJVXXJVFSB-KRWDZBQOSA-N 1 2 293.370 3.094 20 30 CGEDLO C=CCCCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC001473588667 937200161 /nfs/dbraw/zinc/20/01/61/937200161.db2.gz ZHFPTQPQUURYIK-MRXNPFEDSA-N 1 2 275.392 3.107 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC(C)C)C1 ZINC001490452050 928358915 /nfs/dbraw/zinc/35/89/15/928358915.db2.gz JNWMQHDZNPMBGP-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC(C)C)C1 ZINC001490452050 928358928 /nfs/dbraw/zinc/35/89/28/928358928.db2.gz JNWMQHDZNPMBGP-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C[C@H](C(=O)N(O)Cc1cccc2ccccc21)n1cc[nH+]c1 ZINC001458015654 937448806 /nfs/dbraw/zinc/44/88/06/937448806.db2.gz GHSQVTRCKZFMBS-CYBMUJFWSA-N 1 2 295.342 3.015 20 30 CGEDLO CCNc1ccc(Nc2c(C#N)cccc2C#N)c[nH+]1 ZINC001458725227 937472873 /nfs/dbraw/zinc/47/28/73/937472873.db2.gz ISLCNXVUDJZJAO-UHFFFAOYSA-N 1 2 263.304 3.000 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(OC)s1)[C@H]1CCc2ccccc21 ZINC001461990683 937610569 /nfs/dbraw/zinc/61/05/69/937610569.db2.gz YPBGLGFXGIJWNR-INIZCTEOSA-N 1 2 298.411 3.274 20 30 CGEDLO C#CC[N@H+](Cc1cnc(OC)s1)[C@H]1CCc2ccccc21 ZINC001461990683 937610571 /nfs/dbraw/zinc/61/05/71/937610571.db2.gz YPBGLGFXGIJWNR-INIZCTEOSA-N 1 2 298.411 3.274 20 30 CGEDLO C=C[C@H](CCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922112 932643218 /nfs/dbraw/zinc/64/32/18/932643218.db2.gz ZARNKLCKKHHOFS-CQSZACIVSA-N 1 2 259.349 3.491 20 30 CGEDLO C#C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001462273991 937629113 /nfs/dbraw/zinc/62/91/13/937629113.db2.gz BWGOEEAJTMYGOT-GOSISDBHSA-N 1 2 263.315 3.141 20 30 CGEDLO Cc1cc(SCc2ccc[nH+]c2N)ccc1C#N ZINC001307361794 932943820 /nfs/dbraw/zinc/94/38/20/932943820.db2.gz PDQFJTCAYNYZPA-UHFFFAOYSA-N 1 2 255.346 3.136 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001308620157 933145511 /nfs/dbraw/zinc/14/55/11/933145511.db2.gz QXKBBUICVCKCIE-UHFFFAOYSA-N 1 2 295.304 3.173 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001308620157 933145512 /nfs/dbraw/zinc/14/55/12/933145512.db2.gz QXKBBUICVCKCIE-UHFFFAOYSA-N 1 2 295.304 3.173 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(F)cc1 ZINC001308787121 933176438 /nfs/dbraw/zinc/17/64/38/933176438.db2.gz PKLRFIBKUSFZRF-QGZVFWFLSA-N 1 2 281.330 3.225 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@@H](C)c1cc(F)cc(F)c1)C(=O)OC ZINC001308901685 933199182 /nfs/dbraw/zinc/19/91/82/933199182.db2.gz MICOYJBFXVXCBX-IAQYHMDHSA-N 1 2 297.345 3.166 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)C(=O)OC ZINC001308901682 933199262 /nfs/dbraw/zinc/19/92/62/933199262.db2.gz MHFVBCKLFLSCGA-JFIYKMOQSA-N 1 2 287.403 3.278 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001317450208 933594011 /nfs/dbraw/zinc/59/40/11/933594011.db2.gz CXCDRACFNOSVAV-UONOGXRCSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001317450208 933594021 /nfs/dbraw/zinc/59/40/21/933594021.db2.gz CXCDRACFNOSVAV-UONOGXRCSA-N 1 2 298.858 3.025 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001317467174 933598708 /nfs/dbraw/zinc/59/87/08/933598708.db2.gz PULHFGSVGZUYST-CYBMUJFWSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001317467174 933598716 /nfs/dbraw/zinc/59/87/16/933598716.db2.gz PULHFGSVGZUYST-CYBMUJFWSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317755028 933643646 /nfs/dbraw/zinc/64/36/46/933643646.db2.gz WPPNYLFMRULZIT-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317755028 933643649 /nfs/dbraw/zinc/64/36/49/933643649.db2.gz WPPNYLFMRULZIT-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)C2CCC(C)CC2)c1=S ZINC001318035245 933679195 /nfs/dbraw/zinc/67/91/95/933679195.db2.gz RWKXFOQDGUCDMF-UHFFFAOYSA-N 1 2 280.441 3.068 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)C2CCC(C)CC2)c1=S ZINC001318035245 933679198 /nfs/dbraw/zinc/67/91/98/933679198.db2.gz RWKXFOQDGUCDMF-UHFFFAOYSA-N 1 2 280.441 3.068 20 30 CGEDLO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H](C#N)CCC#N ZINC001319015225 933811335 /nfs/dbraw/zinc/81/13/35/933811335.db2.gz PAMGIUKTMDPEAG-ZDUSSCGKSA-N 1 2 266.348 3.043 20 30 CGEDLO C[N@H+](Cc1cc2ccccc2[nH]1)C[C@H](C#N)CCC#N ZINC001319015225 933811341 /nfs/dbraw/zinc/81/13/41/933811341.db2.gz PAMGIUKTMDPEAG-ZDUSSCGKSA-N 1 2 266.348 3.043 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(=O)OCC ZINC001320787109 934103983 /nfs/dbraw/zinc/10/39/83/934103983.db2.gz ITNSUHBRHSXXLH-AVGNSLFASA-N 1 2 285.453 3.004 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OCC ZINC001321967426 934227629 /nfs/dbraw/zinc/22/76/29/934227629.db2.gz OFJNEUTZMPHTHX-GOEBONIOSA-N 1 2 275.392 3.105 20 30 CGEDLO CCNc1ccc(Nc2cccc(F)c2C#N)c[nH+]1 ZINC001472905283 937788546 /nfs/dbraw/zinc/78/85/46/937788546.db2.gz PRKTVHVFIBPKIX-UHFFFAOYSA-N 1 2 256.284 3.268 20 30 CGEDLO COc1cc(C)[nH+]c(CSCCCCC#N)c1 ZINC001324958316 934876120 /nfs/dbraw/zinc/87/61/20/934876120.db2.gz NZXDKZPAEVDUFD-UHFFFAOYSA-N 1 2 250.367 3.326 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c1=S ZINC001329742555 935242412 /nfs/dbraw/zinc/24/24/12/935242412.db2.gz AZEIOPSKGIKRLR-GFCCVEGCSA-N 1 2 282.457 3.172 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)C[C@@H](C)C(C)(C)C)c1=S ZINC001329742555 935242417 /nfs/dbraw/zinc/24/24/17/935242417.db2.gz AZEIOPSKGIKRLR-GFCCVEGCSA-N 1 2 282.457 3.172 20 30 CGEDLO CC(C)(C)c1cn(Cc2ccc(F)cc2C#N)c[nH+]1 ZINC001331891911 935417815 /nfs/dbraw/zinc/41/78/15/935417815.db2.gz QHKGGFQTOVCRSZ-UHFFFAOYSA-N 1 2 257.312 3.240 20 30 CGEDLO CC(C)(C)c1cn(CCC(=O)Nc2cccc(C#N)c2)c[nH+]1 ZINC001332280145 935455628 /nfs/dbraw/zinc/45/56/28/935455628.db2.gz ZNEAUIBOYBRWGH-UHFFFAOYSA-N 1 2 296.374 3.081 20 30 CGEDLO CC[C@H]([NH2+]CCC1CCOCC1)c1cccc(C#N)c1O ZINC001332390660 935463967 /nfs/dbraw/zinc/46/39/67/935463967.db2.gz OWDIMZNLDDPXHE-INIZCTEOSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc(C#N)c1O ZINC001335520338 936150696 /nfs/dbraw/zinc/15/06/96/936150696.db2.gz JHLIBMAXXBHMHQ-FDMSEYEVSA-N 1 2 278.302 3.102 20 30 CGEDLO Cc1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)s1 ZINC001335572689 936153731 /nfs/dbraw/zinc/15/37/31/936153731.db2.gz KMMWZCBKHSWSFQ-UHFFFAOYSA-N 1 2 293.367 3.045 20 30 CGEDLO Cc1cc(CNc2cc(C#N)ccc2C)cc(C)[nH+]1 ZINC001474172449 937842391 /nfs/dbraw/zinc/84/23/91/937842391.db2.gz OXYNINUIEMZXBI-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cnc(F)c(C)c1 ZINC001474340183 937852706 /nfs/dbraw/zinc/85/27/06/937852706.db2.gz ZENBCQDRZZJBLF-UHFFFAOYSA-N 1 2 286.325 3.304 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(F)c(C)c1 ZINC001474340183 937852707 /nfs/dbraw/zinc/85/27/07/937852707.db2.gz ZENBCQDRZZJBLF-UHFFFAOYSA-N 1 2 286.325 3.304 20 30 CGEDLO Cc1ccc2[nH+]cc(CN3Cc4cccc(C#N)c4C3)n2c1 ZINC001474607859 937870153 /nfs/dbraw/zinc/87/01/53/937870153.db2.gz GGLYCVUQVXQXFP-UHFFFAOYSA-N 1 2 288.354 3.030 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@@H](C)C(C)(C)C)C1CC1 ZINC001493381544 937950213 /nfs/dbraw/zinc/95/02/13/937950213.db2.gz GIZFJMOLPRVZGT-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@@H](C)C(C)(C)C)C1CC1 ZINC001493381544 937950214 /nfs/dbraw/zinc/95/02/14/937950214.db2.gz GIZFJMOLPRVZGT-GFCCVEGCSA-N 1 2 286.847 3.002 20 30 CGEDLO CCCCCCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001520891809 938028473 /nfs/dbraw/zinc/02/84/73/938028473.db2.gz QGRYMAIOVJXCBL-UHFFFAOYSA-N 1 2 291.439 3.487 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC001527625810 938062646 /nfs/dbraw/zinc/06/26/46/938062646.db2.gz MLYYRLDWPGPJJE-QGZVFWFLSA-N 1 2 295.386 3.016 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001560130032 938244665 /nfs/dbraw/zinc/24/46/65/938244665.db2.gz JHSMSLBOJYCZTC-INIZCTEOSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001560130032 938244666 /nfs/dbraw/zinc/24/46/66/938244666.db2.gz JHSMSLBOJYCZTC-INIZCTEOSA-N 1 2 272.392 3.457 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC001560209871 938247429 /nfs/dbraw/zinc/24/74/29/938247429.db2.gz ZPYKBYWBMQSXIA-AWEZNQCLSA-N 1 2 290.794 3.075 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC001560209871 938247430 /nfs/dbraw/zinc/24/74/30/938247430.db2.gz ZPYKBYWBMQSXIA-AWEZNQCLSA-N 1 2 290.794 3.075 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(=O)OCC ZINC001560967458 938287139 /nfs/dbraw/zinc/28/71/39/938287139.db2.gz IFDKCKISRKHLGY-GYSYKLTISA-N 1 2 287.831 3.475 20 30 CGEDLO C=C1CCC(CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC001563092643 938300075 /nfs/dbraw/zinc/30/00/75/938300075.db2.gz TULFVOAIRMUEBD-UHFFFAOYSA-N 1 2 284.363 3.202 20 30 CGEDLO N#Cc1cccc(Nc2cccn3cc[nH+]c23)c1F ZINC001216412947 957693087 /nfs/dbraw/zinc/69/30/87/957693087.db2.gz BIDWGNNJKZYHIW-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001571524580 962179390 /nfs/dbraw/zinc/17/93/90/962179390.db2.gz HOMALQAWWFAWQX-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001571524580 962179402 /nfs/dbraw/zinc/17/94/02/962179402.db2.gz HOMALQAWWFAWQX-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc2cnccc21 ZINC000590050724 346824212 /nfs/dbraw/zinc/82/42/12/346824212.db2.gz SGYVBOMSNGQJOB-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc2cnccc21 ZINC000590050724 346824218 /nfs/dbraw/zinc/82/42/18/346824218.db2.gz SGYVBOMSNGQJOB-UHFFFAOYSA-N 1 2 251.333 3.136 20 30 CGEDLO C=CC[C@@H]1CC[C@H]([NH2+]Cc2[nH]ncc2Br)C1 ZINC000651720329 398275280 /nfs/dbraw/zinc/27/52/80/398275280.db2.gz WXZDNKKSISGCII-ZJUUUORDSA-N 1 2 284.201 3.007 20 30 CGEDLO COC(=O)[C@H]([NH2+]CCC1(C#N)CCCCC1)C(C)(C)C ZINC000591019022 346895350 /nfs/dbraw/zinc/89/53/50/346895350.db2.gz DQUYUNGADXZMIV-ZDUSSCGKSA-N 1 2 280.412 3.028 20 30 CGEDLO Cc1nc(N[C@@H]2CCCc3cc(C#N)ccc32)cc[nH+]1 ZINC000419011623 282191192 /nfs/dbraw/zinc/19/11/92/282191192.db2.gz BGJCJXJYEIDHPY-OAHLLOKOSA-N 1 2 264.332 3.146 20 30 CGEDLO CCc1ccc([C@H](CO)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428346697 529724576 /nfs/dbraw/zinc/72/45/76/529724576.db2.gz OREPMETVZSPUQF-SFHVURJKSA-N 1 2 298.361 3.083 20 30 CGEDLO CC(C)[N@H+](Cc1cccs1)Cc1ccncc1C#N ZINC000592061525 346957995 /nfs/dbraw/zinc/95/79/95/346957995.db2.gz LXCQOLSEEBEMDT-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO CC(C)[N@@H+](Cc1cccs1)Cc1ccncc1C#N ZINC000592061525 346957997 /nfs/dbraw/zinc/95/79/97/346957997.db2.gz LXCQOLSEEBEMDT-UHFFFAOYSA-N 1 2 271.389 3.425 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC000592099363 346962502 /nfs/dbraw/zinc/96/25/02/346962502.db2.gz GXRDUZYQCGIISX-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCc2c(F)cccc2F)C1 ZINC000592099363 346962506 /nfs/dbraw/zinc/96/25/06/346962506.db2.gz GXRDUZYQCGIISX-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO CC(C)([NH2+]Cc1ccncc1C#N)c1ccc(F)c(F)c1 ZINC000592100697 346962839 /nfs/dbraw/zinc/96/28/39/346962839.db2.gz ZSOBWMBCZJUALP-UHFFFAOYSA-N 1 2 287.313 3.256 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000592071665 346960744 /nfs/dbraw/zinc/96/07/44/346960744.db2.gz NXJMUUCEAAIPGB-DYVFJYSZSA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H]1c1ccccc1 ZINC000592071665 346960747 /nfs/dbraw/zinc/96/07/47/346960747.db2.gz NXJMUUCEAAIPGB-DYVFJYSZSA-N 1 2 263.344 3.146 20 30 CGEDLO C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151039 346966604 /nfs/dbraw/zinc/96/66/04/346966604.db2.gz JOQGPBOTHHRZNI-IINYFYTJSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151039 346966609 /nfs/dbraw/zinc/96/66/09/346966609.db2.gz JOQGPBOTHHRZNI-IINYFYTJSA-N 1 2 299.201 3.405 20 30 CGEDLO CC(C)Oc1cc[nH+]c(CN2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000593026811 347029454 /nfs/dbraw/zinc/02/94/54/347029454.db2.gz GIERATGKUVODOC-INIZCTEOSA-N 1 2 287.407 3.383 20 30 CGEDLO CCc1cc(CCC[N@@H+]2Cc3cccc(C#N)c3C2)on1 ZINC000593125885 347043184 /nfs/dbraw/zinc/04/31/84/347043184.db2.gz ICKQQYUJPFTBMY-UHFFFAOYSA-N 1 2 281.359 3.057 20 30 CGEDLO CCc1cc(CCC[N@H+]2Cc3cccc(C#N)c3C2)on1 ZINC000593125885 347043187 /nfs/dbraw/zinc/04/31/87/347043187.db2.gz ICKQQYUJPFTBMY-UHFFFAOYSA-N 1 2 281.359 3.057 20 30 CGEDLO C=CCCOCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050487000 345082668 /nfs/dbraw/zinc/08/26/68/345082668.db2.gz OCKSRLKXGUFWKS-UHFFFAOYSA-N 1 2 298.342 3.405 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CCCC1 ZINC000052752503 345107567 /nfs/dbraw/zinc/10/75/67/345107567.db2.gz ZFPWIKKARMQZMM-UHFFFAOYSA-N 1 2 280.331 3.099 20 30 CGEDLO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(C#N)CC1 ZINC000057906780 345190482 /nfs/dbraw/zinc/19/04/82/345190482.db2.gz JKFMOJWCHNGUNI-JTQLQIEISA-N 1 2 288.376 3.095 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)ccc1OC ZINC000054183970 345130498 /nfs/dbraw/zinc/13/04/98/345130498.db2.gz IFLDCGAHMYLAFL-GFCCVEGCSA-N 1 2 252.745 3.130 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1cccc2ccccc21 ZINC000068408256 345353108 /nfs/dbraw/zinc/35/31/08/345353108.db2.gz WZJNWWQYZDEVGB-CQSZACIVSA-N 1 2 268.360 3.310 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1cccc2ccccc21 ZINC000068408256 345353110 /nfs/dbraw/zinc/35/31/10/345353110.db2.gz WZJNWWQYZDEVGB-CQSZACIVSA-N 1 2 268.360 3.310 20 30 CGEDLO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023854 345491953 /nfs/dbraw/zinc/49/19/53/345491953.db2.gz BSSSIHSMVGMURD-NSHDSACASA-N 1 2 284.812 3.469 20 30 CGEDLO N#CCCCC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023854 345491957 /nfs/dbraw/zinc/49/19/57/345491957.db2.gz BSSSIHSMVGMURD-NSHDSACASA-N 1 2 284.812 3.469 20 30 CGEDLO Cc1cccn2cc(CN(CCC#N)Cc3ccco3)[nH+]c12 ZINC000078666872 345618438 /nfs/dbraw/zinc/61/84/38/345618438.db2.gz JTONONRIZRQXBC-UHFFFAOYSA-N 1 2 294.358 3.152 20 30 CGEDLO CCn1nc(C[N@H+](CC)C[C@@H](C)C#N)c2ccccc21 ZINC000089174618 345766706 /nfs/dbraw/zinc/76/67/06/345766706.db2.gz ZTFLUUYJXRQHCO-ZDUSSCGKSA-N 1 2 270.380 3.038 20 30 CGEDLO CCn1nc(C[N@@H+](CC)C[C@@H](C)C#N)c2ccccc21 ZINC000089174618 345766710 /nfs/dbraw/zinc/76/67/10/345766710.db2.gz ZTFLUUYJXRQHCO-ZDUSSCGKSA-N 1 2 270.380 3.038 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000093872175 345892321 /nfs/dbraw/zinc/89/23/21/345892321.db2.gz OUHXXCBRROXRRV-CVEARBPZSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000093872175 345892324 /nfs/dbraw/zinc/89/23/24/345892324.db2.gz OUHXXCBRROXRRV-CVEARBPZSA-N 1 2 283.400 3.415 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)cc1Br ZINC000125685474 346018325 /nfs/dbraw/zinc/01/83/25/346018325.db2.gz RXONVESMBBPVRM-MRVPVSSYSA-N 1 2 287.588 3.352 20 30 CGEDLO CC(C)(C#N)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000161832932 346176657 /nfs/dbraw/zinc/17/66/57/346176657.db2.gz TUFOCMCCQFBIFD-UHFFFAOYSA-N 1 2 268.364 3.044 20 30 CGEDLO C=CCc1cccc(C(C)C)c1NC(=O)Cc1c[nH+]cn1C ZINC000188072093 346261445 /nfs/dbraw/zinc/26/14/45/346261445.db2.gz OMUGOMFVBNIDLC-UHFFFAOYSA-N 1 2 297.402 3.453 20 30 CGEDLO CCC[N@@H+](Cc1ccc(CC#N)cc1)CC(F)F ZINC000343529466 335207224 /nfs/dbraw/zinc/20/72/24/335207224.db2.gz AAPDHJOQMHKZPP-UHFFFAOYSA-N 1 2 252.308 3.230 20 30 CGEDLO CCC[N@H+](Cc1ccc(CC#N)cc1)CC(F)F ZINC000343529466 335207226 /nfs/dbraw/zinc/20/72/26/335207226.db2.gz AAPDHJOQMHKZPP-UHFFFAOYSA-N 1 2 252.308 3.230 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000397676199 346584110 /nfs/dbraw/zinc/58/41/10/346584110.db2.gz KPMBCRLXVWNNBH-CQSZACIVSA-N 1 2 272.396 3.124 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000397676199 346584114 /nfs/dbraw/zinc/58/41/14/346584114.db2.gz KPMBCRLXVWNNBH-CQSZACIVSA-N 1 2 272.396 3.124 20 30 CGEDLO CC(C)(C)OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000119128691 370648492 /nfs/dbraw/zinc/64/84/92/370648492.db2.gz USDJTWLXPWZKEL-UHFFFAOYSA-N 1 2 290.382 3.477 20 30 CGEDLO Cc1c[nH+]c(CCNc2nc3c(cc2C#N)CCC3)c(C)c1 ZINC000594597433 347198331 /nfs/dbraw/zinc/19/83/31/347198331.db2.gz UCFHGGOPFZIBOR-UHFFFAOYSA-N 1 2 292.386 3.108 20 30 CGEDLO N#Cc1ccc(CNc2c[nH+]cc3c2CCCC3)o1 ZINC000594956896 347239850 /nfs/dbraw/zinc/23/98/50/347239850.db2.gz XBZJJNQXERHHTL-UHFFFAOYSA-N 1 2 253.305 3.037 20 30 CGEDLO CC[N@H+](CCCOc1cc(C)cc(C)c1)[C@@H](C)C#N ZINC000595811909 347358197 /nfs/dbraw/zinc/35/81/97/347358197.db2.gz HRJCYKJABZBLIL-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO CC[N@@H+](CCCOc1cc(C)cc(C)c1)[C@@H](C)C#N ZINC000595811909 347358200 /nfs/dbraw/zinc/35/82/00/347358200.db2.gz HRJCYKJABZBLIL-HNNXBMFYSA-N 1 2 260.381 3.306 20 30 CGEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611870 347326426 /nfs/dbraw/zinc/32/64/26/347326426.db2.gz ODAINCGERIBFAB-VXGBXAGGSA-N 1 2 276.384 3.054 20 30 CGEDLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611870 347326427 /nfs/dbraw/zinc/32/64/27/347326427.db2.gz ODAINCGERIBFAB-VXGBXAGGSA-N 1 2 276.384 3.054 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000595615060 347327432 /nfs/dbraw/zinc/32/74/32/347327432.db2.gz OQEXYBXMJKYXET-AWEZNQCLSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000595615060 347327438 /nfs/dbraw/zinc/32/74/38/347327438.db2.gz OQEXYBXMJKYXET-AWEZNQCLSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000595623344 347329390 /nfs/dbraw/zinc/32/93/90/347329390.db2.gz NNZOKUDKNYGQOQ-CQSZACIVSA-N 1 2 298.365 3.137 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000595623344 347329393 /nfs/dbraw/zinc/32/93/93/347329393.db2.gz NNZOKUDKNYGQOQ-CQSZACIVSA-N 1 2 298.365 3.137 20 30 CGEDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000595625395 347329528 /nfs/dbraw/zinc/32/95/28/347329528.db2.gz MGSUHXOCTPZODK-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000595625395 347329530 /nfs/dbraw/zinc/32/95/30/347329530.db2.gz MGSUHXOCTPZODK-MRXNPFEDSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623231 347329549 /nfs/dbraw/zinc/32/95/49/347329549.db2.gz KIBRYURIJZOFBA-UONOGXRCSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623231 347329554 /nfs/dbraw/zinc/32/95/54/347329554.db2.gz KIBRYURIJZOFBA-UONOGXRCSA-N 1 2 296.374 3.423 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000595815716 347359321 /nfs/dbraw/zinc/35/93/21/347359321.db2.gz RCPWXFCYZQMUPR-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000595815716 347359323 /nfs/dbraw/zinc/35/93/23/347359323.db2.gz RCPWXFCYZQMUPR-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C(=O)OCC)n1)C(C)(C)C ZINC000595763222 347352429 /nfs/dbraw/zinc/35/24/29/347352429.db2.gz LDIIVOIKYSZLDM-UHFFFAOYSA-N 1 2 282.409 3.106 20 30 CGEDLO C=CC[N@H+](Cc1csc(C(=O)OCC)n1)C(C)(C)C ZINC000595763222 347352432 /nfs/dbraw/zinc/35/24/32/347352432.db2.gz LDIIVOIKYSZLDM-UHFFFAOYSA-N 1 2 282.409 3.106 20 30 CGEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595454930 347306022 /nfs/dbraw/zinc/30/60/22/347306022.db2.gz LSEZRKQZFWLNEN-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000595454930 347306028 /nfs/dbraw/zinc/30/60/28/347306028.db2.gz LSEZRKQZFWLNEN-ZDUSSCGKSA-N 1 2 267.756 3.062 20 30 CGEDLO CO[C@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)C1CCCC1 ZINC000595467005 347307487 /nfs/dbraw/zinc/30/74/87/347307487.db2.gz VGHCYKKSZGHPBH-HUUCEWRRSA-N 1 2 264.413 3.206 20 30 CGEDLO CO[C@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)C1CCCC1 ZINC000595467005 347307490 /nfs/dbraw/zinc/30/74/90/347307490.db2.gz VGHCYKKSZGHPBH-HUUCEWRRSA-N 1 2 264.413 3.206 20 30 CGEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838340 347364734 /nfs/dbraw/zinc/36/47/34/347364734.db2.gz ALOGJQFIZZLKQO-QMTHXVAHSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838340 347364736 /nfs/dbraw/zinc/36/47/36/347364736.db2.gz ALOGJQFIZZLKQO-QMTHXVAHSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 ZINC000595890903 347371115 /nfs/dbraw/zinc/37/11/15/347371115.db2.gz NUSFBJIRTFOWTL-RISCZKNCSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 ZINC000595890903 347371116 /nfs/dbraw/zinc/37/11/16/347371116.db2.gz NUSFBJIRTFOWTL-RISCZKNCSA-N 1 2 298.308 3.100 20 30 CGEDLO Cc1cc(N2CCC[C@H]2C)c(C#N)c(N2CCC[C@H]2C)[nH+]1 ZINC000596145884 347389653 /nfs/dbraw/zinc/38/96/53/347389653.db2.gz ZEICQKOPCKQOGM-ZIAGYGMSSA-N 1 2 284.407 3.239 20 30 CGEDLO COc1cc[nH+]cc1CSCCc1ccc(C#N)cc1 ZINC000596361757 347433720 /nfs/dbraw/zinc/43/37/20/347433720.db2.gz CHBCZZHRAXURFK-UHFFFAOYSA-N 1 2 284.384 3.438 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000597079723 347533742 /nfs/dbraw/zinc/53/37/42/347533742.db2.gz GIUIZKIMZBMNIW-OAHLLOKOSA-N 1 2 271.389 3.422 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000597079723 347533746 /nfs/dbraw/zinc/53/37/46/347533746.db2.gz GIUIZKIMZBMNIW-OAHLLOKOSA-N 1 2 271.389 3.422 20 30 CGEDLO Cc1cccc2[nH]c(C[N@@H+](C)CC(C)(C)C#N)cc21 ZINC000597136109 347538976 /nfs/dbraw/zinc/53/89/76/347538976.db2.gz RKLPSFJAUIJQOS-UHFFFAOYSA-N 1 2 255.365 3.458 20 30 CGEDLO Cc1cccc2[nH]c(C[N@H+](C)CC(C)(C)C#N)cc21 ZINC000597136109 347538980 /nfs/dbraw/zinc/53/89/80/347538980.db2.gz RKLPSFJAUIJQOS-UHFFFAOYSA-N 1 2 255.365 3.458 20 30 CGEDLO C[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232294 347559572 /nfs/dbraw/zinc/55/95/72/347559572.db2.gz SIBFUYNXOVXJGT-XHDPSFHLSA-N 1 2 264.319 3.304 20 30 CGEDLO C[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232294 347559574 /nfs/dbraw/zinc/55/95/74/347559574.db2.gz SIBFUYNXOVXJGT-XHDPSFHLSA-N 1 2 264.319 3.304 20 30 CGEDLO COc1ccc(-c2nc(C[NH+]3CC(CC#N)C3)cs2)cc1 ZINC000597192901 347547946 /nfs/dbraw/zinc/54/79/46/347547946.db2.gz AFCVWTVKMIDEOE-UHFFFAOYSA-N 1 2 299.399 3.164 20 30 CGEDLO CCCc1[nH+]c2ccccc2n1C[C@H](O)CC(C)(C)C#N ZINC000598703121 347680533 /nfs/dbraw/zinc/68/05/33/347680533.db2.gz CMMFBMFKPRVQON-CYBMUJFWSA-N 1 2 285.391 3.290 20 30 CGEDLO CC(C)([NH2+]Cc1noc(C2CCC2)n1)c1cccc(C#N)c1 ZINC000599460978 347746922 /nfs/dbraw/zinc/74/69/22/347746922.db2.gz BNRJMVBQTZWJCL-UHFFFAOYSA-N 1 2 296.374 3.234 20 30 CGEDLO CC(C)c1nc2[nH]ccc2c(NCCCCC#N)[nH+]1 ZINC000601114515 347870825 /nfs/dbraw/zinc/87/08/25/347870825.db2.gz QBTUHDWBKKVFNE-UHFFFAOYSA-N 1 2 257.341 3.139 20 30 CGEDLO CN(c1nc2ccccc2n2c[nH+]cc12)[C@H]1CCC[C@@H]1C#N ZINC000601233567 347883555 /nfs/dbraw/zinc/88/35/55/347883555.db2.gz MUVXRHONXGCGIA-OCCSQVGLSA-N 1 2 291.358 3.011 20 30 CGEDLO CCc1cnc(C[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000602013205 347932451 /nfs/dbraw/zinc/93/24/51/347932451.db2.gz XCQOSGIPMJMGMG-UHFFFAOYSA-N 1 2 275.352 3.006 20 30 CGEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCSCC1 ZINC000602431323 347957256 /nfs/dbraw/zinc/95/72/56/347957256.db2.gz AITJPBGCEKRHML-UHFFFAOYSA-N 1 2 264.394 3.138 20 30 CGEDLO N#CCC[N@H+](Cc1ccco1)CC1CCSCC1 ZINC000602431323 347957257 /nfs/dbraw/zinc/95/72/57/347957257.db2.gz AITJPBGCEKRHML-UHFFFAOYSA-N 1 2 264.394 3.138 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602437734 347957993 /nfs/dbraw/zinc/95/79/93/347957993.db2.gz KJCUZQACINFPOM-UHFFFAOYSA-N 1 2 275.302 3.249 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC000602437734 347957994 /nfs/dbraw/zinc/95/79/94/347957994.db2.gz KJCUZQACINFPOM-UHFFFAOYSA-N 1 2 275.302 3.249 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602783523 348027943 /nfs/dbraw/zinc/02/79/43/348027943.db2.gz PUAZPUMZOGVWBV-MRXNPFEDSA-N 1 2 270.376 3.062 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602783523 348027945 /nfs/dbraw/zinc/02/79/45/348027945.db2.gz PUAZPUMZOGVWBV-MRXNPFEDSA-N 1 2 270.376 3.062 20 30 CGEDLO C[N@H+](Cc1nc2c(s1)CCCC2)CC1(CC#N)CC1 ZINC000602784955 348028275 /nfs/dbraw/zinc/02/82/75/348028275.db2.gz UQVKJWDHNPLRAJ-UHFFFAOYSA-N 1 2 275.421 3.148 20 30 CGEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)CC1(CC#N)CC1 ZINC000602784955 348028280 /nfs/dbraw/zinc/02/82/80/348028280.db2.gz UQVKJWDHNPLRAJ-UHFFFAOYSA-N 1 2 275.421 3.148 20 30 CGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000602861777 348037247 /nfs/dbraw/zinc/03/72/47/348037247.db2.gz JCNJVKQDNMRWEV-STQMWFEESA-N 1 2 287.407 3.203 20 30 CGEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nccs2)CC1 ZINC000602895463 348040998 /nfs/dbraw/zinc/04/09/98/348040998.db2.gz NZKVTXJKTCJZEF-UHFFFAOYSA-N 1 2 298.415 3.091 20 30 CGEDLO C[N@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCC[C@@H]1C#N ZINC000602978585 348049562 /nfs/dbraw/zinc/04/95/62/348049562.db2.gz SOCBJWQMLLRXEG-MFKMUULPSA-N 1 2 273.311 3.091 20 30 CGEDLO C[N@@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCC[C@@H]1C#N ZINC000602978585 348049564 /nfs/dbraw/zinc/04/95/64/348049564.db2.gz SOCBJWQMLLRXEG-MFKMUULPSA-N 1 2 273.311 3.091 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602980273 348050382 /nfs/dbraw/zinc/05/03/82/348050382.db2.gz OBSGWEIDMCSBRA-XHDPSFHLSA-N 1 2 278.783 3.473 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602980273 348050384 /nfs/dbraw/zinc/05/03/84/348050384.db2.gz OBSGWEIDMCSBRA-XHDPSFHLSA-N 1 2 278.783 3.473 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(F)F ZINC000603430105 348082840 /nfs/dbraw/zinc/08/28/40/348082840.db2.gz SHWFYOVPWYQNCX-JTQLQIEISA-N 1 2 252.308 3.231 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000609486216 348345316 /nfs/dbraw/zinc/34/53/16/348345316.db2.gz GAQUWQWSLJMTCI-INIZCTEOSA-N 1 2 291.826 3.006 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1cccc(C#N)c1 ZINC000611388730 348443854 /nfs/dbraw/zinc/44/38/54/348443854.db2.gz SCTPXTSOFLJYPD-LLVKDONJSA-N 1 2 284.363 3.090 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1nc(C#N)ccc1C ZINC000611398892 348446944 /nfs/dbraw/zinc/44/69/44/348446944.db2.gz AWSKRCMTYCHCJC-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO N#CC1(C[N@@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000611430145 348451376 /nfs/dbraw/zinc/45/13/76/348451376.db2.gz ANZNGDMWYPYYJS-AWEZNQCLSA-N 1 2 258.390 3.080 20 30 CGEDLO N#CC1(C[N@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000611430145 348451381 /nfs/dbraw/zinc/45/13/81/348451381.db2.gz ANZNGDMWYPYYJS-AWEZNQCLSA-N 1 2 258.390 3.080 20 30 CGEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1F ZINC000611501998 348456526 /nfs/dbraw/zinc/45/65/26/348456526.db2.gz LMILJSXQZYCDPZ-MFKMUULPSA-N 1 2 298.308 3.340 20 30 CGEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1F ZINC000611501998 348456528 /nfs/dbraw/zinc/45/65/28/348456528.db2.gz LMILJSXQZYCDPZ-MFKMUULPSA-N 1 2 298.308 3.340 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611519692 348458239 /nfs/dbraw/zinc/45/82/39/348458239.db2.gz KQCQIXRQWZUVTO-QWRGUYRKSA-N 1 2 254.337 3.002 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@](C)(C#N)C3)cnc21 ZINC000612164716 348499271 /nfs/dbraw/zinc/49/92/71/348499271.db2.gz FZEZZGXSUUEEEF-QGZVFWFLSA-N 1 2 297.406 3.138 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+]3CCC[C@](C)(C#N)C3)cnc21 ZINC000612164716 348499273 /nfs/dbraw/zinc/49/92/73/348499273.db2.gz FZEZZGXSUUEEEF-QGZVFWFLSA-N 1 2 297.406 3.138 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000612167105 348499340 /nfs/dbraw/zinc/49/93/40/348499340.db2.gz UQKLTWSBJKELBZ-OAHLLOKOSA-N 1 2 278.783 3.344 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000612167105 348499342 /nfs/dbraw/zinc/49/93/42/348499342.db2.gz UQKLTWSBJKELBZ-OAHLLOKOSA-N 1 2 278.783 3.344 20 30 CGEDLO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612405559 348516712 /nfs/dbraw/zinc/51/67/12/348516712.db2.gz ACDFJXKIKIIARO-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO CCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OC ZINC000612405559 348516713 /nfs/dbraw/zinc/51/67/13/348516713.db2.gz ACDFJXKIKIIARO-KRWDZBQOSA-N 1 2 288.391 3.220 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406823 348517622 /nfs/dbraw/zinc/51/76/22/348517622.db2.gz VAFVPLRNKSGSKV-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406823 348517623 /nfs/dbraw/zinc/51/76/23/348517623.db2.gz VAFVPLRNKSGSKV-KRWDZBQOSA-N 1 2 270.376 3.377 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2nc3c(s2)CCCC3)c1 ZINC000613443484 348604476 /nfs/dbraw/zinc/60/44/76/348604476.db2.gz LQALNEKZELBGJI-UHFFFAOYSA-N 1 2 284.388 3.095 20 30 CGEDLO CC(C)(C)OCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000618316875 349068745 /nfs/dbraw/zinc/06/87/45/349068745.db2.gz VQOSKIJOIMYJTG-ZDUSSCGKSA-N 1 2 252.402 3.206 20 30 CGEDLO CC(C)(C)OCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000618316875 349068746 /nfs/dbraw/zinc/06/87/46/349068746.db2.gz VQOSKIJOIMYJTG-ZDUSSCGKSA-N 1 2 252.402 3.206 20 30 CGEDLO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000618608121 349121566 /nfs/dbraw/zinc/12/15/66/349121566.db2.gz HREGRNSUDHPPKF-OFQRWUPVSA-N 1 2 275.392 3.481 20 30 CGEDLO C=CCC(CC=C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014814 349193950 /nfs/dbraw/zinc/19/39/50/349193950.db2.gz UMIXRJZXYHTYRY-UHFFFAOYSA-N 1 2 269.348 3.350 20 30 CGEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000619808834 349286141 /nfs/dbraw/zinc/28/61/41/349286141.db2.gz DVGVAPNMHJGOBX-CYBMUJFWSA-N 1 2 297.855 3.067 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1C)c1ccccc1 ZINC000620606707 349392253 /nfs/dbraw/zinc/39/22/53/349392253.db2.gz ZCKDCLMJEYLALV-GOEBONIOSA-N 1 2 297.402 3.347 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000625699638 350197135 /nfs/dbraw/zinc/19/71/35/350197135.db2.gz BPPQOUWFPCHLOG-OAHLLOKOSA-N 1 2 297.402 3.367 20 30 CGEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(Cc3ccccc3C)n2)C1 ZINC000625699638 350197138 /nfs/dbraw/zinc/19/71/38/350197138.db2.gz BPPQOUWFPCHLOG-OAHLLOKOSA-N 1 2 297.402 3.367 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000626354780 350298046 /nfs/dbraw/zinc/29/80/46/350298046.db2.gz AJNXTRUZHOMYIR-ZDUSSCGKSA-N 1 2 284.363 3.073 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523860 351317218 /nfs/dbraw/zinc/31/72/18/351317218.db2.gz QGJVGPRTMUVZTG-ZDUSSCGKSA-N 1 2 283.375 3.295 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000633288243 351275551 /nfs/dbraw/zinc/27/55/51/351275551.db2.gz KYWQOKNZRHNOTD-CHWSQXEVSA-N 1 2 290.411 3.181 20 30 CGEDLO C=CCC(C)(C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635959455 351706320 /nfs/dbraw/zinc/70/63/20/351706320.db2.gz HQJZVEJKIOWLRY-AWEZNQCLSA-N 1 2 277.412 3.189 20 30 CGEDLO Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1C ZINC000123391949 187088656 /nfs/dbraw/zinc/08/86/56/187088656.db2.gz ZHZBSEGVKDDABA-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093478397 138346962 /nfs/dbraw/zinc/34/69/62/138346962.db2.gz OGGKGLCMRBVPNE-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093478397 138346964 /nfs/dbraw/zinc/34/69/64/138346964.db2.gz OGGKGLCMRBVPNE-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000111200990 138363939 /nfs/dbraw/zinc/36/39/39/138363939.db2.gz PFBHHQJVWTVOEA-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000111200990 138363940 /nfs/dbraw/zinc/36/39/40/138363940.db2.gz PFBHHQJVWTVOEA-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO Cc1cc(N2CCC[C@H](c3nccs3)C2)c(C#N)c[nH+]1 ZINC000425232152 236222240 /nfs/dbraw/zinc/22/22/40/236222240.db2.gz WGHQMRISHQEKQQ-LBPRGKRZSA-N 1 2 284.388 3.102 20 30 CGEDLO Cc1cc(C)c2ncc(C#N)c(N(C)Cc3[nH]cc[nH+]3)c2c1 ZINC000428112695 236368034 /nfs/dbraw/zinc/36/80/34/236368034.db2.gz AEKCWDJIUJBMKL-UHFFFAOYSA-N 1 2 291.358 3.083 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000451812560 240363140 /nfs/dbraw/zinc/36/31/40/240363140.db2.gz HKDNCIOAOCXTBJ-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000451812560 240363145 /nfs/dbraw/zinc/36/31/45/240363145.db2.gz HKDNCIOAOCXTBJ-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1cccnc1Nc1ccc([NH2+]C2CCOCC2)cc1 ZINC000301561178 201068455 /nfs/dbraw/zinc/06/84/55/201068455.db2.gz UKGIGYBZNJSJTP-UHFFFAOYSA-N 1 2 294.358 3.288 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNc1c(F)cc(C#N)cc1F ZINC000301738373 201168405 /nfs/dbraw/zinc/16/84/05/201168405.db2.gz CPZJZXMWERNEDD-UHFFFAOYSA-N 1 2 290.317 3.301 20 30 CGEDLO Cc1cc(Nc2cccc(C#N)n2)ccc1[NH+](C)C ZINC000301847793 201230446 /nfs/dbraw/zinc/23/04/46/201230446.db2.gz NRJSOZLUUMVFRF-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccn1 ZINC000119810812 370711470 /nfs/dbraw/zinc/71/14/70/370711470.db2.gz QQXRLVDCSUPMAD-UHFFFAOYSA-N 1 2 290.370 3.228 20 30 CGEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccn1 ZINC000119810812 370711475 /nfs/dbraw/zinc/71/14/75/370711475.db2.gz QQXRLVDCSUPMAD-UHFFFAOYSA-N 1 2 290.370 3.228 20 30 CGEDLO C#CCC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275681110 193103575 /nfs/dbraw/zinc/10/35/75/193103575.db2.gz ZZYXSLWWRYCUPE-IUODEOHRSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000275681110 193103576 /nfs/dbraw/zinc/10/35/76/193103576.db2.gz ZZYXSLWWRYCUPE-IUODEOHRSA-N 1 2 263.768 3.125 20 30 CGEDLO N#Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000037212051 369075055 /nfs/dbraw/zinc/07/50/55/369075055.db2.gz OOLCDARCZCAJRK-UHFFFAOYSA-N 1 2 278.359 3.034 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1cccc(Br)c1 ZINC000042451102 369223053 /nfs/dbraw/zinc/22/30/53/369223053.db2.gz WTNAZQVQRHLFPJ-UHFFFAOYSA-N 1 2 297.196 3.063 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1cccc(Br)c1 ZINC000042451102 369223058 /nfs/dbraw/zinc/22/30/58/369223058.db2.gz WTNAZQVQRHLFPJ-UHFFFAOYSA-N 1 2 297.196 3.063 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C)cccc1CC ZINC000046438325 369293779 /nfs/dbraw/zinc/29/37/79/369293779.db2.gz KXMKVWDVNVEXAT-UHFFFAOYSA-N 1 2 272.392 3.170 20 30 CGEDLO CCCOc1ccc(C[N@H+](CC)CCC#N)cc1OC ZINC000127652143 370954885 /nfs/dbraw/zinc/95/48/85/370954885.db2.gz OOLPQDMQCQDWAX-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCCOc1ccc(C[N@@H+](CC)CCC#N)cc1OC ZINC000127652143 370954893 /nfs/dbraw/zinc/95/48/93/370954893.db2.gz OOLPQDMQCQDWAX-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO C=CCNC(=O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000059421205 369580574 /nfs/dbraw/zinc/58/05/74/369580574.db2.gz AQQHCAGXDKDXIX-GFCCVEGCSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCNC(=O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000059421205 369580581 /nfs/dbraw/zinc/58/05/81/369580581.db2.gz AQQHCAGXDKDXIX-GFCCVEGCSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](CC)C[C@@H](C)C#N ZINC000091983136 370085223 /nfs/dbraw/zinc/08/52/23/370085223.db2.gz IEHHQGTYJKQMJZ-AWEZNQCLSA-N 1 2 258.365 3.233 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000091983136 370085226 /nfs/dbraw/zinc/08/52/26/370085226.db2.gz IEHHQGTYJKQMJZ-AWEZNQCLSA-N 1 2 258.365 3.233 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cccc(CC#N)c2)c(C)[nH+]1 ZINC000097366465 370239971 /nfs/dbraw/zinc/23/99/71/370239971.db2.gz LVNMRUJBEBSYFZ-UHFFFAOYSA-N 1 2 279.343 3.325 20 30 CGEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000118413423 370615649 /nfs/dbraw/zinc/61/56/49/370615649.db2.gz HCSZQXQNGWQZJY-MNOVXSKESA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000118413423 370615651 /nfs/dbraw/zinc/61/56/51/370615651.db2.gz HCSZQXQNGWQZJY-MNOVXSKESA-N 1 2 264.369 3.023 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCCCc2cccc(C)[nH+]2)n1 ZINC000286550941 371516879 /nfs/dbraw/zinc/51/68/79/371516879.db2.gz JRPQMUKFEHNPOA-UHFFFAOYSA-N 1 2 280.375 3.318 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153239083 371759245 /nfs/dbraw/zinc/75/92/45/371759245.db2.gz GVNIELQMPATWJA-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153239083 371759251 /nfs/dbraw/zinc/75/92/51/371759251.db2.gz GVNIELQMPATWJA-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc(C#N)c(C)n1 ZINC000291964911 372178764 /nfs/dbraw/zinc/17/87/64/372178764.db2.gz OLACSAIZBMGHDK-HNNXBMFYSA-N 1 2 295.390 3.210 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000161006009 372294442 /nfs/dbraw/zinc/29/44/42/372294442.db2.gz HSRFNEIYIKOYLK-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000161006009 372294449 /nfs/dbraw/zinc/29/44/49/372294449.db2.gz HSRFNEIYIKOYLK-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCSCc1ccccc1 ZINC000428865276 372273353 /nfs/dbraw/zinc/27/33/53/372273353.db2.gz WCTIWDUAESYUCM-UHFFFAOYSA-N 1 2 260.406 3.321 20 30 CGEDLO C=CC[N@H+](CCC#N)CCSCc1ccccc1 ZINC000428865276 372273357 /nfs/dbraw/zinc/27/33/57/372273357.db2.gz WCTIWDUAESYUCM-UHFFFAOYSA-N 1 2 260.406 3.321 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc2O1 ZINC000429116319 372315350 /nfs/dbraw/zinc/31/53/50/372315350.db2.gz MLFFBMIKEXEDIN-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc2O1 ZINC000429116319 372315357 /nfs/dbraw/zinc/31/53/57/372315357.db2.gz MLFFBMIKEXEDIN-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO N#C[C@@H]1C[N@H+](C/C=C\c2ccncc2)C[C@H]1c1ccccc1 ZINC000430127541 372385242 /nfs/dbraw/zinc/38/52/42/372385242.db2.gz RQTCBWAASPBKKU-LSLCWXNRSA-N 1 2 289.382 3.334 20 30 CGEDLO N#C[C@@H]1C[N@@H+](C/C=C\c2ccncc2)C[C@H]1c1ccccc1 ZINC000430127541 372385247 /nfs/dbraw/zinc/38/52/47/372385247.db2.gz RQTCBWAASPBKKU-LSLCWXNRSA-N 1 2 289.382 3.334 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C(C)C)s1 ZINC000295057775 372691043 /nfs/dbraw/zinc/69/10/43/372691043.db2.gz VCZOUCKYIRPLNN-UHFFFAOYSA-N 1 2 291.420 3.485 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C(C)C)s1 ZINC000295057775 372691051 /nfs/dbraw/zinc/69/10/51/372691051.db2.gz VCZOUCKYIRPLNN-UHFFFAOYSA-N 1 2 291.420 3.485 20 30 CGEDLO C=CC[N@H+](Cc1conc1C)Cc1ccc(OC)cc1 ZINC000295457954 372789942 /nfs/dbraw/zinc/78/99/42/372789942.db2.gz VQYFZVSOVJMLLQ-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO C=CC[N@@H+](Cc1conc1C)Cc1ccc(OC)cc1 ZINC000295457954 372789950 /nfs/dbraw/zinc/78/99/50/372789950.db2.gz VQYFZVSOVJMLLQ-UHFFFAOYSA-N 1 2 272.348 3.180 20 30 CGEDLO N#Cc1cccc(OC2CC[NH+](Cc3cscn3)CC2)c1 ZINC000171609740 372795126 /nfs/dbraw/zinc/79/51/26/372795126.db2.gz DVPJLJOGTJEKSL-UHFFFAOYSA-N 1 2 299.399 3.058 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000172466091 372969165 /nfs/dbraw/zinc/96/91/65/372969165.db2.gz YTIFHEAKQHSWBK-UHFFFAOYSA-N 1 2 271.364 3.153 20 30 CGEDLO N#Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1F ZINC000172901451 373058199 /nfs/dbraw/zinc/05/81/99/373058199.db2.gz UAFKUFYGBPNBCI-UHFFFAOYSA-N 1 2 298.243 3.068 20 30 CGEDLO CC(C)(C#N)CCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000444672181 373229338 /nfs/dbraw/zinc/22/93/38/373229338.db2.gz FQJHKKXTGVGHCF-UHFFFAOYSA-N 1 2 299.418 3.055 20 30 CGEDLO CC(C)(C#N)CCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000444672181 373229342 /nfs/dbraw/zinc/22/93/42/373229342.db2.gz FQJHKKXTGVGHCF-UHFFFAOYSA-N 1 2 299.418 3.055 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000298049456 373289680 /nfs/dbraw/zinc/28/96/80/373289680.db2.gz DYZOZFQROJDBMT-NSHDSACASA-N 1 2 277.318 3.448 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000298049456 373289686 /nfs/dbraw/zinc/28/96/86/373289686.db2.gz DYZOZFQROJDBMT-NSHDSACASA-N 1 2 277.318 3.448 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccco1 ZINC000174328840 373292815 /nfs/dbraw/zinc/29/28/15/373292815.db2.gz HLOVTXAKOIZBHM-OAHLLOKOSA-N 1 2 288.347 3.248 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)[C@H](C)O1 ZINC000446076926 373319374 /nfs/dbraw/zinc/31/93/74/373319374.db2.gz INKGHXOFDRFOPG-RDBSUJKOSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)[C@H](C)O1 ZINC000446076926 373319382 /nfs/dbraw/zinc/31/93/82/373319382.db2.gz INKGHXOFDRFOPG-RDBSUJKOSA-N 1 2 277.795 3.189 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)c(F)c1 ZINC000345023046 217386204 /nfs/dbraw/zinc/38/62/04/217386204.db2.gz XGJXDLFFDYZQEV-UHFFFAOYSA-N 1 2 287.363 3.321 20 30 CGEDLO CCS[C@H]1CCC[C@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000176413863 373593428 /nfs/dbraw/zinc/59/34/28/373593428.db2.gz HHVXMZXHDLHWQU-STQKSKDHSA-N 1 2 295.404 3.287 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177365437 373679556 /nfs/dbraw/zinc/67/95/56/373679556.db2.gz PPRFAJCXMSZFID-GFCCVEGCSA-N 1 2 291.420 3.194 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177365437 373679562 /nfs/dbraw/zinc/67/95/62/373679562.db2.gz PPRFAJCXMSZFID-GFCCVEGCSA-N 1 2 291.420 3.194 20 30 CGEDLO CC(C)(C)c1nc(NCCOc2ccc(C#N)cc2)cc[nH+]1 ZINC000301604539 373789465 /nfs/dbraw/zinc/78/94/65/373789465.db2.gz XQVXMTRLKPAWGW-UHFFFAOYSA-N 1 2 296.374 3.137 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000179794489 373919478 /nfs/dbraw/zinc/91/94/78/373919478.db2.gz IEDCLNSAHLWOFR-AWEZNQCLSA-N 1 2 283.375 3.347 20 30 CGEDLO N#CC1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCC1 ZINC000450508409 374156679 /nfs/dbraw/zinc/15/66/79/374156679.db2.gz ZLZPOQAJUHYYRS-KRWDZBQOSA-N 1 2 277.371 3.454 20 30 CGEDLO COc1cccc(/C=[NH+]/C[C@@H](C)c2nccs2)c1O ZINC000182169025 374229155 /nfs/dbraw/zinc/22/91/55/374229155.db2.gz PHPUOLQQLUAXKT-KXUVPBGPSA-N 1 2 276.361 3.080 20 30 CGEDLO CC1CCN(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000328604014 374370965 /nfs/dbraw/zinc/37/09/65/374370965.db2.gz IHCWNHMGBMOIRE-UHFFFAOYSA-N 1 2 298.390 3.223 20 30 CGEDLO C[C@H]1C[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC1=O ZINC000328946438 374396429 /nfs/dbraw/zinc/39/64/29/374396429.db2.gz VKHHRUCXVCGMEE-STQMWFEESA-N 1 2 297.358 3.466 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CSc2ccccc21 ZINC000328986115 374398459 /nfs/dbraw/zinc/39/84/59/374398459.db2.gz ZWJFLODSFAUKJB-PWSUYJOCSA-N 1 2 299.399 3.113 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CSc2ccccc21 ZINC000328986115 374398461 /nfs/dbraw/zinc/39/84/61/374398461.db2.gz ZWJFLODSFAUKJB-PWSUYJOCSA-N 1 2 299.399 3.113 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)[C@]2(C)CCOC2)c1 ZINC000329370939 374407091 /nfs/dbraw/zinc/40/70/91/374407091.db2.gz AVJKEYSAPQSQCS-MRXNPFEDSA-N 1 2 285.347 3.102 20 30 CGEDLO Cc1ccc(CSc2nnc(C)c(C)c2C#N)c(C)[nH+]1 ZINC000186576753 374881453 /nfs/dbraw/zinc/88/14/53/374881453.db2.gz BULBZDWKZPGSKU-UHFFFAOYSA-N 1 2 284.388 3.269 20 30 CGEDLO Cc1cc(N)nc(SCc2ccc(Cl)cc2C#N)[nH+]1 ZINC000186448857 374854083 /nfs/dbraw/zinc/85/40/83/374854083.db2.gz OKKBCSMCEBWHNA-UHFFFAOYSA-N 1 2 290.779 3.185 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000334666338 374953065 /nfs/dbraw/zinc/95/30/65/374953065.db2.gz HLMRNUQXFFNLFV-CQSZACIVSA-N 1 2 262.303 3.405 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000334666338 374953069 /nfs/dbraw/zinc/95/30/69/374953069.db2.gz HLMRNUQXFFNLFV-CQSZACIVSA-N 1 2 262.303 3.405 20 30 CGEDLO C=CCCCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000472680612 375032332 /nfs/dbraw/zinc/03/23/32/375032332.db2.gz WXWGJEKWELSQSC-UHFFFAOYSA-N 1 2 282.391 3.291 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cscn1 ZINC000187661968 375065058 /nfs/dbraw/zinc/06/50/58/375065058.db2.gz FSINIFJJBCAMSQ-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cscn1 ZINC000187661968 375065063 /nfs/dbraw/zinc/06/50/63/375065063.db2.gz FSINIFJJBCAMSQ-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000491287795 375325937 /nfs/dbraw/zinc/32/59/37/375325937.db2.gz OERPYAFNZITVOV-CYBMUJFWSA-N 1 2 270.401 3.187 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000491287795 375325943 /nfs/dbraw/zinc/32/59/43/375325943.db2.gz OERPYAFNZITVOV-CYBMUJFWSA-N 1 2 270.401 3.187 20 30 CGEDLO C#C[C@@H](NCc1[nH+]ccn1CC)c1ccc(Cl)cc1F ZINC000491306059 375326233 /nfs/dbraw/zinc/32/62/33/375326233.db2.gz LMXLPURJODMVEX-CQSZACIVSA-N 1 2 291.757 3.160 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1cc(F)ccc1Cl ZINC000191114837 375580084 /nfs/dbraw/zinc/58/00/84/375580084.db2.gz QEGKSRICQOLUQB-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1cc(F)ccc1Cl ZINC000191114837 375580092 /nfs/dbraw/zinc/58/00/92/375580092.db2.gz QEGKSRICQOLUQB-UHFFFAOYSA-N 1 2 257.736 3.114 20 30 CGEDLO CCN(C)c1ccc(CNc2cccc(C#N)c2)c[nH+]1 ZINC000191557039 375640132 /nfs/dbraw/zinc/64/01/32/375640132.db2.gz BLNRPNFJURLOSP-UHFFFAOYSA-N 1 2 266.348 3.021 20 30 CGEDLO Cc1ccc(CSc2ccc(C#N)cn2)c(C)[nH+]1 ZINC000336083541 375672164 /nfs/dbraw/zinc/67/21/64/375672164.db2.gz BHXIPGABVFRIGP-UHFFFAOYSA-N 1 2 255.346 3.257 20 30 CGEDLO Cc1ccc2sc(C[NH+]3CCC(C#N)CC3)nc2c1 ZINC000528367138 375898777 /nfs/dbraw/zinc/89/87/77/375898777.db2.gz WKQSDIRJBXUYTC-UHFFFAOYSA-N 1 2 271.389 3.340 20 30 CGEDLO CC[N@@H+](Cc1cccnc1C(F)(F)F)C[C@@H](C)C#N ZINC000528369243 375899300 /nfs/dbraw/zinc/89/93/00/375899300.db2.gz ZJBHCOBSGDYWEF-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1cccnc1C(F)(F)F)C[C@@H](C)C#N ZINC000528369243 375899309 /nfs/dbraw/zinc/89/93/09/375899309.db2.gz ZJBHCOBSGDYWEF-JTQLQIEISA-N 1 2 271.286 3.082 20 30 CGEDLO Cc1ccc(C[N@@H+](CCC#N)C(C)C)cc1[N+](=O)[O-] ZINC000536646030 376108196 /nfs/dbraw/zinc/10/81/96/376108196.db2.gz NXCXIVQBIAEPBJ-UHFFFAOYSA-N 1 2 261.325 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](CCC#N)C(C)C)cc1[N+](=O)[O-] ZINC000536646030 376108200 /nfs/dbraw/zinc/10/82/00/376108200.db2.gz NXCXIVQBIAEPBJ-UHFFFAOYSA-N 1 2 261.325 3.027 20 30 CGEDLO C[N@H+](CCC(F)(F)F)Cc1cn2ccccc2c1C#N ZINC000338256425 376301091 /nfs/dbraw/zinc/30/10/91/376301091.db2.gz IZAQZUWEGZAWPA-UHFFFAOYSA-N 1 2 281.281 3.195 20 30 CGEDLO C[N@@H+](CCC(F)(F)F)Cc1cn2ccccc2c1C#N ZINC000338256425 376301095 /nfs/dbraw/zinc/30/10/95/376301095.db2.gz IZAQZUWEGZAWPA-UHFFFAOYSA-N 1 2 281.281 3.195 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(F)cc1C#N)CCC2 ZINC000334303952 206340737 /nfs/dbraw/zinc/34/07/37/206340737.db2.gz GEVWXNQMUFNSMT-LBPRGKRZSA-N 1 2 284.338 3.192 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542650704 376565986 /nfs/dbraw/zinc/56/59/86/376565986.db2.gz SKXPBVZDYYITQY-SFHVURJKSA-N 1 2 284.403 3.339 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542650704 376565995 /nfs/dbraw/zinc/56/59/95/376565995.db2.gz SKXPBVZDYYITQY-SFHVURJKSA-N 1 2 284.403 3.339 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339766533 376837644 /nfs/dbraw/zinc/83/76/44/376837644.db2.gz CBYHKLYLQQKIMF-QGZVFWFLSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339766533 376837649 /nfs/dbraw/zinc/83/76/49/376837649.db2.gz CBYHKLYLQQKIMF-QGZVFWFLSA-N 1 2 288.366 3.088 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000556620063 376865807 /nfs/dbraw/zinc/86/58/07/376865807.db2.gz STZVDUNFEJVUMV-HNNXBMFYSA-N 1 2 284.403 3.028 20 30 CGEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000247389946 377201050 /nfs/dbraw/zinc/20/10/50/377201050.db2.gz VRYVFYOKYHJSPU-IIAWOOMASA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)[C@H]1c1ccccc1 ZINC000247389946 377201061 /nfs/dbraw/zinc/20/10/61/377201061.db2.gz VRYVFYOKYHJSPU-IIAWOOMASA-N 1 2 253.349 3.123 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000562517919 377321320 /nfs/dbraw/zinc/32/13/20/377321320.db2.gz ASAOYANYQQODAU-ZDUSSCGKSA-N 1 2 285.416 3.178 20 30 CGEDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341134636 377413607 /nfs/dbraw/zinc/41/36/07/377413607.db2.gz JBFSEQHEJOVZDV-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341134636 377413612 /nfs/dbraw/zinc/41/36/12/377413612.db2.gz JBFSEQHEJOVZDV-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO N#CC1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000565752470 377489204 /nfs/dbraw/zinc/48/92/04/377489204.db2.gz CIWFLYHLZIFTAU-UHFFFAOYSA-N 1 2 287.363 3.343 20 30 CGEDLO Cc1nc(C[NH2+]Cc2cccc(C#N)c2)nc2ccccc12 ZINC000518278406 249278540 /nfs/dbraw/zinc/27/85/40/249278540.db2.gz APXDETCCFBDSOG-UHFFFAOYSA-N 1 2 288.354 3.100 20 30 CGEDLO Cc1ccc(C(=O)NCCCC#N)cc1Oc1cc[nH+]cc1 ZINC000342632865 377700708 /nfs/dbraw/zinc/70/07/08/377700708.db2.gz NEOMZSLBLFFIEP-UHFFFAOYSA-N 1 2 295.342 3.216 20 30 CGEDLO Cc1cccc(CCCNc2nc3c(cc2C#N)CCC3)[nH+]1 ZINC000343228062 377933165 /nfs/dbraw/zinc/93/31/65/377933165.db2.gz XPFYESPWOQDFSZ-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO Cc1cccc(CCCNc2c(C#N)cccc2C#N)[nH+]1 ZINC000343236462 377935626 /nfs/dbraw/zinc/93/56/26/377935626.db2.gz HXCLOINBMCSUJM-UHFFFAOYSA-N 1 2 276.343 3.178 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000343324217 377953210 /nfs/dbraw/zinc/95/32/10/377953210.db2.gz WFFRDFKSLDMUFB-AWEZNQCLSA-N 1 2 286.350 3.024 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000343324217 377953215 /nfs/dbraw/zinc/95/32/15/377953215.db2.gz WFFRDFKSLDMUFB-AWEZNQCLSA-N 1 2 286.350 3.024 20 30 CGEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1F ZINC000343578292 378026841 /nfs/dbraw/zinc/02/68/41/378026841.db2.gz FDWJFMKUXMWEHW-CYBMUJFWSA-N 1 2 250.292 3.309 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2Cl)o1 ZINC000343905242 378129005 /nfs/dbraw/zinc/12/90/05/378129005.db2.gz YEWTZEGMJFZSNX-UHFFFAOYSA-N 1 2 264.687 3.234 20 30 CGEDLO Cc1cc(C[NH2+]CC2(C#N)CC2)c(OC(F)F)cc1C ZINC000582158617 378288956 /nfs/dbraw/zinc/28/89/56/378288956.db2.gz GHMVPYSQWBRCAI-UHFFFAOYSA-N 1 2 280.318 3.298 20 30 CGEDLO Cc1ccc(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000270951902 378417167 /nfs/dbraw/zinc/41/71/67/378417167.db2.gz MEBYLRDZTSTUQZ-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO C#CCCC[NH2+][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000272235777 378593051 /nfs/dbraw/zinc/59/30/51/378593051.db2.gz IQTKYYDUZUGZOF-OAHLLOKOSA-N 1 2 273.376 3.072 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)s1 ZINC000272816349 378709989 /nfs/dbraw/zinc/70/99/89/378709989.db2.gz BMXFNDCPJNRHIN-LBPRGKRZSA-N 1 2 284.384 3.403 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000272816349 378709992 /nfs/dbraw/zinc/70/99/92/378709992.db2.gz BMXFNDCPJNRHIN-LBPRGKRZSA-N 1 2 284.384 3.403 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nccc(C)n1 ZINC000348236549 378855097 /nfs/dbraw/zinc/85/50/97/378855097.db2.gz MXRXGXBIEQTTTD-UHFFFAOYSA-N 1 2 267.376 3.363 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nccc(C)n1 ZINC000348236549 378855104 /nfs/dbraw/zinc/85/51/04/378855104.db2.gz MXRXGXBIEQTTTD-UHFFFAOYSA-N 1 2 267.376 3.363 20 30 CGEDLO CCn1cc[nH+]c1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000371852717 379179354 /nfs/dbraw/zinc/17/93/54/379179354.db2.gz JPFVSBBTBUDVDG-IRXDYDNUSA-N 1 2 294.402 3.175 20 30 CGEDLO C=CC[C@@H]1CC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC1CCCC1 ZINC000639424698 379376305 /nfs/dbraw/zinc/37/63/05/379376305.db2.gz PHGBEDOTNJWWMJ-KDOFPFPSSA-N 1 2 290.451 3.460 20 30 CGEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3ccccc3o2)n1 ZINC000279669673 379486637 /nfs/dbraw/zinc/48/66/37/379486637.db2.gz FAQCSAZQJQZPTP-UHFFFAOYSA-N 1 2 293.370 3.285 20 30 CGEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3ccccc3o2)n1 ZINC000279669673 379486641 /nfs/dbraw/zinc/48/66/41/379486641.db2.gz FAQCSAZQJQZPTP-UHFFFAOYSA-N 1 2 293.370 3.285 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000351816244 379743845 /nfs/dbraw/zinc/74/38/45/379743845.db2.gz YQDMPQRBYRWJRZ-CYBMUJFWSA-N 1 2 287.407 3.383 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000351816244 379743851 /nfs/dbraw/zinc/74/38/51/379743851.db2.gz YQDMPQRBYRWJRZ-CYBMUJFWSA-N 1 2 287.407 3.383 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000280705519 379768656 /nfs/dbraw/zinc/76/86/56/379768656.db2.gz HFUAZEQLDLMQTO-MLGOLLRUSA-N 1 2 269.348 3.023 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000378650731 379854298 /nfs/dbraw/zinc/85/42/98/379854298.db2.gz MUEUOKGFMVUKHV-CQSZACIVSA-N 1 2 286.281 3.060 20 30 CGEDLO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000352823859 379982802 /nfs/dbraw/zinc/98/28/02/379982802.db2.gz OTIKNFMLOLLLTB-CQSZACIVSA-N 1 2 299.399 3.191 20 30 CGEDLO Cc1sc(C[NH2+]Cc2nc(C#N)cs2)nc1C(C)C ZINC000352832184 379989845 /nfs/dbraw/zinc/98/98/45/379989845.db2.gz DRERBWNKEVIJCW-UHFFFAOYSA-N 1 2 292.433 3.193 20 30 CGEDLO Cc1cc(N(Cc2ccc(C#N)cc2)CC(C)C)nc[nH+]1 ZINC000353002421 380070430 /nfs/dbraw/zinc/07/04/30/380070430.db2.gz DSFRTXJKCUXEDZ-UHFFFAOYSA-N 1 2 280.375 3.319 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000411318580 380142900 /nfs/dbraw/zinc/14/29/00/380142900.db2.gz DUIIWHXQBIWLBP-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000411318580 380142906 /nfs/dbraw/zinc/14/29/06/380142906.db2.gz DUIIWHXQBIWLBP-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1c(F)cncc1F ZINC000353205641 380167951 /nfs/dbraw/zinc/16/79/51/380167951.db2.gz VNMDUYNLBITDIF-VIFPVBQESA-N 1 2 291.276 3.221 20 30 CGEDLO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccn(C)n1 ZINC000414108710 380191384 /nfs/dbraw/zinc/19/13/84/380191384.db2.gz UFZJGUDRLUAGQQ-BBRMVZONSA-N 1 2 268.364 3.116 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354018891 380282216 /nfs/dbraw/zinc/28/22/16/380282216.db2.gz SILKZIWSTSATAN-UHFFFAOYSA-N 1 2 258.365 3.233 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](C)CC(C)(C)C#N ZINC000354018891 380282219 /nfs/dbraw/zinc/28/22/19/380282219.db2.gz SILKZIWSTSATAN-UHFFFAOYSA-N 1 2 258.365 3.233 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354026714 380286325 /nfs/dbraw/zinc/28/63/25/380286325.db2.gz XWZMLTYOWYGCMX-LLVKDONJSA-N 1 2 284.363 3.102 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000354026714 380286328 /nfs/dbraw/zinc/28/63/28/380286328.db2.gz XWZMLTYOWYGCMX-LLVKDONJSA-N 1 2 284.363 3.102 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000354026464 380286397 /nfs/dbraw/zinc/28/63/97/380286397.db2.gz UIZIGQCBJZGQLJ-JTQLQIEISA-N 1 2 250.292 3.089 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000354026464 380286400 /nfs/dbraw/zinc/28/64/00/380286400.db2.gz UIZIGQCBJZGQLJ-JTQLQIEISA-N 1 2 250.292 3.089 20 30 CGEDLO C=CC[N@@H+](Cc1cncn1CC)Cc1ccc(OC)cc1 ZINC000417740726 380671801 /nfs/dbraw/zinc/67/18/01/380671801.db2.gz SASOBENJYLGLTI-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO C=CC[N@H+](Cc1cncn1CC)Cc1ccc(OC)cc1 ZINC000417740726 380671804 /nfs/dbraw/zinc/67/18/04/380671804.db2.gz SASOBENJYLGLTI-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO C=CCN(Cc1c[nH+]cn1CC)Cc1ccc(OC)cc1 ZINC000417740726 380671806 /nfs/dbraw/zinc/67/18/06/380671806.db2.gz SASOBENJYLGLTI-UHFFFAOYSA-N 1 2 285.391 3.100 20 30 CGEDLO N#Cc1ccc(Sc2[nH+]cc3ccccn32)cc1[N+](=O)[O-] ZINC000357323854 381105747 /nfs/dbraw/zinc/10/57/47/381105747.db2.gz HIJJGTKTYMLQQP-UHFFFAOYSA-N 1 2 296.311 3.265 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)c([N+](=O)[O-])c3)ccc21 ZINC000357482154 381176408 /nfs/dbraw/zinc/17/64/08/381176408.db2.gz HRDFXQHNEVRFMD-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000358305112 381301799 /nfs/dbraw/zinc/30/17/99/381301799.db2.gz WYRPKEZPNFHAIX-ZDUSSCGKSA-N 1 2 255.321 3.123 20 30 CGEDLO CC[N@@H+](Cc1ccc(Cl)cc1OC)C[C@@H](C)C#N ZINC000361266691 381669114 /nfs/dbraw/zinc/66/91/14/381669114.db2.gz OMSBVWDXOVYMGL-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1ccc(Cl)cc1OC)C[C@@H](C)C#N ZINC000361266691 381669117 /nfs/dbraw/zinc/66/91/17/381669117.db2.gz OMSBVWDXOVYMGL-NSHDSACASA-N 1 2 266.772 3.330 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccccc2)oc1C ZINC000362049519 381882972 /nfs/dbraw/zinc/88/29/72/381882972.db2.gz WQSZCGVPLVVVKG-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccccc2)oc1C ZINC000362049519 381882977 /nfs/dbraw/zinc/88/29/77/381882977.db2.gz WQSZCGVPLVVVKG-UHFFFAOYSA-N 1 2 286.375 3.284 20 30 CGEDLO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1F ZINC000353856099 220369533 /nfs/dbraw/zinc/36/95/33/220369533.db2.gz PEKGAODGIAWSJE-BZNIZROVSA-N 1 2 298.365 3.233 20 30 CGEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCCC[C@@H]3C)ccc2[nH+]1 ZINC000328857290 542445018 /nfs/dbraw/zinc/44/50/18/542445018.db2.gz XTNVEUIJNSTYCX-SMDDNHRTSA-N 1 2 286.379 3.357 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000329494777 542446672 /nfs/dbraw/zinc/44/66/72/542446672.db2.gz DFSGJEZOKDZILA-UKRRQHHQSA-N 1 2 293.411 3.071 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000281479573 195256547 /nfs/dbraw/zinc/25/65/47/195256547.db2.gz SFYSHVZDIFKTSW-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000281479573 195256548 /nfs/dbraw/zinc/25/65/48/195256548.db2.gz SFYSHVZDIFKTSW-HNNXBMFYSA-N 1 2 278.783 3.213 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccco1 ZINC000285900105 392345902 /nfs/dbraw/zinc/34/59/02/392345902.db2.gz BIHZZKQKKUBZMG-CYBMUJFWSA-N 1 2 286.379 3.005 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1Br ZINC000289741439 392431298 /nfs/dbraw/zinc/43/12/98/392431298.db2.gz PJDVJANVAMKQRI-LLVKDONJSA-N 1 2 297.196 3.240 20 30 CGEDLO C=CCCCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372395268 392605259 /nfs/dbraw/zinc/60/52/59/392605259.db2.gz XFBKDCOORLMTAB-ZDUSSCGKSA-N 1 2 289.423 3.111 20 30 CGEDLO C=CCCCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372395268 392605261 /nfs/dbraw/zinc/60/52/61/392605261.db2.gz XFBKDCOORLMTAB-ZDUSSCGKSA-N 1 2 289.423 3.111 20 30 CGEDLO CCCCCCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374342885 392675439 /nfs/dbraw/zinc/67/54/39/392675439.db2.gz VXBMSLLXWRRRSO-HNNXBMFYSA-N 1 2 291.439 3.487 20 30 CGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329616068 392688328 /nfs/dbraw/zinc/68/83/28/392688328.db2.gz PSSIKYMCNBEDSP-NWDGAFQWSA-N 1 2 275.396 3.440 20 30 CGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329616068 392688336 /nfs/dbraw/zinc/68/83/36/392688336.db2.gz PSSIKYMCNBEDSP-NWDGAFQWSA-N 1 2 275.396 3.440 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179316317 392696159 /nfs/dbraw/zinc/69/61/59/392696159.db2.gz ZOKRPVCWQJCPPQ-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179316317 392696164 /nfs/dbraw/zinc/69/61/64/392696164.db2.gz ZOKRPVCWQJCPPQ-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000519762113 392891639 /nfs/dbraw/zinc/89/16/39/392891639.db2.gz SLWOXQQOODENKB-CQSZACIVSA-N 1 2 281.359 3.060 20 30 CGEDLO COc1ccc(C)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338380664 392913709 /nfs/dbraw/zinc/91/37/09/392913709.db2.gz MPPJZTCMZVGDCB-CYBMUJFWSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(C)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338380664 392913717 /nfs/dbraw/zinc/91/37/17/392913717.db2.gz MPPJZTCMZVGDCB-CYBMUJFWSA-N 1 2 258.365 3.128 20 30 CGEDLO CCc1ccc(C[N@H+](CCC#N)CC(C)(C)C)nc1 ZINC000339004803 392939543 /nfs/dbraw/zinc/93/95/43/392939543.db2.gz YMLPQBPZHIKTJB-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO CCc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)nc1 ZINC000339004803 392939547 /nfs/dbraw/zinc/93/95/47/392939547.db2.gz YMLPQBPZHIKTJB-UHFFFAOYSA-N 1 2 259.397 3.406 20 30 CGEDLO COc1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)cc1Cl ZINC000412036835 392994921 /nfs/dbraw/zinc/99/49/21/392994921.db2.gz HXMROCSRPPPUMH-CYBMUJFWSA-N 1 2 291.782 3.224 20 30 CGEDLO COc1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1Cl ZINC000412036835 392994927 /nfs/dbraw/zinc/99/49/27/392994927.db2.gz HXMROCSRPPPUMH-CYBMUJFWSA-N 1 2 291.782 3.224 20 30 CGEDLO C=C(C)CN(CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000346394150 393088145 /nfs/dbraw/zinc/08/81/45/393088145.db2.gz GRMIEGLQOUNSDI-UHFFFAOYSA-N 1 2 285.391 3.159 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000348839267 393132153 /nfs/dbraw/zinc/13/21/53/393132153.db2.gz VXKBDTMRFMPMIF-AWEZNQCLSA-N 1 2 267.319 3.481 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000348839267 393132160 /nfs/dbraw/zinc/13/21/60/393132160.db2.gz VXKBDTMRFMPMIF-AWEZNQCLSA-N 1 2 267.319 3.481 20 30 CGEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000677478396 543450390 /nfs/dbraw/zinc/45/03/90/543450390.db2.gz WLNBODYYFJWAMH-INIZCTEOSA-N 1 2 286.419 3.284 20 30 CGEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000677478396 543450391 /nfs/dbraw/zinc/45/03/91/543450391.db2.gz WLNBODYYFJWAMH-INIZCTEOSA-N 1 2 286.419 3.284 20 30 CGEDLO CCC#C[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000677478001 543450507 /nfs/dbraw/zinc/45/05/07/543450507.db2.gz IJLYOQPUKZGEPB-RXNMKEHESA-N 1 2 282.431 3.119 20 30 CGEDLO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)no1 ZINC000063750957 165029418 /nfs/dbraw/zinc/02/94/18/165029418.db2.gz HOSVVCAWJFTZHS-UHFFFAOYSA-N 1 2 269.348 3.265 20 30 CGEDLO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)no1 ZINC000063750957 165029422 /nfs/dbraw/zinc/02/94/22/165029422.db2.gz HOSVVCAWJFTZHS-UHFFFAOYSA-N 1 2 269.348 3.265 20 30 CGEDLO Cc1ccc(NC(=O)/C=C/c2cccc(C#N)c2)c(C)[nH+]1 ZINC000121595160 287200698 /nfs/dbraw/zinc/20/06/98/287200698.db2.gz JTCWZXCMJKFTJM-VQHVLOKHSA-N 1 2 277.327 3.222 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000679218213 543600693 /nfs/dbraw/zinc/60/06/93/543600693.db2.gz LBEVWBOLUHONGD-HNNXBMFYSA-N 1 2 279.387 3.032 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000679218213 543600695 /nfs/dbraw/zinc/60/06/95/543600695.db2.gz LBEVWBOLUHONGD-HNNXBMFYSA-N 1 2 279.387 3.032 20 30 CGEDLO N#Cc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)o1 ZINC000131588772 287384640 /nfs/dbraw/zinc/38/46/40/287384640.db2.gz ZTOHPASWCHVCHC-UHFFFAOYSA-N 1 2 282.347 3.149 20 30 CGEDLO COCC[N@H+](CCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000347121329 226033910 /nfs/dbraw/zinc/03/39/10/226033910.db2.gz LTSUEYZEQJKZEW-HNNXBMFYSA-N 1 2 264.413 3.231 20 30 CGEDLO COCC[N@@H+](CCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000347121329 226033915 /nfs/dbraw/zinc/03/39/15/226033915.db2.gz LTSUEYZEQJKZEW-HNNXBMFYSA-N 1 2 264.413 3.231 20 30 CGEDLO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653564821 419049961 /nfs/dbraw/zinc/04/99/61/419049961.db2.gz NFMFMGYDYRRDJM-WMLDXEAASA-N 1 2 282.391 3.047 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653564821 419049966 /nfs/dbraw/zinc/04/99/66/419049966.db2.gz NFMFMGYDYRRDJM-WMLDXEAASA-N 1 2 282.391 3.047 20 30 CGEDLO C=CCCC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661730590 419291588 /nfs/dbraw/zinc/29/15/88/419291588.db2.gz FWIFMCSSFBWDFM-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=CCCC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661730590 419291591 /nfs/dbraw/zinc/29/15/91/419291591.db2.gz FWIFMCSSFBWDFM-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)C(C)(C)C ZINC000661757005 419295061 /nfs/dbraw/zinc/29/50/61/419295061.db2.gz BBHNFKLALXVKNG-UHFFFAOYSA-N 1 2 274.412 3.277 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C(C)(C)C ZINC000661757005 419295063 /nfs/dbraw/zinc/29/50/63/419295063.db2.gz BBHNFKLALXVKNG-UHFFFAOYSA-N 1 2 274.412 3.277 20 30 CGEDLO C=CC[N@@H+](Cc1nnc(C(C)C)s1)C(C)(C)C ZINC000661758801 419295836 /nfs/dbraw/zinc/29/58/36/419295836.db2.gz VPYXUFLYCCEODN-UHFFFAOYSA-N 1 2 253.415 3.448 20 30 CGEDLO C=CC[N@H+](Cc1nnc(C(C)C)s1)C(C)(C)C ZINC000661758801 419295837 /nfs/dbraw/zinc/29/58/37/419295837.db2.gz VPYXUFLYCCEODN-UHFFFAOYSA-N 1 2 253.415 3.448 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367214727 228019536 /nfs/dbraw/zinc/01/95/36/228019536.db2.gz AAUBKXNIJAGDJI-MRXNPFEDSA-N 1 2 290.370 3.091 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367214727 228019538 /nfs/dbraw/zinc/01/95/38/228019538.db2.gz AAUBKXNIJAGDJI-MRXNPFEDSA-N 1 2 290.370 3.091 20 30 CGEDLO CC#CCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534534 419271109 /nfs/dbraw/zinc/27/11/09/419271109.db2.gz GQSZNGBBVKMQND-NSHDSACASA-N 1 2 283.297 3.046 20 30 CGEDLO CC#CCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661534534 419271112 /nfs/dbraw/zinc/27/11/12/419271112.db2.gz GQSZNGBBVKMQND-NSHDSACASA-N 1 2 283.297 3.046 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042324866 260186146 /nfs/dbraw/zinc/18/61/46/260186146.db2.gz FPIJOBGFNFXHDJ-VIFPVBQESA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000042324866 260186147 /nfs/dbraw/zinc/18/61/47/260186147.db2.gz FPIJOBGFNFXHDJ-VIFPVBQESA-N 1 2 285.160 3.180 20 30 CGEDLO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1nncs1 ZINC000048481940 260199539 /nfs/dbraw/zinc/19/95/39/260199539.db2.gz PLCXZXSJNQWFGH-VIFPVBQESA-N 1 2 294.405 3.025 20 30 CGEDLO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1nncs1 ZINC000048481940 260199540 /nfs/dbraw/zinc/19/95/40/260199540.db2.gz PLCXZXSJNQWFGH-VIFPVBQESA-N 1 2 294.405 3.025 20 30 CGEDLO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](C#N)CCC#N ZINC000073021373 260279604 /nfs/dbraw/zinc/27/96/04/260279604.db2.gz PXXITPNQBWUHNS-MRXNPFEDSA-N 1 2 296.418 3.162 20 30 CGEDLO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](C#N)CCC#N ZINC000073021373 260279605 /nfs/dbraw/zinc/27/96/05/260279605.db2.gz PXXITPNQBWUHNS-MRXNPFEDSA-N 1 2 296.418 3.162 20 30 CGEDLO C[N@@H+](CCC#N)CCOc1cccc2ccccc21 ZINC000083217931 260347415 /nfs/dbraw/zinc/34/74/15/260347415.db2.gz JQXJOBRAOAXLLH-UHFFFAOYSA-N 1 2 254.333 3.064 20 30 CGEDLO C[N@H+](CCC#N)CCOc1cccc2ccccc21 ZINC000083217931 260347417 /nfs/dbraw/zinc/34/74/17/260347417.db2.gz JQXJOBRAOAXLLH-UHFFFAOYSA-N 1 2 254.333 3.064 20 30 CGEDLO COc1cccc([C@@H]2C[N@H+](CCC(C)(C)C#N)CCO2)c1 ZINC000119995432 260699181 /nfs/dbraw/zinc/69/91/81/260699181.db2.gz RYFSBLNNFHARNU-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1cccc([C@@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)c1 ZINC000119995432 260699182 /nfs/dbraw/zinc/69/91/82/260699182.db2.gz RYFSBLNNFHARNU-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO Cc1cc(O)c(C[N@H+](CC#N)C2CCCC2)cc1C ZINC000153390635 261077653 /nfs/dbraw/zinc/07/76/53/261077653.db2.gz UCXZYOCVRPRLEG-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO Cc1cc(O)c(C[N@@H+](CC#N)C2CCCC2)cc1C ZINC000153390635 261077655 /nfs/dbraw/zinc/07/76/55/261077655.db2.gz UCXZYOCVRPRLEG-UHFFFAOYSA-N 1 2 258.365 3.277 20 30 CGEDLO CCC(CC)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448273733 261080070 /nfs/dbraw/zinc/08/00/70/261080070.db2.gz SSNKIAPHMSFGEE-HOTGVXAUSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC(CC)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448273733 261080072 /nfs/dbraw/zinc/08/00/72/261080072.db2.gz SSNKIAPHMSFGEE-HOTGVXAUSA-N 1 2 264.413 3.350 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000162177610 261272198 /nfs/dbraw/zinc/27/21/98/261272198.db2.gz CCGWLRMEGDAHPC-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000364279981 262194450 /nfs/dbraw/zinc/19/44/50/262194450.db2.gz IFBZDAZEZIAMSJ-ROUUACIJSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000364279981 262194451 /nfs/dbraw/zinc/19/44/51/262194451.db2.gz IFBZDAZEZIAMSJ-ROUUACIJSA-N 1 2 295.361 3.492 20 30 CGEDLO N#CCCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000273188948 263013661 /nfs/dbraw/zinc/01/36/61/263013661.db2.gz GLNFNRPDEKOUMW-ZDUSSCGKSA-N 1 2 252.308 3.146 20 30 CGEDLO N#C[C@@H]1CC[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000278524228 263048588 /nfs/dbraw/zinc/04/85/88/263048588.db2.gz CYLSYGMBRZCZBG-AXHCFYFUSA-N 1 2 295.430 3.010 20 30 CGEDLO N#C[C@H]1CC[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000278524233 263048600 /nfs/dbraw/zinc/04/86/00/263048600.db2.gz CYLSYGMBRZCZBG-WYTIROKMSA-N 1 2 295.430 3.010 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@H+](CCC#N)CC1CC1 ZINC000279540360 263055995 /nfs/dbraw/zinc/05/59/95/263055995.db2.gz CQDGJIZSYUENLD-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@@H+](CCC#N)CC1CC1 ZINC000279540360 263055996 /nfs/dbraw/zinc/05/59/96/263055996.db2.gz CQDGJIZSYUENLD-UHFFFAOYSA-N 1 2 294.402 3.306 20 30 CGEDLO N#CC1CCC(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000282124929 263074466 /nfs/dbraw/zinc/07/44/66/263074466.db2.gz AZNWOFNVDIRDLP-UHFFFAOYSA-N 1 2 278.783 3.465 20 30 CGEDLO CC[C@](C)(C#N)C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000285822487 263095836 /nfs/dbraw/zinc/09/58/36/263095836.db2.gz FKNNKJNSPYYDSV-MRXNPFEDSA-N 1 2 282.347 3.264 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC000292256479 263130267 /nfs/dbraw/zinc/13/02/67/263130267.db2.gz REBMPPGFWFUFKJ-UHFFFAOYSA-N 1 2 258.365 3.375 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cccc(OC(C)C)c1 ZINC000292256479 263130268 /nfs/dbraw/zinc/13/02/68/263130268.db2.gz REBMPPGFWFUFKJ-UHFFFAOYSA-N 1 2 258.365 3.375 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000292709061 263134085 /nfs/dbraw/zinc/13/40/85/263134085.db2.gz DCEDWZSHCSSJEV-UHFFFAOYSA-N 1 2 280.318 3.232 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000292709061 263134086 /nfs/dbraw/zinc/13/40/86/263134086.db2.gz DCEDWZSHCSSJEV-UHFFFAOYSA-N 1 2 280.318 3.232 20 30 CGEDLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000292916225 263136424 /nfs/dbraw/zinc/13/64/24/263136424.db2.gz FVYPXFSBSJTXQJ-UONOGXRCSA-N 1 2 295.386 3.078 20 30 CGEDLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000292916225 263136425 /nfs/dbraw/zinc/13/64/25/263136425.db2.gz FVYPXFSBSJTXQJ-UONOGXRCSA-N 1 2 295.386 3.078 20 30 CGEDLO COC(=O)c1oc(C[N@H+](CCC#N)CC(C)(C)C)cc1C ZINC000171946522 335086014 /nfs/dbraw/zinc/08/60/14/335086014.db2.gz MUSNIEMIWWXKRM-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO COC(=O)c1oc(C[N@@H+](CCC#N)CC(C)(C)C)cc1C ZINC000171946522 335086016 /nfs/dbraw/zinc/08/60/16/335086016.db2.gz MUSNIEMIWWXKRM-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)c[nH+]1 ZINC000331231854 264153467 /nfs/dbraw/zinc/15/34/67/264153467.db2.gz FAGHCIBELIIRIO-UKRRQHHQSA-N 1 2 293.411 3.397 20 30 CGEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000128872351 264307656 /nfs/dbraw/zinc/30/76/56/264307656.db2.gz INYIYGMSKVHHQE-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000128872351 264307658 /nfs/dbraw/zinc/30/76/58/264307658.db2.gz INYIYGMSKVHHQE-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO CC[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1[nH]cc[nH+]1 ZINC000356754871 266169637 /nfs/dbraw/zinc/16/96/37/266169637.db2.gz DSJJPUXKZICJBZ-HUUCEWRRSA-N 1 2 296.374 3.065 20 30 CGEDLO CCOc1cccc2cc([C@@H](C)[NH2+]CCC#N)oc21 ZINC000357380297 266287178 /nfs/dbraw/zinc/28/71/78/266287178.db2.gz RNDCGGNPGKWSLO-LLVKDONJSA-N 1 2 258.321 3.396 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370313202 267308809 /nfs/dbraw/zinc/30/88/09/267308809.db2.gz HRZWMJFKSAFMHZ-NVXWUHKLSA-N 1 2 285.366 3.309 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370313202 267308812 /nfs/dbraw/zinc/30/88/12/267308812.db2.gz HRZWMJFKSAFMHZ-NVXWUHKLSA-N 1 2 285.366 3.309 20 30 CGEDLO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCC#N ZINC000347350047 280024816 /nfs/dbraw/zinc/02/48/16/280024816.db2.gz LVIJYOQZSPSCQX-NSHDSACASA-N 1 2 293.208 3.499 20 30 CGEDLO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCCC#N ZINC000347350047 280024818 /nfs/dbraw/zinc/02/48/18/280024818.db2.gz LVIJYOQZSPSCQX-NSHDSACASA-N 1 2 293.208 3.499 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000292267720 281246677 /nfs/dbraw/zinc/24/66/77/281246677.db2.gz PYXUJOVRINILSK-ZDUSSCGKSA-N 1 2 298.308 3.100 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](C(F)(F)F)O1 ZINC000292267720 281246680 /nfs/dbraw/zinc/24/66/80/281246680.db2.gz PYXUJOVRINILSK-ZDUSSCGKSA-N 1 2 298.308 3.100 20 30 CGEDLO CC(C)(O)COc1ccc([NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000274207696 328209500 /nfs/dbraw/zinc/20/95/00/328209500.db2.gz MPVFIRIIFSOVMK-ZFWWWQNUSA-N 1 2 288.391 3.331 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccc(C#N)cc3)cn2c1 ZINC000171257600 321923694 /nfs/dbraw/zinc/92/36/94/321923694.db2.gz IKJQBDKXTDJMDQ-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(C4CC4)s3)CC2)c1 ZINC000571631160 322303784 /nfs/dbraw/zinc/30/37/84/322303784.db2.gz RNTXGIYOIPRSSI-UHFFFAOYSA-N 1 2 296.399 3.066 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000556858871 326973699 /nfs/dbraw/zinc/97/36/99/326973699.db2.gz LREFGLAEOUXXKY-FZMZJTMJSA-N 1 2 289.766 3.197 20 30 CGEDLO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)CC(F)F ZINC000343551551 327033233 /nfs/dbraw/zinc/03/32/33/327033233.db2.gz MVVCUJHCRINVGN-UHFFFAOYSA-N 1 2 252.308 3.228 20 30 CGEDLO CC(C)[N@H+](Cc1ccc(CC#N)cc1)CC(F)F ZINC000343551551 327033234 /nfs/dbraw/zinc/03/32/34/327033234.db2.gz MVVCUJHCRINVGN-UHFFFAOYSA-N 1 2 252.308 3.228 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@@H+]2CCCC(C)(C)[C@H]2C#N)CCO1 ZINC000574510094 327339643 /nfs/dbraw/zinc/33/96/43/327339643.db2.gz BWRAWBOCIYVMTA-RBSFLKMASA-N 1 2 264.413 3.206 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@H+]2CCCC(C)(C)[C@H]2C#N)CCO1 ZINC000574510094 327339644 /nfs/dbraw/zinc/33/96/44/327339644.db2.gz BWRAWBOCIYVMTA-RBSFLKMASA-N 1 2 264.413 3.206 20 30 CGEDLO N#CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000372591873 328966449 /nfs/dbraw/zinc/96/64/49/328966449.db2.gz INJTYQHIPRBNBT-QWHCGFSZSA-N 1 2 268.282 3.455 20 30 CGEDLO N#CCCCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377513236 329017351 /nfs/dbraw/zinc/01/73/51/329017351.db2.gz SJGHAMKYZBUDGO-CYBMUJFWSA-N 1 2 274.368 3.168 20 30 CGEDLO N#CCCCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000377513236 329017352 /nfs/dbraw/zinc/01/73/52/329017352.db2.gz SJGHAMKYZBUDGO-CYBMUJFWSA-N 1 2 274.368 3.168 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@H]2c2noc(CC)n2)cc1 ZINC000377623106 329021362 /nfs/dbraw/zinc/02/13/62/329021362.db2.gz ZMUMFQCAPSKXQS-INIZCTEOSA-N 1 2 295.386 3.341 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2noc(CC)n2)cc1 ZINC000377623106 329021363 /nfs/dbraw/zinc/02/13/63/329021363.db2.gz ZMUMFQCAPSKXQS-INIZCTEOSA-N 1 2 295.386 3.341 20 30 CGEDLO COc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000168915482 329062027 /nfs/dbraw/zinc/06/20/27/329062027.db2.gz XIJWIGGOIIVCGB-MFKMUULPSA-N 1 2 264.756 3.130 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000181334184 329231913 /nfs/dbraw/zinc/23/19/13/329231913.db2.gz LZSJDQBYIWXSRZ-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000181334184 329231915 /nfs/dbraw/zinc/23/19/15/329231915.db2.gz LZSJDQBYIWXSRZ-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc(-c2ccccc2)oc1C ZINC000571936686 329930646 /nfs/dbraw/zinc/93/06/46/329930646.db2.gz FITSMFSFQCXCIN-CQSZACIVSA-N 1 2 269.348 3.432 20 30 CGEDLO C=C1CC[NH+](Cc2cc(C(C)=O)ccc2OCC)CC1 ZINC000264472947 330061486 /nfs/dbraw/zinc/06/14/86/330061486.db2.gz OBXSYLAUAGORNT-UHFFFAOYSA-N 1 2 273.376 3.440 20 30 CGEDLO CCc1ccc2[nH+]ccc(N(C)C[C@H](C)C#N)c2c1 ZINC000450257143 330968879 /nfs/dbraw/zinc/96/88/79/330968879.db2.gz JXQMDYAMFFJSNM-GFCCVEGCSA-N 1 2 253.349 3.393 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccnc1N ZINC000450983429 331010182 /nfs/dbraw/zinc/01/01/82/331010182.db2.gz QMJQMZMPJHZHCA-UHFFFAOYSA-N 1 2 299.422 3.020 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccnc1N ZINC000450983429 331010183 /nfs/dbraw/zinc/01/01/83/331010183.db2.gz QMJQMZMPJHZHCA-UHFFFAOYSA-N 1 2 299.422 3.020 20 30 CGEDLO C=C(C)CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000452719538 331073460 /nfs/dbraw/zinc/07/34/60/331073460.db2.gz TZIWJNVFQJSRJM-UHFFFAOYSA-N 1 2 294.826 3.244 20 30 CGEDLO C=C(C)CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000452719538 331073461 /nfs/dbraw/zinc/07/34/61/331073461.db2.gz TZIWJNVFQJSRJM-UHFFFAOYSA-N 1 2 294.826 3.244 20 30 CGEDLO C=CCCC[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000459614623 331290576 /nfs/dbraw/zinc/29/05/76/331290576.db2.gz WFBSHELFEKTXOC-HNNXBMFYSA-N 1 2 261.365 3.073 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000491316708 332189175 /nfs/dbraw/zinc/18/91/75/332189175.db2.gz XAIUSAOYPBEGKF-SNVBAGLBSA-N 1 2 275.739 3.016 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000491316708 332189177 /nfs/dbraw/zinc/18/91/77/332189177.db2.gz XAIUSAOYPBEGKF-SNVBAGLBSA-N 1 2 275.739 3.016 20 30 CGEDLO N#CC[N@@H+](CCOc1ccc(Cl)cc1)C1CCCC1 ZINC000524593738 333367666 /nfs/dbraw/zinc/36/76/66/333367666.db2.gz OUAQIZXUWYHWSH-UHFFFAOYSA-N 1 2 278.783 3.487 20 30 CGEDLO N#CC[N@H+](CCOc1ccc(Cl)cc1)C1CCCC1 ZINC000524593738 333367667 /nfs/dbraw/zinc/36/76/67/333367667.db2.gz OUAQIZXUWYHWSH-UHFFFAOYSA-N 1 2 278.783 3.487 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)o1 ZINC000174333401 335152831 /nfs/dbraw/zinc/15/28/31/335152831.db2.gz ZIIAXRUZPFDRBT-UHFFFAOYSA-N 1 2 279.299 3.096 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc(Cl)c2)c1 ZINC000546634305 334042336 /nfs/dbraw/zinc/04/23/36/334042336.db2.gz JXLHPXOGTVNPSZ-UHFFFAOYSA-N 1 2 257.724 3.413 20 30 CGEDLO C=CCC(C)(C)c1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000551499156 334251759 /nfs/dbraw/zinc/25/17/59/334251759.db2.gz LQEWLXUCLJDYCN-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO CCc1cc(C[NH2+][C@H](CCC#N)c2ccc(OC)cc2)on1 ZINC000580991713 335993161 /nfs/dbraw/zinc/99/31/61/335993161.db2.gz NCQNBIOIKMGVBR-QGZVFWFLSA-N 1 2 299.374 3.380 20 30 CGEDLO C=CC(C)(C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000581054104 336001358 /nfs/dbraw/zinc/00/13/58/336001358.db2.gz LSFFAJKEOGSXET-UHFFFAOYSA-N 1 2 257.337 3.022 20 30 CGEDLO CC(C)(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000195200107 336049230 /nfs/dbraw/zinc/04/92/30/336049230.db2.gz MQRAKAWPIVNTKB-UHFFFAOYSA-N 1 2 282.347 3.319 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000359875790 533860995 /nfs/dbraw/zinc/86/09/95/533860995.db2.gz NZPCVTJKWJALDT-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000359875790 533861000 /nfs/dbraw/zinc/86/10/00/533861000.db2.gz NZPCVTJKWJALDT-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO Cc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]3C#N)on2)cc1 ZINC000332127483 534184856 /nfs/dbraw/zinc/18/48/56/534184856.db2.gz BGNZOZIRQWSRRB-GDBMZVCRSA-N 1 2 281.359 3.432 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000184943871 518628976 /nfs/dbraw/zinc/62/89/76/518628976.db2.gz GLFHBTPQCDAFED-CYBMUJFWSA-N 1 2 285.391 3.063 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000185021732 518634160 /nfs/dbraw/zinc/63/41/60/518634160.db2.gz RCGKEESGATWBDX-AWEZNQCLSA-N 1 2 283.375 3.091 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000330129343 534386484 /nfs/dbraw/zinc/38/64/84/534386484.db2.gz JWYHZNMHJLLXKZ-MFKMUULPSA-N 1 2 260.337 3.292 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(COC)n1 ZINC000352699932 526326505 /nfs/dbraw/zinc/32/65/05/526326505.db2.gz HCVODMSUWYWWAJ-UHFFFAOYSA-N 1 2 292.404 3.113 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(COC)n1 ZINC000352699932 526326506 /nfs/dbraw/zinc/32/65/06/526326506.db2.gz HCVODMSUWYWWAJ-UHFFFAOYSA-N 1 2 292.404 3.113 20 30 CGEDLO N#Cc1ccccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000156912953 526736788 /nfs/dbraw/zinc/73/67/88/526736788.db2.gz DXMDYMNLLZLUCP-UHFFFAOYSA-N 1 2 275.311 3.323 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1Cl ZINC000353527379 526860721 /nfs/dbraw/zinc/86/07/21/526860721.db2.gz LAJPFRZIJOFGRF-UHFFFAOYSA-N 1 2 291.782 3.260 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1Cl ZINC000353527379 526860727 /nfs/dbraw/zinc/86/07/27/526860727.db2.gz LAJPFRZIJOFGRF-UHFFFAOYSA-N 1 2 291.782 3.260 20 30 CGEDLO CCS[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425224580 529215317 /nfs/dbraw/zinc/21/53/17/529215317.db2.gz DXNGCZHQTJQYKO-UONOGXRCSA-N 1 2 275.421 3.160 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2sc(N(C)C)nc2Cl)nc1 ZINC000727259643 571735595 /nfs/dbraw/zinc/73/55/95/571735595.db2.gz JCFZDAOTCUPWKU-UHFFFAOYSA-N 1 2 295.799 3.012 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727825141 571771184 /nfs/dbraw/zinc/77/11/84/571771184.db2.gz WTYAVKUILZVMJC-CYBMUJFWSA-N 1 2 292.452 3.309 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727825141 571771188 /nfs/dbraw/zinc/77/11/88/571771188.db2.gz WTYAVKUILZVMJC-CYBMUJFWSA-N 1 2 292.452 3.309 20 30 CGEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1F ZINC000730147760 571951287 /nfs/dbraw/zinc/95/12/87/571951287.db2.gz JQFHKNWBNRMILC-UHFFFAOYSA-N 1 2 295.317 3.250 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000742382987 572352520 /nfs/dbraw/zinc/35/25/20/572352520.db2.gz IAAVQSMZHMMLMM-UHFFFAOYSA-N 1 2 276.261 3.265 20 30 CGEDLO Cc1cc(Cl)cc2c1OC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000731159514 572398643 /nfs/dbraw/zinc/39/86/43/572398643.db2.gz RZYYHMFYZGBPKM-WEVVVXLNSA-N 1 2 274.707 3.030 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000731159997 572398649 /nfs/dbraw/zinc/39/86/49/572398649.db2.gz ZYNZEQGAEAPPOM-CMDGGOBGSA-N 1 2 292.342 3.108 20 30 CGEDLO C#CCOc1ccccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000734145634 572630630 /nfs/dbraw/zinc/63/06/30/572630630.db2.gz XFXTXNZYZZOGPA-UHFFFAOYSA-N 1 2 281.359 3.224 20 30 CGEDLO C=CCCC[N@@H+](C)Cn1c(=S)ncn1-c1ccccc1 ZINC000736589199 572800416 /nfs/dbraw/zinc/80/04/16/572800416.db2.gz DCWAPVNIKINRES-UHFFFAOYSA-N 1 2 288.420 3.259 20 30 CGEDLO C=CCCC[N@H+](C)Cn1c(=S)ncn1-c1ccccc1 ZINC000736589199 572800419 /nfs/dbraw/zinc/80/04/19/572800419.db2.gz DCWAPVNIKINRES-UHFFFAOYSA-N 1 2 288.420 3.259 20 30 CGEDLO CCC1(C/[NH+]=C\c2c(O)cccc2OC)CCOCC1 ZINC000745977195 572845980 /nfs/dbraw/zinc/84/59/80/572845980.db2.gz QODDGWBSRNFTFV-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2(CC)CCOCC2)c(O)c1 ZINC000745977503 572846017 /nfs/dbraw/zinc/84/60/17/572846017.db2.gz WWVRDLHVPPBNHJ-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3/Cc4c(cccc4O)C3=O)n21 ZINC000748999677 572987949 /nfs/dbraw/zinc/98/79/49/572987949.db2.gz SHJYOMVWZRNPIW-WQLSENKSSA-N 1 2 290.322 3.171 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H](C)c2ccncc2)c1 ZINC000749845709 573047785 /nfs/dbraw/zinc/04/77/85/573047785.db2.gz TVRKHSQHKHOIAJ-KZKLBEMASA-N 1 2 284.359 3.409 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749943086 573063850 /nfs/dbraw/zinc/06/38/50/573063850.db2.gz XMVPNSRFXSUEDZ-ZWKOTPCHSA-N 1 2 298.430 3.423 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749943086 573063857 /nfs/dbraw/zinc/06/38/57/573063857.db2.gz XMVPNSRFXSUEDZ-ZWKOTPCHSA-N 1 2 298.430 3.423 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2coc3ccccc23)C1 ZINC000957459757 613297501 /nfs/dbraw/zinc/29/75/01/613297501.db2.gz YXLPVLFTRHCNJT-UHFFFAOYSA-N 1 2 298.386 3.155 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000891465028 618228117 /nfs/dbraw/zinc/22/81/17/618228117.db2.gz ODVRYVPBUZTUNZ-UHFFFAOYSA-N 1 2 276.428 3.453 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC000891465028 618228118 /nfs/dbraw/zinc/22/81/18/618228118.db2.gz ODVRYVPBUZTUNZ-UHFFFAOYSA-N 1 2 276.428 3.453 20 30 CGEDLO CC(C)Cc1ccc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000891937310 618395633 /nfs/dbraw/zinc/39/56/33/618395633.db2.gz HADAOSXWFYAIRW-UHFFFAOYSA-N 1 2 271.408 3.406 20 30 CGEDLO CC(C)Cc1ccc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000891937310 618395646 /nfs/dbraw/zinc/39/56/46/618395646.db2.gz HADAOSXWFYAIRW-UHFFFAOYSA-N 1 2 271.408 3.406 20 30 CGEDLO CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(C#N)c1O ZINC000926735542 618853529 /nfs/dbraw/zinc/85/35/29/618853529.db2.gz GBSGWKGKVNPHLP-YPMHNXCESA-N 1 2 280.318 3.350 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008221759 619067009 /nfs/dbraw/zinc/06/70/09/619067009.db2.gz ADOSCNXWFDSEHU-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008221759 619067014 /nfs/dbraw/zinc/06/70/14/619067014.db2.gz ADOSCNXWFDSEHU-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C[C@@H](Cc1ccccc1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000893450104 619178270 /nfs/dbraw/zinc/17/82/70/619178270.db2.gz JDULVYKAPUJVFL-HOCLYGCPSA-N 1 2 284.359 3.175 20 30 CGEDLO Cc1cc(NCC2(CC#N)CC2)nc(C2CCC2)[nH+]1 ZINC000893648225 619268454 /nfs/dbraw/zinc/26/84/54/619268454.db2.gz DJRHRMHKBQMIDJ-UHFFFAOYSA-N 1 2 256.353 3.158 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000932152512 619304397 /nfs/dbraw/zinc/30/43/97/619304397.db2.gz PVKRKCMWIYRKOF-LBPRGKRZSA-N 1 2 264.369 3.153 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000932152512 619304399 /nfs/dbraw/zinc/30/43/99/619304399.db2.gz PVKRKCMWIYRKOF-LBPRGKRZSA-N 1 2 264.369 3.153 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894470335 619547167 /nfs/dbraw/zinc/54/71/67/619547167.db2.gz UXQQXQDAXGPTHW-LLVKDONJSA-N 1 2 294.420 3.485 20 30 CGEDLO N#Cc1cc(C[N@H+](Cc2cccnc2)C2CC2)cs1 ZINC000894490258 619552075 /nfs/dbraw/zinc/55/20/75/619552075.db2.gz OEHSXRPBAPSREH-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO N#Cc1cc(C[N@@H+](Cc2cccnc2)C2CC2)cs1 ZINC000894490258 619552077 /nfs/dbraw/zinc/55/20/77/619552077.db2.gz OEHSXRPBAPSREH-UHFFFAOYSA-N 1 2 269.373 3.179 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)Cc2ccccc2O1 ZINC000894592844 619586795 /nfs/dbraw/zinc/58/67/95/619586795.db2.gz NVGGQTUTFFCTBG-GFCCVEGCSA-N 1 2 284.384 3.403 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)Cc2ccccc2O1 ZINC000894592844 619586797 /nfs/dbraw/zinc/58/67/97/619586797.db2.gz NVGGQTUTFFCTBG-GFCCVEGCSA-N 1 2 284.384 3.403 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC[C@H]2CCOC2)c(O)c1 ZINC000840710106 620107674 /nfs/dbraw/zinc/10/76/74/620107674.db2.gz OWJLVJLYRFAKJH-MFVBVHDHSA-N 1 2 277.364 3.027 20 30 CGEDLO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(C#N)c1O ZINC000927160480 620614439 /nfs/dbraw/zinc/61/44/39/620614439.db2.gz SKDHXHNWQPCHML-SWLSCSKDSA-N 1 2 286.375 3.016 20 30 CGEDLO Cc1cccc2c1OC/C(=C/c1c[nH+]cn1C(C)C)C2=O ZINC000901459918 620894447 /nfs/dbraw/zinc/89/44/47/620894447.db2.gz YHKCIDQTWOMBCR-QPEQYQDCSA-N 1 2 282.343 3.431 20 30 CGEDLO CSc1ccc2c(c1)CC/C(=C/c1c[nH+]cn1C)C2=O ZINC000901466733 620896050 /nfs/dbraw/zinc/89/60/50/620896050.db2.gz MGXMIGOVWBGELF-GHXNOFRVSA-N 1 2 284.384 3.355 20 30 CGEDLO Cn1c[nH+]cc1/C=C1/CC(C)(C)c2ccccc2C1=O ZINC000901508197 620906916 /nfs/dbraw/zinc/90/69/16/620906916.db2.gz PFUNPJCUOPPURQ-WQLSENKSSA-N 1 2 266.344 3.368 20 30 CGEDLO C[C@H]1C/C(=C\c2c[nH+]cn2C)C(=O)c2ccccc21 ZINC000901486480 620911793 /nfs/dbraw/zinc/91/17/93/620911793.db2.gz JACGUPKGGFNIQT-SERMCNLOSA-N 1 2 252.317 3.194 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000902888620 621486429 /nfs/dbraw/zinc/48/64/29/621486429.db2.gz UPWNPKQUAFPJPF-HOCLYGCPSA-N 1 2 282.391 3.103 20 30 CGEDLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cc(C#N)ccn1 ZINC000902929080 621497749 /nfs/dbraw/zinc/49/77/49/621497749.db2.gz PRKOAIWIYHKFFM-LBPRGKRZSA-N 1 2 266.348 3.192 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CCCC1 ZINC000903109829 621583796 /nfs/dbraw/zinc/58/37/96/621583796.db2.gz WMAYVTVEKGCTCS-LBPRGKRZSA-N 1 2 275.783 3.396 20 30 CGEDLO N#CCC[NH2+]Cc1ccccc1SC(F)(F)F ZINC000905698903 622099368 /nfs/dbraw/zinc/09/93/68/622099368.db2.gz QHLUSOGZVIFOIE-UHFFFAOYSA-N 1 2 260.284 3.302 20 30 CGEDLO C=CC[C@H]1N(C(=O)CNc2cccc[nH+]2)CCCC1(C)C ZINC000907776221 622311039 /nfs/dbraw/zinc/31/10/39/622311039.db2.gz ZECRNYJUSLWSPA-CQSZACIVSA-N 1 2 287.407 3.087 20 30 CGEDLO Cc1cc(C)c(C(=O)NCc2ccc(CC#N)cc2)c(C)[nH+]1 ZINC000911494213 622535911 /nfs/dbraw/zinc/53/59/11/622535911.db2.gz TYKPKUKKEIKDKG-UHFFFAOYSA-N 1 2 293.370 3.003 20 30 CGEDLO CC(=[NH+]Nc1cccc2c1CCCC2)c1csc(N)n1 ZINC000917553557 624287037 /nfs/dbraw/zinc/28/70/37/624287037.db2.gz ZCHMKAAHAUAMCH-UHFFFAOYSA-N 1 2 286.404 3.440 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCc2ccc(OC)cc2)c(O)c1 ZINC000920943014 624554111 /nfs/dbraw/zinc/55/41/11/624554111.db2.gz XHXLEOSCRWQTCT-UYRXBGFRSA-N 1 2 299.370 3.461 20 30 CGEDLO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1C#N ZINC000921917177 625929437 /nfs/dbraw/zinc/92/94/37/625929437.db2.gz KQKVGLJKPJOUAS-UHFFFAOYSA-N 1 2 299.374 3.142 20 30 CGEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1nc2ccccc2[nH]1 ZINC000752717537 626435660 /nfs/dbraw/zinc/43/56/60/626435660.db2.gz DQHKLDJUYMELSR-UHFFFAOYSA-N 1 2 279.347 3.208 20 30 CGEDLO CC(Cc1cccs1)=[NH+]n1cc(Br)cn1 ZINC000752748691 626437481 /nfs/dbraw/zinc/43/74/81/626437481.db2.gz XVQOYBFMTQHKPA-UHFFFAOYSA-N 1 2 284.182 3.174 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Cl)c(F)c2)s1 ZINC000755752383 626642805 /nfs/dbraw/zinc/64/28/05/626642805.db2.gz DVFCADUOOKOFRZ-UHFFFAOYSA-N 1 2 298.774 3.448 20 30 CGEDLO C#CC[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1ccccc1 ZINC000758036645 626823224 /nfs/dbraw/zinc/82/32/24/626823224.db2.gz JNQYVSRFYPXLFI-INIZCTEOSA-N 1 2 292.386 3.475 20 30 CGEDLO C#CC[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1ccccc1 ZINC000758036645 626823227 /nfs/dbraw/zinc/82/32/27/626823227.db2.gz JNQYVSRFYPXLFI-INIZCTEOSA-N 1 2 292.386 3.475 20 30 CGEDLO CC(C)(C/[NH+]=C/c1ccccc1O)[C@H]1CCCCO1 ZINC000758359053 626838722 /nfs/dbraw/zinc/83/87/22/626838722.db2.gz NILHYVKEPMRBLO-QAEAHILHSA-N 1 2 261.365 3.406 20 30 CGEDLO CCOc1ccc(/C=N/Cc2ccn3cc[nH+]c3c2)c(O)c1 ZINC000761787230 627060686 /nfs/dbraw/zinc/06/06/86/627060686.db2.gz VCOBAKXVXZKMFZ-LDADJPATSA-N 1 2 295.342 3.058 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1ccc(Cl)cc1Cl ZINC000764667657 627217037 /nfs/dbraw/zinc/21/70/37/627217037.db2.gz NKQJQWSSSUDFCS-UHFFFAOYSA-N 1 2 281.146 3.417 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cncc3ccccc32)c1 ZINC000767292153 627397177 /nfs/dbraw/zinc/39/71/77/627397177.db2.gz SKKPZNDLOTZJNM-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2cc3ccccc3o2)cc1 ZINC000767825367 627439223 /nfs/dbraw/zinc/43/92/23/627439223.db2.gz UPRCBPFJDQYHNJ-UHFFFAOYSA-N 1 2 296.326 3.279 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cscn1 ZINC000776193230 628179685 /nfs/dbraw/zinc/17/96/85/628179685.db2.gz PSICKRYWIXMLIZ-NSCUHMNNSA-N 1 2 289.747 3.340 20 30 CGEDLO CCCCCCCCCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779094889 628388918 /nfs/dbraw/zinc/38/89/18/628388918.db2.gz GAOPWJJGIUSCIK-HNNXBMFYSA-N 1 2 291.439 3.455 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000780474595 628492159 /nfs/dbraw/zinc/49/21/59/628492159.db2.gz YGLPODUOEMXGNF-GJZGRUSLSA-N 1 2 261.365 3.187 20 30 CGEDLO C=C[C@@H](CC)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000780474595 628492162 /nfs/dbraw/zinc/49/21/62/628492162.db2.gz YGLPODUOEMXGNF-GJZGRUSLSA-N 1 2 261.365 3.187 20 30 CGEDLO C=CCSCC/[NH+]=C/c1ccc(OCC)cc1O ZINC000781099806 628536316 /nfs/dbraw/zinc/53/63/16/628536316.db2.gz HFHSIBSWAGPTNP-RVDMUPIBSA-N 1 2 265.378 3.129 20 30 CGEDLO CCCC[C@H](CC)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000783567818 628726703 /nfs/dbraw/zinc/72/67/03/628726703.db2.gz WPMJGLDXUKPGHG-RDJZCZTQSA-N 1 2 277.456 3.265 20 30 CGEDLO CCCC[C@H](CC)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000783567818 628726705 /nfs/dbraw/zinc/72/67/05/628726705.db2.gz WPMJGLDXUKPGHG-RDJZCZTQSA-N 1 2 277.456 3.265 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC[C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000783684800 628739563 /nfs/dbraw/zinc/73/95/63/628739563.db2.gz JFZYKTVLBPWEJL-YKJWAUKPSA-N 1 2 291.391 3.415 20 30 CGEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)cc(Cl)n1 ZINC000788714334 629075295 /nfs/dbraw/zinc/07/52/95/629075295.db2.gz WWOWAMZOOBFWSH-UHFFFAOYSA-N 1 2 296.761 3.460 20 30 CGEDLO CCCCCCCC[S@](=O)Cc1c[nH+]cn1C ZINC000790139893 629186251 /nfs/dbraw/zinc/18/62/51/629186251.db2.gz NXQTUURESPUIPN-KRWDZBQOSA-N 1 2 256.415 3.029 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C)ccn1 ZINC000792210034 629349964 /nfs/dbraw/zinc/34/99/64/629349964.db2.gz JJTIPXPBAZVHEF-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)ccn1 ZINC000792210034 629349966 /nfs/dbraw/zinc/34/99/66/629349966.db2.gz JJTIPXPBAZVHEF-UHFFFAOYSA-N 1 2 268.335 3.165 20 30 CGEDLO C#CC[C@@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000862448083 629381494 /nfs/dbraw/zinc/38/14/94/629381494.db2.gz WRJMMNNTMLGDAO-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@@H]1CC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000862448083 629381499 /nfs/dbraw/zinc/38/14/99/629381499.db2.gz WRJMMNNTMLGDAO-SECBINFHSA-N 1 2 274.311 3.007 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792882290 629390811 /nfs/dbraw/zinc/39/08/11/629390811.db2.gz SKLRXLXTZLPOOQ-LBPRGKRZSA-N 1 2 291.307 3.044 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792882290 629390813 /nfs/dbraw/zinc/39/08/13/629390813.db2.gz SKLRXLXTZLPOOQ-LBPRGKRZSA-N 1 2 291.307 3.044 20 30 CGEDLO Cc1ccc2[nH+]cc(CN=Nc3cccc(Cl)n3)n2c1 ZINC000793174020 629422373 /nfs/dbraw/zinc/42/23/73/629422373.db2.gz GNDUYRQMEMNVJB-UHFFFAOYSA-N 1 2 285.738 3.137 20 30 CGEDLO CSCCO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000794577824 629559124 /nfs/dbraw/zinc/55/91/24/629559124.db2.gz ZUKPNPPOBDUVMY-UHFFFAOYSA-N 1 2 282.384 3.139 20 30 CGEDLO O=C1c2cc(O)ccc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000794959956 629606489 /nfs/dbraw/zinc/60/64/89/629606489.db2.gz GXZQMYWQSJMGFZ-JLHYYAGUSA-N 1 2 290.322 3.252 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)no1 ZINC000806556677 630566432 /nfs/dbraw/zinc/56/64/32/630566432.db2.gz XHECAFICCSIBQK-NSCUHMNNSA-N 1 2 285.328 3.126 20 30 CGEDLO CC(C)C1CCC(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000809576203 630753372 /nfs/dbraw/zinc/75/33/72/630753372.db2.gz RCGOJSGMQWFXFQ-LEOMRAHMSA-N 1 2 289.467 3.121 20 30 CGEDLO CC(C)C1CCC(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000809576203 630753376 /nfs/dbraw/zinc/75/33/76/630753376.db2.gz RCGOJSGMQWFXFQ-LEOMRAHMSA-N 1 2 289.467 3.121 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809640398 630772327 /nfs/dbraw/zinc/77/23/27/630772327.db2.gz WJSDFYXXJQYEGN-UHFFFAOYSA-N 1 2 297.189 3.280 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000809988491 630823758 /nfs/dbraw/zinc/82/37/58/630823758.db2.gz FJICDNGELNYAPG-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1cc(OC)ccc1Br ZINC000809988491 630823761 /nfs/dbraw/zinc/82/37/61/630823761.db2.gz FJICDNGELNYAPG-UHFFFAOYSA-N 1 2 296.208 3.301 20 30 CGEDLO CCc1ccc2c(C[N@H+](C)CC(C)(C)C#N)cc(=O)oc2c1 ZINC000814669765 631619438 /nfs/dbraw/zinc/61/94/38/631619438.db2.gz HRHJJTZIXNUUHU-UHFFFAOYSA-N 1 2 298.386 3.337 20 30 CGEDLO CCc1ccc2c(C[N@@H+](C)CC(C)(C)C#N)cc(=O)oc2c1 ZINC000814669765 631619450 /nfs/dbraw/zinc/61/94/50/631619450.db2.gz HRHJJTZIXNUUHU-UHFFFAOYSA-N 1 2 298.386 3.337 20 30 CGEDLO COc1cc(F)ccc1N[NH+]=C(C)c1cc(N)ccc1F ZINC000814915927 631680132 /nfs/dbraw/zinc/68/01/32/631680132.db2.gz LVYSVZPPOJUTBZ-UHFFFAOYSA-N 1 2 291.301 3.392 20 30 CGEDLO CC[C@@H](C)CO[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814938830 631692864 /nfs/dbraw/zinc/69/28/64/631692864.db2.gz WKDFNVYGIFHVQC-MRVPVSSYSA-N 1 2 256.296 3.334 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000815127348 631724111 /nfs/dbraw/zinc/72/41/11/631724111.db2.gz QGQDGPOSOHLIDQ-UHFFFAOYSA-N 1 2 290.725 3.346 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816519328 632001739 /nfs/dbraw/zinc/00/17/39/632001739.db2.gz GOFKUKKCVATALU-VIFPVBQESA-N 1 2 282.746 3.309 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816519328 632001744 /nfs/dbraw/zinc/00/17/44/632001744.db2.gz GOFKUKKCVATALU-VIFPVBQESA-N 1 2 282.746 3.309 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccc(O)cc1 ZINC000820634042 632657441 /nfs/dbraw/zinc/65/74/41/632657441.db2.gz KMRQRRZPVCQPBJ-UHFFFAOYSA-N 1 2 296.370 3.234 20 30 CGEDLO Nc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)c[nH+]1 ZINC000821031329 632715235 /nfs/dbraw/zinc/71/52/35/632715235.db2.gz JDAARRQLHRQJFX-YHYXMXQVSA-N 1 2 286.331 3.175 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(C#N)c1O ZINC000866244233 633042631 /nfs/dbraw/zinc/04/26/31/633042631.db2.gz ZKKXHHPZZWMACO-CHWSQXEVSA-N 1 2 256.349 3.271 20 30 CGEDLO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269189 633054415 /nfs/dbraw/zinc/05/44/15/633054415.db2.gz OXKQWOCYMWDQRI-GHMZBOCLSA-N 1 2 299.374 3.151 20 30 CGEDLO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)Oc1ccccc1 ZINC000866296948 633068358 /nfs/dbraw/zinc/06/83/58/633068358.db2.gz PEYVAMHBFYBMJK-ZIAGYGMSSA-N 1 2 296.370 3.382 20 30 CGEDLO COC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CCCCC1 ZINC000866343131 633090255 /nfs/dbraw/zinc/09/02/55/633090255.db2.gz XDQZSDLGQUCKPP-ZDUSSCGKSA-N 1 2 288.391 3.264 20 30 CGEDLO COCC(C)(C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866356165 633097302 /nfs/dbraw/zinc/09/73/02/633097302.db2.gz JMUPGZUPGUZNMF-ZDUSSCGKSA-N 1 2 290.407 3.367 20 30 CGEDLO CCOC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CCCC1 ZINC000866363741 633102875 /nfs/dbraw/zinc/10/28/75/633102875.db2.gz NDBGQYHCHDDBLT-CYBMUJFWSA-N 1 2 288.391 3.264 20 30 CGEDLO Cc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc(C)n1 ZINC000866376852 633111429 /nfs/dbraw/zinc/11/14/29/633111429.db2.gz RWDCFFHVQZTPKZ-CYBMUJFWSA-N 1 2 281.359 3.127 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1Cl ZINC000825498084 633358604 /nfs/dbraw/zinc/35/86/04/633358604.db2.gz UMEDULYELVSSSR-OAHLLOKOSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(C#N)C2)cc1Cl ZINC000825498084 633358611 /nfs/dbraw/zinc/35/86/11/633358611.db2.gz UMEDULYELVSSSR-OAHLLOKOSA-N 1 2 278.783 3.480 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(Cl)cc1 ZINC000825949642 633392149 /nfs/dbraw/zinc/39/21/49/633392149.db2.gz YKNVYJBPFULMER-QGZVFWFLSA-N 1 2 299.805 3.411 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000826861826 633438306 /nfs/dbraw/zinc/43/83/06/633438306.db2.gz KWFUQMWWVJOGFK-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000826861826 633438309 /nfs/dbraw/zinc/43/83/09/633438309.db2.gz KWFUQMWWVJOGFK-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO Cc1ccc(N(CCC#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845320128 636022320 /nfs/dbraw/zinc/02/23/20/636022320.db2.gz LCQMCSGAQALCHH-HNNXBMFYSA-N 1 2 296.374 3.090 20 30 CGEDLO C=CCCc1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182771 634081675 /nfs/dbraw/zinc/08/16/75/634081675.db2.gz QGHPEMHVFUUJKJ-LBPRGKRZSA-N 1 2 297.280 3.255 20 30 CGEDLO CSc1nnc(SC)n1[NH+]=C[C@@H](C)c1ccccc1 ZINC000872417027 634140267 /nfs/dbraw/zinc/14/02/67/634140267.db2.gz HOHOKSREVMUILT-SNVBAGLBSA-N 1 2 292.433 3.360 20 30 CGEDLO C#Cc1cccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000834902285 634279340 /nfs/dbraw/zinc/27/93/40/634279340.db2.gz GSJCSBMTECUANZ-KRWDZBQOSA-N 1 2 294.402 3.197 20 30 CGEDLO Fc1ccc(N[NH2+]C=C2CC2(F)F)c(F)c1F ZINC000834983355 634303775 /nfs/dbraw/zinc/30/37/75/634303775.db2.gz WQJPVPMKFUYIKJ-YFKPBYRVSA-N 1 2 250.170 3.157 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(OC(F)F)cc2F)CCC1 ZINC000877594534 635105714 /nfs/dbraw/zinc/10/57/14/635105714.db2.gz HOOSCXQNCOUCND-UHFFFAOYSA-N 1 2 284.281 3.211 20 30 CGEDLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328244 635760876 /nfs/dbraw/zinc/76/08/76/635760876.db2.gz ZEFBYWXUXWVFGP-ABAIWWIYSA-N 1 2 278.783 3.211 20 30 CGEDLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879328244 635760884 /nfs/dbraw/zinc/76/08/84/635760884.db2.gz ZEFBYWXUXWVFGP-ABAIWWIYSA-N 1 2 278.783 3.211 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000846010754 636129220 /nfs/dbraw/zinc/12/92/20/636129220.db2.gz OPTFCQRAOBDZMG-UHFFFAOYSA-N 1 2 293.754 3.422 20 30 CGEDLO N#CCCC[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846920474 636283038 /nfs/dbraw/zinc/28/30/38/636283038.db2.gz IQKGZTSXFBFFOK-CQSZACIVSA-N 1 2 272.377 3.063 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H]1CCCOC1 ZINC000883352724 636694624 /nfs/dbraw/zinc/69/46/24/636694624.db2.gz GVWMXKWSPMUKPL-NOLJZWGESA-N 1 2 288.391 3.120 20 30 CGEDLO CC[N@H+](C[C@H](C)COCc1ccccc1)[C@H](C)C#N ZINC000886284390 637483997 /nfs/dbraw/zinc/48/39/97/637483997.db2.gz WBIOUZBZVGTEKM-LSDHHAIUSA-N 1 2 260.381 3.073 20 30 CGEDLO CC[N@@H+](C[C@H](C)COCc1ccccc1)[C@H](C)C#N ZINC000886284390 637484000 /nfs/dbraw/zinc/48/40/00/637484000.db2.gz WBIOUZBZVGTEKM-LSDHHAIUSA-N 1 2 260.381 3.073 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)n1 ZINC000852320546 637634601 /nfs/dbraw/zinc/63/46/01/637634601.db2.gz LYRYZBSCKOYHAP-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)n1 ZINC000852320546 637634602 /nfs/dbraw/zinc/63/46/02/637634602.db2.gz LYRYZBSCKOYHAP-GFCCVEGCSA-N 1 2 263.772 3.169 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC2SCCS2)c(O)c1 ZINC000852997926 637727747 /nfs/dbraw/zinc/72/77/47/637727747.db2.gz FCWKBZGPGSLDJW-GDNBJRDFSA-N 1 2 297.445 3.406 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCC[C@@H]1CCOC1 ZINC000853674622 637889408 /nfs/dbraw/zinc/88/94/08/637889408.db2.gz FZBIEYBLHWUHHM-OAHLLOKOSA-N 1 2 288.391 3.102 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(C#N)c1O ZINC000925218848 638477983 /nfs/dbraw/zinc/47/79/83/638477983.db2.gz QCIROEMCCRMKSA-TZMCWYRMSA-N 1 2 276.405 3.200 20 30 CGEDLO CCCCCCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857890002 638594136 /nfs/dbraw/zinc/59/41/36/638594136.db2.gz LCFSWNNFINLINN-CQSZACIVSA-N 1 2 277.412 3.065 20 30 CGEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000858383049 638698994 /nfs/dbraw/zinc/69/89/94/638698994.db2.gz VLWOFRZQOJECEU-LBPRGKRZSA-N 1 2 275.783 3.490 20 30 CGEDLO CC[C@@H]([NH2+]CC1SCCS1)c1cccc(C#N)c1O ZINC000926725553 638804166 /nfs/dbraw/zinc/80/41/66/638804166.db2.gz KGAOWHAAFSYODF-GFCCVEGCSA-N 1 2 294.445 3.111 20 30 CGEDLO C=CCC1(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000927082965 638839254 /nfs/dbraw/zinc/83/92/54/638839254.db2.gz IJSRMTSMZZOADS-UHFFFAOYSA-N 1 2 299.418 3.231 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)no1 ZINC000929258436 638912602 /nfs/dbraw/zinc/91/26/02/638912602.db2.gz ZMFORVVMEJANDH-UHFFFAOYSA-N 1 2 269.348 3.104 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2c(C)cc(C#N)cc2C)no1 ZINC000929258436 638912606 /nfs/dbraw/zinc/91/26/06/638912606.db2.gz ZMFORVVMEJANDH-UHFFFAOYSA-N 1 2 269.348 3.104 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929690815 638941565 /nfs/dbraw/zinc/94/15/65/638941565.db2.gz WFVJIJRBOJYQOG-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929690815 638941566 /nfs/dbraw/zinc/94/15/66/638941566.db2.gz WFVJIJRBOJYQOG-LBPRGKRZSA-N 1 2 281.334 3.212 20 30 CGEDLO C#CC[C@@H](CCOC)Nc1cc[nH+]c2c(OC)cccc12 ZINC000858855561 639030699 /nfs/dbraw/zinc/03/06/99/639030699.db2.gz BTUGIVBRGKVUFH-ZDUSSCGKSA-N 1 2 284.359 3.084 20 30 CGEDLO Cc1noc([C@H](C)[N@H+](C)Cc2c(C)cc(C#N)cc2C)n1 ZINC000930889547 639082837 /nfs/dbraw/zinc/08/28/37/639082837.db2.gz SEQNZSUSKQLRDV-LBPRGKRZSA-N 1 2 284.363 3.060 20 30 CGEDLO Cc1noc([C@H](C)[N@@H+](C)Cc2c(C)cc(C#N)cc2C)n1 ZINC000930889547 639082845 /nfs/dbraw/zinc/08/28/45/639082845.db2.gz SEQNZSUSKQLRDV-LBPRGKRZSA-N 1 2 284.363 3.060 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930967759 639092829 /nfs/dbraw/zinc/09/28/29/639092829.db2.gz NRXUDTXEVOSQKZ-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930967759 639092835 /nfs/dbraw/zinc/09/28/35/639092835.db2.gz NRXUDTXEVOSQKZ-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccoc2)n1)C(C)C ZINC000932392245 639323904 /nfs/dbraw/zinc/32/39/04/639323904.db2.gz DTGHVWLMRBVEAF-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccoc2)n1)C(C)C ZINC000932392245 639323905 /nfs/dbraw/zinc/32/39/05/639323905.db2.gz DTGHVWLMRBVEAF-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1ncn(-c2ccccc2)n1 ZINC000934647192 639648417 /nfs/dbraw/zinc/64/84/17/639648417.db2.gz UTTNQWFDQDCZJJ-UHFFFAOYSA-N 1 2 270.380 3.055 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1ncn(-c2ccccc2)n1 ZINC000934647192 639648424 /nfs/dbraw/zinc/64/84/24/639648424.db2.gz UTTNQWFDQDCZJJ-UHFFFAOYSA-N 1 2 270.380 3.055 20 30 CGEDLO C#Cc1cccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000303187753 640827412 /nfs/dbraw/zinc/82/74/12/640827412.db2.gz LOUVFPKVIMWDKH-UHFFFAOYSA-N 1 2 280.371 3.325 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016311399 640993808 /nfs/dbraw/zinc/99/38/08/640993808.db2.gz SKMGLLKVGJFBKS-HOCLYGCPSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016311399 640993810 /nfs/dbraw/zinc/99/38/10/640993810.db2.gz SKMGLLKVGJFBKS-HOCLYGCPSA-N 1 2 296.842 3.066 20 30 CGEDLO CSCc1cc[nH+]c(NCCc2ccc(C#N)cc2)c1 ZINC001156837213 805740372 /nfs/dbraw/zinc/74/03/72/805740372.db2.gz SFMFSZHMEVEUQP-UHFFFAOYSA-N 1 2 283.400 3.471 20 30 CGEDLO N#CCC[N@@H+](C[C@H](O)C(F)(F)F)C1CCCCCCC1 ZINC001250972059 805812634 /nfs/dbraw/zinc/81/26/34/805812634.db2.gz ZORQTMLBYUPYJJ-ZDUSSCGKSA-N 1 2 292.345 3.238 20 30 CGEDLO N#CCC[N@H+](C[C@H](O)C(F)(F)F)C1CCCCCCC1 ZINC001250972059 805812641 /nfs/dbraw/zinc/81/26/41/805812641.db2.gz ZORQTMLBYUPYJJ-ZDUSSCGKSA-N 1 2 292.345 3.238 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC001251861360 805945988 /nfs/dbraw/zinc/94/59/88/805945988.db2.gz CQJQHQRMCICQCL-UHFFFAOYSA-N 1 2 289.423 3.490 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCCc3cncs3)c2c1 ZINC001158883901 806016892 /nfs/dbraw/zinc/01/68/92/806016892.db2.gz WIGNWVHKAFTJDV-UHFFFAOYSA-N 1 2 280.356 3.218 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1cc[nH+]c(OC)c1 ZINC001253232927 806187348 /nfs/dbraw/zinc/18/73/48/806187348.db2.gz WYHWKFMVEYBXLX-HNNXBMFYSA-N 1 2 278.396 3.390 20 30 CGEDLO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001253246777 806193518 /nfs/dbraw/zinc/19/35/18/806193518.db2.gz CKTOQZSOHJJOTQ-CVEARBPZSA-N 1 2 299.455 3.051 20 30 CGEDLO C=CCCCCCC[C@H](O)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC001253248636 806195040 /nfs/dbraw/zinc/19/50/40/806195040.db2.gz YVEAWXNYDRRABG-JYJNAYRXSA-N 1 2 299.455 3.051 20 30 CGEDLO Cc1c[nH+]c(NCCc2cc(F)cc(F)c2)c(/C=N/O)c1 ZINC001160570355 806285027 /nfs/dbraw/zinc/28/50/27/806285027.db2.gz XERAJLSBLWSOND-AWQFTUOYSA-N 1 2 291.301 3.131 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1N[C@H](C#N)c1ccccc1 ZINC001161718598 806431845 /nfs/dbraw/zinc/43/18/45/806431845.db2.gz QGUBIRYNRDJDHA-CQSZACIVSA-N 1 2 262.316 3.320 20 30 CGEDLO CCCC[C@](CC)([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OCC ZINC001254645206 806470098 /nfs/dbraw/zinc/47/00/98/806470098.db2.gz AWSNVGMNTWPTOG-LZWOXQAQSA-N 1 2 280.412 3.170 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166210 806562867 /nfs/dbraw/zinc/56/28/67/806562867.db2.gz HPAHISLLJBMAET-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001255166210 806562874 /nfs/dbraw/zinc/56/28/74/806562874.db2.gz HPAHISLLJBMAET-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001255177534 806570417 /nfs/dbraw/zinc/57/04/17/806570417.db2.gz UIBNSQHFTRIHRJ-CQSZACIVSA-N 1 2 282.387 3.299 20 30 CGEDLO CC(C)C[C@](C)(C#N)Nc1cc(-n2cc[nH+]c2)ccn1 ZINC001162519238 806606622 /nfs/dbraw/zinc/60/66/22/806606622.db2.gz CJZNEIKXGQXZJR-OAHLLOKOSA-N 1 2 269.352 3.008 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255870999 806776993 /nfs/dbraw/zinc/77/69/93/806776993.db2.gz RSWXITZOKUZASV-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255870999 806776995 /nfs/dbraw/zinc/77/69/95/806776995.db2.gz RSWXITZOKUZASV-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255870999 806777001 /nfs/dbraw/zinc/77/70/01/806777001.db2.gz RSWXITZOKUZASV-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255870999 806777006 /nfs/dbraw/zinc/77/70/06/806777006.db2.gz RSWXITZOKUZASV-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC001255919579 806788599 /nfs/dbraw/zinc/78/85/99/806788599.db2.gz NYDNJEZRJXRKHL-KBPBESRZSA-N 1 2 275.396 3.037 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001031446228 800910235 /nfs/dbraw/zinc/91/02/35/800910235.db2.gz QUJSKYDQZLDZOP-AWEZNQCLSA-N 1 2 286.419 3.190 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071317696 801528772 /nfs/dbraw/zinc/52/87/72/801528772.db2.gz XINOXUNBCNKPMO-HIFRSBDPSA-N 1 2 292.810 3.022 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071317696 801528778 /nfs/dbraw/zinc/52/87/78/801528778.db2.gz XINOXUNBCNKPMO-HIFRSBDPSA-N 1 2 292.810 3.022 20 30 CGEDLO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1scc(C)c1Cl ZINC001085614554 801699158 /nfs/dbraw/zinc/69/91/58/801699158.db2.gz QKPYOJLGSYVWGO-LLVKDONJSA-N 1 2 298.839 3.042 20 30 CGEDLO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1scc(C)c1Cl ZINC001085614554 801699163 /nfs/dbraw/zinc/69/91/63/801699163.db2.gz QKPYOJLGSYVWGO-LLVKDONJSA-N 1 2 298.839 3.042 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109634066 802120396 /nfs/dbraw/zinc/12/03/96/802120396.db2.gz BGMIAAMPPHHAPI-KBXIAJHMSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109634066 802120399 /nfs/dbraw/zinc/12/03/99/802120399.db2.gz BGMIAAMPPHHAPI-KBXIAJHMSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001113662768 802231244 /nfs/dbraw/zinc/23/12/44/802231244.db2.gz IDDQYZJLRJUPRC-UHFFFAOYSA-N 1 2 280.456 3.313 20 30 CGEDLO Cc1c[nH+]c2ccccc2c1N1CCC[C@H](C#N)C1 ZINC001120059157 802731278 /nfs/dbraw/zinc/73/12/78/802731278.db2.gz GAZLALSWZLULDQ-CYBMUJFWSA-N 1 2 251.333 3.283 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=C)Cl)C1 ZINC001132064697 803370780 /nfs/dbraw/zinc/37/07/80/803370780.db2.gz MUYDOGSRDKNTJN-UONOGXRCSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)Cl)C1 ZINC001132064697 803370787 /nfs/dbraw/zinc/37/07/87/803370787.db2.gz MUYDOGSRDKNTJN-UONOGXRCSA-N 1 2 284.831 3.064 20 30 CGEDLO Cc1cn2c(cccc2-c2cc(C#N)ccc2F)[nH+]1 ZINC001244556563 803437003 /nfs/dbraw/zinc/43/70/03/803437003.db2.gz FQOOFYFJQHKFKN-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO C=C/C(=[NH+]\COC)c1cc(F)cc(N(CC)CC)c1 ZINC001244822030 803537033 /nfs/dbraw/zinc/53/70/33/803537033.db2.gz DUTWBJOQASEBKW-BMRADRMJSA-N 1 2 264.344 3.251 20 30 CGEDLO Cc1cc(-c2cc(OC(F)F)ccc2C#N)c[nH+]c1N ZINC001245538835 803796960 /nfs/dbraw/zinc/79/69/60/803796960.db2.gz IHDAKPOOYDWXCQ-UHFFFAOYSA-N 1 2 275.258 3.112 20 30 CGEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](F)C3)cn2)cc1 ZINC001139425857 804188131 /nfs/dbraw/zinc/18/81/31/804188131.db2.gz GVLMQMSACYENEK-OAHLLOKOSA-N 1 2 297.333 3.289 20 30 CGEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](F)C3)cn2)cc1 ZINC001139425857 804188133 /nfs/dbraw/zinc/18/81/33/804188133.db2.gz GVLMQMSACYENEK-OAHLLOKOSA-N 1 2 297.333 3.289 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873177 804304624 /nfs/dbraw/zinc/30/46/24/804304624.db2.gz DGNUUCTYMACLFX-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873177 804304634 /nfs/dbraw/zinc/30/46/34/804304634.db2.gz DGNUUCTYMACLFX-CQSZACIVSA-N 1 2 250.292 3.021 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(-c2ccccn2)cc1 ZINC001140377728 804425114 /nfs/dbraw/zinc/42/51/14/804425114.db2.gz VXCWNSADYQOPJA-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(-c2ccccn2)cc1 ZINC001140377728 804425118 /nfs/dbraw/zinc/42/51/18/804425118.db2.gz VXCWNSADYQOPJA-UHFFFAOYSA-N 1 2 251.333 3.094 20 30 CGEDLO C[N@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140599975 804471902 /nfs/dbraw/zinc/47/19/02/804471902.db2.gz YLHRCBOIOSPEHW-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140599975 804471906 /nfs/dbraw/zinc/47/19/06/804471906.db2.gz YLHRCBOIOSPEHW-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO Cc1ccc(Br)cc1C[NH+]1CC(CC#N)C1 ZINC001140646304 804484079 /nfs/dbraw/zinc/48/40/79/804484079.db2.gz XZTXEHWJVDFBHK-UHFFFAOYSA-N 1 2 279.181 3.103 20 30 CGEDLO Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001140963978 804560559 /nfs/dbraw/zinc/56/05/59/804560559.db2.gz OVBQQCZAJGAFKO-NSHDSACASA-N 1 2 284.281 3.239 20 30 CGEDLO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001140963978 804560562 /nfs/dbraw/zinc/56/05/62/804560562.db2.gz OVBQQCZAJGAFKO-NSHDSACASA-N 1 2 284.281 3.239 20 30 CGEDLO N#Cc1c(N)sc(C[N@@H+]2CCCC[C@@H](F)C2)c1Cl ZINC001141107107 804590778 /nfs/dbraw/zinc/59/07/78/804590778.db2.gz PYQIDKRFAFWWHJ-MRVPVSSYSA-N 1 2 287.791 3.179 20 30 CGEDLO N#Cc1c(N)sc(C[N@H+]2CCCC[C@@H](F)C2)c1Cl ZINC001141107107 804590782 /nfs/dbraw/zinc/59/07/82/804590782.db2.gz PYQIDKRFAFWWHJ-MRVPVSSYSA-N 1 2 287.791 3.179 20 30 CGEDLO N#Cc1c(N)sc(C[NH+]2CCC(F)(F)CC2)c1Cl ZINC001141109454 804592125 /nfs/dbraw/zinc/59/21/25/804592125.db2.gz RISVWLYVFUTKMN-UHFFFAOYSA-N 1 2 291.754 3.086 20 30 CGEDLO CSc1nc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1C#N ZINC001141931813 804680154 /nfs/dbraw/zinc/68/01/54/804680154.db2.gz MMVCLQDUOFPPSO-SNVBAGLBSA-N 1 2 297.374 3.152 20 30 CGEDLO CSc1nc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1C#N ZINC001141931813 804680159 /nfs/dbraw/zinc/68/01/59/804680159.db2.gz MMVCLQDUOFPPSO-SNVBAGLBSA-N 1 2 297.374 3.152 20 30 CGEDLO C=CCCCNC(=S)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001247691153 804797057 /nfs/dbraw/zinc/79/70/57/804797057.db2.gz VHRUYAANSUSOLW-UHFFFAOYSA-N 1 2 286.404 3.125 20 30 CGEDLO CCOc1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC001143575136 804868071 /nfs/dbraw/zinc/86/80/71/804868071.db2.gz PJGBSIMAVHKGMS-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC001143575136 804868079 /nfs/dbraw/zinc/86/80/79/804868079.db2.gz PJGBSIMAVHKGMS-LBPRGKRZSA-N 1 2 294.345 3.489 20 30 CGEDLO CC(C)(C)c1c[nH]c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001249476867 805156430 /nfs/dbraw/zinc/15/64/30/805156430.db2.gz JKJFZEXTVXKQNC-AWEZNQCLSA-N 1 2 290.432 3.086 20 30 CGEDLO CC(C)(C)c1c[nH]c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001249476867 805156432 /nfs/dbraw/zinc/15/64/32/805156432.db2.gz JKJFZEXTVXKQNC-AWEZNQCLSA-N 1 2 290.432 3.086 20 30 CGEDLO C=C[C@@H](C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccccc1 ZINC001152012189 805331001 /nfs/dbraw/zinc/33/10/01/805331001.db2.gz CENNGBZZGAANBB-OAHLLOKOSA-N 1 2 295.386 3.364 20 30 CGEDLO Cc1ccc(Nc2ccc(OCC#N)cc2)c(C)[nH+]1 ZINC001212604406 815082955 /nfs/dbraw/zinc/08/29/55/815082955.db2.gz BIIGVUNRGDWYPV-UHFFFAOYSA-N 1 2 253.305 3.344 20 30 CGEDLO C#C[C@H]1CCCN(c2cc(C)c3cc(OC)ccc3[nH+]2)C1 ZINC001167006128 807127602 /nfs/dbraw/zinc/12/76/02/807127602.db2.gz PFPGTYOFZVDHNS-AWEZNQCLSA-N 1 2 280.371 3.401 20 30 CGEDLO N#Cc1ccc(-c2ccc(NCc3cc[nH+]c(N)c3)cc2)o1 ZINC001167616478 807215777 /nfs/dbraw/zinc/21/57/77/807215777.db2.gz JFHDSVWFPMGJFV-UHFFFAOYSA-N 1 2 290.326 3.408 20 30 CGEDLO Cc1cc(NCc2ccccc2C#N)cc(OC(F)F)[nH+]1 ZINC001167637232 807222499 /nfs/dbraw/zinc/22/24/99/807222499.db2.gz NIGICGUIKBWFGO-UHFFFAOYSA-N 1 2 289.285 3.475 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001167744961 807238876 /nfs/dbraw/zinc/23/88/76/807238876.db2.gz WOQDOEPLZBCCBZ-UHFFFAOYSA-N 1 2 299.374 3.053 20 30 CGEDLO C[C@@H](CNc1ccc(CC#N)c[nH+]1)c1ccc(O)cc1 ZINC001169532021 807656087 /nfs/dbraw/zinc/65/60/87/807656087.db2.gz FDUZVFDSQPTUMC-LBPRGKRZSA-N 1 2 267.332 3.069 20 30 CGEDLO CC1(C)CC(=O)C=C(Nc2ccn3cc[nH+]c3c2)C1 ZINC001169951845 807729452 /nfs/dbraw/zinc/72/94/52/807729452.db2.gz PNEOQCAQHYFHSL-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO N#Cc1ccc(CNc2ccc(-n3cccc3)c[nH+]2)cc1F ZINC001170090729 807755229 /nfs/dbraw/zinc/75/52/29/807755229.db2.gz NRXIKCZZBPSLHB-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO CC(C)(S)C[NH2+]c1ccc2c(c1)C1(CN2)CCOCC1 ZINC001170305921 807823379 /nfs/dbraw/zinc/82/33/79/807823379.db2.gz HMEYMWMZAFUPLT-UHFFFAOYSA-N 1 2 292.448 3.281 20 30 CGEDLO CCCCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001170582897 807859084 /nfs/dbraw/zinc/85/90/84/807859084.db2.gz YJGMMGRRZNORHG-OLZOCXBDSA-N 1 2 275.458 3.187 20 30 CGEDLO [NH2+]=C(Nc1ccc2c(c1)CCO2)c1ccc2ccccc2n1 ZINC001171046503 807970528 /nfs/dbraw/zinc/97/05/28/807970528.db2.gz RKEDGGBJXAPKDH-UHFFFAOYSA-N 1 2 289.338 3.207 20 30 CGEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OCC)[C@@H](C)O ZINC001172352018 808249765 /nfs/dbraw/zinc/24/97/65/808249765.db2.gz YBNXCWDTYYERQM-RBSFLKMASA-N 1 2 287.444 3.028 20 30 CGEDLO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172359782 808253718 /nfs/dbraw/zinc/25/37/18/808253718.db2.gz DBVKHXZISGRJDQ-IHRRRGAJSA-N 1 2 253.386 3.125 20 30 CGEDLO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001172359782 808253721 /nfs/dbraw/zinc/25/37/21/808253721.db2.gz DBVKHXZISGRJDQ-IHRRRGAJSA-N 1 2 253.386 3.125 20 30 CGEDLO CCCCCCCC[C@H](CC)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001172504391 808361036 /nfs/dbraw/zinc/36/10/36/808361036.db2.gz FGCJPAXTISLBGK-RDJZCZTQSA-N 1 2 299.455 3.437 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001172561684 808388215 /nfs/dbraw/zinc/38/82/15/808388215.db2.gz XXCJLTJMEWNZAZ-VXNCWWDNSA-N 1 2 299.414 3.420 20 30 CGEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172842112 808457337 /nfs/dbraw/zinc/45/73/37/808457337.db2.gz IVVGVFNUJLZOGG-QGZVFWFLSA-N 1 2 256.393 3.478 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172842112 808457342 /nfs/dbraw/zinc/45/73/42/808457342.db2.gz IVVGVFNUJLZOGG-QGZVFWFLSA-N 1 2 256.393 3.478 20 30 CGEDLO CCC(C#N)(CC)[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172964219 808495974 /nfs/dbraw/zinc/49/59/74/808495974.db2.gz OLVRGUJDQURLGZ-ZDUSSCGKSA-N 1 2 297.443 3.304 20 30 CGEDLO CCOC(=O)[C@@H]1CC12CCC([NH2+]C(C#N)(CC)CC)CC2 ZINC001173609535 808652209 /nfs/dbraw/zinc/65/22/09/808652209.db2.gz VEESQFCTCSONBN-BBBYJDLNSA-N 1 2 292.423 3.170 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001269307061 808668048 /nfs/dbraw/zinc/66/80/48/808668048.db2.gz MYOXOJQCZKVSBV-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001269307061 808668052 /nfs/dbraw/zinc/66/80/52/808668052.db2.gz MYOXOJQCZKVSBV-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)c(Cl)c2F)cc[nH+]1 ZINC001213198711 815253032 /nfs/dbraw/zinc/25/30/32/815253032.db2.gz NJNAPGFJNHUCRV-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)CCCC)C1 ZINC001278388308 809129748 /nfs/dbraw/zinc/12/97/48/809129748.db2.gz JKYIOKJIGJUQGZ-DOMZBBRYSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)CCCC)C1 ZINC001278388308 809129749 /nfs/dbraw/zinc/12/97/49/809129749.db2.gz JKYIOKJIGJUQGZ-DOMZBBRYSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)CCCC)C1 ZINC001278388314 809129887 /nfs/dbraw/zinc/12/98/87/809129887.db2.gz JKYIOKJIGJUQGZ-WFASDCNBSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)CCCC)C1 ZINC001278388314 809129892 /nfs/dbraw/zinc/12/98/92/809129892.db2.gz JKYIOKJIGJUQGZ-WFASDCNBSA-N 1 2 286.847 3.146 20 30 CGEDLO N#Cc1ccc(Nc2cccc(C3CC3)[nH+]2)c(N)c1 ZINC001213354187 815268471 /nfs/dbraw/zinc/26/84/71/815268471.db2.gz YKYJCVUJICEOON-UHFFFAOYSA-N 1 2 250.305 3.156 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)c1coc(C)c1)C(C)C ZINC001284530955 809307697 /nfs/dbraw/zinc/30/76/97/809307697.db2.gz WPVKRRBMNACEIL-UHFFFAOYSA-N 1 2 298.814 3.123 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)c1coc(C)c1)C(C)C ZINC001284530955 809307703 /nfs/dbraw/zinc/30/77/03/809307703.db2.gz WPVKRRBMNACEIL-UHFFFAOYSA-N 1 2 298.814 3.123 20 30 CGEDLO Cc1nc(C#N)ccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175707166 809516195 /nfs/dbraw/zinc/51/61/95/809516195.db2.gz YBCFQHSKCSWLDJ-UHFFFAOYSA-N 1 2 293.252 3.001 20 30 CGEDLO COc1cccc(Nc2c[nH+]cc(C)c2C)c1C#N ZINC001213532566 815301801 /nfs/dbraw/zinc/30/18/01/815301801.db2.gz OSGNMJPJNPFVJO-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C#Cc1cc(Nc2cccc(OC(F)(F)F)c2)cc[nH+]1 ZINC001176535336 809711595 /nfs/dbraw/zinc/71/15/95/809711595.db2.gz LGQCUQVTYCLVOD-UHFFFAOYSA-N 1 2 278.233 3.127 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(F)cc1C)c1ccc(F)cc1 ZINC001182020008 810090421 /nfs/dbraw/zinc/09/04/21/810090421.db2.gz FEDQPWYCDZALAI-OAHLLOKOSA-N 1 2 272.298 3.132 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]C[C@H](CC)c1ccccc1)C(=O)OC ZINC001183314114 810144340 /nfs/dbraw/zinc/14/43/40/810144340.db2.gz WZBWUTQWYOKYOJ-GOEBONIOSA-N 1 2 275.392 3.278 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]CCc1cccc(Cl)c1)C(=O)OCC ZINC001183551080 810152195 /nfs/dbraw/zinc/15/21/95/810152195.db2.gz NJVJKPOGDMNWKM-OAHLLOKOSA-N 1 2 295.810 3.370 20 30 CGEDLO C#Cc1cc(Nc2ccc(F)cc2OCCC)cc[nH+]1 ZINC001214078186 815365505 /nfs/dbraw/zinc/36/55/05/815365505.db2.gz ILIHKGVPZKXFQJ-UHFFFAOYSA-N 1 2 270.307 3.156 20 30 CGEDLO C=CCCCC[NH2+]C1(C(=O)OCC)Cc2ccccc2C1 ZINC001191764641 810737616 /nfs/dbraw/zinc/73/76/16/810737616.db2.gz UQPBQIYMYQMXTF-UHFFFAOYSA-N 1 2 287.403 3.033 20 30 CGEDLO CCCCCCCCOC(=O)NCc1c[nH+]cn1C ZINC001194730304 811118275 /nfs/dbraw/zinc/11/82/75/811118275.db2.gz GJXZRBVTSMAZNY-UHFFFAOYSA-N 1 2 267.373 3.007 20 30 CGEDLO CCCCCCCCOC(=O)N1CCn2c[nH+]cc2C1 ZINC001194743394 811121236 /nfs/dbraw/zinc/12/12/36/811121236.db2.gz IOVZARRRJIUGBF-UHFFFAOYSA-N 1 2 279.384 3.196 20 30 CGEDLO C=CC1(CC(=O)N2CCC[N@@H+](CCF)CC2)CCCCC1 ZINC001197440887 811424700 /nfs/dbraw/zinc/42/47/00/811424700.db2.gz QHEUQSSFJLAZKX-UHFFFAOYSA-N 1 2 296.430 3.017 20 30 CGEDLO C=CC1(CC(=O)N2CCC[N@H+](CCF)CC2)CCCCC1 ZINC001197440887 811424705 /nfs/dbraw/zinc/42/47/05/811424705.db2.gz QHEUQSSFJLAZKX-UHFFFAOYSA-N 1 2 296.430 3.017 20 30 CGEDLO CCCCCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001201804868 811966327 /nfs/dbraw/zinc/96/63/27/811966327.db2.gz VYXMDZQPAVBRLH-ZDUSSCGKSA-N 1 2 263.372 3.439 20 30 CGEDLO CCCCCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001201804868 811966333 /nfs/dbraw/zinc/96/63/33/811966333.db2.gz VYXMDZQPAVBRLH-ZDUSSCGKSA-N 1 2 263.372 3.439 20 30 CGEDLO CCCCCCCC[NH+]1CCN(C(=O)C(F)(F)F)CC1 ZINC001201804518 811966638 /nfs/dbraw/zinc/96/66/38/811966638.db2.gz NNNXEHRNXKDKNJ-UHFFFAOYSA-N 1 2 294.361 3.053 20 30 CGEDLO COc1cccc(Nc2ccc(C)[nH+]c2C)c1C#N ZINC001203376727 812331465 /nfs/dbraw/zinc/33/14/65/812331465.db2.gz QFSVXICYFSOVNY-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C#Cc1cc(Nc2ccc(SC)cc2C)cc[nH+]1 ZINC001215473670 815522440 /nfs/dbraw/zinc/52/24/40/815522440.db2.gz LDHLUUAJHTYFOP-UHFFFAOYSA-N 1 2 254.358 3.259 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC001203656000 812417804 /nfs/dbraw/zinc/41/78/04/812417804.db2.gz GUOYKTLHNGGYPN-UHFFFAOYSA-N 1 2 289.342 3.499 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411842 813558906 /nfs/dbraw/zinc/55/89/06/813558906.db2.gz UHLKMYARQIPCBS-ZBFHGGJFSA-N 1 2 278.440 3.498 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207411842 813558910 /nfs/dbraw/zinc/55/89/10/813558910.db2.gz UHLKMYARQIPCBS-ZBFHGGJFSA-N 1 2 278.440 3.498 20 30 CGEDLO CC#CC[N@H+](C)Cc1c(C)ccc(Br)c1F ZINC001207715729 813639859 /nfs/dbraw/zinc/63/98/59/813639859.db2.gz MIOLEIWFHCAIRN-UHFFFAOYSA-N 1 2 284.172 3.352 20 30 CGEDLO CC#CC[N@@H+](C)Cc1c(C)ccc(Br)c1F ZINC001207715729 813639863 /nfs/dbraw/zinc/63/98/63/813639863.db2.gz MIOLEIWFHCAIRN-UHFFFAOYSA-N 1 2 284.172 3.352 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)CC1 ZINC001208178806 813729471 /nfs/dbraw/zinc/72/94/71/813729471.db2.gz XGFVOICMIZGUBL-MRXNPFEDSA-N 1 2 290.451 3.232 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)CC1 ZINC001208178806 813729473 /nfs/dbraw/zinc/72/94/73/813729473.db2.gz XGFVOICMIZGUBL-MRXNPFEDSA-N 1 2 290.451 3.232 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209281806 813993167 /nfs/dbraw/zinc/99/31/67/813993167.db2.gz IAGWYLBNUMKFGX-AWEZNQCLSA-N 1 2 282.309 3.483 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](CCc2ccccc2C(F)(F)F)C1 ZINC001209281806 813993171 /nfs/dbraw/zinc/99/31/71/813993171.db2.gz IAGWYLBNUMKFGX-AWEZNQCLSA-N 1 2 282.309 3.483 20 30 CGEDLO CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[C@H]1C#N ZINC001209353868 814003335 /nfs/dbraw/zinc/00/33/35/814003335.db2.gz WHHUPBIQMRCYHI-AWEZNQCLSA-N 1 2 295.427 3.059 20 30 CGEDLO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[C@H]1C#N ZINC001209353868 814003340 /nfs/dbraw/zinc/00/33/40/814003340.db2.gz WHHUPBIQMRCYHI-AWEZNQCLSA-N 1 2 295.427 3.059 20 30 CGEDLO C[C@@H]1CC(C[N@H+](CCC#N)Cc2cccnc2)C[C@@H](C)O1 ZINC001209378568 814007262 /nfs/dbraw/zinc/00/72/62/814007262.db2.gz BSFDHESPNOESDS-HUUCEWRRSA-N 1 2 287.407 3.001 20 30 CGEDLO C[C@@H]1CC(C[N@@H+](CCC#N)Cc2cccnc2)C[C@@H](C)O1 ZINC001209378568 814007270 /nfs/dbraw/zinc/00/72/70/814007270.db2.gz BSFDHESPNOESDS-HUUCEWRRSA-N 1 2 287.407 3.001 20 30 CGEDLO C=CCCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001209441096 814041098 /nfs/dbraw/zinc/04/10/98/814041098.db2.gz SLFUIXLTQSSHBJ-LBPRGKRZSA-N 1 2 265.319 3.386 20 30 CGEDLO C=CCCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001209441096 814041107 /nfs/dbraw/zinc/04/11/07/814041107.db2.gz SLFUIXLTQSSHBJ-LBPRGKRZSA-N 1 2 265.319 3.386 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209937255 814204980 /nfs/dbraw/zinc/20/49/80/814204980.db2.gz SDJHDWWPFCHXDK-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209937255 814204985 /nfs/dbraw/zinc/20/49/85/814204985.db2.gz SDJHDWWPFCHXDK-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO CCN(C)c1ccc(Nc2cccc(OC)c2C#N)c[nH+]1 ZINC001210121415 814298389 /nfs/dbraw/zinc/29/83/89/814298389.db2.gz ARJKKGWDHUZRTG-UHFFFAOYSA-N 1 2 282.347 3.162 20 30 CGEDLO CC(C)=CCCC1=CC[C@H](CN2CC[NH2+]C[C@H]2C#N)CC1 ZINC001210123118 814299416 /nfs/dbraw/zinc/29/94/16/814299416.db2.gz YVVWCGYIVWVPBC-ZWKOTPCHSA-N 1 2 287.451 3.257 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001242739197 823117071 /nfs/dbraw/zinc/11/70/71/823117071.db2.gz JDVPKGZSGBWOMI-LBPRGKRZSA-N 1 2 252.317 3.255 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cc(Cl)cc(C#N)c1 ZINC001210537684 814514169 /nfs/dbraw/zinc/51/41/69/814514169.db2.gz AXUUIMQUXCUCEC-UHFFFAOYSA-N 1 2 282.734 3.441 20 30 CGEDLO COc1cc(Nc2ccc(F)cc2C#N)cc(C)[nH+]1 ZINC001210552388 814522865 /nfs/dbraw/zinc/52/28/65/814522865.db2.gz ZDNMYALTRXUACL-UHFFFAOYSA-N 1 2 257.268 3.153 20 30 CGEDLO COc1cc(Nc2ccccc2CC#N)cc(C)[nH+]1 ZINC001210780092 814625984 /nfs/dbraw/zinc/62/59/84/814625984.db2.gz AFDQPGVPSQOAKA-UHFFFAOYSA-N 1 2 253.305 3.208 20 30 CGEDLO COc1cc(Nc2c(F)cc(C#N)cc2F)cc(C)[nH+]1 ZINC001210780543 814626303 /nfs/dbraw/zinc/62/63/03/814626303.db2.gz DOQBQZHHGWXAJX-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO CC#Cc1cncc(Nc2cc(C)[nH+]c(OCC)c2)c1 ZINC001211056550 814725309 /nfs/dbraw/zinc/72/53/09/814725309.db2.gz RURAKEPYXQJNDF-UHFFFAOYSA-N 1 2 267.332 3.299 20 30 CGEDLO N#CCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001224377878 816789590 /nfs/dbraw/zinc/78/95/90/816789590.db2.gz BHSYBHCMWISEHH-UHFFFAOYSA-N 1 2 278.355 3.000 20 30 CGEDLO C#C[C@@H](Oc1ccc2[nH]c(C)[nH+]c2c1)c1ccncc1 ZINC001228329871 817879185 /nfs/dbraw/zinc/87/91/85/817879185.db2.gz RQJSQIUBSMDTHA-MRXNPFEDSA-N 1 2 263.300 3.020 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231525150 818120832 /nfs/dbraw/zinc/12/08/32/818120832.db2.gz XORZPSKJVKTQRL-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231525150 818120836 /nfs/dbraw/zinc/12/08/36/818120836.db2.gz XORZPSKJVKTQRL-UHFFFAOYSA-N 1 2 272.270 3.147 20 30 CGEDLO Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001231800628 818178519 /nfs/dbraw/zinc/17/85/19/818178519.db2.gz JUAMJBHCGAIWRH-GOSISDBHSA-N 1 2 292.386 3.188 20 30 CGEDLO Cc1nc(-c2ccccc2)ncc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001231800628 818178523 /nfs/dbraw/zinc/17/85/23/818178523.db2.gz JUAMJBHCGAIWRH-GOSISDBHSA-N 1 2 292.386 3.188 20 30 CGEDLO CC(C)(C)Oc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001231805491 818180772 /nfs/dbraw/zinc/18/07/72/818180772.db2.gz NNQHWOMAQRTUEP-AWEZNQCLSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001231805491 818180775 /nfs/dbraw/zinc/18/07/75/818180775.db2.gz NNQHWOMAQRTUEP-AWEZNQCLSA-N 1 2 258.365 3.209 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc2ccnc(Cl)c2c1 ZINC001231974444 818219440 /nfs/dbraw/zinc/21/94/40/818219440.db2.gz CUARTLKACYIIAF-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc2ccnc(Cl)c2c1 ZINC001231974444 818219446 /nfs/dbraw/zinc/21/94/46/818219446.db2.gz CUARTLKACYIIAF-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO N#Cc1ccnc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001232481330 818367237 /nfs/dbraw/zinc/36/72/37/818367237.db2.gz ZWAXOLMEUXNJMY-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO N#Cc1ccnc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001232481330 818367239 /nfs/dbraw/zinc/36/72/39/818367239.db2.gz ZWAXOLMEUXNJMY-KRWDZBQOSA-N 1 2 295.411 3.243 20 30 CGEDLO CC[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1F ZINC001232925902 818475826 /nfs/dbraw/zinc/47/58/26/818475826.db2.gz RSMNMQGVYSXWIO-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO CC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1F ZINC001232925902 818475829 /nfs/dbraw/zinc/47/58/29/818475829.db2.gz RSMNMQGVYSXWIO-UHFFFAOYSA-N 1 2 269.323 3.114 20 30 CGEDLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233048084 818510188 /nfs/dbraw/zinc/51/01/88/818510188.db2.gz UWQQAGHPIZPACO-KRWDZBQOSA-N 1 2 281.359 3.232 20 30 CGEDLO COc1cccc([C@@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)c1 ZINC001233048084 818510194 /nfs/dbraw/zinc/51/01/94/818510194.db2.gz UWQQAGHPIZPACO-KRWDZBQOSA-N 1 2 281.359 3.232 20 30 CGEDLO Cc1cc(C#N)ccc1C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001233082170 818518945 /nfs/dbraw/zinc/51/89/45/818518945.db2.gz BSLOBFSJCGREGU-UHFFFAOYSA-N 1 2 296.345 3.269 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)c1ccccc1 ZINC001233082731 818521519 /nfs/dbraw/zinc/52/15/19/818521519.db2.gz VVXHWLSCEWHEDF-UHFFFAOYSA-N 1 2 278.355 3.181 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)c1ccccc1 ZINC001233082731 818521526 /nfs/dbraw/zinc/52/15/26/818521526.db2.gz VVXHWLSCEWHEDF-UHFFFAOYSA-N 1 2 278.355 3.181 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233415552 818613925 /nfs/dbraw/zinc/61/39/25/818613925.db2.gz AMVDABRTDFWJST-UHFFFAOYSA-N 1 2 284.281 3.147 20 30 CGEDLO CCCCN(CC#N)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234076470 818773107 /nfs/dbraw/zinc/77/31/07/818773107.db2.gz XRZJRWIJFVRWIO-UHFFFAOYSA-N 1 2 298.390 3.007 20 30 CGEDLO Cc1[nH]c(CN2CCC(C#N)(c3ccccc3)CC2)c(C)[nH+]1 ZINC001234600820 818889080 /nfs/dbraw/zinc/88/90/80/818889080.db2.gz HFSVXMOHLWBLIJ-UHFFFAOYSA-N 1 2 294.402 3.084 20 30 CGEDLO FC(F)(F)c1ncc(C[NH+]2CCC(S)CC2)s1 ZINC001237945221 819889578 /nfs/dbraw/zinc/88/95/78/819889578.db2.gz JPXKZZMQQKDGDF-UHFFFAOYSA-N 1 2 282.356 3.056 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238478988 820018114 /nfs/dbraw/zinc/01/81/14/820018114.db2.gz YKLCVHXVSXCYOG-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)c(F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238478988 820018123 /nfs/dbraw/zinc/01/81/23/820018123.db2.gz YKLCVHXVSXCYOG-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO N#CCOc1ccccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001243582317 823454202 /nfs/dbraw/zinc/45/42/02/823454202.db2.gz DXJWTKHSXOCRPM-UHFFFAOYSA-N 1 2 275.311 3.442 20 30 CGEDLO Cc1cc(-c2cc(F)c(C#N)c(F)c2)c2[nH+]ccn2c1 ZINC001239920372 820698869 /nfs/dbraw/zinc/69/88/69/820698869.db2.gz GLHIWLJAQNPTTA-UHFFFAOYSA-N 1 2 269.254 3.460 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(C#N)c(F)c2)cc1C#N ZINC001240156850 820863383 /nfs/dbraw/zinc/86/33/83/820863383.db2.gz HIBOUBMFNLHXQY-SRZZPIQSSA-N 1 2 292.317 3.457 20 30 CGEDLO N#Cc1c2c(cnc1-c1ccc3[nH+]ccn3c1)CCCC2 ZINC001240217653 820888963 /nfs/dbraw/zinc/88/89/63/820888963.db2.gz SZICFENUEDPOAT-UHFFFAOYSA-N 1 2 274.327 3.147 20 30 CGEDLO CC(C)c1ccc(C#N)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497272 821094668 /nfs/dbraw/zinc/09/46/68/821094668.db2.gz UIPLXZXFVHWSAH-UHFFFAOYSA-N 1 2 262.316 3.391 20 30 CGEDLO Cc1cnccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240611470 821186657 /nfs/dbraw/zinc/18/66/57/821186657.db2.gz KXLLZWSHJODFAR-YBFXNURJSA-N 1 2 264.332 3.150 20 30 CGEDLO N#Cc1cc2ccc(-c3cc[nH+]c(N)c3)cc2s1 ZINC001241161905 821608600 /nfs/dbraw/zinc/60/86/00/821608600.db2.gz ATXRNNVATOVMMT-UHFFFAOYSA-N 1 2 251.314 3.417 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)cc(C#N)c2)cc1C#N ZINC001241659430 822036548 /nfs/dbraw/zinc/03/65/48/822036548.db2.gz PTWNUWLHXKJUPB-SRZZPIQSSA-N 1 2 292.317 3.457 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1C1=CC(=O)CC(C)(C)C1 ZINC001242316847 822950102 /nfs/dbraw/zinc/95/01/02/822950102.db2.gz SZRODLXUZFSBNJ-UHFFFAOYSA-N 1 2 270.332 3.344 20 30 CGEDLO Cc1cc(C#N)ccc1-c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001242472467 823004345 /nfs/dbraw/zinc/00/43/45/823004345.db2.gz AXXAMXPZSWTUKB-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C=CC1CC[NH+](Cc2sncc2Br)CC1 ZINC001307472755 927243469 /nfs/dbraw/zinc/24/34/69/927243469.db2.gz LKMKDPCUSHEVTI-UHFFFAOYSA-N 1 2 287.226 3.304 20 30 CGEDLO CCCCCCCCCc1nnc(C[NH+](C)C)o1 ZINC001341626028 936445111 /nfs/dbraw/zinc/44/51/11/936445111.db2.gz FBGMFMDPAVPLIY-UHFFFAOYSA-N 1 2 253.390 3.424 20 30 CGEDLO C=C[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001346387477 936847180 /nfs/dbraw/zinc/84/71/80/936847180.db2.gz GSWNOACGTNLZTO-MRXNPFEDSA-N 1 2 295.386 3.086 20 30 CGEDLO C=CC[C@@H](C(=O)OCc1c[nH+]cn1CC)c1ccccc1 ZINC001350345069 936988378 /nfs/dbraw/zinc/98/83/78/936988378.db2.gz QDLMQCCHHWOYSK-MRXNPFEDSA-N 1 2 284.359 3.306 20 30 CGEDLO N#CCC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000430753708 927276132 /nfs/dbraw/zinc/27/61/32/927276132.db2.gz JCYYMSUOORWSEW-UHFFFAOYSA-N 1 2 264.756 3.132 20 30 CGEDLO CCCCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001356430665 937158576 /nfs/dbraw/zinc/15/85/76/937158576.db2.gz OPIQGOMVWAJHKY-UHFFFAOYSA-N 1 2 273.380 3.425 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)CCCCC)C1 ZINC001483882130 927641403 /nfs/dbraw/zinc/64/14/03/927641403.db2.gz XMTGZPWXPSNLON-HNNXBMFYSA-N 1 2 280.456 3.312 20 30 CGEDLO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)CC(=C)Cl)CCCC1 ZINC001485394397 927859783 /nfs/dbraw/zinc/85/97/83/927859783.db2.gz SRNNZOHRPLRQCW-AWEZNQCLSA-N 1 2 298.858 3.312 20 30 CGEDLO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)CC(=C)Cl)CCCC1 ZINC001485394397 927859795 /nfs/dbraw/zinc/85/97/95/927859795.db2.gz SRNNZOHRPLRQCW-AWEZNQCLSA-N 1 2 298.858 3.312 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC001308142666 928813392 /nfs/dbraw/zinc/81/33/92/928813392.db2.gz SFJYTWZXMJBNSY-GFCCVEGCSA-N 1 2 251.732 3.467 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC001308142666 928813403 /nfs/dbraw/zinc/81/34/03/928813403.db2.gz SFJYTWZXMJBNSY-GFCCVEGCSA-N 1 2 251.732 3.467 20 30 CGEDLO C#CC[N@@H+]([C@@H](C)C(=O)OCCC)[C@H]1CCCc2ccccc21 ZINC001460837578 937548139 /nfs/dbraw/zinc/54/81/39/937548139.db2.gz PNUXDGWHCPWZEY-YJBOKZPZSA-N 1 2 299.414 3.341 20 30 CGEDLO C#CC[N@H+]([C@@H](C)C(=O)OCCC)[C@H]1CCCc2ccccc21 ZINC001460837578 937548142 /nfs/dbraw/zinc/54/81/42/937548142.db2.gz PNUXDGWHCPWZEY-YJBOKZPZSA-N 1 2 299.414 3.341 20 30 CGEDLO C#C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccncc1 ZINC001231085861 932675981 /nfs/dbraw/zinc/67/59/81/932675981.db2.gz ZBXNOUBQSDAPQP-INIZCTEOSA-N 1 2 275.311 3.225 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc2cnccc2o1)c1ccc(F)cc1 ZINC001462275225 937629188 /nfs/dbraw/zinc/62/91/88/937629188.db2.gz GZLPTLDKZSAVGO-INIZCTEOSA-N 1 2 280.302 3.431 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cncc(Cl)c1 ZINC001308113824 933052260 /nfs/dbraw/zinc/05/22/60/933052260.db2.gz OKZZSASPHDGWEY-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cncc(Cl)c1 ZINC001308113824 933052265 /nfs/dbraw/zinc/05/22/65/933052265.db2.gz OKZZSASPHDGWEY-UHFFFAOYSA-N 1 2 277.780 3.300 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001318363104 933714368 /nfs/dbraw/zinc/71/43/68/933714368.db2.gz KVRVBORKVZGFHN-HIFRSBDPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001318363104 933714373 /nfs/dbraw/zinc/71/43/73/933714373.db2.gz KVRVBORKVZGFHN-HIFRSBDPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CC[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OCC ZINC001321295787 934174218 /nfs/dbraw/zinc/17/42/18/934174218.db2.gz CPLNCTDWFDREPE-HOCLYGCPSA-N 1 2 275.392 3.278 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC001322107665 934245380 /nfs/dbraw/zinc/24/53/80/934245380.db2.gz ARTZXDFSQYENSX-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC001322107665 934245386 /nfs/dbraw/zinc/24/53/86/934245386.db2.gz ARTZXDFSQYENSX-CYBMUJFWSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(CC)CCCC1 ZINC001322274764 934269454 /nfs/dbraw/zinc/26/94/54/934269454.db2.gz QJXYYSVDPOXATI-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(CC)CCCC1 ZINC001322274764 934269463 /nfs/dbraw/zinc/26/94/63/934269463.db2.gz QJXYYSVDPOXATI-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCCCC(=O)N(C)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001323969929 934444849 /nfs/dbraw/zinc/44/48/49/934444849.db2.gz JODLGAPWMRWKDE-FMIVXFBMSA-N 1 2 298.430 3.199 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc(N)cc1Cl ZINC001324143434 934464060 /nfs/dbraw/zinc/46/40/60/934464060.db2.gz QEYURWRDTIEWIW-UHFFFAOYSA-N 1 2 260.728 3.072 20 30 CGEDLO CCc1cc(NCc2ccc(C#N)cc2F)nc(CC)[nH+]1 ZINC001472688278 937780666 /nfs/dbraw/zinc/78/06/66/937780666.db2.gz SNAYJHNQABXTRG-UHFFFAOYSA-N 1 2 284.338 3.224 20 30 CGEDLO Cc1csc(C2([NH2+]Cc3cc(C#N)ccn3)CCCC2)n1 ZINC001473258338 937799369 /nfs/dbraw/zinc/79/93/69/937799369.db2.gz PIYYUQNGUYWURX-UHFFFAOYSA-N 1 2 298.415 3.277 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC001473688375 937817454 /nfs/dbraw/zinc/81/74/54/937817454.db2.gz XPXNQOGSZFTNRO-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC001473688375 937817456 /nfs/dbraw/zinc/81/74/56/937817456.db2.gz XPXNQOGSZFTNRO-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO Cc1[nH]c(/C=C2/COc3c(C)ccc(C)c3C2=O)[nH+]c1C ZINC001332406236 935466634 /nfs/dbraw/zinc/46/66/34/935466634.db2.gz JYOIYZWXPWGPRE-QPEQYQDCSA-N 1 2 282.343 3.302 20 30 CGEDLO C[N@H+](Cc1ccc2cc[nH]c2c1)Cc1ccncc1C#N ZINC001473742260 937819648 /nfs/dbraw/zinc/81/96/48/937819648.db2.gz UQLGYJFWKOAKBP-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1ccncc1C#N ZINC001473742260 937819650 /nfs/dbraw/zinc/81/96/50/937819650.db2.gz UQLGYJFWKOAKBP-UHFFFAOYSA-N 1 2 276.343 3.067 20 30 CGEDLO CCOc1ccc(Cl)cc1C[NH2+][C@@H](C)CC#N ZINC001474251231 937846247 /nfs/dbraw/zinc/84/62/47/937846247.db2.gz TUSBTFDHATVEMB-JTQLQIEISA-N 1 2 252.745 3.130 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001494266796 937954070 /nfs/dbraw/zinc/95/40/70/937954070.db2.gz MLMACBXRJDMZGN-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001494266796 937954071 /nfs/dbraw/zinc/95/40/71/937954071.db2.gz MLMACBXRJDMZGN-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=CCC(CC=C)C(=O)N(C)C1C[NH+](Cc2ccccc2)C1 ZINC001499671810 937974209 /nfs/dbraw/zinc/97/42/09/937974209.db2.gz FCDJPOBJWOFXCY-UHFFFAOYSA-N 1 2 298.430 3.098 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001506036679 937989013 /nfs/dbraw/zinc/98/90/13/937989013.db2.gz PUSOZEJVLUAUGQ-OCCSQVGLSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1occc1C(C)C ZINC001505986147 937988339 /nfs/dbraw/zinc/98/83/39/937988339.db2.gz QOODJBODZJOKBS-GFCCVEGCSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1occc1C(C)C ZINC001505986147 937988340 /nfs/dbraw/zinc/98/83/40/937988340.db2.gz QOODJBODZJOKBS-GFCCVEGCSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001506036679 937989012 /nfs/dbraw/zinc/98/90/12/937989012.db2.gz PUSOZEJVLUAUGQ-OCCSQVGLSA-N 1 2 288.863 3.248 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC001559808027 938236268 /nfs/dbraw/zinc/23/62/68/938236268.db2.gz YWHVNAIXJAOFHY-QGZVFWFLSA-N 1 2 287.403 3.286 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC001559808027 938236269 /nfs/dbraw/zinc/23/62/69/938236269.db2.gz YWHVNAIXJAOFHY-QGZVFWFLSA-N 1 2 287.403 3.286 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC[C@H](C)C1 ZINC001559976484 938240546 /nfs/dbraw/zinc/24/05/46/938240546.db2.gz VIZCQJBPMSGHIW-LSDHHAIUSA-N 1 2 279.424 3.090 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCC[C@H](C)C1 ZINC001559976484 938240547 /nfs/dbraw/zinc/24/05/47/938240547.db2.gz VIZCQJBPMSGHIW-LSDHHAIUSA-N 1 2 279.424 3.090 20 30 CGEDLO CSc1cc[nH+]c(NCCc2ccc(C#N)cc2)c1 ZINC001156837607 958830263 /nfs/dbraw/zinc/83/02/63/958830263.db2.gz JDVDRUHJFRWHJV-UHFFFAOYSA-N 1 2 269.373 3.330 20 30 CGEDLO CC#Cc1cncc(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001211058483 958846482 /nfs/dbraw/zinc/84/64/82/958846482.db2.gz XZMIPJOXXUEUNQ-UHFFFAOYSA-N 1 2 274.327 3.382 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCC(C)C ZINC001570738440 962067473 /nfs/dbraw/zinc/06/74/73/962067473.db2.gz WZQSCUVJPPVGCI-ZDUSSCGKSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCC(C)C ZINC001570738440 962067488 /nfs/dbraw/zinc/06/74/88/962067488.db2.gz WZQSCUVJPPVGCI-ZDUSSCGKSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCC2(C)CC2)CC1 ZINC001571697781 962210943 /nfs/dbraw/zinc/21/09/43/962210943.db2.gz MSBYXAHMQXGUOI-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCC2(C)CC2)CC1 ZINC001571697781 962210944 /nfs/dbraw/zinc/21/09/44/962210944.db2.gz MSBYXAHMQXGUOI-UHFFFAOYSA-N 1 2 296.842 3.068 20 30 CGEDLO Cc1cc(CNC(=O)[C@H](CC#N)c2ccccc2)cc(C)[nH+]1 ZINC001585398359 963007338 /nfs/dbraw/zinc/00/73/38/963007338.db2.gz GYCUUFYFWRCODK-QGZVFWFLSA-N 1 2 293.370 3.012 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)nc1 ZINC000590754923 346871489 /nfs/dbraw/zinc/87/14/89/346871489.db2.gz SVXYASMUCQSBBU-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)nc1 ZINC000590754923 346871490 /nfs/dbraw/zinc/87/14/90/346871490.db2.gz SVXYASMUCQSBBU-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO N#Cc1csc(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000590969235 346891648 /nfs/dbraw/zinc/89/16/48/346891648.db2.gz YOFNCZFNZFESAN-UHFFFAOYSA-N 1 2 260.284 3.004 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)s1 ZINC000127099990 187282326 /nfs/dbraw/zinc/28/23/26/187282326.db2.gz ICKCZLBBMYYWSU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(F)c3C2)s1 ZINC000127099990 187282328 /nfs/dbraw/zinc/28/23/28/187282328.db2.gz ICKCZLBBMYYWSU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593123938 347043048 /nfs/dbraw/zinc/04/30/48/347043048.db2.gz HVMDVPLOWWFZPJ-IFXJQAMLSA-N 1 2 292.382 3.038 20 30 CGEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593123938 347043050 /nfs/dbraw/zinc/04/30/50/347043050.db2.gz HVMDVPLOWWFZPJ-IFXJQAMLSA-N 1 2 292.382 3.038 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1C#N ZINC000044438099 345010195 /nfs/dbraw/zinc/01/01/95/345010195.db2.gz QPFQBJNQMPNBKG-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1C#N ZINC000044438099 345010197 /nfs/dbraw/zinc/01/01/97/345010197.db2.gz QPFQBJNQMPNBKG-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)Cc1ccccc1 ZINC000045796846 345030659 /nfs/dbraw/zinc/03/06/59/345030659.db2.gz SRWCLFGXGQKMEQ-UHFFFAOYSA-N 1 2 285.391 3.456 20 30 CGEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)Cc1ccccc1 ZINC000045796846 345030663 /nfs/dbraw/zinc/03/06/63/345030663.db2.gz SRWCLFGXGQKMEQ-UHFFFAOYSA-N 1 2 285.391 3.456 20 30 CGEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000051709582 345092265 /nfs/dbraw/zinc/09/22/65/345092265.db2.gz UCTVDLQYIYZDPL-UHFFFAOYSA-N 1 2 291.725 3.481 20 30 CGEDLO C=C(Cl)C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000051709582 345092270 /nfs/dbraw/zinc/09/22/70/345092270.db2.gz UCTVDLQYIYZDPL-UHFFFAOYSA-N 1 2 291.725 3.481 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3cccc(F)c3C#N)cn2c1 ZINC000054836151 345139788 /nfs/dbraw/zinc/13/97/88/345139788.db2.gz YUTKKYAVBJWTAO-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065433025 345272082 /nfs/dbraw/zinc/27/20/82/345272082.db2.gz DHGPAVQDKMPRDR-CYBMUJFWSA-N 1 2 288.391 3.283 20 30 CGEDLO CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065433025 345272086 /nfs/dbraw/zinc/27/20/86/345272086.db2.gz DHGPAVQDKMPRDR-CYBMUJFWSA-N 1 2 288.391 3.283 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccoc1C(=O)OC ZINC000073021483 345427439 /nfs/dbraw/zinc/42/74/39/345427439.db2.gz JJVVVEDFDGDJPK-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccoc1C(=O)OC ZINC000073021483 345427440 /nfs/dbraw/zinc/42/74/40/345427440.db2.gz JJVVVEDFDGDJPK-UHFFFAOYSA-N 1 2 291.372 3.316 20 30 CGEDLO CCCCn1c(S[C@H](C)C#N)nnc1[C@H](CC)[NH+](C)C ZINC000078249466 345596154 /nfs/dbraw/zinc/59/61/54/345596154.db2.gz RYBJHGTYIZZDIH-NEPJUHHUSA-N 1 2 295.456 3.095 20 30 CGEDLO CC#CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000122648677 346006176 /nfs/dbraw/zinc/00/61/76/346006176.db2.gz AHJRADMZFXUAQB-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO CC#CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000122648677 346006182 /nfs/dbraw/zinc/00/61/82/346006182.db2.gz AHJRADMZFXUAQB-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc(Br)ccc1Cl ZINC000134970212 346084663 /nfs/dbraw/zinc/08/46/63/346084663.db2.gz DMZPWWRTIIOLMY-MRVPVSSYSA-N 1 2 287.588 3.494 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)cc1Br ZINC000134971662 346085131 /nfs/dbraw/zinc/08/51/31/346085131.db2.gz FGTFJRHXDQUXCT-MRVPVSSYSA-N 1 2 287.588 3.494 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154785170 346151414 /nfs/dbraw/zinc/15/14/14/346151414.db2.gz RLZWWMHWVXNUEF-UHFFFAOYSA-N 1 2 289.360 3.336 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154785170 346151418 /nfs/dbraw/zinc/15/14/18/346151418.db2.gz RLZWWMHWVXNUEF-UHFFFAOYSA-N 1 2 289.360 3.336 20 30 CGEDLO N#CC[N@H+](Cc1cccc2c1CCC2)C1CCCC1 ZINC000593577276 347091676 /nfs/dbraw/zinc/09/16/76/347091676.db2.gz FXFTVWTYRXRIEE-UHFFFAOYSA-N 1 2 254.377 3.443 20 30 CGEDLO N#CC[N@@H+](Cc1cccc2c1CCC2)C1CCCC1 ZINC000593577276 347091679 /nfs/dbraw/zinc/09/16/79/347091679.db2.gz FXFTVWTYRXRIEE-UHFFFAOYSA-N 1 2 254.377 3.443 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](CC)CO1 ZINC000403861237 346598347 /nfs/dbraw/zinc/59/83/47/346598347.db2.gz ZJNRQRLUSYVCNV-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](CC)CO1 ZINC000403861237 346598348 /nfs/dbraw/zinc/59/83/48/346598348.db2.gz ZJNRQRLUSYVCNV-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000405090226 346602871 /nfs/dbraw/zinc/60/28/71/346602871.db2.gz MJEMPHBTTCYBSA-MRXNPFEDSA-N 1 2 282.387 3.366 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000405090226 346602872 /nfs/dbraw/zinc/60/28/72/346602872.db2.gz MJEMPHBTTCYBSA-MRXNPFEDSA-N 1 2 282.387 3.366 20 30 CGEDLO C=CC1CCN(c2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000566479089 346662627 /nfs/dbraw/zinc/66/26/27/346662627.db2.gz USDQIQLZPYEONY-UHFFFAOYSA-N 1 2 273.380 3.073 20 30 CGEDLO C#C[C@H](CC)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000491695487 346629639 /nfs/dbraw/zinc/62/96/39/346629639.db2.gz CDSBQXVREFQVCG-CQSZACIVSA-N 1 2 280.327 3.016 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cn2ccccc2n1 ZINC000585726007 346727710 /nfs/dbraw/zinc/72/77/10/346727710.db2.gz HZSHBHZGHHVMBN-LBPRGKRZSA-N 1 2 294.333 3.196 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000584566492 346683326 /nfs/dbraw/zinc/68/33/26/346683326.db2.gz UBOLMRKKUNADNU-NSHDSACASA-N 1 2 278.783 3.378 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(C#N)cc1F ZINC000588301668 346759087 /nfs/dbraw/zinc/75/90/87/346759087.db2.gz BYFXBSRBWBUFRL-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)c(F)c1 ZINC000588934286 346776831 /nfs/dbraw/zinc/77/68/31/346776831.db2.gz OKSGRGZEWKSIJK-UHFFFAOYSA-N 1 2 268.282 3.365 20 30 CGEDLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000593725109 347108187 /nfs/dbraw/zinc/10/81/87/347108187.db2.gz KDJNDUHRKGLNQV-LBPRGKRZSA-N 1 2 267.332 3.273 20 30 CGEDLO N#CC[N@H+](CCc1noc2ccccc21)C1CCCC1 ZINC000593959985 347124034 /nfs/dbraw/zinc/12/40/34/347124034.db2.gz XXCFOUDOILXPGX-UHFFFAOYSA-N 1 2 269.348 3.138 20 30 CGEDLO N#CC[N@@H+](CCc1noc2ccccc21)C1CCCC1 ZINC000593959985 347124038 /nfs/dbraw/zinc/12/40/38/347124038.db2.gz XXCFOUDOILXPGX-UHFFFAOYSA-N 1 2 269.348 3.138 20 30 CGEDLO CC[N@@H+](Cc1cccc(F)c1OC(F)F)C[C@H](C)C#N ZINC000595298755 347289179 /nfs/dbraw/zinc/28/91/79/347289179.db2.gz SERTVNXHAOCMHI-SNVBAGLBSA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@H+](Cc1cccc(F)c1OC(F)F)C[C@H](C)C#N ZINC000595298755 347289184 /nfs/dbraw/zinc/28/91/84/347289184.db2.gz SERTVNXHAOCMHI-SNVBAGLBSA-N 1 2 286.297 3.409 20 30 CGEDLO N#C[C@@H]1CC[C@H]([NH2+]CC(F)(F)c2cccc(F)c2)C1 ZINC000595057754 347272684 /nfs/dbraw/zinc/27/26/84/347272684.db2.gz DSGWTJOOJKMCHI-MFKMUULPSA-N 1 2 268.282 3.199 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000595815079 347359400 /nfs/dbraw/zinc/35/94/00/347359400.db2.gz LBUWQQYXTUSWMF-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000595815079 347359403 /nfs/dbraw/zinc/35/94/03/347359403.db2.gz LBUWQQYXTUSWMF-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[N@H+](CCCC#N)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750048 347349401 /nfs/dbraw/zinc/34/94/01/347349401.db2.gz RAGDPBFLGIURGC-LBPRGKRZSA-N 1 2 287.190 3.262 20 30 CGEDLO C[N@@H+](CCCC#N)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595750048 347349402 /nfs/dbraw/zinc/34/94/02/347349402.db2.gz RAGDPBFLGIURGC-LBPRGKRZSA-N 1 2 287.190 3.262 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595835453 347363272 /nfs/dbraw/zinc/36/32/72/347363272.db2.gz QCJNTMRNBHWVRI-KRWDZBQOSA-N 1 2 281.359 3.386 20 30 CGEDLO Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595835453 347363274 /nfs/dbraw/zinc/36/32/74/347363274.db2.gz QCJNTMRNBHWVRI-KRWDZBQOSA-N 1 2 281.359 3.386 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595836286 347363790 /nfs/dbraw/zinc/36/37/90/347363790.db2.gz XGWBCAWDRGEROT-CYBMUJFWSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595836286 347363795 /nfs/dbraw/zinc/36/37/95/347363795.db2.gz XGWBCAWDRGEROT-CYBMUJFWSA-N 1 2 284.281 3.321 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595845274 347367220 /nfs/dbraw/zinc/36/72/20/347367220.db2.gz ZLKRVRUKABRMQT-NHYWBVRUSA-N 1 2 255.321 3.124 20 30 CGEDLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595845274 347367222 /nfs/dbraw/zinc/36/72/22/347367222.db2.gz ZLKRVRUKABRMQT-NHYWBVRUSA-N 1 2 255.321 3.124 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000597175479 347544602 /nfs/dbraw/zinc/54/46/02/347544602.db2.gz ZVVFRYWGHWFAAK-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000597175479 347544606 /nfs/dbraw/zinc/54/46/06/347544606.db2.gz ZVVFRYWGHWFAAK-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000597161329 347543465 /nfs/dbraw/zinc/54/34/65/347543465.db2.gz PICZUOUXEPUONM-ZDUSSCGKSA-N 1 2 295.390 3.068 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000597161329 347543467 /nfs/dbraw/zinc/54/34/67/347543467.db2.gz PICZUOUXEPUONM-ZDUSSCGKSA-N 1 2 295.390 3.068 20 30 CGEDLO CCOc1c(Cl)cccc1C[NH+]1CC(CC#N)C1 ZINC000597203852 347554479 /nfs/dbraw/zinc/55/44/79/347554479.db2.gz PQXZYYAUJNNSQU-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO CC(C)c1ccc(C[NH+]2CC(CC#N)C2)cc1[N+](=O)[O-] ZINC000597192922 347547829 /nfs/dbraw/zinc/54/78/29/347547829.db2.gz ARQZVLBVELJBPP-UHFFFAOYSA-N 1 2 273.336 3.064 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000597194640 347548651 /nfs/dbraw/zinc/54/86/51/347548651.db2.gz UXLKNAJCBSWIIC-UHFFFAOYSA-N 1 2 286.709 3.287 20 30 CGEDLO N#CCC1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000599064471 347713370 /nfs/dbraw/zinc/71/33/70/347713370.db2.gz AHTYKSKQHJXVAE-UHFFFAOYSA-N 1 2 291.358 3.013 20 30 CGEDLO C[N@H+](CCOCCC#N)[C@H](CCc1ccccc1)C(F)F ZINC000599680362 347765117 /nfs/dbraw/zinc/76/51/17/347765117.db2.gz AYMIZTDRZWDBKO-OAHLLOKOSA-N 1 2 296.361 3.115 20 30 CGEDLO C[N@@H+](CCOCCC#N)[C@H](CCc1ccccc1)C(F)F ZINC000599680362 347765119 /nfs/dbraw/zinc/76/51/19/347765119.db2.gz AYMIZTDRZWDBKO-OAHLLOKOSA-N 1 2 296.361 3.115 20 30 CGEDLO Cc1[nH]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)[nH+]c1C ZINC000600119718 347781909 /nfs/dbraw/zinc/78/19/09/347781909.db2.gz BGFNKUCXZHQGQI-IRXDYDNUSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000600120670 347782084 /nfs/dbraw/zinc/78/20/84/347782084.db2.gz LUJYKDLORCFOKH-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000600120670 347782087 /nfs/dbraw/zinc/78/20/87/347782087.db2.gz LUJYKDLORCFOKH-IAGOWNOFSA-N 1 2 281.359 3.255 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599470423 347747438 /nfs/dbraw/zinc/74/74/38/347747438.db2.gz RCCSETWGIVLDKD-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000599470423 347747439 /nfs/dbraw/zinc/74/74/39/347747439.db2.gz RCCSETWGIVLDKD-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#Cc1ccc(CNc2ccc3c(c2)CCC[NH2+]3)o1 ZINC000600769802 347833033 /nfs/dbraw/zinc/83/30/33/347833033.db2.gz RMPWYKQJAKJIRB-UHFFFAOYSA-N 1 2 253.305 3.121 20 30 CGEDLO CC(C)N(C)c1ccc(-c2ccc(C#N)cc2)c[nH+]1 ZINC000600774550 347833237 /nfs/dbraw/zinc/83/32/37/347833237.db2.gz FQWARRBKFATBND-UHFFFAOYSA-N 1 2 251.333 3.465 20 30 CGEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000602012409 347932443 /nfs/dbraw/zinc/93/24/43/347932443.db2.gz PMALSZMYIKNIQQ-UHFFFAOYSA-N 1 2 298.365 3.299 20 30 CGEDLO N#CC1CCC([NH2+]c2ccc(-n3cccn3)cc2)CC1 ZINC000602496813 347969919 /nfs/dbraw/zinc/96/99/19/347969919.db2.gz VKWKUPQVJZIWMW-UHFFFAOYSA-N 1 2 266.348 3.367 20 30 CGEDLO COC(=O)[C@H]([NH2+]C[C@H](C)CCC#N)c1ccc(C)c(C)c1 ZINC000602624662 347995986 /nfs/dbraw/zinc/99/59/86/347995986.db2.gz LWMQXHQUVUZMAD-MLGOLLRUSA-N 1 2 288.391 3.047 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](CC)Cc1cccs1)C(=O)OC ZINC000602732324 348020016 /nfs/dbraw/zinc/02/00/16/348020016.db2.gz ARMSUCOYJHROIA-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO CCC(F)(F)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602899420 348041814 /nfs/dbraw/zinc/04/18/14/348041814.db2.gz IUJTVVQBXJCPDP-UHFFFAOYSA-N 1 2 293.361 3.480 20 30 CGEDLO COc1ccc(C[NH2+][C@H](C)C(F)F)cc1OCCCC#N ZINC000603430576 348082718 /nfs/dbraw/zinc/08/27/18/348082718.db2.gz TXATUMWWRIDFHN-LLVKDONJSA-N 1 2 298.333 3.121 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000610410465 348381698 /nfs/dbraw/zinc/38/16/98/348381698.db2.gz UELYGLBBEDWQTH-GYSYKLTISA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000610410465 348381699 /nfs/dbraw/zinc/38/16/99/348381699.db2.gz UELYGLBBEDWQTH-GYSYKLTISA-N 1 2 298.308 3.271 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000610511761 348386824 /nfs/dbraw/zinc/38/68/24/348386824.db2.gz VXMJMEAHLDQCQV-OAHLLOKOSA-N 1 2 288.391 3.088 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000610511761 348386826 /nfs/dbraw/zinc/38/68/26/348386826.db2.gz VXMJMEAHLDQCQV-OAHLLOKOSA-N 1 2 288.391 3.088 20 30 CGEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1F ZINC000611501997 348457069 /nfs/dbraw/zinc/45/70/69/348457069.db2.gz LMILJSXQZYCDPZ-GXFFZTMASA-N 1 2 298.308 3.340 20 30 CGEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1F ZINC000611501997 348457070 /nfs/dbraw/zinc/45/70/70/348457070.db2.gz LMILJSXQZYCDPZ-GXFFZTMASA-N 1 2 298.308 3.340 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000611518869 348458180 /nfs/dbraw/zinc/45/81/80/348458180.db2.gz BDUUDNBZJAIIPM-WDEREUQCSA-N 1 2 254.337 3.002 20 30 CGEDLO CCOc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161891 348497790 /nfs/dbraw/zinc/49/77/90/348497790.db2.gz BPOFHXRSCURYDX-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO CCOc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161891 348497792 /nfs/dbraw/zinc/49/77/92/348497792.db2.gz BPOFHXRSCURYDX-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163060 348498603 /nfs/dbraw/zinc/49/86/03/348498603.db2.gz NRVLIANOCDYODM-WFASDCNBSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612163060 348498604 /nfs/dbraw/zinc/49/86/04/348498604.db2.gz NRVLIANOCDYODM-WFASDCNBSA-N 1 2 273.336 3.281 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000612890755 348552882 /nfs/dbraw/zinc/55/28/82/348552882.db2.gz MBIWUVVOKZDSFT-LLVKDONJSA-N 1 2 296.773 3.480 20 30 CGEDLO CCn1nc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c2ccccc21 ZINC000613746423 348630017 /nfs/dbraw/zinc/63/00/17/348630017.db2.gz JWSKFWOVCUTFCM-KRWDZBQOSA-N 1 2 282.391 3.182 20 30 CGEDLO CCn1nc(C[N@H+]2CCC[C@@](C)(C#N)C2)c2ccccc21 ZINC000613746423 348630020 /nfs/dbraw/zinc/63/00/20/348630020.db2.gz JWSKFWOVCUTFCM-KRWDZBQOSA-N 1 2 282.391 3.182 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000614962623 348703284 /nfs/dbraw/zinc/70/32/84/348703284.db2.gz MPPPBQXFVQSHGT-GYSYKLTISA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000614962623 348703288 /nfs/dbraw/zinc/70/32/88/348703288.db2.gz MPPPBQXFVQSHGT-GYSYKLTISA-N 1 2 298.308 3.271 20 30 CGEDLO C[C@@H](CCC#N)CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000618888186 349176113 /nfs/dbraw/zinc/17/61/13/349176113.db2.gz NWQAEVKBSLDZOP-ZDUSSCGKSA-N 1 2 268.364 3.439 20 30 CGEDLO C=CCC1(NC(=O)Cn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000619104537 349203378 /nfs/dbraw/zinc/20/33/78/349203378.db2.gz PNOHFUGZBNVPPE-UHFFFAOYSA-N 1 2 297.402 3.350 20 30 CGEDLO C=CCC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC000619111888 349206113 /nfs/dbraw/zinc/20/61/13/349206113.db2.gz LAPZAGQNCMXVIA-UHFFFAOYSA-N 1 2 283.375 3.261 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000619715938 349277729 /nfs/dbraw/zinc/27/77/29/349277729.db2.gz BWIKYVBRMSLOCV-KRWDZBQOSA-N 1 2 299.370 3.008 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000619715938 349277731 /nfs/dbraw/zinc/27/77/31/349277731.db2.gz BWIKYVBRMSLOCV-KRWDZBQOSA-N 1 2 299.370 3.008 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3ccccc3Cl)n2c1 ZINC000122603879 187040540 /nfs/dbraw/zinc/04/05/40/187040540.db2.gz MJVRRCIPYDOCCB-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO Cc1cc(C)cc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000123393641 187088911 /nfs/dbraw/zinc/08/89/11/187088911.db2.gz HJDYEVMWBOEIOE-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088605530 283143589 /nfs/dbraw/zinc/14/35/89/283143589.db2.gz SYQGNBXCBUPRQJ-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088605530 283143595 /nfs/dbraw/zinc/14/35/95/283143595.db2.gz SYQGNBXCBUPRQJ-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO C=CC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000121552505 370872449 /nfs/dbraw/zinc/87/24/49/370872449.db2.gz HJGCPUCYDBXLCH-UHFFFAOYSA-N 1 2 266.772 3.013 20 30 CGEDLO C=CC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000121552505 370872453 /nfs/dbraw/zinc/87/24/53/370872453.db2.gz HJGCPUCYDBXLCH-UHFFFAOYSA-N 1 2 266.772 3.013 20 30 CGEDLO CC(C)[N@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000058396954 369567730 /nfs/dbraw/zinc/56/77/30/369567730.db2.gz INRGKPKFPZZEFM-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO CC(C)[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000058396954 369567735 /nfs/dbraw/zinc/56/77/35/369567735.db2.gz INRGKPKFPZZEFM-UHFFFAOYSA-N 1 2 296.374 3.229 20 30 CGEDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000058575404 369571372 /nfs/dbraw/zinc/57/13/72/369571372.db2.gz VUINZNIQCGOYAR-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000058575404 369571374 /nfs/dbraw/zinc/57/13/74/369571374.db2.gz VUINZNIQCGOYAR-JTQLQIEISA-N 1 2 252.745 3.083 20 30 CGEDLO COc1ccc([NH2+]CC(C)(C)CCC#N)c(OC)c1OC ZINC000092138359 370095131 /nfs/dbraw/zinc/09/51/31/370095131.db2.gz OAEJUJSTIULGNQ-UHFFFAOYSA-N 1 2 292.379 3.454 20 30 CGEDLO Cn1c(C[N@H+](C)Cc2cc(C#N)cs2)nc2ccccc21 ZINC000093364079 370119697 /nfs/dbraw/zinc/11/96/97/370119697.db2.gz FDDBRVBQMHPEFV-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cn1c(C[N@@H+](C)Cc2cc(C#N)cs2)nc2ccccc21 ZINC000093364079 370119708 /nfs/dbraw/zinc/11/97/08/370119708.db2.gz FDDBRVBQMHPEFV-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1OC ZINC000107294775 370355017 /nfs/dbraw/zinc/35/50/17/370355017.db2.gz XKAGEBAHVXSRCF-UHFFFAOYSA-N 1 2 298.342 3.216 20 30 CGEDLO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000113356948 370473317 /nfs/dbraw/zinc/47/33/17/370473317.db2.gz AWWGJFFOFANVGZ-OAHLLOKOSA-N 1 2 296.374 3.306 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000129575892 370993675 /nfs/dbraw/zinc/99/36/75/370993675.db2.gz MUMWBIXZJQXXPF-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000129575892 370993679 /nfs/dbraw/zinc/99/36/79/370993679.db2.gz MUMWBIXZJQXXPF-NSHDSACASA-N 1 2 286.297 3.362 20 30 CGEDLO N#CCC[N@@H+](Cc1c(O)cccc1Cl)CC1CC1 ZINC000119098911 370644310 /nfs/dbraw/zinc/64/43/10/370644310.db2.gz YHSKODQJDOYPJE-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO N#CCC[N@H+](Cc1c(O)cccc1Cl)CC1CC1 ZINC000119098911 370644314 /nfs/dbraw/zinc/64/43/14/370644314.db2.gz YHSKODQJDOYPJE-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO C=C(C)C[NH2+][C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136675465 371481992 /nfs/dbraw/zinc/48/19/92/371481992.db2.gz HUGLBUNLERUELI-GFCCVEGCSA-N 1 2 296.296 3.079 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153359633 371764827 /nfs/dbraw/zinc/76/48/27/371764827.db2.gz KQLOBWRLRUJLQB-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153359633 371764836 /nfs/dbraw/zinc/76/48/36/371764836.db2.gz KQLOBWRLRUJLQB-UHFFFAOYSA-N 1 2 293.326 3.025 20 30 CGEDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000154842884 371883295 /nfs/dbraw/zinc/88/32/95/371883295.db2.gz OOMYDPFBRHBGSK-UHFFFAOYSA-N 1 2 290.370 3.077 20 30 CGEDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000154842884 371883302 /nfs/dbraw/zinc/88/33/02/371883302.db2.gz OOMYDPFBRHBGSK-UHFFFAOYSA-N 1 2 290.370 3.077 20 30 CGEDLO C[C@@H]1OCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000156030864 371958048 /nfs/dbraw/zinc/95/80/48/371958048.db2.gz VYDUNQGBEGVFHC-STQMWFEESA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@@H]1OCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000156030864 371958058 /nfs/dbraw/zinc/95/80/58/371958058.db2.gz VYDUNQGBEGVFHC-STQMWFEESA-N 1 2 297.320 3.166 20 30 CGEDLO COc1ccc2[nH+]c(C)nc(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC000425274434 372119789 /nfs/dbraw/zinc/11/97/89/372119789.db2.gz RGFUUDLBYZPJLC-NWDGAFQWSA-N 1 2 282.347 3.051 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2nc(C)sc2c1 ZINC000426082383 372150128 /nfs/dbraw/zinc/15/01/28/372150128.db2.gz YFAZYSJTPFZFAG-UHFFFAOYSA-N 1 2 259.378 3.340 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2nc(C)sc2c1 ZINC000426082383 372150133 /nfs/dbraw/zinc/15/01/33/372150133.db2.gz YFAZYSJTPFZFAG-UHFFFAOYSA-N 1 2 259.378 3.340 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc(C#N)c(C)n1 ZINC000291964914 372178635 /nfs/dbraw/zinc/17/86/35/372178635.db2.gz OLACSAIZBMGHDK-OAHLLOKOSA-N 1 2 295.390 3.210 20 30 CGEDLO COc1cccc(C[N@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428457715 372209748 /nfs/dbraw/zinc/20/97/48/372209748.db2.gz MZLXYGJLWRGQOD-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO COc1cccc(C[N@@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428457715 372209753 /nfs/dbraw/zinc/20/97/53/372209753.db2.gz MZLXYGJLWRGQOD-UHFFFAOYSA-N 1 2 284.334 3.338 20 30 CGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000292877740 372236283 /nfs/dbraw/zinc/23/62/83/372236283.db2.gz XGSWXDUPMAXTIC-ZDUSSCGKSA-N 1 2 299.349 3.001 20 30 CGEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000292877740 372236288 /nfs/dbraw/zinc/23/62/88/372236288.db2.gz XGSWXDUPMAXTIC-ZDUSSCGKSA-N 1 2 299.349 3.001 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000293263883 372340721 /nfs/dbraw/zinc/34/07/21/372340721.db2.gz UODMNKLOIXXKNF-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000293263883 372340727 /nfs/dbraw/zinc/34/07/27/372340727.db2.gz UODMNKLOIXXKNF-UHFFFAOYSA-N 1 2 260.362 3.167 20 30 CGEDLO Cc1cc(C#N)cc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000161738075 372349819 /nfs/dbraw/zinc/34/98/19/372349819.db2.gz MAOALUPEXHDPNZ-UHFFFAOYSA-N 1 2 264.332 3.363 20 30 CGEDLO C#CC[N@H+](Cc1csc(C2CC2)n1)C1CCCC1 ZINC000162243814 372384339 /nfs/dbraw/zinc/38/43/39/372384339.db2.gz GQNSYAPEEPQBAN-UHFFFAOYSA-N 1 2 260.406 3.398 20 30 CGEDLO C#CC[N@@H+](Cc1csc(C2CC2)n1)C1CCCC1 ZINC000162243814 372384341 /nfs/dbraw/zinc/38/43/41/372384341.db2.gz GQNSYAPEEPQBAN-UHFFFAOYSA-N 1 2 260.406 3.398 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000162895404 372431421 /nfs/dbraw/zinc/43/14/21/372431421.db2.gz QRIGRWJJMWZOHP-LLVKDONJSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC(C)(C)O1 ZINC000162895404 372431425 /nfs/dbraw/zinc/43/14/25/372431425.db2.gz QRIGRWJJMWZOHP-LLVKDONJSA-N 1 2 278.783 3.211 20 30 CGEDLO CCOc1cc2[nH+]ccc(N(C)CCC#N)c2cc1OCC ZINC000432136058 372538814 /nfs/dbraw/zinc/53/88/14/372538814.db2.gz ANNGMANIIFMCRY-UHFFFAOYSA-N 1 2 299.374 3.382 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433297578 372585367 /nfs/dbraw/zinc/58/53/67/372585367.db2.gz LQQFCKMTVKCMSJ-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433297578 372585373 /nfs/dbraw/zinc/58/53/73/372585373.db2.gz LQQFCKMTVKCMSJ-UHFFFAOYSA-N 1 2 266.772 3.330 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000438183635 372905453 /nfs/dbraw/zinc/90/54/53/372905453.db2.gz AGFACRAXFZWJHA-UHFFFAOYSA-N 1 2 287.378 3.212 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000438183635 372905461 /nfs/dbraw/zinc/90/54/61/372905461.db2.gz AGFACRAXFZWJHA-UHFFFAOYSA-N 1 2 287.378 3.212 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnns1)Cc1ccccc1 ZINC000295862979 372940054 /nfs/dbraw/zinc/94/00/54/372940054.db2.gz CARUBYGNHVDBSX-UHFFFAOYSA-N 1 2 259.378 3.116 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnns1)Cc1ccccc1 ZINC000295862979 372940060 /nfs/dbraw/zinc/94/00/60/372940060.db2.gz CARUBYGNHVDBSX-UHFFFAOYSA-N 1 2 259.378 3.116 20 30 CGEDLO C[C@@H]1[N@H+](CC#Cc2cccc(Cl)c2)CCOC1(C)C ZINC000438599061 372968812 /nfs/dbraw/zinc/96/88/12/372968812.db2.gz QNGLGWCAXSPHQS-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@@H]1[N@@H+](CC#Cc2cccc(Cl)c2)CCOC1(C)C ZINC000438599061 372968824 /nfs/dbraw/zinc/96/88/24/372968824.db2.gz QNGLGWCAXSPHQS-ZDUSSCGKSA-N 1 2 277.795 3.191 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1C#N ZINC000444706419 373245503 /nfs/dbraw/zinc/24/55/03/373245503.db2.gz NUIFTGXMQHWOER-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1C#N ZINC000444706419 373245509 /nfs/dbraw/zinc/24/55/09/373245509.db2.gz NUIFTGXMQHWOER-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO N#CCCN(Cc1c[nH+]cn1Cc1ccccc1)CC1CC1 ZINC000445812279 373317078 /nfs/dbraw/zinc/31/70/78/373317078.db2.gz VJGFSNJQLZBHNL-UHFFFAOYSA-N 1 2 294.402 3.057 20 30 CGEDLO N#CCC[N@@H+](Cc1ccnn1C1CCCC1)CC1CC1 ZINC000449023538 373657219 /nfs/dbraw/zinc/65/72/19/373657219.db2.gz RTAYVZGQDQNUHT-UHFFFAOYSA-N 1 2 272.396 3.124 20 30 CGEDLO N#CCC[N@H+](Cc1ccnn1C1CCCC1)CC1CC1 ZINC000449023538 373657228 /nfs/dbraw/zinc/65/72/28/373657228.db2.gz RTAYVZGQDQNUHT-UHFFFAOYSA-N 1 2 272.396 3.124 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000449414384 373688491 /nfs/dbraw/zinc/68/84/91/373688491.db2.gz LUQXCZFHLJZGBK-LLVKDONJSA-N 1 2 255.308 3.385 20 30 CGEDLO CC(C)c1nc(C2CC[NH+](CC3(C#N)CCC3)CC2)no1 ZINC000450338719 374067086 /nfs/dbraw/zinc/06/70/86/374067086.db2.gz YWIMOTVWJKOQCS-UHFFFAOYSA-N 1 2 288.395 3.066 20 30 CGEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450452782 374138710 /nfs/dbraw/zinc/13/87/10/374138710.db2.gz KLTQAZWVPPSMAN-RBZFPXEDSA-N 1 2 290.432 3.111 20 30 CGEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450452782 374138715 /nfs/dbraw/zinc/13/87/15/374138715.db2.gz KLTQAZWVPPSMAN-RBZFPXEDSA-N 1 2 290.432 3.111 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000182623862 374299981 /nfs/dbraw/zinc/29/99/81/374299981.db2.gz CWEAEQVFUXFFJS-CYBMUJFWSA-N 1 2 285.391 3.206 20 30 CGEDLO C=C1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000329363474 374406807 /nfs/dbraw/zinc/40/68/07/374406807.db2.gz HPWSCKVZGXOEKO-ZIAGYGMSSA-N 1 2 293.411 3.088 20 30 CGEDLO C[C@]1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCCOC1 ZINC000329705475 374422247 /nfs/dbraw/zinc/42/22/47/374422247.db2.gz KIEHXJRORBJHQL-KRWDZBQOSA-N 1 2 299.374 3.350 20 30 CGEDLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)cc1F ZINC000453350973 374440944 /nfs/dbraw/zinc/44/09/44/374440944.db2.gz KIEXTNYCZWYEQA-JTQLQIEISA-N 1 2 285.322 3.414 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000454812485 374484877 /nfs/dbraw/zinc/48/48/77/374484877.db2.gz PZXOPXJATQKZIB-QWHCGFSZSA-N 1 2 278.400 3.008 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387973 374706635 /nfs/dbraw/zinc/70/66/35/374706635.db2.gz QACMSBCLIVOFFB-CHWSQXEVSA-N 1 2 265.360 3.218 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000334387973 374706638 /nfs/dbraw/zinc/70/66/38/374706638.db2.gz QACMSBCLIVOFFB-CHWSQXEVSA-N 1 2 265.360 3.218 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(CC#N)cc2)c(C)[nH+]1 ZINC000334405364 374722087 /nfs/dbraw/zinc/72/20/87/374722087.db2.gz GEIBODXDKFXPLO-UHFFFAOYSA-N 1 2 279.343 3.325 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccn1 ZINC000187470108 375027795 /nfs/dbraw/zinc/02/77/95/375027795.db2.gz VMTLYFYPHRVHQW-LLVKDONJSA-N 1 2 271.751 3.457 20 30 CGEDLO CC(C)Oc1ccc(C[N@H+](C)CCC#N)cc1Cl ZINC000187934084 375120963 /nfs/dbraw/zinc/12/09/63/375120963.db2.gz GXGPHMOTVDHELB-UHFFFAOYSA-N 1 2 266.772 3.473 20 30 CGEDLO CC(C)Oc1ccc(C[N@@H+](C)CCC#N)cc1Cl ZINC000187934084 375120971 /nfs/dbraw/zinc/12/09/71/375120971.db2.gz GXGPHMOTVDHELB-UHFFFAOYSA-N 1 2 266.772 3.473 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000488223723 375306795 /nfs/dbraw/zinc/30/67/95/375306795.db2.gz BVOSQJCQTJZMTK-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000488223723 375306800 /nfs/dbraw/zinc/30/68/00/375306800.db2.gz BVOSQJCQTJZMTK-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000336111526 375692998 /nfs/dbraw/zinc/69/29/98/375692998.db2.gz HJYWWDYATWOGNA-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000336111526 375693006 /nfs/dbraw/zinc/69/30/06/375693006.db2.gz HJYWWDYATWOGNA-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO Cn1cc[nH+]c1CNc1cccc(C#Cc2ccccc2)c1 ZINC000123859800 542030133 /nfs/dbraw/zinc/03/01/33/542030133.db2.gz RFWMCDPPQLIAJS-UHFFFAOYSA-N 1 2 287.366 3.432 20 30 CGEDLO C=CCCCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000515126475 375810456 /nfs/dbraw/zinc/81/04/56/375810456.db2.gz YZPMDXUKRCTZLP-CQSZACIVSA-N 1 2 293.432 3.378 20 30 CGEDLO C=CCCCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000515126475 375810461 /nfs/dbraw/zinc/81/04/61/375810461.db2.gz YZPMDXUKRCTZLP-CQSZACIVSA-N 1 2 293.432 3.378 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000516191213 375817682 /nfs/dbraw/zinc/81/76/82/375817682.db2.gz BNNYALCXUUWLLY-ONGXEEELSA-N 1 2 297.761 3.088 20 30 CGEDLO C[N@H+](CCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000336581137 375848673 /nfs/dbraw/zinc/84/86/73/375848673.db2.gz BCAGFVVENKGHKX-GFCCVEGCSA-N 1 2 295.180 3.118 20 30 CGEDLO C[N@@H+](CCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000336581137 375848681 /nfs/dbraw/zinc/84/86/81/375848681.db2.gz BCAGFVVENKGHKX-GFCCVEGCSA-N 1 2 295.180 3.118 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C[C@@H](C)C#N ZINC000535787361 376058986 /nfs/dbraw/zinc/05/89/86/376058986.db2.gz XYVNIIXUPPRCOZ-QWHCGFSZSA-N 1 2 288.391 3.000 20 30 CGEDLO CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C[C@@H](C)C#N ZINC000535787361 376058994 /nfs/dbraw/zinc/05/89/94/376058994.db2.gz XYVNIIXUPPRCOZ-QWHCGFSZSA-N 1 2 288.391 3.000 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)C1CC1 ZINC000536744225 376128426 /nfs/dbraw/zinc/12/84/26/376128426.db2.gz QLJBSEPBSAEKAE-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)C1CC1 ZINC000536744225 376128432 /nfs/dbraw/zinc/12/84/32/376128432.db2.gz QLJBSEPBSAEKAE-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000338293102 376320016 /nfs/dbraw/zinc/32/00/16/376320016.db2.gz VKYWOJFXYBTSAK-RKDXNWHRSA-N 1 2 290.367 3.269 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)c1 ZINC000334318954 206361045 /nfs/dbraw/zinc/36/10/45/206361045.db2.gz SWLJURWJQNPYDK-IAGOWNOFSA-N 1 2 268.360 3.040 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)c1 ZINC000334318954 206361050 /nfs/dbraw/zinc/36/10/50/206361050.db2.gz SWLJURWJQNPYDK-IAGOWNOFSA-N 1 2 268.360 3.040 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000264486092 190113698 /nfs/dbraw/zinc/11/36/98/190113698.db2.gz RNSIKZHWZFNTMH-HNNXBMFYSA-N 1 2 272.392 3.282 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000264486095 190113763 /nfs/dbraw/zinc/11/37/63/190113763.db2.gz RNSIKZHWZFNTMH-OAHLLOKOSA-N 1 2 272.392 3.282 20 30 CGEDLO Cc1cc(N2CCc3ccc(C#N)cc32)nc(C(C)C)[nH+]1 ZINC000339700212 376815638 /nfs/dbraw/zinc/81/56/38/376815638.db2.gz RWHRPYXFCQTDGT-UHFFFAOYSA-N 1 2 278.359 3.474 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2o1 ZINC000560541698 377165092 /nfs/dbraw/zinc/16/50/92/377165092.db2.gz UQCXHOSTVRQIEE-UHFFFAOYSA-N 1 2 283.356 3.393 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1nc2ccccc2o1 ZINC000560541698 377165102 /nfs/dbraw/zinc/16/51/02/377165102.db2.gz UQCXHOSTVRQIEE-UHFFFAOYSA-N 1 2 283.356 3.393 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000570582370 377537907 /nfs/dbraw/zinc/53/79/07/377537907.db2.gz UNVWLTOFCXBBBO-GFCCVEGCSA-N 1 2 271.364 3.117 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000249902436 377540638 /nfs/dbraw/zinc/54/06/38/377540638.db2.gz UCNVVXDJWBFPSF-SWLSCSKDSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000249902436 377540644 /nfs/dbraw/zinc/54/06/44/377540644.db2.gz UCNVVXDJWBFPSF-SWLSCSKDSA-N 1 2 287.407 3.112 20 30 CGEDLO Cc1nc(C)c(CO[NH+]=C(N)c2ccc(C)c(F)c2)s1 ZINC000266302436 378017984 /nfs/dbraw/zinc/01/79/84/378017984.db2.gz ODSCCTVGJQMBIQ-UHFFFAOYSA-N 1 2 293.367 3.045 20 30 CGEDLO C=CC[N@@H+](Cc1cnn(C)c1C)Cc1ccccc1F ZINC000268883476 378143530 /nfs/dbraw/zinc/14/35/30/378143530.db2.gz IJNYIIGKHNXLEG-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=CC[N@H+](Cc1cnn(C)c1C)Cc1ccccc1F ZINC000268883476 378143533 /nfs/dbraw/zinc/14/35/33/378143533.db2.gz IJNYIIGKHNXLEG-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000269409933 378217675 /nfs/dbraw/zinc/21/76/75/378217675.db2.gz ISVIINOHXNDVCY-AWEZNQCLSA-N 1 2 257.337 3.175 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270357093 378340083 /nfs/dbraw/zinc/34/00/83/378340083.db2.gz XECOLAPIACYEMD-TVQRCGJNSA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000270357093 378340089 /nfs/dbraw/zinc/34/00/89/378340089.db2.gz XECOLAPIACYEMD-TVQRCGJNSA-N 1 2 287.190 3.118 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(C)ccc1OC(F)F ZINC000271054099 378442263 /nfs/dbraw/zinc/44/22/63/378442263.db2.gz YFZNPVOOEWXKHB-UHFFFAOYSA-N 1 2 268.307 3.332 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(C)ccc1OC(F)F ZINC000271054099 378442265 /nfs/dbraw/zinc/44/22/65/378442265.db2.gz YFZNPVOOEWXKHB-UHFFFAOYSA-N 1 2 268.307 3.332 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)s1 ZINC000271027951 378432541 /nfs/dbraw/zinc/43/25/41/378432541.db2.gz FANHPYOACWKKJY-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)s1 ZINC000271027951 378432545 /nfs/dbraw/zinc/43/25/45/378432545.db2.gz FANHPYOACWKKJY-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1noc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)n1 ZINC000348104158 378793204 /nfs/dbraw/zinc/79/32/04/378793204.db2.gz AGCWTXBJWDZQNA-NSHDSACASA-N 1 2 284.363 3.030 20 30 CGEDLO C=CCc1cc(C[N@@H+]2CCC=C(F)C2)cc(OC)c1O ZINC000274496088 378842195 /nfs/dbraw/zinc/84/21/95/378842195.db2.gz QHXGVAWKZUYNFI-UHFFFAOYSA-N 1 2 277.339 3.188 20 30 CGEDLO C=CCc1cc(C[N@H+]2CCC=C(F)C2)cc(OC)c1O ZINC000274496088 378842205 /nfs/dbraw/zinc/84/22/05/378842205.db2.gz QHXGVAWKZUYNFI-UHFFFAOYSA-N 1 2 277.339 3.188 20 30 CGEDLO CC1=CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347105050 218122870 /nfs/dbraw/zinc/12/28/70/218122870.db2.gz TZSSKRUSAQLEIO-UHFFFAOYSA-N 1 2 291.192 3.473 20 30 CGEDLO CC1=CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347105050 218122872 /nfs/dbraw/zinc/12/28/72/218122872.db2.gz TZSSKRUSAQLEIO-UHFFFAOYSA-N 1 2 291.192 3.473 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)o1 ZINC000370466200 379020291 /nfs/dbraw/zinc/02/02/91/379020291.db2.gz XDHKLCFTWAEJFX-ZDUSSCGKSA-N 1 2 274.707 3.028 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccon1 ZINC000349830349 379409136 /nfs/dbraw/zinc/40/91/36/379409136.db2.gz FQDJSYHCUWPJFH-VHSXEESVSA-N 1 2 259.284 3.097 20 30 CGEDLO CC(C)(C#N)Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000350045127 379488674 /nfs/dbraw/zinc/48/86/74/379488674.db2.gz HQKFREMBLWQXQO-UHFFFAOYSA-N 1 2 293.330 3.015 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)nc1 ZINC000375285768 379491196 /nfs/dbraw/zinc/49/11/96/379491196.db2.gz FLAZBNINTHENSL-IAGOWNOFSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)nc1 ZINC000375285768 379491203 /nfs/dbraw/zinc/49/12/03/379491203.db2.gz FLAZBNINTHENSL-IAGOWNOFSA-N 1 2 295.361 3.492 20 30 CGEDLO N#Cc1ccc([C@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377300559 379658756 /nfs/dbraw/zinc/65/87/56/379658756.db2.gz WGVCNZHYPNMGRC-QGZVFWFLSA-N 1 2 298.773 3.261 20 30 CGEDLO N#Cc1ccc([C@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000377300559 379658769 /nfs/dbraw/zinc/65/87/69/379658769.db2.gz WGVCNZHYPNMGRC-QGZVFWFLSA-N 1 2 298.773 3.261 20 30 CGEDLO C=CC[N@@H+](CC(=O)N(CCC)CCC)Cc1cccs1 ZINC000352422425 379809473 /nfs/dbraw/zinc/80/94/73/379809473.db2.gz RLWPNFRGFZKXMP-UHFFFAOYSA-N 1 2 294.464 3.385 20 30 CGEDLO C=CC[N@H+](CC(=O)N(CCC)CCC)Cc1cccs1 ZINC000352422425 379809482 /nfs/dbraw/zinc/80/94/82/379809482.db2.gz RLWPNFRGFZKXMP-UHFFFAOYSA-N 1 2 294.464 3.385 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000352484824 379834082 /nfs/dbraw/zinc/83/40/82/379834082.db2.gz UPQAEMXRHOHKHX-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000281070856 379815678 /nfs/dbraw/zinc/81/56/78/379815678.db2.gz MQYZSFFGFAJZOJ-MRXNPFEDSA-N 1 2 283.375 3.016 20 30 CGEDLO CCC[C@](C)([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411277702 380139495 /nfs/dbraw/zinc/13/94/95/380139495.db2.gz OTSLSWVOFDVAFW-HNNXBMFYSA-N 1 2 280.412 3.172 20 30 CGEDLO CC(C)(CC#N)C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000414159107 380193105 /nfs/dbraw/zinc/19/31/05/380193105.db2.gz AWVPBMUQYDBZCZ-CQSZACIVSA-N 1 2 286.354 3.168 20 30 CGEDLO Cc1[nH+]cccc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000286015089 380159415 /nfs/dbraw/zinc/15/94/15/380159415.db2.gz IJUKBIRJUJYQCR-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000414405067 380224829 /nfs/dbraw/zinc/22/48/29/380224829.db2.gz ISGQXIMUGAJPCO-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000414405067 380224833 /nfs/dbraw/zinc/22/48/33/380224833.db2.gz ISGQXIMUGAJPCO-ZWKOTPCHSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354025824 380285699 /nfs/dbraw/zinc/28/56/99/380285699.db2.gz JVVBBQFPYVOVES-CQSZACIVSA-N 1 2 294.402 3.305 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354025824 380285704 /nfs/dbraw/zinc/28/57/04/380285704.db2.gz JVVBBQFPYVOVES-CQSZACIVSA-N 1 2 294.402 3.305 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000420508826 380853934 /nfs/dbraw/zinc/85/39/34/380853934.db2.gz ARFITTBJGHNCQG-HNNXBMFYSA-N 1 2 257.337 3.218 20 30 CGEDLO C=CCC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000358787274 381327299 /nfs/dbraw/zinc/32/72/99/381327299.db2.gz RDPAEJFDUFFHPG-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO N#CCSCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361566264 381808114 /nfs/dbraw/zinc/80/81/14/381808114.db2.gz OEIVPXAJCUYCCJ-UHFFFAOYSA-N 1 2 285.416 3.104 20 30 CGEDLO N#CCSCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361566264 381808119 /nfs/dbraw/zinc/80/81/19/381808119.db2.gz OEIVPXAJCUYCCJ-UHFFFAOYSA-N 1 2 285.416 3.104 20 30 CGEDLO Cc1nc2sccn2c1C[N@H+](C)CC#Cc1ccccc1 ZINC000361869787 381873576 /nfs/dbraw/zinc/87/35/76/381873576.db2.gz WZBJRJJOZXYJRR-UHFFFAOYSA-N 1 2 295.411 3.188 20 30 CGEDLO Cc1nc2sccn2c1C[N@@H+](C)CC#Cc1ccccc1 ZINC000361869787 381873582 /nfs/dbraw/zinc/87/35/82/381873582.db2.gz WZBJRJJOZXYJRR-UHFFFAOYSA-N 1 2 295.411 3.188 20 30 CGEDLO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ncc[nH]1 ZINC000286184403 542391889 /nfs/dbraw/zinc/39/18/89/542391889.db2.gz QNMTWSHJAYSNGL-NSHDSACASA-N 1 2 293.292 3.131 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000281402408 195226990 /nfs/dbraw/zinc/22/69/90/195226990.db2.gz XOQOAVYEBOCPRW-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000281402408 195226992 /nfs/dbraw/zinc/22/69/92/195226992.db2.gz XOQOAVYEBOCPRW-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO COc1cc(C#N)cc(OCc2c(C)[nH+]c3ccccn32)c1 ZINC000362716170 533493356 /nfs/dbraw/zinc/49/33/56/533493356.db2.gz NTDQEHIKUBWIRY-UHFFFAOYSA-N 1 2 293.326 3.102 20 30 CGEDLO CC(=O)Nc1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC000093100927 392234460 /nfs/dbraw/zinc/23/44/60/392234460.db2.gz CQDJHWNKNDKTQO-UHFFFAOYSA-N 1 2 287.407 3.407 20 30 CGEDLO CC(=O)Nc1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC000093100927 392234464 /nfs/dbraw/zinc/23/44/64/392234464.db2.gz CQDJHWNKNDKTQO-UHFFFAOYSA-N 1 2 287.407 3.407 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1F ZINC000285223020 392319610 /nfs/dbraw/zinc/31/96/10/392319610.db2.gz APFSHQMITUVMRB-MRXNPFEDSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1F ZINC000285223020 392319620 /nfs/dbraw/zinc/31/96/20/392319620.db2.gz APFSHQMITUVMRB-MRXNPFEDSA-N 1 2 284.338 3.148 20 30 CGEDLO C#CC[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000286596685 392383942 /nfs/dbraw/zinc/38/39/42/392383942.db2.gz ULCJZNJGTQHESP-MRXNPFEDSA-N 1 2 292.386 3.253 20 30 CGEDLO C#CC[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000286596685 392383945 /nfs/dbraw/zinc/38/39/45/392383945.db2.gz ULCJZNJGTQHESP-MRXNPFEDSA-N 1 2 292.386 3.253 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000286337055 392381769 /nfs/dbraw/zinc/38/17/69/392381769.db2.gz XFPKMWZQDFHDOC-UHFFFAOYSA-N 1 2 271.389 3.049 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000286337055 392381771 /nfs/dbraw/zinc/38/17/71/392381771.db2.gz XFPKMWZQDFHDOC-UHFFFAOYSA-N 1 2 271.389 3.049 20 30 CGEDLO C=CCCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000263767951 131325520 /nfs/dbraw/zinc/32/55/20/131325520.db2.gz DVEQRHYOEBWYBE-LBPRGKRZSA-N 1 2 293.436 3.280 20 30 CGEDLO C=CCCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000263767951 131325521 /nfs/dbraw/zinc/32/55/21/131325521.db2.gz DVEQRHYOEBWYBE-LBPRGKRZSA-N 1 2 293.436 3.280 20 30 CGEDLO C=CCCCC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000366909682 392459080 /nfs/dbraw/zinc/45/90/80/392459080.db2.gz RGFLYTGKQXSYCO-OAHLLOKOSA-N 1 2 292.810 3.169 20 30 CGEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187851214 392793590 /nfs/dbraw/zinc/79/35/90/392793590.db2.gz QRRRJJPCVKVPHM-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO CC#CCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187851214 392793599 /nfs/dbraw/zinc/79/35/99/392793599.db2.gz QRRRJJPCVKVPHM-HNNXBMFYSA-N 1 2 281.758 3.266 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000525632911 392940292 /nfs/dbraw/zinc/94/02/92/392940292.db2.gz TXYMJAZZLCSUFR-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000525632911 392940298 /nfs/dbraw/zinc/94/02/98/392940298.db2.gz TXYMJAZZLCSUFR-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@@H+](CCC(C)(C)C#N)C2 ZINC000411957891 392990393 /nfs/dbraw/zinc/99/03/93/392990393.db2.gz ZPQZCQWRLYGBFH-UHFFFAOYSA-N 1 2 256.349 3.145 20 30 CGEDLO CC(=O)c1ccc2c(c1)C[N@H+](CCC(C)(C)C#N)C2 ZINC000411957891 392990396 /nfs/dbraw/zinc/99/03/96/392990396.db2.gz ZPQZCQWRLYGBFH-UHFFFAOYSA-N 1 2 256.349 3.145 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(OC)c1 ZINC000342858119 393010127 /nfs/dbraw/zinc/01/01/27/393010127.db2.gz AGJUSOAYOLNYJH-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(OC)c1 ZINC000342858119 393010133 /nfs/dbraw/zinc/01/01/33/393010133.db2.gz AGJUSOAYOLNYJH-UHFFFAOYSA-N 1 2 275.396 3.242 20 30 CGEDLO C=CCCC[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342938225 393012971 /nfs/dbraw/zinc/01/29/71/393012971.db2.gz KOSQVGZRQYNGBE-CYBMUJFWSA-N 1 2 260.385 3.234 20 30 CGEDLO C=CCCC[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342938225 393012978 /nfs/dbraw/zinc/01/29/78/393012978.db2.gz KOSQVGZRQYNGBE-CYBMUJFWSA-N 1 2 260.385 3.234 20 30 CGEDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC1(C#N)CC1)CCC2 ZINC000343306139 393024012 /nfs/dbraw/zinc/02/40/12/393024012.db2.gz VAKDHQCXTSILJS-GFCCVEGCSA-N 1 2 275.421 3.318 20 30 CGEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC1(C#N)CC1)CCC2 ZINC000343306139 393024016 /nfs/dbraw/zinc/02/40/16/393024016.db2.gz VAKDHQCXTSILJS-GFCCVEGCSA-N 1 2 275.421 3.318 20 30 CGEDLO CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@H](C)C#N ZINC000346273870 393081955 /nfs/dbraw/zinc/08/19/55/393081955.db2.gz ISORSSFDJWHNIX-CQSZACIVSA-N 1 2 296.374 3.250 20 30 CGEDLO CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@H](C)C#N ZINC000346273870 393081959 /nfs/dbraw/zinc/08/19/59/393081959.db2.gz ISORSSFDJWHNIX-CQSZACIVSA-N 1 2 296.374 3.250 20 30 CGEDLO C=C(C)CC[N@@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000351753474 393194962 /nfs/dbraw/zinc/19/49/62/393194962.db2.gz VVTFWXQYZOUGFM-ZDUSSCGKSA-N 1 2 299.823 3.066 20 30 CGEDLO C=C(C)CC[N@H+](C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000351753474 393194967 /nfs/dbraw/zinc/19/49/67/393194967.db2.gz VVTFWXQYZOUGFM-ZDUSSCGKSA-N 1 2 299.823 3.066 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356191663 393375566 /nfs/dbraw/zinc/37/55/66/393375566.db2.gz KQDGPLGZBZYCJP-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2nc(C#N)cs2)s1 ZINC000356191663 393375573 /nfs/dbraw/zinc/37/55/73/393375573.db2.gz KQDGPLGZBZYCJP-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO CCN(CC)c1ccc(Nc2snc(C)c2C#N)c[nH+]1 ZINC000360949991 393623206 /nfs/dbraw/zinc/62/32/06/393623206.db2.gz VEJZEUKDAREPDP-UHFFFAOYSA-N 1 2 287.392 3.308 20 30 CGEDLO Cc1cc(N2CCCc3ccccc3CC2)c(C#N)c[nH+]1 ZINC000425268454 393690620 /nfs/dbraw/zinc/69/06/20/393690620.db2.gz OVORGTXVWXZTJA-UHFFFAOYSA-N 1 2 277.371 3.257 20 30 CGEDLO COc1cc2[nH+]c(-c3cccc(C#N)c3)[nH]c2cc1C ZINC000446147269 393851826 /nfs/dbraw/zinc/85/18/26/393851826.db2.gz NVLVCNLWLPDADO-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC(C)(C)SC)c(O)c1 ZINC000743503562 572667694 /nfs/dbraw/zinc/66/76/94/572667694.db2.gz XHWUOHPZZZGXCA-OQLLNIDSSA-N 1 2 267.394 3.351 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000677047948 543427760 /nfs/dbraw/zinc/42/77/60/543427760.db2.gz LNKRRVTWRVLDQP-CJNGLKHVSA-N 1 2 261.340 3.001 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000677047948 543427762 /nfs/dbraw/zinc/42/77/62/543427762.db2.gz LNKRRVTWRVLDQP-CJNGLKHVSA-N 1 2 261.340 3.001 20 30 CGEDLO COCC#CC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000677817909 543467193 /nfs/dbraw/zinc/46/71/93/543467193.db2.gz WBZHTJWOUHWTSJ-UHFFFAOYSA-N 1 2 272.175 3.075 20 30 CGEDLO COCC#CC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000677817909 543467194 /nfs/dbraw/zinc/46/71/94/543467194.db2.gz WBZHTJWOUHWTSJ-UHFFFAOYSA-N 1 2 272.175 3.075 20 30 CGEDLO COCC#CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000677818996 543467854 /nfs/dbraw/zinc/46/78/54/543467854.db2.gz NRFBGKOBMORTMX-HNNXBMFYSA-N 1 2 284.359 3.005 20 30 CGEDLO COCC#CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000677818996 543467856 /nfs/dbraw/zinc/46/78/56/543467856.db2.gz NRFBGKOBMORTMX-HNNXBMFYSA-N 1 2 284.359 3.005 20 30 CGEDLO Cc1cc(NCc2c[nH+]c3ccc(C#N)cn23)ccc1F ZINC000089792208 165218122 /nfs/dbraw/zinc/21/81/22/165218122.db2.gz DAYHOESNWGUFRY-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093341989 287116005 /nfs/dbraw/zinc/11/60/05/287116005.db2.gz CVDJMEKJZMHXIR-KRWDZBQOSA-N 1 2 298.411 3.367 20 30 CGEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093341989 287116006 /nfs/dbraw/zinc/11/60/06/287116006.db2.gz CVDJMEKJZMHXIR-KRWDZBQOSA-N 1 2 298.411 3.367 20 30 CGEDLO Cc1ccc(NC(=O)CCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000119207634 287166341 /nfs/dbraw/zinc/16/63/41/287166341.db2.gz KMLIDZOUDQWDLH-UHFFFAOYSA-N 1 2 279.343 3.141 20 30 CGEDLO N#CCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008202062 170324222 /nfs/dbraw/zinc/32/42/22/170324222.db2.gz FHCCRTFNQDNLFW-UHFFFAOYSA-N 1 2 271.389 3.389 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000125818356 287251100 /nfs/dbraw/zinc/25/11/00/287251100.db2.gz AHXVRGFURXZMNU-KRWDZBQOSA-N 1 2 288.354 3.161 20 30 CGEDLO N#CC1(C[NH+]2CCC(c3cccc(F)c3F)CC2)CC1 ZINC000334839274 225332444 /nfs/dbraw/zinc/33/24/44/225332444.db2.gz CLMSXUKTOCIELD-UHFFFAOYSA-N 1 2 276.330 3.448 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000684764368 544027205 /nfs/dbraw/zinc/02/72/05/544027205.db2.gz LVLUUBBAJCQVEQ-GXTWGEPZSA-N 1 2 275.396 3.167 20 30 CGEDLO FC(F)(F)[C@H]1C[N@H+](CC2(F)CC2)C[C@H]1C(F)(F)F ZINC000684363876 543985514 /nfs/dbraw/zinc/98/55/14/543985514.db2.gz XQLIFYWLPDVTOQ-KNVOCYPGSA-N 1 2 279.199 3.161 20 30 CGEDLO FC(F)(F)[C@H]1C[N@@H+](CC2(F)CC2)C[C@H]1C(F)(F)F ZINC000684363876 543985518 /nfs/dbraw/zinc/98/55/18/543985518.db2.gz XQLIFYWLPDVTOQ-KNVOCYPGSA-N 1 2 279.199 3.161 20 30 CGEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccccc2Cl)nn1 ZINC000653572035 419053063 /nfs/dbraw/zinc/05/30/63/419053063.db2.gz KOJRFLFGEUKQKE-LBPRGKRZSA-N 1 2 290.798 3.358 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000661469633 419262683 /nfs/dbraw/zinc/26/26/83/419262683.db2.gz OTKHZVPKVLHRBS-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1COC2(CCC2)C[N@H+]1CC#Cc1ccccc1Cl ZINC000661469633 419262686 /nfs/dbraw/zinc/26/26/86/419262686.db2.gz OTKHZVPKVLHRBS-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(C)(C)C)no1)C(C)(C)C ZINC000661755245 419294856 /nfs/dbraw/zinc/29/48/56/419294856.db2.gz KRZLGLPUMORQSY-UHFFFAOYSA-N 1 2 251.374 3.154 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(C)(C)C)no1)C(C)(C)C ZINC000661755245 419294858 /nfs/dbraw/zinc/29/48/58/419294858.db2.gz KRZLGLPUMORQSY-UHFFFAOYSA-N 1 2 251.374 3.154 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000353417690 228099265 /nfs/dbraw/zinc/09/92/65/228099265.db2.gz WYRIAXWILMRZSG-UHFFFAOYSA-N 1 2 288.439 3.381 20 30 CGEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000353417690 228099267 /nfs/dbraw/zinc/09/92/67/228099267.db2.gz WYRIAXWILMRZSG-UHFFFAOYSA-N 1 2 288.439 3.381 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1nc2ccccc2o1 ZINC000331827128 228131746 /nfs/dbraw/zinc/13/17/46/228131746.db2.gz XLYVHECRNYFNCN-TUAOUCFPSA-N 1 2 255.321 3.171 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000352051017 228177043 /nfs/dbraw/zinc/17/70/43/228177043.db2.gz XVWYSCNVDUKFOB-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000352051017 228177044 /nfs/dbraw/zinc/17/70/44/228177044.db2.gz XVWYSCNVDUKFOB-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000333274657 228195535 /nfs/dbraw/zinc/19/55/35/228195535.db2.gz IIUJYLHIJOKADP-ZIAGYGMSSA-N 1 2 270.380 3.176 20 30 CGEDLO C=C[C@H]1CCCCN1c1nc(C)[nH+]c(C)c1Br ZINC000663852304 419739077 /nfs/dbraw/zinc/73/90/77/419739077.db2.gz SJJAECKUFMTKRP-NSHDSACASA-N 1 2 296.212 3.401 20 30 CGEDLO C=CC[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000664252674 419866349 /nfs/dbraw/zinc/86/63/49/419866349.db2.gz AXCALGWTUTUISQ-ZDUSSCGKSA-N 1 2 257.381 3.455 20 30 CGEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OC(F)F ZINC000064931908 260242464 /nfs/dbraw/zinc/24/24/64/260242464.db2.gz HIUHDXTXGCPEKU-NSHDSACASA-N 1 2 298.333 3.421 20 30 CGEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OC(F)F ZINC000064931908 260242466 /nfs/dbraw/zinc/24/24/66/260242466.db2.gz HIUHDXTXGCPEKU-NSHDSACASA-N 1 2 298.333 3.421 20 30 CGEDLO CC(C)(C#N)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000081517808 260333906 /nfs/dbraw/zinc/33/39/06/260333906.db2.gz MCEQHINVQMDVHB-UHFFFAOYSA-N 1 2 259.353 3.325 20 30 CGEDLO CC(C)(C#N)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517808 260333907 /nfs/dbraw/zinc/33/39/07/260333907.db2.gz MCEQHINVQMDVHB-UHFFFAOYSA-N 1 2 259.353 3.325 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccc(F)c(C)c1 ZINC000428414563 260538273 /nfs/dbraw/zinc/53/82/73/260538273.db2.gz QFRPAFAYVMYLMK-SWLSCSKDSA-N 1 2 279.355 3.293 20 30 CGEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177017985 261325621 /nfs/dbraw/zinc/32/56/21/261325621.db2.gz DSDGCBJNBYATHN-OAHLLOKOSA-N 1 2 297.320 3.168 20 30 CGEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000177017985 261325622 /nfs/dbraw/zinc/32/56/22/261325622.db2.gz DSDGCBJNBYATHN-OAHLLOKOSA-N 1 2 297.320 3.168 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000184083220 262007165 /nfs/dbraw/zinc/00/71/65/262007165.db2.gz NHJSXRYPTNKHKB-KRWDZBQOSA-N 1 2 295.386 3.442 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000355442665 262367654 /nfs/dbraw/zinc/36/76/54/262367654.db2.gz AETBRXRKVAVROI-CYBMUJFWSA-N 1 2 290.432 3.410 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nnc(CC)o1 ZINC000411481615 262695846 /nfs/dbraw/zinc/69/58/46/262695846.db2.gz AVFTUMCZPQDZTD-LBPRGKRZSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nnc(CC)o1 ZINC000411481615 262695847 /nfs/dbraw/zinc/69/58/47/262695847.db2.gz AVFTUMCZPQDZTD-LBPRGKRZSA-N 1 2 275.352 3.017 20 30 CGEDLO C[N@H+](CCC(C)(C)C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000271998874 263001226 /nfs/dbraw/zinc/00/12/26/263001226.db2.gz GUCHQHCJGTWHEP-UHFFFAOYSA-N 1 2 282.391 3.448 20 30 CGEDLO C[N@@H+](CCC(C)(C)C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000271998874 263001227 /nfs/dbraw/zinc/00/12/27/263001227.db2.gz GUCHQHCJGTWHEP-UHFFFAOYSA-N 1 2 282.391 3.448 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000272032294 263001352 /nfs/dbraw/zinc/00/13/52/263001352.db2.gz PLSLSXFPSWRILH-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000272032294 263001353 /nfs/dbraw/zinc/00/13/53/263001353.db2.gz PLSLSXFPSWRILH-OAHLLOKOSA-N 1 2 276.355 3.139 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)C[C@H](C)C#N ZINC000272287675 263003316 /nfs/dbraw/zinc/00/33/16/263003316.db2.gz GORUDVKNPKXELR-PWSUYJOCSA-N 1 2 261.325 3.056 20 30 CGEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H](C)C#N ZINC000272287675 263003317 /nfs/dbraw/zinc/00/33/17/263003317.db2.gz GORUDVKNPKXELR-PWSUYJOCSA-N 1 2 261.325 3.056 20 30 CGEDLO CC[N@H+](CCC#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272367221 263003536 /nfs/dbraw/zinc/00/35/36/263003536.db2.gz UACRNVOCUDDKEF-LBPRGKRZSA-N 1 2 261.325 3.200 20 30 CGEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272367221 263003537 /nfs/dbraw/zinc/00/35/37/263003537.db2.gz UACRNVOCUDDKEF-LBPRGKRZSA-N 1 2 261.325 3.200 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000272610683 263007742 /nfs/dbraw/zinc/00/77/42/263007742.db2.gz SHUFAEMUGNQWHC-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](c2ccsc2)O1 ZINC000278569740 263049128 /nfs/dbraw/zinc/04/91/28/263049128.db2.gz JCIOFWDJZMBHFY-OSRDXIQISA-N 1 2 276.405 3.202 20 30 CGEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](c2ccsc2)O1 ZINC000278569740 263049129 /nfs/dbraw/zinc/04/91/29/263049129.db2.gz JCIOFWDJZMBHFY-OSRDXIQISA-N 1 2 276.405 3.202 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)CCc2ccccn2)cc1 ZINC000280582664 263063137 /nfs/dbraw/zinc/06/31/37/263063137.db2.gz SXVJSCHLGBVGEU-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)CCc2ccccn2)cc1 ZINC000280582664 263063138 /nfs/dbraw/zinc/06/31/38/263063138.db2.gz SXVJSCHLGBVGEU-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO C[C@@H](/[NH+]=C/c1c(O)ccc2ccccc21)[C@@H]1CCOC1 ZINC000280967401 263065462 /nfs/dbraw/zinc/06/54/62/263065462.db2.gz IWLDKTVCPQLFGA-OSFMFMGJSA-N 1 2 269.344 3.389 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1cccc(OCC)c1O ZINC000281696057 263071313 /nfs/dbraw/zinc/07/13/13/263071313.db2.gz GVNIXAYRADVONH-WBEDEOOQSA-N 1 2 289.375 3.191 20 30 CGEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCCC12CCOCC2 ZINC000282380655 263076328 /nfs/dbraw/zinc/07/63/28/263076328.db2.gz ACCQQSZMHJHRHB-YHZJOHHESA-N 1 2 259.349 3.160 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000285838400 263096099 /nfs/dbraw/zinc/09/60/99/263096099.db2.gz SRHVNWHWJJQOSX-KRWDZBQOSA-N 1 2 296.374 3.329 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000289812242 263112287 /nfs/dbraw/zinc/11/22/87/263112287.db2.gz NPSFGFJWTMPXDR-MRXNPFEDSA-N 1 2 281.359 3.087 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000289812242 263112288 /nfs/dbraw/zinc/11/22/88/263112288.db2.gz NPSFGFJWTMPXDR-MRXNPFEDSA-N 1 2 281.359 3.087 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000294485393 263162783 /nfs/dbraw/zinc/16/27/83/263162783.db2.gz HLSYPYNWTZGBPM-WQVCFCJDSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)C1 ZINC000294485393 263162784 /nfs/dbraw/zinc/16/27/84/263162784.db2.gz HLSYPYNWTZGBPM-WQVCFCJDSA-N 1 2 290.794 3.406 20 30 CGEDLO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000295104828 263172311 /nfs/dbraw/zinc/17/23/11/263172311.db2.gz UDAKTVKZSUBEBL-ONGXEEELSA-N 1 2 282.746 3.357 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000341639343 263344954 /nfs/dbraw/zinc/34/49/54/263344954.db2.gz WDAUDPFNMTYFDW-JTQLQIEISA-N 1 2 257.337 3.412 20 30 CGEDLO CC(C)(C)CC[N@@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000341889180 263363780 /nfs/dbraw/zinc/36/37/80/263363780.db2.gz KTARLEIGEZUDJX-QGZVFWFLSA-N 1 2 285.435 3.133 20 30 CGEDLO CC(C)(C)CC[N@H+]1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000341889180 263363782 /nfs/dbraw/zinc/36/37/82/263363782.db2.gz KTARLEIGEZUDJX-QGZVFWFLSA-N 1 2 285.435 3.133 20 30 CGEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000341978534 263370142 /nfs/dbraw/zinc/37/01/42/263370142.db2.gz NOGAKIJDFSEWNJ-LBPRGKRZSA-N 1 2 294.345 3.278 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000342002889 263376252 /nfs/dbraw/zinc/37/62/52/263376252.db2.gz XYFVQYMYTTXLME-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342015310 263378463 /nfs/dbraw/zinc/37/84/63/263378463.db2.gz UGJSZRLJINFPSP-AWEZNQCLSA-N 1 2 283.375 3.091 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990669 263382423 /nfs/dbraw/zinc/38/24/23/263382423.db2.gz NSOOMBHHJYMZRH-HZPDHXFCSA-N 1 2 299.336 3.162 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341990669 263382426 /nfs/dbraw/zinc/38/24/26/263382426.db2.gz NSOOMBHHJYMZRH-HZPDHXFCSA-N 1 2 299.336 3.162 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343064314 263587383 /nfs/dbraw/zinc/58/73/83/263587383.db2.gz QRCBNWZHIWQBMX-MFKMUULPSA-N 1 2 286.297 3.494 20 30 CGEDLO CC(C)c1cccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000331322777 264189843 /nfs/dbraw/zinc/18/98/43/264189843.db2.gz FMWYIIVIMSXPBH-ZBFHGGJFSA-N 1 2 285.391 3.030 20 30 CGEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331360208 264208964 /nfs/dbraw/zinc/20/89/64/264208964.db2.gz XNWFFHSARUIBJF-BXKDBHETSA-N 1 2 279.727 3.030 20 30 CGEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2(C#N)CC2)c1 ZINC000343256454 264222823 /nfs/dbraw/zinc/22/28/23/264222823.db2.gz YXGXZNANJRUETG-OAHLLOKOSA-N 1 2 286.375 3.144 20 30 CGEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000343256454 264222824 /nfs/dbraw/zinc/22/28/24/264222824.db2.gz YXGXZNANJRUETG-OAHLLOKOSA-N 1 2 286.375 3.144 20 30 CGEDLO C[N@H+](Cc1ccccc1N1CCCC1)CC1(C#N)CC1 ZINC000343258500 264224861 /nfs/dbraw/zinc/22/48/61/264224861.db2.gz IXPVVPNCPBHTHN-UHFFFAOYSA-N 1 2 269.392 3.022 20 30 CGEDLO C[N@@H+](Cc1ccccc1N1CCCC1)CC1(C#N)CC1 ZINC000343258500 264224863 /nfs/dbraw/zinc/22/48/63/264224863.db2.gz IXPVVPNCPBHTHN-UHFFFAOYSA-N 1 2 269.392 3.022 20 30 CGEDLO CCCCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000369299854 267234049 /nfs/dbraw/zinc/23/40/49/267234049.db2.gz WNVKAZLDVLXJEL-GJZGRUSLSA-N 1 2 250.386 3.104 20 30 CGEDLO CCCCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000369299854 267234050 /nfs/dbraw/zinc/23/40/50/267234050.db2.gz WNVKAZLDVLXJEL-GJZGRUSLSA-N 1 2 250.386 3.104 20 30 CGEDLO CCC[N@H+](CC#N)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000303917174 267732181 /nfs/dbraw/zinc/73/21/81/267732181.db2.gz NYSANTGMQIBNFI-CABCVRRESA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[N@@H+](CC#N)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000303917174 267732183 /nfs/dbraw/zinc/73/21/83/267732183.db2.gz NYSANTGMQIBNFI-CABCVRRESA-N 1 2 264.413 3.350 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)c3ccc(C#N)cc3)ccc2n1C ZINC000525731282 268079250 /nfs/dbraw/zinc/07/92/50/268079250.db2.gz RACJSGOKJQHXRU-UHFFFAOYSA-N 1 2 290.326 3.006 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177507164 278110579 /nfs/dbraw/zinc/11/05/79/278110579.db2.gz JMEXGQIYNZDJHU-GFCCVEGCSA-N 1 2 269.323 3.076 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177507164 278110583 /nfs/dbraw/zinc/11/05/83/278110583.db2.gz JMEXGQIYNZDJHU-GFCCVEGCSA-N 1 2 269.323 3.076 20 30 CGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329323077 278271997 /nfs/dbraw/zinc/27/19/97/278271997.db2.gz UXQTUOYMXHHQNC-QWRGUYRKSA-N 1 2 261.369 3.050 20 30 CGEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329323077 278271998 /nfs/dbraw/zinc/27/19/98/278271998.db2.gz UXQTUOYMXHHQNC-QWRGUYRKSA-N 1 2 261.369 3.050 20 30 CGEDLO Cc1cc(N[C@@H]2CCCc3c(F)cccc32)c(C#N)c[nH+]1 ZINC000425266397 280300397 /nfs/dbraw/zinc/30/03/97/280300397.db2.gz HRQIDXCSBBLHIA-MRXNPFEDSA-N 1 2 281.334 3.312 20 30 CGEDLO N#CC1(C[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000336171341 303142304 /nfs/dbraw/zinc/14/23/04/303142304.db2.gz CZIHQXICSHBLKE-AWEZNQCLSA-N 1 2 258.390 3.080 20 30 CGEDLO N#CC1(C[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000336171341 303142305 /nfs/dbraw/zinc/14/23/05/303142305.db2.gz CZIHQXICSHBLKE-AWEZNQCLSA-N 1 2 258.390 3.080 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000339186059 328000330 /nfs/dbraw/zinc/00/03/30/328000330.db2.gz NUJWBOPPLKIIDB-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](C)C[C@H](C)C#N)cc2c1 ZINC000411232729 328080454 /nfs/dbraw/zinc/08/04/54/328080454.db2.gz ZHKCIWXYNWBDDX-CYBMUJFWSA-N 1 2 253.349 3.135 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](C)C[C@H](C)C#N)cc2c1 ZINC000411232729 328080455 /nfs/dbraw/zinc/08/04/55/328080455.db2.gz ZHKCIWXYNWBDDX-CYBMUJFWSA-N 1 2 253.349 3.135 20 30 CGEDLO C=CC[C@H](Cc1ccccc1)Nc1cc(C)[nH+]cn1 ZINC000413577540 328149822 /nfs/dbraw/zinc/14/98/22/328149822.db2.gz NFWYNABQAKMCDD-OAHLLOKOSA-N 1 2 253.349 3.384 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000267915174 328180888 /nfs/dbraw/zinc/18/08/88/328180888.db2.gz GTUYJIZFTSYTEY-LLVKDONJSA-N 1 2 294.782 3.235 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000267915174 328180890 /nfs/dbraw/zinc/18/08/90/328180890.db2.gz GTUYJIZFTSYTEY-LLVKDONJSA-N 1 2 294.782 3.235 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000289243558 328254070 /nfs/dbraw/zinc/25/40/70/328254070.db2.gz ZSEJEMONCIZABH-LLVKDONJSA-N 1 2 257.337 3.434 20 30 CGEDLO Cc1cc(NC[C@H]2CC[C@@H](c3ccccc3)O2)c(C#N)c[nH+]1 ZINC000570795726 322282407 /nfs/dbraw/zinc/28/24/07/322282407.db2.gz MFLLVMZIVUAPSN-AEFFLSMTSA-N 1 2 293.370 3.016 20 30 CGEDLO N#Cc1ccnc(Nc2cccc([NH+]3CCCCCC3)c2)n1 ZINC000571851760 322308995 /nfs/dbraw/zinc/30/89/95/322308995.db2.gz LGWWSGIVYZQIIN-UHFFFAOYSA-N 1 2 293.374 3.472 20 30 CGEDLO C=CCC1(C(=O)Nc2nc(C[NH+](C)C)cs2)CCCC1 ZINC000457282308 328534195 /nfs/dbraw/zinc/53/41/95/328534195.db2.gz BXAISOCBXYDVIO-UHFFFAOYSA-N 1 2 293.436 3.280 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000344066348 328556013 /nfs/dbraw/zinc/55/60/13/328556013.db2.gz QHUPBQRPRXXHIR-QGZVFWFLSA-N 1 2 283.375 3.091 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000558494925 327098094 /nfs/dbraw/zinc/09/80/94/327098094.db2.gz YKHVFDPQNCJRLO-RHSMWYFYSA-N 1 2 279.343 3.402 20 30 CGEDLO N#C[C@H]1CC[C@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000573548918 327195878 /nfs/dbraw/zinc/19/58/78/327195878.db2.gz UNVBASFEVDBJCI-RYUDHWBXSA-N 1 2 270.311 3.116 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@@H+]2CCCC(C)(C)[C@H]2C#N)CCO1 ZINC000574510095 327339726 /nfs/dbraw/zinc/33/97/26/327339726.db2.gz BWRAWBOCIYVMTA-RRFJBIMHSA-N 1 2 264.413 3.206 20 30 CGEDLO CC[C@@H]1C[C@@H](C[N@H+]2CCCC(C)(C)[C@H]2C#N)CCO1 ZINC000574510095 327339728 /nfs/dbraw/zinc/33/97/28/327339728.db2.gz BWRAWBOCIYVMTA-RRFJBIMHSA-N 1 2 264.413 3.206 20 30 CGEDLO C=CCCCCCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000570104557 327569665 /nfs/dbraw/zinc/56/96/65/327569665.db2.gz LRYNQBKVBIWACE-UHFFFAOYSA-N 1 2 299.418 3.461 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000582675150 329123674 /nfs/dbraw/zinc/12/36/74/329123674.db2.gz ZBEHCHLXUZCNJG-AWEZNQCLSA-N 1 2 287.407 3.204 20 30 CGEDLO Cc1ccn2c(CNc3ccc(CC#N)cc3)c[nH+]c2c1 ZINC000183280840 329248935 /nfs/dbraw/zinc/24/89/35/329248935.db2.gz NEUHNPXXEJSORY-UHFFFAOYSA-N 1 2 276.343 3.321 20 30 CGEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000187068675 329351835 /nfs/dbraw/zinc/35/18/35/329351835.db2.gz JRPLJLXVNZAIJV-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000187068675 329351837 /nfs/dbraw/zinc/35/18/37/329351837.db2.gz JRPLJLXVNZAIJV-UHFFFAOYSA-N 1 2 259.397 3.460 20 30 CGEDLO C=CCCCN(C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425194751 329637365 /nfs/dbraw/zinc/63/73/65/329637365.db2.gz RCTXLBONWMALGB-MRXNPFEDSA-N 1 2 297.402 3.356 20 30 CGEDLO COc1cccc2c1cc[nH+]c2N[C@@H]1CC[C@H](C#N)C1 ZINC000425272590 329653982 /nfs/dbraw/zinc/65/39/82/329653982.db2.gz LGYUPOKJWGQUSE-NWDGAFQWSA-N 1 2 267.332 3.348 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000564036314 329657062 /nfs/dbraw/zinc/65/70/62/329657062.db2.gz BCZZHLWGLKWTAJ-DOMZBBRYSA-N 1 2 266.348 3.191 20 30 CGEDLO C=CC[C@H](CC)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000440650422 330753547 /nfs/dbraw/zinc/75/35/47/330753547.db2.gz SKRDIUJLFZYPEO-AWEZNQCLSA-N 1 2 268.364 3.036 20 30 CGEDLO C=CCCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441484318 330770073 /nfs/dbraw/zinc/77/00/73/330770073.db2.gz AATDPQRGVMUTTN-KRWDZBQOSA-N 1 2 297.402 3.324 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@H]2CCC(F)(F)C2)CCC[C@]12CCCCO2 ZINC000450880922 331004392 /nfs/dbraw/zinc/00/43/92/331004392.db2.gz LLBFZWRORVXVMK-SOUVJXGZSA-N 1 2 298.377 3.349 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@H]2CCC(F)(F)C2)CCC[C@]12CCCCO2 ZINC000450880922 331004393 /nfs/dbraw/zinc/00/43/93/331004393.db2.gz LLBFZWRORVXVMK-SOUVJXGZSA-N 1 2 298.377 3.349 20 30 CGEDLO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1COC1 ZINC000451122165 331016539 /nfs/dbraw/zinc/01/65/39/331016539.db2.gz WXRHCMOPDMAEDZ-UHFFFAOYSA-N 1 2 297.320 3.166 20 30 CGEDLO CC(C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1COC1 ZINC000451122165 331016540 /nfs/dbraw/zinc/01/65/40/331016540.db2.gz WXRHCMOPDMAEDZ-UHFFFAOYSA-N 1 2 297.320 3.166 20 30 CGEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459487751 331284514 /nfs/dbraw/zinc/28/45/14/331284514.db2.gz WBWLKMMLRTXLHS-CABZTGNLSA-N 1 2 279.727 3.030 20 30 CGEDLO C=CCCC[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000459614625 331290665 /nfs/dbraw/zinc/29/06/65/331290665.db2.gz WFBSHELFEKTXOC-OAHLLOKOSA-N 1 2 261.365 3.073 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000488368515 332002447 /nfs/dbraw/zinc/00/24/47/332002447.db2.gz PQNNNEOGRPVHLE-UHFFFAOYSA-N 1 2 280.331 3.111 20 30 CGEDLO C=CCn1cccc1C(=O)Nc1ccc2[nH+]c(C)[nH]c2c1 ZINC000488368515 332002448 /nfs/dbraw/zinc/00/24/48/332002448.db2.gz PQNNNEOGRPVHLE-UHFFFAOYSA-N 1 2 280.331 3.111 20 30 CGEDLO C#C[C@@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C(C)C ZINC000491099356 332149662 /nfs/dbraw/zinc/14/96/62/332149662.db2.gz AQZIPISEHYDWGU-MRXNPFEDSA-N 1 2 294.354 3.262 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000491473629 332217846 /nfs/dbraw/zinc/21/78/46/332217846.db2.gz GELUOSWDONBERE-CYBMUJFWSA-N 1 2 286.400 3.176 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000491473629 332217848 /nfs/dbraw/zinc/21/78/48/332217848.db2.gz GELUOSWDONBERE-CYBMUJFWSA-N 1 2 286.400 3.176 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000491543997 332234022 /nfs/dbraw/zinc/23/40/22/332234022.db2.gz JKGZGDICJQSTIB-GFCCVEGCSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000491543997 332234023 /nfs/dbraw/zinc/23/40/23/332234023.db2.gz JKGZGDICJQSTIB-GFCCVEGCSA-N 1 2 254.333 3.104 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000491617166 332244159 /nfs/dbraw/zinc/24/41/59/332244159.db2.gz BUMMVOLOTXFHSW-HNNXBMFYSA-N 1 2 270.719 3.269 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc2ccc(C)cn12)c1ccc(F)cc1 ZINC000491730570 332312527 /nfs/dbraw/zinc/31/25/27/332312527.db2.gz PHRFWCCQNTUYKP-QGZVFWFLSA-N 1 2 293.345 3.246 20 30 CGEDLO C=CC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000500838692 332619882 /nfs/dbraw/zinc/61/98/82/332619882.db2.gz ZUSUJFLTGWSDQM-HIFRSBDPSA-N 1 2 261.365 3.153 20 30 CGEDLO CC#CCCCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000186087133 333154702 /nfs/dbraw/zinc/15/47/02/333154702.db2.gz OVFVKJWYILVEQN-UHFFFAOYSA-N 1 2 274.364 3.391 20 30 CGEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000192228519 333233015 /nfs/dbraw/zinc/23/30/15/333233015.db2.gz ZFXHGAHWFKDCKW-OAHLLOKOSA-N 1 2 292.382 3.246 20 30 CGEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000192228519 333233016 /nfs/dbraw/zinc/23/30/16/333233016.db2.gz ZFXHGAHWFKDCKW-OAHLLOKOSA-N 1 2 292.382 3.246 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000227354582 333281599 /nfs/dbraw/zinc/28/15/99/333281599.db2.gz RPFWALZPXQDDGA-UHFFFAOYSA-N 1 2 271.389 3.422 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc(F)c2F)c1 ZINC000545219927 333970484 /nfs/dbraw/zinc/97/04/84/333970484.db2.gz PPIHUBZYGNYTSH-UHFFFAOYSA-N 1 2 259.259 3.038 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000546630375 334042032 /nfs/dbraw/zinc/04/20/32/334042032.db2.gz VEXSKVUDWOZECB-HOCLYGCPSA-N 1 2 297.402 3.228 20 30 CGEDLO CCOc1ccccc1CNc1cc(CC#N)cc[nH+]1 ZINC000547341421 334081440 /nfs/dbraw/zinc/08/14/40/334081440.db2.gz XTSMKPYSEMGITE-UHFFFAOYSA-N 1 2 267.332 3.158 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000547342418 334081765 /nfs/dbraw/zinc/08/17/65/334081765.db2.gz FYEPSPDVHCMGEN-UHFFFAOYSA-N 1 2 297.749 3.061 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(=O)OC(C)C)cc1)C[C@H](C)C#N ZINC000135017435 334112297 /nfs/dbraw/zinc/11/22/97/334112297.db2.gz MUETZJQOQCZBOG-CQSZACIVSA-N 1 2 288.391 3.233 20 30 CGEDLO CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)C[C@H](C)C#N ZINC000135017435 334112298 /nfs/dbraw/zinc/11/22/98/334112298.db2.gz MUETZJQOQCZBOG-CQSZACIVSA-N 1 2 288.391 3.233 20 30 CGEDLO C=C(CC)C[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000548302568 334149628 /nfs/dbraw/zinc/14/96/28/334149628.db2.gz IILGCULXKHXHTR-INIZCTEOSA-N 1 2 275.392 3.059 20 30 CGEDLO C=C(CC)C[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000548302568 334149629 /nfs/dbraw/zinc/14/96/29/334149629.db2.gz IILGCULXKHXHTR-INIZCTEOSA-N 1 2 275.392 3.059 20 30 CGEDLO C=C(C)C[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551407025 334249460 /nfs/dbraw/zinc/24/94/60/334249460.db2.gz RYKLPHAAVILESX-AWEZNQCLSA-N 1 2 255.283 3.411 20 30 CGEDLO C=C(C)C[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551407025 334249462 /nfs/dbraw/zinc/24/94/62/334249462.db2.gz RYKLPHAAVILESX-AWEZNQCLSA-N 1 2 255.283 3.411 20 30 CGEDLO C=CCCCCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566305276 334641719 /nfs/dbraw/zinc/64/17/19/334641719.db2.gz VGWRAMDZAMWZIT-AWEZNQCLSA-N 1 2 263.385 3.039 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)s1 ZINC000185010326 335943997 /nfs/dbraw/zinc/94/39/97/335943997.db2.gz SJSLDRJZUXRUBC-SNVBAGLBSA-N 1 2 275.352 3.313 20 30 CGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000184980673 522036287 /nfs/dbraw/zinc/03/62/87/522036287.db2.gz LMKXZKWYWNVRCH-NSHDSACASA-N 1 2 287.388 3.183 20 30 CGEDLO Cc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329231781 534672969 /nfs/dbraw/zinc/67/29/69/534672969.db2.gz FMOUZILDGFRXAD-CQSZACIVSA-N 1 2 298.390 3.452 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000439435082 534781014 /nfs/dbraw/zinc/78/10/14/534781014.db2.gz UQKWTNCCKQKFDQ-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000439435082 534781016 /nfs/dbraw/zinc/78/10/16/534781016.db2.gz UQKWTNCCKQKFDQ-UHFFFAOYSA-N 1 2 290.794 3.357 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000114712524 526546479 /nfs/dbraw/zinc/54/64/79/526546479.db2.gz CCFRZOQEGTVUEO-UHFFFAOYSA-N 1 2 293.436 3.056 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000114712524 526546485 /nfs/dbraw/zinc/54/64/85/526546485.db2.gz CCFRZOQEGTVUEO-UHFFFAOYSA-N 1 2 293.436 3.056 20 30 CGEDLO C=C(CC)C[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000347448359 526855086 /nfs/dbraw/zinc/85/50/86/526855086.db2.gz CTZVPORPUDYIJP-CYBMUJFWSA-N 1 2 274.412 3.279 20 30 CGEDLO C=C(CC)C[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000347448359 526855092 /nfs/dbraw/zinc/85/50/92/526855092.db2.gz CTZVPORPUDYIJP-CYBMUJFWSA-N 1 2 274.412 3.279 20 30 CGEDLO C=CC[N@@H+](Cn1c2c(sc1=O)C[C@@H](CC)CC2)C(C)C ZINC000728045458 571785689 /nfs/dbraw/zinc/78/56/89/571785689.db2.gz SVGLLPHGJJRYCI-ZDUSSCGKSA-N 1 2 294.464 3.279 20 30 CGEDLO C=CC[N@H+](Cn1c2c(sc1=O)C[C@@H](CC)CC2)C(C)C ZINC000728045458 571785693 /nfs/dbraw/zinc/78/56/93/571785693.db2.gz SVGLLPHGJJRYCI-ZDUSSCGKSA-N 1 2 294.464 3.279 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccco1 ZINC000730148598 571951603 /nfs/dbraw/zinc/95/16/03/571951603.db2.gz YPTOTIVRGJXIHT-UHFFFAOYSA-N 1 2 251.289 3.086 20 30 CGEDLO Oc1cccc(/C=[NH+]/C[C@H]2CCOc3ccccc32)c1O ZINC000731155651 572398387 /nfs/dbraw/zinc/39/83/87/572398387.db2.gz NVITXIPEMLLVRH-MBNTZHJCSA-N 1 2 283.327 3.083 20 30 CGEDLO O=C1c2ccc(Cl)c(Cl)c2OC/C1=C/c1[nH]cc[nH+]1 ZINC000731159079 572398900 /nfs/dbraw/zinc/39/89/00/572398900.db2.gz LYGLGZABONHFNC-ALCCZGGFSA-N 1 2 295.125 3.375 20 30 CGEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(F)cc2)cs1 ZINC000725792106 572404082 /nfs/dbraw/zinc/40/40/82/572404082.db2.gz VHXWCZVULDTWDJ-UHFFFAOYSA-N 1 2 293.367 3.072 20 30 CGEDLO C[C@H]1CC(/[NH+]=C/c2ccc(O)c(O)c2O)C[C@H](C)C1 ZINC000739426501 572414001 /nfs/dbraw/zinc/41/40/01/572414001.db2.gz MTWNFGHKCIFTFF-OFNOFRFJSA-N 1 2 263.337 3.047 20 30 CGEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741350218 572494314 /nfs/dbraw/zinc/49/43/14/572494314.db2.gz FFGGNFWSTGHQPL-OAHLLOKOSA-N 1 2 293.794 3.337 20 30 CGEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741350218 572494317 /nfs/dbraw/zinc/49/43/17/572494317.db2.gz FFGGNFWSTGHQPL-OAHLLOKOSA-N 1 2 293.794 3.337 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC000741465912 572500880 /nfs/dbraw/zinc/50/08/80/572500880.db2.gz ZJJAZWYYVNHZBS-LNKBOXHWSA-N 1 2 281.355 3.451 20 30 CGEDLO Cc1cc(C)cc(C[C@@H](C)/[NH+]=C\c2ccc(O)c(O)c2O)c1 ZINC000741844931 572534698 /nfs/dbraw/zinc/53/46/98/572534698.db2.gz REDALTYNRJODKJ-XTBHVRTMSA-N 1 2 299.370 3.470 20 30 CGEDLO N#Cc1ccc2c(c1)CC/C(=C\c1c[nH+]c3ccccn13)C2=O ZINC000742438442 572583832 /nfs/dbraw/zinc/58/38/32/572583832.db2.gz XGJJRMYCLAUKRM-XNTDXEJSSA-N 1 2 299.333 3.418 20 30 CGEDLO C=CC[N@H+](Cc1csc(N(C(C)=O)C2CC2)n1)C(C)C ZINC000734146198 572630686 /nfs/dbraw/zinc/63/06/86/572630686.db2.gz JNPJLPPRXTVAOD-UHFFFAOYSA-N 1 2 293.436 3.055 20 30 CGEDLO C=CC[N@@H+](Cc1csc(N(C(C)=O)C2CC2)n1)C(C)C ZINC000734146198 572630691 /nfs/dbraw/zinc/63/06/91/572630691.db2.gz JNPJLPPRXTVAOD-UHFFFAOYSA-N 1 2 293.436 3.055 20 30 CGEDLO Oc1cccc(C=Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1O ZINC000743334483 572647718 /nfs/dbraw/zinc/64/77/18/572647718.db2.gz YRJNEGAXAFWIDF-UHFFFAOYSA-N 1 2 279.299 3.239 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC000957068163 613295026 /nfs/dbraw/zinc/29/50/26/613295026.db2.gz PURDWLGZHAGUND-FUHWJXTLSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2c(C)csc2Cl)CC1 ZINC000957470149 613319876 /nfs/dbraw/zinc/31/98/76/613319876.db2.gz MCLCEXJHXDZNEN-UHFFFAOYSA-N 1 2 298.839 3.044 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964688967 613375747 /nfs/dbraw/zinc/37/57/47/613375747.db2.gz ZIFKXTGBAFKVBY-IUODEOHRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964688967 613375748 /nfs/dbraw/zinc/37/57/48/613375748.db2.gz ZIFKXTGBAFKVBY-IUODEOHRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000890890024 617891928 /nfs/dbraw/zinc/89/19/28/617891928.db2.gz GORVKUKTTWTZBG-HUUCEWRRSA-N 1 2 281.359 3.195 20 30 CGEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)ccc1F ZINC000255616444 618762834 /nfs/dbraw/zinc/76/28/34/618762834.db2.gz LLOJPLJJQXZRAH-VURMDHGXSA-N 1 2 296.301 3.378 20 30 CGEDLO Oc1ccccc1/C=[NH+]\CCCOCCc1ccccc1 ZINC000255639082 618770249 /nfs/dbraw/zinc/77/02/49/618770249.db2.gz DPGDIQPKRDNFFX-CYVLTUHYSA-N 1 2 283.371 3.461 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008081412 619050412 /nfs/dbraw/zinc/05/04/12/619050412.db2.gz DVTAMTSMNDLHEX-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008081412 619050415 /nfs/dbraw/zinc/05/04/15/619050415.db2.gz DVTAMTSMNDLHEX-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C#CC[C@@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925637452 619099891 /nfs/dbraw/zinc/09/98/91/619099891.db2.gz LLZXWMVGJSTBMI-CZUORRHYSA-N 1 2 282.391 3.022 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000893525307 619203990 /nfs/dbraw/zinc/20/39/90/619203990.db2.gz BRJOAKDHWHOPQJ-KRWDZBQOSA-N 1 2 269.392 3.086 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000893525307 619203992 /nfs/dbraw/zinc/20/39/92/619203992.db2.gz BRJOAKDHWHOPQJ-KRWDZBQOSA-N 1 2 269.392 3.086 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000893527408 619204176 /nfs/dbraw/zinc/20/41/76/619204176.db2.gz PHZXOBOTNUUGAG-GOSISDBHSA-N 1 2 283.419 3.395 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c2c(n1)CCCC2 ZINC000893527408 619204180 /nfs/dbraw/zinc/20/41/80/619204180.db2.gz PHZXOBOTNUUGAG-GOSISDBHSA-N 1 2 283.419 3.395 20 30 CGEDLO COc1cccc(/C=[NH+]/CCCN(C)c2ccccc2)c1O ZINC000005228472 619238481 /nfs/dbraw/zinc/23/84/81/619238481.db2.gz DWCRTYCXEKVKRR-XMHGGMMESA-N 1 2 298.386 3.346 20 30 CGEDLO NC(=[NH+]OCc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000048376217 619487027 /nfs/dbraw/zinc/48/70/27/619487027.db2.gz PJKAMYCZUJSHIB-UHFFFAOYSA-N 1 2 296.704 3.455 20 30 CGEDLO C#CC[N@H+](Cc1ccnn1C1CCC1)Cc1ccccc1 ZINC000894436498 619535828 /nfs/dbraw/zinc/53/58/28/619535828.db2.gz XCIJSIUQTGJLFD-UHFFFAOYSA-N 1 2 279.387 3.244 20 30 CGEDLO C#CC[N@@H+](Cc1ccnn1C1CCC1)Cc1ccccc1 ZINC000894436498 619535834 /nfs/dbraw/zinc/53/58/34/619535834.db2.gz XCIJSIUQTGJLFD-UHFFFAOYSA-N 1 2 279.387 3.244 20 30 CGEDLO Cc1cc(F)c(C#N)c(NCC(C)(C)n2cc[nH+]c2)c1 ZINC000894592311 619585289 /nfs/dbraw/zinc/58/52/89/619585289.db2.gz SQRYTBZCJSSEGT-UHFFFAOYSA-N 1 2 272.327 3.050 20 30 CGEDLO CCCc1ccc2[nH+]ccc(N3CCO[C@](C)(C#N)C3)c2c1 ZINC000896860909 620078441 /nfs/dbraw/zinc/07/84/41/620078441.db2.gz WRWZZMADYXUUMD-GOSISDBHSA-N 1 2 295.386 3.306 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000840709535 620103354 /nfs/dbraw/zinc/10/33/54/620103354.db2.gz NMOORJNGUCIYMF-XMDZYFHVSA-N 1 2 291.391 3.271 20 30 CGEDLO CCCCOC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340268 620244478 /nfs/dbraw/zinc/24/44/78/620244478.db2.gz DGCUPZUQHLMUQR-AWEZNQCLSA-N 1 2 288.391 3.284 20 30 CGEDLO CCCCOC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340268 620244482 /nfs/dbraw/zinc/24/44/82/620244482.db2.gz DGCUPZUQHLMUQR-AWEZNQCLSA-N 1 2 288.391 3.284 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000898244040 620496520 /nfs/dbraw/zinc/49/65/20/620496520.db2.gz AHSGZYOABXHGHQ-UHFFFAOYSA-N 1 2 255.793 3.170 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000898244040 620496522 /nfs/dbraw/zinc/49/65/22/620496522.db2.gz AHSGZYOABXHGHQ-UHFFFAOYSA-N 1 2 255.793 3.170 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\COc2c(F)cccc2C1=O ZINC000901466852 620896007 /nfs/dbraw/zinc/89/60/07/620896007.db2.gz CQWAMEVZJFPZQB-IZZDOVSWSA-N 1 2 286.306 3.262 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2c(OC)cccc2C1=O ZINC000901503202 620902757 /nfs/dbraw/zinc/90/27/57/620902757.db2.gz AXQHTHAMDUCPCO-XFXZXTDPSA-N 1 2 282.343 3.124 20 30 CGEDLO CCc1cccc2c1OC/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901507039 620904975 /nfs/dbraw/zinc/90/49/75/620904975.db2.gz SUNNQGKDDKBHRB-MDWZMJQESA-N 1 2 282.343 3.248 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/Cc2cccc(C)c2C1=O ZINC000901520919 620913129 /nfs/dbraw/zinc/91/31/29/620913129.db2.gz ZSHHDPWQNREYKA-JYRVWZFOSA-N 1 2 252.317 3.034 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\Cc2c(nccc2Cl)C1=O ZINC000901541296 620920547 /nfs/dbraw/zinc/92/05/47/620920547.db2.gz UMGJEHSXVYKFTR-BJMVGYQFSA-N 1 2 287.750 3.335 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)c(C)c1 ZINC000901516264 620923210 /nfs/dbraw/zinc/92/32/10/620923210.db2.gz DLFPAFVYEMXDPI-BQYQJAHWSA-N 1 2 270.332 3.240 20 30 CGEDLO Cc1nc(NCc2ccc(C(C)(C)C#N)cc2)cc[nH+]1 ZINC000902125039 621162941 /nfs/dbraw/zinc/16/29/41/621162941.db2.gz MHXYCCYZCDDUER-UHFFFAOYSA-N 1 2 266.348 3.198 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C)n(C2CC2)c1=S ZINC000902669470 621396220 /nfs/dbraw/zinc/39/62/20/621396220.db2.gz MUALWHZWHNDGLZ-UHFFFAOYSA-N 1 2 280.441 3.303 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C)n(C2CC2)c1=S ZINC000902669470 621396223 /nfs/dbraw/zinc/39/62/23/621396223.db2.gz MUALWHZWHNDGLZ-UHFFFAOYSA-N 1 2 280.441 3.303 20 30 CGEDLO C=CCCC[N@@H+](CC)Cn1nc(C)sc1=S ZINC000902668421 621396304 /nfs/dbraw/zinc/39/63/04/621396304.db2.gz ADPLMAZBFFYKRT-UHFFFAOYSA-N 1 2 257.428 3.228 20 30 CGEDLO C=CCCC[N@H+](CC)Cn1nc(C)sc1=S ZINC000902668421 621396307 /nfs/dbraw/zinc/39/63/07/621396307.db2.gz ADPLMAZBFFYKRT-UHFFFAOYSA-N 1 2 257.428 3.228 20 30 CGEDLO Cc1csc(C2([NH2+][C@H](C)c3cc(C#N)ccn3)CCC2)n1 ZINC000902908933 621494736 /nfs/dbraw/zinc/49/47/36/621494736.db2.gz WZEFTLUHRLHLLT-GFCCVEGCSA-N 1 2 298.415 3.448 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cccc(C#N)c3)n2c1 ZINC000151412110 622779461 /nfs/dbraw/zinc/77/94/61/622779461.db2.gz JDUUWLCKQLLUNV-VOTSOKGWSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1nncs1)CC1CCCCC1 ZINC000929623344 623484977 /nfs/dbraw/zinc/48/49/77/623484977.db2.gz AIDKBLQHLBPUBQ-UHFFFAOYSA-N 1 2 251.399 3.106 20 30 CGEDLO C=CC[N@H+](Cc1nncs1)CC1CCCCC1 ZINC000929623344 623484982 /nfs/dbraw/zinc/48/49/82/623484982.db2.gz AIDKBLQHLBPUBQ-UHFFFAOYSA-N 1 2 251.399 3.106 20 30 CGEDLO C[C@H](NN=C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000920382135 624485969 /nfs/dbraw/zinc/48/59/69/624485969.db2.gz DGMMUSNVHXWJAH-HNNXBMFYSA-N 1 2 294.402 3.389 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCc2ccccc2)c(O)c1 ZINC000920943575 624555775 /nfs/dbraw/zinc/55/57/75/624555775.db2.gz QGPFIELEIHLZMM-AQTBWJFISA-N 1 2 269.344 3.453 20 30 CGEDLO Cc1cncc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)c1 ZINC000184768076 625269994 /nfs/dbraw/zinc/26/99/94/625269994.db2.gz QYFRFGYZZDVOJG-SNAWJCMRSA-N 1 2 277.327 3.242 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)o1 ZINC000922103479 625970117 /nfs/dbraw/zinc/97/01/17/625970117.db2.gz YWHKVEAHBWBLPM-CYBMUJFWSA-N 1 2 269.348 3.322 20 30 CGEDLO N#CC[N@H+](CCCOc1ccc(C#N)cc1)C1CCCC1 ZINC000172571143 626090024 /nfs/dbraw/zinc/09/00/24/626090024.db2.gz RCYXGBRVONKJER-UHFFFAOYSA-N 1 2 283.375 3.095 20 30 CGEDLO N#CC[N@@H+](CCCOc1ccc(C#N)cc1)C1CCCC1 ZINC000172571143 626090027 /nfs/dbraw/zinc/09/00/27/626090027.db2.gz RCYXGBRVONKJER-UHFFFAOYSA-N 1 2 283.375 3.095 20 30 CGEDLO COc1cc(F)cc(N[NH+]=C(C)c2ccc(N)cc2)c1 ZINC000759205983 626881239 /nfs/dbraw/zinc/88/12/39/626881239.db2.gz IMGZAKMUPXKAER-UHFFFAOYSA-N 1 2 273.311 3.253 20 30 CGEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851947 626926457 /nfs/dbraw/zinc/92/64/57/626926457.db2.gz WZBKCDCPKLJGCV-MEBBXXQBSA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851947 626926461 /nfs/dbraw/zinc/92/64/61/626926461.db2.gz WZBKCDCPKLJGCV-MEBBXXQBSA-N 1 2 296.773 3.137 20 30 CGEDLO C#Cc1cccc(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC000874343201 634537542 /nfs/dbraw/zinc/53/75/42/634537542.db2.gz VDPPUBHFWSIHHF-QGZVFWFLSA-N 1 2 295.386 3.115 20 30 CGEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000760843211 626995655 /nfs/dbraw/zinc/99/56/55/626995655.db2.gz LZLFSEBYRWDPIY-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000760843211 626995657 /nfs/dbraw/zinc/99/56/57/626995657.db2.gz LZLFSEBYRWDPIY-AWEZNQCLSA-N 1 2 283.293 3.102 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1cnc(C2CC2)s1 ZINC000761808675 627062131 /nfs/dbraw/zinc/06/21/31/627062131.db2.gz DFPSRPPGFIUWCW-UHFFFAOYSA-N 1 2 294.383 3.437 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1ccnc2cc(Cl)ccc21 ZINC000764658057 627216712 /nfs/dbraw/zinc/21/67/12/627216712.db2.gz LDGOXQRHTNRWIT-UHFFFAOYSA-N 1 2 297.749 3.311 20 30 CGEDLO CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccccc1N(C)C ZINC000769568072 627566944 /nfs/dbraw/zinc/56/69/44/627566944.db2.gz XOXLYCNLYWHLLR-UHFFFAOYSA-N 1 2 298.346 3.497 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000769977280 627594205 /nfs/dbraw/zinc/59/42/05/627594205.db2.gz DGFRKLLSPNSLIO-ZIAGYGMSSA-N 1 2 272.392 3.092 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000769977280 627594209 /nfs/dbraw/zinc/59/42/09/627594209.db2.gz DGFRKLLSPNSLIO-ZIAGYGMSSA-N 1 2 272.392 3.092 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(F)cn1 ZINC000770607561 627631213 /nfs/dbraw/zinc/63/12/13/627631213.db2.gz YTBARJOCXOUHGM-UHFFFAOYSA-N 1 2 280.306 3.027 20 30 CGEDLO Cc1cc(C)cc(NN=Cc2cccc3[nH+]ccn32)c1 ZINC000771099748 627683274 /nfs/dbraw/zinc/68/32/74/627683274.db2.gz ZHBDMTFUQOLSAL-UHFFFAOYSA-N 1 2 264.332 3.397 20 30 CGEDLO Cc1cccn2c(/C=C3\Oc4cc(F)ccc4C3=O)c[nH+]c12 ZINC000773171940 627864966 /nfs/dbraw/zinc/86/49/66/627864966.db2.gz KUYMVPCFWKMQHL-NVNXTCNLSA-N 1 2 294.285 3.398 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776104377 628167557 /nfs/dbraw/zinc/16/75/57/628167557.db2.gz VGCPPQHZJRFPAX-CYBMUJFWSA-N 1 2 270.332 3.384 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1c[nH+]c2cccc(C)n12 ZINC000776191982 628179093 /nfs/dbraw/zinc/17/90/93/628179093.db2.gz KXEKTWRDQWEERP-FPLPWBNLSA-N 1 2 291.354 3.496 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776221348 628181988 /nfs/dbraw/zinc/18/19/88/628181988.db2.gz VLNWODJOANFUBJ-UHFFFAOYSA-N 1 2 290.725 3.346 20 30 CGEDLO C=C(C)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000777746982 628297825 /nfs/dbraw/zinc/29/78/25/628297825.db2.gz QAPHRXUTIBTGQB-OAHLLOKOSA-N 1 2 275.392 3.310 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805754698 628758545 /nfs/dbraw/zinc/75/85/45/628758545.db2.gz ZKLXMZLXRVSIBJ-QMMMGPOBSA-N 1 2 277.236 3.437 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000805754698 628758549 /nfs/dbraw/zinc/75/85/49/628758549.db2.gz ZKLXMZLXRVSIBJ-QMMMGPOBSA-N 1 2 277.236 3.437 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000788506146 629060735 /nfs/dbraw/zinc/06/07/35/629060735.db2.gz AUHVODPKUVBLGX-UHFFFAOYSA-N 1 2 297.305 3.323 20 30 CGEDLO Cc1cccnc1N=NC(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000790190352 629191825 /nfs/dbraw/zinc/19/18/25/629191825.db2.gz JKYPWVIMJGUQJQ-UHFFFAOYSA-N 1 2 291.358 3.412 20 30 CGEDLO O=C1c2ccc(F)cc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000119141443 629446285 /nfs/dbraw/zinc/44/62/85/629446285.db2.gz QKQCGRASOHQTOB-FMIVXFBMSA-N 1 2 278.286 3.296 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119535777 629613538 /nfs/dbraw/zinc/61/35/38/629613538.db2.gz IAXRQYLHIRBSRP-LBPRGKRZSA-N 1 2 292.452 3.167 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119535777 629613541 /nfs/dbraw/zinc/61/35/41/629613541.db2.gz IAXRQYLHIRBSRP-LBPRGKRZSA-N 1 2 292.452 3.167 20 30 CGEDLO CC(N=Nc1cccc(F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000795007656 629621690 /nfs/dbraw/zinc/62/16/90/629621690.db2.gz KYHICYPJEPLLGJ-UHFFFAOYSA-N 1 2 295.321 3.243 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000796633997 629808377 /nfs/dbraw/zinc/80/83/77/629808377.db2.gz WPPLXEJDQPRIDU-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000796633997 629808380 /nfs/dbraw/zinc/80/83/80/629808380.db2.gz WPPLXEJDQPRIDU-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCC23CCOCC3)c1 ZINC000864348273 629817102 /nfs/dbraw/zinc/81/71/02/629817102.db2.gz IEYOYRGKFPOIGD-XWAFYUISSA-N 1 2 289.375 3.027 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCCSC(C)(C)C)ccc1F ZINC000802727948 630406588 /nfs/dbraw/zinc/40/65/88/630406588.db2.gz DYBAJXNCUMCYNS-UHFFFAOYSA-N 1 2 284.400 3.303 20 30 CGEDLO C=CC[C@@H](C(=O)OCCCc1[nH+]ccn1C)c1ccccc1 ZINC000802787893 630411867 /nfs/dbraw/zinc/41/18/67/630411867.db2.gz MSXSRUDDTYQZLJ-MRXNPFEDSA-N 1 2 298.386 3.256 20 30 CGEDLO C[C@@]1(F)CCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000840102065 630593098 /nfs/dbraw/zinc/59/30/98/630593098.db2.gz ZZKPYKYXSQWEBV-QGZVFWFLSA-N 1 2 298.365 3.203 20 30 CGEDLO C[C@@]1(F)CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000840102065 630593100 /nfs/dbraw/zinc/59/31/00/630593100.db2.gz ZZKPYKYXSQWEBV-QGZVFWFLSA-N 1 2 298.365 3.203 20 30 CGEDLO Nc1ccc(C=[NH+]Nc2ccccc2C(F)(F)F)cn1 ZINC000807943918 630607775 /nfs/dbraw/zinc/60/77/75/630607775.db2.gz NVRLZMNPIFQIJW-UHFFFAOYSA-N 1 2 280.253 3.129 20 30 CGEDLO CC(C)C1CCC(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000809576198 630753837 /nfs/dbraw/zinc/75/38/37/630753837.db2.gz RCGOJSGMQWFXFQ-HTWSVDAQSA-N 1 2 289.467 3.121 20 30 CGEDLO CC(C)C1CCC(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000809576198 630753839 /nfs/dbraw/zinc/75/38/39/630753839.db2.gz RCGOJSGMQWFXFQ-HTWSVDAQSA-N 1 2 289.467 3.121 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(C(F)(F)F)c1 ZINC000812826976 631320656 /nfs/dbraw/zinc/32/06/56/631320656.db2.gz YCRJWQAWBRGQOR-UHFFFAOYSA-N 1 2 285.313 3.472 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(C(F)(F)F)c1 ZINC000812826976 631320661 /nfs/dbraw/zinc/32/06/61/631320661.db2.gz YCRJWQAWBRGQOR-UHFFFAOYSA-N 1 2 285.313 3.472 20 30 CGEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccsc2C)c1 ZINC000816494149 631993680 /nfs/dbraw/zinc/99/36/80/631993680.db2.gz ZKZGJQMKOAIKLJ-UHFFFAOYSA-N 1 2 298.411 3.108 20 30 CGEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccsc2C)c1 ZINC000816494149 631993685 /nfs/dbraw/zinc/99/36/85/631993685.db2.gz ZKZGJQMKOAIKLJ-UHFFFAOYSA-N 1 2 298.411 3.108 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CC23CCSCC3)c1 ZINC000817708064 632202087 /nfs/dbraw/zinc/20/20/87/632202087.db2.gz RUUWHVKZESTZES-VGSSETLESA-N 1 2 291.416 3.353 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CC12CCSCC2 ZINC000817708048 632202174 /nfs/dbraw/zinc/20/21/74/632202174.db2.gz RMQBNWOWTOFARQ-BVTUPMQUSA-N 1 2 261.390 3.344 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1c(C)noc1C ZINC000820640207 632658124 /nfs/dbraw/zinc/65/81/24/632658124.db2.gz SSZPYEUBRGSVHN-UHFFFAOYSA-N 1 2 285.347 3.091 20 30 CGEDLO C[C@H]([NH2+]CCc1cccs1)c1cccc(C#N)c1O ZINC000866215860 633033192 /nfs/dbraw/zinc/03/31/92/633033192.db2.gz MBLDNADZJVYGTN-NSHDSACASA-N 1 2 272.373 3.219 20 30 CGEDLO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866273451 633057781 /nfs/dbraw/zinc/05/77/81/633057781.db2.gz MQCWAGHYZWOJHN-NEPJUHHUSA-N 1 2 276.380 3.118 20 30 CGEDLO CSC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866276322 633060084 /nfs/dbraw/zinc/06/00/84/633060084.db2.gz NRMQIMHHZVKTSY-SNVBAGLBSA-N 1 2 264.394 3.056 20 30 CGEDLO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000866389661 633117183 /nfs/dbraw/zinc/11/71/83/633117183.db2.gz HUVOXECMHWKXEY-HZMBPMFUSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@H]([NH2+]CCC1SCCS1)c1cccc(C#N)c1O ZINC000866391735 633119421 /nfs/dbraw/zinc/11/94/21/633119421.db2.gz OOHFEFWALHWBOH-JTQLQIEISA-N 1 2 294.445 3.111 20 30 CGEDLO CCSC1(C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866394039 633120569 /nfs/dbraw/zinc/12/05/69/633120569.db2.gz SIZRMMWAODDWGZ-LLVKDONJSA-N 1 2 276.405 3.200 20 30 CGEDLO C=C(Br)C[NH2+]C1(c2ccccc2OC)CC1 ZINC000829693673 633767805 /nfs/dbraw/zinc/76/78/05/633767805.db2.gz OOSTYJRUJMAJTJ-UHFFFAOYSA-N 1 2 282.181 3.183 20 30 CGEDLO COc1ccc2c(c1)CCC[N@H+]2C[C@@H](C)CCC#N ZINC000877180163 635008125 /nfs/dbraw/zinc/00/81/25/635008125.db2.gz IELXXEZHDQFRJW-ZDUSSCGKSA-N 1 2 258.365 3.388 20 30 CGEDLO COc1ccc2c(c1)CCC[N@@H+]2C[C@@H](C)CCC#N ZINC000877180163 635008136 /nfs/dbraw/zinc/00/81/36/635008136.db2.gz IELXXEZHDQFRJW-ZDUSSCGKSA-N 1 2 258.365 3.388 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000840714012 635040410 /nfs/dbraw/zinc/04/04/10/635040410.db2.gz WTJMCDMNSFICIJ-NFZPIQDPSA-N 1 2 277.364 3.023 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccnc(Cl)c2Cl)CCC1 ZINC000841895793 635250348 /nfs/dbraw/zinc/25/03/48/635250348.db2.gz CCGWXLNVFQBCSE-UHFFFAOYSA-N 1 2 270.163 3.172 20 30 CGEDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000880109051 635916245 /nfs/dbraw/zinc/91/62/45/635916245.db2.gz OQGUPGSPRRIRLZ-NSHDSACASA-N 1 2 286.766 3.161 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C3 ZINC000880369796 635983285 /nfs/dbraw/zinc/98/32/85/635983285.db2.gz PRNMSAVDXQRRRA-OLZOCXBDSA-N 1 2 295.386 3.227 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C3 ZINC000880369796 635983290 /nfs/dbraw/zinc/98/32/90/635983290.db2.gz PRNMSAVDXQRRRA-OLZOCXBDSA-N 1 2 295.386 3.227 20 30 CGEDLO CC(C)[C@@H](C/[NH+]=C/c1ccccc1O)C(=O)OC(C)(C)C ZINC000846756241 636230703 /nfs/dbraw/zinc/23/07/03/636230703.db2.gz IQJLFYMLQJIJMW-YFEUJDIGSA-N 1 2 291.391 3.425 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1csc(Cl)c1 ZINC000848417385 636572313 /nfs/dbraw/zinc/57/23/13/636572313.db2.gz XIKVSHWZBZAATE-UHFFFAOYSA-N 1 2 282.800 3.002 20 30 CGEDLO CSc1ccc(C(C)=NNCCCn2cc[nH+]c2)cc1 ZINC000848417777 636572388 /nfs/dbraw/zinc/57/23/88/636572388.db2.gz FOFMGHIWSROAGE-UHFFFAOYSA-N 1 2 288.420 3.009 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H](C)C1CCCCC1 ZINC000848418257 636573380 /nfs/dbraw/zinc/57/33/80/636573380.db2.gz KKVHTHPYPRHKMD-CQSZACIVSA-N 1 2 276.428 3.455 20 30 CGEDLO C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000883392242 636737303 /nfs/dbraw/zinc/73/73/03/636737303.db2.gz CTXPXZLSVTWSGS-FZMZJTMJSA-N 1 2 283.799 3.413 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCC2CC(OC)C2)c1O ZINC000849171352 636763043 /nfs/dbraw/zinc/76/30/43/636763043.db2.gz UMQCJDGHGTZWQZ-BOPFTXTBSA-N 1 2 277.364 3.025 20 30 CGEDLO C=C(Br)C[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000134493507 637024970 /nfs/dbraw/zinc/02/49/70/637024970.db2.gz XTXPTENOQQUXIP-AWEZNQCLSA-N 1 2 298.224 3.168 20 30 CGEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000134493507 637024978 /nfs/dbraw/zinc/02/49/78/637024978.db2.gz XTXPTENOQQUXIP-AWEZNQCLSA-N 1 2 298.224 3.168 20 30 CGEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(-c2ccccc2)no1 ZINC000852098336 637591029 /nfs/dbraw/zinc/59/10/29/637591029.db2.gz KURGMASLWKVCKS-BLLLJJGKSA-N 1 2 269.348 3.189 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000852101954 637595741 /nfs/dbraw/zinc/59/57/41/637595741.db2.gz ITDMBZVQSVKNDZ-HNNXBMFYSA-N 1 2 289.766 3.282 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)c1ccncc1 ZINC000853412897 637839287 /nfs/dbraw/zinc/83/92/87/637839287.db2.gz JPKUAGADHONIIS-OAHLLOKOSA-N 1 2 295.386 3.484 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCOC(C)(C)C1 ZINC000853458873 637848095 /nfs/dbraw/zinc/84/80/95/637848095.db2.gz VXIQEGFPNVEKBM-AWEZNQCLSA-N 1 2 288.391 3.243 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)CCOC ZINC000853478332 637852220 /nfs/dbraw/zinc/85/22/20/637852220.db2.gz GGOZAGKKTJWDBA-UHFFFAOYSA-N 1 2 290.407 3.348 20 30 CGEDLO CC(C)c1cn(C[N@@H+]2CCC[C@H](CC#N)C2)c(=S)n1C ZINC000853525231 637861030 /nfs/dbraw/zinc/86/10/30/637861030.db2.gz UIGPRXLOOSUZKI-CYBMUJFWSA-N 1 2 292.452 3.263 20 30 CGEDLO CC(C)c1cn(C[N@H+]2CCC[C@H](CC#N)C2)c(=S)n1C ZINC000853525231 637861033 /nfs/dbraw/zinc/86/10/33/637861033.db2.gz UIGPRXLOOSUZKI-CYBMUJFWSA-N 1 2 292.452 3.263 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000853525756 637861550 /nfs/dbraw/zinc/86/15/50/637861550.db2.gz ZSVQZSJTAYEFJV-ZDUSSCGKSA-N 1 2 286.404 3.195 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000853525756 637861554 /nfs/dbraw/zinc/86/15/54/637861554.db2.gz ZSVQZSJTAYEFJV-ZDUSSCGKSA-N 1 2 286.404 3.195 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853702933 637895925 /nfs/dbraw/zinc/89/59/25/637895925.db2.gz OPZZZOWGVIEVKM-BTTYYORXSA-N 1 2 256.349 3.084 20 30 CGEDLO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925033151 638439734 /nfs/dbraw/zinc/43/97/34/638439734.db2.gz KIFWZLSVHTXEAL-HOTGVXAUSA-N 1 2 290.407 3.102 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cncc(OCC)c1 ZINC000857045974 638441196 /nfs/dbraw/zinc/44/11/96/638441196.db2.gz CPBUPPIYPUEZAJ-UHFFFAOYSA-N 1 2 280.371 3.116 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cncc(OCC)c1 ZINC000857045974 638441200 /nfs/dbraw/zinc/44/12/00/638441200.db2.gz CPBUPPIYPUEZAJ-UHFFFAOYSA-N 1 2 280.371 3.116 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc(C#N)c1O ZINC000925087015 638449772 /nfs/dbraw/zinc/44/97/72/638449772.db2.gz AZPZZNVBRWWZDM-DZGCQCFKSA-N 1 2 290.407 3.102 20 30 CGEDLO CCC[C@H](CCO)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925186969 638471202 /nfs/dbraw/zinc/47/12/02/638471202.db2.gz UWAJBEIZRJGYDE-CJNGLKHVSA-N 1 2 290.407 3.103 20 30 CGEDLO CCCCCCCCCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857944007 638607444 /nfs/dbraw/zinc/60/74/44/638607444.db2.gz ISGYJOPXXGERIP-HNNXBMFYSA-N 1 2 291.439 3.455 20 30 CGEDLO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc(C#N)c1O ZINC000926459984 638773443 /nfs/dbraw/zinc/77/34/43/638773443.db2.gz SVGNENIVRHRJBJ-WBVHZDCISA-N 1 2 288.391 3.120 20 30 CGEDLO C=C/C=C/CC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926842188 638816915 /nfs/dbraw/zinc/81/69/15/638816915.db2.gz BWDYQUOWICAOCE-LLYBFZRZSA-N 1 2 256.349 3.437 20 30 CGEDLO CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1O ZINC000926869108 638819329 /nfs/dbraw/zinc/81/93/29/638819329.db2.gz PORSTOMLZIGBQK-OAHLLOKOSA-N 1 2 297.358 3.370 20 30 CGEDLO Cc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1C#N ZINC000926960238 638829245 /nfs/dbraw/zinc/82/92/45/638829245.db2.gz FWYORPUPBAXCMT-WMZOPIPTSA-N 1 2 296.345 3.428 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(CC)o1)Cc1cccc(C#N)c1 ZINC000929364979 638921518 /nfs/dbraw/zinc/92/15/18/638921518.db2.gz TZWRNPRPAPOQQZ-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO C=CC[N@H+](Cc1cnc(CC)o1)Cc1cccc(C#N)c1 ZINC000929364979 638921520 /nfs/dbraw/zinc/92/15/20/638921520.db2.gz TZWRNPRPAPOQQZ-UHFFFAOYSA-N 1 2 281.359 3.297 20 30 CGEDLO N#Cc1cccc(C2([NH2+]Cc3c(F)cncc3F)CC2)c1 ZINC000930219186 638983810 /nfs/dbraw/zinc/98/38/10/638983810.db2.gz JGMIVGNCABUMIA-UHFFFAOYSA-N 1 2 285.297 3.010 20 30 CGEDLO C#CC[C@@H](COC)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000858860760 639031394 /nfs/dbraw/zinc/03/13/94/639031394.db2.gz OEIHUZPSGVTXKP-JTQLQIEISA-N 1 2 292.741 3.478 20 30 CGEDLO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000930924358 639087383 /nfs/dbraw/zinc/08/73/83/639087383.db2.gz TXFLTAKMFREJAG-LBPRGKRZSA-N 1 2 264.319 3.399 20 30 CGEDLO Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000930924358 639087390 /nfs/dbraw/zinc/08/73/90/639087390.db2.gz TXFLTAKMFREJAG-LBPRGKRZSA-N 1 2 264.319 3.399 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC000860105459 639282315 /nfs/dbraw/zinc/28/23/15/639282315.db2.gz DNBQZHQIPCIBRF-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)nc1)C2 ZINC000860105459 639282321 /nfs/dbraw/zinc/28/23/21/639282321.db2.gz DNBQZHQIPCIBRF-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO C#CC[N@@H+](Cc1csc([C@H](C)OC)n1)C(C)(C)C ZINC000932465138 639338146 /nfs/dbraw/zinc/33/81/46/639338146.db2.gz XOIHTIICJAZLTA-NSHDSACASA-N 1 2 266.410 3.084 20 30 CGEDLO C#CC[N@H+](Cc1csc([C@H](C)OC)n1)C(C)(C)C ZINC000932465138 639338149 /nfs/dbraw/zinc/33/81/49/639338149.db2.gz XOIHTIICJAZLTA-NSHDSACASA-N 1 2 266.410 3.084 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CCCc1nc2ccccc2[nH]1 ZINC000078264158 640298188 /nfs/dbraw/zinc/29/81/88/640298188.db2.gz QCJCTDIWJKRBIY-LDADJPATSA-N 1 2 279.343 3.320 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009151602 640956758 /nfs/dbraw/zinc/95/67/58/640956758.db2.gz HBZCBBFDOIBMIA-HIFRSBDPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009151602 640956766 /nfs/dbraw/zinc/95/67/66/640956766.db2.gz HBZCBBFDOIBMIA-HIFRSBDPSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016360183 640997079 /nfs/dbraw/zinc/99/70/79/640997079.db2.gz OUIMAHWARSWPOU-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016360183 640997084 /nfs/dbraw/zinc/99/70/84/640997084.db2.gz OUIMAHWARSWPOU-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016361907 640997181 /nfs/dbraw/zinc/99/71/81/640997181.db2.gz ISEDQCXZHBMMSU-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016361907 640997185 /nfs/dbraw/zinc/99/71/85/640997185.db2.gz ISEDQCXZHBMMSU-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO COc1ccc(O[C@H](C)CNc2cc(CC#N)cc[nH+]2)cc1 ZINC001156079707 805649947 /nfs/dbraw/zinc/64/99/47/805649947.db2.gz CXWNMVHZYINZAG-CYBMUJFWSA-N 1 2 297.358 3.036 20 30 CGEDLO CCOc1ccc2[nH]c(Cc3ccc(C#N)cc3)[nH+]c2c1 ZINC001250588098 805710816 /nfs/dbraw/zinc/71/08/16/805710816.db2.gz YSNREBYSGUWDBV-UHFFFAOYSA-N 1 2 277.327 3.424 20 30 CGEDLO O=C1c2cccc(Cl)c2CC/C1=C/c1[nH]cc[nH+]1 ZINC001254745970 806488146 /nfs/dbraw/zinc/48/81/46/806488146.db2.gz IAUSLEQXKSQQIT-HJWRWDBZSA-N 1 2 258.708 3.276 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCCC ZINC001255314128 806606606 /nfs/dbraw/zinc/60/66/06/806606606.db2.gz WRVKETXSFVICQW-RDJZCZTQSA-N 1 2 289.419 3.495 20 30 CGEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255347852 806624190 /nfs/dbraw/zinc/62/41/90/806624190.db2.gz GPOLKHPJXJKEFM-OCCSQVGLSA-N 1 2 279.355 3.395 20 30 CGEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001255467152 806646502 /nfs/dbraw/zinc/64/65/02/806646502.db2.gz PSDBOEWSCJKVNB-INIZCTEOSA-N 1 2 287.363 3.039 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H]2CCCc3ccncc32)c1 ZINC001163168419 806712295 /nfs/dbraw/zinc/71/22/95/806712295.db2.gz WJOTYAKGUVGTMY-HNNXBMFYSA-N 1 2 264.332 3.032 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255848046 806767159 /nfs/dbraw/zinc/76/71/59/806767159.db2.gz VUGXYLRRDZOSOP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255848046 806767164 /nfs/dbraw/zinc/76/71/64/806767164.db2.gz VUGXYLRRDZOSOP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255848046 806767167 /nfs/dbraw/zinc/76/71/67/806767167.db2.gz VUGXYLRRDZOSOP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccccc1F)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001255848046 806767173 /nfs/dbraw/zinc/76/71/73/806767173.db2.gz VUGXYLRRDZOSOP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C=CC[C@H]1N(C(=O)[C@H](C)n2cc[nH+]c2)CCCC1(C)C ZINC001255919581 806788333 /nfs/dbraw/zinc/78/83/33/806788333.db2.gz NYDNJEZRJXRKHL-UONOGXRCSA-N 1 2 275.396 3.037 20 30 CGEDLO CC1(C)CCC[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000714361723 800120573 /nfs/dbraw/zinc/12/05/73/800120573.db2.gz FWDXHXXXXCUEGM-HNNXBMFYSA-N 1 2 270.376 3.222 20 30 CGEDLO CC1(C)CCC[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000714361723 800120577 /nfs/dbraw/zinc/12/05/77/800120577.db2.gz FWDXHXXXXCUEGM-HNNXBMFYSA-N 1 2 270.376 3.222 20 30 CGEDLO CC(F)(F)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000718633374 800218775 /nfs/dbraw/zinc/21/87/75/800218775.db2.gz YYLHLBNOSJTEOY-UHFFFAOYSA-N 1 2 250.292 3.309 20 30 CGEDLO CC(F)(F)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000718633374 800218777 /nfs/dbraw/zinc/21/87/77/800218777.db2.gz YYLHLBNOSJTEOY-UHFFFAOYSA-N 1 2 250.292 3.309 20 30 CGEDLO Cl/C=C\CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000811669112 800447703 /nfs/dbraw/zinc/44/77/03/800447703.db2.gz MIKIPIKOTIJRID-ZSJVGNMGSA-N 1 2 267.741 3.037 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932250354 800655469 /nfs/dbraw/zinc/65/54/69/800655469.db2.gz WHNJTSPTUZNNNV-ZDUSSCGKSA-N 1 2 279.181 3.004 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932250354 800655472 /nfs/dbraw/zinc/65/54/72/800655472.db2.gz WHNJTSPTUZNNNV-ZDUSSCGKSA-N 1 2 279.181 3.004 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000932384728 800663294 /nfs/dbraw/zinc/66/32/94/800663294.db2.gz WOOOAFYNWZUQGS-UHFFFAOYSA-N 1 2 299.201 3.276 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000932384728 800663297 /nfs/dbraw/zinc/66/32/97/800663297.db2.gz WOOOAFYNWZUQGS-UHFFFAOYSA-N 1 2 299.201 3.276 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081571 800829529 /nfs/dbraw/zinc/82/95/29/800829529.db2.gz UKWYIJIISDHNAY-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081571 800829533 /nfs/dbraw/zinc/82/95/33/800829533.db2.gz UKWYIJIISDHNAY-ZIAGYGMSSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329782 800958970 /nfs/dbraw/zinc/95/89/70/800958970.db2.gz SSLLOSNODXJHLD-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329782 800958976 /nfs/dbraw/zinc/95/89/76/800958976.db2.gz SSLLOSNODXJHLD-GJZGRUSLSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753318 800982454 /nfs/dbraw/zinc/98/24/54/800982454.db2.gz PHIKTLUQTQNUJG-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753318 800982459 /nfs/dbraw/zinc/98/24/59/800982459.db2.gz PHIKTLUQTQNUJG-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039052485 801141356 /nfs/dbraw/zinc/14/13/56/801141356.db2.gz AXZJKIZMRDHESR-YJBOKZPZSA-N 1 2 298.430 3.028 20 30 CGEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039052485 801141361 /nfs/dbraw/zinc/14/13/61/801141361.db2.gz AXZJKIZMRDHESR-YJBOKZPZSA-N 1 2 298.430 3.028 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2c(C)csc2Cl)C1 ZINC001044235209 801233066 /nfs/dbraw/zinc/23/30/66/801233066.db2.gz SPMSZGPGNMPUEZ-UHFFFAOYSA-N 1 2 298.839 3.042 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046609156 801319062 /nfs/dbraw/zinc/31/90/62/801319062.db2.gz SSDYFWMCWQZAAJ-BBRMVZONSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046609156 801319067 /nfs/dbraw/zinc/31/90/67/801319067.db2.gz SSDYFWMCWQZAAJ-BBRMVZONSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071716519 801547581 /nfs/dbraw/zinc/54/75/81/801547581.db2.gz WAZMIDSSKJJLTD-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071716519 801547585 /nfs/dbraw/zinc/54/75/85/801547585.db2.gz WAZMIDSSKJJLTD-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071752631 801549658 /nfs/dbraw/zinc/54/96/58/801549658.db2.gz KJANHQBNLMRYFH-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071752631 801549664 /nfs/dbraw/zinc/54/96/64/801549664.db2.gz KJANHQBNLMRYFH-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080396073 801652096 /nfs/dbraw/zinc/65/20/96/801652096.db2.gz XOLKIXXZPYQPRA-MRVWCRGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080396073 801652103 /nfs/dbraw/zinc/65/21/03/801652103.db2.gz XOLKIXXZPYQPRA-MRVWCRGKSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C ZINC001088868699 801812114 /nfs/dbraw/zinc/81/21/14/801812114.db2.gz UHPVTAOMQOUWOS-TUVASFSCSA-N 1 2 298.858 3.000 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C ZINC001088868699 801812119 /nfs/dbraw/zinc/81/21/19/801812119.db2.gz UHPVTAOMQOUWOS-TUVASFSCSA-N 1 2 298.858 3.000 20 30 CGEDLO Cc1ccc(CC#N)c(N2CC(F)(F)C[C@]2(C)CF)[nH+]1 ZINC001164568423 806958181 /nfs/dbraw/zinc/95/81/81/806958181.db2.gz WQAYHGBMQJBXQY-CYBMUJFWSA-N 1 2 283.297 3.030 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001109894908 802126987 /nfs/dbraw/zinc/12/69/87/802126987.db2.gz VFSXWFVVYGBGSY-RZFFKMDDSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001109894908 802126992 /nfs/dbraw/zinc/12/69/92/802126992.db2.gz VFSXWFVVYGBGSY-RZFFKMDDSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001109874790 802127970 /nfs/dbraw/zinc/12/79/70/802127970.db2.gz RZKPRCOIQDWBDV-ATGSNQNLSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001109874790 802127976 /nfs/dbraw/zinc/12/79/76/802127976.db2.gz RZKPRCOIQDWBDV-ATGSNQNLSA-N 1 2 298.858 3.287 20 30 CGEDLO Cc1cccn2c(/C=C\c3cc(C#N)ccn3)c[nH+]c12 ZINC001116855230 802419870 /nfs/dbraw/zinc/41/98/70/802419870.db2.gz UWOIZZOEPCQWGT-PLNGDYQASA-N 1 2 260.300 3.080 20 30 CGEDLO CCCCCCC[C@H](CCC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001172501335 808356804 /nfs/dbraw/zinc/35/68/04/808356804.db2.gz GOOOIXZHJFELIC-ILXRZTDVSA-N 1 2 287.444 3.028 20 30 CGEDLO C=CCCC(C)(C)NC(=O)NCc1cc[nH+]c(NCC)c1 ZINC001123725585 802965621 /nfs/dbraw/zinc/96/56/21/802965621.db2.gz WMEWQPYTKYVTGJ-UHFFFAOYSA-N 1 2 290.411 3.057 20 30 CGEDLO C#CCOc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001204991671 812813456 /nfs/dbraw/zinc/81/34/56/812813456.db2.gz QUCNNTBADDHECC-UHFFFAOYSA-N 1 2 263.300 3.090 20 30 CGEDLO N#CCCc1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001243901329 803067984 /nfs/dbraw/zinc/06/79/84/803067984.db2.gz ADKRMBJBDPWYAD-UHFFFAOYSA-N 1 2 293.370 3.041 20 30 CGEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(N)c(C#N)c2)cc1F ZINC001244117971 803195322 /nfs/dbraw/zinc/19/53/22/803195322.db2.gz LRXCSWFXJUMUMU-UHFFFAOYSA-N 1 2 287.313 3.147 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131815980 803347856 /nfs/dbraw/zinc/34/78/56/803347856.db2.gz ANVQRRFIIPXWIP-CHWSQXEVSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131815980 803347863 /nfs/dbraw/zinc/34/78/63/803347863.db2.gz ANVQRRFIIPXWIP-CHWSQXEVSA-N 1 2 286.847 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132282068 803391761 /nfs/dbraw/zinc/39/17/61/803391761.db2.gz HRWSVVAVCZAALC-ZIAGYGMSSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132282068 803391768 /nfs/dbraw/zinc/39/17/68/803391768.db2.gz HRWSVVAVCZAALC-ZIAGYGMSSA-N 1 2 298.858 3.144 20 30 CGEDLO COc1ccc(-c2ccc3[nH+]ccn3c2C)cc1C#N ZINC001244711196 803510078 /nfs/dbraw/zinc/51/00/78/803510078.db2.gz XBYJXCCBDHWIMF-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO N#Cc1cccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1F ZINC001245067440 803629387 /nfs/dbraw/zinc/62/93/87/803629387.db2.gz OSTPHJBVRBERRE-UHFFFAOYSA-N 1 2 281.212 3.360 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138244878 803880620 /nfs/dbraw/zinc/88/06/20/803880620.db2.gz NKZFDZWFXZZIPA-UHFFFAOYSA-N 1 2 292.766 3.194 20 30 CGEDLO COc1ccc(F)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001138373526 803908256 /nfs/dbraw/zinc/90/82/56/803908256.db2.gz DIFZYQDURYNYIJ-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO COc1ccc(F)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001138373526 803908260 /nfs/dbraw/zinc/90/82/60/803908260.db2.gz DIFZYQDURYNYIJ-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccn1-c1ccccc1F ZINC001138633632 803987815 /nfs/dbraw/zinc/98/78/15/803987815.db2.gz FAJUWXHYAFRLKM-UHFFFAOYSA-N 1 2 271.339 3.352 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccn1-c1ccccc1F ZINC001138633632 803987821 /nfs/dbraw/zinc/98/78/21/803987821.db2.gz FAJUWXHYAFRLKM-UHFFFAOYSA-N 1 2 271.339 3.352 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)CC1 ZINC001138906570 804068537 /nfs/dbraw/zinc/06/85/37/804068537.db2.gz ZTEXNISZDPLKDO-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)CC1 ZINC001138906570 804068546 /nfs/dbraw/zinc/06/85/46/804068546.db2.gz ZTEXNISZDPLKDO-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cnc2[nH]ccc2c1Cl ZINC001138935486 804076199 /nfs/dbraw/zinc/07/61/99/804076199.db2.gz FNDYNDTUIWEHIM-UHFFFAOYSA-N 1 2 261.756 3.342 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001139687380 804254378 /nfs/dbraw/zinc/25/43/78/804254378.db2.gz PHEAKUVHGGJDLR-WBMJQRKESA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001139687380 804254385 /nfs/dbraw/zinc/25/43/85/804254385.db2.gz PHEAKUVHGGJDLR-WBMJQRKESA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001140600797 804472593 /nfs/dbraw/zinc/47/25/93/804472593.db2.gz VUQVAKNYDCGKQI-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001140600797 804472594 /nfs/dbraw/zinc/47/25/94/804472594.db2.gz VUQVAKNYDCGKQI-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1c(F)cc(C[N@@H+]2CCc3ccccc3C2)cc1F ZINC001140751392 804504384 /nfs/dbraw/zinc/50/43/84/804504384.db2.gz UYIZZGWWSVDCGC-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1c(F)cc(C[N@H+]2CCc3ccccc3C2)cc1F ZINC001140751392 804504388 /nfs/dbraw/zinc/50/43/88/804504388.db2.gz UYIZZGWWSVDCGC-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002242 804565580 /nfs/dbraw/zinc/56/55/80/804565580.db2.gz PTKMDTDOJBNBFT-LBPRGKRZSA-N 1 2 269.373 3.156 20 30 CGEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141002242 804565584 /nfs/dbraw/zinc/56/55/84/804565584.db2.gz PTKMDTDOJBNBFT-LBPRGKRZSA-N 1 2 269.373 3.156 20 30 CGEDLO CCCCc1[nH]c(CN2CCc3ccc(C#N)cc3C2)c[nH+]1 ZINC001141067569 804582574 /nfs/dbraw/zinc/58/25/74/804582574.db2.gz HTOCBLKKUUAWCH-UHFFFAOYSA-N 1 2 294.402 3.182 20 30 CGEDLO CCCCc1[nH]cc(CN2CCc3ccc(C#N)cc3C2)[nH+]1 ZINC001141067569 804582577 /nfs/dbraw/zinc/58/25/77/804582577.db2.gz HTOCBLKKUUAWCH-UHFFFAOYSA-N 1 2 294.402 3.182 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922359 804785277 /nfs/dbraw/zinc/78/52/77/804785277.db2.gz FDXWVQBDNWBCAV-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922359 804785285 /nfs/dbraw/zinc/78/52/85/804785285.db2.gz FDXWVQBDNWBCAV-CYBMUJFWSA-N 1 2 290.370 3.418 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001143719320 804887188 /nfs/dbraw/zinc/88/71/88/804887188.db2.gz VVVQXSQFCNQYGB-MLGOLLRUSA-N 1 2 290.794 3.213 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001143719320 804887196 /nfs/dbraw/zinc/88/71/96/804887196.db2.gz VVVQXSQFCNQYGB-MLGOLLRUSA-N 1 2 290.794 3.213 20 30 CGEDLO Cc1nc2c(o1)CC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143734246 804888974 /nfs/dbraw/zinc/88/89/74/804888974.db2.gz GGEFIKGFWLZEMM-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO Cc1nc2c(o1)CC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143734246 804888979 /nfs/dbraw/zinc/88/89/79/804888979.db2.gz GGEFIKGFWLZEMM-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1F ZINC001143915013 804906126 /nfs/dbraw/zinc/90/61/26/804906126.db2.gz PYIRGTRYSGCYHN-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1F ZINC001143915013 804906130 /nfs/dbraw/zinc/90/61/30/804906130.db2.gz PYIRGTRYSGCYHN-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO C=C(Cc1ccccc1)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001144405642 804982660 /nfs/dbraw/zinc/98/26/60/804982660.db2.gz ZKPDCGNMARVKFH-UHFFFAOYSA-N 1 2 295.386 3.023 20 30 CGEDLO C[C@@]1(F)CC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@@H]1F ZINC001249427105 805147272 /nfs/dbraw/zinc/14/72/72/805147272.db2.gz QJPPWXLZNWHYNL-JKSUJKDBSA-N 1 2 289.329 3.312 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@@H]1F ZINC001249427105 805147281 /nfs/dbraw/zinc/14/72/81/805147281.db2.gz QJPPWXLZNWHYNL-JKSUJKDBSA-N 1 2 289.329 3.312 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429182 805147607 /nfs/dbraw/zinc/14/76/07/805147607.db2.gz QUERVJKLIZETQF-UHFFFAOYSA-N 1 2 266.348 3.165 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429182 805147611 /nfs/dbraw/zinc/14/76/11/805147611.db2.gz QUERVJKLIZETQF-UHFFFAOYSA-N 1 2 266.348 3.165 20 30 CGEDLO Cc1c[nH+]c(Nc2ccccc2OCC#N)c(C)c1 ZINC001212597508 815082105 /nfs/dbraw/zinc/08/21/05/815082105.db2.gz XMEWZQPBOPVJQE-UHFFFAOYSA-N 1 2 253.305 3.344 20 30 CGEDLO Cc1ccc(CNc2[nH+]ccc3ccc(C#N)cc32)cn1 ZINC001155314800 805570968 /nfs/dbraw/zinc/57/09/68/805570968.db2.gz LVMLDUOAOKGTEB-UHFFFAOYSA-N 1 2 274.327 3.422 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H]4CCCO[C@H]4C3)c2c1 ZINC001165330179 806994412 /nfs/dbraw/zinc/99/44/12/806994412.db2.gz DQAPMFDQDDMCOH-WBVHZDCISA-N 1 2 293.370 3.112 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H]4CCCO[C@@H]4C3)c2c1 ZINC001165330177 806994429 /nfs/dbraw/zinc/99/44/29/806994429.db2.gz DQAPMFDQDDMCOH-NVXWUHKLSA-N 1 2 293.370 3.112 20 30 CGEDLO C[C@@H]1CCCN(c2[nH+]ccc3[nH]cc(C#N)c32)[C@H]1C ZINC001166612618 807067828 /nfs/dbraw/zinc/06/78/28/807067828.db2.gz PHTLSUQQEYMQKI-MNOVXSKESA-N 1 2 254.337 3.059 20 30 CGEDLO Cc1cc(N2CCC[C@H](CC#N)C2)nc(C(C)(C)C)[nH+]1 ZINC001166741715 807089672 /nfs/dbraw/zinc/08/96/72/807089672.db2.gz SDSUUTNTXCUXEU-CYBMUJFWSA-N 1 2 272.396 3.213 20 30 CGEDLO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@H]1CCCSC1 ZINC001257657911 807205187 /nfs/dbraw/zinc/20/51/87/807205187.db2.gz QLYSSHLUTYHEPC-LURJTMIESA-N 1 2 299.255 3.305 20 30 CGEDLO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258050425 807276328 /nfs/dbraw/zinc/27/63/28/807276328.db2.gz UWPZXJWDVQDMDD-CHWSQXEVSA-N 1 2 263.372 3.437 20 30 CGEDLO CCCCCCC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258050425 807276329 /nfs/dbraw/zinc/27/63/29/807276329.db2.gz UWPZXJWDVQDMDD-CHWSQXEVSA-N 1 2 263.372 3.437 20 30 CGEDLO N#CCCCCNc1cc(-c2ccncc2)cc[nH+]1 ZINC001168427227 807411540 /nfs/dbraw/zinc/41/15/40/807411540.db2.gz HHDIGPKJPCHGCS-UHFFFAOYSA-N 1 2 252.321 3.249 20 30 CGEDLO Cc1cc(CC#N)ccc1NCCc1cn2ccccc2[nH+]1 ZINC001169004834 807549797 /nfs/dbraw/zinc/54/97/97/807549797.db2.gz SEKGZODMSVVSKA-UHFFFAOYSA-N 1 2 290.370 3.363 20 30 CGEDLO COc1ccc(Nc2ccccc2-n2cc[nH+]c2)c(C#N)c1 ZINC001212782645 815135722 /nfs/dbraw/zinc/13/57/22/815135722.db2.gz KAUZHCHVHGWJJK-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C#C[C@@](C)(CC)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001169701291 807693195 /nfs/dbraw/zinc/69/31/95/807693195.db2.gz GFTNVNRRDVRKPB-INIZCTEOSA-N 1 2 253.349 3.145 20 30 CGEDLO CC[C@@H]1C[C@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001170169809 807784922 /nfs/dbraw/zinc/78/49/22/807784922.db2.gz GEVIHQJJFKJTNO-ZIAGYGMSSA-N 1 2 250.386 3.150 20 30 CGEDLO COc1ccc2c(c1)C[C@@H](Nc1[nH+]cccc1CC#N)CC2 ZINC001170409305 807836924 /nfs/dbraw/zinc/83/69/24/807836924.db2.gz KVJWSXHLGFSMIT-INIZCTEOSA-N 1 2 293.370 3.126 20 30 CGEDLO COc1nscc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001171400119 808046812 /nfs/dbraw/zinc/04/68/12/808046812.db2.gz ROLNXSHHILBLHR-NSHDSACASA-N 1 2 287.388 3.216 20 30 CGEDLO COc1nscc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001171400119 808046819 /nfs/dbraw/zinc/04/68/19/808046819.db2.gz ROLNXSHHILBLHR-NSHDSACASA-N 1 2 287.388 3.216 20 30 CGEDLO CC(C)(Nc1cc(C2(C#N)CC2)cc[nH+]1)c1ccncc1 ZINC001171512880 808082366 /nfs/dbraw/zinc/08/23/66/808082366.db2.gz BVAAFQPSPIODCJ-UHFFFAOYSA-N 1 2 278.359 3.379 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266345598 808247196 /nfs/dbraw/zinc/24/71/96/808247196.db2.gz XBAQPVVMZOLVON-ZIAGYGMSSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266345598 808247199 /nfs/dbraw/zinc/24/71/99/808247199.db2.gz XBAQPVVMZOLVON-ZIAGYGMSSA-N 1 2 286.847 3.002 20 30 CGEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001172787309 808439340 /nfs/dbraw/zinc/43/93/40/808439340.db2.gz TXMCLICPQSTXGZ-YCPHGPKFSA-N 1 2 280.412 3.026 20 30 CGEDLO N#C[C@H]1CCCC[N@@H+]1C1CCC2(CCOCC2)CC1 ZINC001173048621 808499618 /nfs/dbraw/zinc/49/96/18/808499618.db2.gz SGXGNSXFWSSPTK-OAHLLOKOSA-N 1 2 262.397 3.104 20 30 CGEDLO N#C[C@H]1CCCC[N@H+]1C1CCC2(CCOCC2)CC1 ZINC001173048621 808499621 /nfs/dbraw/zinc/49/96/21/808499621.db2.gz SGXGNSXFWSSPTK-OAHLLOKOSA-N 1 2 262.397 3.104 20 30 CGEDLO C=CCOC1CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001173318479 808610461 /nfs/dbraw/zinc/61/04/61/808610461.db2.gz WPRDJJRAJXBNHY-SHARSMKWSA-N 1 2 250.386 3.028 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001268734850 808617725 /nfs/dbraw/zinc/61/77/25/808617725.db2.gz BFXJEZZFYTXEHW-OLZOCXBDSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001268734850 808617730 /nfs/dbraw/zinc/61/77/30/808617730.db2.gz BFXJEZZFYTXEHW-OLZOCXBDSA-N 1 2 288.863 3.248 20 30 CGEDLO Cc1[nH]c2ccc(-n3ccc4c3cc(C#N)cc4N)cc2[nH+]1 ZINC001213075099 815223019 /nfs/dbraw/zinc/22/30/19/815223019.db2.gz DAJXBEKVFDGCIQ-UHFFFAOYSA-N 1 2 287.326 3.269 20 30 CGEDLO COC(=O)CCCC[C@@H](C)[NH2+][C@@](C)(C#N)CC(C)C ZINC001173445420 808637217 /nfs/dbraw/zinc/63/72/17/808637217.db2.gz YYZVGKMGMHXOAS-UKRRQHHQSA-N 1 2 268.401 3.026 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001269849013 808708368 /nfs/dbraw/zinc/70/83/68/808708368.db2.gz DGQUPWOYLJFFQD-INIZCTEOSA-N 1 2 292.467 3.478 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC[C@H](C)CC ZINC001275963954 808981234 /nfs/dbraw/zinc/98/12/34/808981234.db2.gz WMLDRBFCGFULOS-DGCLKSJQSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC[C@H](C)CC ZINC001275963954 808981236 /nfs/dbraw/zinc/98/12/36/808981236.db2.gz WMLDRBFCGFULOS-DGCLKSJQSA-N 1 2 274.836 3.002 20 30 CGEDLO C#CCOc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174413965 809007566 /nfs/dbraw/zinc/00/75/66/809007566.db2.gz RSHPTMKABKGFLG-UHFFFAOYSA-N 1 2 263.300 3.270 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)/C=C/C(C)(C)C)CC1 ZINC001284892543 809319415 /nfs/dbraw/zinc/31/94/15/809319415.db2.gz YLGPUFSAZNGULD-VMPITWQZSA-N 1 2 296.842 3.090 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)/C=C/C(C)(C)C)CC1 ZINC001284892543 809319421 /nfs/dbraw/zinc/31/94/21/809319421.db2.gz YLGPUFSAZNGULD-VMPITWQZSA-N 1 2 296.842 3.090 20 30 CGEDLO N#Cc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1F ZINC001175353045 809373821 /nfs/dbraw/zinc/37/38/21/809373821.db2.gz XQVFZTKYEGXLQQ-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO C#Cc1cc(Nc2ccc(C3CC3)cc2F)cc[nH+]1 ZINC001213454802 815285193 /nfs/dbraw/zinc/28/51/93/815285193.db2.gz PXYMCIJJDZNJSY-UHFFFAOYSA-N 1 2 252.292 3.245 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001295582505 809490399 /nfs/dbraw/zinc/49/03/99/809490399.db2.gz MTGYYPMVPFDNSQ-ZDUSSCGKSA-N 1 2 299.374 3.053 20 30 CGEDLO CNc1ccc(C#N)cc1Nc1c[nH+]c(C)cc1C ZINC001213518346 815296065 /nfs/dbraw/zinc/29/60/65/815296065.db2.gz JEGQWCVVOAFDMQ-UHFFFAOYSA-N 1 2 252.321 3.355 20 30 CGEDLO Cc1c[nH+]cc(-n2cc(C#N)c3ccc(N)cc32)c1C ZINC001213534361 815302305 /nfs/dbraw/zinc/30/23/05/815302305.db2.gz YJGFIOALVWVDOA-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO COc1cc[nH+]cc1Nc1sc(C)c(C)c1C#N ZINC001176117259 809626587 /nfs/dbraw/zinc/62/65/87/809626587.db2.gz YEAZNHRUAJCRHF-UHFFFAOYSA-N 1 2 259.334 3.384 20 30 CGEDLO COc1cc[nH+]cc1Nc1c(Cl)cccc1C#N ZINC001176122764 809628897 /nfs/dbraw/zinc/62/88/97/809628897.db2.gz GYOPBQPQVNHWHS-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO C#Cc1cc(Nc2cccc(OCC3CC3)c2)cc[nH+]1 ZINC001176492508 809706981 /nfs/dbraw/zinc/70/69/81/809706981.db2.gz XCCFIOHDBABUMR-UHFFFAOYSA-N 1 2 264.328 3.017 20 30 CGEDLO N#Cc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1F ZINC001176751000 809758068 /nfs/dbraw/zinc/75/80/68/809758068.db2.gz QQMPASWKDSSRCA-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO Cc1ccc(Br)c(F)c1C[NH2+][C@H](C)CC#N ZINC001179479958 809923841 /nfs/dbraw/zinc/92/38/41/809923841.db2.gz YMQSMKBPUSLXRK-SECBINFHSA-N 1 2 285.160 3.288 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc2cccnc2o1)c1ccc(F)cc1 ZINC001182020910 810090092 /nfs/dbraw/zinc/09/00/92/810090092.db2.gz PMJIRAYSDHNMQA-INIZCTEOSA-N 1 2 280.302 3.431 20 30 CGEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284295 810101621 /nfs/dbraw/zinc/10/16/21/810101621.db2.gz GBHOBSNYYJKXDG-SWLSCSKDSA-N 1 2 297.320 3.143 20 30 CGEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284295 810101624 /nfs/dbraw/zinc/10/16/24/810101624.db2.gz GBHOBSNYYJKXDG-SWLSCSKDSA-N 1 2 297.320 3.143 20 30 CGEDLO CCCCCCC[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC001192930708 810831102 /nfs/dbraw/zinc/83/11/02/810831102.db2.gz BFDSTAUGIJJJCO-AWEZNQCLSA-N 1 2 292.427 3.157 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC[C@H](C)CC)CC1 ZINC001197519408 811426900 /nfs/dbraw/zinc/42/69/00/811426900.db2.gz LFKXKVXOPJHZPZ-CYBMUJFWSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[C@H](C)CC)CC1 ZINC001197519408 811426907 /nfs/dbraw/zinc/42/69/07/811426907.db2.gz LFKXKVXOPJHZPZ-CYBMUJFWSA-N 1 2 286.847 3.100 20 30 CGEDLO CCCCCCCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001197928864 811464771 /nfs/dbraw/zinc/46/47/71/811464771.db2.gz XNCCNSWVWPPCGX-UHFFFAOYSA-N 1 2 286.435 3.241 20 30 CGEDLO CCCCCCCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197928864 811464775 /nfs/dbraw/zinc/46/47/75/811464775.db2.gz XNCCNSWVWPPCGX-UHFFFAOYSA-N 1 2 286.435 3.241 20 30 CGEDLO COc1cc(Nc2ccc(C)[nH+]c2C)ccc1C#N ZINC001203374965 812330731 /nfs/dbraw/zinc/33/07/31/812330731.db2.gz QVJLKSVJCZHVMR-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1c(F)cc(Nc2ccn3cc[nH+]c3c2)cc1F ZINC001203674543 812426681 /nfs/dbraw/zinc/42/66/81/812426681.db2.gz IIIJPSPDOCYSCR-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC001204548605 812674620 /nfs/dbraw/zinc/67/46/20/812674620.db2.gz SPIJINCJIDJRHE-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3nccs3)C2)c1 ZINC001204548605 812674624 /nfs/dbraw/zinc/67/46/24/812674624.db2.gz SPIJINCJIDJRHE-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO CCCC#Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001204701073 812712447 /nfs/dbraw/zinc/71/24/47/812712447.db2.gz JZPTUDDZBBJYJY-UHFFFAOYSA-N 1 2 278.315 3.074 20 30 CGEDLO N#Cc1c(F)ccc(F)c1Nc1ccn2cc[nH+]c2c1 ZINC001204997350 812815832 /nfs/dbraw/zinc/81/58/32/812815832.db2.gz IOJRMFGDAQSBDX-UHFFFAOYSA-N 1 2 270.242 3.228 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCCc3ccccc3)CC[C@@H]2S1 ZINC001207613003 813613053 /nfs/dbraw/zinc/61/30/53/813613053.db2.gz GHNOBSZQGZGTOT-INIZCTEOSA-N 1 2 287.428 3.283 20 30 CGEDLO O=C1C=C2C[N@H+](CCCCc3ccccc3)CC[C@@H]2S1 ZINC001207613003 813613061 /nfs/dbraw/zinc/61/30/61/813613061.db2.gz GHNOBSZQGZGTOT-INIZCTEOSA-N 1 2 287.428 3.283 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001242745292 823120344 /nfs/dbraw/zinc/12/03/44/823120344.db2.gz MCXGNJOKHCYQTE-LLVKDONJSA-N 1 2 252.317 3.459 20 30 CGEDLO COc1cc(Nc2ccc(C)c(C#N)c2)cc(C)[nH+]1 ZINC001210781589 814628090 /nfs/dbraw/zinc/62/80/90/814628090.db2.gz WXHYCWAUMKWKSM-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO CCCCCCC[C@H](CCC)OC[C@@H]([NH3+])C(=O)OC ZINC001217898371 815996220 /nfs/dbraw/zinc/99/62/20/815996220.db2.gz WNEQIGSEMVLOIR-UONOGXRCSA-N 1 2 273.417 3.033 20 30 CGEDLO C#CC[NH+]1CCN(Cc2ccc(C)c(Cl)c2Cl)CC1 ZINC001231667528 818154806 /nfs/dbraw/zinc/15/48/06/818154806.db2.gz QSHWYQVFWATCFR-UHFFFAOYSA-N 1 2 297.229 3.053 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1Cl ZINC001232115797 818259608 /nfs/dbraw/zinc/25/96/08/818259608.db2.gz FPPLVTPEWBNYMX-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1Cl ZINC001232115797 818259614 /nfs/dbraw/zinc/25/96/14/818259614.db2.gz FPPLVTPEWBNYMX-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO C#CC[N@H+](Cc1cnsc1)[C@@H]1CCc2ccccc21 ZINC001232226138 818284523 /nfs/dbraw/zinc/28/45/23/818284523.db2.gz ADTLJGAQSHLNDY-MRXNPFEDSA-N 1 2 268.385 3.266 20 30 CGEDLO C#CC[N@@H+](Cc1cnsc1)[C@@H]1CCc2ccccc21 ZINC001232226138 818284527 /nfs/dbraw/zinc/28/45/27/818284527.db2.gz ADTLJGAQSHLNDY-MRXNPFEDSA-N 1 2 268.385 3.266 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(Br)co2)CC1 ZINC001232857031 818455796 /nfs/dbraw/zinc/45/57/96/818455796.db2.gz KLVCYDBAAYXMNM-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(Br)co2)CC1 ZINC001232857031 818455801 /nfs/dbraw/zinc/45/58/01/818455801.db2.gz KLVCYDBAAYXMNM-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1[nH]ccc1C#N ZINC001233046039 818508591 /nfs/dbraw/zinc/50/85/91/818508591.db2.gz KHHSZJJZOOTTGN-GFCCVEGCSA-N 1 2 251.333 3.006 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233046039 818508597 /nfs/dbraw/zinc/50/85/97/818508597.db2.gz KHHSZJJZOOTTGN-GFCCVEGCSA-N 1 2 251.333 3.006 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001233386812 818606700 /nfs/dbraw/zinc/60/67/00/818606700.db2.gz JUPMLZWCZBTYRX-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233405015 818612081 /nfs/dbraw/zinc/61/20/81/818612081.db2.gz GTDNOFUGFFMMBW-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233405015 818612084 /nfs/dbraw/zinc/61/20/84/818612084.db2.gz GTDNOFUGFFMMBW-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(O)cc(OCC)c1 ZINC001235397476 819084133 /nfs/dbraw/zinc/08/41/33/819084133.db2.gz DWSBAYJZJNXJDP-UHFFFAOYSA-N 1 2 276.380 3.307 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(O)cc(OCC)c1 ZINC001235397476 819084136 /nfs/dbraw/zinc/08/41/36/819084136.db2.gz DWSBAYJZJNXJDP-UHFFFAOYSA-N 1 2 276.380 3.307 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(F)c(C#N)c1 ZINC001235895831 819205846 /nfs/dbraw/zinc/20/58/46/819205846.db2.gz UNCCXTFKSPPOGI-UHFFFAOYSA-N 1 2 267.263 3.249 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)c(F)c(Cl)c1 ZINC001236659041 819564405 /nfs/dbraw/zinc/56/44/05/819564405.db2.gz NPFFMVTWEUYWRF-UHFFFAOYSA-N 1 2 270.134 3.201 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236905936 819636439 /nfs/dbraw/zinc/63/64/39/819636439.db2.gz RWJDUVAZKVBFMQ-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236905936 819636441 /nfs/dbraw/zinc/63/64/41/819636441.db2.gz RWJDUVAZKVBFMQ-UHFFFAOYSA-N 1 2 288.782 3.261 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c(O)cccc1OC(F)(F)F ZINC001237111218 819669887 /nfs/dbraw/zinc/66/98/87/819669887.db2.gz OSSUILIGFXSBQN-UHFFFAOYSA-N 1 2 288.269 3.026 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c(O)cccc1OC(F)(F)F ZINC001237111218 819669891 /nfs/dbraw/zinc/66/98/91/819669891.db2.gz OSSUILIGFXSBQN-UHFFFAOYSA-N 1 2 288.269 3.026 20 30 CGEDLO CCc1ncc(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001237821828 819853661 /nfs/dbraw/zinc/85/36/61/819853661.db2.gz QRNURLKPIJBBAA-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO CCc1ncc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001237821828 819853670 /nfs/dbraw/zinc/85/36/70/819853670.db2.gz QRNURLKPIJBBAA-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001238010974 819911409 /nfs/dbraw/zinc/91/14/09/819911409.db2.gz GETDRODFKFFDSS-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cncc(Cl)c2Cl)C1 ZINC001238010974 819911413 /nfs/dbraw/zinc/91/14/13/819911413.db2.gz GETDRODFKFFDSS-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238080757 819926330 /nfs/dbraw/zinc/92/63/30/819926330.db2.gz XMICTCWUCWZORB-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238080757 819926338 /nfs/dbraw/zinc/92/63/38/819926338.db2.gz XMICTCWUCWZORB-GWCFXTLKSA-N 1 2 266.747 3.392 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238709974 820094377 /nfs/dbraw/zinc/09/43/77/820094377.db2.gz FAVRKOJXVMGFDC-QGZVFWFLSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238709974 820094385 /nfs/dbraw/zinc/09/43/85/820094385.db2.gz FAVRKOJXVMGFDC-QGZVFWFLSA-N 1 2 287.382 3.161 20 30 CGEDLO Cc1cn2cc(-c3ccc(OCC#N)cc3)ccc2[nH+]1 ZINC001243592282 823459893 /nfs/dbraw/zinc/45/98/93/823459893.db2.gz MKKXGZVZPDCKDV-UHFFFAOYSA-N 1 2 263.300 3.212 20 30 CGEDLO N#Cc1ccnc(-c2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001243656693 823476598 /nfs/dbraw/zinc/47/65/98/823476598.db2.gz LTOVWEOCFDYVFZ-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#CC1(c2ccc(-c3ccc4[nH+]ccn4c3)nc2)CCC1 ZINC001240215587 820886102 /nfs/dbraw/zinc/88/61/02/820886102.db2.gz ZPZXMTRBKONTRG-UHFFFAOYSA-N 1 2 274.327 3.342 20 30 CGEDLO N#Cc1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1Cl ZINC001240404130 821024196 /nfs/dbraw/zinc/02/41/96/821024196.db2.gz IAYKCRRXMVMKEQ-UHFFFAOYSA-N 1 2 269.735 3.274 20 30 CGEDLO C=CCn1ccc2c1ncnc2-c1c[nH+]c(N(C)C)cc1C ZINC001241232967 821657462 /nfs/dbraw/zinc/65/74/62/821657462.db2.gz BSARPEDWQWFMKN-UHFFFAOYSA-N 1 2 293.374 3.054 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(C2(C#N)CC2)ccn1 ZINC001241241236 821662370 /nfs/dbraw/zinc/66/23/70/821662370.db2.gz ZUGPNOSJQXPHTE-UHFFFAOYSA-N 1 2 278.359 3.073 20 30 CGEDLO COc1cccc(-c2cc(C)cn3cc[nH+]c23)c1C#N ZINC001242299158 822943642 /nfs/dbraw/zinc/94/36/42/822943642.db2.gz ZYECYLKAVMJODF-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1ccc(N[NH+]=Cc2ccccc2N2CCCC2)nc1 ZINC001343144955 936489842 /nfs/dbraw/zinc/48/98/42/936489842.db2.gz ZBGLSQWLPZPNGT-UHFFFAOYSA-N 1 2 296.374 3.136 20 30 CGEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC#N ZINC000338135455 927135174 /nfs/dbraw/zinc/13/51/74/927135174.db2.gz VFSINJZMENTMEE-UHFFFAOYSA-N 1 2 288.782 3.146 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)c(Cl)c1 ZINC000336340574 928081051 /nfs/dbraw/zinc/08/10/51/928081051.db2.gz CJYNYKSVZQLZPA-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(Cl)c1 ZINC000336340574 928081067 /nfs/dbraw/zinc/08/10/67/928081067.db2.gz CJYNYKSVZQLZPA-GFCCVEGCSA-N 1 2 252.720 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494911508 928277009 /nfs/dbraw/zinc/27/70/09/928277009.db2.gz VGHJFRVTZRIJIQ-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494911508 928277019 /nfs/dbraw/zinc/27/70/19/928277019.db2.gz VGHJFRVTZRIJIQ-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2C/C=C\Cl)CCC1 ZINC001488654827 928289558 /nfs/dbraw/zinc/28/95/58/928289558.db2.gz OWGCCCGYKPIMHZ-XTXQVDMPSA-N 1 2 296.842 3.018 20 30 CGEDLO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2C/C=C\Cl)CCC1 ZINC001488654827 928289570 /nfs/dbraw/zinc/28/95/70/928289570.db2.gz OWGCCCGYKPIMHZ-XTXQVDMPSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC001560967460 937238482 /nfs/dbraw/zinc/23/84/82/937238482.db2.gz IFDKCKISRKHLGY-UNJBNNCHSA-N 1 2 287.831 3.475 20 30 CGEDLO C=C(CC)CNc1nc2ccccc2n2c[nH+]cc12 ZINC001458433416 937462567 /nfs/dbraw/zinc/46/25/67/937462567.db2.gz YNZLYVGXNZRGIA-UHFFFAOYSA-N 1 2 252.321 3.261 20 30 CGEDLO N#Cc1ccc(Cl)c(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001140603002 931958952 /nfs/dbraw/zinc/95/89/52/931958952.db2.gz WIGIINYCOREBTR-LBPRGKRZSA-N 1 2 296.798 3.241 20 30 CGEDLO C#C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)C(C)C ZINC001231083492 932674224 /nfs/dbraw/zinc/67/42/24/932674224.db2.gz KVZPMIQMBRFIPU-MRXNPFEDSA-N 1 2 254.333 3.124 20 30 CGEDLO Cc1c(Cl)cnc(NCc2c[nH]c(C(C)C)[nH+]2)c1C#N ZINC001307218997 932779878 /nfs/dbraw/zinc/77/98/78/932779878.db2.gz GBYAXSZTFCAVJV-UHFFFAOYSA-N 1 2 289.770 3.374 20 30 CGEDLO Cc1c(Cl)cnc(NCc2c[nH+]c(C(C)C)[nH]2)c1C#N ZINC001307218997 932779882 /nfs/dbraw/zinc/77/98/82/932779882.db2.gz GBYAXSZTFCAVJV-UHFFFAOYSA-N 1 2 289.770 3.374 20 30 CGEDLO C#CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910586 933019271 /nfs/dbraw/zinc/01/92/71/933019271.db2.gz YJYGMXRZAFEDDN-CVEARBPZSA-N 1 2 293.451 3.480 20 30 CGEDLO C#CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)CC(=O)OC(C)(C)C ZINC001307910586 933019273 /nfs/dbraw/zinc/01/92/73/933019273.db2.gz YJYGMXRZAFEDDN-CVEARBPZSA-N 1 2 293.451 3.480 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2cc(C)cc(C)c2)CC1 ZINC001308133855 933054882 /nfs/dbraw/zinc/05/48/82/933054882.db2.gz BUSLIPGBQKJSBO-KRWDZBQOSA-N 1 2 287.403 3.210 20 30 CGEDLO C=CCC[C@@H]([NH2+]CC1(OC)CCCCCC1)C(=O)OCC ZINC001308769008 933174035 /nfs/dbraw/zinc/17/40/35/933174035.db2.gz BXEFNVLLARLAFO-OAHLLOKOSA-N 1 2 297.439 3.213 20 30 CGEDLO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001308815288 933183352 /nfs/dbraw/zinc/18/33/52/933183352.db2.gz SHUWJOISFHNZEB-HOCLYGCPSA-N 1 2 289.419 3.494 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)C ZINC001317168547 933545146 /nfs/dbraw/zinc/54/51/46/933545146.db2.gz VKXXTWMEPAYKPY-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)C ZINC001317168547 933545154 /nfs/dbraw/zinc/54/51/54/933545154.db2.gz VKXXTWMEPAYKPY-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C[C@@H]1CCc2nc(CNc3cc(CC#N)cc[nH+]3)sc2C1 ZINC001320273936 934023981 /nfs/dbraw/zinc/02/39/81/934023981.db2.gz CCBLDVDKPDMNON-LLVKDONJSA-N 1 2 298.415 3.341 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](CC)Cc1cccs1)C(=O)OCC ZINC001320905050 934121205 /nfs/dbraw/zinc/12/12/05/934121205.db2.gz GOTFPCXYNUDNGG-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001321148575 934156474 /nfs/dbraw/zinc/15/64/74/934156474.db2.gz LIZMBWDJWIQURF-HOCLYGCPSA-N 1 2 275.392 3.023 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001321148569 934156617 /nfs/dbraw/zinc/15/66/17/934156617.db2.gz LIZMBWDJWIQURF-GOEBONIOSA-N 1 2 275.392 3.023 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccnc(Cl)c1 ZINC001322820808 934338457 /nfs/dbraw/zinc/33/84/57/934338457.db2.gz YYAAHMLYPDAHIF-WAYWQWQTSA-N 1 2 287.750 3.092 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(Cl)nc1 ZINC001324707404 934552703 /nfs/dbraw/zinc/55/27/03/934552703.db2.gz OUCPXGJMFYTEGO-ALCCZGGFSA-N 1 2 287.750 3.092 20 30 CGEDLO C#Cc1cccc(CNc2cc(CC)[nH+]c(CC)n2)c1 ZINC001472805358 937784544 /nfs/dbraw/zinc/78/45/44/937784544.db2.gz HPDNOLDFJCUEOC-UHFFFAOYSA-N 1 2 265.360 3.195 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2nc(Cl)ccc2C1=O ZINC001331945818 935425415 /nfs/dbraw/zinc/42/54/15/935425415.db2.gz DABXAOAEERQBQJ-YHYXMXQVSA-N 1 2 287.750 3.335 20 30 CGEDLO Cc1cc(F)ncc1C[N@H+](CCC#N)CC(C)(C)C ZINC001333681187 935561102 /nfs/dbraw/zinc/56/11/02/935561102.db2.gz IWJNMPHFPAPBFD-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO Cc1cc(F)ncc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001333681187 935561106 /nfs/dbraw/zinc/56/11/06/935561106.db2.gz IWJNMPHFPAPBFD-UHFFFAOYSA-N 1 2 263.360 3.291 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(=O)OC ZINC001474668401 937873927 /nfs/dbraw/zinc/87/39/27/937873927.db2.gz QZXXBKQWUIWFRM-JCYILVPMSA-N 1 2 287.403 3.338 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001494893462 937957137 /nfs/dbraw/zinc/95/71/37/937957137.db2.gz YFYHTEHGWRRSGO-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001494893462 937957138 /nfs/dbraw/zinc/95/71/38/937957138.db2.gz YFYHTEHGWRRSGO-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC(C)C ZINC001498429644 937969502 /nfs/dbraw/zinc/96/95/02/937969502.db2.gz QSXUCLJHHYLSJE-CYBMUJFWSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC(C)C ZINC001498429644 937969503 /nfs/dbraw/zinc/96/95/03/937969503.db2.gz QSXUCLJHHYLSJE-CYBMUJFWSA-N 1 2 288.863 3.248 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2sccc2CC#N)c(C)[nH+]1 ZINC001518698040 938016395 /nfs/dbraw/zinc/01/63/95/938016395.db2.gz DYPNXSCDZFDOMW-UHFFFAOYSA-N 1 2 285.372 3.387 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001527999861 938064709 /nfs/dbraw/zinc/06/47/09/938064709.db2.gz MDWUXCJVNPAPLC-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2F)c(C)[nH+]1 ZINC001535173882 938099293 /nfs/dbraw/zinc/09/92/93/938099293.db2.gz KBOXFRHICZVVPX-UHFFFAOYSA-N 1 2 283.306 3.270 20 30 CGEDLO Cn1c[nH+]cc1CSc1cccc(C#N)c1Cl ZINC001559469300 938226946 /nfs/dbraw/zinc/22/69/46/938226946.db2.gz BLMLHQMSNOZMDB-UHFFFAOYSA-N 1 2 263.753 3.237 20 30 CGEDLO CCc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CCO2 ZINC001560433697 938258345 /nfs/dbraw/zinc/25/83/45/938258345.db2.gz UZYIKYBIQDHRIG-CQSZACIVSA-N 1 2 299.399 3.191 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCC(C)C ZINC001570738439 962076482 /nfs/dbraw/zinc/07/64/82/962076482.db2.gz WZQSCUVJPPVGCI-CYBMUJFWSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCC(C)C ZINC001570738439 962076496 /nfs/dbraw/zinc/07/64/96/962076496.db2.gz WZQSCUVJPPVGCI-CYBMUJFWSA-N 1 2 274.836 3.002 20 30 CGEDLO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2C(F)F)c1 ZINC000337416743 214068539 /nfs/dbraw/zinc/06/85/39/214068539.db2.gz RSPRAHSGCOMOMP-HNNXBMFYSA-N 1 2 294.345 3.447 20 30 CGEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2C(F)F)c1 ZINC000337416743 214068542 /nfs/dbraw/zinc/06/85/42/214068542.db2.gz RSPRAHSGCOMOMP-HNNXBMFYSA-N 1 2 294.345 3.447 20 30 CGEDLO COCC[N@H+](CCC#N)C[C@H](OC(C)C)c1ccccc1 ZINC000589984870 346820371 /nfs/dbraw/zinc/82/03/71/346820371.db2.gz DKUXMBLZPKVTAV-KRWDZBQOSA-N 1 2 290.407 3.015 20 30 CGEDLO COCC[N@@H+](CCC#N)C[C@H](OC(C)C)c1ccccc1 ZINC000589984870 346820376 /nfs/dbraw/zinc/82/03/76/346820376.db2.gz DKUXMBLZPKVTAV-KRWDZBQOSA-N 1 2 290.407 3.015 20 30 CGEDLO CC(C)c1csc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000125616208 187193200 /nfs/dbraw/zinc/19/32/00/187193200.db2.gz YXTWLJDIBVLZSB-UHFFFAOYSA-N 1 2 261.350 3.021 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000592060186 346958268 /nfs/dbraw/zinc/95/82/68/346958268.db2.gz DBEWRDMWFSWCHI-OAHLLOKOSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000592060186 346958269 /nfs/dbraw/zinc/95/82/69/346958269.db2.gz DBEWRDMWFSWCHI-OAHLLOKOSA-N 1 2 269.373 3.352 20 30 CGEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592071229 346959968 /nfs/dbraw/zinc/95/99/68/346959968.db2.gz CTVFLKQUGFYZGX-KRWDZBQOSA-N 1 2 280.375 3.019 20 30 CGEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592071229 346959971 /nfs/dbraw/zinc/95/99/71/346959971.db2.gz CTVFLKQUGFYZGX-KRWDZBQOSA-N 1 2 280.375 3.019 20 30 CGEDLO CSc1ccccc1C[N@H+](C)Cc1ccncc1C#N ZINC000592116434 346964523 /nfs/dbraw/zinc/96/45/23/346964523.db2.gz LHSGUAPHKQAJCC-UHFFFAOYSA-N 1 2 283.400 3.307 20 30 CGEDLO CSc1ccccc1C[N@@H+](C)Cc1ccncc1C#N ZINC000592116434 346964526 /nfs/dbraw/zinc/96/45/26/346964526.db2.gz LHSGUAPHKQAJCC-UHFFFAOYSA-N 1 2 283.400 3.307 20 30 CGEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428233842 529978410 /nfs/dbraw/zinc/97/84/10/529978410.db2.gz UYJSZXQCVCYYQS-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428233842 529978411 /nfs/dbraw/zinc/97/84/11/529978411.db2.gz UYJSZXQCVCYYQS-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)on1 ZINC000047273725 345050176 /nfs/dbraw/zinc/05/01/76/345050176.db2.gz OBCNAFCISISQNA-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)on1 ZINC000047273725 345050177 /nfs/dbraw/zinc/05/01/77/345050177.db2.gz OBCNAFCISISQNA-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO C=CCN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000045006286 345018838 /nfs/dbraw/zinc/01/88/38/345018838.db2.gz RZINXUHNIBUYIK-ZDUSSCGKSA-N 1 2 264.800 3.205 20 30 CGEDLO C=CCN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000045006288 345018920 /nfs/dbraw/zinc/01/89/20/345018920.db2.gz RZINXUHNIBUYIK-CYBMUJFWSA-N 1 2 264.800 3.205 20 30 CGEDLO C=C(C)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000052040187 345096650 /nfs/dbraw/zinc/09/66/50/345096650.db2.gz YTYZTJNYVPEWJF-UHFFFAOYSA-N 1 2 286.206 3.087 20 30 CGEDLO N#Cc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482529 345261573 /nfs/dbraw/zinc/26/15/73/345261573.db2.gz ZKPONCFAASPVTJ-SFHVURJKSA-N 1 2 296.370 3.332 20 30 CGEDLO N#Cc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000064482529 345261576 /nfs/dbraw/zinc/26/15/76/345261576.db2.gz ZKPONCFAASPVTJ-SFHVURJKSA-N 1 2 296.370 3.332 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(-c2ccccc2)no1 ZINC000081040085 345696901 /nfs/dbraw/zinc/69/69/01/345696901.db2.gz DWSVIHXZYWCVHV-UHFFFAOYSA-N 1 2 255.321 3.077 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(-c2ccccc2)no1 ZINC000081040085 345696903 /nfs/dbraw/zinc/69/69/03/345696903.db2.gz DWSVIHXZYWCVHV-UHFFFAOYSA-N 1 2 255.321 3.077 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1cc(C#N)ccc1F ZINC000102408267 345916085 /nfs/dbraw/zinc/91/60/85/345916085.db2.gz AFDKRXHPLHCKAR-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1cc(C#N)ccc1F ZINC000102408267 345916087 /nfs/dbraw/zinc/91/60/87/345916087.db2.gz AFDKRXHPLHCKAR-UHFFFAOYSA-N 1 2 258.296 3.312 20 30 CGEDLO CC[N@H+](Cc1ccoc1)Cc1cn2ccccc2c1C#N ZINC000102408138 345916133 /nfs/dbraw/zinc/91/61/33/345916133.db2.gz JXMSJDVTJDSZML-UHFFFAOYSA-N 1 2 279.343 3.426 20 30 CGEDLO CC[N@@H+](Cc1ccoc1)Cc1cn2ccccc2c1C#N ZINC000102408138 345916135 /nfs/dbraw/zinc/91/61/35/345916135.db2.gz JXMSJDVTJDSZML-UHFFFAOYSA-N 1 2 279.343 3.426 20 30 CGEDLO C[N@H+](Cc1noc2c1CCCC2)Cc1cccc(C#N)c1 ZINC000108852629 345939615 /nfs/dbraw/zinc/93/96/15/345939615.db2.gz ITRBZIOSXHZWLF-UHFFFAOYSA-N 1 2 281.359 3.057 20 30 CGEDLO C[N@@H+](Cc1noc2c1CCCC2)Cc1cccc(C#N)c1 ZINC000108852629 345939616 /nfs/dbraw/zinc/93/96/16/345939616.db2.gz ITRBZIOSXHZWLF-UHFFFAOYSA-N 1 2 281.359 3.057 20 30 CGEDLO Cc1ccc(C[NH2+][C@H](C)CC#N)c(Br)c1 ZINC000134975131 346085761 /nfs/dbraw/zinc/08/57/61/346085761.db2.gz YSHVBXJLCMRQBU-SNVBAGLBSA-N 1 2 267.170 3.149 20 30 CGEDLO C[C@@H]1C[C@@H](C[NH+]=Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000271347449 346411538 /nfs/dbraw/zinc/41/15/38/346411538.db2.gz KQTQGSQZEVGCQV-LDQMOMIISA-N 1 2 284.359 3.174 20 30 CGEDLO CCn1c2ccccc2nc1C[NH2+]CC1(C#N)CCCC1 ZINC000593649954 347099013 /nfs/dbraw/zinc/09/90/13/347099013.db2.gz NPZQQEDKMAVBBX-UHFFFAOYSA-N 1 2 282.391 3.230 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(=O)OCC)cs1)C(C)(C)C ZINC000382481455 346560342 /nfs/dbraw/zinc/56/03/42/346560342.db2.gz PCSVYPNRKXDQBI-UHFFFAOYSA-N 1 2 282.409 3.106 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(=O)OCC)cs1)C(C)(C)C ZINC000382481455 346560344 /nfs/dbraw/zinc/56/03/44/346560344.db2.gz PCSVYPNRKXDQBI-UHFFFAOYSA-N 1 2 282.409 3.106 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@H](CC)CO1 ZINC000403840210 346598402 /nfs/dbraw/zinc/59/84/02/346598402.db2.gz CSILJSZEBIWPKP-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@H](CC)CO1 ZINC000403840210 346598403 /nfs/dbraw/zinc/59/84/03/346598403.db2.gz CSILJSZEBIWPKP-HUUCEWRRSA-N 1 2 276.355 3.087 20 30 CGEDLO COc1cc(C[NH2+]C2(C(F)F)CCCC2)ccc1C#N ZINC000588934440 346776622 /nfs/dbraw/zinc/77/66/22/346776622.db2.gz YJLBOUJEQNZHGA-UHFFFAOYSA-N 1 2 280.318 3.234 20 30 CGEDLO Cc1cn2c([nH+]1)CN(c1cccc(C(F)F)c1C#N)CC2 ZINC000594574993 347195019 /nfs/dbraw/zinc/19/50/19/347195019.db2.gz MVWIEMFPYBZMFR-UHFFFAOYSA-N 1 2 288.301 3.021 20 30 CGEDLO CCc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)o1 ZINC000594610310 347202984 /nfs/dbraw/zinc/20/29/84/347202984.db2.gz BBYWUFPZAOQUAX-UHFFFAOYSA-N 1 2 252.317 3.229 20 30 CGEDLO CCc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)o1 ZINC000594610310 347202988 /nfs/dbraw/zinc/20/29/88/347202988.db2.gz BBYWUFPZAOQUAX-UHFFFAOYSA-N 1 2 252.317 3.229 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000595318564 347291389 /nfs/dbraw/zinc/29/13/89/347291389.db2.gz VMLUDPQYTHBZSZ-GJZGRUSLSA-N 1 2 252.317 3.334 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000595318564 347291393 /nfs/dbraw/zinc/29/13/93/347291393.db2.gz VMLUDPQYTHBZSZ-GJZGRUSLSA-N 1 2 252.317 3.334 20 30 CGEDLO N#Cc1ccc(CC[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000595403720 347299398 /nfs/dbraw/zinc/29/93/98/347299398.db2.gz JLSFZLARCMPKGT-UHFFFAOYSA-N 1 2 278.346 3.468 20 30 CGEDLO N#Cc1ccc(CC[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000595403720 347299401 /nfs/dbraw/zinc/29/94/01/347299401.db2.gz JLSFZLARCMPKGT-UHFFFAOYSA-N 1 2 278.346 3.468 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000595416783 347300256 /nfs/dbraw/zinc/30/02/56/347300256.db2.gz ZCLFIHJHFXXZAD-JTQLQIEISA-N 1 2 255.321 3.014 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609929 347326245 /nfs/dbraw/zinc/32/62/45/347326245.db2.gz QJUBZMVGOBPVNA-OAHLLOKOSA-N 1 2 299.418 3.374 20 30 CGEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609929 347326247 /nfs/dbraw/zinc/32/62/47/347326247.db2.gz QJUBZMVGOBPVNA-OAHLLOKOSA-N 1 2 299.418 3.374 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595612187 347327282 /nfs/dbraw/zinc/32/72/82/347327282.db2.gz SUUQSWSPNZQVBZ-OLZOCXBDSA-N 1 2 276.384 3.099 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595612187 347327285 /nfs/dbraw/zinc/32/72/85/347327285.db2.gz SUUQSWSPNZQVBZ-OLZOCXBDSA-N 1 2 276.384 3.099 20 30 CGEDLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595611969 347327836 /nfs/dbraw/zinc/32/78/36/347327836.db2.gz QTNXXRJPUSHKHW-GFCCVEGCSA-N 1 2 261.369 3.098 20 30 CGEDLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595611969 347327838 /nfs/dbraw/zinc/32/78/38/347327838.db2.gz QTNXXRJPUSHKHW-GFCCVEGCSA-N 1 2 261.369 3.098 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccccc1C#N ZINC000595816250 347359605 /nfs/dbraw/zinc/35/96/05/347359605.db2.gz VEQDPPDZXQTMRW-AWEZNQCLSA-N 1 2 270.376 3.092 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccccc1C#N ZINC000595816250 347359611 /nfs/dbraw/zinc/35/96/11/347359611.db2.gz VEQDPPDZXQTMRW-AWEZNQCLSA-N 1 2 270.376 3.092 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000595758801 347351162 /nfs/dbraw/zinc/35/11/62/347351162.db2.gz GWZSWKRAVCFOSZ-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccccc1C#N)C2 ZINC000595758801 347351166 /nfs/dbraw/zinc/35/11/66/347351166.db2.gz GWZSWKRAVCFOSZ-UHFFFAOYSA-N 1 2 278.355 3.125 20 30 CGEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OC(F)F ZINC000595836378 347364220 /nfs/dbraw/zinc/36/42/20/347364220.db2.gz YTIFSWKXCYBWSE-OAHLLOKOSA-N 1 2 296.317 3.032 20 30 CGEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OC(F)F ZINC000595836378 347364223 /nfs/dbraw/zinc/36/42/23/347364223.db2.gz YTIFSWKXCYBWSE-OAHLLOKOSA-N 1 2 296.317 3.032 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000595843092 347366119 /nfs/dbraw/zinc/36/61/19/347366119.db2.gz YJVHYIMRXGNCOP-OAHLLOKOSA-N 1 2 271.389 3.074 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000595843092 347366121 /nfs/dbraw/zinc/36/61/21/347366121.db2.gz YJVHYIMRXGNCOP-OAHLLOKOSA-N 1 2 271.389 3.074 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000595901473 347370703 /nfs/dbraw/zinc/37/07/03/347370703.db2.gz WNYOZEIMQLDBBU-QWQRMKEZSA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000595901473 347370705 /nfs/dbraw/zinc/37/07/05/347370705.db2.gz WNYOZEIMQLDBBU-QWQRMKEZSA-N 1 2 299.418 3.006 20 30 CGEDLO Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])c(C#N)c2)c[nH+]1 ZINC000596119637 347385351 /nfs/dbraw/zinc/38/53/51/347385351.db2.gz MQKWIAVUKPOJLY-UHFFFAOYSA-N 1 2 296.330 3.133 20 30 CGEDLO CC1(C#N)CCN(c2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000596190396 347396601 /nfs/dbraw/zinc/39/66/01/347396601.db2.gz YNYDVSLKUDIUNN-UHFFFAOYSA-N 1 2 293.374 3.350 20 30 CGEDLO Cc1cc(NCC(C)(C)CC(F)(F)F)c(C#N)c[nH+]1 ZINC000596583303 347482632 /nfs/dbraw/zinc/48/26/32/347482632.db2.gz KKWICGDMAPIIOP-UHFFFAOYSA-N 1 2 271.286 3.074 20 30 CGEDLO Cn1cc[nH+]c1[C@H]1N(Cc2cccc(F)c2C#N)CC1(C)C ZINC000596584861 347482728 /nfs/dbraw/zinc/48/27/28/347482728.db2.gz ABXLUZCDVOCIFI-OAHLLOKOSA-N 1 2 298.365 3.014 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000596597392 347486052 /nfs/dbraw/zinc/48/60/52/347486052.db2.gz QQPOJOFAPANZJL-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000596597392 347486054 /nfs/dbraw/zinc/48/60/54/347486054.db2.gz QQPOJOFAPANZJL-UHFFFAOYSA-N 1 2 298.365 3.005 20 30 CGEDLO Cc1ccc2cc(C[N@@H+](C)CC(C)(C)C#N)[nH]c2c1 ZINC000597135832 347539142 /nfs/dbraw/zinc/53/91/42/347539142.db2.gz NLLPMOXPOODAPR-UHFFFAOYSA-N 1 2 255.365 3.458 20 30 CGEDLO Cc1ccc2cc(C[N@H+](C)CC(C)(C)C#N)[nH]c2c1 ZINC000597135832 347539145 /nfs/dbraw/zinc/53/91/45/347539145.db2.gz NLLPMOXPOODAPR-UHFFFAOYSA-N 1 2 255.365 3.458 20 30 CGEDLO N#CCC1C[NH+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000597203721 347554143 /nfs/dbraw/zinc/55/41/43/347554143.db2.gz MYKWSZBSMBSSNR-UHFFFAOYSA-N 1 2 289.810 3.286 20 30 CGEDLO CC(C)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000597229316 347557370 /nfs/dbraw/zinc/55/73/70/347557370.db2.gz KZPLWGJYMWWXAZ-MRXNPFEDSA-N 1 2 287.363 3.454 20 30 CGEDLO CC(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1[N+](=O)[O-] ZINC000597229316 347557373 /nfs/dbraw/zinc/55/73/73/347557373.db2.gz KZPLWGJYMWWXAZ-MRXNPFEDSA-N 1 2 287.363 3.454 20 30 CGEDLO CC(C)n1ccnc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677667 347763933 /nfs/dbraw/zinc/76/39/33/347763933.db2.gz BRQRLMVDKNICHA-UHFFFAOYSA-N 1 2 294.402 3.088 20 30 CGEDLO CC(C)n1ccnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677667 347763936 /nfs/dbraw/zinc/76/39/36/347763936.db2.gz BRQRLMVDKNICHA-UHFFFAOYSA-N 1 2 294.402 3.088 20 30 CGEDLO Cc1nnc([C@H](C)[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599678367 347764895 /nfs/dbraw/zinc/76/48/95/347764895.db2.gz UTZIYRQVNRCYFJ-NSHDSACASA-N 1 2 298.415 3.032 20 30 CGEDLO Cc1nnc([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599678367 347764898 /nfs/dbraw/zinc/76/48/98/347764898.db2.gz UTZIYRQVNRCYFJ-NSHDSACASA-N 1 2 298.415 3.032 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1C#N ZINC000599302819 347733313 /nfs/dbraw/zinc/73/33/13/347733313.db2.gz KPEOYFHUHXAJCW-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1C#N ZINC000599302819 347733316 /nfs/dbraw/zinc/73/33/16/347733316.db2.gz KPEOYFHUHXAJCW-LJQANCHMSA-N 1 2 292.382 3.440 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(CO)ccc1F ZINC000599308896 347734360 /nfs/dbraw/zinc/73/43/60/347734360.db2.gz ZARSROJJGXCSCI-UHFFFAOYSA-N 1 2 292.398 3.470 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(CO)ccc1F ZINC000599308896 347734363 /nfs/dbraw/zinc/73/43/63/347734363.db2.gz ZARSROJJGXCSCI-UHFFFAOYSA-N 1 2 292.398 3.470 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H](C)C1(F)F ZINC000599514231 347749367 /nfs/dbraw/zinc/74/93/67/347749367.db2.gz VUVOORIXVZZQBG-PHIMTYICSA-N 1 2 282.309 3.420 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H](C)C1(F)F ZINC000599514231 347749370 /nfs/dbraw/zinc/74/93/70/347749370.db2.gz VUVOORIXVZZQBG-PHIMTYICSA-N 1 2 282.309 3.420 20 30 CGEDLO N#Cc1cc(-c2ccc(N3CCSCC3)[nH+]c2)ccc1F ZINC000600783447 347835055 /nfs/dbraw/zinc/83/50/55/347835055.db2.gz ZQUJDABMCZBKKH-UHFFFAOYSA-N 1 2 299.374 3.313 20 30 CGEDLO Cc1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1C#N ZINC000600795022 347837428 /nfs/dbraw/zinc/83/74/28/347837428.db2.gz VRRUKJHGBJNLGS-UHFFFAOYSA-N 1 2 295.411 3.482 20 30 CGEDLO CCN(C)c1ccc(CNc2cc(F)cc(C#N)c2)c[nH+]1 ZINC000601064826 347862247 /nfs/dbraw/zinc/86/22/47/347862247.db2.gz RSFKQJUNLCOJSK-UHFFFAOYSA-N 1 2 284.338 3.161 20 30 CGEDLO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602449186 347960142 /nfs/dbraw/zinc/96/01/42/347960142.db2.gz ORNAXWZWMSJDCK-JSGCOSHPSA-N 1 2 288.395 3.414 20 30 CGEDLO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000602449186 347960144 /nfs/dbraw/zinc/96/01/44/347960144.db2.gz ORNAXWZWMSJDCK-JSGCOSHPSA-N 1 2 288.395 3.414 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc2ccccc2n1C)C1CC1 ZINC000602487990 347968816 /nfs/dbraw/zinc/96/88/16/347968816.db2.gz XVYAJJWXLGNKNB-ZDUSSCGKSA-N 1 2 267.376 3.302 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc2ccccc2n1C)C1CC1 ZINC000602487990 347968820 /nfs/dbraw/zinc/96/88/20/347968820.db2.gz XVYAJJWXLGNKNB-ZDUSSCGKSA-N 1 2 267.376 3.302 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000602612790 347993932 /nfs/dbraw/zinc/99/39/32/347993932.db2.gz RARYCQMRXVCKFC-JTQLQIEISA-N 1 2 272.179 3.357 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000602678459 348007333 /nfs/dbraw/zinc/00/73/33/348007333.db2.gz WXASQVSFOXFLOR-CQSZACIVSA-N 1 2 267.376 3.397 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000602678459 348007334 /nfs/dbraw/zinc/00/73/34/348007334.db2.gz WXASQVSFOXFLOR-CQSZACIVSA-N 1 2 267.376 3.397 20 30 CGEDLO N#Cc1c(F)cccc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000602715573 348016662 /nfs/dbraw/zinc/01/66/62/348016662.db2.gz QBTJNQPIZYTSOZ-UHFFFAOYSA-N 1 2 286.375 3.433 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)[C@H](C)CC#N ZINC000602788830 348029743 /nfs/dbraw/zinc/02/97/43/348029743.db2.gz RTTBXTCGHLTWDT-GFCCVEGCSA-N 1 2 269.348 3.384 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[N@H+](C)[C@H](C)CC#N ZINC000602788830 348029746 /nfs/dbraw/zinc/02/97/46/348029746.db2.gz RTTBXTCGHLTWDT-GFCCVEGCSA-N 1 2 269.348 3.384 20 30 CGEDLO COCc1cc(C#N)ccc1NCCc1cccc(C)[nH+]1 ZINC000603365214 348074831 /nfs/dbraw/zinc/07/48/31/348074831.db2.gz ZVSGEBBGIWSAJD-UHFFFAOYSA-N 1 2 281.359 3.063 20 30 CGEDLO CCN(C(=O)C[NH2+][C@H](C)CC#N)c1cccc2ccccc21 ZINC000602863329 348038090 /nfs/dbraw/zinc/03/80/90/348038090.db2.gz NGXXMQOMESNEHS-CQSZACIVSA-N 1 2 295.386 3.084 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[NH2+][C@H](C)CC#N ZINC000602871815 348038832 /nfs/dbraw/zinc/03/88/32/348038832.db2.gz XNAHMBOXOUKRLG-LLVKDONJSA-N 1 2 255.321 3.042 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(F)F ZINC000603429697 348082679 /nfs/dbraw/zinc/08/26/79/348082679.db2.gz PEQKQGLAVCXQJH-LLVKDONJSA-N 1 2 268.307 3.112 20 30 CGEDLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc(C#N)cc1 ZINC000608982570 348334831 /nfs/dbraw/zinc/33/48/31/348334831.db2.gz ROYPVJXLMSSEQN-LBPRGKRZSA-N 1 2 276.343 3.285 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cn2cccc(F)c2n1 ZINC000611268820 348432942 /nfs/dbraw/zinc/43/29/42/348432942.db2.gz PHNHEDTXAIRFRB-UHFFFAOYSA-N 1 2 288.370 3.235 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cn2cccc(F)c2n1 ZINC000611268820 348432946 /nfs/dbraw/zinc/43/29/46/348432946.db2.gz PHNHEDTXAIRFRB-UHFFFAOYSA-N 1 2 288.370 3.235 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC=C(C)CC2)c1C#N ZINC000611348991 348440181 /nfs/dbraw/zinc/44/01/81/348440181.db2.gz ZFZOETJFHUPSPX-UHFFFAOYSA-N 1 2 292.386 3.204 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC=C(C)CC2)c1C#N ZINC000611348991 348440183 /nfs/dbraw/zinc/44/01/83/348440183.db2.gz ZFZOETJFHUPSPX-UHFFFAOYSA-N 1 2 292.386 3.204 20 30 CGEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000611518866 348458286 /nfs/dbraw/zinc/45/82/86/348458286.db2.gz BDUUDNBZJAIIPM-GHMZBOCLSA-N 1 2 254.337 3.002 20 30 CGEDLO C=C[C@@H](O)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000611830429 348477482 /nfs/dbraw/zinc/47/74/82/348477482.db2.gz DKRCLRCARYOUHO-OAHLLOKOSA-N 1 2 299.374 3.096 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000612159512 348497896 /nfs/dbraw/zinc/49/78/96/348497896.db2.gz VRXSADXKPNCLTG-SFHVURJKSA-N 1 2 294.402 3.057 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000612159512 348497898 /nfs/dbraw/zinc/49/78/98/348497898.db2.gz VRXSADXKPNCLTG-SFHVURJKSA-N 1 2 294.402 3.057 20 30 CGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163056 348498401 /nfs/dbraw/zinc/49/84/01/348498401.db2.gz NRVLIANOCDYODM-IUODEOHRSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612163056 348498403 /nfs/dbraw/zinc/49/84/03/348498403.db2.gz NRVLIANOCDYODM-IUODEOHRSA-N 1 2 273.336 3.281 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000612167032 348499241 /nfs/dbraw/zinc/49/92/41/348499241.db2.gz ZQTHAJIPYKKSPB-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC000612167032 348499244 /nfs/dbraw/zinc/49/92/44/348499244.db2.gz ZQTHAJIPYKKSPB-OAHLLOKOSA-N 1 2 264.319 3.133 20 30 CGEDLO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612165636 348499526 /nfs/dbraw/zinc/49/95/26/348499526.db2.gz ONELIIUBBPPASN-LRDDRELGSA-N 1 2 290.363 3.061 20 30 CGEDLO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612165636 348499529 /nfs/dbraw/zinc/49/95/29/348499529.db2.gz ONELIIUBBPPASN-LRDDRELGSA-N 1 2 290.363 3.061 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000612405938 348516862 /nfs/dbraw/zinc/51/68/62/348516862.db2.gz FGYMCLKPQOKOLE-QGZVFWFLSA-N 1 2 298.365 3.341 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000612405938 348516864 /nfs/dbraw/zinc/51/68/64/348516864.db2.gz FGYMCLKPQOKOLE-QGZVFWFLSA-N 1 2 298.365 3.341 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000612525858 348525661 /nfs/dbraw/zinc/52/56/61/348525661.db2.gz JZMSOOWVZIPQAC-CMPLNLGQSA-N 1 2 294.420 3.081 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000614397714 348673122 /nfs/dbraw/zinc/67/31/22/348673122.db2.gz UKRYVCKCNRWRPP-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000614397714 348673123 /nfs/dbraw/zinc/67/31/23/348673123.db2.gz UKRYVCKCNRWRPP-INIZCTEOSA-N 1 2 296.374 3.285 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc[nH+]c2ccncc12 ZINC000618694052 349145544 /nfs/dbraw/zinc/14/55/44/349145544.db2.gz WYHCHMDGBRFWEM-KRWDZBQOSA-N 1 2 286.338 3.023 20 30 CGEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000619716145 349278165 /nfs/dbraw/zinc/27/81/65/349278165.db2.gz VCXWDXSFKDFCEW-KRWDZBQOSA-N 1 2 298.386 3.075 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000619723354 349278608 /nfs/dbraw/zinc/27/86/08/349278608.db2.gz YSVGPDJWWPPGGH-CQSZACIVSA-N 1 2 264.319 3.486 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C(F)F ZINC000619723354 349278611 /nfs/dbraw/zinc/27/86/11/349278611.db2.gz YSVGPDJWWPPGGH-CQSZACIVSA-N 1 2 264.319 3.486 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000620857187 349429578 /nfs/dbraw/zinc/42/95/78/349429578.db2.gz QVJFUXGNJSLKOA-UHFFFAOYSA-N 1 2 297.402 3.406 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000626432230 350305612 /nfs/dbraw/zinc/30/56/12/350305612.db2.gz FXFRUULSSDSYNL-ZDUSSCGKSA-N 1 2 259.353 3.128 20 30 CGEDLO C=C(C)C[N@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC000628255816 350468663 /nfs/dbraw/zinc/46/86/63/350468663.db2.gz YVJSBQGWPFPOQD-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC000628255816 350468666 /nfs/dbraw/zinc/46/86/66/350468666.db2.gz YVJSBQGWPFPOQD-UHFFFAOYSA-N 1 2 255.365 3.296 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000336518285 213397045 /nfs/dbraw/zinc/39/70/45/213397045.db2.gz GVFBSQTWYCHGLM-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000336518285 213397049 /nfs/dbraw/zinc/39/70/49/213397049.db2.gz GVFBSQTWYCHGLM-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO FC(F)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000634754164 351584740 /nfs/dbraw/zinc/58/47/40/351584740.db2.gz WCMMVOJKQTWHBO-AWEZNQCLSA-N 1 2 299.748 3.048 20 30 CGEDLO FC(F)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000634754164 351584743 /nfs/dbraw/zinc/58/47/43/351584743.db2.gz WCMMVOJKQTWHBO-AWEZNQCLSA-N 1 2 299.748 3.048 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000636172218 351728071 /nfs/dbraw/zinc/72/80/71/351728071.db2.gz WBMHUIMSYLOTTF-JKSUJKDBSA-N 1 2 289.423 3.285 20 30 CGEDLO C=CC[N@H+](Cc1nccn1Cc1ccccc1)C1CC1 ZINC000271537142 191200088 /nfs/dbraw/zinc/20/00/88/191200088.db2.gz YHZMDQRNCWFEKQ-UHFFFAOYSA-N 1 2 267.376 3.082 20 30 CGEDLO C=CC[N@@H+](Cc1nccn1Cc1ccccc1)C1CC1 ZINC000271537142 191200090 /nfs/dbraw/zinc/20/00/90/191200090.db2.gz YHZMDQRNCWFEKQ-UHFFFAOYSA-N 1 2 267.376 3.082 20 30 CGEDLO Cc1cc(NCCCO[C@@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000425204837 236220559 /nfs/dbraw/zinc/22/05/59/236220559.db2.gz VGRLNVMWFJSCLC-HNNXBMFYSA-N 1 2 295.386 3.263 20 30 CGEDLO CC[C@](C)([NH2+]Cc1nc(C#N)cs1)c1nc(C)cs1 ZINC000352808710 219647099 /nfs/dbraw/zinc/64/70/99/219647099.db2.gz DAZHNTHEXKOSOC-ZDUSSCGKSA-N 1 2 292.433 3.195 20 30 CGEDLO N#Cc1cscc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000432655534 236720294 /nfs/dbraw/zinc/72/02/94/236720294.db2.gz GRBWRYPUUJOCBX-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc(C#N)nc1 ZINC000301594166 201085441 /nfs/dbraw/zinc/08/54/41/201085441.db2.gz RMAXQQGZTDZKNF-UHFFFAOYSA-N 1 2 291.358 3.114 20 30 CGEDLO Cc1ccc2[nH+]c(CSc3ccc(C#N)cn3)cn2c1 ZINC000342390838 216335397 /nfs/dbraw/zinc/33/53/97/216335397.db2.gz WBPSNWRFXWNXDO-UHFFFAOYSA-N 1 2 280.356 3.202 20 30 CGEDLO C=C(C)C[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120257004 370753764 /nfs/dbraw/zinc/75/37/64/370753764.db2.gz FPRZBVVTBFPYMY-CQSZACIVSA-N 1 2 268.364 3.185 20 30 CGEDLO C=C(C)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120257004 370753769 /nfs/dbraw/zinc/75/37/69/370753769.db2.gz FPRZBVVTBFPYMY-CQSZACIVSA-N 1 2 268.364 3.185 20 30 CGEDLO C[C@]1(F)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000451113348 240222208 /nfs/dbraw/zinc/22/22/08/240222208.db2.gz JMSYAKMMWYZJSR-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000451113348 240222213 /nfs/dbraw/zinc/22/22/13/240222213.db2.gz JMSYAKMMWYZJSR-AWEZNQCLSA-N 1 2 250.292 3.021 20 30 CGEDLO N#CCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126079637 370942845 /nfs/dbraw/zinc/94/28/45/370942845.db2.gz ANBIKLWLWFPDAT-NSHDSACASA-N 1 2 285.174 3.360 20 30 CGEDLO N#CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126079637 370942847 /nfs/dbraw/zinc/94/28/47/370942847.db2.gz ANBIKLWLWFPDAT-NSHDSACASA-N 1 2 285.174 3.360 20 30 CGEDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000048609595 369361905 /nfs/dbraw/zinc/36/19/05/369361905.db2.gz QZZYRCNQFOKNTD-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000048609595 369361909 /nfs/dbraw/zinc/36/19/09/369361909.db2.gz QZZYRCNQFOKNTD-UHFFFAOYSA-N 1 2 287.344 3.160 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000127637043 370954280 /nfs/dbraw/zinc/95/42/80/370954280.db2.gz HNECFOWBDSKBNE-UHFFFAOYSA-N 1 2 275.352 3.454 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000127637043 370954287 /nfs/dbraw/zinc/95/42/87/370954287.db2.gz HNECFOWBDSKBNE-UHFFFAOYSA-N 1 2 275.352 3.454 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000127606552 370954385 /nfs/dbraw/zinc/95/43/85/370954385.db2.gz KDKLBKAXALJPAN-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000127606552 370954390 /nfs/dbraw/zinc/95/43/90/370954390.db2.gz KDKLBKAXALJPAN-UHFFFAOYSA-N 1 2 290.317 3.090 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OC(F)(F)F ZINC000127664279 370956030 /nfs/dbraw/zinc/95/60/30/370956030.db2.gz ZDGPYMUZGAUNJC-UHFFFAOYSA-N 1 2 272.270 3.321 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OC(F)(F)F ZINC000127664279 370956034 /nfs/dbraw/zinc/95/60/34/370956034.db2.gz ZDGPYMUZGAUNJC-UHFFFAOYSA-N 1 2 272.270 3.321 20 30 CGEDLO C=CCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000128525277 370963783 /nfs/dbraw/zinc/96/37/83/370963783.db2.gz CVWWCKZNTGRGCO-UHFFFAOYSA-N 1 2 282.372 3.484 20 30 CGEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276444481 193334476 /nfs/dbraw/zinc/33/44/76/193334476.db2.gz LTPBAHLAWOHGEJ-MRXNPFEDSA-N 1 2 265.360 3.237 20 30 CGEDLO C#CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276444481 193334477 /nfs/dbraw/zinc/33/44/77/193334477.db2.gz LTPBAHLAWOHGEJ-MRXNPFEDSA-N 1 2 265.360 3.237 20 30 CGEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCCC#N)CC1 ZINC000075863180 369918751 /nfs/dbraw/zinc/91/87/51/369918751.db2.gz AMIBLTRGFJMBCG-AWEZNQCLSA-N 1 2 291.826 3.322 20 30 CGEDLO COCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103138706 370319850 /nfs/dbraw/zinc/31/98/50/370319850.db2.gz MTTQWKSMDQHRGJ-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO COCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103138706 370319857 /nfs/dbraw/zinc/31/98/57/370319857.db2.gz MTTQWKSMDQHRGJ-UHFFFAOYSA-N 1 2 298.361 3.346 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C#N)cc1F ZINC000109812868 370366540 /nfs/dbraw/zinc/36/65/40/370366540.db2.gz AJCYRVJBLPTMTQ-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1F ZINC000109812868 370366546 /nfs/dbraw/zinc/36/65/46/370366546.db2.gz AJCYRVJBLPTMTQ-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO C=CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000111309856 370396567 /nfs/dbraw/zinc/39/65/67/370396567.db2.gz UZWRZYHTMYOWIM-RISCZKNCSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000111309856 370396568 /nfs/dbraw/zinc/39/65/68/370396568.db2.gz UZWRZYHTMYOWIM-RISCZKNCSA-N 1 2 251.757 3.288 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1cccnc1 ZINC000132265842 371162297 /nfs/dbraw/zinc/16/22/97/371162297.db2.gz LBCAVMXXKUEZEP-UHFFFAOYSA-N 1 2 270.763 3.219 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1cccnc1 ZINC000132265842 371162302 /nfs/dbraw/zinc/16/23/02/371162302.db2.gz LBCAVMXXKUEZEP-UHFFFAOYSA-N 1 2 270.763 3.219 20 30 CGEDLO N#Cc1cccc(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000132882025 371208816 /nfs/dbraw/zinc/20/88/16/371208816.db2.gz PRCJOFCDMCIFRB-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO C#CC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C1CCCC1 ZINC000151820298 371638813 /nfs/dbraw/zinc/63/88/13/371638813.db2.gz CISVKNJVLRDBNB-GFCCVEGCSA-N 1 2 293.436 3.262 20 30 CGEDLO C#CC[N@H+](Cc1nc([C@@H](C)SCC)no1)C1CCCC1 ZINC000151820298 371638818 /nfs/dbraw/zinc/63/88/18/371638818.db2.gz CISVKNJVLRDBNB-GFCCVEGCSA-N 1 2 293.436 3.262 20 30 CGEDLO CCCc1csc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000426351282 372153384 /nfs/dbraw/zinc/15/33/84/372153384.db2.gz HYNNPIOKMKDLEQ-UHFFFAOYSA-N 1 2 263.410 3.221 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428467527 372214539 /nfs/dbraw/zinc/21/45/39/372214539.db2.gz YZIFUQSQZXGILF-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428467527 372214543 /nfs/dbraw/zinc/21/45/43/372214543.db2.gz YZIFUQSQZXGILF-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428480229 372221082 /nfs/dbraw/zinc/22/10/82/372221082.db2.gz BTHOLBDUDUVQML-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428480229 372221085 /nfs/dbraw/zinc/22/10/85/372221085.db2.gz BTHOLBDUDUVQML-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCc2occc2C1 ZINC000428973439 372294560 /nfs/dbraw/zinc/29/45/60/372294560.db2.gz YSTUFISZJFLPSS-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCCc2occc2C1 ZINC000428973439 372294562 /nfs/dbraw/zinc/29/45/62/372294562.db2.gz YSTUFISZJFLPSS-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO C=C(C)CC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292976819 372267257 /nfs/dbraw/zinc/26/72/57/372267257.db2.gz BABLVWFMCZLBRJ-UHFFFAOYSA-N 1 2 253.349 3.154 20 30 CGEDLO C=C(C)CC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292976819 372267262 /nfs/dbraw/zinc/26/72/62/372267262.db2.gz BABLVWFMCZLBRJ-UHFFFAOYSA-N 1 2 253.349 3.154 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000428855363 372270618 /nfs/dbraw/zinc/27/06/18/372270618.db2.gz HYTOUYKTEGMPJM-HNNXBMFYSA-N 1 2 262.397 3.270 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000428855363 372270628 /nfs/dbraw/zinc/27/06/28/372270628.db2.gz HYTOUYKTEGMPJM-HNNXBMFYSA-N 1 2 262.397 3.270 20 30 CGEDLO C#CCCCC(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293019134 372279379 /nfs/dbraw/zinc/27/93/79/372279379.db2.gz KJPRCEZGMZYQLH-UHFFFAOYSA-N 1 2 259.349 3.360 20 30 CGEDLO COc1c(C)c[nH+]c(CN(C)c2cccc(F)c2C#N)c1C ZINC000170640056 372645356 /nfs/dbraw/zinc/64/53/56/372645356.db2.gz HNOQOGOVPJPQBN-UHFFFAOYSA-N 1 2 299.349 3.354 20 30 CGEDLO C=CCCCCCN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000434076392 372652949 /nfs/dbraw/zinc/65/29/49/372652949.db2.gz HGJHHHNCSZNXFA-UHFFFAOYSA-N 1 2 274.412 3.259 20 30 CGEDLO C=CCCCCCN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000434076392 372652953 /nfs/dbraw/zinc/65/29/53/372652953.db2.gz HGJHHHNCSZNXFA-UHFFFAOYSA-N 1 2 274.412 3.259 20 30 CGEDLO Cc1oc(C#N)cc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000435693407 372795441 /nfs/dbraw/zinc/79/54/41/372795441.db2.gz TXABGDIZLREMIC-UHFFFAOYSA-N 1 2 292.298 3.102 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295934006 372964162 /nfs/dbraw/zinc/96/41/62/372964162.db2.gz KKPWPPKJHURLGM-HNNXBMFYSA-N 1 2 253.349 3.032 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295934006 372964171 /nfs/dbraw/zinc/96/41/71/372964171.db2.gz KKPWPPKJHURLGM-HNNXBMFYSA-N 1 2 253.349 3.032 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295934006 372964175 /nfs/dbraw/zinc/96/41/75/372964175.db2.gz KKPWPPKJHURLGM-HNNXBMFYSA-N 1 2 253.349 3.032 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295934006 372964180 /nfs/dbraw/zinc/96/41/80/372964180.db2.gz KKPWPPKJHURLGM-HNNXBMFYSA-N 1 2 253.349 3.032 20 30 CGEDLO C=CC(C)(C)C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000297024135 373254422 /nfs/dbraw/zinc/25/44/22/373254422.db2.gz ZMXLUSJURIBVCH-UHFFFAOYSA-N 1 2 263.337 3.124 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000297990465 373287489 /nfs/dbraw/zinc/28/74/89/373287489.db2.gz WXGCIKFPUABEMI-CYBMUJFWSA-N 1 2 276.355 3.135 20 30 CGEDLO CCCCOc1ncccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174307407 373288405 /nfs/dbraw/zinc/28/84/05/373288405.db2.gz ODXCZHRZMINOPK-UHFFFAOYSA-N 1 2 285.347 3.015 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1sccc1C)C(=O)OCC ZINC000449657650 373837877 /nfs/dbraw/zinc/83/78/77/373837877.db2.gz QDMWKFNCXGXXEI-LBPRGKRZSA-N 1 2 267.394 3.044 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(O)c1 ZINC000181566808 374141535 /nfs/dbraw/zinc/14/15/35/374141535.db2.gz IKJNEGPBMVFGSJ-NSHDSACASA-N 1 2 270.307 3.254 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000181693715 374156431 /nfs/dbraw/zinc/15/64/31/374156431.db2.gz RHTMCYCSVUSYSQ-KRWDZBQOSA-N 1 2 284.334 3.175 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000183831523 374464090 /nfs/dbraw/zinc/46/40/90/374464090.db2.gz JQIMXBUUSIAHSF-LLVKDONJSA-N 1 2 285.303 3.104 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000183828935 374460696 /nfs/dbraw/zinc/46/06/96/374460696.db2.gz MEMMZJUBOTYFAB-SECBINFHSA-N 1 2 263.391 3.121 20 30 CGEDLO N#CC1(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000334476349 374782611 /nfs/dbraw/zinc/78/26/11/374782611.db2.gz OSAQUPKZUBATMY-UHFFFAOYSA-N 1 2 256.324 3.219 20 30 CGEDLO N#CC1(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000334476349 374782615 /nfs/dbraw/zinc/78/26/15/374782615.db2.gz OSAQUPKZUBATMY-UHFFFAOYSA-N 1 2 256.324 3.219 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OC)c1ccccc1C ZINC000466836360 374970222 /nfs/dbraw/zinc/97/02/22/374970222.db2.gz RIBQLWNOFCSYNB-HNNXBMFYSA-N 1 2 261.365 3.107 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OC)c1ccccc1C ZINC000466836360 374970233 /nfs/dbraw/zinc/97/02/33/374970233.db2.gz RIBQLWNOFCSYNB-HNNXBMFYSA-N 1 2 261.365 3.107 20 30 CGEDLO C[C@H]1[N@H+](CC#Cc2ccc(Cl)cc2)CCOC1(C)C ZINC000476965771 375142219 /nfs/dbraw/zinc/14/22/19/375142219.db2.gz CDTKRZPDXAVTGD-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO C[C@H]1[N@@H+](CC#Cc2ccc(Cl)cc2)CCOC1(C)C ZINC000476965771 375142224 /nfs/dbraw/zinc/14/22/24/375142224.db2.gz CDTKRZPDXAVTGD-CYBMUJFWSA-N 1 2 277.795 3.191 20 30 CGEDLO C=CCN(CC1CCCCC1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000504177993 375653261 /nfs/dbraw/zinc/65/32/61/375653261.db2.gz VCNBHCHAUZJZMW-UHFFFAOYSA-N 1 2 287.407 3.412 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000192070751 375696162 /nfs/dbraw/zinc/69/61/62/375696162.db2.gz ZGZYRYOJHMRJID-SNVBAGLBSA-N 1 2 270.735 3.092 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000192070751 375696168 /nfs/dbraw/zinc/69/61/68/375696168.db2.gz ZGZYRYOJHMRJID-SNVBAGLBSA-N 1 2 270.735 3.092 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc(C(F)(F)F)c1 ZINC000529524483 375928441 /nfs/dbraw/zinc/92/84/41/375928441.db2.gz BWCGOARGLAMIJX-SNVBAGLBSA-N 1 2 286.297 3.305 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(C(F)(F)F)c1 ZINC000529524483 375928447 /nfs/dbraw/zinc/92/84/47/375928447.db2.gz BWCGOARGLAMIJX-SNVBAGLBSA-N 1 2 286.297 3.305 20 30 CGEDLO COc1cc(C)[nH+]c(CNc2cc(C#N)ccc2C)c1 ZINC000214063960 376142752 /nfs/dbraw/zinc/14/27/52/376142752.db2.gz FSJWGCYJJOLAQA-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO N#Cc1cccc(C[NH+]2Cc3ccccc3C2)c1F ZINC000223535376 376255124 /nfs/dbraw/zinc/25/51/24/376255124.db2.gz IPYPXDVNTIOZTN-UHFFFAOYSA-N 1 2 252.292 3.213 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000541759960 376478602 /nfs/dbraw/zinc/47/86/02/376478602.db2.gz AQRCZCXNIMEULM-NSHDSACASA-N 1 2 263.410 3.440 20 30 CGEDLO C=C1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000264487433 190113670 /nfs/dbraw/zinc/11/36/70/190113670.db2.gz RVDISDQWGTZIER-UHFFFAOYSA-N 1 2 254.333 3.003 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCCCCNc2cccc[nH+]2)n1 ZINC000264676135 190127965 /nfs/dbraw/zinc/12/79/65/190127965.db2.gz RTIBBNQKZNHJNV-UHFFFAOYSA-N 1 2 295.390 3.269 20 30 CGEDLO Cc1cccc2[nH+]c(CN3CCc4ccc(C#N)cc43)cn21 ZINC000339822591 376861185 /nfs/dbraw/zinc/86/11/85/376861185.db2.gz VGMNLJWDPOUBRV-UHFFFAOYSA-N 1 2 288.354 3.077 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000562866244 377366201 /nfs/dbraw/zinc/36/62/01/377366201.db2.gz MLVUCFVBLNALNT-WFASDCNBSA-N 1 2 287.338 3.073 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000568786468 377523151 /nfs/dbraw/zinc/52/31/51/377523151.db2.gz CWRVVKQMUMYEDV-ZDUSSCGKSA-N 1 2 292.810 3.239 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000568786468 377523158 /nfs/dbraw/zinc/52/31/58/377523158.db2.gz CWRVVKQMUMYEDV-ZDUSSCGKSA-N 1 2 292.810 3.239 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000573548916 377558189 /nfs/dbraw/zinc/55/81/89/377558189.db2.gz UNVBASFEVDBJCI-NEPJUHHUSA-N 1 2 270.311 3.116 20 30 CGEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC3(C#N)CCC3)C2)no1 ZINC000574128790 377623753 /nfs/dbraw/zinc/62/37/53/377623753.db2.gz IDJMGVIHVBYKFH-CYBMUJFWSA-N 1 2 288.395 3.066 20 30 CGEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC3(C#N)CCC3)C2)no1 ZINC000574128790 377623762 /nfs/dbraw/zinc/62/37/62/377623762.db2.gz IDJMGVIHVBYKFH-CYBMUJFWSA-N 1 2 288.395 3.066 20 30 CGEDLO C=CCOc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000342284904 377637798 /nfs/dbraw/zinc/63/77/98/377637798.db2.gz FZZNXDRHCTVBEO-UHFFFAOYSA-N 1 2 298.386 3.408 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343524786 378006761 /nfs/dbraw/zinc/00/67/61/378006761.db2.gz MWMGZJCXPCWNPD-HNNXBMFYSA-N 1 2 297.402 3.406 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000578005868 378029187 /nfs/dbraw/zinc/02/91/87/378029187.db2.gz QXBPXUPYHTWHNI-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000578005868 378029192 /nfs/dbraw/zinc/02/91/92/378029192.db2.gz QXBPXUPYHTWHNI-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1Cl ZINC000267223905 378033127 /nfs/dbraw/zinc/03/31/27/378033127.db2.gz DMSPIBKGMADJBF-LBPRGKRZSA-N 1 2 287.754 3.061 20 30 CGEDLO C=C1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000269777684 378266467 /nfs/dbraw/zinc/26/64/67/378266467.db2.gz NRTFCOPUHYLVGM-AWEZNQCLSA-N 1 2 296.208 3.135 20 30 CGEDLO C=CCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccccc1 ZINC000269529601 378232700 /nfs/dbraw/zinc/23/27/00/378232700.db2.gz SNIGUVFKMXBGHP-AWEZNQCLSA-N 1 2 269.348 3.155 20 30 CGEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000269666040 378251379 /nfs/dbraw/zinc/25/13/79/378251379.db2.gz YVMDDXBFWBMJDG-UHFFFAOYSA-N 1 2 284.359 3.195 20 30 CGEDLO C#CC[N@H+](CC)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000269666040 378251383 /nfs/dbraw/zinc/25/13/83/378251383.db2.gz YVMDDXBFWBMJDG-UHFFFAOYSA-N 1 2 284.359 3.195 20 30 CGEDLO C=CC[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC000584030176 378367427 /nfs/dbraw/zinc/36/74/27/378367427.db2.gz PTLUYAFYVWOVEN-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1F ZINC000584030176 378367433 /nfs/dbraw/zinc/36/74/33/378367433.db2.gz PTLUYAFYVWOVEN-UHFFFAOYSA-N 1 2 281.334 3.281 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000271122536 378458022 /nfs/dbraw/zinc/45/80/22/378458022.db2.gz IOHCTLLTMRKCEB-LLVKDONJSA-N 1 2 288.782 3.322 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000271122536 378458025 /nfs/dbraw/zinc/45/80/25/378458025.db2.gz IOHCTLLTMRKCEB-LLVKDONJSA-N 1 2 288.782 3.322 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCO[C@@H](C)C2)c1 ZINC000271352635 378489676 /nfs/dbraw/zinc/48/96/76/378489676.db2.gz LRQMUORHWUOFQV-VYBPFTPOSA-N 1 2 277.364 3.025 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@@H]2Cc3ccccc32)CCC[C@@]12CCCCO2 ZINC000347067002 378707545 /nfs/dbraw/zinc/70/75/45/378707545.db2.gz AVBCWWJUGDBSIF-WDSOQIARSA-N 1 2 296.414 3.254 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2Cc3ccccc32)CCC[C@@]12CCCCO2 ZINC000347067002 378707550 /nfs/dbraw/zinc/70/75/50/378707550.db2.gz AVBCWWJUGDBSIF-WDSOQIARSA-N 1 2 296.414 3.254 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000274329084 378810360 /nfs/dbraw/zinc/81/03/60/378810360.db2.gz IHHZPVKVLTUENE-LLVKDONJSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1nonc1C)c1ccc(F)c(F)c1 ZINC000274922082 378919646 /nfs/dbraw/zinc/91/96/46/378919646.db2.gz ZGZGTPUIOCZOTE-CQSZACIVSA-N 1 2 279.290 3.063 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000348543047 378983793 /nfs/dbraw/zinc/98/37/93/378983793.db2.gz FIUKAWOKFIFRHX-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000348543047 378983803 /nfs/dbraw/zinc/98/38/03/378983803.db2.gz FIUKAWOKFIFRHX-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000373233906 379248352 /nfs/dbraw/zinc/24/83/52/379248352.db2.gz ZTBWNUODFRPQOF-ZDUSSCGKSA-N 1 2 290.411 3.044 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373233906 379248356 /nfs/dbraw/zinc/24/83/56/379248356.db2.gz ZTBWNUODFRPQOF-ZDUSSCGKSA-N 1 2 290.411 3.044 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)s1 ZINC000374303630 379415360 /nfs/dbraw/zinc/41/53/60/379415360.db2.gz WDZPVCRCQHYSPG-GFCCVEGCSA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)s1 ZINC000374303630 379415364 /nfs/dbraw/zinc/41/53/64/379415364.db2.gz WDZPVCRCQHYSPG-GFCCVEGCSA-N 1 2 275.402 3.413 20 30 CGEDLO CCCCCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374328696 379421124 /nfs/dbraw/zinc/42/11/24/379421124.db2.gz KAJMIHBZHNNNGF-AWEZNQCLSA-N 1 2 277.412 3.097 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccccc2OC)n1 ZINC000266908246 190289196 /nfs/dbraw/zinc/28/91/96/190289196.db2.gz IJINVMOAOCMIML-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccccc2OC)n1 ZINC000266908246 190289197 /nfs/dbraw/zinc/28/91/97/190289197.db2.gz IJINVMOAOCMIML-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000640029544 379693871 /nfs/dbraw/zinc/69/38/71/379693871.db2.gz IXDSOSSGXQKIHK-JKSUJKDBSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000640029544 379693878 /nfs/dbraw/zinc/69/38/78/379693878.db2.gz IXDSOSSGXQKIHK-JKSUJKDBSA-N 1 2 256.349 3.013 20 30 CGEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000280705514 379769206 /nfs/dbraw/zinc/76/92/06/379769206.db2.gz HFUAZEQLDLMQTO-BLLLJJGKSA-N 1 2 269.348 3.023 20 30 CGEDLO C=C[C@H]1CCCCN1c1[nH+]c2cccc(F)c2n1C ZINC000409664052 380053064 /nfs/dbraw/zinc/05/30/64/380053064.db2.gz DFMUBVBDNXDHCT-NSHDSACASA-N 1 2 259.328 3.257 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(C)no1 ZINC000642194546 380146872 /nfs/dbraw/zinc/14/68/72/380146872.db2.gz BMPGPORXDRWABS-LBPRGKRZSA-N 1 2 257.337 3.127 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(C)no1 ZINC000642194546 380146873 /nfs/dbraw/zinc/14/68/73/380146873.db2.gz BMPGPORXDRWABS-LBPRGKRZSA-N 1 2 257.337 3.127 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)C(F)F)cc1OC ZINC000641792346 380105379 /nfs/dbraw/zinc/10/53/79/380105379.db2.gz RXTCXVLMFCRMNY-SNVBAGLBSA-N 1 2 271.307 3.003 20 30 CGEDLO C=CCN(C(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000641897283 380120531 /nfs/dbraw/zinc/12/05/31/380120531.db2.gz JXWNPQORXSZNOF-UHFFFAOYSA-N 1 2 291.354 3.096 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414375230 380217163 /nfs/dbraw/zinc/21/71/63/380217163.db2.gz YFKOUVXBVRHTMR-UHFFFAOYSA-N 1 2 286.354 3.055 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414375230 380217168 /nfs/dbraw/zinc/21/71/68/380217168.db2.gz YFKOUVXBVRHTMR-UHFFFAOYSA-N 1 2 286.354 3.055 20 30 CGEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000353674507 380218075 /nfs/dbraw/zinc/21/80/75/380218075.db2.gz FGQYQKZXDLAQFE-YMTOWFKASA-N 1 2 284.388 3.056 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)s1 ZINC000354059967 380304817 /nfs/dbraw/zinc/30/48/17/380304817.db2.gz YOVAQSCXYORGAB-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)s1 ZINC000354059967 380304824 /nfs/dbraw/zinc/30/48/24/380304824.db2.gz YOVAQSCXYORGAB-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)s1 ZINC000354730993 380542839 /nfs/dbraw/zinc/54/28/39/380542839.db2.gz LFCXZJDRLNZAOX-CYBMUJFWSA-N 1 2 276.405 3.011 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)s1 ZINC000354730993 380542849 /nfs/dbraw/zinc/54/28/49/380542849.db2.gz LFCXZJDRLNZAOX-CYBMUJFWSA-N 1 2 276.405 3.011 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000645262265 380635837 /nfs/dbraw/zinc/63/58/37/380635837.db2.gz JHVBIYRNDBGLHG-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000645262265 380635840 /nfs/dbraw/zinc/63/58/40/380635840.db2.gz JHVBIYRNDBGLHG-JTQLQIEISA-N 1 2 299.201 3.276 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nn(C)c(C)c1Cl ZINC000421336834 380879541 /nfs/dbraw/zinc/87/95/41/380879541.db2.gz AVXONYDJYNRVGM-UHFFFAOYSA-N 1 2 293.798 3.206 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nn(C)c(C)c1Cl ZINC000421336834 380879553 /nfs/dbraw/zinc/87/95/53/380879553.db2.gz AVXONYDJYNRVGM-UHFFFAOYSA-N 1 2 293.798 3.206 20 30 CGEDLO CC1(CC(F)(F)F)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000421378020 380918406 /nfs/dbraw/zinc/91/84/06/380918406.db2.gz GRCKLEIXNMDIER-UHFFFAOYSA-N 1 2 286.272 3.472 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000359869908 381378997 /nfs/dbraw/zinc/37/89/97/381378997.db2.gz FQTBEPDGEPCAJD-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(F)ccc1C#N ZINC000359869908 381379004 /nfs/dbraw/zinc/37/90/04/381379004.db2.gz FQTBEPDGEPCAJD-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccsc1 ZINC000360327862 381518623 /nfs/dbraw/zinc/51/86/23/381518623.db2.gz CITCBJIEHIRFOG-CQSZACIVSA-N 1 2 292.791 3.096 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(C)o2)n1 ZINC000361996868 381878778 /nfs/dbraw/zinc/87/87/78/381878778.db2.gz QIKIISCPLFSELS-UHFFFAOYSA-N 1 2 292.404 3.346 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(C)o2)n1 ZINC000361996868 381878783 /nfs/dbraw/zinc/87/87/83/381878783.db2.gz QIKIISCPLFSELS-UHFFFAOYSA-N 1 2 292.404 3.346 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccc(Cl)c(F)c1 ZINC000361830509 381871357 /nfs/dbraw/zinc/87/13/57/381871357.db2.gz RJUKLDVSZHRBKB-UHFFFAOYSA-N 1 2 270.735 3.093 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccc(Cl)c(F)c1 ZINC000361830509 381871364 /nfs/dbraw/zinc/87/13/64/381871364.db2.gz RJUKLDVSZHRBKB-UHFFFAOYSA-N 1 2 270.735 3.093 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC=C(Br)C2)c1 ZINC000281602762 195303667 /nfs/dbraw/zinc/30/36/67/195303667.db2.gz IHDJGVWUQVLXOA-UHFFFAOYSA-N 1 2 277.165 3.043 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC=C(Br)C2)c1 ZINC000281602762 195303668 /nfs/dbraw/zinc/30/36/68/195303668.db2.gz IHDJGVWUQVLXOA-UHFFFAOYSA-N 1 2 277.165 3.043 20 30 CGEDLO COCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccco1 ZINC000428358516 533312191 /nfs/dbraw/zinc/31/21/91/533312191.db2.gz HKAWGHALKYRTEE-HNNXBMFYSA-N 1 2 288.322 3.158 20 30 CGEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OCC(C)C ZINC000352091072 533539844 /nfs/dbraw/zinc/53/98/44/533539844.db2.gz GHNOQADVAUQPCZ-AWEZNQCLSA-N 1 2 290.407 3.321 20 30 CGEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OCC(C)C ZINC000352091072 533539850 /nfs/dbraw/zinc/53/98/50/533539850.db2.gz GHNOQADVAUQPCZ-AWEZNQCLSA-N 1 2 290.407 3.321 20 30 CGEDLO COc1c(C)c[nH+]c(COc2ccc(C#N)cc2)c1C ZINC000019844428 391937669 /nfs/dbraw/zinc/93/76/69/391937669.db2.gz NNFHYZBJEZHEFI-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO C=CC[N@@H+](Cc1c(C)cnn1C)Cc1ccccc1F ZINC000289108158 392413344 /nfs/dbraw/zinc/41/33/44/392413344.db2.gz MPEAWQDLVWBLIW-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=CC[N@H+](Cc1c(C)cnn1C)Cc1ccccc1F ZINC000289108158 392413349 /nfs/dbraw/zinc/41/33/49/392413349.db2.gz MPEAWQDLVWBLIW-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000289121538 392415498 /nfs/dbraw/zinc/41/54/98/392415498.db2.gz WYNZJGRNYTZCCJ-GFCCVEGCSA-N 1 2 282.347 3.378 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@@H]2CC=CCC2)CCC[C@]12CCCCO2 ZINC000366151289 392451388 /nfs/dbraw/zinc/45/13/88/392451388.db2.gz JEWZKBASPFQLRW-IXDOHACOSA-N 1 2 274.408 3.270 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CC=CCC2)CCC[C@]12CCCCO2 ZINC000366151289 392451394 /nfs/dbraw/zinc/45/13/94/392451394.db2.gz JEWZKBASPFQLRW-IXDOHACOSA-N 1 2 274.408 3.270 20 30 CGEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000121010245 392406025 /nfs/dbraw/zinc/40/60/25/392406025.db2.gz JYIDPAXPJIOHAA-QWRGUYRKSA-N 1 2 263.291 3.059 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000173539409 392627405 /nfs/dbraw/zinc/62/74/05/392627405.db2.gz CSYWFGDZZLTAMD-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000173539409 392627409 /nfs/dbraw/zinc/62/74/09/392627409.db2.gz CSYWFGDZZLTAMD-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO N#C[C@@H]1CC[C@H](N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000338898365 392934454 /nfs/dbraw/zinc/93/44/54/392934454.db2.gz CYLSYGMBRZCZBG-IXXMMVOQSA-N 1 2 295.430 3.010 20 30 CGEDLO C[N@H+](Cc1nccn1Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000339006494 392939926 /nfs/dbraw/zinc/93/99/26/392939926.db2.gz NMXKEKMRXWWEGO-IRXDYDNUSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000339006494 392939928 /nfs/dbraw/zinc/93/99/28/392939928.db2.gz NMXKEKMRXWWEGO-IRXDYDNUSA-N 1 2 294.402 3.055 20 30 CGEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343064315 393017648 /nfs/dbraw/zinc/01/76/48/393017648.db2.gz QRCBNWZHIWQBMX-ZWNOBZJWSA-N 1 2 286.297 3.494 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000351179872 393165200 /nfs/dbraw/zinc/16/52/00/393165200.db2.gz FNFTYDHPEHYQRW-ABAIWWIYSA-N 1 2 280.318 3.030 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000351179872 393165211 /nfs/dbraw/zinc/16/52/11/393165211.db2.gz FNFTYDHPEHYQRW-ABAIWWIYSA-N 1 2 280.318 3.030 20 30 CGEDLO C=CC[C@H](C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348833032 393132205 /nfs/dbraw/zinc/13/22/05/393132205.db2.gz LJZVXLXSQMYUIY-UONOGXRCSA-N 1 2 270.380 3.339 20 30 CGEDLO CC1(C#N)CCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000568995644 393194825 /nfs/dbraw/zinc/19/48/25/393194825.db2.gz LJRNKEOXVSFRCI-UHFFFAOYSA-N 1 2 291.358 3.241 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000648926389 393292804 /nfs/dbraw/zinc/29/28/04/393292804.db2.gz MTVQLXYDMAMIPJ-UHFFFAOYSA-N 1 2 269.348 3.409 20 30 CGEDLO Cc1cc(C[N@H+](C)Cc2nc(C#N)cs2)ccc1F ZINC000356400658 393436201 /nfs/dbraw/zinc/43/62/01/393436201.db2.gz FBIRPJGOHBTABX-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1cc(C[N@@H+](C)Cc2nc(C#N)cs2)ccc1F ZINC000356400658 393436203 /nfs/dbraw/zinc/43/62/03/393436203.db2.gz FBIRPJGOHBTABX-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1cc(NC(=O)[C@@H](C)C#N)ccc1Oc1cc[nH+]cc1 ZINC000428190416 393461212 /nfs/dbraw/zinc/46/12/12/393461212.db2.gz FHYJULPYQHSPQW-LBPRGKRZSA-N 1 2 281.315 3.281 20 30 CGEDLO N#Cc1c(F)cccc1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000488244617 393473566 /nfs/dbraw/zinc/47/35/66/393473566.db2.gz PQCVEWLWWLAZKP-UHFFFAOYSA-N 1 2 287.244 3.374 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cc(C)n(C)n1)c1ccc(F)c(F)c1 ZINC000360630569 393571082 /nfs/dbraw/zinc/57/10/82/393571082.db2.gz VIZSFBGDSTWRDF-INIZCTEOSA-N 1 2 291.345 3.414 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489259375 393581877 /nfs/dbraw/zinc/58/18/77/393581877.db2.gz WZVXAESZRFSOQL-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000489259375 393581885 /nfs/dbraw/zinc/58/18/85/393581885.db2.gz WZVXAESZRFSOQL-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO CC(C)c1ncc(C[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000443065254 393742067 /nfs/dbraw/zinc/74/20/67/393742067.db2.gz HXCVCSNTYQRHQP-UHFFFAOYSA-N 1 2 286.404 3.165 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000443065254 393742068 /nfs/dbraw/zinc/74/20/68/393742068.db2.gz HXCVCSNTYQRHQP-UHFFFAOYSA-N 1 2 286.404 3.165 20 30 CGEDLO C=CC[C@H](CC)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455467396 394279830 /nfs/dbraw/zinc/27/98/30/394279830.db2.gz ATWBETNTMYSGQT-ZDUSSCGKSA-N 1 2 261.369 3.483 20 30 CGEDLO C=C(C)CN(Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000668090315 542968777 /nfs/dbraw/zinc/96/87/77/542968777.db2.gz KJJQXHRPBDLOLW-UHFFFAOYSA-N 1 2 281.403 3.408 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)ccn1 ZINC000671720912 543180791 /nfs/dbraw/zinc/18/07/91/543180791.db2.gz KIQVODUHFSTVDC-UHFFFAOYSA-N 1 2 286.375 3.054 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)ccn1 ZINC000671720912 543180794 /nfs/dbraw/zinc/18/07/94/543180794.db2.gz KIQVODUHFSTVDC-UHFFFAOYSA-N 1 2 286.375 3.054 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)CO1 ZINC000649822635 397729192 /nfs/dbraw/zinc/72/91/92/397729192.db2.gz LQBPAUPFVJEBSE-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)CO1 ZINC000649822635 397729197 /nfs/dbraw/zinc/72/91/97/397729197.db2.gz LQBPAUPFVJEBSE-CQSZACIVSA-N 1 2 289.806 3.335 20 30 CGEDLO CCCCc1noc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000073615902 165077918 /nfs/dbraw/zinc/07/79/18/165077918.db2.gz WQZUNZATOZTCFB-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO CCCCc1noc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000073615902 165077921 /nfs/dbraw/zinc/07/79/21/165077921.db2.gz WQZUNZATOZTCFB-ZDUSSCGKSA-N 1 2 298.390 3.477 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1c(F)cccc1Cl ZINC000343561222 224798254 /nfs/dbraw/zinc/79/82/54/224798254.db2.gz HNLMZEXQBYXPLE-SECBINFHSA-N 1 2 252.720 3.433 20 30 CGEDLO C=CCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000683785519 543942440 /nfs/dbraw/zinc/94/24/40/543942440.db2.gz ZDLGAZUQCNTUAH-INIZCTEOSA-N 1 2 290.382 3.045 20 30 CGEDLO C=CCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1F ZINC000683785519 543942441 /nfs/dbraw/zinc/94/24/41/543942441.db2.gz ZDLGAZUQCNTUAH-INIZCTEOSA-N 1 2 290.382 3.045 20 30 CGEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)c1ccc(C#N)cc1 ZINC000132044820 287395591 /nfs/dbraw/zinc/39/55/91/287395591.db2.gz CJTVZRWZKVNKEL-UHFFFAOYSA-N 1 2 295.342 3.383 20 30 CGEDLO C=C[C@H](CO)Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000664606414 418985475 /nfs/dbraw/zinc/98/54/75/418985475.db2.gz WOWJMGVAFNXHGG-LLVKDONJSA-N 1 2 277.412 3.030 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccccc2)nn1 ZINC000653583565 419053828 /nfs/dbraw/zinc/05/38/28/419053828.db2.gz JSGDAIJBHTURJG-QGZVFWFLSA-N 1 2 296.418 3.437 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)nn1 ZINC000653583565 419053831 /nfs/dbraw/zinc/05/38/31/419053831.db2.gz JSGDAIJBHTURJG-QGZVFWFLSA-N 1 2 296.418 3.437 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)nn1 ZINC000653592892 419056454 /nfs/dbraw/zinc/05/64/54/419056454.db2.gz XNGVBSFYJQLGTG-UHFFFAOYSA-N 1 2 296.418 3.148 20 30 CGEDLO C=CCCn1cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)nn1 ZINC000653592892 419056457 /nfs/dbraw/zinc/05/64/57/419056457.db2.gz XNGVBSFYJQLGTG-UHFFFAOYSA-N 1 2 296.418 3.148 20 30 CGEDLO C=CC[N@H+](Cc1csc(-c2ccoc2)n1)[C@@H](C)COC ZINC000661242501 419244835 /nfs/dbraw/zinc/24/48/35/419244835.db2.gz BLSINMCAENIGCY-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1csc(-c2ccoc2)n1)[C@@H](C)COC ZINC000661242501 419244838 /nfs/dbraw/zinc/24/48/38/419244838.db2.gz BLSINMCAENIGCY-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]ncc1Br ZINC000657890034 419413488 /nfs/dbraw/zinc/41/34/88/419413488.db2.gz KRIYZRUKUZFKSG-ZYHUDNBSSA-N 1 2 298.228 3.397 20 30 CGEDLO C=CCCC(C)(C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000664210183 419860039 /nfs/dbraw/zinc/86/00/39/419860039.db2.gz JTOOLJZSVUNWLL-UHFFFAOYSA-N 1 2 292.427 3.083 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](C#N)CCC#N ZINC000072590060 260277218 /nfs/dbraw/zinc/27/72/18/260277218.db2.gz UBPXBRZNCKTPOK-JTQLQIEISA-N 1 2 267.785 3.277 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)s1)C[C@H](C#N)CCC#N ZINC000072590060 260277220 /nfs/dbraw/zinc/27/72/20/260277220.db2.gz UBPXBRZNCKTPOK-JTQLQIEISA-N 1 2 267.785 3.277 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000154255196 261089581 /nfs/dbraw/zinc/08/95/81/261089581.db2.gz SAKQGKJTGVVABA-UHFFFAOYSA-N 1 2 288.391 3.377 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000154255196 261089582 /nfs/dbraw/zinc/08/95/82/261089582.db2.gz SAKQGKJTGVVABA-UHFFFAOYSA-N 1 2 288.391 3.377 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000184083855 262007920 /nfs/dbraw/zinc/00/79/20/262007920.db2.gz YDONDQBUOFGEGC-CYBMUJFWSA-N 1 2 275.371 3.208 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@H]2CCO[C@H](C(C)C)C2)c1O ZINC000271368211 262996181 /nfs/dbraw/zinc/99/61/81/262996181.db2.gz ZUBAEMVAUSGJPS-IPTOOOSXSA-N 1 2 277.364 3.023 20 30 CGEDLO CC(C)C[C@@H]1C[C@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271939373 263000319 /nfs/dbraw/zinc/00/03/19/263000319.db2.gz OEHLVLZHAMOADC-DPOBWDHUSA-N 1 2 277.364 3.110 20 30 CGEDLO CC(C)(C#N)CCO[NH+]=C(N)Cc1ccccc1Cl ZINC000272160016 263002601 /nfs/dbraw/zinc/00/26/01/263002601.db2.gz XDYMRPVWNFHRMS-UHFFFAOYSA-N 1 2 279.771 3.111 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nc(Cc2ccccc2)no1 ZINC000274499838 263024830 /nfs/dbraw/zinc/02/48/30/263024830.db2.gz KHXKQHDTZARRET-NWANDNLSSA-N 1 2 296.374 3.003 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000276303289 263035974 /nfs/dbraw/zinc/03/59/74/263035974.db2.gz KJOSYSBDTKGVAD-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000276303289 263035975 /nfs/dbraw/zinc/03/59/75/263035975.db2.gz KJOSYSBDTKGVAD-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000276303283 263035978 /nfs/dbraw/zinc/03/59/78/263035978.db2.gz KJOSYSBDTKGVAD-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000276303283 263035979 /nfs/dbraw/zinc/03/59/79/263035979.db2.gz KJOSYSBDTKGVAD-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](c2ccsc2)O1 ZINC000278569742 263049218 /nfs/dbraw/zinc/04/92/18/263049218.db2.gz JCIOFWDJZMBHFY-QHSBEEBCSA-N 1 2 276.405 3.202 20 30 CGEDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](c2ccsc2)O1 ZINC000278569742 263049219 /nfs/dbraw/zinc/04/92/19/263049219.db2.gz JCIOFWDJZMBHFY-QHSBEEBCSA-N 1 2 276.405 3.202 20 30 CGEDLO CC(C)n1nccc1CNc1[nH+]cccc1OCCCC#N ZINC000280097988 263059032 /nfs/dbraw/zinc/05/90/32/263059032.db2.gz UHBCFAJATJRFDO-UHFFFAOYSA-N 1 2 299.378 3.154 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000280965782 263065407 /nfs/dbraw/zinc/06/54/07/263065407.db2.gz ITADALPMXWKQJZ-FZNAGJORSA-N 1 2 277.364 3.025 20 30 CGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CC[C@H](C#N)C1 ZINC000292897026 263136089 /nfs/dbraw/zinc/13/60/89/263136089.db2.gz VREKIQAYFKOKAH-IUCAKERBSA-N 1 2 289.326 3.286 20 30 CGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CC[C@H](C#N)C1 ZINC000292897026 263136090 /nfs/dbraw/zinc/13/60/90/263136090.db2.gz VREKIQAYFKOKAH-IUCAKERBSA-N 1 2 289.326 3.286 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000298275605 263216859 /nfs/dbraw/zinc/21/68/59/263216859.db2.gz ACYDXMBFGDCORQ-NEPJUHHUSA-N 1 2 293.317 3.382 20 30 CGEDLO CC(C)([NH2+]CCC#N)c1ccccc1Br ZINC000298794762 263226069 /nfs/dbraw/zinc/22/60/69/263226069.db2.gz DQCCNGFIRIBYDN-UHFFFAOYSA-N 1 2 267.170 3.187 20 30 CGEDLO COc1ccc2oc([C@H](C)[NH2+]CCC#N)c(C)c2c1 ZINC000298817213 263226759 /nfs/dbraw/zinc/22/67/59/263226759.db2.gz FWBTWPSUOZQOAE-NSHDSACASA-N 1 2 258.321 3.314 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000453306977 263227406 /nfs/dbraw/zinc/22/74/06/263227406.db2.gz KZOQGSULNJITSY-CYBMUJFWSA-N 1 2 262.401 3.228 20 30 CGEDLO C=CCCCCCS[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000341998490 263374130 /nfs/dbraw/zinc/37/41/30/263374130.db2.gz FTPFNIMTXLSYLP-HNNXBMFYSA-N 1 2 298.496 3.019 20 30 CGEDLO Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)no1 ZINC000342195516 263398871 /nfs/dbraw/zinc/39/88/71/263398871.db2.gz BQZJKMVUOQSVKN-HNNXBMFYSA-N 1 2 255.321 3.118 20 30 CGEDLO CCCCc1noc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000330780752 264035895 /nfs/dbraw/zinc/03/58/95/264035895.db2.gz NXHNNSKNCAHWPA-GFCCVEGCSA-N 1 2 276.384 3.099 20 30 CGEDLO C=CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000070949975 264243422 /nfs/dbraw/zinc/24/34/22/264243422.db2.gz PHDNYYRNDTWCHA-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000070949975 264243420 /nfs/dbraw/zinc/24/34/20/264243420.db2.gz PHDNYYRNDTWCHA-UHFFFAOYSA-N 1 2 281.812 3.323 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000357411567 266291458 /nfs/dbraw/zinc/29/14/58/266291458.db2.gz UUMNXIWIUZYDRM-HNNXBMFYSA-N 1 2 297.402 3.302 20 30 CGEDLO Cc1cc(N(C)CCc2cccs2)c(C#N)c[nH+]1 ZINC000399548063 267332213 /nfs/dbraw/zinc/33/22/13/267332213.db2.gz ZDBWQOXXFOWSNS-UHFFFAOYSA-N 1 2 257.362 3.002 20 30 CGEDLO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000371397033 267398982 /nfs/dbraw/zinc/39/89/82/267398982.db2.gz WUSGHQKWLQXGCG-KRWDZBQOSA-N 1 2 296.370 3.332 20 30 CGEDLO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000371397033 267398983 /nfs/dbraw/zinc/39/89/83/267398983.db2.gz WUSGHQKWLQXGCG-KRWDZBQOSA-N 1 2 296.370 3.332 20 30 CGEDLO Cc1cc(N[C@H]2CCCc3ccc(F)cc32)c(C#N)c[nH+]1 ZINC000425256634 274674452 /nfs/dbraw/zinc/67/44/52/274674452.db2.gz HJXQEZBZRIYNPB-INIZCTEOSA-N 1 2 281.334 3.312 20 30 CGEDLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1nc(C#N)cs1 ZINC000334526999 278397988 /nfs/dbraw/zinc/39/79/88/278397988.db2.gz MKMVWKQCLOQSFV-UHFFFAOYSA-N 1 2 289.429 3.413 20 30 CGEDLO CC1(C)Cc2ccsc2C[N@H+]1Cc1nc(C#N)cs1 ZINC000334526999 278397990 /nfs/dbraw/zinc/39/79/90/278397990.db2.gz MKMVWKQCLOQSFV-UHFFFAOYSA-N 1 2 289.429 3.413 20 30 CGEDLO N#CC1(F)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000352485105 279477738 /nfs/dbraw/zinc/47/77/38/279477738.db2.gz XQJKKSHFTTTXHM-UHFFFAOYSA-N 1 2 276.742 3.019 20 30 CGEDLO N#Cc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000125345794 279516197 /nfs/dbraw/zinc/51/61/97/279516197.db2.gz MQXLDSBIXNDTCF-ZDUSSCGKSA-N 1 2 272.377 3.070 20 30 CGEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356127617 280055882 /nfs/dbraw/zinc/05/58/82/280055882.db2.gz XIGZPSKZXOLQHT-WDEREUQCSA-N 1 2 298.308 3.186 20 30 CGEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356127617 280055887 /nfs/dbraw/zinc/05/58/87/280055887.db2.gz XIGZPSKZXOLQHT-WDEREUQCSA-N 1 2 298.308 3.186 20 30 CGEDLO Cc1ccc(CNc2cc(C#N)ccc2C)c(C)[nH+]1 ZINC000184424362 280834172 /nfs/dbraw/zinc/83/41/72/280834172.db2.gz LVOBFXIEIQBRGD-UHFFFAOYSA-N 1 2 251.333 3.491 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549407534 289042919 /nfs/dbraw/zinc/04/29/19/289042919.db2.gz DXYIRGQQLDABAA-LBPRGKRZSA-N 1 2 286.709 3.025 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549407534 289042920 /nfs/dbraw/zinc/04/29/20/289042920.db2.gz DXYIRGQQLDABAA-LBPRGKRZSA-N 1 2 286.709 3.025 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000411747183 328098612 /nfs/dbraw/zinc/09/86/12/328098612.db2.gz VKYXRZRAOCXNIB-CYBMUJFWSA-N 1 2 253.349 3.149 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000411747183 328098614 /nfs/dbraw/zinc/09/86/14/328098614.db2.gz VKYXRZRAOCXNIB-CYBMUJFWSA-N 1 2 253.349 3.149 20 30 CGEDLO C=CCCCCCNC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000571462854 328123445 /nfs/dbraw/zinc/12/34/45/328123445.db2.gz WVLQJAFMCOXUDW-ZDUSSCGKSA-N 1 2 278.400 3.010 20 30 CGEDLO CN(C)c1ccc2cc(NC(=O)CC(C)(C)C#N)ccc2[nH+]1 ZINC000278193259 328224581 /nfs/dbraw/zinc/22/45/81/328224581.db2.gz DSGGTOJWSSHZKS-UHFFFAOYSA-N 1 2 296.374 3.179 20 30 CGEDLO CO[C@H](C[N@H+](C)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639285 328244638 /nfs/dbraw/zinc/24/46/38/328244638.db2.gz SNQDXWNZOOYELO-SMDDNHRTSA-N 1 2 266.772 3.119 20 30 CGEDLO CO[C@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000283639285 328244639 /nfs/dbraw/zinc/24/46/39/328244639.db2.gz SNQDXWNZOOYELO-SMDDNHRTSA-N 1 2 266.772 3.119 20 30 CGEDLO Cc1cccn2cc(COc3ccc(C#N)c(F)c3)[nH+]c12 ZINC000563722832 322008027 /nfs/dbraw/zinc/00/80/27/322008027.db2.gz JJXVEKJMBIZJJZ-UHFFFAOYSA-N 1 2 281.290 3.233 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(C#N)cn1 ZINC000569066381 322233530 /nfs/dbraw/zinc/23/35/30/322233530.db2.gz YXFGHNKCOIGQOQ-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(C#N)cn1 ZINC000569066381 322233531 /nfs/dbraw/zinc/23/35/31/322233531.db2.gz YXFGHNKCOIGQOQ-UHFFFAOYSA-N 1 2 294.383 3.195 20 30 CGEDLO C=C(C)COc1cccc(NCc2[nH+]cc(C)n2C)c1 ZINC000341254891 328405331 /nfs/dbraw/zinc/40/53/31/328405331.db2.gz ACTCJJGNLQYNOO-UHFFFAOYSA-N 1 2 271.364 3.296 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000341659490 328413518 /nfs/dbraw/zinc/41/35/18/328413518.db2.gz YDRFPGJOEAQGFC-CQSZACIVSA-N 1 2 283.375 3.265 20 30 CGEDLO CCOc1cccc(C[NH2+]CC2(C#N)CC2)c1OC(F)F ZINC000567174840 328454072 /nfs/dbraw/zinc/45/40/72/328454072.db2.gz ACANQFAHPKYHNX-UHFFFAOYSA-N 1 2 296.317 3.080 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)on1 ZINC000289978628 328527942 /nfs/dbraw/zinc/52/79/42/328527942.db2.gz XTGPTKJVCWUTME-CYBMUJFWSA-N 1 2 272.348 3.399 20 30 CGEDLO CCc1cccc(F)c1CNc1cc(CC#N)cc[nH+]1 ZINC000530527674 326850533 /nfs/dbraw/zinc/85/05/33/326850533.db2.gz VFXRZYIRAWOVBB-UHFFFAOYSA-N 1 2 269.323 3.461 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000584122659 327045109 /nfs/dbraw/zinc/04/51/09/327045109.db2.gz YOEMXPDHNVXKOM-YOEHRIQHSA-N 1 2 297.402 3.412 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000584122659 327045110 /nfs/dbraw/zinc/04/51/10/327045110.db2.gz YOEMXPDHNVXKOM-YOEHRIQHSA-N 1 2 297.402 3.412 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000177361770 329183601 /nfs/dbraw/zinc/18/36/01/329183601.db2.gz KHCZAJASJGHSHK-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000177361770 329183603 /nfs/dbraw/zinc/18/36/03/329183603.db2.gz KHCZAJASJGHSHK-HNNXBMFYSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000527116370 330223225 /nfs/dbraw/zinc/22/32/25/330223225.db2.gz QYRAMLQBVBLKIA-NSHDSACASA-N 1 2 286.404 3.262 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000527116370 330223226 /nfs/dbraw/zinc/22/32/26/330223226.db2.gz QYRAMLQBVBLKIA-NSHDSACASA-N 1 2 286.404 3.262 20 30 CGEDLO CC(C)(C)c1nc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000057875791 330379612 /nfs/dbraw/zinc/37/96/12/330379612.db2.gz HWOMCBUZBXWMCO-UHFFFAOYSA-N 1 2 263.410 3.176 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000428407725 330522481 /nfs/dbraw/zinc/52/24/81/330522481.db2.gz REMPGFJIYULUEE-GOEBONIOSA-N 1 2 275.392 3.462 20 30 CGEDLO C=C[C@@H](C)Nc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000432328469 330597364 /nfs/dbraw/zinc/59/73/64/330597364.db2.gz WRSZKPMWEXZERF-GFCCVEGCSA-N 1 2 254.337 3.231 20 30 CGEDLO C=CCC1(C(=O)NCc2c[nH+]ccc2OC)CCCCC1 ZINC000452159191 331056498 /nfs/dbraw/zinc/05/64/98/331056498.db2.gz JIJCPMDDUVXEQC-UHFFFAOYSA-N 1 2 288.391 3.233 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(CC#N)cc1Cl ZINC000453127688 331092084 /nfs/dbraw/zinc/09/20/84/331092084.db2.gz LQHOSOSMSBAUAG-UHFFFAOYSA-N 1 2 274.755 3.235 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454815239 331154269 /nfs/dbraw/zinc/15/42/69/331154269.db2.gz SFPGENJDWYAIDE-CYBMUJFWSA-N 1 2 275.396 3.242 20 30 CGEDLO C=CCC1(NC(=O)c2ccc3[nH+]ccn3c2)CCCCC1 ZINC000456359551 331190863 /nfs/dbraw/zinc/19/08/63/331190863.db2.gz CFMKZFPVGIHOBU-UHFFFAOYSA-N 1 2 283.375 3.343 20 30 CGEDLO C=C(CC)CNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000459076457 331269408 /nfs/dbraw/zinc/26/94/08/331269408.db2.gz ASGGVVIYFDBFCE-CQSZACIVSA-N 1 2 290.411 3.106 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000459333788 331276572 /nfs/dbraw/zinc/27/65/72/331276572.db2.gz DJLUMHDJUAZUQW-UHFFFAOYSA-N 1 2 272.396 3.116 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000459333788 331276573 /nfs/dbraw/zinc/27/65/73/331276573.db2.gz DJLUMHDJUAZUQW-UHFFFAOYSA-N 1 2 272.396 3.116 20 30 CGEDLO C=C(C)CC[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000459629034 331291014 /nfs/dbraw/zinc/29/10/14/331291014.db2.gz JPXJINGMLCGUQC-OAHLLOKOSA-N 1 2 261.365 3.073 20 30 CGEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000491393420 332203222 /nfs/dbraw/zinc/20/32/22/332203222.db2.gz HOVXUMQINJAGNE-DOTOQJQBSA-N 1 2 296.414 3.041 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1 ZINC000491393420 332203223 /nfs/dbraw/zinc/20/32/23/332203223.db2.gz HOVXUMQINJAGNE-DOTOQJQBSA-N 1 2 296.414 3.041 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000491475215 332218536 /nfs/dbraw/zinc/21/85/36/332218536.db2.gz UVRBPWBSPFMPSG-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000491475215 332218537 /nfs/dbraw/zinc/21/85/37/332218537.db2.gz UVRBPWBSPFMPSG-UHFFFAOYSA-N 1 2 260.362 3.247 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(CCC)c1)c1ccc(Cl)cc1 ZINC000491663610 332272751 /nfs/dbraw/zinc/27/27/51/332272751.db2.gz RRVPKEMAQMLFNA-INIZCTEOSA-N 1 2 287.794 3.411 20 30 CGEDLO C=CCCCCCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000493394405 332438328 /nfs/dbraw/zinc/43/83/28/332438328.db2.gz CPVBLUAQCMLPPO-ZHACJKMWSA-N 1 2 275.396 3.121 20 30 CGEDLO CC#CC[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000576056697 335147120 /nfs/dbraw/zinc/14/71/20/335147120.db2.gz SXLKCRVREWGUBO-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC#CC[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000576056697 335147121 /nfs/dbraw/zinc/14/71/21/335147121.db2.gz SXLKCRVREWGUBO-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000130412118 333841436 /nfs/dbraw/zinc/84/14/36/333841436.db2.gz WLHSRNONRBBGCX-KRWDZBQOSA-N 1 2 290.370 3.469 20 30 CGEDLO C=CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000134716507 334101627 /nfs/dbraw/zinc/10/16/27/334101627.db2.gz FGGLASLAVYCGRC-LBPRGKRZSA-N 1 2 279.347 3.192 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)nc1)CC(C)(C)C#N ZINC000552316861 334316280 /nfs/dbraw/zinc/31/62/80/334316280.db2.gz PNPNUJUYGDJSBB-UHFFFAOYSA-N 1 2 280.375 3.125 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)CC(C)(C)C#N ZINC000552316861 334316282 /nfs/dbraw/zinc/31/62/82/334316282.db2.gz PNPNUJUYGDJSBB-UHFFFAOYSA-N 1 2 280.375 3.125 20 30 CGEDLO C=CCC1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC1 ZINC000553638964 334394008 /nfs/dbraw/zinc/39/40/08/334394008.db2.gz NCEDYEPILIBCIZ-UHFFFAOYSA-N 1 2 296.374 3.011 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000564599293 334513376 /nfs/dbraw/zinc/51/33/76/334513376.db2.gz KFZJHVQJDBYMCR-JTQLQIEISA-N 1 2 261.350 3.185 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(Cl)cs2)c1 ZINC000580686356 335322426 /nfs/dbraw/zinc/32/24/26/335322426.db2.gz XTHHEEBNSXNCLC-UHFFFAOYSA-N 1 2 263.753 3.475 20 30 CGEDLO C=CC1CCN(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000176727934 335328277 /nfs/dbraw/zinc/32/82/77/335328277.db2.gz IMMUMUAPJUSCMD-UHFFFAOYSA-N 1 2 259.353 3.128 20 30 CGEDLO Cc1cc(N2CCC(F)(c3ccccn3)CC2)c(C#N)c[nH+]1 ZINC000577496185 335359459 /nfs/dbraw/zinc/35/94/59/335359459.db2.gz CXJWGPNDQRAXQB-UHFFFAOYSA-N 1 2 296.349 3.122 20 30 CGEDLO CCc1nc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cs1 ZINC000177699455 335379786 /nfs/dbraw/zinc/37/97/86/335379786.db2.gz LYZPWRHIAZLXJD-VIFPVBQESA-N 1 2 277.418 3.489 20 30 CGEDLO CCOc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000155988389 521400452 /nfs/dbraw/zinc/40/04/52/521400452.db2.gz RQUAYDSLFGOQSV-UHFFFAOYSA-N 1 2 292.342 3.217 20 30 CGEDLO N#C[C@H]1CC[C@@H]([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000353624329 534754570 /nfs/dbraw/zinc/75/45/70/534754570.db2.gz DJGLUQIEOVGOTK-WCQYABFASA-N 1 2 250.292 3.060 20 30 CGEDLO CC1=C(c2ccco2)C[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000366971112 528093885 /nfs/dbraw/zinc/09/38/85/528093885.db2.gz WSMQTAZQYIDKOE-CQSZACIVSA-N 1 2 269.348 3.202 20 30 CGEDLO CC1=C(c2ccco2)C[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000366971112 528093889 /nfs/dbraw/zinc/09/38/89/528093889.db2.gz WSMQTAZQYIDKOE-CQSZACIVSA-N 1 2 269.348 3.202 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1csnn1 ZINC000411162730 528134718 /nfs/dbraw/zinc/13/47/18/528134718.db2.gz DGCOXDPEVIQQRZ-GFCCVEGCSA-N 1 2 286.404 3.383 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1csnn1 ZINC000411162730 528134723 /nfs/dbraw/zinc/13/47/23/528134723.db2.gz DGCOXDPEVIQQRZ-GFCCVEGCSA-N 1 2 286.404 3.383 20 30 CGEDLO CC(C)N(C)c1ccc(CNc2ccccc2C#N)c[nH+]1 ZINC000438928403 528844646 /nfs/dbraw/zinc/84/46/46/528844646.db2.gz QTPSZVQTBRHHLA-UHFFFAOYSA-N 1 2 280.375 3.410 20 30 CGEDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)o3)CCO2)cc1 ZINC000191665666 536192719 /nfs/dbraw/zinc/19/27/19/536192719.db2.gz ICICUUZJDWTTCV-SFHVURJKSA-N 1 2 296.370 3.287 20 30 CGEDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CCO2)cc1 ZINC000191665666 536192721 /nfs/dbraw/zinc/19/27/21/536192721.db2.gz ICICUUZJDWTTCV-SFHVURJKSA-N 1 2 296.370 3.287 20 30 CGEDLO COc1cccc(/C=[NH+]/CCc2ccc(C)c(OC)c2)c1O ZINC000741165385 572360702 /nfs/dbraw/zinc/36/07/02/572360702.db2.gz MCJXXJUIRWEIPZ-XDHOZWIPSA-N 1 2 299.370 3.379 20 30 CGEDLO CCCCCCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730833092 572379241 /nfs/dbraw/zinc/37/92/41/572379241.db2.gz YKBRMRIWLYVUQP-UHFFFAOYSA-N 1 2 290.407 3.422 20 30 CGEDLO COc1cccc(/C=[NH+]\[C@@H]2CC[C@@H](SC)C2)c1O ZINC000743042307 572392845 /nfs/dbraw/zinc/39/28/45/572392845.db2.gz ITXCPZRMMNURJQ-OCTNGBJJSA-N 1 2 265.378 3.104 20 30 CGEDLO Cc1cc(Cl)cc2c1OC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000731159511 572398934 /nfs/dbraw/zinc/39/89/34/572398934.db2.gz RZYYHMFYZGBPKM-UITAMQMPSA-N 1 2 274.707 3.030 20 30 CGEDLO CC1(C)[C@H](/[NH+]=C\c2ccccc2O)[C@@H]2CCCO[C@@H]21 ZINC000741463343 572412431 /nfs/dbraw/zinc/41/24/31/572412431.db2.gz DIALJEPWRDFLRU-HUNRTVAJSA-N 1 2 259.349 3.015 20 30 CGEDLO C#CCSCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000739898785 572425652 /nfs/dbraw/zinc/42/56/52/572425652.db2.gz HRCJZJOJEDCJEB-UHFFFAOYSA-N 1 2 272.373 3.022 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@@H](O)C(CC)CC)c(O)c1 ZINC000731937990 572439008 /nfs/dbraw/zinc/43/90/08/572439008.db2.gz QJBKZZKMFCWVDL-FCNRDGCESA-N 1 2 279.380 3.007 20 30 CGEDLO C(=Nn1cnc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000725848923 572441291 /nfs/dbraw/zinc/44/12/91/572441291.db2.gz MGSZPDOHXRSRMY-UHFFFAOYSA-N 1 2 287.326 3.104 20 30 CGEDLO COc1cccc(C[C@@H](C)/[NH+]=C\c2cccc(OC)c2O)c1 ZINC000732925593 572492617 /nfs/dbraw/zinc/49/26/17/572492617.db2.gz AJCBENJJQPFNJL-CQLSMYGBSA-N 1 2 299.370 3.460 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Br)cc1F ZINC000743854907 572690763 /nfs/dbraw/zinc/69/07/63/572690763.db2.gz ROIVSZMFJBZOKO-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1ccc(Br)cc1F ZINC000743854907 572690767 /nfs/dbraw/zinc/69/07/67/572690767.db2.gz ROIVSZMFJBZOKO-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1c(Cl)ccc2cccnc21 ZINC000743852290 572690735 /nfs/dbraw/zinc/69/07/35/572690735.db2.gz KOSBSDALVKRVRN-UHFFFAOYSA-N 1 2 282.774 3.347 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1c(Cl)ccc2cccnc21 ZINC000743852290 572690737 /nfs/dbraw/zinc/69/07/37/572690737.db2.gz KOSBSDALVKRVRN-UHFFFAOYSA-N 1 2 282.774 3.347 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CC1Cc2ccccc2C1 ZINC000735228855 572706851 /nfs/dbraw/zinc/70/68/51/572706851.db2.gz JHIDAQGPMVWQPR-UNOMPAQXSA-N 1 2 281.355 3.235 20 30 CGEDLO COc1cccc(O)c1/C=[NH+]\CCCOC1CCCC1 ZINC000747033733 572905994 /nfs/dbraw/zinc/90/59/94/572905994.db2.gz UOMBGTMYHJIHSF-ATVHPVEESA-N 1 2 277.364 3.169 20 30 CGEDLO N#Cc1csc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000748076628 572959619 /nfs/dbraw/zinc/95/96/19/572959619.db2.gz WNQGJTQFLOMRAI-UHFFFAOYSA-N 1 2 278.340 3.036 20 30 CGEDLO O=C1c2c(c(F)ccc2F)C/C1=C/c1c[nH+]c2ccccn12 ZINC000749588917 573021515 /nfs/dbraw/zinc/02/15/15/573021515.db2.gz GNDNZXCEKCQXKB-YFHOEESVSA-N 1 2 296.276 3.435 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749943084 573063827 /nfs/dbraw/zinc/06/38/27/573063827.db2.gz XMVPNSRFXSUEDZ-ROUUACIJSA-N 1 2 298.430 3.423 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749943084 573063835 /nfs/dbraw/zinc/06/38/35/573063835.db2.gz XMVPNSRFXSUEDZ-ROUUACIJSA-N 1 2 298.430 3.423 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972774732 613379670 /nfs/dbraw/zinc/37/96/70/613379670.db2.gz QLFLNFMEAXLEBX-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972774732 613379671 /nfs/dbraw/zinc/37/96/71/613379671.db2.gz QLFLNFMEAXLEBX-CQSZACIVSA-N 1 2 298.858 3.146 20 30 CGEDLO C=CC[NH+]1CC(N(CC)C(=O)c2cccc(C(C)C)c2)C1 ZINC000957094597 613657797 /nfs/dbraw/zinc/65/77/97/613657797.db2.gz KNZPBBSZBPBYHT-UHFFFAOYSA-N 1 2 286.419 3.142 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(F)cc1 ZINC000255169330 618030285 /nfs/dbraw/zinc/03/02/85/618030285.db2.gz QKBFSTUKFVBUEN-HJWRWDBZSA-N 1 2 266.275 3.370 20 30 CGEDLO O=C1c2cc(F)ccc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000255385978 618246115 /nfs/dbraw/zinc/24/61/15/618246115.db2.gz BOLAWJIQKLFNOU-WQLSENKSSA-N 1 2 278.286 3.296 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cn(CC)nc1C ZINC000891937353 618394784 /nfs/dbraw/zinc/39/47/84/618394784.db2.gz HVBFKFDWCZTHAW-UHFFFAOYSA-N 1 2 276.428 3.363 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cn(CC)nc1C ZINC000891937353 618394790 /nfs/dbraw/zinc/39/47/90/618394790.db2.gz HVBFKFDWCZTHAW-UHFFFAOYSA-N 1 2 276.428 3.363 20 30 CGEDLO C=C(Br)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000308977946 618591659 /nfs/dbraw/zinc/59/16/59/618591659.db2.gz HETPBDOOBFQRHA-UHFFFAOYSA-N 1 2 289.242 3.439 20 30 CGEDLO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1O ZINC000926531114 618726916 /nfs/dbraw/zinc/72/69/16/618726916.db2.gz GDRLDDGFTVPUJO-TUKIKUTGSA-N 1 2 296.374 3.207 20 30 CGEDLO CC(C)c1csc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000893153966 619006937 /nfs/dbraw/zinc/00/69/37/619006937.db2.gz ZJJNACFNWZKZGQ-UHFFFAOYSA-N 1 2 270.401 3.408 20 30 CGEDLO C(#Cc1ccccc1)C[NH2+]Cc1nc(C2CC2)cs1 ZINC000893172921 619016997 /nfs/dbraw/zinc/01/69/97/619016997.db2.gz XXFLZUSJBNABNT-UHFFFAOYSA-N 1 2 268.385 3.162 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](CCC(C)C)C2CC2)c1=S ZINC000075582166 619174174 /nfs/dbraw/zinc/17/41/74/619174174.db2.gz KYABNRDHCZSDCF-UHFFFAOYSA-N 1 2 294.468 3.377 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](CCC(C)C)C2CC2)c1=S ZINC000075582166 619174176 /nfs/dbraw/zinc/17/41/76/619174176.db2.gz KYABNRDHCZSDCF-UHFFFAOYSA-N 1 2 294.468 3.377 20 30 CGEDLO Cc1cccc(C[NH2+]CC(C)(C)C#N)c1Br ZINC000893550599 619221226 /nfs/dbraw/zinc/22/12/26/619221226.db2.gz FVYJTSLRVVGTEI-UHFFFAOYSA-N 1 2 281.197 3.397 20 30 CGEDLO CC[C@@H]([NH2+]CC1CCSCC1)c1cccc(C#N)c1O ZINC000925050978 619511195 /nfs/dbraw/zinc/51/11/95/619511195.db2.gz HBYQDXSOTKVPLD-OAHLLOKOSA-N 1 2 290.432 3.448 20 30 CGEDLO N#CC1(c2ccc(C[NH+]3CC(C(F)(F)F)C3)cc2)CC1 ZINC000894890582 619669615 /nfs/dbraw/zinc/66/96/15/619669615.db2.gz KFBFJRYSVOUADO-UHFFFAOYSA-N 1 2 280.293 3.236 20 30 CGEDLO C[C@H](N=NC1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000793113456 619679075 /nfs/dbraw/zinc/67/90/75/619679075.db2.gz AIUYOEPSFPOVCD-ZDUSSCGKSA-N 1 2 274.412 3.062 20 30 CGEDLO Cc1c(Cl)ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1Cl ZINC000895105669 619731976 /nfs/dbraw/zinc/73/19/76/619731976.db2.gz BPYOVSNRPPNSLW-AWEZNQCLSA-N 1 2 299.201 3.152 20 30 CGEDLO Cc1c(Cl)ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1Cl ZINC000895105669 619731977 /nfs/dbraw/zinc/73/19/77/619731977.db2.gz BPYOVSNRPPNSLW-AWEZNQCLSA-N 1 2 299.201 3.152 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CC2(CCCC2)O1 ZINC000895126720 619742609 /nfs/dbraw/zinc/74/26/09/619742609.db2.gz ZQBJZXGBALTRFU-GFCCVEGCSA-N 1 2 276.405 3.153 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CC2(CCCC2)O1 ZINC000895126720 619742612 /nfs/dbraw/zinc/74/26/12/619742612.db2.gz ZQBJZXGBALTRFU-GFCCVEGCSA-N 1 2 276.405 3.153 20 30 CGEDLO Cc1[nH]c([C@H]2CCCN2c2cccc(F)c2C#N)[nH+]c1C ZINC000895193697 619776367 /nfs/dbraw/zinc/77/63/67/619776367.db2.gz RHJMIVJYQCUGDU-OAHLLOKOSA-N 1 2 284.338 3.379 20 30 CGEDLO C#CC[N@@H+](Cc1oc(C)nc1C)Cc1ccc(F)cc1 ZINC000788013880 619795810 /nfs/dbraw/zinc/79/58/10/619795810.db2.gz UJNHOIVOGGOIOA-UHFFFAOYSA-N 1 2 272.323 3.066 20 30 CGEDLO C#CC[N@H+](Cc1oc(C)nc1C)Cc1ccc(F)cc1 ZINC000788013880 619795811 /nfs/dbraw/zinc/79/58/11/619795811.db2.gz UJNHOIVOGGOIOA-UHFFFAOYSA-N 1 2 272.323 3.066 20 30 CGEDLO CCCc1cc(N2CCO[C@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000896857052 620078148 /nfs/dbraw/zinc/07/81/48/620078148.db2.gz MVSRWMLAHWFXRO-GOSISDBHSA-N 1 2 295.386 3.306 20 30 CGEDLO C=C[C@H](CC(=O)NCc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000896915576 620098579 /nfs/dbraw/zinc/09/85/79/620098579.db2.gz ICEUXPOWTOEPFR-CQSZACIVSA-N 1 2 283.375 3.003 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cn1 ZINC000796639991 620119441 /nfs/dbraw/zinc/11/94/41/620119441.db2.gz SCTWIIJWPSJGGS-UHFFFAOYSA-N 1 2 270.763 3.370 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cn1 ZINC000796639991 620119443 /nfs/dbraw/zinc/11/94/43/620119443.db2.gz SCTWIIJWPSJGGS-UHFFFAOYSA-N 1 2 270.763 3.370 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc2nccn21 ZINC000179881375 620281624 /nfs/dbraw/zinc/28/16/24/620281624.db2.gz SBMPBBZXSDRBTQ-UHFFFAOYSA-N 1 2 293.345 3.109 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc2nccn21 ZINC000179881375 620281625 /nfs/dbraw/zinc/28/16/25/620281625.db2.gz SBMPBBZXSDRBTQ-UHFFFAOYSA-N 1 2 293.345 3.109 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\CC1CC2(C1)OCCO2 ZINC000899227528 620626991 /nfs/dbraw/zinc/62/69/91/620626991.db2.gz MYNCOHDEWOPZKY-UNOMPAQXSA-N 1 2 297.354 3.117 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000899227998 620627343 /nfs/dbraw/zinc/62/73/43/620627343.db2.gz WPFHDIKSPPXLFX-HIXWQLQUSA-N 1 2 289.375 3.312 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc2c(c1)OCO2 ZINC000901418226 620881357 /nfs/dbraw/zinc/88/13/57/620881357.db2.gz ZRWOTXUHIGLNOA-SNAWJCMRSA-N 1 2 284.315 3.089 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\COc2ccccc2C1=O ZINC000901417922 620881625 /nfs/dbraw/zinc/88/16/25/620881625.db2.gz QFLOZVNWKFDUBQ-KPKJPENVSA-N 1 2 268.316 3.123 20 30 CGEDLO CCCc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901437746 620887774 /nfs/dbraw/zinc/88/77/74/620887774.db2.gz CXGJIONCKRUQFI-MDZDMXLPSA-N 1 2 254.333 3.269 20 30 CGEDLO CCN(C)c1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000901480095 620892477 /nfs/dbraw/zinc/89/24/77/620892477.db2.gz HOQLZVBOHYELOC-ZHACJKMWSA-N 1 2 283.375 3.379 20 30 CGEDLO Cc1[nH]c(/C=C2/Oc3cc(C)c(C)cc3C2=O)[nH+]c1C ZINC000901481889 620892946 /nfs/dbraw/zinc/89/29/46/620892946.db2.gz GIVWTMSEZPBDEH-VGOFMYFVSA-N 1 2 268.316 3.260 20 30 CGEDLO Cc1[nH]c(/C=C2\COc3cc(C)cc(C)c3C2=O)[nH+]c1C ZINC000901459924 620894473 /nfs/dbraw/zinc/89/44/73/620894473.db2.gz ZIQLCFYTBWTHOE-NTUHNPAUSA-N 1 2 282.343 3.302 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/COc2cc(C)cc(C)c2C1=O ZINC000901459914 620894687 /nfs/dbraw/zinc/89/46/87/620894687.db2.gz YDFZJHHUQQPIRB-QPEQYQDCSA-N 1 2 282.343 3.179 20 30 CGEDLO Cc1[nH]c(/C=C2/COc3cc(C)cc(C)c3C2=O)[nH+]c1C ZINC000901459925 620894836 /nfs/dbraw/zinc/89/48/36/620894836.db2.gz ZIQLCFYTBWTHOE-QPEQYQDCSA-N 1 2 282.343 3.302 20 30 CGEDLO Cc1[nH]c(/C=C2\CCc3sccc3C2=O)[nH+]c1C ZINC000901467028 620896116 /nfs/dbraw/zinc/89/61/16/620896116.db2.gz FGAFAQNEGUNKMW-JXMROGBWSA-N 1 2 258.346 3.301 20 30 CGEDLO Cc1[nH]c(/C=C2\C(=O)c3ccccc3[C@H]2C)[nH+]c1C ZINC000901505773 620904750 /nfs/dbraw/zinc/90/47/50/620904750.db2.gz GQPNVHYIGATKOB-ZJTXEKFPSA-N 1 2 252.317 3.410 20 30 CGEDLO CC(C)c1nc(C(=O)/C=C/c2c[nH+]cn2C(C)C)co1 ZINC000901509204 620907185 /nfs/dbraw/zinc/90/71/85/620907185.db2.gz UZSVLFTWLSACOG-AATRIKPKSA-N 1 2 273.336 3.472 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)cc(O)c1O ZINC000901522680 620912348 /nfs/dbraw/zinc/91/23/48/620912348.db2.gz MUIXWJJBNUMGBT-PLNGDYQASA-N 1 2 286.331 3.080 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCCc2cc(C#N)ccc2C1=O ZINC000901527922 620914630 /nfs/dbraw/zinc/91/46/30/620914630.db2.gz WHPVDUBYXNBHIE-DHDCSXOGSA-N 1 2 291.354 3.377 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CCC1 ZINC000903033451 621536250 /nfs/dbraw/zinc/53/62/50/621536250.db2.gz UPNINUWMUONBFW-LLVKDONJSA-N 1 2 261.756 3.006 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(F)(F)F)cn1 ZINC000903035666 621537182 /nfs/dbraw/zinc/53/71/82/621537182.db2.gz SEUCWZRFUVNGGT-SNVBAGLBSA-N 1 2 283.297 3.445 20 30 CGEDLO N#CC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCC1 ZINC000903035976 621537615 /nfs/dbraw/zinc/53/76/15/621537615.db2.gz YGLYWTYRJRACBY-CQSZACIVSA-N 1 2 272.396 3.315 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1csnn1)c1cccc(C#N)c1 ZINC000903023799 621543210 /nfs/dbraw/zinc/54/32/10/621543210.db2.gz IVTWSHVZYDLOIR-ZWNOBZJWSA-N 1 2 272.377 3.212 20 30 CGEDLO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903262615 621647669 /nfs/dbraw/zinc/64/76/69/621647669.db2.gz FNBFNWPWAKNJGZ-CQSZACIVSA-N 1 2 299.399 3.327 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992986828 623778615 /nfs/dbraw/zinc/77/86/15/623778615.db2.gz HDMGFHFZCKULMQ-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992986828 623778625 /nfs/dbraw/zinc/77/86/25/623778625.db2.gz HDMGFHFZCKULMQ-HIFRSBDPSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993328132 624025871 /nfs/dbraw/zinc/02/58/71/624025871.db2.gz MMWWAMGSLUNOQX-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993328132 624025874 /nfs/dbraw/zinc/02/58/74/624025874.db2.gz MMWWAMGSLUNOQX-GXTWGEPZSA-N 1 2 298.858 3.144 20 30 CGEDLO C(=[NH+]Nc1ccccc1)c1ccc(N2CCOCC2)s1 ZINC000916245878 624129796 /nfs/dbraw/zinc/12/97/96/624129796.db2.gz IBLKPSMETKTBMN-UHFFFAOYSA-N 1 2 287.388 3.031 20 30 CGEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1ccc(N)cc1 ZINC000920375358 624484390 /nfs/dbraw/zinc/48/43/90/624484390.db2.gz WCFVGYPASOAPAR-UHFFFAOYSA-N 1 2 261.275 3.383 20 30 CGEDLO C=CC[N@@H+](Cc1nc(CCC(C)C)no1)C(C)C ZINC000920781383 624535599 /nfs/dbraw/zinc/53/55/99/624535599.db2.gz OVMGBCGMHWKASG-UHFFFAOYSA-N 1 2 251.374 3.055 20 30 CGEDLO C=CC[N@H+](Cc1nc(CCC(C)C)no1)C(C)C ZINC000920781383 624535606 /nfs/dbraw/zinc/53/56/06/624535606.db2.gz OVMGBCGMHWKASG-UHFFFAOYSA-N 1 2 251.374 3.055 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835268501 634421369 /nfs/dbraw/zinc/42/13/69/634421369.db2.gz RWPZRRYUFNCRCZ-CQSZACIVSA-N 1 2 284.359 3.443 20 30 CGEDLO C=CCn1ncc2ccc(NCc3c[nH+]cn3CC)cc21 ZINC000922900892 626099886 /nfs/dbraw/zinc/09/98/86/626099886.db2.gz LEXLLXVTPMXSLZ-UHFFFAOYSA-N 1 2 281.363 3.051 20 30 CGEDLO C=CCCC[C@@H](C)OC(=O)c1ccc(N)c(-n2cc[nH+]c2)c1 ZINC000838098150 626191090 /nfs/dbraw/zinc/19/10/90/626191090.db2.gz VQPHURXGQZYILU-CYBMUJFWSA-N 1 2 299.374 3.356 20 30 CGEDLO C=CCC1(C(=O)OCCc2c[nH+]cn2C)CCCCC1 ZINC000838153906 626194823 /nfs/dbraw/zinc/19/48/23/626194823.db2.gz OEEWEJQILPOHPL-UHFFFAOYSA-N 1 2 276.380 3.032 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+](CCC#N)CC(C)C ZINC000755669155 626635384 /nfs/dbraw/zinc/63/53/84/626635384.db2.gz HMBVSDBGZDOLEP-UHFFFAOYSA-N 1 2 282.391 3.310 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+](CCC#N)CC(C)C ZINC000755669155 626635388 /nfs/dbraw/zinc/63/53/88/626635388.db2.gz HMBVSDBGZDOLEP-UHFFFAOYSA-N 1 2 282.391 3.310 20 30 CGEDLO CC(=[NH+]NC(=S)Nc1ccccc1)c1ccc(N)cc1C ZINC000758090552 626826193 /nfs/dbraw/zinc/82/61/93/626826193.db2.gz JBNHEQDTWSSCTM-UHFFFAOYSA-N 1 2 298.415 3.288 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851948 626926704 /nfs/dbraw/zinc/92/67/04/626926704.db2.gz WZBKCDCPKLJGCV-ZUZCIYMTSA-N 1 2 296.773 3.137 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759851948 626926710 /nfs/dbraw/zinc/92/67/10/626926710.db2.gz WZBKCDCPKLJGCV-ZUZCIYMTSA-N 1 2 296.773 3.137 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1cc(F)cc(C(F)(F)F)c1 ZINC000790306238 627053760 /nfs/dbraw/zinc/05/37/60/627053760.db2.gz UAPOFISCBFLTMM-UHFFFAOYSA-N 1 2 286.232 3.024 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C)c(C)c2)cc1 ZINC000762204902 627100725 /nfs/dbraw/zinc/10/07/25/627100725.db2.gz ANKOOCPYEXWVJE-UHFFFAOYSA-N 1 2 284.359 3.149 20 30 CGEDLO CN(C)c1cc(CSc2ccccc2C#N)cc[nH+]1 ZINC000762479815 627112543 /nfs/dbraw/zinc/11/25/43/627112543.db2.gz MSEVLMYNPXORGK-UHFFFAOYSA-N 1 2 269.373 3.312 20 30 CGEDLO C#CCCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000766297341 627315109 /nfs/dbraw/zinc/31/51/09/627315109.db2.gz YXYVGFSINXXHRP-UHFFFAOYSA-N 1 2 255.317 3.344 20 30 CGEDLO CCc1cnccc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000766771297 627359266 /nfs/dbraw/zinc/35/92/66/627359266.db2.gz BFLFGMFEBSFSFN-SREVYHEPSA-N 1 2 291.354 3.496 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000767691119 627429219 /nfs/dbraw/zinc/42/92/19/627429219.db2.gz RZAYSOUTLGNIDW-XJZNPOMYSA-N 1 2 263.340 3.397 20 30 CGEDLO C#CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000769146186 627526207 /nfs/dbraw/zinc/52/62/07/627526207.db2.gz OJLTUEKKZQGEPY-UHFFFAOYSA-N 1 2 288.347 3.068 20 30 CGEDLO C#CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000769146186 627526209 /nfs/dbraw/zinc/52/62/09/627526209.db2.gz OJLTUEKKZQGEPY-UHFFFAOYSA-N 1 2 288.347 3.068 20 30 CGEDLO C[C@H](NN=Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000771101177 627683243 /nfs/dbraw/zinc/68/32/43/627683243.db2.gz QREZVRHKFVASKT-ZDUSSCGKSA-N 1 2 264.332 3.019 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCCc2ccccn2)c(O)c1 ZINC000771836151 627734949 /nfs/dbraw/zinc/73/49/49/627734949.db2.gz KRMUGYWFPJKQGG-AQTBWJFISA-N 1 2 284.359 3.238 20 30 CGEDLO CCC[C@H](C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000775701377 628127429 /nfs/dbraw/zinc/12/74/29/628127429.db2.gz LILFRLABHSGWDS-IEBWSBKVSA-N 1 2 297.446 3.242 20 30 CGEDLO CCC[C@H](C[N@H+]1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000775701377 628127433 /nfs/dbraw/zinc/12/74/33/628127433.db2.gz LILFRLABHSGWDS-IEBWSBKVSA-N 1 2 297.446 3.242 20 30 CGEDLO COC(=O)c1ccccc1N[NH+]=C(C)c1ccc(N)cc1C ZINC000776187322 628177640 /nfs/dbraw/zinc/17/76/40/628177640.db2.gz NOMUOUIABCUOCX-UHFFFAOYSA-N 1 2 297.358 3.200 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC[C@H]2CCCCO2)c(O)c1 ZINC000779707688 628421424 /nfs/dbraw/zinc/42/14/24/628421424.db2.gz PVJSMJCLLOTZNY-RFRKOGIWSA-N 1 2 277.364 3.169 20 30 CGEDLO C#CCCCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000779851539 628437964 /nfs/dbraw/zinc/43/79/64/628437964.db2.gz SWMBIGXYDHSYRF-UHFFFAOYSA-N 1 2 281.359 3.395 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2F)nc1 ZINC000780554387 628498789 /nfs/dbraw/zinc/49/87/89/628498789.db2.gz JVMJZAGIVXHZTJ-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO N#CCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000781926696 628605420 /nfs/dbraw/zinc/60/54/20/628605420.db2.gz JSDPQMXQHZVRAH-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO CC1(C)CCC[C@@H]1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000782285735 628633518 /nfs/dbraw/zinc/63/35/18/628633518.db2.gz CWUWZNKKOUPYHH-AWEZNQCLSA-N 1 2 288.420 3.436 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCO[C@@H](C)C2)c1 ZINC000783686017 628739614 /nfs/dbraw/zinc/73/96/14/628739614.db2.gz UQVZZTKSSUDSCR-YKJWAUKPSA-N 1 2 291.391 3.415 20 30 CGEDLO COc1cccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783816377 628748599 /nfs/dbraw/zinc/74/85/99/628748599.db2.gz ORCXZKPWNCELRM-UHFFFAOYSA-N 1 2 298.371 3.388 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1cc(F)ccc1Br ZINC000787998815 629037774 /nfs/dbraw/zinc/03/77/74/629037774.db2.gz JQJZEHDJOJMTGI-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(F)ccc1Br ZINC000787998815 629037783 /nfs/dbraw/zinc/03/77/83/629037783.db2.gz JQJZEHDJOJMTGI-UHFFFAOYSA-N 1 2 284.172 3.432 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC2CC(OCC)C2)c(O)c1 ZINC000788674030 629072129 /nfs/dbraw/zinc/07/21/29/629072129.db2.gz BHSZGHFZWCHNNF-PDGQHHTCSA-N 1 2 291.391 3.415 20 30 CGEDLO COc1c(Cl)cc(Cl)cc1C=NNc1[nH+]ccn1C ZINC000790306262 629203186 /nfs/dbraw/zinc/20/31/86/629203186.db2.gz VAPHYLHQKSPKQT-UHFFFAOYSA-N 1 2 299.161 3.182 20 30 CGEDLO CC[C@@H](C)CON=C1CCN(c2cccc[nH+]2)CC1 ZINC000793159711 629419094 /nfs/dbraw/zinc/41/90/94/629419094.db2.gz QRXPCBIMVXCENO-CYBMUJFWSA-N 1 2 261.369 3.101 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccccc1 ZINC000796639908 629809048 /nfs/dbraw/zinc/80/90/48/629809048.db2.gz PLBBOFGKZWIPPY-UHFFFAOYSA-N 1 2 297.354 3.010 20 30 CGEDLO C#CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)Cc1ccccc1 ZINC000796639908 629809049 /nfs/dbraw/zinc/80/90/49/629809049.db2.gz PLBBOFGKZWIPPY-UHFFFAOYSA-N 1 2 297.354 3.010 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000796641704 629809886 /nfs/dbraw/zinc/80/98/86/629809886.db2.gz YVLUKPUSKJZOFG-UHFFFAOYSA-N 1 2 290.366 3.202 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000796641704 629809887 /nfs/dbraw/zinc/80/98/87/629809887.db2.gz YVLUKPUSKJZOFG-UHFFFAOYSA-N 1 2 290.366 3.202 20 30 CGEDLO N#CCCCCNc1cc(NCc2ccccc2)nc[nH+]1 ZINC000865510222 630161809 /nfs/dbraw/zinc/16/18/09/630161809.db2.gz RLCDSRIOXFIHQI-UHFFFAOYSA-N 1 2 281.363 3.194 20 30 CGEDLO N#CCCCCNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865510222 630161814 /nfs/dbraw/zinc/16/18/14/630161814.db2.gz RLCDSRIOXFIHQI-UHFFFAOYSA-N 1 2 281.363 3.194 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CCCCC1 ZINC000865631326 630236469 /nfs/dbraw/zinc/23/64/69/630236469.db2.gz YQINTFUMVKLFLM-UHFFFAOYSA-N 1 2 285.347 3.097 20 30 CGEDLO C#CC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589532 630345907 /nfs/dbraw/zinc/34/59/07/630345907.db2.gz RFMFLZSDAIETDC-ZDUSSCGKSA-N 1 2 271.257 3.209 20 30 CGEDLO C#CC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000801589532 630345910 /nfs/dbraw/zinc/34/59/10/630345910.db2.gz RFMFLZSDAIETDC-ZDUSSCGKSA-N 1 2 271.257 3.209 20 30 CGEDLO CCCCCCCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000806547319 630565227 /nfs/dbraw/zinc/56/52/27/630565227.db2.gz ZCBHRAFBNUYUMX-UHFFFAOYSA-N 1 2 279.428 3.172 20 30 CGEDLO C#CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1 ZINC000809716118 630789669 /nfs/dbraw/zinc/78/96/69/630789669.db2.gz KEKTYXIAJFYBRM-UHFFFAOYSA-N 1 2 295.430 3.353 20 30 CGEDLO C#CC[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1ccccc1 ZINC000809716118 630789676 /nfs/dbraw/zinc/78/96/76/630789676.db2.gz KEKTYXIAJFYBRM-UHFFFAOYSA-N 1 2 295.430 3.353 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)(C)C ZINC000809781817 630806057 /nfs/dbraw/zinc/80/60/57/630806057.db2.gz BNYHSFIOFVFIDT-GFCCVEGCSA-N 1 2 269.747 3.322 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](CC)C2CC(C)(C)C2)c1=S ZINC000840185091 630811684 /nfs/dbraw/zinc/81/16/84/630811684.db2.gz WZUBYBFBPSTFRU-UHFFFAOYSA-N 1 2 294.468 3.377 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](CC)C2CC(C)(C)C2)c1=S ZINC000840185091 630811686 /nfs/dbraw/zinc/81/16/86/630811686.db2.gz WZUBYBFBPSTFRU-UHFFFAOYSA-N 1 2 294.468 3.377 20 30 CGEDLO CC(C)C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccn1 ZINC000810148605 630846960 /nfs/dbraw/zinc/84/69/60/630846960.db2.gz KDSZEMPXZIEYOC-CQSZACIVSA-N 1 2 286.404 3.287 20 30 CGEDLO C=CCC[C@H](C)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810651747 630917239 /nfs/dbraw/zinc/91/72/39/630917239.db2.gz RKURCJUUAZHTMZ-HNNXBMFYSA-N 1 2 298.386 3.372 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000814175815 631538839 /nfs/dbraw/zinc/53/88/39/631538839.db2.gz MEIRMWNLFPALGX-CQSZACIVSA-N 1 2 297.320 3.210 20 30 CGEDLO C#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000814175815 631538845 /nfs/dbraw/zinc/53/88/45/631538845.db2.gz MEIRMWNLFPALGX-CQSZACIVSA-N 1 2 297.320 3.210 20 30 CGEDLO CCOc1cccc(/C=N/Cc2cc(C)[nH+]c(C)c2)c1O ZINC000817707846 632202478 /nfs/dbraw/zinc/20/24/78/632202478.db2.gz PGWCEBSWNQZLEQ-WOJGMQOQSA-N 1 2 284.359 3.422 20 30 CGEDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(C#N)c1O ZINC000866259917 633049335 /nfs/dbraw/zinc/04/93/35/633049335.db2.gz IEJPUZOQBUEVGD-BZNIZROVSA-N 1 2 294.354 3.308 20 30 CGEDLO C[C@@H]([NH2+]CCCc1nccs1)c1cccc(C#N)c1O ZINC000866299701 633069540 /nfs/dbraw/zinc/06/95/40/633069540.db2.gz OMNLACKFFUYJKK-LLVKDONJSA-N 1 2 287.388 3.004 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(C#N)c1O ZINC000866360734 633100447 /nfs/dbraw/zinc/10/04/47/633100447.db2.gz YQVXWEFEEKGNBC-DCGLDWPTSA-N 1 2 296.370 3.037 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000866367109 633104801 /nfs/dbraw/zinc/10/48/01/633104801.db2.gz FVYVQTBIMWLLEQ-PWSUYJOCSA-N 1 2 280.318 3.350 20 30 CGEDLO CCSC1(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866394042 633120155 /nfs/dbraw/zinc/12/01/55/633120155.db2.gz SIZRMMWAODDWGZ-NSHDSACASA-N 1 2 276.405 3.200 20 30 CGEDLO C=CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000826074807 633402861 /nfs/dbraw/zinc/40/28/61/633402861.db2.gz JCMGYIBBKYPMJO-INIZCTEOSA-N 1 2 297.402 3.355 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C(F)F ZINC000834828358 634248947 /nfs/dbraw/zinc/24/89/47/634248947.db2.gz RWVKMCUJXBVWPH-ZWNOBZJWSA-N 1 2 268.307 3.283 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC2(COC)CCC2)c1O ZINC000840704514 635037314 /nfs/dbraw/zinc/03/73/14/635037314.db2.gz BFYUSIAEOGDECO-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC[C@@H]2CCOC2)c1 ZINC000840711650 635039749 /nfs/dbraw/zinc/03/97/49/635039749.db2.gz YILLXILVAJFQDL-VVBXCHJUSA-N 1 2 277.364 3.027 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC(C)(C)C(C)(C)O)c1 ZINC000840711655 635039857 /nfs/dbraw/zinc/03/98/57/635039857.db2.gz YIXDGSQUEANLIX-LICLKQGHSA-N 1 2 279.380 3.007 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C(=O)OC ZINC000877689712 635137588 /nfs/dbraw/zinc/13/75/88/635137588.db2.gz JGEBRTYZOWNBCR-VXGBXAGGSA-N 1 2 273.442 3.004 20 30 CGEDLO CC([NH2+]Nc1oc(C(C)C)nc1C#N)=C1CC1(F)F ZINC000841622620 635199068 /nfs/dbraw/zinc/19/90/68/635199068.db2.gz ZFKGMSLQTNTNLK-QMMMGPOBSA-N 1 2 268.267 3.113 20 30 CGEDLO NC(=[NH+]OC[C@H]1CCCCC1(F)F)c1ccc(F)cc1 ZINC000842019441 635256365 /nfs/dbraw/zinc/25/63/65/635256365.db2.gz OJDMINAIOHCZOM-LLVKDONJSA-N 1 2 286.297 3.288 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc2c(o1)CCCC2)c1cccc(C#N)c1 ZINC000878361125 635474403 /nfs/dbraw/zinc/47/44/03/635474403.db2.gz MOMRZAMFULIPMK-GFCCVEGCSA-N 1 2 281.359 3.276 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1[N+](=O)[O-] ZINC000879310974 635752005 /nfs/dbraw/zinc/75/20/05/635752005.db2.gz ZZJADKKHZCNNBH-KGLIPLIRSA-N 1 2 273.336 3.027 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1[N+](=O)[O-] ZINC000879310974 635752010 /nfs/dbraw/zinc/75/20/10/635752010.db2.gz ZZJADKKHZCNNBH-KGLIPLIRSA-N 1 2 273.336 3.027 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000847019197 636312937 /nfs/dbraw/zinc/31/29/37/636312937.db2.gz PFIXTRSOZXULIF-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000847019197 636312939 /nfs/dbraw/zinc/31/29/39/636312939.db2.gz PFIXTRSOZXULIF-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO CC(C)[C@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416912 636571739 /nfs/dbraw/zinc/57/17/39/636571739.db2.gz CTISHUPFWCIWBS-AWEZNQCLSA-N 1 2 262.401 3.065 20 30 CGEDLO C=CCn1cc(C[NH2+][C@H](CC)c2sccc2Cl)nn1 ZINC000883230900 636601258 /nfs/dbraw/zinc/60/12/58/636601258.db2.gz UAFFIMKVQSHYCD-GFCCVEGCSA-N 1 2 296.827 3.420 20 30 CGEDLO C=CCCCCC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000848558983 636605263 /nfs/dbraw/zinc/60/52/63/636605263.db2.gz WTIRAPZBJFLHAO-ZIAGYGMSSA-N 1 2 292.427 3.271 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000848923435 636693889 /nfs/dbraw/zinc/69/38/89/636693889.db2.gz DXTLKRPXHUIARY-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000848923435 636693895 /nfs/dbraw/zinc/69/38/95/636693895.db2.gz DXTLKRPXHUIARY-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#CC[C@H]1CC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000886363033 637514343 /nfs/dbraw/zinc/51/43/43/637514343.db2.gz YDRZCUMGQGBRDN-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO C#CC[C@H]1CC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000886363033 637514348 /nfs/dbraw/zinc/51/43/48/637514348.db2.gz YDRZCUMGQGBRDN-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO C=CC1CC[NH+](Cn2nc(C)c(Br)c2C)CC1 ZINC000111166042 637781966 /nfs/dbraw/zinc/78/19/66/637781966.db2.gz TVQIRFCSGUNDKW-UHFFFAOYSA-N 1 2 298.228 3.118 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCc1ncccc1C ZINC000853662411 637885841 /nfs/dbraw/zinc/88/58/41/637885841.db2.gz JPAHUAFGFHKSNO-UHFFFAOYSA-N 1 2 295.386 3.232 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@@H](CC)C1 ZINC000853698638 637895785 /nfs/dbraw/zinc/89/57/85/637895785.db2.gz ZMFRUFGUAZXZGE-GJZGRUSLSA-N 1 2 288.391 3.243 20 30 CGEDLO CC[C@H]([NH2+]CCC(F)(F)F)c1cccc(C#N)c1O ZINC000925238492 638482565 /nfs/dbraw/zinc/48/25/65/638482565.db2.gz XHAQPSNLMWFDQM-NSHDSACASA-N 1 2 272.270 3.257 20 30 CGEDLO CC[C@H]([NH2+]CC1(CCOC)CC1)c1cccc(C#N)c1O ZINC000925569122 638533446 /nfs/dbraw/zinc/53/34/46/638533446.db2.gz QWVKOJBSCKSSRZ-HNNXBMFYSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ncccc1F)c1cccc(C#N)c1O ZINC000925599307 638541425 /nfs/dbraw/zinc/54/14/25/638541425.db2.gz RMQAHOZWPDTDCK-CQSZACIVSA-N 1 2 285.322 3.039 20 30 CGEDLO CCCCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991042 638615737 /nfs/dbraw/zinc/61/57/37/638615737.db2.gz ZAQIOVDGMHSNKE-CYBMUJFWSA-N 1 2 263.385 3.195 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000858378148 638697522 /nfs/dbraw/zinc/69/75/22/638697522.db2.gz GMEMWVMFHYJBQH-CQSZACIVSA-N 1 2 298.411 3.322 20 30 CGEDLO CC[C@H]([NH2+]C1CC(F)(F)C1)c1cccc(C#N)c1O ZINC000926284537 638759240 /nfs/dbraw/zinc/75/92/40/638759240.db2.gz WKDZGMGZRAQQPM-LBPRGKRZSA-N 1 2 266.291 3.102 20 30 CGEDLO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cccc(C#N)c1O ZINC000926642029 638793686 /nfs/dbraw/zinc/79/36/86/638793686.db2.gz JVFAPXDILGKTBN-SWHYSGLUSA-N 1 2 276.405 3.199 20 30 CGEDLO C=CC(C)(C)CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927106358 638842730 /nfs/dbraw/zinc/84/27/30/638842730.db2.gz YOGCDTOESFRJPR-UHFFFAOYSA-N 1 2 287.407 3.087 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000930087183 638973293 /nfs/dbraw/zinc/97/32/93/638973293.db2.gz KTFJUJRFPMEKMA-LLVKDONJSA-N 1 2 273.767 3.336 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000930087183 638973295 /nfs/dbraw/zinc/97/32/95/638973295.db2.gz KTFJUJRFPMEKMA-LLVKDONJSA-N 1 2 273.767 3.336 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(OC)s1)c1ccccc1 ZINC000930230814 638984962 /nfs/dbraw/zinc/98/49/62/638984962.db2.gz YECKSIJFRMQBIN-ZDUSSCGKSA-N 1 2 289.404 3.344 20 30 CGEDLO Cc1nnsc1[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000931333360 639136845 /nfs/dbraw/zinc/13/68/45/639136845.db2.gz TWLHFZKOIZEJJW-LBPRGKRZSA-N 1 2 298.415 3.032 20 30 CGEDLO Cc1nnsc1[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931333360 639136847 /nfs/dbraw/zinc/13/68/47/639136847.db2.gz TWLHFZKOIZEJJW-LBPRGKRZSA-N 1 2 298.415 3.032 20 30 CGEDLO CO[C@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154777 639278716 /nfs/dbraw/zinc/27/87/16/639278716.db2.gz MWHURVWTBPXZSG-SWLSCSKDSA-N 1 2 278.783 3.263 20 30 CGEDLO CO[C@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000932154777 639278723 /nfs/dbraw/zinc/27/87/23/639278723.db2.gz MWHURVWTBPXZSG-SWLSCSKDSA-N 1 2 278.783 3.263 20 30 CGEDLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932158277 639279932 /nfs/dbraw/zinc/27/99/32/639279932.db2.gz CCQQRLYLXHVULC-OAHLLOKOSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932158277 639279936 /nfs/dbraw/zinc/27/99/36/639279936.db2.gz CCQQRLYLXHVULC-OAHLLOKOSA-N 1 2 258.365 3.209 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626712 639470462 /nfs/dbraw/zinc/47/04/62/639470462.db2.gz FIKSAGKCQCHCPS-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626712 639470467 /nfs/dbraw/zinc/47/04/67/639470467.db2.gz FIKSAGKCQCHCPS-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626709 639471301 /nfs/dbraw/zinc/47/13/01/639471301.db2.gz FIKSAGKCQCHCPS-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626709 639471305 /nfs/dbraw/zinc/47/13/05/639471305.db2.gz FIKSAGKCQCHCPS-KSSFIOAISA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775711 639488522 /nfs/dbraw/zinc/48/85/22/639488522.db2.gz MAOAPCWIARTCPG-GFCCVEGCSA-N 1 2 299.399 3.079 20 30 CGEDLO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775711 639488528 /nfs/dbraw/zinc/48/85/28/639488528.db2.gz MAOAPCWIARTCPG-GFCCVEGCSA-N 1 2 299.399 3.079 20 30 CGEDLO Cc1ccc(CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000048706922 640068380 /nfs/dbraw/zinc/06/83/80/640068380.db2.gz QCQUAKPVKQZNLU-UHFFFAOYSA-N 1 2 254.333 3.027 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(C#N)cc1F ZINC000080915057 640508562 /nfs/dbraw/zinc/50/85/62/640508562.db2.gz UXWYPEXEEYBRFQ-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(C#N)cc1F ZINC000080915057 640508571 /nfs/dbraw/zinc/50/85/71/640508571.db2.gz UXWYPEXEEYBRFQ-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000957433871 640803580 /nfs/dbraw/zinc/80/35/80/640803580.db2.gz BSCUPQAGDHJFPR-GJZGRUSLSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014920462 640976897 /nfs/dbraw/zinc/97/68/97/640976897.db2.gz RCULRDZKJSXFST-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014920462 640976899 /nfs/dbraw/zinc/97/68/99/640976899.db2.gz RCULRDZKJSXFST-HUUCEWRRSA-N 1 2 296.842 3.066 20 30 CGEDLO C#C[C@@](C)(CC)Nc1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001158737804 805992777 /nfs/dbraw/zinc/99/27/77/805992777.db2.gz KZZXOZNCVWYWEU-INIZCTEOSA-N 1 2 274.364 3.089 20 30 CGEDLO CSc1cc[nH+]c(NCc2ccc(C#N)s2)c1 ZINC001159179728 806056656 /nfs/dbraw/zinc/05/66/56/806056656.db2.gz BJDUSIVXCQKMIQ-UHFFFAOYSA-N 1 2 261.375 3.349 20 30 CGEDLO C=CCCCNc1[nH+]cccc1/C=C/C(=O)OCC ZINC001159258098 806067182 /nfs/dbraw/zinc/06/71/82/806067182.db2.gz NUQQRGLORCOUIS-MDZDMXLPSA-N 1 2 260.337 3.036 20 30 CGEDLO C=CCC[C@H](O)CNc1cc(C)[nH+]c2sccc21 ZINC001252593971 806079385 /nfs/dbraw/zinc/07/93/85/806079385.db2.gz PXQHGZBKUPYBLL-NSHDSACASA-N 1 2 262.378 3.344 20 30 CGEDLO C=CCC[C@@H](O)C[NH2+][C@@H](CCC(C)C)C(=O)OC(C)(C)C ZINC001252617760 806090328 /nfs/dbraw/zinc/09/03/28/806090328.db2.gz KCLQZXGFZOCYHH-CABCVRRESA-N 1 2 299.455 3.050 20 30 CGEDLO CC(C)C[C@H](C#N)[NH2+]C1CCc2ccccc2CC1 ZINC001254454664 806406922 /nfs/dbraw/zinc/40/69/22/806406922.db2.gz FRGPQEYMNLRIEN-QGZVFWFLSA-N 1 2 256.393 3.462 20 30 CGEDLO C[Si](C)(C)C#Cc1ccc(NCCCn2cc[nH+]c2)cn1 ZINC001161688630 806419677 /nfs/dbraw/zinc/41/96/77/806419677.db2.gz XHTWLHGSTXLYSG-UHFFFAOYSA-N 1 2 298.466 3.009 20 30 CGEDLO N#C[C@H]1CC[C@@H]([NH+](Cc2ccccn2)Cc2ccccn2)C1 ZINC001254652863 806475103 /nfs/dbraw/zinc/47/51/03/806475103.db2.gz HVXJUGTZDZSTRM-MAUKXSAKSA-N 1 2 292.386 3.171 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001255176400 806570937 /nfs/dbraw/zinc/57/09/37/806570937.db2.gz ARLZYBGBXZARRJ-MGPQQGTHSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001255176400 806570944 /nfs/dbraw/zinc/57/09/44/806570944.db2.gz ARLZYBGBXZARRJ-MGPQQGTHSA-N 1 2 295.427 3.056 20 30 CGEDLO N#CC1(c2cc[nH+]c(N[C@@H]3CCCC[C@H]3F)c2)CC1 ZINC001162508625 806599469 /nfs/dbraw/zinc/59/94/69/806599469.db2.gz JHBMMAISNUKNFE-CHWSQXEVSA-N 1 2 259.328 3.329 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H]2CCc3sccc32)c1 ZINC001162766650 806661219 /nfs/dbraw/zinc/66/12/19/806661219.db2.gz VNYKIJCNHKZFMK-LBPRGKRZSA-N 1 2 255.346 3.309 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255529876 806665236 /nfs/dbraw/zinc/66/52/36/806665236.db2.gz UZVKABPXWFIPJT-HNNXBMFYSA-N 1 2 299.455 3.437 20 30 CGEDLO COc1cccc(CC/[NH+]=C/c2ccccc2O)c1 ZINC000127937789 799015691 /nfs/dbraw/zinc/01/56/91/799015691.db2.gz KKSGMVQLZOHFKW-SFQUDFHCSA-N 1 2 255.317 3.062 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000717446144 800202392 /nfs/dbraw/zinc/20/23/92/800202392.db2.gz CKHKRBGHCQBHFO-UHFFFAOYSA-N 1 2 280.437 3.170 20 30 CGEDLO C=CCC1(O)CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000717473795 800203780 /nfs/dbraw/zinc/20/37/80/800203780.db2.gz XAFMZIFQCYQUIN-UHFFFAOYSA-N 1 2 294.464 3.344 20 30 CGEDLO CC(C)(C)c1coc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000724376959 800358599 /nfs/dbraw/zinc/35/85/99/800358599.db2.gz QLJSRINCGKOAGL-UHFFFAOYSA-N 1 2 269.348 3.134 20 30 CGEDLO C=CCCCC[N@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC000932327732 800657358 /nfs/dbraw/zinc/65/73/58/800657358.db2.gz ZRDMEIJLYONFTB-HNNXBMFYSA-N 1 2 279.380 3.156 20 30 CGEDLO C=CCCCC[N@@H+]1CCOC[C@H]1c1ccc(COC)o1 ZINC000932327732 800657359 /nfs/dbraw/zinc/65/73/59/800657359.db2.gz ZRDMEIJLYONFTB-HNNXBMFYSA-N 1 2 279.380 3.156 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033185912 800955830 /nfs/dbraw/zinc/95/58/30/800955830.db2.gz WILTWDCNRSNQBI-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033185912 800955834 /nfs/dbraw/zinc/95/58/34/800955834.db2.gz WILTWDCNRSNQBI-HUUCEWRRSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329785 800958901 /nfs/dbraw/zinc/95/89/01/800958901.db2.gz SSLLOSNODXJHLD-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329785 800958907 /nfs/dbraw/zinc/95/89/07/800958907.db2.gz SSLLOSNODXJHLD-LSDHHAIUSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033926850 800989817 /nfs/dbraw/zinc/98/98/17/800989817.db2.gz MGTLPUTZYJZHFL-KGLIPLIRSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033926850 800989821 /nfs/dbraw/zinc/98/98/21/800989821.db2.gz MGTLPUTZYJZHFL-KGLIPLIRSA-N 1 2 298.858 3.098 20 30 CGEDLO C#C[C@H]1CC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001164055589 806882154 /nfs/dbraw/zinc/88/21/54/806882154.db2.gz QEVYREWNDHHUJM-HDJSIYSDSA-N 1 2 290.370 3.486 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001044089101 801228140 /nfs/dbraw/zinc/22/81/40/801228140.db2.gz DPYQRDBZOIIIEZ-WKILWMFISA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071716522 801548204 /nfs/dbraw/zinc/54/82/04/801548204.db2.gz WAZMIDSSKJJLTD-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071716522 801548212 /nfs/dbraw/zinc/54/82/12/801548212.db2.gz WAZMIDSSKJJLTD-ZIAGYGMSSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC)C2 ZINC001109328811 802112216 /nfs/dbraw/zinc/11/22/16/802112216.db2.gz BXKHUXYAXMPJDZ-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC)C2 ZINC001109328811 802112228 /nfs/dbraw/zinc/11/22/28/802112228.db2.gz BXKHUXYAXMPJDZ-RDBSUJKOSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001256868669 806994999 /nfs/dbraw/zinc/99/49/99/806994999.db2.gz YMKMJIGJJIDAIG-YWIABWOTSA-N 1 2 265.397 3.053 20 30 CGEDLO CN1CCC(=[NH+]Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC001117127843 802435490 /nfs/dbraw/zinc/43/54/90/802435490.db2.gz WVEOEZHFANYJFV-UHFFFAOYSA-N 1 2 296.330 3.251 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(C)c2ccccc2[nH+]1 ZINC001117757134 802489716 /nfs/dbraw/zinc/48/97/16/802489716.db2.gz PTJQYXPUIVQUQE-CABCVRRESA-N 1 2 254.333 3.299 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC001123411091 802941032 /nfs/dbraw/zinc/94/10/32/802941032.db2.gz FFOUNMJWVLVVSC-CQSZACIVSA-N 1 2 273.380 3.083 20 30 CGEDLO C[NH+](C)Cc1c(F)cc(-c2ccc(C#N)cc2N)cc1F ZINC001244093341 803181729 /nfs/dbraw/zinc/18/17/29/803181729.db2.gz GOJFPZCWVOTWHC-UHFFFAOYSA-N 1 2 287.313 3.147 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1ccc(C)c(C#N)c1 ZINC001244494251 803401992 /nfs/dbraw/zinc/40/19/92/803401992.db2.gz QPECLDHGICOZJH-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1cccc(C#N)c1C ZINC001244816086 803534721 /nfs/dbraw/zinc/53/47/21/803534721.db2.gz WYZKGSUXWRMKHH-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO CCc1cc(-c2cn3cc[nH+]c3cc2OC)ccc1C#N ZINC001244955858 803591383 /nfs/dbraw/zinc/59/13/83/803591383.db2.gz OLISAZYSZMEADP-UHFFFAOYSA-N 1 2 277.327 3.444 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2ccsc2)c(C#N)c1 ZINC001137704620 803760937 /nfs/dbraw/zinc/76/09/37/803760937.db2.gz NVYSWYHLQVLNCY-UHFFFAOYSA-N 1 2 272.373 3.260 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2ccsc2)c(C#N)c1 ZINC001137704620 803760940 /nfs/dbraw/zinc/76/09/40/803760940.db2.gz NVYSWYHLQVLNCY-UHFFFAOYSA-N 1 2 272.373 3.260 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138053029 803841751 /nfs/dbraw/zinc/84/17/51/803841751.db2.gz CHENJBFLMNMLET-UHFFFAOYSA-N 1 2 285.696 3.427 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cccc(F)c1O ZINC001138127667 803862625 /nfs/dbraw/zinc/86/26/25/803862625.db2.gz KRSIZWWPBISPLL-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC001138127667 803862633 /nfs/dbraw/zinc/86/26/33/803862633.db2.gz KRSIZWWPBISPLL-UHFFFAOYSA-N 1 2 250.317 3.047 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611391 803978172 /nfs/dbraw/zinc/97/81/72/803978172.db2.gz NBHYUJQKVKKOND-OAHLLOKOSA-N 1 2 269.392 3.022 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611391 803978176 /nfs/dbraw/zinc/97/81/76/803978176.db2.gz NBHYUJQKVKKOND-OAHLLOKOSA-N 1 2 269.392 3.022 20 30 CGEDLO CC(C)COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC001138971012 804093849 /nfs/dbraw/zinc/09/38/49/804093849.db2.gz CXFOOOVOJZERAM-MRXNPFEDSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001138971012 804093859 /nfs/dbraw/zinc/09/38/59/804093859.db2.gz CXFOOOVOJZERAM-MRXNPFEDSA-N 1 2 272.392 3.457 20 30 CGEDLO CCO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139690854 804256269 /nfs/dbraw/zinc/25/62/69/804256269.db2.gz LWWHHSLWRDGSBP-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO CCO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139690854 804256277 /nfs/dbraw/zinc/25/62/77/804256277.db2.gz LWWHHSLWRDGSBP-ZDUSSCGKSA-N 1 2 278.783 3.213 20 30 CGEDLO C[N@H+](Cc1cscn1)Cc1c[nH]c2c1cccc2C#N ZINC001139706334 804261617 /nfs/dbraw/zinc/26/16/17/804261617.db2.gz RTNGIKOKTKQJLK-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO C[N@@H+](Cc1cscn1)Cc1c[nH]c2c1cccc2C#N ZINC001139706334 804261623 /nfs/dbraw/zinc/26/16/23/804261623.db2.gz RTNGIKOKTKQJLK-UHFFFAOYSA-N 1 2 282.372 3.128 20 30 CGEDLO COc1cc(F)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001140478683 804445305 /nfs/dbraw/zinc/44/53/05/804445305.db2.gz WYYRSZLTDDHKOK-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cc(F)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001140478683 804445311 /nfs/dbraw/zinc/44/53/11/804445311.db2.gz WYYRSZLTDDHKOK-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001141164058 804601637 /nfs/dbraw/zinc/60/16/37/804601637.db2.gz HRBUXZUKVYGQSB-ZDUSSCGKSA-N 1 2 286.272 3.267 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001141164058 804601642 /nfs/dbraw/zinc/60/16/42/804601642.db2.gz HRBUXZUKVYGQSB-ZDUSSCGKSA-N 1 2 286.272 3.267 20 30 CGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001141903151 804678009 /nfs/dbraw/zinc/67/80/09/804678009.db2.gz SRYYHXAKFSZYHZ-IINYFYTJSA-N 1 2 291.192 3.305 20 30 CGEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001141903151 804678012 /nfs/dbraw/zinc/67/80/12/804678012.db2.gz SRYYHXAKFSZYHZ-IINYFYTJSA-N 1 2 291.192 3.305 20 30 CGEDLO N#CCC1C[NH+](Cc2nccnc2-c2ccc(Cl)cc2)C1 ZINC001142967480 804791451 /nfs/dbraw/zinc/79/14/51/804791451.db2.gz WTFNRIIDXVKUQP-UHFFFAOYSA-N 1 2 298.777 3.142 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143371364 804838229 /nfs/dbraw/zinc/83/82/29/804838229.db2.gz QEBZBDHTWBIJDF-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)ccc(OC)c2Cl)C1 ZINC001143371364 804838238 /nfs/dbraw/zinc/83/82/38/804838238.db2.gz QEBZBDHTWBIJDF-NSHDSACASA-N 1 2 281.758 3.333 20 30 CGEDLO C#CC1CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC001143627132 804878782 /nfs/dbraw/zinc/87/87/82/804878782.db2.gz COZYDUHQJGNSKV-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001143726425 804888867 /nfs/dbraw/zinc/88/88/67/804888867.db2.gz PZAMCACPIWWGHU-CYBMUJFWSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001143726425 804888870 /nfs/dbraw/zinc/88/88/70/804888870.db2.gz PZAMCACPIWWGHU-CYBMUJFWSA-N 1 2 282.721 3.443 20 30 CGEDLO CC(C)O[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730805 804889211 /nfs/dbraw/zinc/88/92/11/804889211.db2.gz BHPPMFSYOVDZOM-ZDUSSCGKSA-N 1 2 278.783 3.211 20 30 CGEDLO CC(C)O[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143730805 804889219 /nfs/dbraw/zinc/88/92/19/804889219.db2.gz BHPPMFSYOVDZOM-ZDUSSCGKSA-N 1 2 278.783 3.211 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1F ZINC001143911367 804905398 /nfs/dbraw/zinc/90/53/98/804905398.db2.gz XWMNOTDUZNCWNS-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1F ZINC001143911367 804905400 /nfs/dbraw/zinc/90/54/00/804905400.db2.gz XWMNOTDUZNCWNS-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1F ZINC001143914887 804905501 /nfs/dbraw/zinc/90/55/01/804905501.db2.gz KYUABMNGDJRKDB-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1F ZINC001143914887 804905505 /nfs/dbraw/zinc/90/55/05/804905505.db2.gz KYUABMNGDJRKDB-UOJUARBOSA-N 1 2 292.329 3.240 20 30 CGEDLO C#CC1CC[NH+](Cc2c(Cl)ccc(F)c2F)CC1 ZINC001143958577 804915796 /nfs/dbraw/zinc/91/57/96/804915796.db2.gz IPHJKQRSTPRDIR-UHFFFAOYSA-N 1 2 269.722 3.463 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(O)cc1F ZINC001144666443 805027803 /nfs/dbraw/zinc/02/78/03/805027803.db2.gz IOYFWVXMELFNLJ-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(O)cc1F ZINC001144666443 805027808 /nfs/dbraw/zinc/02/78/08/805027808.db2.gz IOYFWVXMELFNLJ-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO N#Cc1cccc(Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001250050371 805389393 /nfs/dbraw/zinc/38/93/93/805389393.db2.gz RMHAHPRBZUIRQS-UHFFFAOYSA-N 1 2 263.344 3.144 20 30 CGEDLO C#Cc1cc(Nc2ccc(Cl)c(F)c2OC)cc[nH+]1 ZINC001250189249 805477055 /nfs/dbraw/zinc/47/70/55/805477055.db2.gz SKVYOEOYTKKXRE-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO CC(C)(C)C(=[NH2+])Nc1ncc2c(c1C#N)CCCC2 ZINC001155181166 805552554 /nfs/dbraw/zinc/55/25/54/805552554.db2.gz ACPPWTLMBASDIW-UHFFFAOYSA-N 1 2 256.353 3.267 20 30 CGEDLO COC(=O)CC1CCC([NH2+][C@](C)(C#N)CC(C)C)CC1 ZINC001256981274 807022168 /nfs/dbraw/zinc/02/21/68/807022168.db2.gz MMMOTWYDTVDAEJ-XUJLQICISA-N 1 2 280.412 3.026 20 30 CGEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C(CC)CC ZINC001257287524 807087608 /nfs/dbraw/zinc/08/76/08/807087608.db2.gz ZLKGXJKVAMIZJV-INIZCTEOSA-N 1 2 275.392 3.105 20 30 CGEDLO C#C[C@H]1CCCN(c2[nH+]ccc3cc(OC)c(F)cc32)C1 ZINC001167006353 807127408 /nfs/dbraw/zinc/12/74/08/807127408.db2.gz CFSOFLDJCVZUDP-LBPRGKRZSA-N 1 2 284.334 3.232 20 30 CGEDLO Cc1cc([NH2+][C@H]2CC[C@H](C#N)CC2)ccc1N1CCOCC1 ZINC001167844439 807260810 /nfs/dbraw/zinc/26/08/10/807260810.db2.gz GDKYOHHXOZESNH-WKILWMFISA-N 1 2 299.418 3.326 20 30 CGEDLO CCCCCCC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258050426 807276942 /nfs/dbraw/zinc/27/69/42/807276942.db2.gz UWPZXJWDVQDMDD-OLZOCXBDSA-N 1 2 263.372 3.437 20 30 CGEDLO CCCCCCC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258050426 807276946 /nfs/dbraw/zinc/27/69/46/807276946.db2.gz UWPZXJWDVQDMDD-OLZOCXBDSA-N 1 2 263.372 3.437 20 30 CGEDLO N#Cc1cc(O)ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212698037 815106709 /nfs/dbraw/zinc/10/67/09/815106709.db2.gz IOYLRNYEZNIUAV-UHFFFAOYSA-N 1 2 290.326 3.252 20 30 CGEDLO CCCCCCCCC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCOC1 ZINC001258229675 807376830 /nfs/dbraw/zinc/37/68/30/807376830.db2.gz UHOJLHXNNVBPJG-RDJZCZTQSA-N 1 2 299.455 3.437 20 30 CGEDLO CC1(C)CCC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001258284827 807396174 /nfs/dbraw/zinc/39/61/74/807396174.db2.gz IMMMQPHWOINEEL-OLZOCXBDSA-N 1 2 265.422 3.229 20 30 CGEDLO CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001258284827 807396184 /nfs/dbraw/zinc/39/61/84/807396184.db2.gz IMMMQPHWOINEEL-OLZOCXBDSA-N 1 2 265.422 3.229 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001168482298 807433291 /nfs/dbraw/zinc/43/32/91/807433291.db2.gz WAMUSQJVDQKAKP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001168482298 807433297 /nfs/dbraw/zinc/43/32/97/807433297.db2.gz WAMUSQJVDQKAKP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001168482298 807433301 /nfs/dbraw/zinc/43/33/01/807433301.db2.gz WAMUSQJVDQKAKP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001168482298 807433306 /nfs/dbraw/zinc/43/33/06/807433306.db2.gz WAMUSQJVDQKAKP-NHYWBVRUSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697857 807551706 /nfs/dbraw/zinc/55/17/06/807551706.db2.gz SPADDAXGQCIBDH-XBFCOCLRSA-N 1 2 279.449 3.475 20 30 CGEDLO C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697857 807551707 /nfs/dbraw/zinc/55/17/07/807551707.db2.gz SPADDAXGQCIBDH-XBFCOCLRSA-N 1 2 279.449 3.475 20 30 CGEDLO C=CCC[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001258736238 807581740 /nfs/dbraw/zinc/58/17/40/807581740.db2.gz OURMEZZETHGHAS-ZIAGYGMSSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001258736238 807581745 /nfs/dbraw/zinc/58/17/45/807581745.db2.gz OURMEZZETHGHAS-ZIAGYGMSSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001258736238 807581751 /nfs/dbraw/zinc/58/17/51/807581751.db2.gz OURMEZZETHGHAS-ZIAGYGMSSA-N 1 2 272.383 3.147 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](CC)Cc1ccccc1)C(=O)OCC ZINC001258839754 807652940 /nfs/dbraw/zinc/65/29/40/807652940.db2.gz JIBIUBIAPNDITR-NUJGCVRESA-N 1 2 287.403 3.105 20 30 CGEDLO Cc1noc(Nc2cccc3[nH+]c(C)ccc23)c1C#N ZINC001212794290 815140882 /nfs/dbraw/zinc/14/08/82/815140882.db2.gz SATHMNIKXWSSCO-UHFFFAOYSA-N 1 2 264.288 3.455 20 30 CGEDLO CC1(C#N)C[NH+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378903 807832986 /nfs/dbraw/zinc/83/29/86/807832986.db2.gz NKDCESSJELWEIP-UHFFFAOYSA-N 1 2 279.387 3.236 20 30 CGEDLO C(#Cc1ccccc1)CNc1[nH+]cccc1-n1cccc1 ZINC001170425543 807839106 /nfs/dbraw/zinc/83/91/06/807839106.db2.gz AMNHUOXUSPNTRI-UHFFFAOYSA-N 1 2 273.339 3.336 20 30 CGEDLO Cc1cc(N2CCC(C)(C#N)CC2)nc(C2CCC2)[nH+]1 ZINC001262363917 807856258 /nfs/dbraw/zinc/85/62/58/807856258.db2.gz HWGJFZRZIIEHTD-UHFFFAOYSA-N 1 2 270.380 3.183 20 30 CGEDLO Cc1cn2c(cccc2NC2=CC[C@H](C#N)CC2)[nH+]1 ZINC001212854401 815159366 /nfs/dbraw/zinc/15/93/66/815159366.db2.gz FTUGPYRZLAYEMX-LBPRGKRZSA-N 1 2 252.321 3.262 20 30 CGEDLO COc1cc(OC)cc([C@H](C)Nc2[nH+]cccc2CC#N)c1 ZINC001170930163 807937772 /nfs/dbraw/zinc/93/77/72/807937772.db2.gz GOMPPQSHBSTJJJ-LBPRGKRZSA-N 1 2 297.358 3.338 20 30 CGEDLO C=C(CC(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001263907171 808018543 /nfs/dbraw/zinc/01/85/43/808018543.db2.gz NKYWTFKEDOZONS-QGZVFWFLSA-N 1 2 297.402 3.343 20 30 CGEDLO N#CCc1ccc(NCC2(c3ccccc3)CC2)[nH+]c1 ZINC001171456995 808063165 /nfs/dbraw/zinc/06/31/65/808063165.db2.gz AOGOFJVMLYKLNP-UHFFFAOYSA-N 1 2 263.344 3.291 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548213 808089819 /nfs/dbraw/zinc/08/98/19/808089819.db2.gz WMLQBLMEJMVZSQ-BZNIZROVSA-N 1 2 294.320 3.197 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548213 808089824 /nfs/dbraw/zinc/08/98/24/808089824.db2.gz WMLQBLMEJMVZSQ-BZNIZROVSA-N 1 2 294.320 3.197 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171910434 808152517 /nfs/dbraw/zinc/15/25/17/808152517.db2.gz PAJSWGGSENZSIK-KVULBXGLSA-N 1 2 294.439 3.415 20 30 CGEDLO CC[C@](C)(C#N)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171914051 808153824 /nfs/dbraw/zinc/15/38/24/808153824.db2.gz KJVQSSQZVQNKIB-SEEARECTSA-N 1 2 280.412 3.169 20 30 CGEDLO CC(C)C[C@@H](C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172652747 808409138 /nfs/dbraw/zinc/40/91/38/808409138.db2.gz UNEJRPBUVBFIOI-LBPRGKRZSA-N 1 2 252.402 3.250 20 30 CGEDLO C=CCCC(=O)N(CCC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267449719 808428020 /nfs/dbraw/zinc/42/80/20/808428020.db2.gz FDUCZGDBHYOXMB-CQSZACIVSA-N 1 2 284.831 3.018 20 30 CGEDLO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267449719 808428027 /nfs/dbraw/zinc/42/80/27/808428027.db2.gz FDUCZGDBHYOXMB-CQSZACIVSA-N 1 2 284.831 3.018 20 30 CGEDLO COc1cc(C#N)c(F)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213033783 815207797 /nfs/dbraw/zinc/20/77/97/815207797.db2.gz XFAOUCZCQQWWMV-UHFFFAOYSA-N 1 2 282.278 3.326 20 30 CGEDLO N#C[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915173 808477194 /nfs/dbraw/zinc/47/71/94/808477194.db2.gz MBHMMOWULMQBOY-RDJZCZTQSA-N 1 2 299.374 3.220 20 30 CGEDLO N#C[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915173 808477196 /nfs/dbraw/zinc/47/71/96/808477196.db2.gz MBHMMOWULMQBOY-RDJZCZTQSA-N 1 2 299.374 3.220 20 30 CGEDLO CCCOC1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001173092379 808505281 /nfs/dbraw/zinc/50/52/81/808505281.db2.gz PBEXUYDQYYRALJ-YMAMQOFZSA-N 1 2 252.402 3.252 20 30 CGEDLO C=CCOC1CCC([NH2+]C(C#N)(CC)CC)CC1 ZINC001173317610 808610383 /nfs/dbraw/zinc/61/03/83/808610383.db2.gz LLBYDHXGZRISJO-UHFFFAOYSA-N 1 2 250.386 3.172 20 30 CGEDLO N#Cc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001213086651 815230396 /nfs/dbraw/zinc/23/03/96/815230396.db2.gz UXBTWDSEEUKFRH-UHFFFAOYSA-N 1 2 261.288 3.087 20 30 CGEDLO N#Cc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1F ZINC001174411576 809005172 /nfs/dbraw/zinc/00/51/72/809005172.db2.gz CXFPGQCVZYSMAA-UHFFFAOYSA-N 1 2 252.252 3.269 20 30 CGEDLO CCCc1cc[nH+]c(Nc2ccc(C#N)cc2N)c1 ZINC001213355460 815269624 /nfs/dbraw/zinc/26/96/24/815269624.db2.gz BANUJKYUKXDNHZ-UHFFFAOYSA-N 1 2 252.321 3.232 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C#N ZINC001175349685 809372566 /nfs/dbraw/zinc/37/25/66/809372566.db2.gz COPUCWTXZAYABR-UHFFFAOYSA-N 1 2 289.342 3.169 20 30 CGEDLO C[N@@H+]1CCC=C(Nc2sc3c(c2C#N)CCCC3)C1 ZINC001175574122 809456283 /nfs/dbraw/zinc/45/62/83/809456283.db2.gz MPVCSUXSPIEFSM-UHFFFAOYSA-N 1 2 273.405 3.130 20 30 CGEDLO C[N@H+]1CCC=C(Nc2sc3c(c2C#N)CCCC3)C1 ZINC001175574122 809456287 /nfs/dbraw/zinc/45/62/87/809456287.db2.gz MPVCSUXSPIEFSM-UHFFFAOYSA-N 1 2 273.405 3.130 20 30 CGEDLO Cc1c[nH+]cc(Nc2ncc(C#N)cc2Cl)c1C ZINC001213523453 815297201 /nfs/dbraw/zinc/29/72/01/815297201.db2.gz SOTUUKFDFJQRCR-UHFFFAOYSA-N 1 2 258.712 3.362 20 30 CGEDLO COc1cc[nH+]cc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001176118372 809626390 /nfs/dbraw/zinc/62/63/90/809626390.db2.gz JIAQWTXQWIPCGS-UHFFFAOYSA-N 1 2 294.236 3.119 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(C#N)cc1Cl ZINC001176120943 809627589 /nfs/dbraw/zinc/62/75/89/809627589.db2.gz BPKMEXDXMFUEDP-UHFFFAOYSA-N 1 2 259.696 3.359 20 30 CGEDLO Cc1cn2c(cccc2Nc2ccc(F)c(C#N)c2)[nH+]1 ZINC001176610159 809730530 /nfs/dbraw/zinc/73/05/30/809730530.db2.gz BIMHERHSEHOWIR-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)CC#N ZINC001179478385 809924293 /nfs/dbraw/zinc/92/42/93/809924293.db2.gz AJGDHMLKEZMVCG-ZDUSSCGKSA-N 1 2 281.359 3.149 20 30 CGEDLO CC(C)c1ccc(C[NH2+][C@H](C)CC#N)cc1[N+](=O)[O-] ZINC001179479749 809924347 /nfs/dbraw/zinc/92/43/47/809924347.db2.gz TVECDMPIKPDNRV-LLVKDONJSA-N 1 2 261.325 3.110 20 30 CGEDLO N#Cc1ccccc1NC(=S)Nc1cccc2[nH+]ccn21 ZINC001196285428 811331510 /nfs/dbraw/zinc/33/15/10/811331510.db2.gz OUKPBPNHZAHZQQ-UHFFFAOYSA-N 1 2 293.355 3.015 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCCC(C)C)CC1 ZINC001197236495 811406583 /nfs/dbraw/zinc/40/65/83/811406583.db2.gz LJRXUULINXZXEX-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCCC(C)C)CC1 ZINC001197236495 811406589 /nfs/dbraw/zinc/40/65/89/811406589.db2.gz LJRXUULINXZXEX-UHFFFAOYSA-N 1 2 286.847 3.100 20 30 CGEDLO COc1ccc(Nc2ccc(C)[nH+]c2C)cc1C#N ZINC001203374016 812330556 /nfs/dbraw/zinc/33/05/56/812330556.db2.gz CTTFLVNEDCIZMM-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1ccc(-n2cc(C#N)c3cc(N)ccc32)c(C)[nH+]1 ZINC001203376974 812331826 /nfs/dbraw/zinc/33/18/26/812331826.db2.gz YAJDFZVRVNXBOB-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO COC(=O)c1cc(Nc2ccc(C)[nH+]c2C)ccc1C#N ZINC001203381419 812334710 /nfs/dbraw/zinc/33/47/10/812334710.db2.gz XMFLQTKNMYFDDB-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2C(C)C)c1 ZINC001203657331 812418551 /nfs/dbraw/zinc/41/85/51/812418551.db2.gz LGEPGKHMPNCVAH-UHFFFAOYSA-N 1 2 255.325 3.091 20 30 CGEDLO COc1ccc(Nc2cc(C)c[nH+]c2C)c(C#N)c1 ZINC001203663031 812420049 /nfs/dbraw/zinc/42/00/49/812420049.db2.gz FESCNPMWKHAQHG-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cn1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c1C#N ZINC001203719004 812439897 /nfs/dbraw/zinc/43/98/97/812439897.db2.gz OJBJHENVZLKNMC-UHFFFAOYSA-N 1 2 281.363 3.026 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C(=O)OCC ZINC001205849719 813107080 /nfs/dbraw/zinc/10/70/80/813107080.db2.gz TWACXBAYQQNVTA-XJKSGUPXSA-N 1 2 293.382 3.244 20 30 CGEDLO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)no1 ZINC001206818168 813445270 /nfs/dbraw/zinc/44/52/70/813445270.db2.gz KZUHQUHLIDBTPA-UHFFFAOYSA-N 1 2 281.359 3.040 20 30 CGEDLO CCCCCCC/C=C/C[N@H+](C)[C@@H](C)C(=O)OC ZINC001208118462 813696878 /nfs/dbraw/zinc/69/68/78/813696878.db2.gz IAMSCIDQXBUZPS-GETOMWPZSA-N 1 2 255.402 3.396 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+](C)[C@@H](C)C(=O)OC ZINC001208118462 813696882 /nfs/dbraw/zinc/69/68/82/813696882.db2.gz IAMSCIDQXBUZPS-GETOMWPZSA-N 1 2 255.402 3.396 20 30 CGEDLO C#CCCC[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001209270282 813989060 /nfs/dbraw/zinc/98/90/60/813989060.db2.gz XYRRQYMKCJVNID-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C#CCCC[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001209270282 813989066 /nfs/dbraw/zinc/98/90/66/813989066.db2.gz XYRRQYMKCJVNID-OAHLLOKOSA-N 1 2 263.768 3.127 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCCC)cc2)cc[nH+]1 ZINC001209864615 814175359 /nfs/dbraw/zinc/17/53/59/814175359.db2.gz KGMGGSNTMHSBKG-UHFFFAOYSA-N 1 2 252.317 3.017 20 30 CGEDLO C=CCCCCCCCCCN1CC[NH2+]C[C@H]1C#N ZINC001210122640 814299796 /nfs/dbraw/zinc/29/97/96/814299796.db2.gz SGJIWQULYWPSBK-MRXNPFEDSA-N 1 2 263.429 3.091 20 30 CGEDLO Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cnc1C#N ZINC001210201936 814336860 /nfs/dbraw/zinc/33/68/60/814336860.db2.gz JSYMIMCCPMWOBP-UHFFFAOYSA-N 1 2 283.722 3.306 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cc(C)cc(C#N)c1 ZINC001210387531 814436945 /nfs/dbraw/zinc/43/69/45/814436945.db2.gz HCCFKPGAGTVZSA-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO C#Cc1cc(Nc2ccccc2N2CCCCC2)cc[nH+]1 ZINC001210960618 814691944 /nfs/dbraw/zinc/69/19/44/814691944.db2.gz GFSQBEXHOBKJCF-UHFFFAOYSA-N 1 2 277.371 3.219 20 30 CGEDLO CC#Cc1cncc(Nc2[nH+]c(C)ccc2CC)c1 ZINC001211054143 814724203 /nfs/dbraw/zinc/72/42/03/814724203.db2.gz MFXLRQKWCOCGJO-UHFFFAOYSA-N 1 2 251.333 3.462 20 30 CGEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c(C)n1 ZINC001242928382 823175469 /nfs/dbraw/zinc/17/54/69/823175469.db2.gz DYEIEEMTEHWOPR-YBFXNURJSA-N 1 2 294.358 3.159 20 30 CGEDLO CCC[C@H](C#Cc1ccccc1)Oc1cc(N)cc[nH+]1 ZINC001218440176 816214234 /nfs/dbraw/zinc/21/42/34/816214234.db2.gz YXGPBGWHAQFLHH-MRXNPFEDSA-N 1 2 266.344 3.263 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001219556827 816272388 /nfs/dbraw/zinc/27/23/88/816272388.db2.gz GWCIRDUGKNQPPG-UHFFFAOYSA-N 1 2 286.379 3.448 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1c(C)cc(C#N)cc1C ZINC001222666053 816495081 /nfs/dbraw/zinc/49/50/81/816495081.db2.gz AAOKFXIDKIMGGJ-UHFFFAOYSA-N 1 2 277.327 3.498 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](CCC#N)C1CCCC1 ZINC001231618296 818138775 /nfs/dbraw/zinc/13/87/75/818138775.db2.gz FQROLGWXUFFRKH-UHFFFAOYSA-N 1 2 283.375 3.225 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001231618296 818138780 /nfs/dbraw/zinc/13/87/80/818138780.db2.gz FQROLGWXUFFRKH-UHFFFAOYSA-N 1 2 283.375 3.225 20 30 CGEDLO C#Cc1cccc(C[N@H+](C)Cc2cnc(Cl)s2)c1 ZINC001231657340 818150408 /nfs/dbraw/zinc/15/04/08/818150408.db2.gz JEACIQPHVJJNLQ-UHFFFAOYSA-N 1 2 276.792 3.410 20 30 CGEDLO C#Cc1cccc(C[N@@H+](C)Cc2cnc(Cl)s2)c1 ZINC001231657340 818150411 /nfs/dbraw/zinc/15/04/11/818150411.db2.gz JEACIQPHVJJNLQ-UHFFFAOYSA-N 1 2 276.792 3.410 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231893047 818206189 /nfs/dbraw/zinc/20/61/89/818206189.db2.gz RAJHVBKMOWSOBQ-UHFFFAOYSA-N 1 2 265.307 3.145 20 30 CGEDLO C=CCC[N@@H+](Cc1nnc(C)s1)Cc1ccccc1 ZINC001232245021 818292552 /nfs/dbraw/zinc/29/25/52/818292552.db2.gz ITNXMLBYRFJHHA-UHFFFAOYSA-N 1 2 273.405 3.425 20 30 CGEDLO C=CCC[N@H+](Cc1nnc(C)s1)Cc1ccccc1 ZINC001232245021 818292556 /nfs/dbraw/zinc/29/25/56/818292556.db2.gz ITNXMLBYRFJHHA-UHFFFAOYSA-N 1 2 273.405 3.425 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444862 818353047 /nfs/dbraw/zinc/35/30/47/818353047.db2.gz JAURQEKEJCPARL-SNVBAGLBSA-N 1 2 272.270 3.424 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444862 818353053 /nfs/dbraw/zinc/35/30/53/818353053.db2.gz JAURQEKEJCPARL-SNVBAGLBSA-N 1 2 272.270 3.424 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(OCc2ccccc2)no1 ZINC001232452858 818355491 /nfs/dbraw/zinc/35/54/91/818355491.db2.gz OOOXQDCVPXCWAF-UHFFFAOYSA-N 1 2 284.359 3.428 20 30 CGEDLO C[N@H+](Cc1cc(C#N)ccn1)Cc1ccccc1Cl ZINC001232480566 818364697 /nfs/dbraw/zinc/36/46/97/818364697.db2.gz DGKNDAJUXBLUBK-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)ccn1)Cc1ccccc1Cl ZINC001232480566 818364703 /nfs/dbraw/zinc/36/47/03/818364703.db2.gz DGKNDAJUXBLUBK-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO N#CCC[N@@H+](Cc1cccc(CF)n1)C1CCCC1 ZINC001232535663 818378780 /nfs/dbraw/zinc/37/87/80/818378780.db2.gz ZJSHXTGKDOLWRA-UHFFFAOYSA-N 1 2 261.344 3.209 20 30 CGEDLO N#CCC[N@H+](Cc1cccc(CF)n1)C1CCCC1 ZINC001232535663 818378788 /nfs/dbraw/zinc/37/87/88/818378788.db2.gz ZJSHXTGKDOLWRA-UHFFFAOYSA-N 1 2 261.344 3.209 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001232891584 818466388 /nfs/dbraw/zinc/46/63/88/818466388.db2.gz KWQMPIPSRQXJCG-NSHDSACASA-N 1 2 268.282 3.174 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001232891584 818466394 /nfs/dbraw/zinc/46/63/94/818466394.db2.gz KWQMPIPSRQXJCG-NSHDSACASA-N 1 2 268.282 3.174 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(Cl)cnc1OCC ZINC001233172434 818536274 /nfs/dbraw/zinc/53/62/74/818536274.db2.gz RYLYORRHBKLWJR-UHFFFAOYSA-N 1 2 266.772 3.308 20 30 CGEDLO C#C[C@H]1CCC[C@H]1Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588331 818887425 /nfs/dbraw/zinc/88/74/25/818887425.db2.gz MAYLJDIUEDJRFH-SWLSCSKDSA-N 1 2 257.333 3.229 20 30 CGEDLO CCOC(=[NH2+])c1ccc(OC2=C(CC)O[C@@H](C)C2=O)cc1 ZINC001234588392 818887949 /nfs/dbraw/zinc/88/79/49/818887949.db2.gz NNELXYUALVRGRM-JTQLQIEISA-N 1 2 289.331 3.037 20 30 CGEDLO COc1cncc(C[N@H+](CCC#N)C2CCCC2)c1C ZINC001235464487 819105774 /nfs/dbraw/zinc/10/57/74/819105774.db2.gz IWHDBEFSLZXTNI-UHFFFAOYSA-N 1 2 273.380 3.057 20 30 CGEDLO COc1cncc(C[N@@H+](CCC#N)C2CCCC2)c1C ZINC001235464487 819105775 /nfs/dbraw/zinc/10/57/75/819105775.db2.gz IWHDBEFSLZXTNI-UHFFFAOYSA-N 1 2 273.380 3.057 20 30 CGEDLO COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001236675038 819566907 /nfs/dbraw/zinc/56/69/07/819566907.db2.gz DBBOWONYQLPPMN-CYBMUJFWSA-N 1 2 266.344 3.194 20 30 CGEDLO COc1cc2ccccc2cc1C[N@H+]1CC[C@H](C#N)C1 ZINC001236675038 819566914 /nfs/dbraw/zinc/56/69/14/819566914.db2.gz DBBOWONYQLPPMN-CYBMUJFWSA-N 1 2 266.344 3.194 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc2ncnc(Cl)c2c1 ZINC001237586501 819782440 /nfs/dbraw/zinc/78/24/40/819782440.db2.gz XDCPLCSOURKSTH-UHFFFAOYSA-N 1 2 274.755 3.019 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc2ncnc(Cl)c2c1 ZINC001237586501 819782443 /nfs/dbraw/zinc/78/24/43/819782443.db2.gz XDCPLCSOURKSTH-UHFFFAOYSA-N 1 2 274.755 3.019 20 30 CGEDLO N#Cc1cc(F)cnc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656069 823476779 /nfs/dbraw/zinc/47/67/79/823476779.db2.gz BOJFCDDNQCOVEO-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#Cc1cc2c(nc1-c1ccc3[nH+]ccn3c1)CCCC2 ZINC001240216455 820887008 /nfs/dbraw/zinc/88/70/08/820887008.db2.gz HNHRSPGVMRSZNF-UHFFFAOYSA-N 1 2 274.327 3.147 20 30 CGEDLO N#Cc1cc(-c2ccn3cc[nH+]c3c2)ncc1C(F)(F)F ZINC001240496372 821091738 /nfs/dbraw/zinc/09/17/38/821091738.db2.gz CMRGCIWFQKHMRX-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO COc1ccc(CC#N)cc1-c1ccn2cc[nH+]c2c1 ZINC001240509369 821103534 /nfs/dbraw/zinc/10/35/34/821103534.db2.gz XSDYSHMBFVCHEV-UHFFFAOYSA-N 1 2 263.300 3.076 20 30 CGEDLO Cc1ncccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001240731349 821284735 /nfs/dbraw/zinc/28/47/35/821284735.db2.gz KUNASRWZGCQBFS-YBFXNURJSA-N 1 2 264.332 3.150 20 30 CGEDLO Cc1cc(C#N)c(-c2c[nH+]c(N(C)C)cc2C)nc1C ZINC001241228868 821653625 /nfs/dbraw/zinc/65/36/25/821653625.db2.gz UXRIHXBMGKPCGF-UHFFFAOYSA-N 1 2 266.348 3.007 20 30 CGEDLO COc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1O ZINC001242174819 822903116 /nfs/dbraw/zinc/90/31/16/822903116.db2.gz FQXKVNUHQUJJOQ-YBFXNURJSA-N 1 2 295.342 3.161 20 30 CGEDLO Cc1cn2cc(C3=CC(=O)CC(C)(C)C3)ccc2[nH+]1 ZINC001242316903 822949889 /nfs/dbraw/zinc/94/98/89/822949889.db2.gz WFPDMGLDLRQHPE-UHFFFAOYSA-N 1 2 254.333 3.415 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC)o1 ZINC001334903175 936121621 /nfs/dbraw/zinc/12/16/21/936121621.db2.gz WTDSNAIWJBDDEJ-UHFFFAOYSA-N 1 2 264.369 3.440 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)o1 ZINC001334903175 936121622 /nfs/dbraw/zinc/12/16/22/936121622.db2.gz WTDSNAIWJBDDEJ-UHFFFAOYSA-N 1 2 264.369 3.440 20 30 CGEDLO C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C)CCC)CC2 ZINC001482241624 927183883 /nfs/dbraw/zinc/18/38/83/927183883.db2.gz IFAOWISKSBNQRW-CYBMUJFWSA-N 1 2 298.858 3.100 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)C(=O)OCC ZINC001474527702 937206001 /nfs/dbraw/zinc/20/60/01/937206001.db2.gz DAQNMZSUEBUVMI-SOUVJXGZSA-N 1 2 297.439 3.066 20 30 CGEDLO CCc1cccc(Nc2ccc(OCC#N)cc2)[nH+]1 ZINC001212606984 928146762 /nfs/dbraw/zinc/14/67/62/928146762.db2.gz GQKNSMQAAUOEGK-UHFFFAOYSA-N 1 2 253.305 3.290 20 30 CGEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001171208595 928201363 /nfs/dbraw/zinc/20/13/63/928201363.db2.gz DRGAKMWDHXKPGB-BXUZGUMPSA-N 1 2 282.309 3.168 20 30 CGEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001171208595 928201370 /nfs/dbraw/zinc/20/13/70/928201370.db2.gz DRGAKMWDHXKPGB-BXUZGUMPSA-N 1 2 282.309 3.168 20 30 CGEDLO C=CC[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001458200609 937454601 /nfs/dbraw/zinc/45/46/01/937454601.db2.gz SYWGUAIKDRDOSL-LLVKDONJSA-N 1 2 252.321 3.259 20 30 CGEDLO Cc1cc(CNc2ccc([N+](=O)[O-])cc2C#N)cc(C)[nH+]1 ZINC001458444657 937463121 /nfs/dbraw/zinc/46/31/21/937463121.db2.gz KCYYNOPYADYGGF-UHFFFAOYSA-N 1 2 282.303 3.090 20 30 CGEDLO C[NH+]1CC(Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229373937 932140641 /nfs/dbraw/zinc/14/06/41/932140641.db2.gz FQSIHQIPGTVJFA-UHFFFAOYSA-N 1 2 284.334 3.269 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001461959233 937609406 /nfs/dbraw/zinc/60/94/06/937609406.db2.gz LJBNTAOHIVXZJY-UHFFFAOYSA-N 1 2 283.268 3.303 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001461959233 937609407 /nfs/dbraw/zinc/60/94/07/937609407.db2.gz LJBNTAOHIVXZJY-UHFFFAOYSA-N 1 2 283.268 3.303 20 30 CGEDLO C=C[C@@H](CCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922111 932642481 /nfs/dbraw/zinc/64/24/81/932642481.db2.gz ZARNKLCKKHHOFS-AWEZNQCLSA-N 1 2 259.349 3.491 20 30 CGEDLO C#CC[C@@H](CC)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084208 932675784 /nfs/dbraw/zinc/67/57/84/932675784.db2.gz ZUJSWCOCWZISBV-CQSZACIVSA-N 1 2 254.333 3.268 20 30 CGEDLO CCOc1ccc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001238708280 932695109 /nfs/dbraw/zinc/69/51/09/932695109.db2.gz MWKNTDPHTAIHOS-AWEZNQCLSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1ccc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001238708280 932695112 /nfs/dbraw/zinc/69/51/12/932695112.db2.gz MWKNTDPHTAIHOS-AWEZNQCLSA-N 1 2 258.365 3.129 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc(F)cc1 ZINC001462275212 937629015 /nfs/dbraw/zinc/62/90/15/937629015.db2.gz GVLVGQDIHSGKDG-OAHLLOKOSA-N 1 2 291.272 3.274 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)cs1)Cc1ccccc1 ZINC001307754537 932997311 /nfs/dbraw/zinc/99/73/11/932997311.db2.gz XTNZFBQTACETGB-UHFFFAOYSA-N 1 2 299.395 3.170 20 30 CGEDLO C#CC[N@H+](Cc1cc(C(=O)OC)cs1)Cc1ccccc1 ZINC001307754537 932997314 /nfs/dbraw/zinc/99/73/14/932997314.db2.gz XTNZFBQTACETGB-UHFFFAOYSA-N 1 2 299.395 3.170 20 30 CGEDLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC001308802084 933178717 /nfs/dbraw/zinc/17/87/17/933178717.db2.gz OZJKLBWEBZJZQB-PIGZYNQJSA-N 1 2 282.318 3.309 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccccc1F)C(=O)OCC ZINC001308918937 933204331 /nfs/dbraw/zinc/20/43/31/933204331.db2.gz RULFLBMVGWHWCJ-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1nccc2ccccc21 ZINC001308958131 933212364 /nfs/dbraw/zinc/21/23/64/933212364.db2.gz JIJMPKIWWACTFU-LLVKDONJSA-N 1 2 294.383 3.414 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001317491590 933605192 /nfs/dbraw/zinc/60/51/92/933605192.db2.gz BOPBWEUTQRGAQJ-YMAMQOFZSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001317491590 933605199 /nfs/dbraw/zinc/60/51/99/933605199.db2.gz BOPBWEUTQRGAQJ-YMAMQOFZSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC001320303910 934028664 /nfs/dbraw/zinc/02/86/64/934028664.db2.gz TYGSNUQUGXUDMC-WDEREUQCSA-N 1 2 254.399 3.118 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccccc1N1CCCC1 ZINC001320700564 934091028 /nfs/dbraw/zinc/09/10/28/934091028.db2.gz RZUVIJJJBGPSSM-UHFFFAOYSA-N 1 2 280.375 3.436 20 30 CGEDLO C=CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC001320787110 934104152 /nfs/dbraw/zinc/10/41/52/934104152.db2.gz ITNSUHBRHSXXLH-FRRDWIJNSA-N 1 2 285.453 3.004 20 30 CGEDLO C#CCOc1ccc(CNc2[nH+]cccc2OC(C)C)cc1 ZINC001321712472 934206585 /nfs/dbraw/zinc/20/65/85/934206585.db2.gz KZUGMZOTNKPXIZ-UHFFFAOYSA-N 1 2 296.370 3.493 20 30 CGEDLO Cc1cc(CNc2c(C#N)cccc2C#N)cc(C)[nH+]1 ZINC001472809698 937785149 /nfs/dbraw/zinc/78/51/49/937785149.db2.gz XIUVUWHUXPVYQL-UHFFFAOYSA-N 1 2 262.316 3.054 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccccc1F)C(=O)OCC ZINC001326379471 934975570 /nfs/dbraw/zinc/97/55/70/934975570.db2.gz AQXNNAHCTSXEGJ-BBRMVZONSA-N 1 2 293.382 3.244 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)CCc1ccsc1)C(=O)OCC ZINC001326380097 934975656 /nfs/dbraw/zinc/97/56/56/934975656.db2.gz FHGDDGNZRKPBGE-OCCSQVGLSA-N 1 2 281.421 3.167 20 30 CGEDLO C=CCCCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001473729717 937819341 /nfs/dbraw/zinc/81/93/41/937819341.db2.gz VNPOGDUDOZDIBX-UHFFFAOYSA-N 1 2 272.392 3.082 20 30 CGEDLO C=CCCCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC001473729717 937819342 /nfs/dbraw/zinc/81/93/42/937819342.db2.gz VNPOGDUDOZDIBX-UHFFFAOYSA-N 1 2 272.392 3.082 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1ccoc1CCC ZINC001329592343 935230823 /nfs/dbraw/zinc/23/08/23/935230823.db2.gz NIMJFXVNSOKWDP-GFCCVEGCSA-N 1 2 298.814 3.035 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1ccoc1CCC ZINC001329592343 935230826 /nfs/dbraw/zinc/23/08/26/935230826.db2.gz NIMJFXVNSOKWDP-GFCCVEGCSA-N 1 2 298.814 3.035 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)C[C@H](C)C(C)(C)C)c1=S ZINC001329742556 935242602 /nfs/dbraw/zinc/24/26/02/935242602.db2.gz AZEIOPSKGIKRLR-LBPRGKRZSA-N 1 2 282.457 3.172 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)C[C@H](C)C(C)(C)C)c1=S ZINC001329742556 935242606 /nfs/dbraw/zinc/24/26/06/935242606.db2.gz AZEIOPSKGIKRLR-LBPRGKRZSA-N 1 2 282.457 3.172 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cccc(C#N)c1O ZINC001329747917 935243843 /nfs/dbraw/zinc/24/38/43/935243843.db2.gz DOLMDRDGVIQOFG-CYZMBNFOSA-N 1 2 262.328 3.195 20 30 CGEDLO C[C@H](CCC#N)[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC001331336668 935370582 /nfs/dbraw/zinc/37/05/82/935370582.db2.gz ZDMAGZDDCPIAAL-OLZOCXBDSA-N 1 2 284.363 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)[C@H](C)CCC)C(C)C ZINC001332693006 935481822 /nfs/dbraw/zinc/48/18/22/935481822.db2.gz IVIBFRGMTISQLB-CYBMUJFWSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)[C@H](C)CCC)C(C)C ZINC001332693006 935481825 /nfs/dbraw/zinc/48/18/25/935481825.db2.gz IVIBFRGMTISQLB-CYBMUJFWSA-N 1 2 288.863 3.344 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC1(C)CC1)C(C)C ZINC001332719814 935484641 /nfs/dbraw/zinc/48/46/41/935484641.db2.gz DFFKXEDOBGBZDV-UHFFFAOYSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC1(C)CC1)C(C)C ZINC001332719814 935484643 /nfs/dbraw/zinc/48/46/43/935484643.db2.gz DFFKXEDOBGBZDV-UHFFFAOYSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(C)CCC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001337250124 936246100 /nfs/dbraw/zinc/24/61/00/936246100.db2.gz KPGUPXUTLQOUDN-INIZCTEOSA-N 1 2 297.402 3.176 20 30 CGEDLO Cc1[nH]c([C@@H]2CCCN2Cc2ccc(F)cc2C#N)[nH+]c1C ZINC001473791100 937822251 /nfs/dbraw/zinc/82/22/51/937822251.db2.gz WKOJRZSURXMACU-INIZCTEOSA-N 1 2 298.365 3.374 20 30 CGEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC001476303825 937887685 /nfs/dbraw/zinc/88/76/85/937887685.db2.gz SMQKCPHZACSYKI-CABCVRRESA-N 1 2 287.407 3.377 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@](C)(F)CCCC ZINC001496729662 937963532 /nfs/dbraw/zinc/96/35/32/937963532.db2.gz PDHAEPXJKVOELG-CQSZACIVSA-N 1 2 292.826 3.048 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@](C)(F)CCCC ZINC001496729662 937963533 /nfs/dbraw/zinc/96/35/33/937963533.db2.gz PDHAEPXJKVOELG-CQSZACIVSA-N 1 2 292.826 3.048 20 30 CGEDLO C=CCC[C@@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001520229383 938024011 /nfs/dbraw/zinc/02/40/11/938024011.db2.gz NSWQMBGDAVPATJ-CQSZACIVSA-N 1 2 284.363 3.297 20 30 CGEDLO C#Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(Cl)c1 ZINC001538774483 938120526 /nfs/dbraw/zinc/12/05/26/938120526.db2.gz AIWPKCFYJKWRBX-NSHDSACASA-N 1 2 287.750 3.108 20 30 CGEDLO C#C[C@H]1COCC[N@H+]1Cc1c(C)c(C)c(C)c(C)c1C ZINC001559899375 938238131 /nfs/dbraw/zinc/23/81/31/938238131.db2.gz FIVBXQJPDQCJAA-KRWDZBQOSA-N 1 2 271.404 3.063 20 30 CGEDLO C#C[C@H]1COCC[N@@H+]1Cc1c(C)c(C)c(C)c(C)c1C ZINC001559899375 938238132 /nfs/dbraw/zinc/23/81/32/938238132.db2.gz FIVBXQJPDQCJAA-KRWDZBQOSA-N 1 2 271.404 3.063 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(Cl)cc1F ZINC001560825324 938277958 /nfs/dbraw/zinc/27/79/58/938277958.db2.gz JCELWMXURJBNCA-CQSZACIVSA-N 1 2 290.725 3.044 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)OCC ZINC001560968000 938287233 /nfs/dbraw/zinc/28/72/33/938287233.db2.gz TVIZLZIRIJASBZ-MQYQWHSLSA-N 1 2 285.815 3.087 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001567342177 961295236 /nfs/dbraw/zinc/29/52/36/961295236.db2.gz BNANMBGGBYREEV-JSGCOSHPSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001567342177 961295256 /nfs/dbraw/zinc/29/52/56/961295256.db2.gz BNANMBGGBYREEV-JSGCOSHPSA-N 1 2 286.847 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001567447700 961355910 /nfs/dbraw/zinc/35/59/10/961355910.db2.gz ZKNQLAXHNUBIFU-GXTWGEPZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001567447700 961355924 /nfs/dbraw/zinc/35/59/24/961355924.db2.gz ZKNQLAXHNUBIFU-GXTWGEPZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C1(CCCC)CC1 ZINC001570733519 962054404 /nfs/dbraw/zinc/05/44/04/962054404.db2.gz BEVHYXTXMZYDPY-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C1(CCCC)CC1 ZINC001570733519 962054429 /nfs/dbraw/zinc/05/44/29/962054429.db2.gz BEVHYXTXMZYDPY-ZDUSSCGKSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C1CC[NH+](Cc2cc(OC)ncc2Br)CC1 ZINC000621257148 349483462 /nfs/dbraw/zinc/48/34/62/349483462.db2.gz JOELRMKAIMNLAU-UHFFFAOYSA-N 1 2 297.196 3.005 20 30 CGEDLO COCC[N@H+](CCC#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000589984871 346820045 /nfs/dbraw/zinc/82/00/45/346820045.db2.gz DKUXMBLZPKVTAV-QGZVFWFLSA-N 1 2 290.407 3.015 20 30 CGEDLO COCC[N@@H+](CCC#N)C[C@@H](OC(C)C)c1ccccc1 ZINC000589984871 346820048 /nfs/dbraw/zinc/82/00/48/346820048.db2.gz DKUXMBLZPKVTAV-QGZVFWFLSA-N 1 2 290.407 3.015 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439453691 529396986 /nfs/dbraw/zinc/39/69/86/529396986.db2.gz QKMVHYJXTVDHDS-SMDDNHRTSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000439453691 529396990 /nfs/dbraw/zinc/39/69/90/529396990.db2.gz QKMVHYJXTVDHDS-SMDDNHRTSA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)ccc1F ZINC000590711801 346866639 /nfs/dbraw/zinc/86/66/39/346866639.db2.gz NXVIIRZBMSZELR-SNVBAGLBSA-N 1 2 250.292 3.309 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCc2nccc(Br)c2C1 ZINC000623287234 349775995 /nfs/dbraw/zinc/77/59/95/349775995.db2.gz VFSNKSHHKRHIRE-LLVKDONJSA-N 1 2 293.208 3.004 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287234 349775998 /nfs/dbraw/zinc/77/59/98/349775998.db2.gz VFSNKSHHKRHIRE-LLVKDONJSA-N 1 2 293.208 3.004 20 30 CGEDLO CCc1cnccc1[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329139209 529678585 /nfs/dbraw/zinc/67/85/85/529678585.db2.gz FDIQKNFVCOGBNX-GXTWGEPZSA-N 1 2 298.390 3.121 20 30 CGEDLO Cc1cc(N2CC[C@@H](Oc3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000591823676 346939726 /nfs/dbraw/zinc/93/97/26/346939726.db2.gz FITACAOPXBJOMR-MRXNPFEDSA-N 1 2 297.333 3.059 20 30 CGEDLO Cc1cccnc1[C@H]([NH2+]Cc1ccncc1C#N)C(C)C ZINC000592080531 346961329 /nfs/dbraw/zinc/96/13/29/346961329.db2.gz SWUFGYQFWIGGAN-MRXNPFEDSA-N 1 2 280.375 3.144 20 30 CGEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccncc1C#N ZINC000592110222 346964053 /nfs/dbraw/zinc/96/40/53/346964053.db2.gz ATRIBPRQMXBNDX-LBPRGKRZSA-N 1 2 283.297 3.116 20 30 CGEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccncc1C#N ZINC000592110222 346964055 /nfs/dbraw/zinc/96/40/55/346964055.db2.gz ATRIBPRQMXBNDX-LBPRGKRZSA-N 1 2 283.297 3.116 20 30 CGEDLO CC[N@@H+](Cc1cnn(-c2ccccc2C)c1)C[C@H](C)C#N ZINC000592497882 346994114 /nfs/dbraw/zinc/99/41/14/346994114.db2.gz FAPLGJSUSBOFHC-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO CC[N@H+](Cc1cnn(-c2ccccc2C)c1)C[C@H](C)C#N ZINC000592497882 346994117 /nfs/dbraw/zinc/99/41/17/346994117.db2.gz FAPLGJSUSBOFHC-CQSZACIVSA-N 1 2 282.391 3.162 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C2(CCC2)CO1 ZINC000593093858 347038295 /nfs/dbraw/zinc/03/82/95/347038295.db2.gz VTUBIGIJAPSZOH-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)C2(CCC2)CO1 ZINC000593093858 347038298 /nfs/dbraw/zinc/03/82/98/347038298.db2.gz VTUBIGIJAPSZOH-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CO1 ZINC000593059661 347033854 /nfs/dbraw/zinc/03/38/54/347033854.db2.gz RXJKDDMNJULWLB-UONOGXRCSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)[C@@H](CC)CO1 ZINC000593059661 347033856 /nfs/dbraw/zinc/03/38/56/347033856.db2.gz RXJKDDMNJULWLB-UONOGXRCSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1ccc2[nH+]ccc(NCC3(C#N)CCCC3)c2c1 ZINC000593484732 347085087 /nfs/dbraw/zinc/08/50/87/347085087.db2.gz MEDFUKBRWFBXEE-UHFFFAOYSA-N 1 2 265.360 3.461 20 30 CGEDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)ccc1F ZINC000030209661 344922409 /nfs/dbraw/zinc/92/24/09/344922409.db2.gz QNGPKQOTPCPDMB-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)ccc1F ZINC000030209661 344922413 /nfs/dbraw/zinc/92/24/13/344922413.db2.gz QNGPKQOTPCPDMB-UHFFFAOYSA-N 1 2 299.305 3.238 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000285611891 263094577 /nfs/dbraw/zinc/09/45/77/263094577.db2.gz CLFGUBCZHFXABW-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000285611891 263094578 /nfs/dbraw/zinc/09/45/78/263094578.db2.gz CLFGUBCZHFXABW-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029538683 344918215 /nfs/dbraw/zinc/91/82/15/344918215.db2.gz KGMFVXTWBPNKDB-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000029538683 344918218 /nfs/dbraw/zinc/91/82/18/344918218.db2.gz KGMFVXTWBPNKDB-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO CCCc1noc(C[N@@H+](CCC)Cc2ccc(C#N)cc2)n1 ZINC000047740083 345055289 /nfs/dbraw/zinc/05/52/89/345055289.db2.gz GEOSVCHHCINDEC-UHFFFAOYSA-N 1 2 298.390 3.306 20 30 CGEDLO CCCc1noc(C[N@H+](CCC)Cc2ccc(C#N)cc2)n1 ZINC000047740083 345055294 /nfs/dbraw/zinc/05/52/94/345055294.db2.gz GEOSVCHHCINDEC-UHFFFAOYSA-N 1 2 298.390 3.306 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)on1 ZINC000052008896 345095845 /nfs/dbraw/zinc/09/58/45/345095845.db2.gz UDJCQKNSYYFULV-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)on1 ZINC000052008896 345095848 /nfs/dbraw/zinc/09/58/48/345095848.db2.gz UDJCQKNSYYFULV-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)o1 ZINC000057875670 345189973 /nfs/dbraw/zinc/18/99/73/345189973.db2.gz YWYGFDJEPDIRRN-UHFFFAOYSA-N 1 2 287.388 3.447 20 30 CGEDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000066564113 345299693 /nfs/dbraw/zinc/29/96/93/345299693.db2.gz AASTYZQYLQFKKE-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncsc1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000066564113 345299695 /nfs/dbraw/zinc/29/96/95/345299695.db2.gz AASTYZQYLQFKKE-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000070142957 345388914 /nfs/dbraw/zinc/38/89/14/345388914.db2.gz NQXULZUUIMCUQX-UHFFFAOYSA-N 1 2 274.408 3.346 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000070142957 345388917 /nfs/dbraw/zinc/38/89/17/345388917.db2.gz NQXULZUUIMCUQX-UHFFFAOYSA-N 1 2 274.408 3.346 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccc2ccccc2c1 ZINC000081514166 345711716 /nfs/dbraw/zinc/71/17/16/345711716.db2.gz FFHOVGKSTDDJKD-UHFFFAOYSA-N 1 2 268.360 3.454 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccc2ccccc2c1 ZINC000081514166 345711718 /nfs/dbraw/zinc/71/17/18/345711718.db2.gz FFHOVGKSTDDJKD-UHFFFAOYSA-N 1 2 268.360 3.454 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084072119 345729013 /nfs/dbraw/zinc/72/90/13/345729013.db2.gz YKLRZMKAEFANME-LBPRGKRZSA-N 1 2 291.420 3.052 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000084072119 345729017 /nfs/dbraw/zinc/72/90/17/345729017.db2.gz YKLRZMKAEFANME-LBPRGKRZSA-N 1 2 291.420 3.052 20 30 CGEDLO CCOc1ccccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092128233 345831640 /nfs/dbraw/zinc/83/16/40/345831640.db2.gz KKBMGRDLJVSTSE-UHFFFAOYSA-N 1 2 292.342 3.217 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+](CC#N)C1CCCC1 ZINC000156618884 346159104 /nfs/dbraw/zinc/15/91/04/346159104.db2.gz SZWIRKHCRKRKON-ZBFHGGJFSA-N 1 2 264.413 3.350 20 30 CGEDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](CC#N)C1CCCC1 ZINC000156618884 346159108 /nfs/dbraw/zinc/15/91/08/346159108.db2.gz SZWIRKHCRKRKON-ZBFHGGJFSA-N 1 2 264.413 3.350 20 30 CGEDLO N#CC[N@@H+](CCOc1ccccc1Cl)C1CCCC1 ZINC000156741804 346159820 /nfs/dbraw/zinc/15/98/20/346159820.db2.gz SKPBQCSQXNFKPN-UHFFFAOYSA-N 1 2 278.783 3.487 20 30 CGEDLO N#CC[N@H+](CCOc1ccccc1Cl)C1CCCC1 ZINC000156741804 346159825 /nfs/dbraw/zinc/15/98/25/346159825.db2.gz SKPBQCSQXNFKPN-UHFFFAOYSA-N 1 2 278.783 3.487 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](Cc1cccc3c1NCC3)C2 ZINC000405050081 346601650 /nfs/dbraw/zinc/60/16/50/346601650.db2.gz JGSDIEMRQPJZEF-UHFFFAOYSA-N 1 2 275.355 3.042 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](Cc1cccc3c1NCC3)C2 ZINC000405050081 346601651 /nfs/dbraw/zinc/60/16/51/346601651.db2.gz JGSDIEMRQPJZEF-UHFFFAOYSA-N 1 2 275.355 3.042 20 30 CGEDLO CO[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000405126224 346602451 /nfs/dbraw/zinc/60/24/51/346602451.db2.gz ZANFBQUMRHHVKF-SFHVURJKSA-N 1 2 278.355 3.262 20 30 CGEDLO CO[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC000405126224 346602454 /nfs/dbraw/zinc/60/24/54/346602454.db2.gz ZANFBQUMRHHVKF-SFHVURJKSA-N 1 2 278.355 3.262 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000491623398 346629016 /nfs/dbraw/zinc/62/90/16/346629016.db2.gz FRUBZWVOYMEFIP-CQSZACIVSA-N 1 2 274.726 3.338 20 30 CGEDLO CC#CC[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000584709660 346708923 /nfs/dbraw/zinc/70/89/23/346708923.db2.gz RWAVRBUUCQFXIL-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC#CC[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000584709660 346708927 /nfs/dbraw/zinc/70/89/27/346708927.db2.gz RWAVRBUUCQFXIL-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C=CCCn1cc(CSCCc2cccc(C)[nH+]2)nn1 ZINC000594565011 347194340 /nfs/dbraw/zinc/19/43/40/347194340.db2.gz APBOUNXAAZYHBZ-UHFFFAOYSA-N 1 2 288.420 3.034 20 30 CGEDLO Cc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000594496337 347178746 /nfs/dbraw/zinc/17/87/46/347178746.db2.gz KFGALQZAXJIJGQ-UHFFFAOYSA-N 1 2 269.348 3.074 20 30 CGEDLO N#CCC[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000594501143 347180003 /nfs/dbraw/zinc/18/00/03/347180003.db2.gz IOJSOBPQMBYWPS-HZPDHXFCSA-N 1 2 280.375 3.353 20 30 CGEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnc(CC)[nH]1 ZINC000595289074 347287599 /nfs/dbraw/zinc/28/75/99/347287599.db2.gz DHCBMGHFTMLHGE-ZDUSSCGKSA-N 1 2 297.406 3.212 20 30 CGEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1nnc(CC)[nH]1 ZINC000595289074 347287603 /nfs/dbraw/zinc/28/76/03/347287603.db2.gz DHCBMGHFTMLHGE-ZDUSSCGKSA-N 1 2 297.406 3.212 20 30 CGEDLO CO[C@@H](C[N@H+](CCC#N)Cc1ccco1)C1CCCC1 ZINC000595333941 347294141 /nfs/dbraw/zinc/29/41/41/347294141.db2.gz PNFJRMJECIEMFA-INIZCTEOSA-N 1 2 276.380 3.200 20 30 CGEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1ccco1)C1CCCC1 ZINC000595333941 347294143 /nfs/dbraw/zinc/29/41/43/347294143.db2.gz PNFJRMJECIEMFA-INIZCTEOSA-N 1 2 276.380 3.200 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)nc1 ZINC000595699823 347341709 /nfs/dbraw/zinc/34/17/09/347341709.db2.gz AVCAVOLOZXBJJA-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)nc1 ZINC000595699823 347341711 /nfs/dbraw/zinc/34/17/11/347341711.db2.gz AVCAVOLOZXBJJA-INIZCTEOSA-N 1 2 267.307 3.039 20 30 CGEDLO C[N@H+](Cc1cc(F)ccc1OC(F)F)CC(C)(C)C#N ZINC000595499795 347312191 /nfs/dbraw/zinc/31/21/91/347312191.db2.gz GHAPYVRUAGOGCT-UHFFFAOYSA-N 1 2 286.297 3.409 20 30 CGEDLO C[N@@H+](Cc1cc(F)ccc1OC(F)F)CC(C)(C)C#N ZINC000595499795 347312192 /nfs/dbraw/zinc/31/21/92/347312192.db2.gz GHAPYVRUAGOGCT-UHFFFAOYSA-N 1 2 286.297 3.409 20 30 CGEDLO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)c1[nH]cc[nH+]1 ZINC000596240340 347403161 /nfs/dbraw/zinc/40/31/61/347403161.db2.gz WEUJMJROOOMKMR-SNVBAGLBSA-N 1 2 269.352 3.147 20 30 CGEDLO CC(C)Oc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840017 347365424 /nfs/dbraw/zinc/36/54/24/347365424.db2.gz NQEALWOQKDARQD-MRXNPFEDSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)Oc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840017 347365428 /nfs/dbraw/zinc/36/54/28/347365428.db2.gz NQEALWOQKDARQD-MRXNPFEDSA-N 1 2 258.365 3.209 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2c1 ZINC000595842679 347366677 /nfs/dbraw/zinc/36/66/77/347366677.db2.gz URTWOFCCLDUAGU-QGZVFWFLSA-N 1 2 265.360 3.279 20 30 CGEDLO Cc1ccc2ncc(C[N@H+]3CC[C@](C)(C#N)C3)cc2c1 ZINC000595842679 347366678 /nfs/dbraw/zinc/36/66/78/347366678.db2.gz URTWOFCCLDUAGU-QGZVFWFLSA-N 1 2 265.360 3.279 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595845263 347367208 /nfs/dbraw/zinc/36/72/08/347367208.db2.gz ZLKRVRUKABRMQT-ABAIWWIYSA-N 1 2 255.321 3.124 20 30 CGEDLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595845263 347367209 /nfs/dbraw/zinc/36/72/09/347367209.db2.gz ZLKRVRUKABRMQT-ABAIWWIYSA-N 1 2 255.321 3.124 20 30 CGEDLO Cc1cc(N2CCC[C@H]2C)c(C#N)c(N2CCC[C@@H]2C)[nH+]1 ZINC000596145882 347389605 /nfs/dbraw/zinc/38/96/05/347389605.db2.gz ZEICQKOPCKQOGM-KGLIPLIRSA-N 1 2 284.407 3.239 20 30 CGEDLO COc1cccc2c(N3CCC[C@H](CC#N)C3)cc[nH+]c12 ZINC000596329960 347419630 /nfs/dbraw/zinc/41/96/30/347419630.db2.gz NZRKQPSQHRZLDY-CYBMUJFWSA-N 1 2 281.359 3.373 20 30 CGEDLO Cc1c(Br)cncc1C[N@@H+](CCC#N)C(C)C ZINC000596988367 347524420 /nfs/dbraw/zinc/52/44/20/347524420.db2.gz VCMOWTAREFPCNH-UHFFFAOYSA-N 1 2 296.212 3.277 20 30 CGEDLO Cc1c(Br)cncc1C[N@H+](CCC#N)C(C)C ZINC000596988367 347524422 /nfs/dbraw/zinc/52/44/22/347524422.db2.gz VCMOWTAREFPCNH-UHFFFAOYSA-N 1 2 296.212 3.277 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000597084217 347534805 /nfs/dbraw/zinc/53/48/05/347534805.db2.gz MIZMNBVSIXFXIU-UHFFFAOYSA-N 1 2 268.282 3.230 20 30 CGEDLO Cc1cccn2c(NC(=O)[C@]3(C#N)CC34CCCC4)c[nH+]c12 ZINC000598263451 347638298 /nfs/dbraw/zinc/63/82/98/347638298.db2.gz TXOZAGRFXJDRAZ-QGZVFWFLSA-N 1 2 294.358 3.055 20 30 CGEDLO Cc1cn2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2[nH+]1 ZINC000598469817 347661164 /nfs/dbraw/zinc/66/11/64/347661164.db2.gz UGAGFJZLHJRQIF-KRWDZBQOSA-N 1 2 294.358 3.055 20 30 CGEDLO CC[N@H+](Cc1nc(C)c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600107099 347779506 /nfs/dbraw/zinc/77/95/06/347779506.db2.gz LOUVQWDMZDXCIO-ZDUSSCGKSA-N 1 2 268.364 3.173 20 30 CGEDLO CC[N@@H+](Cc1nc(C)c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600107099 347779508 /nfs/dbraw/zinc/77/95/08/347779508.db2.gz LOUVQWDMZDXCIO-ZDUSSCGKSA-N 1 2 268.364 3.173 20 30 CGEDLO CCC[N@H+](Cc1nc(C)c[nH]1)Cc1ccc(C#N)cc1 ZINC000600108478 347780445 /nfs/dbraw/zinc/78/04/45/347780445.db2.gz XWDXUGZNCHVHND-UHFFFAOYSA-N 1 2 268.364 3.002 20 30 CGEDLO CCC[N@@H+](Cc1nc(C)c[nH]1)Cc1ccc(C#N)cc1 ZINC000600108478 347780449 /nfs/dbraw/zinc/78/04/49/347780449.db2.gz XWDXUGZNCHVHND-UHFFFAOYSA-N 1 2 268.364 3.002 20 30 CGEDLO C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@@H](C)C1(F)F ZINC000599514230 347749306 /nfs/dbraw/zinc/74/93/06/347749306.db2.gz VUVOORIXVZZQBG-GHMZBOCLSA-N 1 2 282.309 3.420 20 30 CGEDLO N#Cc1cc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)ccc1F ZINC000600781666 347835354 /nfs/dbraw/zinc/83/53/54/347835354.db2.gz HJPCKUSRNXEWEH-HNNXBMFYSA-N 1 2 297.333 3.350 20 30 CGEDLO CN(c1nc2ccccc2n2c[nH+]cc12)[C@@H]1CCC[C@@H]1C#N ZINC000601233568 347883608 /nfs/dbraw/zinc/88/36/08/347883608.db2.gz MUVXRHONXGCGIA-TZMCWYRMSA-N 1 2 291.358 3.011 20 30 CGEDLO N#Cc1cccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)n1 ZINC000602442355 347959462 /nfs/dbraw/zinc/95/94/62/347959462.db2.gz XCPFTHODAIQGLJ-UHFFFAOYSA-N 1 2 299.324 3.396 20 30 CGEDLO N#Cc1cccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)n1 ZINC000602442355 347959465 /nfs/dbraw/zinc/95/94/65/347959465.db2.gz XCPFTHODAIQGLJ-UHFFFAOYSA-N 1 2 299.324 3.396 20 30 CGEDLO Cc1cnnn1-c1ccc([NH2+]C2CCC(C#N)CC2)cc1 ZINC000602700805 348012804 /nfs/dbraw/zinc/01/28/04/348012804.db2.gz ONBFMIIMUBQHRH-UHFFFAOYSA-N 1 2 281.363 3.070 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC3(CCSCC3)CC2)n1 ZINC000602738092 348021896 /nfs/dbraw/zinc/02/18/96/348021896.db2.gz ZGFRRMIXXWWZBQ-UHFFFAOYSA-N 1 2 293.461 3.124 20 30 CGEDLO Cc1cc[nH+]cc1Cn1cc(CC2(C#N)CCCCC2)nn1 ZINC000603230051 348065547 /nfs/dbraw/zinc/06/55/47/348065547.db2.gz RDAGLJVCJQUGKG-UHFFFAOYSA-N 1 2 295.390 3.046 20 30 CGEDLO Cc1cc(C)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(C)n1 ZINC000602805304 348031193 /nfs/dbraw/zinc/03/11/93/348031193.db2.gz OOSKHOZTTTZGLN-INIZCTEOSA-N 1 2 257.381 3.133 20 30 CGEDLO Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(C#N)C2)c(C)n1 ZINC000602805304 348031197 /nfs/dbraw/zinc/03/11/97/348031197.db2.gz OOSKHOZTTTZGLN-INIZCTEOSA-N 1 2 257.381 3.133 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000602861227 348037611 /nfs/dbraw/zinc/03/76/11/348037611.db2.gz GFQCPFCCKRPAKG-QMMMGPOBSA-N 1 2 283.162 3.033 20 30 CGEDLO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602865081 348038256 /nfs/dbraw/zinc/03/82/56/348038256.db2.gz WDIAXEUGTYHWIA-CHWSQXEVSA-N 1 2 273.380 3.030 20 30 CGEDLO N#Cc1ccc(Cl)cc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276407 348370697 /nfs/dbraw/zinc/37/06/97/348370697.db2.gz UEISLZZFJBGEEL-CQSZACIVSA-N 1 2 286.766 3.250 20 30 CGEDLO N#Cc1cc(C[NH+](Cc2ccco2)Cc2ccco2)ccn1 ZINC000610995372 348417465 /nfs/dbraw/zinc/41/74/65/348417465.db2.gz ZCGLWBKWFUNSJG-UHFFFAOYSA-N 1 2 293.326 3.342 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612164980 348499488 /nfs/dbraw/zinc/49/94/88/348499488.db2.gz KCJCWCHBUPQXMY-QAPCUYQASA-N 1 2 299.418 3.054 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612164980 348499491 /nfs/dbraw/zinc/49/94/91/348499491.db2.gz KCJCWCHBUPQXMY-QAPCUYQASA-N 1 2 299.418 3.054 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000614397715 348673192 /nfs/dbraw/zinc/67/31/92/348673192.db2.gz UKRYVCKCNRWRPP-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2C)no1 ZINC000614397715 348673194 /nfs/dbraw/zinc/67/31/94/348673194.db2.gz UKRYVCKCNRWRPP-MRXNPFEDSA-N 1 2 296.374 3.285 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000614403432 348673916 /nfs/dbraw/zinc/67/39/16/348673916.db2.gz XTGSIZFGKQQXPR-ZDUSSCGKSA-N 1 2 250.292 3.096 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(F)F ZINC000614403432 348673918 /nfs/dbraw/zinc/67/39/18/348673918.db2.gz XTGSIZFGKQQXPR-ZDUSSCGKSA-N 1 2 250.292 3.096 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1Cl ZINC000614489580 348680476 /nfs/dbraw/zinc/68/04/76/348680476.db2.gz DZMWXKSZBYKNCL-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000614916182 348700246 /nfs/dbraw/zinc/70/02/46/348700246.db2.gz WDMROOOHERXYSP-UWVGGRQHSA-N 1 2 278.306 3.384 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)ccn1 ZINC000616749748 348876562 /nfs/dbraw/zinc/87/65/62/348876562.db2.gz NARUFFMMGKKQIM-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)ccn1 ZINC000616749748 348876564 /nfs/dbraw/zinc/87/65/64/348876564.db2.gz NARUFFMMGKKQIM-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO Cc1ccc(COc2cc(C#N)ccc2C)c(C)[nH+]1 ZINC000358680233 233177721 /nfs/dbraw/zinc/17/77/21/233177721.db2.gz JETOHSOCMCLUFK-UHFFFAOYSA-N 1 2 252.317 3.458 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000619071111 349200983 /nfs/dbraw/zinc/20/09/83/349200983.db2.gz LZECFIPIUBSPEB-GFCCVEGCSA-N 1 2 253.349 3.292 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000619071111 349200986 /nfs/dbraw/zinc/20/09/86/349200986.db2.gz LZECFIPIUBSPEB-GFCCVEGCSA-N 1 2 253.349 3.292 20 30 CGEDLO C=CCC1(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC000619104422 349203429 /nfs/dbraw/zinc/20/34/29/349203429.db2.gz LKWOXHKFIQMMFZ-UHFFFAOYSA-N 1 2 297.402 3.190 20 30 CGEDLO C=C[C@@H]([NH2+]CC(C)(C)Cc1cccc(Cl)c1)C(=O)OC ZINC000619702458 349277252 /nfs/dbraw/zinc/27/72/52/349277252.db2.gz MZLQNNYECXMAEP-CQSZACIVSA-N 1 2 295.810 3.226 20 30 CGEDLO C=CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CC1 ZINC000271368497 191099974 /nfs/dbraw/zinc/09/99/74/191099974.db2.gz GMDSIMVBKBEQNK-UHFFFAOYSA-N 1 2 289.404 3.164 20 30 CGEDLO C=CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C1CC1 ZINC000271368497 191099976 /nfs/dbraw/zinc/09/99/76/191099976.db2.gz GMDSIMVBKBEQNK-UHFFFAOYSA-N 1 2 289.404 3.164 20 30 CGEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](F)C2)cc1OC ZINC000628298436 350484868 /nfs/dbraw/zinc/48/48/68/350484868.db2.gz FPTLNRIZAXNRBT-LBPRGKRZSA-N 1 2 299.773 3.457 20 30 CGEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](F)C2)cc1OC ZINC000628298436 350484870 /nfs/dbraw/zinc/48/48/70/350484870.db2.gz FPTLNRIZAXNRBT-LBPRGKRZSA-N 1 2 299.773 3.457 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CC1 ZINC000271377110 191106124 /nfs/dbraw/zinc/10/61/24/191106124.db2.gz HTZSUIQSLMRMEO-UHFFFAOYSA-N 1 2 291.301 3.165 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CC1 ZINC000271377110 191106127 /nfs/dbraw/zinc/10/61/27/191106127.db2.gz HTZSUIQSLMRMEO-UHFFFAOYSA-N 1 2 291.301 3.165 20 30 CGEDLO C=CC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000628406086 350529315 /nfs/dbraw/zinc/52/93/15/350529315.db2.gz BKPDIOFQDAIFFP-JTQLQIEISA-N 1 2 299.187 3.381 20 30 CGEDLO C=CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000628406086 350529319 /nfs/dbraw/zinc/52/93/19/350529319.db2.gz BKPDIOFQDAIFFP-JTQLQIEISA-N 1 2 299.187 3.381 20 30 CGEDLO C=C1CC(C)(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000630735358 350880968 /nfs/dbraw/zinc/88/09/68/350880968.db2.gz MUONXMDCLWTJPN-UHFFFAOYSA-N 1 2 297.402 3.207 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000336518324 213397467 /nfs/dbraw/zinc/39/74/67/213397467.db2.gz OOFDXLUHQOMOLE-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000336518324 213397469 /nfs/dbraw/zinc/39/74/69/213397469.db2.gz OOFDXLUHQOMOLE-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)on1 ZINC000336517089 213395386 /nfs/dbraw/zinc/39/53/86/213395386.db2.gz YMUFQCLSAGLRKX-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)on1 ZINC000336517089 213395389 /nfs/dbraw/zinc/39/53/89/213395389.db2.gz YMUFQCLSAGLRKX-OAHLLOKOSA-N 1 2 285.322 3.331 20 30 CGEDLO FC(F)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000634757177 351584433 /nfs/dbraw/zinc/58/44/33/351584433.db2.gz MXBIMILBCLWITF-CQSZACIVSA-N 1 2 299.748 3.048 20 30 CGEDLO FC(F)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000634757177 351584437 /nfs/dbraw/zinc/58/44/37/351584437.db2.gz MXBIMILBCLWITF-CQSZACIVSA-N 1 2 299.748 3.048 20 30 CGEDLO C=CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000636140546 351724696 /nfs/dbraw/zinc/72/46/96/351724696.db2.gz XZLFXQGOPDRFEZ-HNNXBMFYSA-N 1 2 277.412 3.333 20 30 CGEDLO CCCCc1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000271631398 191249256 /nfs/dbraw/zinc/24/92/56/191249256.db2.gz FPDLXBJMWUEFFB-LBPRGKRZSA-N 1 2 284.363 3.135 20 30 CGEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000292322007 198243718 /nfs/dbraw/zinc/24/37/18/198243718.db2.gz SZBARIINANWNET-ZDUSSCGKSA-N 1 2 298.308 3.100 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](C(F)(F)F)O1 ZINC000292322007 198243720 /nfs/dbraw/zinc/24/37/20/198243720.db2.gz SZBARIINANWNET-ZDUSSCGKSA-N 1 2 298.308 3.100 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000158516508 188379754 /nfs/dbraw/zinc/37/97/54/188379754.db2.gz JCAAAJORAZEEMH-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000158516508 188379755 /nfs/dbraw/zinc/37/97/55/188379755.db2.gz JCAAAJORAZEEMH-INIZCTEOSA-N 1 2 269.323 3.363 20 30 CGEDLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc(C#N)cc1 ZINC000271690828 191279501 /nfs/dbraw/zinc/27/95/01/191279501.db2.gz RJDZXCHEDJYQOT-LLVKDONJSA-N 1 2 267.332 3.274 20 30 CGEDLO C#Cc1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000175322940 188945304 /nfs/dbraw/zinc/94/53/04/188945304.db2.gz CVWJICQVQMAUDM-HNNXBMFYSA-N 1 2 294.358 3.150 20 30 CGEDLO Cc1cc(N(C)C[C@@H]2OCCc3ccccc32)c(C#N)c[nH+]1 ZINC000425219993 236221109 /nfs/dbraw/zinc/22/11/09/236221109.db2.gz CPBRDDYWSPYQDT-SFHVURJKSA-N 1 2 293.370 3.012 20 30 CGEDLO COc1ccc([C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1F ZINC000425237749 236221796 /nfs/dbraw/zinc/22/17/96/236221796.db2.gz SYZANDIYCLFTJE-NSHDSACASA-N 1 2 285.322 3.004 20 30 CGEDLO Cc1cc(N2CCC[C@@H](c3nccs3)C2)c(C#N)c[nH+]1 ZINC000425232148 236222219 /nfs/dbraw/zinc/22/22/19/236222219.db2.gz WGHQMRISHQEKQQ-GFCCVEGCSA-N 1 2 284.388 3.102 20 30 CGEDLO COc1cccc(C2([NH2+]Cc3cccc(F)c3C#N)CC2)c1 ZINC000428323091 236393252 /nfs/dbraw/zinc/39/32/52/236393252.db2.gz IXPARONCFGBOED-UHFFFAOYSA-N 1 2 296.345 3.485 20 30 CGEDLO Cc1nsc(NCCCc2[nH+]cccc2C)c1C#N ZINC000294906843 199242699 /nfs/dbraw/zinc/24/26/99/199242699.db2.gz FHPHXVJLMXMIGE-UHFFFAOYSA-N 1 2 272.377 3.071 20 30 CGEDLO CC[N@H+](Cc1cc(COC)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000297664041 200256418 /nfs/dbraw/zinc/25/64/18/200256418.db2.gz JSMSNUGPYQDXMO-CYBMUJFWSA-N 1 2 299.374 3.276 20 30 CGEDLO CC[N@@H+](Cc1cc(COC)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000297664041 200256419 /nfs/dbraw/zinc/25/64/19/200256419.db2.gz JSMSNUGPYQDXMO-CYBMUJFWSA-N 1 2 299.374 3.276 20 30 CGEDLO Cc1cccn2c(CNc3ccccc3C#N)c[nH+]c12 ZINC000438923759 238217540 /nfs/dbraw/zinc/21/75/40/238217540.db2.gz APEDCILZYUHWDJ-UHFFFAOYSA-N 1 2 262.316 3.127 20 30 CGEDLO CC(C)(C)c1nc(NCc2cccc(C#N)c2)cc[nH+]1 ZINC000301538394 201056077 /nfs/dbraw/zinc/05/60/77/201056077.db2.gz RJXVNHBTPGLIFK-UHFFFAOYSA-N 1 2 266.348 3.258 20 30 CGEDLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000301820168 201217086 /nfs/dbraw/zinc/21/70/86/201217086.db2.gz JFZLQMJUARMZHD-LBPRGKRZSA-N 1 2 293.374 3.343 20 30 CGEDLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000301820168 201217088 /nfs/dbraw/zinc/21/70/88/201217088.db2.gz JFZLQMJUARMZHD-LBPRGKRZSA-N 1 2 293.374 3.343 20 30 CGEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc(C#N)nn1 ZINC000301947095 201272917 /nfs/dbraw/zinc/27/29/17/201272917.db2.gz XWJMDSDVKPKDPE-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3cnc(C#N)cn3)cc2)CC1 ZINC000120762902 370797899 /nfs/dbraw/zinc/79/78/99/370797899.db2.gz LULPVFIAYXKFFA-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO C=CC[N@@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000121415063 370859945 /nfs/dbraw/zinc/85/99/45/370859945.db2.gz PJSWCKUHXQXHSP-LLVKDONJSA-N 1 2 291.782 3.493 20 30 CGEDLO C=CC[N@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000121415063 370859950 /nfs/dbraw/zinc/85/99/50/370859950.db2.gz PJSWCKUHXQXHSP-LLVKDONJSA-N 1 2 291.782 3.493 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(OC(F)F)c1 ZINC000123684493 370914208 /nfs/dbraw/zinc/91/42/08/370914208.db2.gz WSBGBSCSHYNGIR-UHFFFAOYSA-N 1 2 296.317 3.032 20 30 CGEDLO N#Cc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000036939944 369041612 /nfs/dbraw/zinc/04/16/12/369041612.db2.gz UBXYFGKYNWMKGB-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO C[N@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000042316441 369213194 /nfs/dbraw/zinc/21/31/94/369213194.db2.gz GJQZBBKHVPTPNN-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000042316441 369213199 /nfs/dbraw/zinc/21/31/99/369213199.db2.gz GJQZBBKHVPTPNN-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO CC(C)CCc1nc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000061040310 369595857 /nfs/dbraw/zinc/59/58/57/369595857.db2.gz HGRCCNCYDMURQS-UHFFFAOYSA-N 1 2 277.437 3.467 20 30 CGEDLO CCC(CC)CN(CCC#N)Cc1[nH+]ccn1CC ZINC000072692819 369834677 /nfs/dbraw/zinc/83/46/77/369834677.db2.gz XTTFUKMQSKEUNG-UHFFFAOYSA-N 1 2 262.401 3.055 20 30 CGEDLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000075645714 369915832 /nfs/dbraw/zinc/91/58/32/369915832.db2.gz SJTZLPMKARJTOI-CYBMUJFWSA-N 1 2 269.348 3.438 20 30 CGEDLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000075645714 369915835 /nfs/dbraw/zinc/91/58/35/369915835.db2.gz SJTZLPMKARJTOI-CYBMUJFWSA-N 1 2 269.348 3.438 20 30 CGEDLO CC(C)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090807 370108312 /nfs/dbraw/zinc/10/83/12/370108312.db2.gz MUBZSRLFLUEGPC-GFCCVEGCSA-N 1 2 275.352 3.452 20 30 CGEDLO CC(C)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000093090807 370108316 /nfs/dbraw/zinc/10/83/16/370108316.db2.gz MUBZSRLFLUEGPC-GFCCVEGCSA-N 1 2 275.352 3.452 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000109811977 370366040 /nfs/dbraw/zinc/36/60/40/370366040.db2.gz AKNBXDDAAOHINR-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000109811977 370366046 /nfs/dbraw/zinc/36/60/46/370366046.db2.gz AKNBXDDAAOHINR-UHFFFAOYSA-N 1 2 275.352 3.357 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000111250626 370394263 /nfs/dbraw/zinc/39/42/63/370394263.db2.gz NSIGDRWLGKKDSF-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(C#N)ccc1F ZINC000111250626 370394271 /nfs/dbraw/zinc/39/42/71/370394271.db2.gz NSIGDRWLGKKDSF-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112632947 370438400 /nfs/dbraw/zinc/43/84/00/370438400.db2.gz VRABCRSVRVJVKA-KRWDZBQOSA-N 1 2 295.342 3.296 20 30 CGEDLO C=CCC[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000129688791 370998011 /nfs/dbraw/zinc/99/80/11/370998011.db2.gz HMRCEOJGTXGZNF-LBPRGKRZSA-N 1 2 296.296 3.079 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135113108 371391571 /nfs/dbraw/zinc/39/15/71/371391571.db2.gz SOYNRCCUKLNZDU-GJZGRUSLSA-N 1 2 283.400 3.415 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000135113108 371391575 /nfs/dbraw/zinc/39/15/75/371391575.db2.gz SOYNRCCUKLNZDU-GJZGRUSLSA-N 1 2 283.400 3.415 20 30 CGEDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135151511 371395942 /nfs/dbraw/zinc/39/59/42/371395942.db2.gz LUZJKEKJLJPYDE-JTQLQIEISA-N 1 2 274.295 3.150 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cscc1Br ZINC000289675157 371789280 /nfs/dbraw/zinc/78/92/80/371789280.db2.gz MNRVFGLRRJKKMP-VIFPVBQESA-N 1 2 273.199 3.292 20 30 CGEDLO C[C@H]1OCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000156031113 371958680 /nfs/dbraw/zinc/95/86/80/371958680.db2.gz VYDUNQGBEGVFHC-QWHCGFSZSA-N 1 2 297.320 3.166 20 30 CGEDLO C[C@H]1OCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000156031113 371958689 /nfs/dbraw/zinc/95/86/89/371958689.db2.gz VYDUNQGBEGVFHC-QWHCGFSZSA-N 1 2 297.320 3.166 20 30 CGEDLO C#CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C1CCCC1 ZINC000155779834 371945421 /nfs/dbraw/zinc/94/54/21/371945421.db2.gz JEZIIVGJCPSFSN-GFCCVEGCSA-N 1 2 278.421 3.228 20 30 CGEDLO C#CC[N@H+](Cc1csc([C@@H](C)OC)n1)C1CCCC1 ZINC000155779834 371945427 /nfs/dbraw/zinc/94/54/27/371945427.db2.gz JEZIIVGJCPSFSN-GFCCVEGCSA-N 1 2 278.421 3.228 20 30 CGEDLO CC(C)n1c[nH+]cc1CN(CCC#N)CC(C)(C)C ZINC000425338466 372122568 /nfs/dbraw/zinc/12/25/68/372122568.db2.gz PSZCVQNYDCXYFP-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000424810740 372101963 /nfs/dbraw/zinc/10/19/63/372101963.db2.gz XZESPMGGFIDTFV-UHFFFAOYSA-N 1 2 291.439 3.286 20 30 CGEDLO CC(C)(CCC#N)C[N@H+](CCC#N)Cc1ccco1 ZINC000159633201 372162224 /nfs/dbraw/zinc/16/22/24/372162224.db2.gz XPJMPYFABOUOKQ-UHFFFAOYSA-N 1 2 259.353 3.325 20 30 CGEDLO CC(C)(CCC#N)C[N@@H+](CCC#N)Cc1ccco1 ZINC000159633201 372162229 /nfs/dbraw/zinc/16/22/29/372162229.db2.gz XPJMPYFABOUOKQ-UHFFFAOYSA-N 1 2 259.353 3.325 20 30 CGEDLO CC(C)O[C@@H](C[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000428209266 372182184 /nfs/dbraw/zinc/18/21/84/372182184.db2.gz GGLWVJWYMGARED-HOCLYGCPSA-N 1 2 260.381 3.387 20 30 CGEDLO CC(C)O[C@@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000428209266 372182192 /nfs/dbraw/zinc/18/21/92/372182192.db2.gz GGLWVJWYMGARED-HOCLYGCPSA-N 1 2 260.381 3.387 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@H](CCOC)c1ccccc1 ZINC000428852256 372269742 /nfs/dbraw/zinc/26/97/42/372269742.db2.gz SOZAOUKLTPDLMX-MRXNPFEDSA-N 1 2 258.365 3.166 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@H](CCOC)c1ccccc1 ZINC000428852256 372269748 /nfs/dbraw/zinc/26/97/48/372269748.db2.gz SOZAOUKLTPDLMX-MRXNPFEDSA-N 1 2 258.365 3.166 20 30 CGEDLO CCOC(=O)C(CC)(CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000429295639 372345881 /nfs/dbraw/zinc/34/58/81/372345881.db2.gz VFHAWAPGXSYPED-UHFFFAOYSA-N 1 2 288.391 3.078 20 30 CGEDLO CCCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000442840588 373100648 /nfs/dbraw/zinc/10/06/48/373100648.db2.gz LYGABFWYXQLFQM-MCIONIFRSA-N 1 2 280.412 3.169 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000173847945 373200642 /nfs/dbraw/zinc/20/06/42/373200642.db2.gz GMYJTZYOZXEXHV-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000173847945 373200657 /nfs/dbraw/zinc/20/06/57/373200657.db2.gz GMYJTZYOZXEXHV-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO Cc1cccc2[nH+]cc(CN3CCCC(C)(C)[C@@H]3C#N)n21 ZINC000446974800 373389570 /nfs/dbraw/zinc/38/95/70/373389570.db2.gz LVJOWONVELWMCM-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO CC[N@@H+](c1ccc(Nc2nccnc2C#N)cc1)C(C)C ZINC000301160781 373678906 /nfs/dbraw/zinc/67/89/06/373678906.db2.gz HDWMJTGBDLBNFL-UHFFFAOYSA-N 1 2 281.363 3.327 20 30 CGEDLO CC[N@H+](c1ccc(Nc2nccnc2C#N)cc1)C(C)C ZINC000301160781 373678914 /nfs/dbraw/zinc/67/89/14/373678914.db2.gz HDWMJTGBDLBNFL-UHFFFAOYSA-N 1 2 281.363 3.327 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(=O)OCC ZINC000449659131 373837551 /nfs/dbraw/zinc/83/75/51/373837551.db2.gz VBKAXKDIEDBZQF-MELADBBJSA-N 1 2 285.453 3.004 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180075648 373964602 /nfs/dbraw/zinc/96/46/02/373964602.db2.gz GQYDYYAYSJPNFH-ZDUSSCGKSA-N 1 2 288.391 3.376 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180075648 373964609 /nfs/dbraw/zinc/96/46/09/373964609.db2.gz GQYDYYAYSJPNFH-ZDUSSCGKSA-N 1 2 288.391 3.376 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)ccc1F ZINC000179775133 373914373 /nfs/dbraw/zinc/91/43/73/373914373.db2.gz ISIRPRWNMNJARU-XHDPSFHLSA-N 1 2 277.318 3.449 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000180445668 374009175 /nfs/dbraw/zinc/00/91/75/374009175.db2.gz PFBOTRHYSUSTPQ-LLVKDONJSA-N 1 2 299.305 3.456 20 30 CGEDLO C=CCC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1 ZINC000450057999 373985089 /nfs/dbraw/zinc/98/50/89/373985089.db2.gz BHBOAINZNNLJFU-UHFFFAOYSA-N 1 2 287.407 3.252 20 30 CGEDLO C=CCC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1 ZINC000450057999 373985095 /nfs/dbraw/zinc/98/50/95/373985095.db2.gz BHBOAINZNNLJFU-UHFFFAOYSA-N 1 2 287.407 3.252 20 30 CGEDLO CC(C)(C)OC(=O)[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000180274837 373986566 /nfs/dbraw/zinc/98/65/66/373986566.db2.gz WSUSIROFYJAOOK-HNNXBMFYSA-N 1 2 288.391 3.353 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](CC2(C#N)CCC2)[C@H](C)CO1 ZINC000450442062 374133623 /nfs/dbraw/zinc/13/36/23/374133623.db2.gz SFDDIGXIMWXDEM-NVXWUHKLSA-N 1 2 284.403 3.451 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)CO1 ZINC000450442062 374133628 /nfs/dbraw/zinc/13/36/28/374133628.db2.gz SFDDIGXIMWXDEM-NVXWUHKLSA-N 1 2 284.403 3.451 20 30 CGEDLO Cc1cc(C#N)cc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000308105067 374160942 /nfs/dbraw/zinc/16/09/42/374160942.db2.gz LRCLNJRIEHOTCY-UHFFFAOYSA-N 1 2 292.386 3.343 20 30 CGEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CC1(C#N)CCC1 ZINC000450643248 374168053 /nfs/dbraw/zinc/16/80/53/374168053.db2.gz QUPLZSGGGJBZFE-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CC1(C#N)CCC1 ZINC000450643248 374168059 /nfs/dbraw/zinc/16/80/59/374168059.db2.gz QUPLZSGGGJBZFE-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000309508662 374185763 /nfs/dbraw/zinc/18/57/63/374185763.db2.gz OFJFMXGGOMPDCR-UHFFFAOYSA-N 1 2 255.148 3.387 20 30 CGEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184153229 374498772 /nfs/dbraw/zinc/49/87/72/374498772.db2.gz YEBKTSVANCXUSO-NSHDSACASA-N 1 2 287.388 3.183 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CCO1 ZINC000185749066 374728727 /nfs/dbraw/zinc/72/87/27/374728727.db2.gz QWUOBPLPLAMDNY-HLLBOEOZSA-N 1 2 299.418 3.406 20 30 CGEDLO N#CC1CC[NH+](Cc2cscc2Br)CC1 ZINC000334421096 374736393 /nfs/dbraw/zinc/73/63/93/374736393.db2.gz QXQPGFNTAUAFGA-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO Cc1ccc(CSc2cc(C#N)ccn2)c(C)[nH+]1 ZINC000186589103 374882668 /nfs/dbraw/zinc/88/26/68/374882668.db2.gz ONUIQMIGQXZHDP-UHFFFAOYSA-N 1 2 255.346 3.257 20 30 CGEDLO Cc1ccc(C[S@@](=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000187214720 374988681 /nfs/dbraw/zinc/98/86/81/374988681.db2.gz FCXQTAHHMOHVRM-FQEVSTJZSA-N 1 2 284.384 3.019 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nnnn1C1CCCCC1 ZINC000188670618 375249948 /nfs/dbraw/zinc/24/99/48/375249948.db2.gz PLBAHLWRQZKSHF-CYBMUJFWSA-N 1 2 277.416 3.137 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nnnn1C1CCCCC1 ZINC000188670618 375249955 /nfs/dbraw/zinc/24/99/55/375249955.db2.gz PLBAHLWRQZKSHF-CYBMUJFWSA-N 1 2 277.416 3.137 20 30 CGEDLO C[C@H]1C[N@H+](CCSc2ccc(C#N)cc2Cl)CCO1 ZINC000188324222 375196676 /nfs/dbraw/zinc/19/66/76/375196676.db2.gz VRFZPLNXBBRQGX-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO C[C@H]1C[N@@H+](CCSc2ccc(C#N)cc2Cl)CCO1 ZINC000188324222 375196682 /nfs/dbraw/zinc/19/66/82/375196682.db2.gz VRFZPLNXBBRQGX-NSHDSACASA-N 1 2 296.823 3.024 20 30 CGEDLO Cn1cc(C[N@@H+]2CCc3ccc(Cl)cc3C2)cc1C#N ZINC000191427834 375627542 /nfs/dbraw/zinc/62/75/42/375627542.db2.gz DUXTZTGOGSLOJP-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO Cn1cc(C[N@H+]2CCc3ccc(Cl)cc3C2)cc1C#N ZINC000191427834 375627546 /nfs/dbraw/zinc/62/75/46/375627546.db2.gz DUXTZTGOGSLOJP-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO C=C(C)COCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000498800485 375629071 /nfs/dbraw/zinc/62/90/71/375629071.db2.gz NRYRWWCUVIZOMF-OAHLLOKOSA-N 1 2 283.362 3.435 20 30 CGEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000336244778 375763023 /nfs/dbraw/zinc/76/30/23/375763023.db2.gz XXGSFRCBXGVSJU-BTDLBPIBSA-N 1 2 294.358 3.319 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cccnc1C(F)(F)F)C1CC1 ZINC000528424164 375901768 /nfs/dbraw/zinc/90/17/68/375901768.db2.gz XTLSHKKBVVUMJY-JTQLQIEISA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cccnc1C(F)(F)F)C1CC1 ZINC000528424164 375901773 /nfs/dbraw/zinc/90/17/73/375901773.db2.gz XTLSHKKBVVUMJY-JTQLQIEISA-N 1 2 283.297 3.224 20 30 CGEDLO Cc1ccc(C(=O)NC(C)(C)C#N)cc1Oc1cc[nH+]cc1 ZINC000540972705 376410441 /nfs/dbraw/zinc/41/04/41/376410441.db2.gz BTVOVJVPBZFAMO-UHFFFAOYSA-N 1 2 295.342 3.214 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000264506875 190114712 /nfs/dbraw/zinc/11/47/12/190114712.db2.gz WRGBXXKWIIDFBJ-LBPRGKRZSA-N 1 2 278.783 3.319 20 30 CGEDLO COc1cc2c(cc1Cl)C[N@H+](CCCC#N)CC2 ZINC000339735539 376830004 /nfs/dbraw/zinc/83/00/04/376830004.db2.gz OEYGRZWXXQJOCD-UHFFFAOYSA-N 1 2 264.756 3.010 20 30 CGEDLO COc1cc2c(cc1Cl)C[N@@H+](CCCC#N)CC2 ZINC000339735539 376830010 /nfs/dbraw/zinc/83/00/10/376830010.db2.gz OEYGRZWXXQJOCD-UHFFFAOYSA-N 1 2 264.756 3.010 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](c2ccccc2)CO1 ZINC000245765026 376903199 /nfs/dbraw/zinc/90/31/99/376903199.db2.gz QMKLCXWDUHWNIC-SUMWQHHRSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](c2ccccc2)CO1 ZINC000245765026 376903204 /nfs/dbraw/zinc/90/32/04/376903204.db2.gz QMKLCXWDUHWNIC-SUMWQHHRSA-N 1 2 282.343 3.113 20 30 CGEDLO N#CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000562990307 377383840 /nfs/dbraw/zinc/38/38/40/377383840.db2.gz BOZKFWPZWYVLPW-GFCCVEGCSA-N 1 2 250.729 3.057 20 30 CGEDLO Cc1ccc[nH+]c1CCc1noc(C2(C#N)CCCCC2)n1 ZINC000570253031 377534945 /nfs/dbraw/zinc/53/49/45/377534945.db2.gz FEGVNUBJIBOLMJ-UHFFFAOYSA-N 1 2 296.374 3.284 20 30 CGEDLO N#Cc1c(NCCCn2cc[nH+]c2)cccc1C(F)F ZINC000514696999 249185429 /nfs/dbraw/zinc/18/54/29/249185429.db2.gz UETRXYMIUAHBHO-UHFFFAOYSA-N 1 2 276.290 3.195 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC1(C#N)CC1 ZINC000343239106 377937366 /nfs/dbraw/zinc/93/73/66/377937366.db2.gz PPBKUNROWHUKAO-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000343239106 377937371 /nfs/dbraw/zinc/93/73/71/377937371.db2.gz PPBKUNROWHUKAO-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000264442832 377985803 /nfs/dbraw/zinc/98/58/03/377985803.db2.gz GJDKFYBAQJJSNP-CYBMUJFWSA-N 1 2 276.355 3.113 20 30 CGEDLO Cc1[nH+]c(-c2ccncc2)nc(NCCCCC#N)c1C ZINC000264982003 377995787 /nfs/dbraw/zinc/99/57/87/377995787.db2.gz RFHZACSBSMBXAR-UHFFFAOYSA-N 1 2 281.363 3.261 20 30 CGEDLO C[C@@H](CC#N)Sc1ccccc1NCc1c[nH+]cn1C ZINC000268501489 378068038 /nfs/dbraw/zinc/06/80/38/378068038.db2.gz XMQIHKMIXWZQIJ-LBPRGKRZSA-N 1 2 286.404 3.426 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000580842069 378262651 /nfs/dbraw/zinc/26/26/51/378262651.db2.gz VHYSXLUMVMHUAZ-RYUDHWBXSA-N 1 2 293.798 3.257 20 30 CGEDLO C=CCOc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000583875689 378355963 /nfs/dbraw/zinc/35/59/63/378355963.db2.gz QEHZIMUTMBUKME-CYBMUJFWSA-N 1 2 285.347 3.038 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000345867929 378392143 /nfs/dbraw/zinc/39/21/43/378392143.db2.gz DSJWVKMEJDPFFK-CQSZACIVSA-N 1 2 268.360 3.453 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000345867929 378392154 /nfs/dbraw/zinc/39/21/54/378392154.db2.gz DSJWVKMEJDPFFK-CQSZACIVSA-N 1 2 268.360 3.453 20 30 CGEDLO Cc1ccc([C@H]([NH2+]CC2(C#N)CC2)c2ccccn2)cc1 ZINC000348364713 378928365 /nfs/dbraw/zinc/92/83/65/378928365.db2.gz FWNNEYGIFDIEQU-KRWDZBQOSA-N 1 2 277.371 3.373 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000267303898 190319683 /nfs/dbraw/zinc/31/96/83/190319683.db2.gz KYTGVULLFHEUGV-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C#CC[N@H+](CC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000267303898 190319684 /nfs/dbraw/zinc/31/96/84/190319684.db2.gz KYTGVULLFHEUGV-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000267626718 190341966 /nfs/dbraw/zinc/34/19/66/190341966.db2.gz MPLCJAQERPSCNK-SECBINFHSA-N 1 2 293.417 3.073 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025635 380285473 /nfs/dbraw/zinc/28/54/73/380285473.db2.gz HFVFJYFSVJJDMN-DIECRNLCSA-N 1 2 285.347 3.232 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000354025635 380285476 /nfs/dbraw/zinc/28/54/76/380285476.db2.gz HFVFJYFSVJJDMN-DIECRNLCSA-N 1 2 285.347 3.232 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000354035582 380291707 /nfs/dbraw/zinc/29/17/07/380291707.db2.gz ZKUWSDBIGZVPDJ-LBPRGKRZSA-N 1 2 298.365 3.340 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC1 ZINC000354035582 380291710 /nfs/dbraw/zinc/29/17/10/380291710.db2.gz ZKUWSDBIGZVPDJ-LBPRGKRZSA-N 1 2 298.365 3.340 20 30 CGEDLO C[C@@H](C#N)C[N@H+](CC1=Cc2ccccc2OC1)C1CC1 ZINC000354045048 380299073 /nfs/dbraw/zinc/29/90/73/380299073.db2.gz OYOSQFUSBKCBHK-ZDUSSCGKSA-N 1 2 268.360 3.086 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](CC1=Cc2ccccc2OC1)C1CC1 ZINC000354045048 380299076 /nfs/dbraw/zinc/29/90/76/380299076.db2.gz OYOSQFUSBKCBHK-ZDUSSCGKSA-N 1 2 268.360 3.086 20 30 CGEDLO C=CCCCNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000354319139 380397946 /nfs/dbraw/zinc/39/79/46/380397946.db2.gz VAZRFCXQZTYDSC-UHFFFAOYSA-N 1 2 287.407 3.154 20 30 CGEDLO Cc1cccc2c(NCC3(C#N)CCC3)c(C)c[nH+]c12 ZINC000419026631 380765455 /nfs/dbraw/zinc/76/54/55/380765455.db2.gz UVQVWXZBMLCCDD-UHFFFAOYSA-N 1 2 265.360 3.379 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000419220871 380782179 /nfs/dbraw/zinc/78/21/79/380782179.db2.gz ABTSCZBNXUHGMR-CQSZACIVSA-N 1 2 295.810 3.226 20 30 CGEDLO CSCc1cnc(C[NH2+]Cc2ccc(C#N)s2)s1 ZINC000421351322 380890584 /nfs/dbraw/zinc/89/05/84/380890584.db2.gz OAESTDWFWWOPEK-UHFFFAOYSA-N 1 2 295.458 3.229 20 30 CGEDLO N#Cc1ccc(NCc2ccn3cc[nH+]c3c2)cc1Cl ZINC000357505962 381185587 /nfs/dbraw/zinc/18/55/87/381185587.db2.gz UOFADXCVYDAKKI-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000358495166 381311980 /nfs/dbraw/zinc/31/19/80/381311980.db2.gz HJTIIDSVZALFHQ-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000358495166 381311989 /nfs/dbraw/zinc/31/19/89/381311989.db2.gz HJTIIDSVZALFHQ-OAHLLOKOSA-N 1 2 267.319 3.304 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000186214786 262084405 /nfs/dbraw/zinc/08/44/05/262084405.db2.gz FHVYKKQMVYJKIK-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000281395672 195223381 /nfs/dbraw/zinc/22/33/81/195223381.db2.gz XEORMQQMMBVLLK-HNNXBMFYSA-N 1 2 286.404 3.080 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000281395672 195223384 /nfs/dbraw/zinc/22/33/84/195223384.db2.gz XEORMQQMMBVLLK-HNNXBMFYSA-N 1 2 286.404 3.080 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000281479578 195257377 /nfs/dbraw/zinc/25/73/77/195257377.db2.gz SFYSHVZDIFKTSW-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCCO1 ZINC000281479578 195257378 /nfs/dbraw/zinc/25/73/78/195257378.db2.gz SFYSHVZDIFKTSW-OAHLLOKOSA-N 1 2 278.783 3.213 20 30 CGEDLO COc1cc(C#N)cc(OCc2ccc(C)[nH+]c2C)c1 ZINC000362715787 533493519 /nfs/dbraw/zinc/49/35/19/533493519.db2.gz MCBLKGUWQJFFSD-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO Cc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)on1 ZINC000331505414 533606889 /nfs/dbraw/zinc/60/68/89/533606889.db2.gz XAYCKQDSXPZMPU-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)on1 ZINC000331505414 533606890 /nfs/dbraw/zinc/60/68/90/533606890.db2.gz XAYCKQDSXPZMPU-SJORKVTESA-N 1 2 281.359 3.255 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000190659536 130130265 /nfs/dbraw/zinc/13/02/65/130130265.db2.gz OLFQOIGQZMKMAV-QGZVFWFLSA-N 1 2 289.423 3.146 20 30 CGEDLO CCc1ccc([C@@H](COC)[NH2+]CC#Cc2ccccc2)o1 ZINC000192177445 130388961 /nfs/dbraw/zinc/38/89/61/130388961.db2.gz SDQUVOIMLPOLFA-QGZVFWFLSA-N 1 2 283.371 3.171 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093090795 392234905 /nfs/dbraw/zinc/23/49/05/392234905.db2.gz QDNYRVTUPJQINQ-MRVPVSSYSA-N 1 2 273.163 3.433 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093090795 392234910 /nfs/dbraw/zinc/23/49/10/392234910.db2.gz QDNYRVTUPJQINQ-MRVPVSSYSA-N 1 2 273.163 3.433 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC000093952763 392240887 /nfs/dbraw/zinc/24/08/87/392240887.db2.gz URJHVEPTWRLCOA-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc(Br)c1 ZINC000093952763 392240890 /nfs/dbraw/zinc/24/08/90/392240890.db2.gz URJHVEPTWRLCOA-UHFFFAOYSA-N 1 2 285.160 3.324 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCc2nc(C)c(C)s2)c1 ZINC000121537170 392414570 /nfs/dbraw/zinc/41/45/70/392414570.db2.gz QIWNDVXXODUONN-CXUHLZMHSA-N 1 2 290.388 3.136 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000289194054 392416541 /nfs/dbraw/zinc/41/65/41/392416541.db2.gz QYCICDUYJGIISL-INIZCTEOSA-N 1 2 295.346 3.171 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](CCC#N)CCC(C)C ZINC000121125421 392409104 /nfs/dbraw/zinc/40/91/04/392409104.db2.gz OIHHFZDZGRZKJU-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](CCC#N)CCC(C)C ZINC000121125421 392409110 /nfs/dbraw/zinc/40/91/10/392409110.db2.gz OIHHFZDZGRZKJU-UHFFFAOYSA-N 1 2 285.391 3.329 20 30 CGEDLO C[C@H]1CC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000329507253 392683940 /nfs/dbraw/zinc/68/39/40/392683940.db2.gz IZGIACQZTKENSZ-HAQNSBGRSA-N 1 2 272.352 3.239 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373002170 392655590 /nfs/dbraw/zinc/65/55/90/392655590.db2.gz ZPMJMTWCYWEIEB-CQSZACIVSA-N 1 2 294.402 3.284 20 30 CGEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC000334644964 392744175 /nfs/dbraw/zinc/74/41/75/392744175.db2.gz ACCVGEFGORFXPU-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC000334644964 392744181 /nfs/dbraw/zinc/74/41/81/392744181.db2.gz ACCVGEFGORFXPU-GDBMZVCRSA-N 1 2 270.376 3.142 20 30 CGEDLO CC(C)n1ncc2cc(C[N@@H+](C[C@H](C)C#N)C3CC3)cnc21 ZINC000338364524 392912092 /nfs/dbraw/zinc/91/20/92/392912092.db2.gz ZURKTWWAQRXYSW-CYBMUJFWSA-N 1 2 297.406 3.136 20 30 CGEDLO CC(C)n1ncc2cc(C[N@H+](C[C@H](C)C#N)C3CC3)cnc21 ZINC000338364524 392912099 /nfs/dbraw/zinc/91/20/99/392912099.db2.gz ZURKTWWAQRXYSW-CYBMUJFWSA-N 1 2 297.406 3.136 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000411693323 392984647 /nfs/dbraw/zinc/98/46/47/392984647.db2.gz MFMHITYCHMVHMS-DOMZBBRYSA-N 1 2 264.319 3.388 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000411693323 392984651 /nfs/dbraw/zinc/98/46/51/392984651.db2.gz MFMHITYCHMVHMS-DOMZBBRYSA-N 1 2 264.319 3.388 20 30 CGEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000533775120 392997420 /nfs/dbraw/zinc/99/74/20/392997420.db2.gz IHLORBSRHCFLPG-LBPRGKRZSA-N 1 2 298.342 3.131 20 30 CGEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000533775120 392997430 /nfs/dbraw/zinc/99/74/30/392997430.db2.gz IHLORBSRHCFLPG-LBPRGKRZSA-N 1 2 298.342 3.131 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1ncccn1 ZINC000348222556 393118606 /nfs/dbraw/zinc/11/86/06/393118606.db2.gz FHAVAUGIPIQFKX-UHFFFAOYSA-N 1 2 253.349 3.055 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ncccn1 ZINC000348222556 393118611 /nfs/dbraw/zinc/11/86/11/393118611.db2.gz FHAVAUGIPIQFKX-UHFFFAOYSA-N 1 2 253.349 3.055 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000649423146 393419458 /nfs/dbraw/zinc/41/94/58/393419458.db2.gz VHWZTWXDNFNBAG-QGZVFWFLSA-N 1 2 270.376 3.275 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCCC(=O)c2ccccc2)C1 ZINC000649423146 393419462 /nfs/dbraw/zinc/41/94/62/393419462.db2.gz VHWZTWXDNFNBAG-QGZVFWFLSA-N 1 2 270.376 3.275 20 30 CGEDLO Cc1nc(Nc2ccc(NC3CCCC3)[nH+]c2)ccc1C#N ZINC000488130262 393463002 /nfs/dbraw/zinc/46/30/02/393463002.db2.gz VIFOLUFIIWPBPB-UHFFFAOYSA-N 1 2 293.374 3.177 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1c(F)cncc1Br ZINC000667656561 542908527 /nfs/dbraw/zinc/90/85/27/542908527.db2.gz KUVMHISGWPDIGN-UHFFFAOYSA-N 1 2 287.176 3.381 20 30 CGEDLO C=CCCC[N@H+](C)Cc1c(F)cncc1Br ZINC000667656561 542908530 /nfs/dbraw/zinc/90/85/30/542908530.db2.gz KUVMHISGWPDIGN-UHFFFAOYSA-N 1 2 287.176 3.381 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC000352834081 292326175 /nfs/dbraw/zinc/32/61/75/292326175.db2.gz VIGAIYJKADMKCY-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(C#N)c1)CCO2 ZINC000352834081 292326177 /nfs/dbraw/zinc/32/61/77/292326177.db2.gz VIGAIYJKADMKCY-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093341988 287115684 /nfs/dbraw/zinc/11/56/84/287115684.db2.gz CVDJMEKJZMHXIR-QGZVFWFLSA-N 1 2 298.411 3.367 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000093341988 287115689 /nfs/dbraw/zinc/11/56/89/287115689.db2.gz CVDJMEKJZMHXIR-QGZVFWFLSA-N 1 2 298.411 3.367 20 30 CGEDLO CC(C)[C@H](Nc1snc(Cl)c1C#N)c1[nH]cc[nH+]1 ZINC000285569344 196330761 /nfs/dbraw/zinc/33/07/61/196330761.db2.gz JSDJCCADPYDQSS-QMMMGPOBSA-N 1 2 281.772 3.200 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000127936689 287299424 /nfs/dbraw/zinc/29/94/24/287299424.db2.gz PGWCRNVZDUNGJK-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000127936689 287299426 /nfs/dbraw/zinc/29/94/26/287299426.db2.gz PGWCRNVZDUNGJK-GFCCVEGCSA-N 1 2 269.323 3.285 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000680425083 543709924 /nfs/dbraw/zinc/70/99/24/543709924.db2.gz OCPZGTSFSIRLQE-VXGBXAGGSA-N 1 2 287.338 3.328 20 30 CGEDLO FC(F)(F)[C@H]1C[NH+](CC2(F)CC2)C[C@@H]1C(F)(F)F ZINC000684363875 543985732 /nfs/dbraw/zinc/98/57/32/543985732.db2.gz XQLIFYWLPDVTOQ-BQBZGAKWSA-N 1 2 279.199 3.161 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2cccs2)nn1 ZINC000653480072 419033973 /nfs/dbraw/zinc/03/39/73/419033973.db2.gz QYIRDTZLPWDGGM-AWEZNQCLSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2cccs2)nn1 ZINC000653480072 419033976 /nfs/dbraw/zinc/03/39/76/419033976.db2.gz QYIRDTZLPWDGGM-AWEZNQCLSA-N 1 2 288.420 3.253 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2cccs2)nn1 ZINC000653497529 419038098 /nfs/dbraw/zinc/03/80/98/419038098.db2.gz JFZKWMKFSSKAQR-GFCCVEGCSA-N 1 2 276.409 3.109 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2cccs2)nn1 ZINC000653497529 419038102 /nfs/dbraw/zinc/03/81/02/419038102.db2.gz JFZKWMKFSSKAQR-GFCCVEGCSA-N 1 2 276.409 3.109 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]c2ccccc2n1C ZINC000664572833 418980586 /nfs/dbraw/zinc/98/05/86/418980586.db2.gz ZTKYSTWGEDMJMU-BETUJISGSA-N 1 2 253.349 3.261 20 30 CGEDLO C=CC[N@H+](Cc1ncc(-c2cccs2)o1)[C@H](C)COC ZINC000661242546 419244558 /nfs/dbraw/zinc/24/45/58/419244558.db2.gz CKDHYURZMVHMEK-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(-c2cccs2)o1)[C@H](C)COC ZINC000661242546 419244561 /nfs/dbraw/zinc/24/45/61/419244561.db2.gz CKDHYURZMVHMEK-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCSc2ccccc21 ZINC000330117067 228043158 /nfs/dbraw/zinc/04/31/58/228043158.db2.gz WKBIRWJQISIKSH-GFCCVEGCSA-N 1 2 287.388 3.454 20 30 CGEDLO C=CC[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000664253669 419867940 /nfs/dbraw/zinc/86/79/40/419867940.db2.gz QMVUBNZISJVHRW-OAHLLOKOSA-N 1 2 286.423 3.259 20 30 CGEDLO C=CC[C@@H]1CCCN(c2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000664253669 419867947 /nfs/dbraw/zinc/86/79/47/419867947.db2.gz QMVUBNZISJVHRW-OAHLLOKOSA-N 1 2 286.423 3.259 20 30 CGEDLO C=CCCCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000521369666 260088194 /nfs/dbraw/zinc/08/81/94/260088194.db2.gz CQGZMKXRWKRVIS-HNNXBMFYSA-N 1 2 288.370 3.369 20 30 CGEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)o1 ZINC000162251540 261274571 /nfs/dbraw/zinc/27/45/71/261274571.db2.gz BAHLRPWKLWQHCV-UHFFFAOYSA-N 1 2 271.320 3.278 20 30 CGEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000177043940 261327371 /nfs/dbraw/zinc/32/73/71/261327371.db2.gz CXNAQXJOYJASGZ-CYBMUJFWSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000177043940 261327372 /nfs/dbraw/zinc/32/73/72/261327372.db2.gz CXNAQXJOYJASGZ-CYBMUJFWSA-N 1 2 260.768 3.173 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000186214786 262084404 /nfs/dbraw/zinc/08/44/04/262084404.db2.gz FHVYKKQMVYJKIK-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCCC#N ZINC000189484768 262172326 /nfs/dbraw/zinc/17/23/26/262172326.db2.gz HXDQWQHYMQKHEJ-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCCC#N ZINC000189484768 262172327 /nfs/dbraw/zinc/17/23/27/262172327.db2.gz HXDQWQHYMQKHEJ-WFASDCNBSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000191324645 262191288 /nfs/dbraw/zinc/19/12/88/262191288.db2.gz WYBSUGOQJZKADZ-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000191324645 262191290 /nfs/dbraw/zinc/19/12/90/262191290.db2.gz WYBSUGOQJZKADZ-CYBMUJFWSA-N 1 2 258.365 3.209 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000354032439 262283618 /nfs/dbraw/zinc/28/36/18/262283618.db2.gz ADAIZHOGWQLEOZ-CQSZACIVSA-N 1 2 270.376 3.375 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000354032439 262283619 /nfs/dbraw/zinc/28/36/19/262283619.db2.gz ADAIZHOGWQLEOZ-CQSZACIVSA-N 1 2 270.376 3.375 20 30 CGEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)c(OC(F)F)c1 ZINC000354041369 262355517 /nfs/dbraw/zinc/35/55/17/262355517.db2.gz SIZYRRPNSGJILY-UHFFFAOYSA-N 1 2 298.333 3.278 20 30 CGEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(OC(F)F)c1 ZINC000354041369 262355519 /nfs/dbraw/zinc/35/55/19/262355519.db2.gz SIZYRRPNSGJILY-UHFFFAOYSA-N 1 2 298.333 3.278 20 30 CGEDLO CCc1nocc1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000339606759 262655086 /nfs/dbraw/zinc/65/50/86/262655086.db2.gz RQAYRXQAORBVAJ-UHFFFAOYSA-N 1 2 288.778 3.374 20 30 CGEDLO CCc1nocc1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000339606759 262655088 /nfs/dbraw/zinc/65/50/88/262655088.db2.gz RQAYRXQAORBVAJ-UHFFFAOYSA-N 1 2 288.778 3.374 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000271119171 262992843 /nfs/dbraw/zinc/99/28/43/262992843.db2.gz GXENRFGIRBVHLN-SECBINFHSA-N 1 2 274.261 3.436 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000271119171 262992844 /nfs/dbraw/zinc/99/28/44/262992844.db2.gz GXENRFGIRBVHLN-SECBINFHSA-N 1 2 274.261 3.436 20 30 CGEDLO COc1c(O)cccc1C[N@H+](CCC#N)CCC(C)C ZINC000272289754 263003176 /nfs/dbraw/zinc/00/31/76/263003176.db2.gz NXNKUGNBIFNBPE-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO COc1c(O)cccc1C[N@@H+](CCC#N)CCC(C)C ZINC000272289754 263003177 /nfs/dbraw/zinc/00/31/77/263003177.db2.gz NXNKUGNBIFNBPE-UHFFFAOYSA-N 1 2 276.380 3.163 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCO[C@H](C)C2)c1 ZINC000273314196 263015068 /nfs/dbraw/zinc/01/50/68/263015068.db2.gz CTMDQETYNRTFHN-MDDWGPDPSA-N 1 2 277.364 3.025 20 30 CGEDLO N#CCC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000273858413 263019897 /nfs/dbraw/zinc/01/98/97/263019897.db2.gz NDBJNISWSMLBTI-UHFFFAOYSA-N 1 2 291.192 3.452 20 30 CGEDLO N#CCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000273858413 263019898 /nfs/dbraw/zinc/01/98/98/263019898.db2.gz NDBJNISWSMLBTI-UHFFFAOYSA-N 1 2 291.192 3.452 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)no1 ZINC000278102719 263045476 /nfs/dbraw/zinc/04/54/76/263045476.db2.gz AEVNGNOJQLAOHI-UONOGXRCSA-N 1 2 296.374 3.217 20 30 CGEDLO Cc1cccc(CCC/[NH+]=C/c2ccccc2O)n1 ZINC000285474749 263093188 /nfs/dbraw/zinc/09/31/88/263093188.db2.gz RRJAYOCRRWYGIT-SFQUDFHCSA-N 1 2 254.333 3.147 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnc([C@@H](C)O)s1 ZINC000289317396 263109099 /nfs/dbraw/zinc/10/90/99/263109099.db2.gz JSSGDAKMYIBUFL-GFCCVEGCSA-N 1 2 295.452 3.348 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnc([C@@H](C)O)s1 ZINC000289317396 263109100 /nfs/dbraw/zinc/10/91/00/263109100.db2.gz JSSGDAKMYIBUFL-GFCCVEGCSA-N 1 2 295.452 3.348 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/C[C@H](CC)OC)c(O)c1 ZINC000290430234 263116627 /nfs/dbraw/zinc/11/66/27/263116627.db2.gz BPORLPPEMTWPQH-RKPNYOAGSA-N 1 2 265.353 3.025 20 30 CGEDLO CN(c1ccccc1)c1cc(NCCCCC#N)[nH+]cn1 ZINC000292457599 263132377 /nfs/dbraw/zinc/13/23/77/263132377.db2.gz JKWOXIIDKBTGKT-UHFFFAOYSA-N 1 2 281.363 3.350 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831496 263135560 /nfs/dbraw/zinc/13/55/60/263135560.db2.gz OUOOCVTVCQUUTQ-AAEUAGOBSA-N 1 2 283.350 3.357 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000292831496 263135561 /nfs/dbraw/zinc/13/55/61/263135561.db2.gz OUOOCVTVCQUUTQ-AAEUAGOBSA-N 1 2 283.350 3.357 20 30 CGEDLO CCc1nc(C(C)C)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000293019561 263137236 /nfs/dbraw/zinc/13/72/36/263137236.db2.gz IDARJAVEWJVFTJ-ZDUSSCGKSA-N 1 2 259.397 3.359 20 30 CGEDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000293019561 263137237 /nfs/dbraw/zinc/13/72/37/263137237.db2.gz IDARJAVEWJVFTJ-ZDUSSCGKSA-N 1 2 259.397 3.359 20 30 CGEDLO N#CCC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000298870129 263227320 /nfs/dbraw/zinc/22/73/20/263227320.db2.gz JNEXEADOOURTTD-UHFFFAOYSA-N 1 2 250.292 3.237 20 30 CGEDLO C=C1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000341977851 263369042 /nfs/dbraw/zinc/36/90/42/263369042.db2.gz CDHWXNZYTLLBTG-HNNXBMFYSA-N 1 2 284.403 3.006 20 30 CGEDLO C=CC[C@H](CO)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000342918091 263546683 /nfs/dbraw/zinc/54/66/83/263546683.db2.gz PDXQLTRCOIMPNP-NSHDSACASA-N 1 2 276.767 3.485 20 30 CGEDLO C=CC[N@@H+](Cc1csnn1)CC1CCCCC1 ZINC000125621018 264027846 /nfs/dbraw/zinc/02/78/46/264027846.db2.gz XQSLFZUQCBTPIR-UHFFFAOYSA-N 1 2 251.399 3.106 20 30 CGEDLO C=CC[N@H+](Cc1csnn1)CC1CCCCC1 ZINC000125621018 264027847 /nfs/dbraw/zinc/02/78/47/264027847.db2.gz XQSLFZUQCBTPIR-UHFFFAOYSA-N 1 2 251.399 3.106 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C(F)F)no1 ZINC000425394811 264275883 /nfs/dbraw/zinc/27/58/83/264275883.db2.gz GGXZPSQIBIGCCQ-UHFFFAOYSA-N 1 2 293.317 3.238 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C(F)F)no1 ZINC000425394811 264275884 /nfs/dbraw/zinc/27/58/84/264275884.db2.gz GGXZPSQIBIGCCQ-UHFFFAOYSA-N 1 2 293.317 3.238 20 30 CGEDLO C=C[C@@H]1CCCCN1C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000357411570 266292384 /nfs/dbraw/zinc/29/23/84/266292384.db2.gz UUMNXIWIUZYDRM-OAHLLOKOSA-N 1 2 297.402 3.302 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](CC)O1 ZINC000398518769 266380129 /nfs/dbraw/zinc/38/01/29/266380129.db2.gz LMVWQGQGXMHWLX-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](CC)O1 ZINC000398518769 266380131 /nfs/dbraw/zinc/38/01/31/266380131.db2.gz LMVWQGQGXMHWLX-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CCC1 ZINC000418142290 267363191 /nfs/dbraw/zinc/36/31/91/267363191.db2.gz MREDPJLZQKVNPZ-UHFFFAOYSA-N 1 2 275.352 3.219 20 30 CGEDLO COc1cccc(Cl)c1C[NH2+]CC1(C#N)CCC1 ZINC000418136057 267368093 /nfs/dbraw/zinc/36/80/93/267368093.db2.gz BYKRITROPAANAE-UHFFFAOYSA-N 1 2 264.756 3.132 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(C#N)cs1 ZINC000334327469 278107472 /nfs/dbraw/zinc/10/74/72/278107472.db2.gz BZWXCEMRLZHLFL-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000334327469 278107474 /nfs/dbraw/zinc/10/74/74/278107474.db2.gz BZWXCEMRLZHLFL-LLVKDONJSA-N 1 2 269.373 3.134 20 30 CGEDLO N#Cc1cc(Nc2cccc(Oc3cc[nH+]cc3)c2)ncn1 ZINC000562421449 289701350 /nfs/dbraw/zinc/70/13/50/289701350.db2.gz SOFODZKYAZGEFC-UHFFFAOYSA-N 1 2 289.298 3.279 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563392617 328060253 /nfs/dbraw/zinc/06/02/53/328060253.db2.gz NGDXNYTVNPXYOF-HNNXBMFYSA-N 1 2 297.402 3.193 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563392617 328060255 /nfs/dbraw/zinc/06/02/55/328060255.db2.gz NGDXNYTVNPXYOF-HNNXBMFYSA-N 1 2 297.402 3.193 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)CC(C)(C)C)ccn12 ZINC000571415560 328120465 /nfs/dbraw/zinc/12/04/65/328120465.db2.gz AJQRCFMHRFYIKP-UHFFFAOYSA-N 1 2 298.390 3.045 20 30 CGEDLO COc1cccc2c(N3CCC(C)(C#N)CC3)cc[nH+]c12 ZINC000275891406 328216975 /nfs/dbraw/zinc/21/69/75/328216975.db2.gz YCAUGXZXSBMLIL-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO Cc1ccc2[nH+]c(CN3CCCC(C)(C)[C@@H]3C#N)cn2c1 ZINC000277757746 328222433 /nfs/dbraw/zinc/22/24/33/328222433.db2.gz MBKLKAJOBRBXPO-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO Cc1c[nH+]c(C)nc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000567752623 322176244 /nfs/dbraw/zinc/17/62/44/322176244.db2.gz QNICKVLTWONIGC-UHFFFAOYSA-N 1 2 290.370 3.259 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000559333974 327161079 /nfs/dbraw/zinc/16/10/79/327161079.db2.gz AFNCBODUZFLTPA-UHFFFAOYSA-N 1 2 297.314 3.248 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccc(C)cc2)no1 ZINC000569501265 327186548 /nfs/dbraw/zinc/18/65/48/327186548.db2.gz NJYDBSNTDCUOTO-CQSZACIVSA-N 1 2 269.348 3.432 20 30 CGEDLO C=CCCCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000584300073 327230095 /nfs/dbraw/zinc/23/00/95/327230095.db2.gz GOWVJLVYAZEIDA-UHFFFAOYSA-N 1 2 290.411 3.045 20 30 CGEDLO C=CCCCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000584300073 327230096 /nfs/dbraw/zinc/23/00/96/327230096.db2.gz GOWVJLVYAZEIDA-UHFFFAOYSA-N 1 2 290.411 3.045 20 30 CGEDLO C=CCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCCCC1 ZINC000570344770 327584432 /nfs/dbraw/zinc/58/44/32/327584432.db2.gz XJOGYRJYAGIYIN-GFCCVEGCSA-N 1 2 261.369 3.114 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1cc(O)ccc1Br ZINC000181046485 329225466 /nfs/dbraw/zinc/22/54/66/329225466.db2.gz JZOFZPMKIPKFNI-UHFFFAOYSA-N 1 2 270.170 3.163 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1cc(O)ccc1Br ZINC000181046485 329225467 /nfs/dbraw/zinc/22/54/67/329225467.db2.gz JZOFZPMKIPKFNI-UHFFFAOYSA-N 1 2 270.170 3.163 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000185148611 329266679 /nfs/dbraw/zinc/26/66/79/329266679.db2.gz JNFXYQYAHQZGTK-CQSZACIVSA-N 1 2 289.423 3.146 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000187374965 329356963 /nfs/dbraw/zinc/35/69/63/329356963.db2.gz JVCQZCQJHLMEOF-AWEZNQCLSA-N 1 2 263.291 3.095 20 30 CGEDLO C=C(C)[C@H](NCc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC000187374965 329356965 /nfs/dbraw/zinc/35/69/65/329356965.db2.gz JVCQZCQJHLMEOF-AWEZNQCLSA-N 1 2 263.291 3.095 20 30 CGEDLO C=CCOCCSCc1[nH+]cc(C)c(OC)c1C ZINC000419456065 329731004 /nfs/dbraw/zinc/73/10/04/329731004.db2.gz RHBQEHZLBAFALA-UHFFFAOYSA-N 1 2 267.394 3.143 20 30 CGEDLO Cc1nc(CNc2[nH+]cccc2OCCCC#N)cs1 ZINC000162239912 329986072 /nfs/dbraw/zinc/98/60/72/329986072.db2.gz URQHJMKOKOLFOI-UHFFFAOYSA-N 1 2 288.376 3.141 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CN1CCCC(C)(C)[C@H]1C#N ZINC000444717953 330821511 /nfs/dbraw/zinc/82/15/11/330821511.db2.gz JSBYAQBGKFQBQQ-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO N#C[C@H]1[N@H+](CC23CCC(CC2)C3)CCC[C@]12CCCCO2 ZINC000450874684 331004213 /nfs/dbraw/zinc/00/42/13/331004213.db2.gz DMRQDLJEUKSERC-GPQLOAJWSA-N 1 2 288.435 3.494 20 30 CGEDLO N#C[C@H]1[N@@H+](CC23CCC(CC2)C3)CCC[C@]12CCCCO2 ZINC000450874684 331004214 /nfs/dbraw/zinc/00/42/14/331004214.db2.gz DMRQDLJEUKSERC-GPQLOAJWSA-N 1 2 288.435 3.494 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450875649 331004346 /nfs/dbraw/zinc/00/43/46/331004346.db2.gz FYCIQPJIJAWICV-OAHLLOKOSA-N 1 2 293.432 3.021 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450875649 331004347 /nfs/dbraw/zinc/00/43/47/331004347.db2.gz FYCIQPJIJAWICV-OAHLLOKOSA-N 1 2 293.432 3.021 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@@H]2CCC(F)(F)C2)CCC[C@@]12CCCCO2 ZINC000450880919 331004459 /nfs/dbraw/zinc/00/44/59/331004459.db2.gz LLBFZWRORVXVMK-ILXRZTDVSA-N 1 2 298.377 3.349 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@@H]2CCC(F)(F)C2)CCC[C@@]12CCCCO2 ZINC000450880919 331004460 /nfs/dbraw/zinc/00/44/60/331004460.db2.gz LLBFZWRORVXVMK-ILXRZTDVSA-N 1 2 298.377 3.349 20 30 CGEDLO CC1(C#N)C[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 ZINC000459593202 331289822 /nfs/dbraw/zinc/28/98/22/331289822.db2.gz NYJFPYXQMZKBES-NVXWUHKLSA-N 1 2 254.377 3.342 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)cc1 ZINC000488556725 332017167 /nfs/dbraw/zinc/01/71/67/332017167.db2.gz JYTVUFGRXIJMGB-GOSISDBHSA-N 1 2 288.435 3.023 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCN(C)[C@@H](C(C)C)C2)cc1 ZINC000488556725 332017169 /nfs/dbraw/zinc/01/71/69/332017169.db2.gz JYTVUFGRXIJMGB-GOSISDBHSA-N 1 2 288.435 3.023 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000489451202 332053559 /nfs/dbraw/zinc/05/35/59/332053559.db2.gz SAOZQBXMCMJBBL-GFCCVEGCSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000489451202 332053560 /nfs/dbraw/zinc/05/35/60/332053560.db2.gz SAOZQBXMCMJBBL-GFCCVEGCSA-N 1 2 296.773 3.458 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(F)cc1 ZINC000491523535 332229058 /nfs/dbraw/zinc/22/90/58/332229058.db2.gz FRLWHHJCKXTSFI-OAHLLOKOSA-N 1 2 293.345 3.177 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000513954807 333054398 /nfs/dbraw/zinc/05/43/98/333054398.db2.gz NGWJDDSOYUAKGP-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000513954807 333054400 /nfs/dbraw/zinc/05/44/00/333054400.db2.gz NGWJDDSOYUAKGP-SNVBAGLBSA-N 1 2 287.190 3.464 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000186020627 333153545 /nfs/dbraw/zinc/15/35/45/333153545.db2.gz ASILWMFGTPTHMB-UHFFFAOYSA-N 1 2 267.332 3.209 20 30 CGEDLO CCOc1cccc(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000547342861 334081740 /nfs/dbraw/zinc/08/17/40/334081740.db2.gz YZSIKIPGEWKBQU-UHFFFAOYSA-N 1 2 267.332 3.158 20 30 CGEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000245508575 334198952 /nfs/dbraw/zinc/19/89/52/334198952.db2.gz SFSORSHVCLIBJZ-IEBWSBKVSA-N 1 2 295.430 3.053 20 30 CGEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1 ZINC000245508575 334198954 /nfs/dbraw/zinc/19/89/54/334198954.db2.gz SFSORSHVCLIBJZ-IEBWSBKVSA-N 1 2 295.430 3.053 20 30 CGEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565484036 334567849 /nfs/dbraw/zinc/56/78/49/334567849.db2.gz WCIRUEFHULTGDH-INIZCTEOSA-N 1 2 297.402 3.439 20 30 CGEDLO COc1cc2c(NCC3(C#N)CC3)cc[nH+]c2cc1F ZINC000565751291 334593644 /nfs/dbraw/zinc/59/36/44/334593644.db2.gz HLASNLIQJBHMCG-UHFFFAOYSA-N 1 2 271.295 3.098 20 30 CGEDLO Cc1nc(C[NH2+][C@@H](CCC#N)c2ccccc2)[nH]c1C ZINC000576767662 335245894 /nfs/dbraw/zinc/24/58/94/335245894.db2.gz DIHLHNPNRBTJGA-HNNXBMFYSA-N 1 2 268.364 3.161 20 30 CGEDLO Cc1[nH]c(CN[C@@H](CCC#N)c2ccccc2)[nH+]c1C ZINC000576767662 335245895 /nfs/dbraw/zinc/24/58/95/335245895.db2.gz DIHLHNPNRBTJGA-HNNXBMFYSA-N 1 2 268.364 3.161 20 30 CGEDLO Cc1cc(NC[C@@H]2CCCCC(F)(F)C2)c(C#N)c[nH+]1 ZINC000425270040 534034268 /nfs/dbraw/zinc/03/42/68/534034268.db2.gz SGVHLIRMEQCXPS-GFCCVEGCSA-N 1 2 279.334 3.311 20 30 CGEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000049237429 524794741 /nfs/dbraw/zinc/79/47/41/524794741.db2.gz FITAQPVNQFUGSI-SNVBAGLBSA-N 1 2 294.280 3.274 20 30 CGEDLO C=CC[N@@H+](Cc1conc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000350803709 526380857 /nfs/dbraw/zinc/38/08/57/526380857.db2.gz UHOJIFQENOAXNQ-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=CC[N@H+](Cc1conc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000350803709 526380861 /nfs/dbraw/zinc/38/08/61/526380861.db2.gz UHOJIFQENOAXNQ-UHFFFAOYSA-N 1 2 287.319 3.079 20 30 CGEDLO C=C1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000353331507 526904930 /nfs/dbraw/zinc/90/49/30/526904930.db2.gz VVVBWSZYNOVNOY-UHFFFAOYSA-N 1 2 283.318 3.449 20 30 CGEDLO C=CCCOCCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000344485480 527337714 /nfs/dbraw/zinc/33/77/14/527337714.db2.gz YWZZDCATQHKVNN-UHFFFAOYSA-N 1 2 287.363 3.036 20 30 CGEDLO CC1=C(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000330321495 528068038 /nfs/dbraw/zinc/06/80/38/528068038.db2.gz FZWQSPPKSHWPPY-DOMZBBRYSA-N 1 2 289.379 3.097 20 30 CGEDLO CCOC(=O)CC(C)(C)CC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000347155426 528662089 /nfs/dbraw/zinc/66/20/89/528662089.db2.gz NALDCCCKRWGQAW-CQSZACIVSA-N 1 2 294.439 3.370 20 30 CGEDLO CCOC(=O)CC(C)(C)CC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000347155426 528662090 /nfs/dbraw/zinc/66/20/90/528662090.db2.gz NALDCCCKRWGQAW-CQSZACIVSA-N 1 2 294.439 3.370 20 30 CGEDLO CC1(C)CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000329085932 529033549 /nfs/dbraw/zinc/03/35/49/529033549.db2.gz UNKVOFMIPZBJOP-ZDUSSCGKSA-N 1 2 290.411 3.082 20 30 CGEDLO CC1(C)CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000329085932 529033551 /nfs/dbraw/zinc/03/35/51/529033551.db2.gz UNKVOFMIPZBJOP-ZDUSSCGKSA-N 1 2 290.411 3.082 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428228434 529297377 /nfs/dbraw/zinc/29/73/77/529297377.db2.gz VFURYIKRURFBQM-LBPRGKRZSA-N 1 2 264.369 3.025 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428228434 529297378 /nfs/dbraw/zinc/29/73/78/529297378.db2.gz VFURYIKRURFBQM-LBPRGKRZSA-N 1 2 264.369 3.025 20 30 CGEDLO CC(=[NH+]Nc1ccc(C)cn1)c1ccc(N(C)C)cc1 ZINC000727260568 571736699 /nfs/dbraw/zinc/73/66/99/571736699.db2.gz YTLIWCRRZPXOTB-UHFFFAOYSA-N 1 2 268.364 3.292 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCCc2cccc(F)c2)c1O ZINC000731563241 572416593 /nfs/dbraw/zinc/41/65/93/572416593.db2.gz NHEMAXNZKRVCOM-WQRHYEAKSA-N 1 2 273.307 3.289 20 30 CGEDLO O=C1c2cccc(Cl)c2SC/C1=C/c1[nH]cc[nH+]1 ZINC000731939716 572439205 /nfs/dbraw/zinc/43/92/05/572439205.db2.gz RRGIQXYYFUIDAY-VURMDHGXSA-N 1 2 276.748 3.435 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000740423294 572441326 /nfs/dbraw/zinc/44/13/26/572441326.db2.gz DXKBGXKBENOJBD-SNVBAGLBSA-N 1 2 263.212 3.442 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC1(Cl)Cl ZINC000740423294 572441332 /nfs/dbraw/zinc/44/13/32/572441332.db2.gz DXKBGXKBENOJBD-SNVBAGLBSA-N 1 2 263.212 3.442 20 30 CGEDLO CC(C)OC(=O)CC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000732769198 572482630 /nfs/dbraw/zinc/48/26/30/572482630.db2.gz FLMCXAZKJMLZPS-WQRHYEAKSA-N 1 2 285.343 3.306 20 30 CGEDLO C=C(Cl)C[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000733614012 572591863 /nfs/dbraw/zinc/59/18/63/572591863.db2.gz UNACVIVNYPPXIV-VXGBXAGGSA-N 1 2 288.819 3.069 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\[C@@H]1CCSC1 ZINC000743043805 572635897 /nfs/dbraw/zinc/63/58/97/572635897.db2.gz AMRMQAVPZXAIFT-DZZSIBQASA-N 1 2 257.358 3.470 20 30 CGEDLO C=CC[C@H]([NH2+]Cc1n[nH]c2ccccc12)c1ccncc1 ZINC000734509694 572661602 /nfs/dbraw/zinc/66/16/02/572661602.db2.gz PCNSPDJDVDTFID-HNNXBMFYSA-N 1 2 278.359 3.365 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC(C)(C)SC)c(O)c1 ZINC000743503561 572667494 /nfs/dbraw/zinc/66/74/94/572667494.db2.gz XHWUOHPZZZGXCA-DHDCSXOGSA-N 1 2 267.394 3.351 20 30 CGEDLO C[C@H](CCc1cccn1C)/[NH+]=C\c1ccccc1O ZINC000741845931 572722597 /nfs/dbraw/zinc/72/25/97/572722597.db2.gz ZNLFHNOZNTWUOY-KAECEXQPSA-N 1 2 256.349 3.171 20 30 CGEDLO C#CC[N@H+](Cc1nc(Cl)cs1)C1CCCC1 ZINC000876784516 634899649 /nfs/dbraw/zinc/89/96/49/634899649.db2.gz GTNLSVWJIPEOFF-UHFFFAOYSA-N 1 2 254.786 3.174 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 ZINC000957805161 613320424 /nfs/dbraw/zinc/32/04/24/613320424.db2.gz HUBOAXGAFPHXBD-UHFFFAOYSA-N 1 2 298.386 3.075 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964688965 613375512 /nfs/dbraw/zinc/37/55/12/613375512.db2.gz ZIFKXTGBAFKVBY-DOMZBBRYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964688965 613375513 /nfs/dbraw/zinc/37/55/13/613375513.db2.gz ZIFKXTGBAFKVBY-DOMZBBRYSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1cscc1Br ZINC000286755135 617679468 /nfs/dbraw/zinc/67/94/68/617679468.db2.gz YYVJRKLHADLHEV-UHFFFAOYSA-N 1 2 266.591 3.353 20 30 CGEDLO C#CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C(C)C ZINC000932393645 617718404 /nfs/dbraw/zinc/71/84/04/617718404.db2.gz YEGWACGHHYUWBU-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C(C)C ZINC000932393645 617718410 /nfs/dbraw/zinc/71/84/10/617718410.db2.gz YEGWACGHHYUWBU-UHFFFAOYSA-N 1 2 289.766 3.234 20 30 CGEDLO C=CCCCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000890809832 617866223 /nfs/dbraw/zinc/86/62/23/617866223.db2.gz GBQMGAKZCQPHQF-UHFFFAOYSA-N 1 2 260.381 3.435 20 30 CGEDLO COC[C@@H](C)C/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000255294638 618163877 /nfs/dbraw/zinc/16/38/77/618163877.db2.gz VPYFHNRMFGPAET-NJPLLEPOSA-N 1 2 257.333 3.247 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1ccc(C)s1 ZINC000076496859 618211087 /nfs/dbraw/zinc/21/10/87/618211087.db2.gz XSJFFAPCOYTYGG-UHFFFAOYSA-N 1 2 260.200 3.397 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1ccc(C)s1 ZINC000076496859 618211092 /nfs/dbraw/zinc/21/10/92/618211092.db2.gz XSJFFAPCOYTYGG-UHFFFAOYSA-N 1 2 260.200 3.397 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc2c(c1)CCO2 ZINC000255775055 618790563 /nfs/dbraw/zinc/79/05/63/618790563.db2.gz PDLQMDYQWXGWEZ-WAYWQWQTSA-N 1 2 290.322 3.165 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(C#N)c1O ZINC000926729480 618847181 /nfs/dbraw/zinc/84/71/81/618847181.db2.gz YRNRPDOGVCNVDT-DZGCQCFKSA-N 1 2 288.391 3.120 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CCCOCC2CC2)c1 ZINC000255888741 618858205 /nfs/dbraw/zinc/85/82/05/618858205.db2.gz DMXZVPUYLAVQFU-BOPFTXTBSA-N 1 2 277.364 3.027 20 30 CGEDLO C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1C#N ZINC000103139143 618900610 /nfs/dbraw/zinc/90/06/10/618900610.db2.gz RDFZPSAISVIDNF-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO C[N@@H+](Cc1ccsc1)Cc1ccc(F)cc1C#N ZINC000103139143 618900612 /nfs/dbraw/zinc/90/06/12/618900612.db2.gz RDFZPSAISVIDNF-UHFFFAOYSA-N 1 2 260.337 3.391 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1O ZINC000926838768 618925312 /nfs/dbraw/zinc/92/53/12/618925312.db2.gz UVGDKHZDPMRGCZ-DOMZBBRYSA-N 1 2 256.349 3.271 20 30 CGEDLO CSc1ccc(C[NH2+][C@H](C)c2ncco2)cc1C#N ZINC000926869649 618958378 /nfs/dbraw/zinc/95/83/78/618958378.db2.gz WJDHVNCOUWBTAJ-SNVBAGLBSA-N 1 2 273.361 3.119 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926872758 618959757 /nfs/dbraw/zinc/95/97/57/618959757.db2.gz AFAVZRJVKFXSND-GFCCVEGCSA-N 1 2 263.772 3.252 20 30 CGEDLO C=C[C@H](Cc1ccccc1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000893450101 619178139 /nfs/dbraw/zinc/17/81/39/619178139.db2.gz JDULVYKAPUJVFL-GDBMZVCRSA-N 1 2 284.359 3.175 20 30 CGEDLO CCc1cc(NCC(C)(C)CCC#N)nc(CC)[nH+]1 ZINC000893866012 619324772 /nfs/dbraw/zinc/32/47/72/619324772.db2.gz FKFXMKWBFODYBD-UHFFFAOYSA-N 1 2 260.385 3.343 20 30 CGEDLO Cc1n[nH]c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000894085572 619366305 /nfs/dbraw/zinc/36/63/05/619366305.db2.gz POYGYRWKSXKICH-AEFFLSMTSA-N 1 2 294.402 3.298 20 30 CGEDLO Cc1n[nH]c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000894085572 619366308 /nfs/dbraw/zinc/36/63/08/619366308.db2.gz POYGYRWKSXKICH-AEFFLSMTSA-N 1 2 294.402 3.298 20 30 CGEDLO C[C@H](C#N)C[N@H+](C/C=C\c1cccc(F)c1)C1CC1 ZINC000894085146 619366541 /nfs/dbraw/zinc/36/65/41/619366541.db2.gz PGIOFFSTZCFCMD-HSBHDXMMSA-N 1 2 258.340 3.463 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C/C=C\c1cccc(F)c1)C1CC1 ZINC000894085146 619366542 /nfs/dbraw/zinc/36/65/42/619366542.db2.gz PGIOFFSTZCFCMD-HSBHDXMMSA-N 1 2 258.340 3.463 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1cc(F)c(N)c(F)c1 ZINC000814858524 619426495 /nfs/dbraw/zinc/42/64/95/619426495.db2.gz AJQINBNSIVABBZ-UHFFFAOYSA-N 1 2 296.708 3.432 20 30 CGEDLO COc1ccc2ccc(N[C@@H]3CC[C@H](C#N)C3)[nH+]c2c1 ZINC000894273338 619459881 /nfs/dbraw/zinc/45/98/81/619459881.db2.gz POMLWEYUWSSURE-WCQYABFASA-N 1 2 267.332 3.348 20 30 CGEDLO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925033160 619501922 /nfs/dbraw/zinc/50/19/22/619501922.db2.gz KIFWZLSVHTXEAL-JKSUJKDBSA-N 1 2 290.407 3.102 20 30 CGEDLO CC[C@@H](C)CON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000793158482 619699066 /nfs/dbraw/zinc/69/90/66/619699066.db2.gz HOIVGCVASWALMQ-LLVKDONJSA-N 1 2 263.366 3.330 20 30 CGEDLO Cc1[nH]c([C@@H]2CCCN2c2cccc(F)c2C#N)[nH+]c1C ZINC000895193696 619777109 /nfs/dbraw/zinc/77/71/09/619777109.db2.gz RHJMIVJYQCUGDU-HNNXBMFYSA-N 1 2 284.338 3.379 20 30 CGEDLO CSCc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896501088 620017546 /nfs/dbraw/zinc/01/75/46/620017546.db2.gz NQMFNUHEXRNVFX-OAHLLOKOSA-N 1 2 260.406 3.285 20 30 CGEDLO CSCc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896501088 620017549 /nfs/dbraw/zinc/01/75/49/620017549.db2.gz NQMFNUHEXRNVFX-OAHLLOKOSA-N 1 2 260.406 3.285 20 30 CGEDLO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc2O1 ZINC000896502402 620018544 /nfs/dbraw/zinc/01/85/44/620018544.db2.gz KDNUSIPBUQCXSR-CQSZACIVSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)Cc2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc2O1 ZINC000896502402 620018546 /nfs/dbraw/zinc/01/85/46/620018546.db2.gz KDNUSIPBUQCXSR-CQSZACIVSA-N 1 2 270.376 3.136 20 30 CGEDLO Cc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)ccc1C#N ZINC000897943999 620453382 /nfs/dbraw/zinc/45/33/82/620453382.db2.gz DNSAXZRHJSUDKA-UHFFFAOYSA-N 1 2 283.375 3.442 20 30 CGEDLO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1cccc(C#N)c1O ZINC000924694753 620565303 /nfs/dbraw/zinc/56/53/03/620565303.db2.gz HXGLCBJTKRUJCB-INIZCTEOSA-N 1 2 281.359 3.208 20 30 CGEDLO COc1ccc2c(c1)CC/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901427525 620884095 /nfs/dbraw/zinc/88/40/95/620884095.db2.gz LVDJACVABRFWGZ-UKTHLTGXSA-N 1 2 282.343 3.248 20 30 CGEDLO CC(C)COc1ccc(C(=O)/C=C/c2c[nH+]cn2C)cc1 ZINC000901436255 620887439 /nfs/dbraw/zinc/88/74/39/620887439.db2.gz PUAMZFCWAFEELT-RMKNXTFCSA-N 1 2 284.359 3.351 20 30 CGEDLO CCOc1cccc(C(=O)/C=C/c2c[nH+]cn2CC)c1 ZINC000901468000 620895707 /nfs/dbraw/zinc/89/57/07/620895707.db2.gz LAOADPVDKRQOLO-CMDGGOBGSA-N 1 2 270.332 3.198 20 30 CGEDLO Cc1cc(C(=O)/C=C/c2c[nH+]cn2C(C)C)ccc1O ZINC000901470940 620897120 /nfs/dbraw/zinc/89/71/20/620897120.db2.gz UWKBKAJGSRMVQH-FNORWQNLSA-N 1 2 270.332 3.374 20 30 CGEDLO CC(C)[C@@H]1c2ccccc2C(=O)/C1=C\c1c[nH+]cn1C ZINC000901499613 620903384 /nfs/dbraw/zinc/90/33/84/620903384.db2.gz NBQMOARYGMQUAS-MVMZHWFQSA-N 1 2 266.344 3.440 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/COc2cc(F)ccc2C1=O ZINC000901506756 620904947 /nfs/dbraw/zinc/90/49/47/620904947.db2.gz PPZQGZIWLKZOEK-WZUFQYTHSA-N 1 2 286.306 3.262 20 30 CGEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C\c1c[nH+]cn1C)CCO2 ZINC000901485991 620910345 /nfs/dbraw/zinc/91/03/45/620910345.db2.gz UFAWSUPCSQMUOH-JYRVWZFOSA-N 1 2 282.343 3.086 20 30 CGEDLO CC(C)c1cccc2c1OC/C(=C\c1c[nH+]cn1C)C2=O ZINC000901486507 620911856 /nfs/dbraw/zinc/91/18/56/620911856.db2.gz KCGLIBZHXRKWBF-KPKJPENVSA-N 1 2 282.343 3.202 20 30 CGEDLO C[C@@H]1C/C(=C/c2c[nH+]cn2C)C(=O)c2sccc21 ZINC000901520819 620913274 /nfs/dbraw/zinc/91/32/74/620913274.db2.gz ZCPRFRJFTXLTLR-WPVMNKCKSA-N 1 2 258.346 3.255 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)cc(F)c1O ZINC000903033771 621536553 /nfs/dbraw/zinc/53/65/53/621536553.db2.gz ZKDOPPWLYGJBKI-SECBINFHSA-N 1 2 266.291 3.015 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1OC(F)F ZINC000903106359 621579218 /nfs/dbraw/zinc/57/92/18/621579218.db2.gz OJSSUPSNXSCSMT-SECBINFHSA-N 1 2 284.281 3.381 20 30 CGEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(Cl)c1O ZINC000903106439 621580502 /nfs/dbraw/zinc/58/05/02/621580502.db2.gz QKUZRKZNUVIBRL-GFCCVEGCSA-N 1 2 264.756 3.390 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1nc2ccccc2n1C ZINC000903108371 621581376 /nfs/dbraw/zinc/58/13/76/621581376.db2.gz AXLCNTMCJBCNPU-ZDUSSCGKSA-N 1 2 282.391 3.308 20 30 CGEDLO C=C(Br)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000168279934 623001203 /nfs/dbraw/zinc/00/12/03/623001203.db2.gz HPBGMVGAARHESE-UHFFFAOYSA-N 1 2 289.242 3.439 20 30 CGEDLO C#CC[N@@H+](Cn1cc[nH]c1=S)[C@H]1CCc2ccccc21 ZINC000173308621 623318971 /nfs/dbraw/zinc/31/89/71/623318971.db2.gz OVPGJQCMSJZBFV-HNNXBMFYSA-N 1 2 283.400 3.126 20 30 CGEDLO C#CC[N@H+](Cn1cc[nH]c1=S)[C@H]1CCc2ccccc21 ZINC000173308621 623318975 /nfs/dbraw/zinc/31/89/75/623318975.db2.gz OVPGJQCMSJZBFV-HNNXBMFYSA-N 1 2 283.400 3.126 20 30 CGEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)Cc2ccccc2)o1 ZINC000152236563 623634354 /nfs/dbraw/zinc/63/43/54/623634354.db2.gz KLPINTVFZQIZNZ-UHFFFAOYSA-N 1 2 287.363 3.004 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992986829 623776067 /nfs/dbraw/zinc/77/60/67/623776067.db2.gz HDMGFHFZCKULMQ-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992986829 623776070 /nfs/dbraw/zinc/77/60/70/623776070.db2.gz HDMGFHFZCKULMQ-UKRRQHHQSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Br)C[NH2+]C1(c2ccccc2F)CC1 ZINC000179653006 624674880 /nfs/dbraw/zinc/67/48/80/624674880.db2.gz AOHALHCZZOETOT-UHFFFAOYSA-N 1 2 270.145 3.313 20 30 CGEDLO CCc1[nH]nc(Cl)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000922250835 625990469 /nfs/dbraw/zinc/99/04/69/625990469.db2.gz VQZLQPVBGKKMCW-UHFFFAOYSA-N 1 2 280.803 3.189 20 30 CGEDLO N#Cc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)cs1 ZINC000922700282 626033598 /nfs/dbraw/zinc/03/35/98/626033598.db2.gz MNBODZZEHDDSQO-UHFFFAOYSA-N 1 2 289.429 3.245 20 30 CGEDLO C=CCC1(C(=O)OCc2cc[nH+]c(N)c2)CCCCC1 ZINC000838153278 626194466 /nfs/dbraw/zinc/19/44/66/626194466.db2.gz DWQIASZUCCMBMP-UHFFFAOYSA-N 1 2 274.364 3.234 20 30 CGEDLO C#Cc1cccc(N(C)Cc2cc(OC)cc(C)[nH+]2)c1 ZINC000757089397 626753885 /nfs/dbraw/zinc/75/38/85/626753885.db2.gz NMPBSXLKRDIVHS-UHFFFAOYSA-N 1 2 266.344 3.016 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000762455293 627111326 /nfs/dbraw/zinc/11/13/26/627111326.db2.gz ROBOSVBJKSZATM-ZJUUUORDSA-N 1 2 290.215 3.325 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(Br)cc1F)C1CC1 ZINC000763959292 627187675 /nfs/dbraw/zinc/18/76/75/627187675.db2.gz CJJNDGCGVLTMDS-UHFFFAOYSA-N 1 2 282.156 3.186 20 30 CGEDLO C#CC[N@H+](Cc1ccc(Br)cc1F)C1CC1 ZINC000763959292 627187677 /nfs/dbraw/zinc/18/76/77/627187677.db2.gz CJJNDGCGVLTMDS-UHFFFAOYSA-N 1 2 282.156 3.186 20 30 CGEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)o1 ZINC000767908436 627443790 /nfs/dbraw/zinc/44/37/90/627443790.db2.gz SPDQAPANNUFLTG-UHFFFAOYSA-N 1 2 265.316 3.313 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000769546774 627564514 /nfs/dbraw/zinc/56/45/14/627564514.db2.gz ZPGRVYDBKISECQ-LBPRGKRZSA-N 1 2 275.371 3.016 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000769546774 627564516 /nfs/dbraw/zinc/56/45/16/627564516.db2.gz ZPGRVYDBKISECQ-LBPRGKRZSA-N 1 2 275.371 3.016 20 30 CGEDLO Cc1cccc2c1OC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769607378 627569268 /nfs/dbraw/zinc/56/92/68/627569268.db2.gz JUXRPGNDTCNVTR-JLHYYAGUSA-N 1 2 290.322 3.301 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000772777546 627821017 /nfs/dbraw/zinc/82/10/17/627821017.db2.gz IRYCEEDWUXUXNI-HUUCEWRRSA-N 1 2 287.403 3.331 20 30 CGEDLO C=CCC[C@@H](C)OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000772777546 627821020 /nfs/dbraw/zinc/82/10/20/627821020.db2.gz IRYCEEDWUXUXNI-HUUCEWRRSA-N 1 2 287.403 3.331 20 30 CGEDLO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000774839351 628037020 /nfs/dbraw/zinc/03/70/20/628037020.db2.gz FAKPWGPYUAGYSB-NSHDSACASA-N 1 2 281.197 3.349 20 30 CGEDLO Cc1cc(Br)cc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000774839351 628037023 /nfs/dbraw/zinc/03/70/23/628037023.db2.gz FAKPWGPYUAGYSB-NSHDSACASA-N 1 2 281.197 3.349 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000775342668 628084420 /nfs/dbraw/zinc/08/44/20/628084420.db2.gz SGBVIBJSSVVFBX-GDBMZVCRSA-N 1 2 298.411 3.081 20 30 CGEDLO C#CC[N@@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000775728415 628129516 /nfs/dbraw/zinc/12/95/16/628129516.db2.gz TVWIKTLOXZEGPP-UHFFFAOYSA-N 1 2 263.768 3.423 20 30 CGEDLO C#CC[N@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000775728415 628129520 /nfs/dbraw/zinc/12/95/20/628129520.db2.gz TVWIKTLOXZEGPP-UHFFFAOYSA-N 1 2 263.768 3.423 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000775732239 628130680 /nfs/dbraw/zinc/13/06/80/628130680.db2.gz MNEHJPWCDRRNIT-SNVBAGLBSA-N 1 2 264.756 3.170 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000775732239 628130681 /nfs/dbraw/zinc/13/06/81/628130681.db2.gz MNEHJPWCDRRNIT-SNVBAGLBSA-N 1 2 264.756 3.170 20 30 CGEDLO N#Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)c(Cl)c1 ZINC000777036450 628245787 /nfs/dbraw/zinc/24/57/87/628245787.db2.gz HRBYDSBGWRBJCQ-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO C[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1F ZINC000777965520 628316735 /nfs/dbraw/zinc/31/67/35/628316735.db2.gz ACMVDZSFBJNYSE-BBRMVZONSA-N 1 2 298.365 3.059 20 30 CGEDLO C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1F ZINC000777965520 628316738 /nfs/dbraw/zinc/31/67/38/628316738.db2.gz ACMVDZSFBJNYSE-BBRMVZONSA-N 1 2 298.365 3.059 20 30 CGEDLO CCC(=[NH+]Nc1ccc(OC)cn1)c1ccc(N(C)C)cc1 ZINC000780265682 628474416 /nfs/dbraw/zinc/47/44/16/628474416.db2.gz NVWNRHFYLSOWFN-UHFFFAOYSA-N 1 2 298.390 3.382 20 30 CGEDLO N#CC[N@H+](C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000780291577 628478204 /nfs/dbraw/zinc/47/82/04/628478204.db2.gz YQDZRJYOPVVOCM-HNNXBMFYSA-N 1 2 254.377 3.485 20 30 CGEDLO N#CC[N@@H+](C[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000780291577 628478207 /nfs/dbraw/zinc/47/82/07/628478207.db2.gz YQDZRJYOPVVOCM-HNNXBMFYSA-N 1 2 254.377 3.485 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000780781119 628517170 /nfs/dbraw/zinc/51/71/70/628517170.db2.gz HOUPQPACPXUVCB-UHFFFAOYSA-N 1 2 264.756 3.171 20 30 CGEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc(Br)cs1 ZINC000782368101 628642339 /nfs/dbraw/zinc/64/23/39/628642339.db2.gz BKWPBLZMWQJZIZ-OWOJBTEDSA-N 1 2 283.150 3.130 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)CC(C)(C)C2)c1=S ZINC000784009094 628764849 /nfs/dbraw/zinc/76/48/49/628764849.db2.gz PZLOFHSXNCAJRC-GFCCVEGCSA-N 1 2 294.468 3.234 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1=S ZINC000784009094 628764852 /nfs/dbraw/zinc/76/48/52/628764852.db2.gz PZLOFHSXNCAJRC-GFCCVEGCSA-N 1 2 294.468 3.234 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3cccc(C#N)c3)c[nH+]c12 ZINC000125340315 634685405 /nfs/dbraw/zinc/68/54/05/634685405.db2.gz QLRYZPHTIWIODT-BQYQJAHWSA-N 1 2 287.322 3.411 20 30 CGEDLO C=CC[C@@H](C(=O)OCCCn1cc[nH+]c1)c1ccccc1 ZINC000784832126 628834751 /nfs/dbraw/zinc/83/47/51/628834751.db2.gz IFLAWNXXFQXWGD-MRXNPFEDSA-N 1 2 284.359 3.176 20 30 CGEDLO Cc1cc(C=NNc2[nH+]ccn2C)cc(C)c1OC(F)F ZINC000790300329 629200950 /nfs/dbraw/zinc/20/09/50/629200950.db2.gz RUNQURZJCJLWIY-UHFFFAOYSA-N 1 2 294.305 3.084 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)c(Cl)c1Cl ZINC000790302391 629202181 /nfs/dbraw/zinc/20/21/81/629202181.db2.gz RWPLFMSIXANZMU-UHFFFAOYSA-N 1 2 287.125 3.312 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3ccccc3C2=O)s1 ZINC000794689325 629568080 /nfs/dbraw/zinc/56/80/80/629568080.db2.gz ALMOHNWHBVSYGT-WQLSENKSSA-N 1 2 284.384 3.027 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3ccnc(F)c3)c[nH+]c12 ZINC000794718456 629571006 /nfs/dbraw/zinc/57/10/06/629571006.db2.gz JGHKUERGBAGTEQ-SNAWJCMRSA-N 1 2 281.290 3.073 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CCc1nc2c(s1)CCCC2 ZINC000119533945 629613001 /nfs/dbraw/zinc/61/30/01/629613001.db2.gz CDEBNQZSLDGZET-GZTJUZNOSA-N 1 2 286.400 3.389 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000798086683 630020598 /nfs/dbraw/zinc/02/05/98/630020598.db2.gz UOZYBPIRTWWAKW-BONVTDFDSA-N 1 2 299.773 3.256 20 30 CGEDLO CC(C)(C)C#CCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000798888931 630111704 /nfs/dbraw/zinc/11/17/04/630111704.db2.gz WNLIEQXRNQWDSO-UHFFFAOYSA-N 1 2 282.343 3.079 20 30 CGEDLO Cc1nn(C(C)C)cc1C[N@@H+](CCC#N)CC(C)C ZINC000798940143 630127503 /nfs/dbraw/zinc/12/75/03/630127503.db2.gz AQQRWSYRVCEERN-UHFFFAOYSA-N 1 2 262.401 3.144 20 30 CGEDLO Cc1nn(C(C)C)cc1C[N@H+](CCC#N)CC(C)C ZINC000798940143 630127506 /nfs/dbraw/zinc/12/75/06/630127506.db2.gz AQQRWSYRVCEERN-UHFFFAOYSA-N 1 2 262.401 3.144 20 30 CGEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109803 630143351 /nfs/dbraw/zinc/14/33/51/630143351.db2.gz JZLJAQFGWPVUOX-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1 ZINC000865509867 630160401 /nfs/dbraw/zinc/16/04/01/630160401.db2.gz UVWAPKNWAMSKBF-KRWDZBQOSA-N 1 2 280.375 3.353 20 30 CGEDLO O=C1C=C([NH2+]Nc2ccc(Cl)c(F)c2)[C@@H]2CCCCN12 ZINC000799481616 630188023 /nfs/dbraw/zinc/18/80/23/630188023.db2.gz FKCAWHKTKZWFOD-ZDUSSCGKSA-N 1 2 295.745 3.032 20 30 CGEDLO N#C[C@@H]1CC[C@@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000799720973 630224438 /nfs/dbraw/zinc/22/44/38/630224438.db2.gz OTVWJGJPAOUYEP-UKRRQHHQSA-N 1 2 255.365 3.391 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000799720972 630224850 /nfs/dbraw/zinc/22/48/50/630224850.db2.gz OTVWJGJPAOUYEP-HIFRSBDPSA-N 1 2 255.365 3.391 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCC=C(Br)C2)cc1 ZINC000809660315 630777555 /nfs/dbraw/zinc/77/75/55/630777555.db2.gz FMOCNOYUGRXBNF-UHFFFAOYSA-N 1 2 276.177 3.152 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCC=C(Br)C2)cc1 ZINC000809660315 630777558 /nfs/dbraw/zinc/77/75/58/630777558.db2.gz FMOCNOYUGRXBNF-UHFFFAOYSA-N 1 2 276.177 3.152 20 30 CGEDLO CC(=NOCCOC(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812239626 631229549 /nfs/dbraw/zinc/22/95/49/631229549.db2.gz ZNGBAWHZJIZYHE-UHFFFAOYSA-N 1 2 287.363 3.038 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)CCCC#N)c2)[nH+]c1C ZINC000812480581 631266300 /nfs/dbraw/zinc/26/63/00/631266300.db2.gz PNSIUDATQFFBQK-UHFFFAOYSA-N 1 2 282.347 3.326 20 30 CGEDLO c1cc2c(o1)CCCC2=NNc1cc[nH+]c2ccccc12 ZINC000814841115 631652752 /nfs/dbraw/zinc/65/27/52/631652752.db2.gz BGOSGHGOVHYMPP-UHFFFAOYSA-N 1 2 277.327 3.402 20 30 CGEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1cc(Cl)ccc1Cl ZINC000814861422 631657719 /nfs/dbraw/zinc/65/77/19/631657719.db2.gz UBHQJZUUHZEMTH-UHFFFAOYSA-N 1 2 298.177 3.064 20 30 CGEDLO COc1cc(F)cc(N[NH+]=C(C)c2cc(N)ccc2F)c1 ZINC000814870711 631660538 /nfs/dbraw/zinc/66/05/38/631660538.db2.gz PWNXLMHESADSRK-UHFFFAOYSA-N 1 2 291.301 3.392 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2cncc(C#N)n2)cc1 ZINC000817117657 632083401 /nfs/dbraw/zinc/08/34/01/632083401.db2.gz KYRYTHXUQDICNH-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2cncc(C#N)n2)cc1 ZINC000817117657 632083407 /nfs/dbraw/zinc/08/34/07/632083407.db2.gz KYRYTHXUQDICNH-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO COc1cccc(O)c1/C=N/Cc1cc(C)[nH+]c(C)c1 ZINC000817707477 632201952 /nfs/dbraw/zinc/20/19/52/632201952.db2.gz JYSRJVYSQAJFKP-LICLKQGHSA-N 1 2 270.332 3.032 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@@H]2CC23CCSCC3)c1 ZINC000817708062 632202460 /nfs/dbraw/zinc/20/24/60/632202460.db2.gz RUUWHVKZESTZES-NWRYFCBHSA-N 1 2 291.416 3.353 20 30 CGEDLO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866237804 633039351 /nfs/dbraw/zinc/03/93/51/633039351.db2.gz KDEUNMWNPKGFPI-GUYCJALGSA-N 1 2 296.370 3.302 20 30 CGEDLO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866243605 633042514 /nfs/dbraw/zinc/04/25/14/633042514.db2.gz HXQPNEZPCCTWGN-CHWSQXEVSA-N 1 2 296.370 3.168 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(C#N)c1O ZINC000866253391 633047053 /nfs/dbraw/zinc/04/70/53/633047053.db2.gz YDHMJWKEGLVZES-LBPRGKRZSA-N 1 2 294.354 3.050 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866272451 633056572 /nfs/dbraw/zinc/05/65/72/633056572.db2.gz OKYAUIWUMDTAJB-MLGOLLRUSA-N 1 2 281.359 3.461 20 30 CGEDLO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)CCO1 ZINC000866287870 633067081 /nfs/dbraw/zinc/06/70/81/633067081.db2.gz AXSWGTPASHYLMM-NOLJZWGESA-N 1 2 288.391 3.118 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(C#N)c1O ZINC000866308660 633075489 /nfs/dbraw/zinc/07/54/89/633075489.db2.gz ZMAGYSOZUFVFLV-GFCCVEGCSA-N 1 2 294.354 3.145 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC12CCCC2)c1cccc(C#N)c1O ZINC000866345886 633090975 /nfs/dbraw/zinc/09/09/75/633090975.db2.gz GJXIIPMLIYZSIQ-FZMZJTMJSA-N 1 2 256.349 3.247 20 30 CGEDLO C[C@H]([NH2+]CCCC1CCOCC1)c1cccc(C#N)c1O ZINC000866363783 633102789 /nfs/dbraw/zinc/10/27/89/633102789.db2.gz OABGTWLCLXKGGF-ZDUSSCGKSA-N 1 2 288.391 3.121 20 30 CGEDLO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1O ZINC000866390204 633118007 /nfs/dbraw/zinc/11/80/07/633118007.db2.gz SKXUEZPDDWGOCL-SNVBAGLBSA-N 1 2 250.317 3.053 20 30 CGEDLO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CCCC1 ZINC000866391787 633119336 /nfs/dbraw/zinc/11/93/36/633119336.db2.gz PTFYBOJMYOOIIV-LRDDRELGSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(F)F ZINC000824509297 633251335 /nfs/dbraw/zinc/25/13/35/633251335.db2.gz KRXGVLHIIWVTIB-GXFFZTMASA-N 1 2 268.307 3.111 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)Cc2ccccc21 ZINC000827726182 633513198 /nfs/dbraw/zinc/51/31/98/633513198.db2.gz UHVBDEXJKVWBIX-CYBMUJFWSA-N 1 2 263.344 3.073 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)Cc2ccccc21 ZINC000827726182 633513199 /nfs/dbraw/zinc/51/31/99/633513199.db2.gz UHVBDEXJKVWBIX-CYBMUJFWSA-N 1 2 263.344 3.073 20 30 CGEDLO C#CCCCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000827752837 633515361 /nfs/dbraw/zinc/51/53/61/633515361.db2.gz OZKVYFFPPTXWIU-UHFFFAOYSA-N 1 2 264.332 3.327 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876690394 634881546 /nfs/dbraw/zinc/88/15/46/634881546.db2.gz KIQSZKGXUWNXBV-SECBINFHSA-N 1 2 263.728 3.215 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876690394 634881548 /nfs/dbraw/zinc/88/15/48/634881548.db2.gz KIQSZKGXUWNXBV-SECBINFHSA-N 1 2 263.728 3.215 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000876691072 634882117 /nfs/dbraw/zinc/88/21/17/634882117.db2.gz ZJTMXHZGWFDBCT-NSHDSACASA-N 1 2 257.312 3.108 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000876691072 634882121 /nfs/dbraw/zinc/88/21/21/634882121.db2.gz ZJTMXHZGWFDBCT-NSHDSACASA-N 1 2 257.312 3.108 20 30 CGEDLO C#CC[N@@H+](Cc1nc(Cl)cs1)C1CCCC1 ZINC000876784516 634899646 /nfs/dbraw/zinc/89/96/46/634899646.db2.gz GTNLSVWJIPEOFF-UHFFFAOYSA-N 1 2 254.786 3.174 20 30 CGEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000876866019 634917023 /nfs/dbraw/zinc/91/70/23/634917023.db2.gz MESQZEHMNIPOPA-LSDHHAIUSA-N 1 2 287.407 3.263 20 30 CGEDLO CCCCCCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000876988508 634944144 /nfs/dbraw/zinc/94/41/44/634944144.db2.gz DZWHIOOAFWJHAY-CQSZACIVSA-N 1 2 284.350 3.051 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2(COC)CCC2)c1 ZINC000840707341 635037906 /nfs/dbraw/zinc/03/79/06/635037906.db2.gz UTTZIKSIQIQQQB-LDADJPATSA-N 1 2 291.391 3.417 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC[C@H]2CCOC2)c1 ZINC000840711647 635039664 /nfs/dbraw/zinc/03/96/64/635039664.db2.gz YILLXILVAJFQDL-HNEYUBDGSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1cc(O)c(C[N@H+](CCC#N)CC2CC2)c(Cl)c1 ZINC000840915013 635081507 /nfs/dbraw/zinc/08/15/07/635081507.db2.gz YVSNRRWCFOGSLV-UHFFFAOYSA-N 1 2 278.783 3.480 20 30 CGEDLO Cc1cc(O)c(C[N@@H+](CCC#N)CC2CC2)c(Cl)c1 ZINC000840915013 635081512 /nfs/dbraw/zinc/08/15/12/635081512.db2.gz YVSNRRWCFOGSLV-UHFFFAOYSA-N 1 2 278.783 3.480 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OCC ZINC000877671628 635141181 /nfs/dbraw/zinc/14/11/81/635141181.db2.gz LWHHJBWWNDJPER-NSHDSACASA-N 1 2 295.757 3.228 20 30 CGEDLO N#CC1(CO[NH+]=C(N)Cc2ccccc2Cl)CCC1 ZINC000842024944 635257840 /nfs/dbraw/zinc/25/78/40/635257840.db2.gz KOSCYEIHPADRJI-UHFFFAOYSA-N 1 2 277.755 3.075 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034178 635331025 /nfs/dbraw/zinc/33/10/25/635331025.db2.gz ANMMYBXVGMCWKB-ZANVPECISA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878034178 635331035 /nfs/dbraw/zinc/33/10/35/635331035.db2.gz ANMMYBXVGMCWKB-ZANVPECISA-N 1 2 287.190 3.118 20 30 CGEDLO Cc1conc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000878334414 635463976 /nfs/dbraw/zinc/46/39/76/635463976.db2.gz XTYVIVOKZCLIPU-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO Cc1conc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000878334414 635463977 /nfs/dbraw/zinc/46/39/77/635463977.db2.gz XTYVIVOKZCLIPU-UHFFFAOYSA-N 1 2 279.343 3.144 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2c(o1)CCCC2 ZINC000878386186 635485192 /nfs/dbraw/zinc/48/51/92/635485192.db2.gz OVWJAOKKLUUFAD-UHFFFAOYSA-N 1 2 286.375 3.377 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2c(o1)CCCC2 ZINC000878386186 635485196 /nfs/dbraw/zinc/48/51/96/635485196.db2.gz OVWJAOKKLUUFAD-UHFFFAOYSA-N 1 2 286.375 3.377 20 30 CGEDLO CC(C)([NH2+]Cc1nc2c(o1)CCCC2)c1cccc(C#N)c1 ZINC000878888034 635649952 /nfs/dbraw/zinc/64/99/52/635649952.db2.gz KZDPLXDSCZYFBK-UHFFFAOYSA-N 1 2 295.386 3.450 20 30 CGEDLO C#CCC[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929950 635660513 /nfs/dbraw/zinc/66/05/13/635660513.db2.gz VGKXYWGGFMFNCC-UHFFFAOYSA-N 1 2 281.281 3.037 20 30 CGEDLO C#CCC[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929950 635660515 /nfs/dbraw/zinc/66/05/15/635660515.db2.gz VGKXYWGGFMFNCC-UHFFFAOYSA-N 1 2 281.281 3.037 20 30 CGEDLO C#CC[N@@H+](Cc1ccnn1CC(C)C)Cc1ccccc1 ZINC000843409500 635661372 /nfs/dbraw/zinc/66/13/72/635661372.db2.gz SIRLEKFCVCQQQR-UHFFFAOYSA-N 1 2 281.403 3.175 20 30 CGEDLO C#CC[N@H+](Cc1ccnn1CC(C)C)Cc1ccccc1 ZINC000843409500 635661375 /nfs/dbraw/zinc/66/13/75/635661375.db2.gz SIRLEKFCVCQQQR-UHFFFAOYSA-N 1 2 281.403 3.175 20 30 CGEDLO Cc1cc(C)cc([C@@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000844478035 635913567 /nfs/dbraw/zinc/91/35/67/635913567.db2.gz UPGQGHGHURDHHW-IBGZPJMESA-N 1 2 292.382 3.224 20 30 CGEDLO Cc1cc(C)cc([C@@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000844478035 635913571 /nfs/dbraw/zinc/91/35/71/635913571.db2.gz UPGQGHGHURDHHW-IBGZPJMESA-N 1 2 292.382 3.224 20 30 CGEDLO Cc1cc(C)cc([C@H](O)C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000844478037 635913852 /nfs/dbraw/zinc/91/38/52/635913852.db2.gz UPGQGHGHURDHHW-LJQANCHMSA-N 1 2 292.382 3.224 20 30 CGEDLO Cc1cc(C)cc([C@H](O)C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000844478037 635913856 /nfs/dbraw/zinc/91/38/56/635913856.db2.gz UPGQGHGHURDHHW-LJQANCHMSA-N 1 2 292.382 3.224 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+]([C@H](C)CCC#N)C3 ZINC000880369841 635983651 /nfs/dbraw/zinc/98/36/51/635983651.db2.gz REAAEZSUVZGALK-GFCCVEGCSA-N 1 2 283.375 3.227 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+]([C@H](C)CCC#N)C3 ZINC000880369841 635983652 /nfs/dbraw/zinc/98/36/52/635983652.db2.gz REAAEZSUVZGALK-GFCCVEGCSA-N 1 2 283.375 3.227 20 30 CGEDLO C[C@@H](CC(=O)OCCCCC(C)(C)C#N)n1cc[nH+]c1 ZINC000845283271 636019816 /nfs/dbraw/zinc/01/98/16/636019816.db2.gz BGDYJIDLWMBXKZ-ZDUSSCGKSA-N 1 2 277.368 3.097 20 30 CGEDLO Cc1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cs1 ZINC000106067207 636109473 /nfs/dbraw/zinc/10/94/73/636109473.db2.gz XNGBWASBKXJGTH-UHFFFAOYSA-N 1 2 295.795 3.136 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000846009963 636128999 /nfs/dbraw/zinc/12/89/99/636128999.db2.gz GGVJVIUUYNJJFG-UHFFFAOYSA-N 1 2 264.756 3.219 20 30 CGEDLO C#CCOc1ccc([C@@H](C)Nc2cc(COC)cc[nH+]2)cc1 ZINC000846213912 636160519 /nfs/dbraw/zinc/16/05/19/636160519.db2.gz WDBCIUOWHSWOPI-CQSZACIVSA-N 1 2 296.370 3.413 20 30 CGEDLO Cc1cc(C#N)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000846745875 636220706 /nfs/dbraw/zinc/22/07/06/636220706.db2.gz SJPYKTSZFAJBNY-UHFFFAOYSA-N 1 2 292.386 3.474 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000847019199 636313066 /nfs/dbraw/zinc/31/30/66/636313066.db2.gz PFIXTRSOZXULIF-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000847019199 636313071 /nfs/dbraw/zinc/31/30/71/636313071.db2.gz PFIXTRSOZXULIF-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@H]1CCCC[C@@H]1C ZINC000848416725 636571578 /nfs/dbraw/zinc/57/15/78/636571578.db2.gz VNDDBDUVYUDHMB-ZFWWWQNUSA-N 1 2 262.401 3.065 20 30 CGEDLO CCCC[C@H]1CCCC1N=NCCCn1cc[nH+]c1 ZINC000848419134 636572742 /nfs/dbraw/zinc/57/27/42/636572742.db2.gz ZMSGAOYUDDJZQE-AWEZNQCLSA-N 1 2 262.401 3.209 20 30 CGEDLO CC(C)(C)c1ccc(C=NNCCCn2cc[nH+]c2)s1 ZINC000848418961 636572972 /nfs/dbraw/zinc/57/29/72/636572972.db2.gz TVVBTKALTOVKQM-UHFFFAOYSA-N 1 2 290.436 3.256 20 30 CGEDLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(C#N)c(F)c1 ZINC000883312723 636661650 /nfs/dbraw/zinc/66/16/50/636661650.db2.gz LKAAIGSCTOSLGX-GFCCVEGCSA-N 1 2 296.349 3.217 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCOC(C)(C)C)c1 ZINC000849172462 636764548 /nfs/dbraw/zinc/76/45/48/636764548.db2.gz SLLCHPLYZHWJRF-SFQUDFHCSA-N 1 2 279.380 3.415 20 30 CGEDLO CC(=[NH+]Nc1ncccc1C)c1c(C)cc(N)cc1C ZINC000884453863 637029848 /nfs/dbraw/zinc/02/98/48/637029848.db2.gz ABAPKMGMVFPJFD-UHFFFAOYSA-N 1 2 268.364 3.425 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000852098205 637591502 /nfs/dbraw/zinc/59/15/02/637591502.db2.gz HJYULGBETAMVEK-OAHLLOKOSA-N 1 2 289.766 3.282 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@](C)(C#N)C3)c2cc1C ZINC000852684115 637695693 /nfs/dbraw/zinc/69/56/93/637695693.db2.gz BADDPVYORRXTJH-GOSISDBHSA-N 1 2 296.370 3.145 20 30 CGEDLO Cc1cc2oc(=O)cc(C[N@H+]3CC[C@](C)(C#N)C3)c2cc1C ZINC000852684115 637695697 /nfs/dbraw/zinc/69/56/97/637695697.db2.gz BADDPVYORRXTJH-GOSISDBHSA-N 1 2 296.370 3.145 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCC(F)(F)C1 ZINC000853448641 637847019 /nfs/dbraw/zinc/84/70/19/637847019.db2.gz ONEKSTFGFPMXRZ-LBPRGKRZSA-N 1 2 280.318 3.474 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC1CC(F)(F)C1 ZINC000853534773 637863720 /nfs/dbraw/zinc/86/37/20/637863720.db2.gz QDOYDCIIELODHU-UHFFFAOYSA-N 1 2 266.291 3.083 20 30 CGEDLO CC(C)Oc1ccccc1C=NOCc1ccc[nH+]c1N ZINC000853640559 637879201 /nfs/dbraw/zinc/87/92/01/637879201.db2.gz LMOCLOLLZHZTAZ-UHFFFAOYSA-N 1 2 285.347 3.002 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCS[C@H]1C ZINC000853710798 637898982 /nfs/dbraw/zinc/89/89/82/637898982.db2.gz ZPBIVEOJEMSRFA-STQMWFEESA-N 1 2 276.405 3.180 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ncco1 ZINC000926602730 638790804 /nfs/dbraw/zinc/79/08/04/638790804.db2.gz NVOKTXFZSFGHFK-IAQYHMDHSA-N 1 2 267.332 3.274 20 30 CGEDLO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cccc(C#N)c1O ZINC000926671562 638797058 /nfs/dbraw/zinc/79/70/58/638797058.db2.gz IWNDHEYYSLEXPR-LDZOIKDWSA-N 1 2 288.391 3.120 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cncc(C#N)c1 ZINC000929778341 638949510 /nfs/dbraw/zinc/94/95/10/638949510.db2.gz HHBTXMACNMAWLL-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cncc(C#N)c1 ZINC000929778341 638949511 /nfs/dbraw/zinc/94/95/11/638949511.db2.gz HHBTXMACNMAWLL-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000930350584 638992453 /nfs/dbraw/zinc/99/24/53/638992453.db2.gz JAGSFURKLGWUHG-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000930350584 638992454 /nfs/dbraw/zinc/99/24/54/638992454.db2.gz JAGSFURKLGWUHG-QGZVFWFLSA-N 1 2 281.334 3.024 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(C)C)ns1)C(C)(C)C ZINC000931016803 639098806 /nfs/dbraw/zinc/09/88/06/639098806.db2.gz IGYOKPUCDSHHJY-UHFFFAOYSA-N 1 2 253.415 3.448 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(C)C)ns1)C(C)(C)C ZINC000931016803 639098810 /nfs/dbraw/zinc/09/88/10/639098810.db2.gz IGYOKPUCDSHHJY-UHFFFAOYSA-N 1 2 253.415 3.448 20 30 CGEDLO Cc1[nH]ncc1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000931417783 639146174 /nfs/dbraw/zinc/14/61/74/639146174.db2.gz OZAMMMYENSBJET-UHFFFAOYSA-N 1 2 260.385 3.014 20 30 CGEDLO Cc1[nH]ncc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000931417783 639146177 /nfs/dbraw/zinc/14/61/77/639146177.db2.gz OZAMMMYENSBJET-UHFFFAOYSA-N 1 2 260.385 3.014 20 30 CGEDLO C[N@H+](Cc1cnc(-c2ccccc2)o1)[C@H]1CCC[C@@H]1C#N ZINC000931474288 639157921 /nfs/dbraw/zinc/15/79/21/639157921.db2.gz DTVMKQGTFUCZDA-ZBFHGGJFSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@H]1CCC[C@@H]1C#N ZINC000931474288 639157923 /nfs/dbraw/zinc/15/79/23/639157923.db2.gz DTVMKQGTFUCZDA-ZBFHGGJFSA-N 1 2 281.359 3.466 20 30 CGEDLO CCC(CC)CN(CCC#N)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932040219 639253886 /nfs/dbraw/zinc/25/38/86/639253886.db2.gz LGKCXVKEGORYAA-UHFFFAOYSA-N 1 2 298.390 3.355 20 30 CGEDLO C=C[C@H](CC)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000935235046 639771997 /nfs/dbraw/zinc/77/19/97/639771997.db2.gz YESWEACAFHEEJS-CQSZACIVSA-N 1 2 283.375 3.091 20 30 CGEDLO CC1(C)CCC/C(=C/c2c[nH+]c3ccccn23)C1=O ZINC000159001397 640026807 /nfs/dbraw/zinc/02/68/07/640026807.db2.gz RUFPSMUITLYLQR-BENRWUELSA-N 1 2 254.333 3.497 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCCCCC2)C1 ZINC000949770299 640244221 /nfs/dbraw/zinc/24/42/21/640244221.db2.gz WVZCOZZDKMKCAP-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO COc1cc2[nH+]c(CCc3ccc(C#N)cc3)[nH]c2cc1F ZINC001250581527 805705734 /nfs/dbraw/zinc/70/57/34/805705734.db2.gz DBMDSPXCUYIXAJ-UHFFFAOYSA-N 1 2 295.317 3.367 20 30 CGEDLO COc1cc2[nH]c(CCc3ccc(C#N)cc3)[nH+]c2cc1F ZINC001250581527 805705737 /nfs/dbraw/zinc/70/57/37/805705737.db2.gz DBMDSPXCUYIXAJ-UHFFFAOYSA-N 1 2 295.317 3.367 20 30 CGEDLO COc1ccc2[nH]c(CCc3cccc(C#N)c3)[nH+]c2c1 ZINC001250581778 805705900 /nfs/dbraw/zinc/70/59/00/805705900.db2.gz NSBHRJHIJYOMDU-UHFFFAOYSA-N 1 2 277.327 3.228 20 30 CGEDLO C#Cc1ccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)cc1 ZINC001251007040 805825215 /nfs/dbraw/zinc/82/52/15/805825215.db2.gz BFZCCKKZWSWZJG-UHFFFAOYSA-N 1 2 261.328 3.277 20 30 CGEDLO N#Cc1ccccc1OC1CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001158776996 806001656 /nfs/dbraw/zinc/00/16/56/806001656.db2.gz GLIRBCCMADGICP-UHFFFAOYSA-N 1 2 291.354 3.098 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)C(=O)OCC ZINC001252136288 806022043 /nfs/dbraw/zinc/02/20/43/806022043.db2.gz NLMDTZZYTQEJST-AWEZNQCLSA-N 1 2 287.444 3.029 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+][C@H](CC)C(=O)OCC ZINC001252140754 806025309 /nfs/dbraw/zinc/02/53/09/806025309.db2.gz TWVJWTRZYUMHFN-LSDHHAIUSA-N 1 2 287.444 3.029 20 30 CGEDLO CCCC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253355895 806209274 /nfs/dbraw/zinc/20/92/74/806209274.db2.gz FTXSPTNVQSCJIF-OAHLLOKOSA-N 1 2 282.334 3.014 20 30 CGEDLO CCCC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253355895 806209280 /nfs/dbraw/zinc/20/92/80/806209280.db2.gz FTXSPTNVQSCJIF-OAHLLOKOSA-N 1 2 282.334 3.014 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCc2ccccc2CC1)C(=O)OCC ZINC001254455109 806406213 /nfs/dbraw/zinc/40/62/13/806406213.db2.gz WVVYGKSABGZZGN-APWZRJJASA-N 1 2 299.414 3.031 20 30 CGEDLO COC(=[NH2+])c1cccc(N[C@@H](C#N)c2ccccc2)c1 ZINC001161721639 806434851 /nfs/dbraw/zinc/43/48/51/806434851.db2.gz PKVIPZGRVXXKLN-HNNXBMFYSA-N 1 2 265.316 3.335 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001255162381 806560843 /nfs/dbraw/zinc/56/08/43/806560843.db2.gz OPZDTIKIRBALQN-GXTWGEPZSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255163474 806560896 /nfs/dbraw/zinc/56/08/96/806560896.db2.gz AIQCQOAARGQTDB-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255163474 806560902 /nfs/dbraw/zinc/56/09/02/806560902.db2.gz AIQCQOAARGQTDB-UONOGXRCSA-N 1 2 295.427 3.010 20 30 CGEDLO CC1(C)CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001255303859 806601405 /nfs/dbraw/zinc/60/14/05/806601405.db2.gz BZHPFIAPPYUJPA-CYBMUJFWSA-N 1 2 265.422 3.229 20 30 CGEDLO CC1(C)CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001255303859 806601411 /nfs/dbraw/zinc/60/14/11/806601411.db2.gz BZHPFIAPPYUJPA-CYBMUJFWSA-N 1 2 265.422 3.229 20 30 CGEDLO CCCOc1ccc(C[NH2+]CCC#N)c(OCCC)c1 ZINC000345287177 799295460 /nfs/dbraw/zinc/29/54/60/799295460.db2.gz ALBXPYPPOCDWOX-UHFFFAOYSA-N 1 2 276.380 3.267 20 30 CGEDLO C[N@H+](CCCC#N)Cc1cscc1Br ZINC000709947935 800023840 /nfs/dbraw/zinc/02/38/40/800023840.db2.gz ANAOFPRMVADKFG-UHFFFAOYSA-N 1 2 273.199 3.246 20 30 CGEDLO C[N@@H+](CCCC#N)Cc1cscc1Br ZINC000709947935 800023848 /nfs/dbraw/zinc/02/38/48/800023848.db2.gz ANAOFPRMVADKFG-UHFFFAOYSA-N 1 2 273.199 3.246 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)s1 ZINC000719403395 800238627 /nfs/dbraw/zinc/23/86/27/800238627.db2.gz SFVWWJJEKJLRMV-UHFFFAOYSA-N 1 2 269.782 3.019 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000719445736 800239084 /nfs/dbraw/zinc/23/90/84/800239084.db2.gz BCHKSRMZQLZWGG-UHFFFAOYSA-N 1 2 299.599 3.496 20 30 CGEDLO CN(C)c1ccc(C=[NH+]OCCC(F)(F)F)cc1F ZINC000777459688 800387941 /nfs/dbraw/zinc/38/79/41/800387941.db2.gz UGRYEWKKUOVNOG-UHFFFAOYSA-N 1 2 278.249 3.195 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cnc([C@H](C)O)s1 ZINC000809539983 800442697 /nfs/dbraw/zinc/44/26/97/800442697.db2.gz GYUPZJKVMVRGPP-NSHDSACASA-N 1 2 294.445 3.446 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnc([C@H](C)O)s1 ZINC000809539983 800442701 /nfs/dbraw/zinc/44/27/01/800442701.db2.gz GYUPZJKVMVRGPP-NSHDSACASA-N 1 2 294.445 3.446 20 30 CGEDLO C#C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(C)cc1 ZINC000860962367 800525385 /nfs/dbraw/zinc/52/53/85/800525385.db2.gz PHZIGSHMJDMHDE-GDBMZVCRSA-N 1 2 282.343 3.060 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108813 800954403 /nfs/dbraw/zinc/95/44/03/800954403.db2.gz UVCILFCRAFKAEZ-ZBFHGGJFSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108813 800954408 /nfs/dbraw/zinc/95/44/08/800954408.db2.gz UVCILFCRAFKAEZ-ZBFHGGJFSA-N 1 2 296.842 3.018 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001117681400 802476601 /nfs/dbraw/zinc/47/66/01/802476601.db2.gz NGKJKPZZIFAXNK-UHFFFAOYSA-N 1 2 269.392 3.188 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001117681400 802476607 /nfs/dbraw/zinc/47/66/07/802476607.db2.gz NGKJKPZZIFAXNK-UHFFFAOYSA-N 1 2 269.392 3.188 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(C2=CC[C@@H](C#N)CC2)cc1C#N ZINC001243793680 803011609 /nfs/dbraw/zinc/01/16/09/803011609.db2.gz NHJVPOUIRZBEFP-HMHKGCENSA-N 1 2 278.359 3.487 20 30 CGEDLO N#C[C@@H]1CC=C(c2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC001243801232 803018507 /nfs/dbraw/zinc/01/85/07/803018507.db2.gz XQNZFAALFPPSLN-CYBMUJFWSA-N 1 2 264.332 3.033 20 30 CGEDLO N#CC1(c2cccc(-c3c[nH+]c4c(c3)CCCN4)c2)CC1 ZINC001244074942 803172175 /nfs/dbraw/zinc/17/21/75/803172175.db2.gz KKPFPZIPSKLUQN-UHFFFAOYSA-N 1 2 275.355 3.305 20 30 CGEDLO Cc1cc(C)c(CNC(=O)[C@H](CC#N)c2ccccc2)c[nH+]1 ZINC001129715653 803250323 /nfs/dbraw/zinc/25/03/23/803250323.db2.gz YKWZSVGKATVZBC-QGZVFWFLSA-N 1 2 293.370 3.012 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(-c3ccc(C)c(C#N)c3)nn2)c1C ZINC001244483527 803394051 /nfs/dbraw/zinc/39/40/51/803394051.db2.gz UFNDNMQFZIOBBV-UHFFFAOYSA-N 1 2 289.342 3.126 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397767 803400539 /nfs/dbraw/zinc/40/05/39/803400539.db2.gz WMNJXUYZBAQNJA-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397767 803400542 /nfs/dbraw/zinc/40/05/42/803400542.db2.gz WMNJXUYZBAQNJA-KBPBESRZSA-N 1 2 298.858 3.288 20 30 CGEDLO CNc1cc(-c2ccc(OCCC#N)cc2)cc[nH+]1 ZINC001244975171 803599350 /nfs/dbraw/zinc/59/93/50/803599350.db2.gz CSFGHNBCTPSYHQ-UHFFFAOYSA-N 1 2 253.305 3.083 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnccc1Cl ZINC001137235525 803701705 /nfs/dbraw/zinc/70/17/05/803701705.db2.gz RZEBKGICEZOWCK-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccc1Cl ZINC001137235525 803701709 /nfs/dbraw/zinc/70/17/09/803701709.db2.gz RZEBKGICEZOWCK-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(F)c(OC)c(F)c1 ZINC001138424139 803929472 /nfs/dbraw/zinc/92/94/72/803929472.db2.gz LZPVZJRNXNJINF-UHFFFAOYSA-N 1 2 282.334 3.489 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(F)c(OC)c(F)c1 ZINC001138424139 803929477 /nfs/dbraw/zinc/92/94/77/803929477.db2.gz LZPVZJRNXNJINF-UHFFFAOYSA-N 1 2 282.334 3.489 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1c(C)nn(CC)c1C ZINC001138644131 803992844 /nfs/dbraw/zinc/99/28/44/803992844.db2.gz JVECRQMYFRFARA-UHFFFAOYSA-N 1 2 262.401 3.036 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1c(C)nn(CC)c1C ZINC001138644131 803992847 /nfs/dbraw/zinc/99/28/47/803992847.db2.gz JVECRQMYFRFARA-UHFFFAOYSA-N 1 2 262.401 3.036 20 30 CGEDLO N#Cc1cn(-c2cc[nH+]cc2Cl)c2cc(N)ccc12 ZINC001212160429 814986528 /nfs/dbraw/zinc/98/65/28/814986528.db2.gz SUQUKZWEAGLFLS-UHFFFAOYSA-N 1 2 268.707 3.133 20 30 CGEDLO C=CCOc1ccccc1C[N@H+](CCC)CCC#N ZINC001139029928 804113483 /nfs/dbraw/zinc/11/34/83/804113483.db2.gz WLUHDXJFWAHEBB-UHFFFAOYSA-N 1 2 258.365 3.377 20 30 CGEDLO C=CCOc1ccccc1C[N@@H+](CCC)CCC#N ZINC001139029928 804113487 /nfs/dbraw/zinc/11/34/87/804113487.db2.gz WLUHDXJFWAHEBB-UHFFFAOYSA-N 1 2 258.365 3.377 20 30 CGEDLO CC(C)O[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139693352 804256304 /nfs/dbraw/zinc/25/63/04/804256304.db2.gz DDXLVKPDIRHSOZ-ZDUSSCGKSA-N 1 2 278.783 3.211 20 30 CGEDLO CC(C)O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139693352 804256311 /nfs/dbraw/zinc/25/63/11/804256311.db2.gz DDXLVKPDIRHSOZ-ZDUSSCGKSA-N 1 2 278.783 3.211 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](F)C2)c(F)c1 ZINC001140136232 804385075 /nfs/dbraw/zinc/38/50/75/804385075.db2.gz PSIQHJPYYNHTIY-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(F)c1 ZINC001140136232 804385082 /nfs/dbraw/zinc/38/50/82/804385082.db2.gz PSIQHJPYYNHTIY-CYBMUJFWSA-N 1 2 250.292 3.021 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(Br)cc1N ZINC001140223599 804402118 /nfs/dbraw/zinc/40/21/18/804402118.db2.gz JWGIHUFTICILAY-UHFFFAOYSA-N 1 2 296.212 3.157 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(Br)cc1N ZINC001140223599 804402121 /nfs/dbraw/zinc/40/21/21/804402121.db2.gz JWGIHUFTICILAY-UHFFFAOYSA-N 1 2 296.212 3.157 20 30 CGEDLO COC(=O)c1ccc(C[N@H+](CCC#N)C2CCCC2)s1 ZINC001140523692 804450676 /nfs/dbraw/zinc/45/06/76/804450676.db2.gz UMQDISLTJWRCTP-UHFFFAOYSA-N 1 2 292.404 3.193 20 30 CGEDLO COC(=O)c1ccc(C[N@@H+](CCC#N)C2CCCC2)s1 ZINC001140523692 804450680 /nfs/dbraw/zinc/45/06/80/804450680.db2.gz UMQDISLTJWRCTP-UHFFFAOYSA-N 1 2 292.404 3.193 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001141163830 804602025 /nfs/dbraw/zinc/60/20/25/804602025.db2.gz VIFKKNVIGBYSPQ-BETUJISGSA-N 1 2 280.293 3.174 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001141163830 804602029 /nfs/dbraw/zinc/60/20/29/804602029.db2.gz VIFKKNVIGBYSPQ-BETUJISGSA-N 1 2 280.293 3.174 20 30 CGEDLO N#CCC1C[NH+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143256435 804829304 /nfs/dbraw/zinc/82/93/04/804829304.db2.gz KOMDRUWAWJYIDF-UHFFFAOYSA-N 1 2 288.244 3.070 20 30 CGEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(S)CC1 ZINC001143726004 804887376 /nfs/dbraw/zinc/88/73/76/804887376.db2.gz BIGWTNNTRYMBDK-UHFFFAOYSA-N 1 2 266.797 3.106 20 30 CGEDLO C[N@H+](CC#N)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021622 807029542 /nfs/dbraw/zinc/02/95/42/807029542.db2.gz YJKTXFPXJBUVAD-UHFFFAOYSA-N 1 2 253.349 3.040 20 30 CGEDLO C[N@@H+](CC#N)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021622 807029549 /nfs/dbraw/zinc/02/95/49/807029549.db2.gz YJKTXFPXJBUVAD-UHFFFAOYSA-N 1 2 253.349 3.040 20 30 CGEDLO CCCCOC1C[NH+](Cc2ccc(C#N)cc2CC)C1 ZINC001248751084 804984056 /nfs/dbraw/zinc/98/40/56/804984056.db2.gz IPVPBDVIORYEOY-UHFFFAOYSA-N 1 2 272.392 3.122 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@@H]4CCCO[C@@H]4C3)c2c1 ZINC001165330176 806994889 /nfs/dbraw/zinc/99/48/89/806994889.db2.gz DQAPMFDQDDMCOH-DOTOQJQBSA-N 1 2 293.370 3.112 20 30 CGEDLO Cc1cc(Cl)c(C)c(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC001166743799 807090655 /nfs/dbraw/zinc/09/06/55/807090655.db2.gz YXCLYDLPQGWDSI-GFCCVEGCSA-N 1 2 263.772 3.482 20 30 CGEDLO CCC[C@](C)(C#N)[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258028657 807268755 /nfs/dbraw/zinc/26/87/55/807268755.db2.gz NUIBKRQHGWGDCL-ZBCRRDGASA-N 1 2 280.412 3.170 20 30 CGEDLO CCCCCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001258042685 807272999 /nfs/dbraw/zinc/27/29/99/807272999.db2.gz UVADWYHGQMDZFE-OLZOCXBDSA-N 1 2 275.458 3.187 20 30 CGEDLO O=C1C=C2C[N@H+](C3CCCCCCC3)CC[C@H]2S1 ZINC001258237463 807383101 /nfs/dbraw/zinc/38/31/01/807383101.db2.gz LHKOOAXBOKLXMC-CQSZACIVSA-N 1 2 265.422 3.373 20 30 CGEDLO O=C1C=C2C[N@@H+](C3CCCCCCC3)CC[C@H]2S1 ZINC001258237463 807383112 /nfs/dbraw/zinc/38/31/12/807383112.db2.gz LHKOOAXBOKLXMC-CQSZACIVSA-N 1 2 265.422 3.373 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001168482296 807433404 /nfs/dbraw/zinc/43/34/04/807433404.db2.gz WAMUSQJVDQKAKP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001168482296 807433408 /nfs/dbraw/zinc/43/34/08/807433408.db2.gz WAMUSQJVDQKAKP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001168482296 807433411 /nfs/dbraw/zinc/43/34/11/807433411.db2.gz WAMUSQJVDQKAKP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001168482296 807433417 /nfs/dbraw/zinc/43/34/17/807433417.db2.gz WAMUSQJVDQKAKP-IAQYHMDHSA-N 1 2 291.391 3.031 20 30 CGEDLO COc1ccc(CC[C@H](C)[N@@H+]2CCC[C@H]2C#N)cc1 ZINC001258396799 807439029 /nfs/dbraw/zinc/43/90/29/807439029.db2.gz CEDHGXFFAKNTHO-ZFWWWQNUSA-N 1 2 258.365 3.004 20 30 CGEDLO COc1ccc(CC[C@H](C)[N@H+]2CCC[C@H]2C#N)cc1 ZINC001258396799 807439034 /nfs/dbraw/zinc/43/90/34/807439034.db2.gz CEDHGXFFAKNTHO-ZFWWWQNUSA-N 1 2 258.365 3.004 20 30 CGEDLO Cc1c(N)cc[nH+]c1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169377208 807634648 /nfs/dbraw/zinc/63/46/48/807634648.db2.gz XRWYGWNMZQBEQG-HNNXBMFYSA-N 1 2 286.766 3.477 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC001169845886 807716207 /nfs/dbraw/zinc/71/62/07/807716207.db2.gz YAVGZJOECVFBLE-CYBMUJFWSA-N 1 2 291.354 3.343 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC001169845886 807716211 /nfs/dbraw/zinc/71/62/11/807716211.db2.gz YAVGZJOECVFBLE-CYBMUJFWSA-N 1 2 291.354 3.343 20 30 CGEDLO C#CCOCC[N@@H+](C)Cc1cc(Cl)sc1Cl ZINC001261262102 807725334 /nfs/dbraw/zinc/72/53/34/807725334.db2.gz MEHRHUZODAUQSD-UHFFFAOYSA-N 1 2 278.204 3.137 20 30 CGEDLO C#CCOCC[N@H+](C)Cc1cc(Cl)sc1Cl ZINC001261262102 807725339 /nfs/dbraw/zinc/72/53/39/807725339.db2.gz MEHRHUZODAUQSD-UHFFFAOYSA-N 1 2 278.204 3.137 20 30 CGEDLO C=CCCCNc1c(Br)ccc2[nH+]ccn21 ZINC001170301912 807820828 /nfs/dbraw/zinc/82/08/28/807820828.db2.gz JSHSIPXEERZCJL-UHFFFAOYSA-N 1 2 280.169 3.475 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@@H]([N@@H+]1CC[C@H](C#N)C1)CC2 ZINC001171322101 808026759 /nfs/dbraw/zinc/02/67/59/808026759.db2.gz RZOZKXLXCJABAQ-NEPJUHHUSA-N 1 2 290.794 3.051 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CC[C@H](C#N)C1)CC2 ZINC001171322101 808026762 /nfs/dbraw/zinc/02/67/62/808026762.db2.gz RZOZKXLXCJABAQ-NEPJUHHUSA-N 1 2 290.794 3.051 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388209 808043302 /nfs/dbraw/zinc/04/33/02/808043302.db2.gz MNJOVYFTADXDTI-SMDDNHRTSA-N 1 2 276.330 3.058 20 30 CGEDLO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171388209 808043310 /nfs/dbraw/zinc/04/33/10/808043310.db2.gz MNJOVYFTADXDTI-SMDDNHRTSA-N 1 2 276.330 3.058 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548212 808089942 /nfs/dbraw/zinc/08/99/42/808089942.db2.gz WMLQBLMEJMVZSQ-BDJLRTHQSA-N 1 2 294.320 3.197 20 30 CGEDLO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171548212 808089949 /nfs/dbraw/zinc/08/99/49/808089949.db2.gz WMLQBLMEJMVZSQ-BDJLRTHQSA-N 1 2 294.320 3.197 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001265222621 808120709 /nfs/dbraw/zinc/12/07/09/808120709.db2.gz IGNXWXYQIRTTNA-AWEZNQCLSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001265222621 808120712 /nfs/dbraw/zinc/12/07/12/808120712.db2.gz IGNXWXYQIRTTNA-AWEZNQCLSA-N 1 2 284.831 3.066 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+][C@H](C#N)CC(C)C)CC1 ZINC001171943928 808157631 /nfs/dbraw/zinc/15/76/31/808157631.db2.gz GFXKKMNAUWTORQ-BBBYJDLNSA-N 1 2 280.412 3.026 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C(CC)CC ZINC001265639374 808163131 /nfs/dbraw/zinc/16/31/31/808163131.db2.gz VIIOJKYKOCESRA-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C(CC)CC ZINC001265639374 808163134 /nfs/dbraw/zinc/16/31/34/808163134.db2.gz VIIOJKYKOCESRA-AWEZNQCLSA-N 1 2 286.847 3.146 20 30 CGEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001172347525 808245922 /nfs/dbraw/zinc/24/59/22/808245922.db2.gz WFVPBYSPNSZLDQ-STQMWFEESA-N 1 2 275.458 3.187 20 30 CGEDLO CC[NH+](CC)c1ccc(Nc2onc(C)c2C#N)cc1 ZINC001212967952 815191537 /nfs/dbraw/zinc/19/15/37/815191537.db2.gz AGBRRCYJKQMCLI-UHFFFAOYSA-N 1 2 270.336 3.445 20 30 CGEDLO N#Cc1cc(F)cc(F)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213033701 815206914 /nfs/dbraw/zinc/20/69/14/815206914.db2.gz SQFZYAMKRNKMJP-UHFFFAOYSA-N 1 2 270.242 3.456 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001267737700 808480369 /nfs/dbraw/zinc/48/03/69/808480369.db2.gz YWBFMXCIEMDJQY-ZIAGYGMSSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001267737700 808480374 /nfs/dbraw/zinc/48/03/74/808480374.db2.gz YWBFMXCIEMDJQY-ZIAGYGMSSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CCCC)C1 ZINC001267761987 808486750 /nfs/dbraw/zinc/48/67/50/808486750.db2.gz MQUQPNUDQRAATF-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CCCC)C1 ZINC001267761987 808486752 /nfs/dbraw/zinc/48/67/52/808486752.db2.gz MQUQPNUDQRAATF-GXTWGEPZSA-N 1 2 286.847 3.098 20 30 CGEDLO CCCOC1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001173092378 808505465 /nfs/dbraw/zinc/50/54/65/808505465.db2.gz PBEXUYDQYYRALJ-NRXISQOPSA-N 1 2 252.402 3.252 20 30 CGEDLO CCCC[N@H+](CCC#N)[C@@H]1COc2cccc(OC)c2C1 ZINC001173164750 808528959 /nfs/dbraw/zinc/52/89/59/808528959.db2.gz XTVVPLOQLBRTKB-AWEZNQCLSA-N 1 2 288.391 3.014 20 30 CGEDLO CCCC[N@@H+](CCC#N)[C@@H]1COc2cccc(OC)c2C1 ZINC001173164750 808528965 /nfs/dbraw/zinc/52/89/65/808528965.db2.gz XTVVPLOQLBRTKB-AWEZNQCLSA-N 1 2 288.391 3.014 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CCCCC)C1 ZINC001269306549 808667433 /nfs/dbraw/zinc/66/74/33/808667433.db2.gz GBJUFLDRXBYDFA-AWEZNQCLSA-N 1 2 286.847 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCCC)C1 ZINC001269306549 808667440 /nfs/dbraw/zinc/66/74/40/808667440.db2.gz GBJUFLDRXBYDFA-AWEZNQCLSA-N 1 2 286.847 3.242 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001269849014 808707977 /nfs/dbraw/zinc/70/79/77/808707977.db2.gz DGQUPWOYLJFFQD-MRXNPFEDSA-N 1 2 292.467 3.478 20 30 CGEDLO N#Cc1ccc(O)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213089966 815230921 /nfs/dbraw/zinc/23/09/21/815230921.db2.gz NHWDZSRBJYKPOS-UHFFFAOYSA-N 1 2 276.299 3.398 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C=C1CCCCC1 ZINC001275783228 808965704 /nfs/dbraw/zinc/96/57/04/808965704.db2.gz TVINHOJEPZFCGJ-ZDUSSCGKSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C=C1CCCCC1 ZINC001275783228 808965706 /nfs/dbraw/zinc/96/57/06/808965706.db2.gz TVINHOJEPZFCGJ-ZDUSSCGKSA-N 1 2 284.831 3.066 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(=O)OC(C)(C)C)cc2)cc[nH+]1 ZINC001174426637 809016494 /nfs/dbraw/zinc/01/64/94/809016494.db2.gz WAWDMUBHWXMBLG-UHFFFAOYSA-N 1 2 294.354 3.184 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001277671687 809088102 /nfs/dbraw/zinc/08/81/02/809088102.db2.gz ZWIKMBXOLPAUNP-ZIAGYGMSSA-N 1 2 280.456 3.023 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(C(F)(F)F)c2)cc[nH+]1 ZINC001175060140 809256376 /nfs/dbraw/zinc/25/63/76/809256376.db2.gz GMDABSLPDMFDIF-UHFFFAOYSA-N 1 2 280.224 3.386 20 30 CGEDLO N#Cc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)ccc1N ZINC001213436182 815281556 /nfs/dbraw/zinc/28/15/56/815281556.db2.gz VIHIJSXMYZBYBP-UHFFFAOYSA-N 1 2 275.315 3.070 20 30 CGEDLO Cc1c[nH+]cc(-n2ccc3c2cc(C#N)cc3N)c1C ZINC001213532927 815301625 /nfs/dbraw/zinc/30/16/25/815301625.db2.gz WTFPNDOIPGSVGY-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO Cc1[nH]c([C@H]2CCCN2Cc2cccc(C#N)c2F)[nH+]c1C ZINC001176078431 809617301 /nfs/dbraw/zinc/61/73/01/809617301.db2.gz QXVHBNPWZRHCPS-OAHLLOKOSA-N 1 2 298.365 3.374 20 30 CGEDLO COc1cc[nH+]cc1Nc1ccc(C#N)c2ncccc12 ZINC001176124387 809630328 /nfs/dbraw/zinc/63/03/28/809630328.db2.gz KVUWHJNMXOBWQY-UHFFFAOYSA-N 1 2 276.299 3.254 20 30 CGEDLO COc1cc2ccccc2cc1C[NH2+][C@H](C)CC#N ZINC001179478806 809923997 /nfs/dbraw/zinc/92/39/97/809923997.db2.gz FPTDRPJRKXEYKQ-GFCCVEGCSA-N 1 2 254.333 3.240 20 30 CGEDLO N#Cc1csc(CNc2[nH]c3ccc(Cl)cc3[nH+]2)n1 ZINC001179515570 809927373 /nfs/dbraw/zinc/92/73/73/809927373.db2.gz DQRBPWDXIGONCH-UHFFFAOYSA-N 1 2 289.751 3.157 20 30 CGEDLO N#Cc1csc(CNc2[nH]c3cc(Cl)ccc3[nH+]2)n1 ZINC001179515570 809927374 /nfs/dbraw/zinc/92/73/74/809927374.db2.gz DQRBPWDXIGONCH-UHFFFAOYSA-N 1 2 289.751 3.157 20 30 CGEDLO CCCCCCCOC(=O)NCc1c[nH+]cn1CC1CC1 ZINC001194020454 811003077 /nfs/dbraw/zinc/00/30/77/811003077.db2.gz YVZOWIXTSNBSQY-UHFFFAOYSA-N 1 2 293.411 3.490 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CC2CCC1CC2 ZINC001195876189 811298419 /nfs/dbraw/zinc/29/84/19/811298419.db2.gz HDHHHOHXYQOJFN-UYSNPLJNSA-N 1 2 291.435 3.090 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CC2CCC1CC2 ZINC001195876189 811298425 /nfs/dbraw/zinc/29/84/25/811298425.db2.gz HDHHHOHXYQOJFN-UYSNPLJNSA-N 1 2 291.435 3.090 20 30 CGEDLO COc1ccc(Nc2ccc3c(c2)[nH+]cn3C)cc1C#N ZINC001215002826 815475701 /nfs/dbraw/zinc/47/57/01/815475701.db2.gz UMFQOJWTGZVFQM-UHFFFAOYSA-N 1 2 278.315 3.197 20 30 CGEDLO N#Cc1ccc(Br)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201295952 811811616 /nfs/dbraw/zinc/81/16/16/811811616.db2.gz ZCRLTFMZQJNSHF-UHFFFAOYSA-N 1 2 289.136 3.042 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cccc(OC)c1OC ZINC001203449881 812361411 /nfs/dbraw/zinc/36/14/11/812361411.db2.gz XMDITNMFDXVSHR-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cccc(OC)c1OC ZINC001203449881 812361421 /nfs/dbraw/zinc/36/14/21/812361421.db2.gz XMDITNMFDXVSHR-UHFFFAOYSA-N 1 2 276.380 3.220 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(OC)c(C)c1OC ZINC001204262174 812590135 /nfs/dbraw/zinc/59/01/35/812590135.db2.gz MDLAWBDGPARJLZ-UHFFFAOYSA-N 1 2 276.380 3.138 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(C)c1OC ZINC001204262174 812590137 /nfs/dbraw/zinc/59/01/37/812590137.db2.gz MDLAWBDGPARJLZ-UHFFFAOYSA-N 1 2 276.380 3.138 20 30 CGEDLO C=CCOc1ccc(C[NH+]2CC(OCCCC)C2)cc1 ZINC001204300651 812605314 /nfs/dbraw/zinc/60/53/14/812605314.db2.gz XZXQLBFOKDCLLA-UHFFFAOYSA-N 1 2 275.392 3.252 20 30 CGEDLO CCCCCCCOc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001204368497 812622350 /nfs/dbraw/zinc/62/23/50/812622350.db2.gz GFBUEAZRSVMYRF-UHFFFAOYSA-N 1 2 277.408 3.212 20 30 CGEDLO Cc1ccc(-c2cc(-n3cc[nH+]c3)ccn2)c(C#N)c1 ZINC001242591763 823049625 /nfs/dbraw/zinc/04/96/25/823049625.db2.gz YFQWMPIVZZSBNQ-UHFFFAOYSA-N 1 2 260.300 3.114 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3ccccc3F)CCC2S1 ZINC001207492805 813576184 /nfs/dbraw/zinc/57/61/84/813576184.db2.gz ZNBBQFSQPLRATD-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3ccccc3F)CCC2S1 ZINC001207492805 813576188 /nfs/dbraw/zinc/57/61/88/813576188.db2.gz ZNBBQFSQPLRATD-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@H+](CCCc3ccccc3F)CC[C@H]2S1 ZINC001207492805 813576193 /nfs/dbraw/zinc/57/61/93/813576193.db2.gz ZNBBQFSQPLRATD-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCc3ccccc3F)CC[C@H]2S1 ZINC001207492805 813576196 /nfs/dbraw/zinc/57/61/96/813576196.db2.gz ZNBBQFSQPLRATD-OAHLLOKOSA-N 1 2 291.391 3.032 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1CCOC[C@@H]1COC ZINC001208124370 813698446 /nfs/dbraw/zinc/69/84/46/813698446.db2.gz NIFGWKOXJMNHSN-SCOAYWHSSA-N 1 2 269.429 3.250 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1CCOC[C@@H]1COC ZINC001208124370 813698451 /nfs/dbraw/zinc/69/84/51/813698451.db2.gz NIFGWKOXJMNHSN-SCOAYWHSSA-N 1 2 269.429 3.250 20 30 CGEDLO CC1(C#N)C[NH+](CC2(c3ccccc3)CCCC2)C1 ZINC001208770355 813836539 /nfs/dbraw/zinc/83/65/39/813836539.db2.gz ABMNOZUPNDDLAU-UHFFFAOYSA-N 1 2 254.377 3.344 20 30 CGEDLO COc1cc(C#N)ccc1Nc1cccc2[nH+]c(C)cn21 ZINC001209234048 813978755 /nfs/dbraw/zinc/97/87/55/813978755.db2.gz GBWWLUFUXALRMX-UHFFFAOYSA-N 1 2 278.315 3.267 20 30 CGEDLO Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCC#N)cc1 ZINC001209518635 814073133 /nfs/dbraw/zinc/07/31/33/814073133.db2.gz NYHUSLSNOFNWBU-UHFFFAOYSA-N 1 2 267.376 3.440 20 30 CGEDLO Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001209518635 814073140 /nfs/dbraw/zinc/07/31/40/814073140.db2.gz NYHUSLSNOFNWBU-UHFFFAOYSA-N 1 2 267.376 3.440 20 30 CGEDLO SC1CC[NH+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209755981 814131148 /nfs/dbraw/zinc/13/11/48/814131148.db2.gz UFACPAFMOUHWAS-UHFFFAOYSA-N 1 2 281.812 3.111 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C)cc1C#N ZINC001210566417 814531528 /nfs/dbraw/zinc/53/15/28/814531528.db2.gz DNPWLQGUBLQLJO-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO COc1cc(Nc2cc(F)cc(F)c2C#N)cc(C)[nH+]1 ZINC001210783588 814627951 /nfs/dbraw/zinc/62/79/51/814627951.db2.gz GJEJANSQZHSDLT-UHFFFAOYSA-N 1 2 275.258 3.292 20 30 CGEDLO Cc1cc(Nc2[nH+]cccc2N(C)C)ccc1C#N ZINC001210809742 814638959 /nfs/dbraw/zinc/63/89/59/814638959.db2.gz DKPHNXBUXGJXCE-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO CCCCCCCCCCCO[C@@H]1CC[NH2+][C@@H]1C(=O)OC ZINC001217889283 815990556 /nfs/dbraw/zinc/99/05/56/815990556.db2.gz MZXAUHBJVBIWBV-CVEARBPZSA-N 1 2 299.455 3.437 20 30 CGEDLO C=C(C)c1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218006783 816049823 /nfs/dbraw/zinc/04/98/23/816049823.db2.gz NGDRDSUOLYZUAS-ZDUSSCGKSA-N 1 2 253.292 3.096 20 30 CGEDLO C=CCOc1ccccc1[C@H](C)OCCn1cc[nH+]c1 ZINC001222138880 816357475 /nfs/dbraw/zinc/35/74/75/816357475.db2.gz LJRQRBVOWMTWSO-AWEZNQCLSA-N 1 2 272.348 3.226 20 30 CGEDLO CC#CC[C@H](CC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228089883 817808829 /nfs/dbraw/zinc/80/88/29/817808829.db2.gz LEWBYWHBDHXIBZ-HNNXBMFYSA-N 1 2 271.360 3.241 20 30 CGEDLO C[N@H+](Cc1cnc(Cl)s1)Cc1cc(C#N)ccc1O ZINC001232673668 818415874 /nfs/dbraw/zinc/41/58/74/818415874.db2.gz KSQPZRMEYGODOC-UHFFFAOYSA-N 1 2 293.779 3.006 20 30 CGEDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1cc(C#N)ccc1O ZINC001232673668 818415878 /nfs/dbraw/zinc/41/58/78/818415878.db2.gz KSQPZRMEYGODOC-UHFFFAOYSA-N 1 2 293.779 3.006 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC001232677753 818416398 /nfs/dbraw/zinc/41/63/98/818416398.db2.gz JJDBIUXMQFBVES-UHFFFAOYSA-N 1 2 293.370 3.038 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1O ZINC001232677490 818416648 /nfs/dbraw/zinc/41/66/48/818416648.db2.gz DWMQQZNTUMZXJL-UHFFFAOYSA-N 1 2 293.326 3.037 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1O ZINC001232677490 818416651 /nfs/dbraw/zinc/41/66/51/818416651.db2.gz DWMQQZNTUMZXJL-UHFFFAOYSA-N 1 2 293.326 3.037 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(Br)[nH]1 ZINC001232689310 818421165 /nfs/dbraw/zinc/42/11/65/818421165.db2.gz LISFUAZCVSGHJA-UHFFFAOYSA-N 1 2 284.201 3.293 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Br)[nH]1 ZINC001232689310 818421169 /nfs/dbraw/zinc/42/11/69/818421169.db2.gz LISFUAZCVSGHJA-UHFFFAOYSA-N 1 2 284.201 3.293 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c(C#N)c1 ZINC001232968931 818485589 /nfs/dbraw/zinc/48/55/89/818485589.db2.gz RYEGBJGQQDNKHI-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C)nc2)c(C#N)c1 ZINC001232968931 818485593 /nfs/dbraw/zinc/48/55/93/818485593.db2.gz RYEGBJGQQDNKHI-UHFFFAOYSA-N 1 2 265.360 3.202 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001233080384 818519263 /nfs/dbraw/zinc/51/92/63/818519263.db2.gz MMQBHJSGPOACGA-ZDUSSCGKSA-N 1 2 268.282 3.046 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001233080384 818519267 /nfs/dbraw/zinc/51/92/67/818519267.db2.gz MMQBHJSGPOACGA-ZDUSSCGKSA-N 1 2 268.282 3.046 20 30 CGEDLO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2O)CC1 ZINC001233388122 818606458 /nfs/dbraw/zinc/60/64/58/818606458.db2.gz MNEHPNJSKMEIBB-NNUKFRKNSA-N 1 2 258.365 3.274 20 30 CGEDLO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2O)CC1 ZINC001233388122 818606463 /nfs/dbraw/zinc/60/64/63/818606463.db2.gz MNEHPNJSKMEIBB-NNUKFRKNSA-N 1 2 258.365 3.274 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)c(O)c1 ZINC001233387777 818607778 /nfs/dbraw/zinc/60/77/78/818607778.db2.gz XXCIAXBBQUOGHW-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(Oc2cccnc2)cc1 ZINC001235113143 819006770 /nfs/dbraw/zinc/00/67/70/819006770.db2.gz VCDGTGXZQVPEEI-UHFFFAOYSA-N 1 2 267.332 3.219 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(Oc2cccnc2)cc1 ZINC001235113143 819006773 /nfs/dbraw/zinc/00/67/73/819006773.db2.gz VCDGTGXZQVPEEI-UHFFFAOYSA-N 1 2 267.332 3.219 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237102742 819667309 /nfs/dbraw/zinc/66/73/09/819667309.db2.gz MSXTYVBPIWFFDB-QGZVFWFLSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237102742 819667311 /nfs/dbraw/zinc/66/73/11/819667311.db2.gz MSXTYVBPIWFFDB-QGZVFWFLSA-N 1 2 287.382 3.161 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C(=O)OCC)c(C)s1)C(C)(C)C ZINC001237231696 819709147 /nfs/dbraw/zinc/70/91/47/819709147.db2.gz URAANNWKNNBVTD-UHFFFAOYSA-N 1 2 296.436 3.415 20 30 CGEDLO C=CC[N@H+](Cc1nc(C(=O)OCC)c(C)s1)C(C)(C)C ZINC001237231696 819709154 /nfs/dbraw/zinc/70/91/54/819709154.db2.gz URAANNWKNNBVTD-UHFFFAOYSA-N 1 2 296.436 3.415 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237525797 819772543 /nfs/dbraw/zinc/77/25/43/819772543.db2.gz VOBMPRBGQSKIAB-SECBINFHSA-N 1 2 286.272 3.314 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237525797 819772547 /nfs/dbraw/zinc/77/25/47/819772547.db2.gz VOBMPRBGQSKIAB-SECBINFHSA-N 1 2 286.272 3.314 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC001237944302 819889523 /nfs/dbraw/zinc/88/95/23/819889523.db2.gz CRRXWGAJSGAYRN-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC001237944302 819889533 /nfs/dbraw/zinc/88/95/33/819889533.db2.gz CRRXWGAJSGAYRN-VIFPVBQESA-N 1 2 274.311 3.007 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1ccc(OCC)c(F)c1 ZINC001237955858 819896679 /nfs/dbraw/zinc/89/66/79/819896679.db2.gz HXGPLMUNNIBCEA-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1ccc(OCC)c(F)c1 ZINC001237955858 819896683 /nfs/dbraw/zinc/89/66/83/819896683.db2.gz HXGPLMUNNIBCEA-UHFFFAOYSA-N 1 2 264.344 3.350 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cc(Cl)ccc1SC ZINC001238681701 820084827 /nfs/dbraw/zinc/08/48/27/820084827.db2.gz SIMPXPJWEUAYAD-UHFFFAOYSA-N 1 2 263.793 3.130 20 30 CGEDLO N#Cc1cc2[nH]ccc2c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218627 820891236 /nfs/dbraw/zinc/89/12/36/820891236.db2.gz GQOGSUDBTWIHDC-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO N#Cc1c(F)cc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240219915 820894283 /nfs/dbraw/zinc/89/42/83/820894283.db2.gz ZVEMAUYQPUCKJE-UHFFFAOYSA-N 1 2 255.227 3.151 20 30 CGEDLO COc1cc2[nH+]ccn2cc1-c1cc(F)cc(C#N)c1 ZINC001241658898 822034889 /nfs/dbraw/zinc/03/48/89/822034889.db2.gz ODTGVRXMENGRIC-UHFFFAOYSA-N 1 2 267.263 3.021 20 30 CGEDLO Cc1cc2[nH+]ccn2cc1C1=CC(=O)CC(C)(C)C1 ZINC001242317013 822949966 /nfs/dbraw/zinc/94/99/66/822949966.db2.gz WXDJYGVKCIVGMO-UHFFFAOYSA-N 1 2 254.333 3.415 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(O)c(C#N)c1 ZINC001242566329 823036539 /nfs/dbraw/zinc/03/65/39/823036539.db2.gz UERFEUNYPAJCQF-UHFFFAOYSA-N 1 2 291.310 3.125 20 30 CGEDLO C=CCO[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC001339864700 936388221 /nfs/dbraw/zinc/38/82/21/936388221.db2.gz FWUZIZWHFZXLCS-ZDUSSCGKSA-N 1 2 284.359 3.025 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC001342846690 936481069 /nfs/dbraw/zinc/48/10/69/936481069.db2.gz GCIWJTPAOSAPKB-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC001342846690 936481071 /nfs/dbraw/zinc/48/10/71/936481071.db2.gz GCIWJTPAOSAPKB-UHFFFAOYSA-N 1 2 288.439 3.445 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001483420874 927502354 /nfs/dbraw/zinc/50/23/54/927502354.db2.gz ONJOBCSSQLXKPH-HOCLYGCPSA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001483420874 927502364 /nfs/dbraw/zinc/50/23/64/927502364.db2.gz ONJOBCSSQLXKPH-HOCLYGCPSA-N 1 2 298.858 3.312 20 30 CGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001171208599 928201591 /nfs/dbraw/zinc/20/15/91/928201591.db2.gz DRGAKMWDHXKPGB-SMDDNHRTSA-N 1 2 282.309 3.168 20 30 CGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001171208599 928201596 /nfs/dbraw/zinc/20/15/96/928201596.db2.gz DRGAKMWDHXKPGB-SMDDNHRTSA-N 1 2 282.309 3.168 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001492888065 937242326 /nfs/dbraw/zinc/24/23/26/937242326.db2.gz RGTHXAWIPLJACN-INIZCTEOSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001492888065 937242330 /nfs/dbraw/zinc/24/23/30/937242330.db2.gz RGTHXAWIPLJACN-INIZCTEOSA-N 1 2 298.858 3.314 20 30 CGEDLO N#C[C@@H]1CC=C(Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001212862790 928652514 /nfs/dbraw/zinc/65/25/14/928652514.db2.gz SFAQRTYKCKRKCZ-OAHLLOKOSA-N 1 2 297.402 3.138 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000397602445 928803660 /nfs/dbraw/zinc/80/36/60/928803660.db2.gz NIZKZPSXHPAIPU-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000397602445 928803666 /nfs/dbraw/zinc/80/36/66/928803666.db2.gz NIZKZPSXHPAIPU-LLVKDONJSA-N 1 2 293.754 3.374 20 30 CGEDLO CCc1cc(NCc2ccc(C)c(C#N)c2)nc(CC)[nH+]1 ZINC001458599133 937469567 /nfs/dbraw/zinc/46/95/67/937469567.db2.gz WAMIUBCGDHMBOJ-UHFFFAOYSA-N 1 2 280.375 3.394 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1c(F)cccc1F ZINC001460808768 937545714 /nfs/dbraw/zinc/54/57/14/937545714.db2.gz IPQNMMQZNJRNSY-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001460844106 937549163 /nfs/dbraw/zinc/54/91/63/937549163.db2.gz PSMXBMLCTZNBRT-KRWDZBQOSA-N 1 2 298.365 3.456 20 30 CGEDLO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001460844106 937549166 /nfs/dbraw/zinc/54/91/66/937549166.db2.gz PSMXBMLCTZNBRT-KRWDZBQOSA-N 1 2 298.365 3.456 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC001461815943 937599174 /nfs/dbraw/zinc/59/91/74/937599174.db2.gz IDLFEASIWSTHRJ-UHFFFAOYSA-N 1 2 278.764 3.269 20 30 CGEDLO C#C[C@@H](Oc1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC001229954628 932509520 /nfs/dbraw/zinc/50/95/20/932509520.db2.gz RYVXATYTYKDWML-QGZVFWFLSA-N 1 2 275.311 3.021 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1(CC)CC)C(=O)OCC ZINC001462249427 937627550 /nfs/dbraw/zinc/62/75/50/937627550.db2.gz QSDDDBXBOYLUIU-KKUMJFAQSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]CCc1ccc(C(C)C)cc1)C(=O)OC ZINC001462506009 937646174 /nfs/dbraw/zinc/64/61/74/937646174.db2.gz OITVHTCYCGBMGS-QGZVFWFLSA-N 1 2 289.419 3.450 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001307680901 932984551 /nfs/dbraw/zinc/98/45/51/932984551.db2.gz LAKWQGMBAZEJHI-CYBMUJFWSA-N 1 2 285.746 3.029 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001307680901 932984559 /nfs/dbraw/zinc/98/45/59/932984559.db2.gz LAKWQGMBAZEJHI-CYBMUJFWSA-N 1 2 285.746 3.029 20 30 CGEDLO C=C(Br)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC001308254014 933081791 /nfs/dbraw/zinc/08/17/91/933081791.db2.gz OYVINGYEJRILCN-UHFFFAOYSA-N 1 2 292.180 3.075 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)C[C@H](C)c1ccc(C)cc1 ZINC001308561360 933132981 /nfs/dbraw/zinc/13/29/81/933132981.db2.gz XQDYDZSHXMJOPU-HNNXBMFYSA-N 1 2 275.392 3.150 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)C[C@H](C)c1ccc(C)cc1 ZINC001308561360 933132982 /nfs/dbraw/zinc/13/29/82/933132982.db2.gz XQDYDZSHXMJOPU-HNNXBMFYSA-N 1 2 275.392 3.150 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)nc1 ZINC001318248884 933701769 /nfs/dbraw/zinc/70/17/69/933701769.db2.gz PXBONBIANDMTOZ-UHFFFAOYSA-N 1 2 280.375 3.436 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001318363105 933714964 /nfs/dbraw/zinc/71/49/64/933714964.db2.gz KVRVBORKVZGFHN-UKRRQHHQSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001318363105 933714968 /nfs/dbraw/zinc/71/49/68/933714968.db2.gz KVRVBORKVZGFHN-UKRRQHHQSA-N 1 2 286.847 3.146 20 30 CGEDLO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC001319688977 933914160 /nfs/dbraw/zinc/91/41/60/933914160.db2.gz OIBMZTUSGRKYIG-UHFFFAOYSA-N 1 2 282.391 3.248 20 30 CGEDLO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC001319688977 933914164 /nfs/dbraw/zinc/91/41/64/933914164.db2.gz OIBMZTUSGRKYIG-UHFFFAOYSA-N 1 2 282.391 3.248 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1ccccc1F ZINC001322122004 934247321 /nfs/dbraw/zinc/24/73/21/934247321.db2.gz UYSPEFIPELSHKI-UHFFFAOYSA-N 1 2 292.398 3.072 20 30 CGEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1ccccc1F ZINC001322122004 934247326 /nfs/dbraw/zinc/24/73/26/934247326.db2.gz UYSPEFIPELSHKI-UHFFFAOYSA-N 1 2 292.398 3.072 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C1(C2CCC2)CCC1 ZINC001322210073 934258916 /nfs/dbraw/zinc/25/89/16/934258916.db2.gz MTGCACYFBOIIRJ-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C1(C2CCC2)CCC1 ZINC001322210073 934258920 /nfs/dbraw/zinc/25/89/20/934258920.db2.gz MTGCACYFBOIIRJ-ZDUSSCGKSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1C ZINC001322285841 934270660 /nfs/dbraw/zinc/27/06/60/934270660.db2.gz PTYJTQXUMPBCKR-CYBMUJFWSA-N 1 2 294.826 3.106 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1C ZINC001322285841 934270666 /nfs/dbraw/zinc/27/06/66/934270666.db2.gz PTYJTQXUMPBCKR-CYBMUJFWSA-N 1 2 294.826 3.106 20 30 CGEDLO COc1cccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)c1 ZINC001323545748 934406593 /nfs/dbraw/zinc/40/65/93/934406593.db2.gz QDZAJPLIGWZDBT-MDZDMXLPSA-N 1 2 282.343 3.052 20 30 CGEDLO CCNc1ccc(Nc2c(C#N)cccc2[N+](=O)[O-])c[nH+]1 ZINC001472905163 937788571 /nfs/dbraw/zinc/78/85/71/937788571.db2.gz LUQXLAPWLCQCNK-UHFFFAOYSA-N 1 2 283.291 3.037 20 30 CGEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC001331330350 935370094 /nfs/dbraw/zinc/37/00/94/935370094.db2.gz QIBUQJCASONOKX-CQSZACIVSA-N 1 2 295.386 3.067 20 30 CGEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC001331330350 935370100 /nfs/dbraw/zinc/37/01/00/935370100.db2.gz QIBUQJCASONOKX-CQSZACIVSA-N 1 2 295.386 3.067 20 30 CGEDLO Cc1[nH]c(/C=C2\C(=O)c3c(c(C)ccc3O)[C@@H]2C)[nH+]c1C ZINC001331949554 935425125 /nfs/dbraw/zinc/42/51/25/935425125.db2.gz VLYHBQIKLQAFKE-JBBGTMGVSA-N 1 2 282.343 3.424 20 30 CGEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H](C)CCCC)CC1 ZINC001333327763 935526013 /nfs/dbraw/zinc/52/60/13/935526013.db2.gz IXRKYWAUPLIVSP-ZDUSSCGKSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)CCCC)CC1 ZINC001333327763 935526017 /nfs/dbraw/zinc/52/60/17/935526017.db2.gz IXRKYWAUPLIVSP-ZDUSSCGKSA-N 1 2 298.858 3.314 20 30 CGEDLO C=C(C)CCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337359523 936253239 /nfs/dbraw/zinc/25/32/39/936253239.db2.gz ZQKAOBASZIEPHB-MRXNPFEDSA-N 1 2 283.375 3.097 20 30 CGEDLO C#Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC001337733448 936285156 /nfs/dbraw/zinc/28/51/56/936285156.db2.gz LMXGIUSFAXTFOC-UHFFFAOYSA-N 1 2 292.386 3.060 20 30 CGEDLO C#CCOc1ccccc1NCc1cc(C)[nH+]c(C)c1 ZINC001474117671 937841072 /nfs/dbraw/zinc/84/10/72/937841072.db2.gz SSRAUKNRMKJIPA-UHFFFAOYSA-N 1 2 266.344 3.323 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001494827863 937956731 /nfs/dbraw/zinc/95/67/31/937956731.db2.gz PCGZWEDVCAAOPG-CYBMUJFWSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001494827863 937956732 /nfs/dbraw/zinc/95/67/32/937956732.db2.gz PCGZWEDVCAAOPG-CYBMUJFWSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001499753490 937974535 /nfs/dbraw/zinc/97/45/35/937974535.db2.gz IPGDNEDIKGRCHW-HNNXBMFYSA-N 1 2 292.467 3.312 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001559580842 938230178 /nfs/dbraw/zinc/23/01/78/938230178.db2.gz RDGWWBRWAHVTHR-KBPBESRZSA-N 1 2 293.411 3.047 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1noc(C(C)C)n1 ZINC001559580842 938230179 /nfs/dbraw/zinc/23/01/79/938230179.db2.gz RDGWWBRWAHVTHR-KBPBESRZSA-N 1 2 293.411 3.047 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC001559808026 938236290 /nfs/dbraw/zinc/23/62/90/938236290.db2.gz YWHVNAIXJAOFHY-KRWDZBQOSA-N 1 2 287.403 3.286 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC001559808026 938236291 /nfs/dbraw/zinc/23/62/91/938236291.db2.gz YWHVNAIXJAOFHY-KRWDZBQOSA-N 1 2 287.403 3.286 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1OC ZINC001560208699 938247417 /nfs/dbraw/zinc/24/74/17/938247417.db2.gz DYRUAQMIUJHXIJ-CQSZACIVSA-N 1 2 263.768 3.336 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001560208699 938247418 /nfs/dbraw/zinc/24/74/18/938247418.db2.gz DYRUAQMIUJHXIJ-CQSZACIVSA-N 1 2 263.768 3.336 20 30 CGEDLO CCCCCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC001562518164 938299500 /nfs/dbraw/zinc/29/95/00/938299500.db2.gz CHBSMCYTURACBE-UHFFFAOYSA-N 1 2 263.385 3.212 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001566915795 957897045 /nfs/dbraw/zinc/89/70/45/957897045.db2.gz VCWCKFSQVYZWIO-WEKMIXOTSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001566915795 957897053 /nfs/dbraw/zinc/89/70/53/957897053.db2.gz VCWCKFSQVYZWIO-WEKMIXOTSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001566628234 960971535 /nfs/dbraw/zinc/97/15/35/960971535.db2.gz USZVIWALLLCDSV-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001566628234 960971549 /nfs/dbraw/zinc/97/15/49/960971549.db2.gz USZVIWALLLCDSV-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001566918176 961065653 /nfs/dbraw/zinc/06/56/53/961065653.db2.gz LQROKUTWNLKDAE-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001566918176 961065674 /nfs/dbraw/zinc/06/56/74/961065674.db2.gz LQROKUTWNLKDAE-JSGCOSHPSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)C1=CCCCCC1)C1CC1 ZINC001567439906 961331568 /nfs/dbraw/zinc/33/15/68/961331568.db2.gz KVGWDCZSTZUPKS-UHFFFAOYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)C1=CCCCCC1)C1CC1 ZINC001567439906 961331587 /nfs/dbraw/zinc/33/15/87/961331587.db2.gz KVGWDCZSTZUPKS-UHFFFAOYSA-N 1 2 296.842 3.210 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001567767083 961428230 /nfs/dbraw/zinc/42/82/30/961428230.db2.gz GMOPXEWLIGQTBG-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001567767083 961428235 /nfs/dbraw/zinc/42/82/35/961428235.db2.gz GMOPXEWLIGQTBG-CQSZACIVSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001570891918 962111321 /nfs/dbraw/zinc/11/13/21/962111321.db2.gz ZPKHNSABWTWICI-MEJMFZKBSA-N 1 2 298.858 3.168 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001570891918 962111330 /nfs/dbraw/zinc/11/13/30/962111330.db2.gz ZPKHNSABWTWICI-MEJMFZKBSA-N 1 2 298.858 3.168 20 30 CGEDLO C=CC[N@@H+](CCC#N)CCOc1cc(C)cc(C)c1 ZINC000590002904 346820941 /nfs/dbraw/zinc/82/09/41/346820941.db2.gz AYMXMXZGPQRDLT-UHFFFAOYSA-N 1 2 258.365 3.084 20 30 CGEDLO C=CC[N@H+](CCC#N)CCOc1cc(C)cc(C)c1 ZINC000590002904 346820944 /nfs/dbraw/zinc/82/09/44/346820944.db2.gz AYMXMXZGPQRDLT-UHFFFAOYSA-N 1 2 258.365 3.084 20 30 CGEDLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1cccc(C#N)c1 ZINC000591148452 346904548 /nfs/dbraw/zinc/90/45/48/346904548.db2.gz ZGAGCCYSIXMRGK-NSHDSACASA-N 1 2 279.347 3.096 20 30 CGEDLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1cccc(C#N)c1 ZINC000591148452 346904552 /nfs/dbraw/zinc/90/45/52/346904552.db2.gz ZGAGCCYSIXMRGK-NSHDSACASA-N 1 2 279.347 3.096 20 30 CGEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147659 346967012 /nfs/dbraw/zinc/96/70/12/346967012.db2.gz REBKSBWUNTUROS-HZMBPMFUSA-N 1 2 299.201 3.405 20 30 CGEDLO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147659 346967013 /nfs/dbraw/zinc/96/70/13/346967013.db2.gz REBKSBWUNTUROS-HZMBPMFUSA-N 1 2 299.201 3.405 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1 ZINC000593020920 347028434 /nfs/dbraw/zinc/02/84/34/347028434.db2.gz HYBXKZVYTKZEGK-GOSISDBHSA-N 1 2 294.402 3.354 20 30 CGEDLO N#CCC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593112071 347040505 /nfs/dbraw/zinc/04/05/05/347040505.db2.gz OJJBXJPTJIEFCD-UHFFFAOYSA-N 1 2 254.255 3.198 20 30 CGEDLO C[N@H+](Cc1ccon1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356107799 530013652 /nfs/dbraw/zinc/01/36/52/530013652.db2.gz HJKMKUONBHIGAL-UHFFFAOYSA-N 1 2 295.264 3.197 20 30 CGEDLO C[N@@H+](Cc1ccon1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356107799 530013653 /nfs/dbraw/zinc/01/36/53/530013653.db2.gz HJKMKUONBHIGAL-UHFFFAOYSA-N 1 2 295.264 3.197 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000051766471 345093432 /nfs/dbraw/zinc/09/34/32/345093432.db2.gz QEQFRVWPCKQTBC-HNNXBMFYSA-N 1 2 284.403 3.028 20 30 CGEDLO CCN(CCC#N)Cc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000081039131 345696938 /nfs/dbraw/zinc/69/69/38/345696938.db2.gz ASCXXJSIUWXTPZ-UHFFFAOYSA-N 1 2 298.434 3.158 20 30 CGEDLO CCN(CCC#N)Cc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000081039131 345696940 /nfs/dbraw/zinc/69/69/40/345696940.db2.gz ASCXXJSIUWXTPZ-UHFFFAOYSA-N 1 2 298.434 3.158 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000081040311 345697455 /nfs/dbraw/zinc/69/74/55/345697455.db2.gz ISQVAAWBPRNLBL-UHFFFAOYSA-N 1 2 299.418 3.048 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000081040311 345697457 /nfs/dbraw/zinc/69/74/57/345697457.db2.gz ISQVAAWBPRNLBL-UHFFFAOYSA-N 1 2 299.418 3.048 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000081055789 345698222 /nfs/dbraw/zinc/69/82/22/345698222.db2.gz YALZSPMHXUWVHB-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000081055789 345698226 /nfs/dbraw/zinc/69/82/26/345698226.db2.gz YALZSPMHXUWVHB-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO Cc1ccc(CC[N@H+](CCC#N)Cc2cccnc2)cc1 ZINC000085826792 345748381 /nfs/dbraw/zinc/74/83/81/345748381.db2.gz LHIHWTPSBHLZMS-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO Cc1ccc(CC[N@@H+](CCC#N)Cc2cccnc2)cc1 ZINC000085826792 345748386 /nfs/dbraw/zinc/74/83/86/345748386.db2.gz LHIHWTPSBHLZMS-UHFFFAOYSA-N 1 2 279.387 3.348 20 30 CGEDLO N#Cc1ccc(CNc2ccc([NH+]3CCCC3)cc2)o1 ZINC000157436650 232232748 /nfs/dbraw/zinc/23/27/48/232232748.db2.gz UFQYPFXQVSYTNY-UHFFFAOYSA-N 1 2 267.332 3.364 20 30 CGEDLO CC[N@@H+](Cc1cc2ccccc2nc1OC)C[C@@H](C)C#N ZINC000091982915 345827350 /nfs/dbraw/zinc/82/73/50/345827350.db2.gz VONXBFINYIDXPB-ZDUSSCGKSA-N 1 2 283.375 3.225 20 30 CGEDLO CC[N@H+](Cc1cc2ccccc2nc1OC)C[C@@H](C)C#N ZINC000091982915 345827352 /nfs/dbraw/zinc/82/73/52/345827352.db2.gz VONXBFINYIDXPB-ZDUSSCGKSA-N 1 2 283.375 3.225 20 30 CGEDLO C=CC[C@@H]1CC[C@@H](Nc2cc(CSCCO)cc[nH+]2)C1 ZINC000593611250 347094831 /nfs/dbraw/zinc/09/48/31/347094831.db2.gz MGLONYPGFWFDCE-UKRRQHHQSA-N 1 2 292.448 3.464 20 30 CGEDLO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000315041949 346482720 /nfs/dbraw/zinc/48/27/20/346482720.db2.gz WWGDPLAVDNQSLH-UHFFFAOYSA-N 1 2 299.349 3.169 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000403784608 346597674 /nfs/dbraw/zinc/59/76/74/346597674.db2.gz BHXSORPLLBTRGM-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000403784608 346597675 /nfs/dbraw/zinc/59/76/75/346597675.db2.gz BHXSORPLLBTRGM-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000404024066 346598916 /nfs/dbraw/zinc/59/89/16/346598916.db2.gz DSAGZEIXPODOIR-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000404024066 346598918 /nfs/dbraw/zinc/59/89/18/346598918.db2.gz DSAGZEIXPODOIR-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000588312967 346759907 /nfs/dbraw/zinc/75/99/07/346759907.db2.gz PPHMQXMFLKOMSV-SSDOTTSWSA-N 1 2 278.224 3.375 20 30 CGEDLO Cc1cc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc(C)c1O ZINC000593695489 347104681 /nfs/dbraw/zinc/10/46/81/347104681.db2.gz ASXDCSYOALGFRD-UHFFFAOYSA-N 1 2 278.355 3.397 20 30 CGEDLO Cc1cc(C[N@H+]2Cc3cccc(C#N)c3C2)cc(C)c1O ZINC000593695489 347104683 /nfs/dbraw/zinc/10/46/83/347104683.db2.gz ASXDCSYOALGFRD-UHFFFAOYSA-N 1 2 278.355 3.397 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000593698153 347105473 /nfs/dbraw/zinc/10/54/73/347105473.db2.gz PQIVFIHRIQMTNW-CYBMUJFWSA-N 1 2 294.420 3.172 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000593698153 347105477 /nfs/dbraw/zinc/10/54/77/347105477.db2.gz PQIVFIHRIQMTNW-CYBMUJFWSA-N 1 2 294.420 3.172 20 30 CGEDLO N#Cc1csc(C[NH+]2CCC(C3CCCC3)CC2)n1 ZINC000589502917 346798888 /nfs/dbraw/zinc/79/88/88/346798888.db2.gz HIOVWCZTZZDVGK-UHFFFAOYSA-N 1 2 275.421 3.417 20 30 CGEDLO N#CCC[N@H+](CCc1noc2ccccc21)Cc1ccco1 ZINC000593960063 347123923 /nfs/dbraw/zinc/12/39/23/347123923.db2.gz KVPIPHPHWHJKLP-UHFFFAOYSA-N 1 2 295.342 3.379 20 30 CGEDLO N#CCC[N@@H+](CCc1noc2ccccc21)Cc1ccco1 ZINC000593960063 347123926 /nfs/dbraw/zinc/12/39/26/347123926.db2.gz KVPIPHPHWHJKLP-UHFFFAOYSA-N 1 2 295.342 3.379 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)o2)CCCCC1 ZINC000594993270 347251397 /nfs/dbraw/zinc/25/13/97/347251397.db2.gz DBIPUIGSHXXHQE-UHFFFAOYSA-N 1 2 252.745 3.497 20 30 CGEDLO N#CC1(c2ccc(C[NH2+]C3(C(F)F)CC3)cc2)CC1 ZINC000594936899 347235395 /nfs/dbraw/zinc/23/53/95/347235395.db2.gz MOBORWGKJCYHME-UHFFFAOYSA-N 1 2 262.303 3.129 20 30 CGEDLO C[C@@H]1CCN([C@H](C#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000595392650 347298719 /nfs/dbraw/zinc/29/87/19/347298719.db2.gz OOZDOQIQKQOYCP-OIISXLGYSA-N 1 2 280.375 3.031 20 30 CGEDLO CC[N@H+](CC#Cc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595606359 347325410 /nfs/dbraw/zinc/32/54/10/347325410.db2.gz OIKAFYQNBZHKMK-HNNXBMFYSA-N 1 2 287.403 3.090 20 30 CGEDLO CC[N@@H+](CC#Cc1ccccc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595606359 347325413 /nfs/dbraw/zinc/32/54/13/347325413.db2.gz OIKAFYQNBZHKMK-HNNXBMFYSA-N 1 2 287.403 3.090 20 30 CGEDLO CCCCc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)no1 ZINC000595635883 347331032 /nfs/dbraw/zinc/33/10/32/347331032.db2.gz OBYGMCDORXCRNK-UHFFFAOYSA-N 1 2 298.390 3.309 20 30 CGEDLO C[C@H](C#N)[N@@H+](CC[C@@H](C)OCc1ccccc1)C1CC1 ZINC000595709904 347344294 /nfs/dbraw/zinc/34/42/94/347344294.db2.gz KAOXNYBHDAXKRZ-HUUCEWRRSA-N 1 2 272.392 3.358 20 30 CGEDLO C[C@H](C#N)[N@H+](CC[C@@H](C)OCc1ccccc1)C1CC1 ZINC000595709904 347344297 /nfs/dbraw/zinc/34/42/97/347344297.db2.gz KAOXNYBHDAXKRZ-HUUCEWRRSA-N 1 2 272.392 3.358 20 30 CGEDLO CO[C@@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)C1CCCC1 ZINC000595467006 347307705 /nfs/dbraw/zinc/30/77/05/347307705.db2.gz VGHCYKKSZGHPBH-LSDHHAIUSA-N 1 2 264.413 3.206 20 30 CGEDLO CO[C@@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)C1CCCC1 ZINC000595467006 347307708 /nfs/dbraw/zinc/30/77/08/347307708.db2.gz VGHCYKKSZGHPBH-LSDHHAIUSA-N 1 2 264.413 3.206 20 30 CGEDLO Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)c[nH+]1 ZINC000596262190 347406894 /nfs/dbraw/zinc/40/68/94/347406894.db2.gz OBHKFRLQLOFUSN-UHFFFAOYSA-N 1 2 296.330 3.399 20 30 CGEDLO COc1ccc(Cl)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842919 347366137 /nfs/dbraw/zinc/36/61/37/347366137.db2.gz IETCJIKFDCLLAO-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO COc1ccc(Cl)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842919 347366141 /nfs/dbraw/zinc/36/61/41/347366141.db2.gz IETCJIKFDCLLAO-CQSZACIVSA-N 1 2 264.756 3.084 20 30 CGEDLO CC1(C)Cc2cccc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2O1 ZINC000595844043 347366326 /nfs/dbraw/zinc/36/63/26/347366326.db2.gz PHZPUQPPVYIVFN-KRWDZBQOSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)Cc2cccc(C[N@H+]3CC[C@@](C)(C#N)C3)c2O1 ZINC000595844043 347366328 /nfs/dbraw/zinc/36/63/28/347366328.db2.gz PHZPUQPPVYIVFN-KRWDZBQOSA-N 1 2 270.376 3.136 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595887729 347370718 /nfs/dbraw/zinc/37/07/18/347370718.db2.gz BMOUNLHDOAOBJO-BXUZGUMPSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595887729 347370721 /nfs/dbraw/zinc/37/07/21/347370721.db2.gz BMOUNLHDOAOBJO-BXUZGUMPSA-N 1 2 298.308 3.100 20 30 CGEDLO Cc1cc[nH+]cc1Cc1noc(C2(C#N)CCCCC2)n1 ZINC000596617565 347490597 /nfs/dbraw/zinc/49/05/97/347490597.db2.gz UKIOUDWUXDMYJE-UHFFFAOYSA-N 1 2 282.347 3.089 20 30 CGEDLO Cc1cc(N2CCC[C@H]([C@@H]3CCCCO3)C2)c(C#N)c[nH+]1 ZINC000596497719 347468609 /nfs/dbraw/zinc/46/86/09/347468609.db2.gz CDRJEFIXWXJVDW-YOEHRIQHSA-N 1 2 285.391 3.047 20 30 CGEDLO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)c1[nH+]ccn1C ZINC000596542162 347477143 /nfs/dbraw/zinc/47/71/43/347477143.db2.gz JHLCVCIMJFBOEG-NSHDSACASA-N 1 2 283.379 3.157 20 30 CGEDLO CC[N@@H+](Cc1cc2ccc(C)cc2[nH]1)C[C@@H](C)C#N ZINC000596992016 347525722 /nfs/dbraw/zinc/52/57/22/347525722.db2.gz PKXRYKZRXHEHJG-ZDUSSCGKSA-N 1 2 255.365 3.458 20 30 CGEDLO CC[N@H+](Cc1cc2ccc(C)cc2[nH]1)C[C@@H](C)C#N ZINC000596992016 347525726 /nfs/dbraw/zinc/52/57/26/347525726.db2.gz PKXRYKZRXHEHJG-ZDUSSCGKSA-N 1 2 255.365 3.458 20 30 CGEDLO CC[N@@H+](Cc1cc2c(cccc2C)[nH]1)C[C@H](C)C#N ZINC000596991672 347525958 /nfs/dbraw/zinc/52/59/58/347525958.db2.gz NLCVBQUZMSNGTF-GFCCVEGCSA-N 1 2 255.365 3.458 20 30 CGEDLO CC[N@H+](Cc1cc2c(cccc2C)[nH]1)C[C@H](C)C#N ZINC000596991672 347525961 /nfs/dbraw/zinc/52/59/61/347525961.db2.gz NLCVBQUZMSNGTF-GFCCVEGCSA-N 1 2 255.365 3.458 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000597176944 347545411 /nfs/dbraw/zinc/54/54/11/347545411.db2.gz JUMKNLLPXJZNTC-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000597176944 347545412 /nfs/dbraw/zinc/54/54/12/347545412.db2.gz JUMKNLLPXJZNTC-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc2c(cccc2C)[nH]1 ZINC000597130581 347538295 /nfs/dbraw/zinc/53/82/95/347538295.db2.gz TUAZBBVEROIQAU-UHFFFAOYSA-N 1 2 253.349 3.378 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc2c(cccc2C)[nH]1 ZINC000597130581 347538298 /nfs/dbraw/zinc/53/82/98/347538298.db2.gz TUAZBBVEROIQAU-UHFFFAOYSA-N 1 2 253.349 3.378 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H](C(F)F)C2CCCCC2)nc1 ZINC000598649311 347675798 /nfs/dbraw/zinc/67/57/98/347675798.db2.gz LTUPPXDNVQTFAX-CQSZACIVSA-N 1 2 279.334 3.257 20 30 CGEDLO C=C(C)COCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599058368 347712086 /nfs/dbraw/zinc/71/20/86/347712086.db2.gz TWBSFTYMJOLUFS-UHFFFAOYSA-N 1 2 287.319 3.148 20 30 CGEDLO CCC(F)(F)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000599069113 347713961 /nfs/dbraw/zinc/71/39/61/347713961.db2.gz VAYNBCRRWDRMGH-CYBMUJFWSA-N 1 2 250.292 3.180 20 30 CGEDLO C[C@@]1(C[N@H+](CCC#N)Cc2ccco2)CCCS1 ZINC000600107003 347779369 /nfs/dbraw/zinc/77/93/69/347779369.db2.gz QFUBXBXDGGHVJC-AWEZNQCLSA-N 1 2 264.394 3.281 20 30 CGEDLO C[C@@]1(C[N@@H+](CCC#N)Cc2ccco2)CCCS1 ZINC000600107003 347779373 /nfs/dbraw/zinc/77/93/73/347779373.db2.gz QFUBXBXDGGHVJC-AWEZNQCLSA-N 1 2 264.394 3.281 20 30 CGEDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000599478218 347747535 /nfs/dbraw/zinc/74/75/35/347747535.db2.gz LHEBPFYKZBWECI-BLLLJJGKSA-N 1 2 294.345 3.111 20 30 CGEDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1C#N ZINC000599478218 347747537 /nfs/dbraw/zinc/74/75/37/347747537.db2.gz LHEBPFYKZBWECI-BLLLJJGKSA-N 1 2 294.345 3.111 20 30 CGEDLO N#Cc1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000600773760 347832876 /nfs/dbraw/zinc/83/28/76/347832876.db2.gz COKNFTFQPGCXHA-UHFFFAOYSA-N 1 2 281.384 3.173 20 30 CGEDLO N#Cc1cccc(-c2ccc(N3CCSCC3)[nH+]c2)c1 ZINC000600774950 347833308 /nfs/dbraw/zinc/83/33/08/347833308.db2.gz GWFYWZFWJAKGBJ-UHFFFAOYSA-N 1 2 281.384 3.173 20 30 CGEDLO N#Cc1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1Cl ZINC000600774096 347833326 /nfs/dbraw/zinc/83/33/26/347833326.db2.gz BSNKOLZTLIIZQM-UHFFFAOYSA-N 1 2 299.761 3.110 20 30 CGEDLO CC(C)(C)c1ccc(C#N)c(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000601197510 347879447 /nfs/dbraw/zinc/87/94/47/347879447.db2.gz CANPLUNEGKNSGN-UHFFFAOYSA-N 1 2 297.406 3.294 20 30 CGEDLO CCC(C#N)(CC)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601654093 347902778 /nfs/dbraw/zinc/90/27/78/347902778.db2.gz NPSQRIJSWNREHG-UHFFFAOYSA-N 1 2 296.374 3.023 20 30 CGEDLO Cc1ncc([C@@H](C)[N@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000602466600 347962918 /nfs/dbraw/zinc/96/29/18/347962918.db2.gz YDWDTPWXDQEXQP-CYBMUJFWSA-N 1 2 274.412 3.416 20 30 CGEDLO Cc1ncc([C@@H](C)[N@@H+](CCC#N)CC(C)(C)C)c(C)n1 ZINC000602466600 347962920 /nfs/dbraw/zinc/96/29/20/347962920.db2.gz YDWDTPWXDQEXQP-CYBMUJFWSA-N 1 2 274.412 3.416 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cccc(Br)c1Cl ZINC000602608226 347992910 /nfs/dbraw/zinc/99/29/10/347992910.db2.gz RMIRHDCZJRCQHV-MRVPVSSYSA-N 1 2 287.588 3.352 20 30 CGEDLO Cc1cc(C#N)cc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000602687472 348009996 /nfs/dbraw/zinc/00/99/96/348009996.db2.gz XARJIIJOQGETIC-OAHLLOKOSA-N 1 2 266.348 3.163 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602717853 348016564 /nfs/dbraw/zinc/01/65/64/348016564.db2.gz IYTMGHDGFDXPOM-INIZCTEOSA-N 1 2 287.313 3.249 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602717853 348016565 /nfs/dbraw/zinc/01/65/65/348016565.db2.gz IYTMGHDGFDXPOM-INIZCTEOSA-N 1 2 287.313 3.249 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]Cc1cc(C)c2ncccc2c1)C(=O)OC ZINC000602732375 348020967 /nfs/dbraw/zinc/02/09/67/348020967.db2.gz BGLYRNSOSOEZJQ-MRXNPFEDSA-N 1 2 298.386 3.141 20 30 CGEDLO N#CCC1(CN2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000602762114 348024325 /nfs/dbraw/zinc/02/43/25/348024325.db2.gz IHIGNKPYEIISCB-DAXSKMNVSA-N 1 2 295.430 3.011 20 30 CGEDLO C[C@@H]([NH2+]CC1(CC#N)CC1)c1nc(C2CCCCC2)no1 ZINC000602807018 348032401 /nfs/dbraw/zinc/03/24/01/348032401.db2.gz HBTSQXTVHWBISX-GFCCVEGCSA-N 1 2 288.395 3.462 20 30 CGEDLO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602864179 348038398 /nfs/dbraw/zinc/03/83/98/348038398.db2.gz QGGWPVMOMJOXKC-STQMWFEESA-N 1 2 273.380 3.029 20 30 CGEDLO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602974905 348048459 /nfs/dbraw/zinc/04/84/59/348048459.db2.gz VSRSJLXXQVXLQY-BXUZGUMPSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602974905 348048462 /nfs/dbraw/zinc/04/84/62/348048462.db2.gz VSRSJLXXQVXLQY-BXUZGUMPSA-N 1 2 250.292 3.089 20 30 CGEDLO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1Cl ZINC000602981946 348051072 /nfs/dbraw/zinc/05/10/72/348051072.db2.gz LRAOVSGIZGWEPZ-WCQYABFASA-N 1 2 278.783 3.473 20 30 CGEDLO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1Cl ZINC000602981946 348051074 /nfs/dbraw/zinc/05/10/74/348051074.db2.gz LRAOVSGIZGWEPZ-WCQYABFASA-N 1 2 278.783 3.473 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(C)[nH+]1 ZINC000603017680 348054723 /nfs/dbraw/zinc/05/47/23/348054723.db2.gz WTGSKZOHJDLJKX-KGLIPLIRSA-N 1 2 286.379 3.163 20 30 CGEDLO CCC[C@@H](C#N)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000609576996 348348073 /nfs/dbraw/zinc/34/80/73/348348073.db2.gz YXUUYOLEVHMZQG-AWEZNQCLSA-N 1 2 295.342 3.296 20 30 CGEDLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1cccc(C#N)c1 ZINC000610345242 348376963 /nfs/dbraw/zinc/37/69/63/348376963.db2.gz YUVVLVNCTZZXBN-GFCCVEGCSA-N 1 2 276.343 3.285 20 30 CGEDLO CC[C@H](C)Oc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC ZINC000611260895 348432078 /nfs/dbraw/zinc/43/20/78/348432078.db2.gz YRFYIEVVNREUQK-KGLIPLIRSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[C@H](C)Oc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC ZINC000611260895 348432079 /nfs/dbraw/zinc/43/20/79/348432079.db2.gz YRFYIEVVNREUQK-KGLIPLIRSA-N 1 2 290.407 3.464 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000612406343 348517370 /nfs/dbraw/zinc/51/73/70/348517370.db2.gz KHUCZKVEDFYUGH-RRGWEWPQSA-N 1 2 285.347 3.234 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000612406343 348517373 /nfs/dbraw/zinc/51/73/73/348517373.db2.gz KHUCZKVEDFYUGH-RRGWEWPQSA-N 1 2 285.347 3.234 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406846 348517642 /nfs/dbraw/zinc/51/76/42/348517642.db2.gz VMGYRMJWSFZZSW-OAHLLOKOSA-N 1 2 277.437 3.467 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406846 348517643 /nfs/dbraw/zinc/51/76/43/348517643.db2.gz VMGYRMJWSFZZSW-OAHLLOKOSA-N 1 2 277.437 3.467 20 30 CGEDLO CCN(CC)c1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406494 348517677 /nfs/dbraw/zinc/51/76/77/348517677.db2.gz NPBSXQQSQKLKOI-OAHLLOKOSA-N 1 2 292.452 3.115 20 30 CGEDLO CCN(CC)c1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)s1 ZINC000612406494 348517678 /nfs/dbraw/zinc/51/76/78/348517678.db2.gz NPBSXQQSQKLKOI-OAHLLOKOSA-N 1 2 292.452 3.115 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc3cnccc32)c1 ZINC000613443236 348604291 /nfs/dbraw/zinc/60/42/91/348604291.db2.gz JOIYSOFAKUUNSP-UHFFFAOYSA-N 1 2 274.327 3.308 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000614916184 348700537 /nfs/dbraw/zinc/70/05/37/348700537.db2.gz WDMROOOHERXYSP-ZJUUUORDSA-N 1 2 278.306 3.384 20 30 CGEDLO COC[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1 ZINC000339506866 215218087 /nfs/dbraw/zinc/21/80/87/215218087.db2.gz OFEKMUVYMXLEIP-KRWDZBQOSA-N 1 2 284.334 3.175 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC000339568600 215248408 /nfs/dbraw/zinc/24/84/08/215248408.db2.gz JUCSZGRIQXKCQQ-UWVGGRQHSA-N 1 2 279.181 3.161 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC000339568600 215248411 /nfs/dbraw/zinc/24/84/11/215248411.db2.gz JUCSZGRIQXKCQQ-UWVGGRQHSA-N 1 2 279.181 3.161 20 30 CGEDLO Cc1cccn2cc(CN3CCCC(C)(C)[C@H]3C#N)[nH+]c12 ZINC000618316833 349068943 /nfs/dbraw/zinc/06/89/43/349068943.db2.gz GDVDODDVLGACGP-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO COc1cc(C#N)ccc1OCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000358862000 233206030 /nfs/dbraw/zinc/20/60/30/233206030.db2.gz OBCBIFLPESSELF-UHFFFAOYSA-N 1 2 293.326 3.331 20 30 CGEDLO COc1cc(C#N)ccc1OCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000358862000 233206032 /nfs/dbraw/zinc/20/60/32/233206032.db2.gz OBCBIFLPESSELF-UHFFFAOYSA-N 1 2 293.326 3.331 20 30 CGEDLO C[C@H](CCC#N)CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000618888019 349175242 /nfs/dbraw/zinc/17/52/42/349175242.db2.gz MFLLYGULWCEVQZ-GFCCVEGCSA-N 1 2 272.327 3.363 20 30 CGEDLO C[C@H](CCC#N)CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000618888177 349175456 /nfs/dbraw/zinc/17/54/56/349175456.db2.gz NWQAEVKBSLDZOP-CYBMUJFWSA-N 1 2 268.364 3.439 20 30 CGEDLO C[C@@H](CCC#N)CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000618888021 349175543 /nfs/dbraw/zinc/17/55/43/349175543.db2.gz MFLLYGULWCEVQZ-LBPRGKRZSA-N 1 2 272.327 3.363 20 30 CGEDLO C=CC(C)(C)CCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000626616987 350323845 /nfs/dbraw/zinc/32/38/45/350323845.db2.gz DKCSYZBSVLTIHM-UHFFFAOYSA-N 1 2 286.379 3.367 20 30 CGEDLO C=CC[N@@H+](Cc1nc([C@H](C)SCC)no1)C1CC1 ZINC000271356249 191093654 /nfs/dbraw/zinc/09/36/54/191093654.db2.gz DXHRXAMVILGDPD-JTQLQIEISA-N 1 2 267.398 3.034 20 30 CGEDLO C=CC[N@H+](Cc1nc([C@H](C)SCC)no1)C1CC1 ZINC000271356249 191093656 /nfs/dbraw/zinc/09/36/56/191093656.db2.gz DXHRXAMVILGDPD-JTQLQIEISA-N 1 2 267.398 3.034 20 30 CGEDLO C=CCC[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000633131862 351245329 /nfs/dbraw/zinc/24/53/29/351245329.db2.gz LJAKUWQOPKNQOC-OAHLLOKOSA-N 1 2 298.390 3.259 20 30 CGEDLO C=C(CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC000635929039 351702893 /nfs/dbraw/zinc/70/28/93/351702893.db2.gz DKKFWDFILAPTDP-QGZVFWFLSA-N 1 2 297.402 3.300 20 30 CGEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1cscn1 ZINC000271543437 191204005 /nfs/dbraw/zinc/20/40/05/191204005.db2.gz YXBGSIVZZQRVCX-GFCCVEGCSA-N 1 2 272.373 3.006 20 30 CGEDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000158789842 188395042 /nfs/dbraw/zinc/39/50/42/188395042.db2.gz BLNWOLOUJOFDII-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000158789842 188395044 /nfs/dbraw/zinc/39/50/44/188395044.db2.gz BLNWOLOUJOFDII-NSHDSACASA-N 1 2 258.296 3.483 20 30 CGEDLO N#Cc1cccc(C2([NH2+]C/C(Cl)=C/Cl)CC2)c1 ZINC000271740259 191300426 /nfs/dbraw/zinc/30/04/26/191300426.db2.gz BZBMFNWHUCMRRF-GHXNOFRVSA-N 1 2 267.159 3.456 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2ccco2)CC1 ZINC000273545922 192195448 /nfs/dbraw/zinc/19/54/48/192195448.db2.gz XYOCMAPVOMJBQL-HNNXBMFYSA-N 1 2 295.386 3.030 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000273545922 192195451 /nfs/dbraw/zinc/19/54/51/192195451.db2.gz XYOCMAPVOMJBQL-HNNXBMFYSA-N 1 2 295.386 3.030 20 30 CGEDLO N#Cc1c(C[NH+]2Cc3ccccc3C2)cn2ccccc12 ZINC000106304148 138354121 /nfs/dbraw/zinc/35/41/21/138354121.db2.gz YBUVCPYBXXFBAM-UHFFFAOYSA-N 1 2 273.339 3.327 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000124941415 138378392 /nfs/dbraw/zinc/37/83/92/138378392.db2.gz NHAGHBALOJSLSM-QGZVFWFLSA-N 1 2 298.411 3.367 20 30 CGEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000124941415 138378393 /nfs/dbraw/zinc/37/83/93/138378393.db2.gz NHAGHBALOJSLSM-QGZVFWFLSA-N 1 2 298.411 3.367 20 30 CGEDLO Cc1cc(N2CCC(OC3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000425228353 236221063 /nfs/dbraw/zinc/22/10/63/236221063.db2.gz SOFCZBUTIFTKON-UHFFFAOYSA-N 1 2 285.391 3.190 20 30 CGEDLO C=CCN(Cc1c[nH+]c[nH]1)Cc1ccc(Cl)s1 ZINC000179694782 189214077 /nfs/dbraw/zinc/21/40/77/189214077.db2.gz IXJGLTVPERQVQJ-UHFFFAOYSA-N 1 2 267.785 3.313 20 30 CGEDLO Cc1cc(NC(=O)N(CCC#N)CCC(C)C)cc[nH+]1 ZINC000119603718 370689732 /nfs/dbraw/zinc/68/97/32/370689732.db2.gz RXHZVKJQXIXHPL-UHFFFAOYSA-N 1 2 274.368 3.184 20 30 CGEDLO COCc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)no1 ZINC000459309767 242066549 /nfs/dbraw/zinc/06/65/49/242066549.db2.gz VVKBZPCJGFIFII-UHFFFAOYSA-N 1 2 299.374 3.103 20 30 CGEDLO COCc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)no1 ZINC000459309767 242066553 /nfs/dbraw/zinc/06/65/53/242066553.db2.gz VVKBZPCJGFIFII-UHFFFAOYSA-N 1 2 299.374 3.103 20 30 CGEDLO CCn1cccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000494968625 244337379 /nfs/dbraw/zinc/33/73/79/244337379.db2.gz CHZYNWIIFZMFAK-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO CCn1cccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000494968625 244337381 /nfs/dbraw/zinc/33/73/81/244337381.db2.gz CHZYNWIIFZMFAK-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000127584413 370954262 /nfs/dbraw/zinc/95/42/62/370954262.db2.gz ARXVKJVJNVFXSN-UHFFFAOYSA-N 1 2 268.364 3.121 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000127584413 370954267 /nfs/dbraw/zinc/95/42/67/370954267.db2.gz ARXVKJVJNVFXSN-UHFFFAOYSA-N 1 2 268.364 3.121 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000128485743 370964211 /nfs/dbraw/zinc/96/42/11/370964211.db2.gz PIZKTACRHSDRJB-CRRKTRLDSA-N 1 2 289.375 3.312 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000276197298 193240327 /nfs/dbraw/zinc/24/03/27/193240327.db2.gz MSZZHLCEYAORQE-MRXNPFEDSA-N 1 2 269.348 3.413 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/CCCO[C@@H]1CCOC1 ZINC000129354091 370983111 /nfs/dbraw/zinc/98/31/11/370983111.db2.gz OJTHAPFQLXDOKG-IYSPOMMRSA-N 1 2 299.370 3.160 20 30 CGEDLO C=CC[N@H+](CC(=O)NC1CCCCC1)Cc1cccs1 ZINC000060942721 369594555 /nfs/dbraw/zinc/59/45/55/369594555.db2.gz HDCSMKAQCCZMIQ-UHFFFAOYSA-N 1 2 292.448 3.185 20 30 CGEDLO C=CC[N@@H+](CC(=O)NC1CCCCC1)Cc1cccs1 ZINC000060942721 369594560 /nfs/dbraw/zinc/59/45/60/369594560.db2.gz HDCSMKAQCCZMIQ-UHFFFAOYSA-N 1 2 292.448 3.185 20 30 CGEDLO C=CC[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1cccs1 ZINC000060942738 369594660 /nfs/dbraw/zinc/59/46/60/369594660.db2.gz WIRMQWBKLNSGJU-UHFFFAOYSA-N 1 2 294.464 3.382 20 30 CGEDLO C=CC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1cccs1 ZINC000060942738 369594664 /nfs/dbraw/zinc/59/46/64/369594664.db2.gz WIRMQWBKLNSGJU-UHFFFAOYSA-N 1 2 294.464 3.382 20 30 CGEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1Br ZINC000063088293 369637794 /nfs/dbraw/zinc/63/77/94/369637794.db2.gz POXNKLUYSSZFDJ-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1Br ZINC000063088293 369637798 /nfs/dbraw/zinc/63/77/98/369637798.db2.gz POXNKLUYSSZFDJ-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO CC[N@@H+](Cc1cnc(C(C)C)s1)C[C@H](C)C#N ZINC000091982467 370083627 /nfs/dbraw/zinc/08/36/27/370083627.db2.gz CAVMMBYFBMFGRF-LLVKDONJSA-N 1 2 251.399 3.248 20 30 CGEDLO CC[N@H+](Cc1cnc(C(C)C)s1)C[C@H](C)C#N ZINC000091982467 370083630 /nfs/dbraw/zinc/08/36/30/370083630.db2.gz CAVMMBYFBMFGRF-LLVKDONJSA-N 1 2 251.399 3.248 20 30 CGEDLO CC[N@@H+](Cc1cccc2c1OC(C)(C)C2)C[C@H](C)C#N ZINC000091983016 370086410 /nfs/dbraw/zinc/08/64/10/370086410.db2.gz PGKWBQVBXKYQNE-CYBMUJFWSA-N 1 2 272.392 3.382 20 30 CGEDLO CC[N@H+](Cc1cccc2c1OC(C)(C)C2)C[C@H](C)C#N ZINC000091983016 370086417 /nfs/dbraw/zinc/08/64/17/370086417.db2.gz PGKWBQVBXKYQNE-CYBMUJFWSA-N 1 2 272.392 3.382 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(Cl)c1OC ZINC000093090684 370108007 /nfs/dbraw/zinc/10/80/07/370108007.db2.gz YVIOYKJGICJPOB-JTQLQIEISA-N 1 2 282.771 3.091 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(Cl)c1OC ZINC000093090684 370108008 /nfs/dbraw/zinc/10/80/08/370108008.db2.gz YVIOYKJGICJPOB-JTQLQIEISA-N 1 2 282.771 3.091 20 30 CGEDLO N#CCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1CC1 ZINC000093091619 370108250 /nfs/dbraw/zinc/10/82/50/370108250.db2.gz ASRJCPIAXOMCQZ-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO N#CCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1CC1 ZINC000093091619 370108253 /nfs/dbraw/zinc/10/82/53/370108253.db2.gz ASRJCPIAXOMCQZ-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000093100934 370110124 /nfs/dbraw/zinc/11/01/24/370110124.db2.gz VFUFGYLTOSKUEI-FQEVSTJZSA-N 1 2 292.448 3.186 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000093100934 370110128 /nfs/dbraw/zinc/11/01/28/370110128.db2.gz VFUFGYLTOSKUEI-FQEVSTJZSA-N 1 2 292.448 3.186 20 30 CGEDLO CC#CCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000097599475 370248367 /nfs/dbraw/zinc/24/83/67/370248367.db2.gz ZGZBYECSHPKRSW-UHFFFAOYSA-N 1 2 298.346 3.070 20 30 CGEDLO C=CCC1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCC1 ZINC000288976274 371748932 /nfs/dbraw/zinc/74/89/32/371748932.db2.gz MFTPALLQSMEKET-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000157658309 372030988 /nfs/dbraw/zinc/03/09/88/372030988.db2.gz JWINBRNQGGPUHY-DOMZBBRYSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000157658309 372030992 /nfs/dbraw/zinc/03/09/92/372030992.db2.gz JWINBRNQGGPUHY-DOMZBBRYSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000157677777 372032822 /nfs/dbraw/zinc/03/28/22/372032822.db2.gz XYASIRPGJTZDQM-CABCVRRESA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000157677777 372032825 /nfs/dbraw/zinc/03/28/25/372032825.db2.gz XYASIRPGJTZDQM-CABCVRRESA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)C[C@H](C)C#N ZINC000157750230 372036408 /nfs/dbraw/zinc/03/64/08/372036408.db2.gz FVECTCMMIOTEJT-CYBMUJFWSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H](C)C#N ZINC000157750230 372036413 /nfs/dbraw/zinc/03/64/13/372036413.db2.gz FVECTCMMIOTEJT-CYBMUJFWSA-N 1 2 260.768 3.173 20 30 CGEDLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000344209346 217100564 /nfs/dbraw/zinc/10/05/64/217100564.db2.gz IWXNSJZNBJYNGU-QMMMGPOBSA-N 1 2 263.391 3.236 20 30 CGEDLO CC1(C)C[NH+](Cc2cccc(F)c2C#N)CC(C)(C)O1 ZINC000428491438 372224100 /nfs/dbraw/zinc/22/41/00/372224100.db2.gz WBTODPNPZGOELU-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO CCCc1nc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000428305329 372184555 /nfs/dbraw/zinc/18/45/55/372184555.db2.gz KAURZMXJBJMOGY-NSHDSACASA-N 1 2 261.369 3.060 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000428305329 372184561 /nfs/dbraw/zinc/18/45/61/372184561.db2.gz KAURZMXJBJMOGY-NSHDSACASA-N 1 2 261.369 3.060 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428772373 372262560 /nfs/dbraw/zinc/26/25/60/372262560.db2.gz LZFVTULRWXULMT-WFASDCNBSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428772373 372262564 /nfs/dbraw/zinc/26/25/64/372262564.db2.gz LZFVTULRWXULMT-WFASDCNBSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428772372 372262864 /nfs/dbraw/zinc/26/28/64/372262864.db2.gz LZFVTULRWXULMT-SWLSCSKDSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428772372 372262870 /nfs/dbraw/zinc/26/28/70/372262870.db2.gz LZFVTULRWXULMT-SWLSCSKDSA-N 1 2 297.320 3.491 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)ccc1F ZINC000160732517 372270748 /nfs/dbraw/zinc/27/07/48/372270748.db2.gz MCYCNHSMTKBCCB-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)ccc1F ZINC000160732517 372270761 /nfs/dbraw/zinc/27/07/61/372270761.db2.gz MCYCNHSMTKBCCB-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC000428866193 372273453 /nfs/dbraw/zinc/27/34/53/372273453.db2.gz IOCOYXFPMSVUNV-UHFFFAOYSA-N 1 2 269.323 3.276 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC000428866193 372273458 /nfs/dbraw/zinc/27/34/58/372273458.db2.gz IOCOYXFPMSVUNV-UHFFFAOYSA-N 1 2 269.323 3.276 20 30 CGEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1CCC#N ZINC000429278416 372335890 /nfs/dbraw/zinc/33/58/90/372335890.db2.gz XXJFUPHNTOTXKY-UHFFFAOYSA-N 1 2 277.799 3.154 20 30 CGEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CCC#N ZINC000429278416 372335899 /nfs/dbraw/zinc/33/58/99/372335899.db2.gz XXJFUPHNTOTXKY-UHFFFAOYSA-N 1 2 277.799 3.154 20 30 CGEDLO C=C[C@@H]1CCCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431424035 372471149 /nfs/dbraw/zinc/47/11/49/372471149.db2.gz XNXNFLBHXAFZBE-GFCCVEGCSA-N 1 2 259.328 3.257 20 30 CGEDLO C=CCC(C)(C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000432172291 372543431 /nfs/dbraw/zinc/54/34/31/372543431.db2.gz MBJSCINBBIIKAG-UHFFFAOYSA-N 1 2 260.385 3.091 20 30 CGEDLO C=CCC(C)(C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000432172291 372543439 /nfs/dbraw/zinc/54/34/39/372543439.db2.gz MBJSCINBBIIKAG-UHFFFAOYSA-N 1 2 260.385 3.091 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000171373420 372746024 /nfs/dbraw/zinc/74/60/24/372746024.db2.gz ZRWMEZVXWBEDJA-GFCCVEGCSA-N 1 2 286.272 3.472 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000171373420 372746030 /nfs/dbraw/zinc/74/60/30/372746030.db2.gz ZRWMEZVXWBEDJA-GFCCVEGCSA-N 1 2 286.272 3.472 20 30 CGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000344704027 217281648 /nfs/dbraw/zinc/28/16/48/217281648.db2.gz NKMFNCGKWTXQSC-NSHDSACASA-N 1 2 287.388 3.012 20 30 CGEDLO C=C[C@@H](CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1)c1ccccc1 ZINC000442794239 373084154 /nfs/dbraw/zinc/08/41/54/373084154.db2.gz PTHJDCXHSYNNSW-ZFWWWQNUSA-N 1 2 283.375 3.337 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)[C@H](C)O1 ZINC000446068758 373319401 /nfs/dbraw/zinc/31/94/01/373319401.db2.gz JFRXFIITROUGIS-RDBSUJKOSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)[C@H](C)O1 ZINC000446068758 373319415 /nfs/dbraw/zinc/31/94/15/373319415.db2.gz JFRXFIITROUGIS-RDBSUJKOSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446830745 373368019 /nfs/dbraw/zinc/36/80/19/373368019.db2.gz WPFAYMGNOURHCA-GFCCVEGCSA-N 1 2 296.292 3.028 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446830745 373368026 /nfs/dbraw/zinc/36/80/26/373368026.db2.gz WPFAYMGNOURHCA-GFCCVEGCSA-N 1 2 296.292 3.028 20 30 CGEDLO CC(C)CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000447914362 373520924 /nfs/dbraw/zinc/52/09/24/373520924.db2.gz PAEGVKDQTYLFEP-HZPDHXFCSA-N 1 2 264.413 3.350 20 30 CGEDLO CC(C)CCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000447914362 373520930 /nfs/dbraw/zinc/52/09/30/373520930.db2.gz PAEGVKDQTYLFEP-HZPDHXFCSA-N 1 2 264.413 3.350 20 30 CGEDLO N#Cc1ccc(NCCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000301060244 373642531 /nfs/dbraw/zinc/64/25/31/373642531.db2.gz APYQNFBDFBIVOX-UHFFFAOYSA-N 1 2 276.343 3.479 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@H](CC)C(F)F)c1 ZINC000449360988 373684689 /nfs/dbraw/zinc/68/46/89/373684689.db2.gz KGFKLURPMKYZTO-CYBMUJFWSA-N 1 2 255.308 3.385 20 30 CGEDLO CC1CC[NH+](c2ccc(Nc3ccc(C#N)nn3)cc2)CC1 ZINC000301926910 373812823 /nfs/dbraw/zinc/81/28/23/373812823.db2.gz NBVADJJXWLUDRP-UHFFFAOYSA-N 1 2 293.374 3.328 20 30 CGEDLO CC[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H](C)C#N ZINC000179772549 373914316 /nfs/dbraw/zinc/91/43/16/373914316.db2.gz YHHMQHXNZFJNCL-NSHDSACASA-N 1 2 288.420 3.255 20 30 CGEDLO CC[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H](C)C#N ZINC000179772549 373914323 /nfs/dbraw/zinc/91/43/23/373914323.db2.gz YHHMQHXNZFJNCL-NSHDSACASA-N 1 2 288.420 3.255 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@H+](CC#N)C1CCCC1 ZINC000450421870 374116648 /nfs/dbraw/zinc/11/66/48/374116648.db2.gz FTBXXRLGHIYVJR-QGZVFWFLSA-N 1 2 272.392 3.012 20 30 CGEDLO CO[C@H](Cc1ccccc1)C[N@@H+](CC#N)C1CCCC1 ZINC000450421870 374116657 /nfs/dbraw/zinc/11/66/57/374116657.db2.gz FTBXXRLGHIYVJR-QGZVFWFLSA-N 1 2 272.392 3.012 20 30 CGEDLO Cc1cnc([C@H](C)C/[NH+]=C/c2ccccc2O)s1 ZINC000182171379 374228933 /nfs/dbraw/zinc/22/89/33/374228933.db2.gz KJUFHAVADKHDNK-KXUVPBGPSA-N 1 2 260.362 3.380 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H]2CCCCO2)c1 ZINC000182203853 374234639 /nfs/dbraw/zinc/23/46/39/374234639.db2.gz ZJKCVTASUAYQFP-RFRKOGIWSA-N 1 2 277.364 3.169 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(F)F ZINC000453254876 374373389 /nfs/dbraw/zinc/37/33/89/374373389.db2.gz YMFWSTKJMNZETP-PELKAZGASA-N 1 2 256.271 3.392 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000328944014 374396337 /nfs/dbraw/zinc/39/63/37/374396337.db2.gz LRKQNNUQAQKFGG-MGPQQGTHSA-N 1 2 287.407 3.440 20 30 CGEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000328944014 374396344 /nfs/dbraw/zinc/39/63/44/374396344.db2.gz LRKQNNUQAQKFGG-MGPQQGTHSA-N 1 2 287.407 3.440 20 30 CGEDLO Cc1cccc(C[N@H+](CCC#N)Cc2cccnc2)c1O ZINC000183476610 374417895 /nfs/dbraw/zinc/41/78/95/374417895.db2.gz FDIQENZBCXTISW-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO Cc1cccc(C[N@@H+](CCC#N)Cc2cccnc2)c1O ZINC000183476610 374417904 /nfs/dbraw/zinc/41/79/04/374417904.db2.gz FDIQENZBCXTISW-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO CC[C@@H]1CC[C@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)O1 ZINC000329748880 374427001 /nfs/dbraw/zinc/42/70/01/374427001.db2.gz FTXUSNFLQGJUBB-CHWSQXEVSA-N 1 2 273.336 3.188 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000183829922 374461061 /nfs/dbraw/zinc/46/10/61/374461061.db2.gz SCMZXESNCZBGMY-GFCCVEGCSA-N 1 2 277.799 3.189 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000334188096 206163944 /nfs/dbraw/zinc/16/39/44/206163944.db2.gz IIFFJIGRITUKDT-INIZCTEOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000334188096 206163945 /nfs/dbraw/zinc/16/39/45/206163945.db2.gz IIFFJIGRITUKDT-INIZCTEOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cc1c(Cl)cnc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1C#N ZINC000333667088 374614233 /nfs/dbraw/zinc/61/42/33/374614233.db2.gz IBSOPRUHYPIBDZ-UFBFGSQYSA-N 1 2 287.754 3.230 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000334454381 374763631 /nfs/dbraw/zinc/76/36/31/374763631.db2.gz MYAPBHHVNDQCOG-MSOLQXFVSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000334454381 374763640 /nfs/dbraw/zinc/76/36/40/374763640.db2.gz MYAPBHHVNDQCOG-MSOLQXFVSA-N 1 2 296.345 3.005 20 30 CGEDLO Cc1ccc(NC(=O)c2ccc(CC#N)cc2)c(C)[nH+]1 ZINC000334415404 374730606 /nfs/dbraw/zinc/73/06/06/374730606.db2.gz PNYFDTCZFMRTMM-UHFFFAOYSA-N 1 2 265.316 3.017 20 30 CGEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OC)c1ccccc1C ZINC000466836361 374970490 /nfs/dbraw/zinc/97/04/90/374970490.db2.gz RIBQLWNOFCSYNB-OAHLLOKOSA-N 1 2 261.365 3.107 20 30 CGEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OC)c1ccccc1C ZINC000466836361 374970494 /nfs/dbraw/zinc/97/04/94/374970494.db2.gz RIBQLWNOFCSYNB-OAHLLOKOSA-N 1 2 261.365 3.107 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ccc(C)cc1Br ZINC000483432141 375181546 /nfs/dbraw/zinc/18/15/46/375181546.db2.gz NUNDLQSZWKPOBO-UHFFFAOYSA-N 1 2 298.224 3.392 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ccc(C)cc1Br ZINC000483432141 375181552 /nfs/dbraw/zinc/18/15/52/375181552.db2.gz NUNDLQSZWKPOBO-UHFFFAOYSA-N 1 2 298.224 3.392 20 30 CGEDLO N#Cc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000335694065 375353092 /nfs/dbraw/zinc/35/30/92/375353092.db2.gz FZVNXHGMRJTNPV-HNNXBMFYSA-N 1 2 284.338 3.148 20 30 CGEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2F)CC(C)(C)O1 ZINC000189648676 375429102 /nfs/dbraw/zinc/42/91/02/375429102.db2.gz APMQIBBNCAQWTM-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000335911572 375534817 /nfs/dbraw/zinc/53/48/17/375534817.db2.gz NTCHXDYZUPRYSP-LBPRGKRZSA-N 1 2 279.343 3.312 20 30 CGEDLO N#C[C@H]1C[N@H+](CC2CCCCC2)CCN1Cc1ccccc1 ZINC000505422919 375658327 /nfs/dbraw/zinc/65/83/27/375658327.db2.gz RSQSIFAJUHAZMS-IBGZPJMESA-N 1 2 297.446 3.277 20 30 CGEDLO N#C[C@H]1C[N@@H+](CC2CCCCC2)CCN1Cc1ccccc1 ZINC000505422919 375658331 /nfs/dbraw/zinc/65/83/31/375658331.db2.gz RSQSIFAJUHAZMS-IBGZPJMESA-N 1 2 297.446 3.277 20 30 CGEDLO C=C(C)C[N@@H+]([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000532714375 375952229 /nfs/dbraw/zinc/95/22/29/375952229.db2.gz IQAUZFXMTSBQFV-QGZVFWFLSA-N 1 2 287.403 3.201 20 30 CGEDLO C=C(C)C[N@H+]([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000532714375 375952238 /nfs/dbraw/zinc/95/22/38/375952238.db2.gz IQAUZFXMTSBQFV-QGZVFWFLSA-N 1 2 287.403 3.201 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000338293101 376320895 /nfs/dbraw/zinc/32/08/95/376320895.db2.gz VKYWOJFXYBTSAK-IUCAKERBSA-N 1 2 290.367 3.269 20 30 CGEDLO C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccc(C#N)cc1 ZINC000338374537 376354788 /nfs/dbraw/zinc/35/47/88/376354788.db2.gz UPXFRJDSIHRPGE-NSHDSACASA-N 1 2 294.314 3.052 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000264489785 190113749 /nfs/dbraw/zinc/11/37/49/190113749.db2.gz SEMQRSVNBGSZBF-HNNXBMFYSA-N 1 2 272.392 3.282 20 30 CGEDLO C=CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000152456639 542107746 /nfs/dbraw/zinc/10/77/46/542107746.db2.gz ADMUKWOWYDWQOK-RISCZKNCSA-N 1 2 296.208 3.397 20 30 CGEDLO C=CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000152456639 542107750 /nfs/dbraw/zinc/10/77/50/542107750.db2.gz ADMUKWOWYDWQOK-RISCZKNCSA-N 1 2 296.208 3.397 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cc(F)cc3cccnc32)c1 ZINC000545219029 376801145 /nfs/dbraw/zinc/80/11/45/376801145.db2.gz JUFJCTDJGCATBL-UHFFFAOYSA-N 1 2 292.317 3.447 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c(F)c1 ZINC000339773915 376839552 /nfs/dbraw/zinc/83/95/52/376839552.db2.gz YMHGAHWZDLCNBY-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c(F)c1 ZINC000339773915 376839565 /nfs/dbraw/zinc/83/95/65/376839565.db2.gz YMHGAHWZDLCNBY-MRXNPFEDSA-N 1 2 288.366 3.088 20 30 CGEDLO C=CC[N@@H+](Cc1cnc(C)nc1)Cc1ccccc1F ZINC000341259169 377472431 /nfs/dbraw/zinc/47/24/31/377472431.db2.gz PWQGPKQYYNBEPG-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@H+](Cc1cnc(C)nc1)Cc1ccccc1F ZINC000341259169 377472438 /nfs/dbraw/zinc/47/24/38/377472438.db2.gz PWQGPKQYYNBEPG-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cncnc1 ZINC000162786154 542164432 /nfs/dbraw/zinc/16/44/32/542164432.db2.gz GTYQRCCXCKVEMD-UHFFFAOYSA-N 1 2 279.796 3.380 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cncnc1 ZINC000162786154 542164437 /nfs/dbraw/zinc/16/44/37/542164437.db2.gz GTYQRCCXCKVEMD-UHFFFAOYSA-N 1 2 279.796 3.380 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N)C1CCCCC1 ZINC000249889302 377541053 /nfs/dbraw/zinc/54/10/53/377541053.db2.gz QDJKKNXVPUMFBG-LSDHHAIUSA-N 1 2 293.455 3.038 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N)C1CCCCC1 ZINC000249889302 377541060 /nfs/dbraw/zinc/54/10/60/377541060.db2.gz QDJKKNXVPUMFBG-LSDHHAIUSA-N 1 2 293.455 3.038 20 30 CGEDLO C[C@H]([NH2+]Cc1ncc(C#N)cn1)c1cccc(C2CC2)c1 ZINC000573668732 377560664 /nfs/dbraw/zinc/56/06/64/377560664.db2.gz KICJGQULABCOPE-LBPRGKRZSA-N 1 2 278.359 3.076 20 30 CGEDLO Cc1c[nH+]c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000342794640 377798181 /nfs/dbraw/zinc/79/81/81/377798181.db2.gz UVGHDLURYCXNMU-IAGOWNOFSA-N 1 2 294.402 3.000 20 30 CGEDLO N#CC1(F)CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000343232750 377935225 /nfs/dbraw/zinc/93/52/25/377935225.db2.gz FYMDDJVTGCPNGE-UHFFFAOYSA-N 1 2 273.286 3.206 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(OCc2cccnc2)cc1 ZINC000267640424 378043108 /nfs/dbraw/zinc/04/31/08/378043108.db2.gz VPPSKDFDYORTAO-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(OCc2cccnc2)cc1 ZINC000267640424 378043112 /nfs/dbraw/zinc/04/31/12/378043112.db2.gz VPPSKDFDYORTAO-UHFFFAOYSA-N 1 2 281.359 3.006 20 30 CGEDLO N#Cc1cc(Cl)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269882570 378276410 /nfs/dbraw/zinc/27/64/10/378276410.db2.gz SSYGBIJXAABQNM-AWEZNQCLSA-N 1 2 298.777 3.297 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000271082727 378450926 /nfs/dbraw/zinc/45/09/26/378450926.db2.gz YSNOFVLUOUUEDJ-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000271082727 378450931 /nfs/dbraw/zinc/45/09/31/378450931.db2.gz YSNOFVLUOUUEDJ-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271144745 378463324 /nfs/dbraw/zinc/46/33/24/378463324.db2.gz XOJMARPYJXTXOQ-LBPRGKRZSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000271144745 378463333 /nfs/dbraw/zinc/46/33/33/378463333.db2.gz XOJMARPYJXTXOQ-LBPRGKRZSA-N 1 2 299.330 3.446 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(CC(C)C)no1 ZINC000272330490 378613800 /nfs/dbraw/zinc/61/38/00/378613800.db2.gz WJSRTUYKDURZEV-UHFFFAOYSA-N 1 2 289.379 3.092 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(CC(C)C)no1 ZINC000272330490 378613810 /nfs/dbraw/zinc/61/38/10/378613810.db2.gz WJSRTUYKDURZEV-UHFFFAOYSA-N 1 2 289.379 3.092 20 30 CGEDLO CN(C)c1[nH+]cccc1CNc1c(Cl)cccc1C#N ZINC000346663948 378667875 /nfs/dbraw/zinc/66/78/75/378667875.db2.gz YTHMSGKHLQPKOQ-UHFFFAOYSA-N 1 2 286.766 3.285 20 30 CGEDLO C#CC[N@@H+](CC#CC)Cc1cc(Br)ccc1F ZINC000743852303 572408408 /nfs/dbraw/zinc/40/84/08/572408408.db2.gz LHSHHSFTBLVRSM-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO C#CC[N@H+](CC#CC)Cc1cc(Br)ccc1F ZINC000743852303 572408411 /nfs/dbraw/zinc/40/84/11/572408411.db2.gz LHSHHSFTBLVRSM-UHFFFAOYSA-N 1 2 294.167 3.047 20 30 CGEDLO Cc1ccc([C@@H]([NH2+]CC2(C#N)CC2)c2ccccn2)cc1 ZINC000348364715 378929385 /nfs/dbraw/zinc/92/93/85/378929385.db2.gz FWNNEYGIFDIEQU-QGZVFWFLSA-N 1 2 277.371 3.373 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350013713 379478534 /nfs/dbraw/zinc/47/85/34/379478534.db2.gz PJVWAKWJZJOZOQ-BYCRGOAPSA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000350013713 379478541 /nfs/dbraw/zinc/47/85/41/379478541.db2.gz PJVWAKWJZJOZOQ-BYCRGOAPSA-N 1 2 250.292 3.212 20 30 CGEDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCCCC(C)(C)C#N ZINC000375721707 379507037 /nfs/dbraw/zinc/50/70/37/379507037.db2.gz WKGLRSUEPDGXKR-INIZCTEOSA-N 1 2 289.423 3.118 20 30 CGEDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCCCC(C)(C)C#N ZINC000375721707 379507048 /nfs/dbraw/zinc/50/70/48/379507048.db2.gz WKGLRSUEPDGXKR-INIZCTEOSA-N 1 2 289.423 3.118 20 30 CGEDLO C=CCOCCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000280221116 379645668 /nfs/dbraw/zinc/64/56/68/379645668.db2.gz NSEGYRRQVBVTAZ-UHFFFAOYSA-N 1 2 299.374 3.306 20 30 CGEDLO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(Cl)c1 ZINC000352490803 379835995 /nfs/dbraw/zinc/83/59/95/379835995.db2.gz LJPFLUADZQFVKM-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO CCc1nnc(NCc2c[nH+]c(C)cc2C)c(C#N)c1CC ZINC000397013369 379924424 /nfs/dbraw/zinc/92/44/24/379924424.db2.gz OIRGHJCYVWKAPM-UHFFFAOYSA-N 1 2 295.390 3.097 20 30 CGEDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000267669924 190346109 /nfs/dbraw/zinc/34/61/09/190346109.db2.gz YUJHGYYDFAZNBB-LLVKDONJSA-N 1 2 287.388 3.012 20 30 CGEDLO C[N@H+](CCC1(C#N)CCCCC1)Cc1nccs1 ZINC000411305995 380139260 /nfs/dbraw/zinc/13/92/60/380139260.db2.gz KPELKXFVLYPELG-UHFFFAOYSA-N 1 2 263.410 3.439 20 30 CGEDLO C[N@@H+](CCC1(C#N)CCCCC1)Cc1nccs1 ZINC000411305995 380139268 /nfs/dbraw/zinc/13/92/68/380139268.db2.gz KPELKXFVLYPELG-UHFFFAOYSA-N 1 2 263.410 3.439 20 30 CGEDLO COc1ccc2nc(C[N@H+](C)CC(C)(C)C#N)sc2c1 ZINC000354016800 380280506 /nfs/dbraw/zinc/28/05/06/380280506.db2.gz DAMAZGCPRCLJEG-UHFFFAOYSA-N 1 2 289.404 3.286 20 30 CGEDLO COc1ccc2nc(C[N@@H+](C)CC(C)(C)C#N)sc2c1 ZINC000354016800 380280511 /nfs/dbraw/zinc/28/05/11/380280511.db2.gz DAMAZGCPRCLJEG-UHFFFAOYSA-N 1 2 289.404 3.286 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1F)CC(C)(C)C#N ZINC000354019213 380281682 /nfs/dbraw/zinc/28/16/82/380281682.db2.gz VNYCMZTWUDZKQZ-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1F)CC(C)(C)C#N ZINC000354019213 380281687 /nfs/dbraw/zinc/28/16/87/380281687.db2.gz VNYCMZTWUDZKQZ-UHFFFAOYSA-N 1 2 254.736 3.461 20 30 CGEDLO CCc1cc(N)nc(S[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000279050307 194263552 /nfs/dbraw/zinc/26/35/52/194263552.db2.gz HFDXWTOUEPKQIZ-SNVBAGLBSA-N 1 2 284.388 3.346 20 30 CGEDLO C=CCOCCNc1cc(N(CC)c2ccccc2)nc[nH+]1 ZINC000644939690 380552146 /nfs/dbraw/zinc/55/21/46/380552146.db2.gz GFCVHYZDFXGQNX-UHFFFAOYSA-N 1 2 298.390 3.249 20 30 CGEDLO CCC[N@H+](Cc1ccccc1C#N)[C@H](CC)C(=O)OCC ZINC000361653496 381860357 /nfs/dbraw/zinc/86/03/57/381860357.db2.gz IMJWXHHWOHXEBW-MRXNPFEDSA-N 1 2 288.391 3.112 20 30 CGEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@H](CC)C(=O)OCC ZINC000361653496 381860360 /nfs/dbraw/zinc/86/03/60/381860360.db2.gz IMJWXHHWOHXEBW-MRXNPFEDSA-N 1 2 288.391 3.112 20 30 CGEDLO Cc1nsc(Nc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000288230003 197032039 /nfs/dbraw/zinc/03/20/39/197032039.db2.gz WEXVGALEDATIFE-UHFFFAOYSA-N 1 2 285.376 3.062 20 30 CGEDLO C=CCOc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1 ZINC000036988747 260061427 /nfs/dbraw/zinc/06/14/27/260061427.db2.gz KYNVQVHATYARJE-UHFFFAOYSA-N 1 2 283.375 3.325 20 30 CGEDLO C=C(C)CCc1noc(Cn2c(C)[nH+]c3ccccc32)n1 ZINC000285257911 392320456 /nfs/dbraw/zinc/32/04/56/392320456.db2.gz XOAKUIQFRKKSDB-UHFFFAOYSA-N 1 2 282.347 3.285 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000289629858 392426294 /nfs/dbraw/zinc/42/62/94/392426294.db2.gz KLRZRTSIIONVOE-UHFFFAOYSA-N 1 2 298.386 3.261 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000289978631 392437784 /nfs/dbraw/zinc/43/77/84/392437784.db2.gz XTGPTKJVCWUTME-ZDUSSCGKSA-N 1 2 272.348 3.399 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000136411013 392477674 /nfs/dbraw/zinc/47/76/74/392477674.db2.gz QNJFYISKWLNXNT-UHFFFAOYSA-N 1 2 264.756 3.010 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)cc2c1OCC2 ZINC000136411013 392477677 /nfs/dbraw/zinc/47/76/77/392477677.db2.gz QNJFYISKWLNXNT-UHFFFAOYSA-N 1 2 264.756 3.010 20 30 CGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329616069 392688419 /nfs/dbraw/zinc/68/84/19/392688419.db2.gz PSSIKYMCNBEDSP-VXGBXAGGSA-N 1 2 275.396 3.440 20 30 CGEDLO CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329616069 392688428 /nfs/dbraw/zinc/68/84/28/392688428.db2.gz PSSIKYMCNBEDSP-VXGBXAGGSA-N 1 2 275.396 3.440 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000338926534 392935393 /nfs/dbraw/zinc/93/53/93/392935393.db2.gz ORBUTLSKUUQWHL-NSHDSACASA-N 1 2 286.379 3.170 20 30 CGEDLO C[N@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339006493 392940032 /nfs/dbraw/zinc/94/00/32/392940032.db2.gz NMXKEKMRXWWEGO-IAGOWNOFSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339006493 392940038 /nfs/dbraw/zinc/94/00/38/392940038.db2.gz NMXKEKMRXWWEGO-IAGOWNOFSA-N 1 2 294.402 3.055 20 30 CGEDLO COCc1ccc(NCc2[nH+]ccn2C(C)C)cc1C#N ZINC000527760391 392958920 /nfs/dbraw/zinc/95/89/20/392958920.db2.gz BPCNFJOVBWSIBN-UHFFFAOYSA-N 1 2 284.363 3.094 20 30 CGEDLO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)c(OC)c1 ZINC000527780499 392960206 /nfs/dbraw/zinc/96/02/06/392960206.db2.gz SOKCUVDETZCORT-ZDUSSCGKSA-N 1 2 296.370 3.426 20 30 CGEDLO CCOC(=O)[C@H](C)[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411622978 392981750 /nfs/dbraw/zinc/98/17/50/392981750.db2.gz VGUULJVKURWYSC-AWEZNQCLSA-N 1 2 292.423 3.267 20 30 CGEDLO CCOC(=O)[C@H](C)[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411622978 392981755 /nfs/dbraw/zinc/98/17/55/392981755.db2.gz VGUULJVKURWYSC-AWEZNQCLSA-N 1 2 292.423 3.267 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1F ZINC000341121637 392982961 /nfs/dbraw/zinc/98/29/61/392982961.db2.gz FHWCOJZXSRBAQY-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1F ZINC000341121637 392982967 /nfs/dbraw/zinc/98/29/67/392982967.db2.gz FHWCOJZXSRBAQY-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ncc(C)cn1)c1ccc(F)c(F)c1 ZINC000360616681 393571670 /nfs/dbraw/zinc/57/16/70/393571670.db2.gz CFSVHURBFGUGDC-MRXNPFEDSA-N 1 2 289.329 3.470 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000361110210 393674641 /nfs/dbraw/zinc/67/46/41/393674641.db2.gz GGTLDBJXQKHFKU-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)s1)C2 ZINC000361110210 393674643 /nfs/dbraw/zinc/67/46/43/393674643.db2.gz GGTLDBJXQKHFKU-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO C=CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H](C)COC ZINC000667118970 542844661 /nfs/dbraw/zinc/84/46/61/542844661.db2.gz DKPWDTSWNTWCDY-ZDUSSCGKSA-N 1 2 291.395 3.062 20 30 CGEDLO C=C(C)CN(CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668153958 542975919 /nfs/dbraw/zinc/97/59/19/542975919.db2.gz AOXVZYVQMVGVLP-UHFFFAOYSA-N 1 2 272.352 3.073 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1Cl ZINC000619748667 397714763 /nfs/dbraw/zinc/71/47/63/397714763.db2.gz QFJMHFRUUWCNLR-UHFFFAOYSA-N 1 2 296.761 3.378 20 30 CGEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000678050230 543479218 /nfs/dbraw/zinc/47/92/18/543479218.db2.gz WETAVGYQZRTGKZ-ZDUSSCGKSA-N 1 2 274.191 3.362 20 30 CGEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000678050230 543479220 /nfs/dbraw/zinc/47/92/20/543479220.db2.gz WETAVGYQZRTGKZ-ZDUSSCGKSA-N 1 2 274.191 3.362 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(N(C)C)nc1)Cc1ccccc1F ZINC000678209348 543493079 /nfs/dbraw/zinc/49/30/79/543493079.db2.gz NWHJPGJSPFUTKO-UHFFFAOYSA-N 1 2 299.393 3.475 20 30 CGEDLO C=CC[N@H+](Cc1ccc(N(C)C)nc1)Cc1ccccc1F ZINC000678209348 543493081 /nfs/dbraw/zinc/49/30/81/543493081.db2.gz NWHJPGJSPFUTKO-UHFFFAOYSA-N 1 2 299.393 3.475 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1nccs1 ZINC000349544434 416542015 /nfs/dbraw/zinc/54/20/15/416542015.db2.gz WGXMCOQMYFMRJI-UHFFFAOYSA-N 1 2 250.392 3.393 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1nccs1 ZINC000349544434 416542021 /nfs/dbraw/zinc/54/20/21/416542021.db2.gz WGXMCOQMYFMRJI-UHFFFAOYSA-N 1 2 250.392 3.393 20 30 CGEDLO CC#CCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000680884847 543742250 /nfs/dbraw/zinc/74/22/50/543742250.db2.gz ZMOTYNGCAFFKFV-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO CC#CCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000680884847 543742253 /nfs/dbraw/zinc/74/22/53/543742253.db2.gz ZMOTYNGCAFFKFV-UHFFFAOYSA-N 1 2 296.183 3.360 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000680424912 543709931 /nfs/dbraw/zinc/70/99/31/543709931.db2.gz IDHJZYNHKOIROP-OLZOCXBDSA-N 1 2 299.374 3.198 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000680426882 543710586 /nfs/dbraw/zinc/71/05/86/543710586.db2.gz JTSULUMGYGZMSF-ZIAGYGMSSA-N 1 2 283.375 3.113 20 30 CGEDLO C[N@H+](Cc1nc(C2CCCC2)no1)Cc1cccc(C#N)c1 ZINC000130875317 287365558 /nfs/dbraw/zinc/36/55/58/287365558.db2.gz HOXUAXVYAXJJIO-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO C[N@@H+](Cc1nc(C2CCCC2)no1)Cc1cccc(C#N)c1 ZINC000130875317 287365562 /nfs/dbraw/zinc/36/55/62/287365562.db2.gz HOXUAXVYAXJJIO-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO C=CCOCCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000664384226 418946197 /nfs/dbraw/zinc/94/61/97/418946197.db2.gz BCRUXUKIZFVSNI-UHFFFAOYSA-N 1 2 272.348 3.248 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(CC)[nH]1 ZINC000659822149 419000549 /nfs/dbraw/zinc/00/05/49/419000549.db2.gz JOJJAOLBNRUUPY-CYBMUJFWSA-N 1 2 270.380 3.116 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(CC)[nH]1 ZINC000659822149 419000552 /nfs/dbraw/zinc/00/05/52/419000552.db2.gz JOJJAOLBNRUUPY-CYBMUJFWSA-N 1 2 270.380 3.116 20 30 CGEDLO C=CC[N@H+](Cc1nc(C)oc1C)Cc1ccc(OC)cc1 ZINC000659850518 419012871 /nfs/dbraw/zinc/01/28/71/419012871.db2.gz RTXZPBRPRLBFLY-UHFFFAOYSA-N 1 2 286.375 3.488 20 30 CGEDLO C=CC[N@@H+](Cc1nc(C)oc1C)Cc1ccc(OC)cc1 ZINC000659850518 419012874 /nfs/dbraw/zinc/01/28/74/419012874.db2.gz RTXZPBRPRLBFLY-UHFFFAOYSA-N 1 2 286.375 3.488 20 30 CGEDLO C=CCCn1cc(C[N@H+](C)C/C(C)=C\c2ccccc2)nn1 ZINC000653641833 419063581 /nfs/dbraw/zinc/06/35/81/419063581.db2.gz LKNLPPBHQIRFDU-VBKFSLOCSA-N 1 2 296.418 3.390 20 30 CGEDLO C=CCCn1cc(C[N@@H+](C)C/C(C)=C\c2ccccc2)nn1 ZINC000653641833 419063586 /nfs/dbraw/zinc/06/35/86/419063586.db2.gz LKNLPPBHQIRFDU-VBKFSLOCSA-N 1 2 296.418 3.390 20 30 CGEDLO C=CCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661540325 419270849 /nfs/dbraw/zinc/27/08/49/419270849.db2.gz LBZLJKAWZXKSRB-SNVBAGLBSA-N 1 2 271.286 3.208 20 30 CGEDLO C=CCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661540325 419270851 /nfs/dbraw/zinc/27/08/51/419270851.db2.gz LBZLJKAWZXKSRB-SNVBAGLBSA-N 1 2 271.286 3.208 20 30 CGEDLO C[C@H](c1ccccc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356056325 228103553 /nfs/dbraw/zinc/10/35/53/228103553.db2.gz MFUNSALBEILQIV-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356056325 228103556 /nfs/dbraw/zinc/10/35/56/228103556.db2.gz MFUNSALBEILQIV-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C=CCOCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662092017 419334710 /nfs/dbraw/zinc/33/47/10/419334710.db2.gz IFAXHLOJQUVKGK-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCOCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662092017 419334712 /nfs/dbraw/zinc/33/47/12/419334712.db2.gz IFAXHLOJQUVKGK-AWEZNQCLSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc(C)no1 ZINC000662520379 419449746 /nfs/dbraw/zinc/44/97/46/419449746.db2.gz DHILNNCTVVNGKK-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nc(C)no1 ZINC000662520379 419449752 /nfs/dbraw/zinc/44/97/52/419449752.db2.gz DHILNNCTVVNGKK-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(NC[C@H](C#N)CCC#N)cc2)c1C ZINC000517361445 260154794 /nfs/dbraw/zinc/15/47/94/260154794.db2.gz JNNPYRCYUVZJIF-HNNXBMFYSA-N 1 2 293.374 3.345 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000184091107 262008385 /nfs/dbraw/zinc/00/83/85/262008385.db2.gz PVHKINJBEPABGI-INIZCTEOSA-N 1 2 295.386 3.442 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC000184096488 262009318 /nfs/dbraw/zinc/00/93/18/262009318.db2.gz ZZVSEYTTYCISEG-NSHDSACASA-N 1 2 284.306 3.078 20 30 CGEDLO Cc1nc2ccccn2c1C[N@@H+](CCC#N)CCC(C)C ZINC000160632014 262289889 /nfs/dbraw/zinc/28/98/89/262289889.db2.gz LEWPOAOBLYKOEZ-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1nc2ccccn2c1C[N@H+](CCC#N)CCC(C)C ZINC000160632014 262289890 /nfs/dbraw/zinc/28/98/90/262289890.db2.gz LEWPOAOBLYKOEZ-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000272047919 263001630 /nfs/dbraw/zinc/00/16/30/263001630.db2.gz SQUDSODKHHMSNM-OCCSQVGLSA-N 1 2 278.421 3.450 20 30 CGEDLO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000272047919 263001631 /nfs/dbraw/zinc/00/16/31/263001631.db2.gz SQUDSODKHHMSNM-OCCSQVGLSA-N 1 2 278.421 3.450 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272222041 263002668 /nfs/dbraw/zinc/00/26/68/263002668.db2.gz CDEXIRAHMKQZRW-UHFFFAOYSA-N 1 2 288.391 3.377 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272222041 263002669 /nfs/dbraw/zinc/00/26/69/263002669.db2.gz CDEXIRAHMKQZRW-UHFFFAOYSA-N 1 2 288.391 3.377 20 30 CGEDLO Cc1[nH]nc2ncc(C[N@@H+](CCC#N)CCC(C)C)cc12 ZINC000353423684 263032420 /nfs/dbraw/zinc/03/24/20/263032420.db2.gz RCOZAZQZMLFTCI-UHFFFAOYSA-N 1 2 285.395 3.028 20 30 CGEDLO Cc1[nH]nc2ncc(C[N@H+](CCC#N)CCC(C)C)cc12 ZINC000353423684 263032421 /nfs/dbraw/zinc/03/24/21/263032421.db2.gz RCOZAZQZMLFTCI-UHFFFAOYSA-N 1 2 285.395 3.028 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC(O)(CC)CC)c1O ZINC000276437850 263036749 /nfs/dbraw/zinc/03/67/49/263036749.db2.gz UCZNHCGDPAXQLJ-SFQUDFHCSA-N 1 2 279.380 3.151 20 30 CGEDLO CCCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000285248769 263091548 /nfs/dbraw/zinc/09/15/48/263091548.db2.gz PVWWQLYSOVTOIT-OAHLLOKOSA-N 1 2 287.411 3.239 20 30 CGEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000285838402 263096121 /nfs/dbraw/zinc/09/61/21/263096121.db2.gz SRHVNWHWJJQOSX-QGZVFWFLSA-N 1 2 296.374 3.329 20 30 CGEDLO CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCC#N ZINC000288986083 263106994 /nfs/dbraw/zinc/10/69/94/263106994.db2.gz CVVCYOPYFUAFDT-HWKANZROSA-N 1 2 250.292 3.214 20 30 CGEDLO CC[N@H+](C/C=C/c1ccc(F)c(F)c1)CCC#N ZINC000288986083 263106995 /nfs/dbraw/zinc/10/69/95/263106995.db2.gz CVVCYOPYFUAFDT-HWKANZROSA-N 1 2 250.292 3.214 20 30 CGEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000292210562 263129606 /nfs/dbraw/zinc/12/96/06/263129606.db2.gz OJKOWTLZXCAOAP-CQSZACIVSA-N 1 2 298.308 3.140 20 30 CGEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000292210562 263129607 /nfs/dbraw/zinc/12/96/07/263129607.db2.gz OJKOWTLZXCAOAP-CQSZACIVSA-N 1 2 298.308 3.140 20 30 CGEDLO C[C@@H]([NH2+]CCC#N)c1nc(-c2ccccc2)cs1 ZINC000298981844 263228301 /nfs/dbraw/zinc/22/83/01/263228301.db2.gz PLVMVQHQCAMFMR-LLVKDONJSA-N 1 2 257.362 3.374 20 30 CGEDLO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)no1 ZINC000342195520 263398827 /nfs/dbraw/zinc/39/88/27/263398827.db2.gz BQZJKMVUOQSVKN-OAHLLOKOSA-N 1 2 255.321 3.118 20 30 CGEDLO Cc1cn2cc(NC(=O)N[C@H]3CCCC[C@H]3C)ccc2[nH+]1 ZINC000328857289 263881633 /nfs/dbraw/zinc/88/16/33/263881633.db2.gz XTNVEUIJNSTYCX-RISCZKNCSA-N 1 2 286.379 3.357 20 30 CGEDLO CC(C)c1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000330801842 264042333 /nfs/dbraw/zinc/04/23/33/264042333.db2.gz ALDWYPIWMZBLJF-GOEBONIOSA-N 1 2 285.391 3.030 20 30 CGEDLO CC[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)c1[nH]cc[nH+]1 ZINC000331276308 264170211 /nfs/dbraw/zinc/17/02/11/264170211.db2.gz OAFHFTLHRMXBMR-LBPRGKRZSA-N 1 2 289.383 3.126 20 30 CGEDLO Cc1cc(C)c(NC(=O)N[C@@H](CO)CC(C)(C)C)c(C)[nH+]1 ZINC000331293008 264197943 /nfs/dbraw/zinc/19/79/43/264197943.db2.gz BUSNTUVXWZJSOT-CYBMUJFWSA-N 1 2 293.411 3.130 20 30 CGEDLO C#CCCCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000130546140 264356218 /nfs/dbraw/zinc/35/62/18/264356218.db2.gz IDLRDQLWKBTZEE-UHFFFAOYSA-N 1 2 280.375 3.316 20 30 CGEDLO C=C(Br)C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130741021 264360023 /nfs/dbraw/zinc/36/00/23/264360023.db2.gz UFAPAUYBHHUUBT-NSHDSACASA-N 1 2 284.201 3.072 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000130741021 264360026 /nfs/dbraw/zinc/36/00/26/264360026.db2.gz UFAPAUYBHHUUBT-NSHDSACASA-N 1 2 284.201 3.072 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000134977926 264543960 /nfs/dbraw/zinc/54/39/60/264543960.db2.gz NPJGGVDBLONBLS-KRWDZBQOSA-N 1 2 283.375 3.091 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000357678286 266344951 /nfs/dbraw/zinc/34/49/51/266344951.db2.gz RRBBILDFUGDOMJ-CQSZACIVSA-N 1 2 285.391 3.206 20 30 CGEDLO Cc1cc(N[C@@H]2CCCc3sccc32)c(C#N)c[nH+]1 ZINC000399466723 267300907 /nfs/dbraw/zinc/30/09/07/267300907.db2.gz TZUYBEGLXANUPZ-CYBMUJFWSA-N 1 2 269.373 3.235 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000370313201 267308535 /nfs/dbraw/zinc/30/85/35/267308535.db2.gz HRZWMJFKSAFMHZ-DOTOQJQBSA-N 1 2 285.366 3.309 20 30 CGEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000370313201 267308536 /nfs/dbraw/zinc/30/85/36/267308536.db2.gz HRZWMJFKSAFMHZ-DOTOQJQBSA-N 1 2 285.366 3.309 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)no1 ZINC000377015270 268040282 /nfs/dbraw/zinc/04/02/82/268040282.db2.gz QLUWSGNIPDFZFO-KRWDZBQOSA-N 1 2 266.344 3.172 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)no1 ZINC000377015270 268040288 /nfs/dbraw/zinc/04/02/88/268040288.db2.gz QLUWSGNIPDFZFO-KRWDZBQOSA-N 1 2 266.344 3.172 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000276797633 275388770 /nfs/dbraw/zinc/38/87/70/275388770.db2.gz MAPSJHTVPGZPIF-LJQANCHMSA-N 1 2 277.367 3.112 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000276797633 275388771 /nfs/dbraw/zinc/38/87/71/275388771.db2.gz MAPSJHTVPGZPIF-LJQANCHMSA-N 1 2 277.367 3.112 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2ccc(C#N)cc2)c(C)[nH+]1 ZINC000097039931 280394402 /nfs/dbraw/zinc/39/44/02/280394402.db2.gz CQICXSGOOZGXMO-UHFFFAOYSA-N 1 2 265.316 3.131 20 30 CGEDLO CC(F)(F)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000550256276 289071651 /nfs/dbraw/zinc/07/16/51/289071651.db2.gz SJCVEQPFDGAYKS-UHFFFAOYSA-N 1 2 278.224 3.322 20 30 CGEDLO Cc1nc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(Cl)cc1C#N ZINC000333712992 293342011 /nfs/dbraw/zinc/34/20/11/293342011.db2.gz QFJSSVBOJNLMPI-PRHODGIISA-N 1 2 287.754 3.230 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000563019561 327765736 /nfs/dbraw/zinc/76/57/36/327765736.db2.gz HRBPGMWHHQEXMU-FZMZJTMJSA-N 1 2 294.358 3.114 20 30 CGEDLO C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112635457 327962273 /nfs/dbraw/zinc/96/22/73/327962273.db2.gz VKZQEDHGRBQQRT-ZDUSSCGKSA-N 1 2 295.342 3.248 20 30 CGEDLO C=C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413142752 328141468 /nfs/dbraw/zinc/14/14/68/328141468.db2.gz VPFATSPTNNVWLW-UHFFFAOYSA-N 1 2 269.304 3.299 20 30 CGEDLO C=C(C)CN(CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436500008 328169157 /nfs/dbraw/zinc/16/91/57/328169157.db2.gz YRJTXUJITXIKSD-UHFFFAOYSA-N 1 2 261.369 3.437 20 30 CGEDLO C=CCCCCCCCCNC(=O)CCc1c[nH+]cn1C ZINC000288269609 328252635 /nfs/dbraw/zinc/25/26/35/328252635.db2.gz MBBAGDQKDCEAJX-UHFFFAOYSA-N 1 2 291.439 3.386 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc4ncccc4c3)n2c1 ZINC000159125688 321829302 /nfs/dbraw/zinc/82/93/02/321829302.db2.gz SGOHOERLBBHSRY-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000567013400 322146931 /nfs/dbraw/zinc/14/69/31/322146931.db2.gz WOWWVGPUUAEQAX-OAHLLOKOSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000567013400 322146933 /nfs/dbraw/zinc/14/69/33/322146933.db2.gz WOWWVGPUUAEQAX-OAHLLOKOSA-N 1 2 292.810 3.459 20 30 CGEDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](C#N)CCC#N ZINC000078316116 327134790 /nfs/dbraw/zinc/13/47/90/327134790.db2.gz PDRBSFSYJOMPKM-CYBMUJFWSA-N 1 2 293.317 3.163 20 30 CGEDLO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](C#N)CCC#N ZINC000078316116 327134792 /nfs/dbraw/zinc/13/47/92/327134792.db2.gz PDRBSFSYJOMPKM-CYBMUJFWSA-N 1 2 293.317 3.163 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(-c2ccc(C)cc2)no1 ZINC000569501258 327186516 /nfs/dbraw/zinc/18/65/16/327186516.db2.gz NJYDBSNTDCUOTO-AWEZNQCLSA-N 1 2 269.348 3.432 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(C#N)CC1 ZINC000555710203 327249582 /nfs/dbraw/zinc/24/95/82/327249582.db2.gz XXFXQEWEEQACAG-UHFFFAOYSA-N 1 2 293.370 3.151 20 30 CGEDLO CCCc1csc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC000562337648 327472522 /nfs/dbraw/zinc/47/25/22/327472522.db2.gz OPWJIJIDIHMYKK-UHFFFAOYSA-N 1 2 272.377 3.169 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000180165569 329218245 /nfs/dbraw/zinc/21/82/45/329218245.db2.gz GKYWPYBUDCOKNT-GOSISDBHSA-N 1 2 299.370 3.418 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000180165569 329218246 /nfs/dbraw/zinc/21/82/46/329218246.db2.gz GKYWPYBUDCOKNT-GOSISDBHSA-N 1 2 299.370 3.418 20 30 CGEDLO COCC[C@H]([NH2+][C@H](C#N)C1CCCCC1)C(C)(C)C ZINC000509000185 332854999 /nfs/dbraw/zinc/85/49/99/332854999.db2.gz XOIUZOJSAUINPB-CABCVRRESA-N 1 2 266.429 3.500 20 30 CGEDLO COCC[C@H]([NH2+][C@@H](C#N)C1CCCCC1)C(C)(C)C ZINC000509000190 332855003 /nfs/dbraw/zinc/85/50/03/332855003.db2.gz XOIUZOJSAUINPB-GJZGRUSLSA-N 1 2 266.429 3.500 20 30 CGEDLO C=C(C)[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(F)c(F)c1 ZINC000187375601 329356872 /nfs/dbraw/zinc/35/68/72/329356872.db2.gz PRSDUCLPKLZLAW-AWEZNQCLSA-N 1 2 263.291 3.095 20 30 CGEDLO C=CCN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000161859235 329956951 /nfs/dbraw/zinc/95/69/51/329956951.db2.gz HUMGKPPXQSPCTH-UHFFFAOYSA-N 1 2 268.316 3.132 20 30 CGEDLO CCc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433010501 330612025 /nfs/dbraw/zinc/61/20/25/330612025.db2.gz KWXJETGYHYHDGM-CQSZACIVSA-N 1 2 284.363 3.157 20 30 CGEDLO C=CCCCC[NH2+][C@H](Cc1ccc(Cl)cc1)C(=O)OC ZINC000438306536 330721355 /nfs/dbraw/zinc/72/13/55/330721355.db2.gz SHXMKJVPMPJXEK-OAHLLOKOSA-N 1 2 295.810 3.370 20 30 CGEDLO Cc1cccc2[nH+]cc(CN3CCCC(C)(C)[C@H]3C#N)n21 ZINC000446974801 330859127 /nfs/dbraw/zinc/85/91/27/330859127.db2.gz LVJOWONVELWMCM-OAHLLOKOSA-N 1 2 282.391 3.157 20 30 CGEDLO C=C[C@H](CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456442415 331192810 /nfs/dbraw/zinc/19/28/10/331192810.db2.gz ZQDDJNMFQHFCCO-FMKPAKJESA-N 1 2 295.386 3.365 20 30 CGEDLO Cc1cc(F)c(C[NH2+]CC(C)(C)C#N)c(Cl)c1 ZINC000459487295 331284559 /nfs/dbraw/zinc/28/45/59/331284559.db2.gz QXQBABGJVPHBAW-UHFFFAOYSA-N 1 2 254.736 3.427 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccc(F)cc1 ZINC000491348958 332194539 /nfs/dbraw/zinc/19/45/39/332194539.db2.gz FWAUNBHOLINPBI-INIZCTEOSA-N 1 2 273.282 3.135 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(F)cc1 ZINC000491681697 332285014 /nfs/dbraw/zinc/28/50/14/332285014.db2.gz NYNJESPYAVTTBE-KRWDZBQOSA-N 1 2 280.346 3.174 20 30 CGEDLO C=CCCCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000193570876 333253261 /nfs/dbraw/zinc/25/32/61/333253261.db2.gz HTESAAYWCXJXGT-OAHLLOKOSA-N 1 2 291.391 3.300 20 30 CGEDLO C=CCCCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000193570876 333253262 /nfs/dbraw/zinc/25/32/62/333253262.db2.gz HTESAAYWCXJXGT-OAHLLOKOSA-N 1 2 291.391 3.300 20 30 CGEDLO N#CCC1CC[NH+](Cc2nc(C(F)(F)F)cs2)CC1 ZINC000542878293 333847408 /nfs/dbraw/zinc/84/74/08/333847408.db2.gz GEFZLZKPQASCIN-UHFFFAOYSA-N 1 2 289.326 3.288 20 30 CGEDLO C=CC1CC[NH+](Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000131108920 333903096 /nfs/dbraw/zinc/90/30/96/333903096.db2.gz AJKYDVWRLVHODT-LLVKDONJSA-N 1 2 281.425 3.282 20 30 CGEDLO C=CC[C@H](CO)[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000556259779 334504716 /nfs/dbraw/zinc/50/47/16/334504716.db2.gz IPHUZIWYRYDDRQ-UKRRQHHQSA-N 1 2 299.361 3.307 20 30 CGEDLO CC(C)(C)[C@@H]([NH2+]CCCSCC#N)C(F)(F)F ZINC000566638303 334658690 /nfs/dbraw/zinc/65/86/90/334658690.db2.gz UNUNOUIIXPMDOJ-SECBINFHSA-N 1 2 268.348 3.200 20 30 CGEDLO Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc[nH+]1 ZINC000182319684 335810127 /nfs/dbraw/zinc/81/01/27/335810127.db2.gz QKHHTLMBZPAADX-UHFFFAOYSA-N 1 2 277.327 3.198 20 30 CGEDLO C[C@@H](c1cccc(Br)c1)[N@H+](C)CCC#N ZINC000194972274 336041469 /nfs/dbraw/zinc/04/14/69/336041469.db2.gz AVZOWGUWIPUDPP-JTQLQIEISA-N 1 2 267.170 3.356 20 30 CGEDLO C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCC#N ZINC000194972274 336041470 /nfs/dbraw/zinc/04/14/70/336041470.db2.gz AVZOWGUWIPUDPP-JTQLQIEISA-N 1 2 267.170 3.356 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000581437102 336077738 /nfs/dbraw/zinc/07/77/38/336077738.db2.gz ARJLHRJYGZXACP-NWDGAFQWSA-N 1 2 291.420 3.017 20 30 CGEDLO Cc1cc(N2CC[C@@H](c3ccc(F)cc3)C2)c(C#N)c[nH+]1 ZINC000425235856 533902886 /nfs/dbraw/zinc/90/28/86/533902886.db2.gz JCMSWEQBCAXZET-CQSZACIVSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1cc(N2CC[C@@H](c3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000425225698 533903081 /nfs/dbraw/zinc/90/30/81/533903081.db2.gz MPHSAPGFZZNQNF-CQSZACIVSA-N 1 2 281.334 3.395 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1(C#N)CCC1 ZINC000336070430 534218963 /nfs/dbraw/zinc/21/89/63/534218963.db2.gz NERNSGDJQMRIHE-UHFFFAOYSA-N 1 2 280.331 3.018 20 30 CGEDLO Cc1ccccc1-c1cccc(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000354978525 534791356 /nfs/dbraw/zinc/79/13/56/534791356.db2.gz JRLATHWIOVBBJS-UHFFFAOYSA-N 1 2 292.382 3.122 20 30 CGEDLO Cc1csc(C2(NC(=O)CCc3c[nH+]c[nH]3)CCC2)n1 ZINC000330022468 534793529 /nfs/dbraw/zinc/79/35/29/534793529.db2.gz ZPAAUNUGFJJDGA-UHFFFAOYSA-N 1 2 290.392 3.143 20 30 CGEDLO Cc1csc(C2(NC(=O)CCc3c[nH]c[nH+]3)CCC2)n1 ZINC000330022468 534793535 /nfs/dbraw/zinc/79/35/35/534793535.db2.gz ZPAAUNUGFJJDGA-UHFFFAOYSA-N 1 2 290.392 3.143 20 30 CGEDLO C=C1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000351456684 526906693 /nfs/dbraw/zinc/90/66/93/526906693.db2.gz XZWHNVZIVNCBMK-UHFFFAOYSA-N 1 2 254.424 3.158 20 30 CGEDLO C=CCCN(C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000355958915 527307828 /nfs/dbraw/zinc/30/78/28/527307828.db2.gz PJFHGOLGGQGVTP-UHFFFAOYSA-N 1 2 297.402 3.338 20 30 CGEDLO CC(C)c1nnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425531452 528424184 /nfs/dbraw/zinc/42/41/84/528424184.db2.gz HLJSWCWUWADABR-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO CC(C)c1nnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425531452 528424186 /nfs/dbraw/zinc/42/41/86/528424186.db2.gz HLJSWCWUWADABR-LBPRGKRZSA-N 1 2 284.363 3.258 20 30 CGEDLO CCCOCc1ccccc1CNc1cc(C)[nH+]cc1C#N ZINC000425202975 528592453 /nfs/dbraw/zinc/59/24/53/528592453.db2.gz DLWVPCHIOIEFPS-UHFFFAOYSA-N 1 2 295.386 3.222 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](CC)CCC)c1=S ZINC000727821890 571771040 /nfs/dbraw/zinc/77/10/40/571771040.db2.gz UOSOHPPUPXKZOX-UHFFFAOYSA-N 1 2 280.441 3.167 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](CC)CCC)c1=S ZINC000727821890 571771044 /nfs/dbraw/zinc/77/10/44/571771044.db2.gz UOSOHPPUPXKZOX-UHFFFAOYSA-N 1 2 280.441 3.167 20 30 CGEDLO Fc1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CO2 ZINC000730147316 571951121 /nfs/dbraw/zinc/95/11/21/571951121.db2.gz BNYSJBSJBHACLN-UHFFFAOYSA-N 1 2 293.301 3.004 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1csc(C)n1 ZINC000730148608 571951519 /nfs/dbraw/zinc/95/15/19/571951519.db2.gz YYOXRZOQRBTRIS-UHFFFAOYSA-N 1 2 282.372 3.258 20 30 CGEDLO N#CCC[N@H+](CC1CC1)Cn1ccc(-c2cccs2)n1 ZINC000731660339 572422699 /nfs/dbraw/zinc/42/26/99/572422699.db2.gz JFWNNEZYNJCBQE-UHFFFAOYSA-N 1 2 286.404 3.195 20 30 CGEDLO N#CCC[N@@H+](CC1CC1)Cn1ccc(-c2cccs2)n1 ZINC000731660339 572422700 /nfs/dbraw/zinc/42/27/00/572422700.db2.gz JFWNNEZYNJCBQE-UHFFFAOYSA-N 1 2 286.404 3.195 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H](O)C(CC)CC)c(O)c1 ZINC000731938002 572439281 /nfs/dbraw/zinc/43/92/81/572439281.db2.gz QJBKZZKMFCWVDL-KFXAOSDLSA-N 1 2 279.380 3.007 20 30 CGEDLO C[C@@H]1CC[C@H](/[NH+]=C/c2ccc(O)c(O)c2O)[C@H](C)C1 ZINC000733080847 572506812 /nfs/dbraw/zinc/50/68/12/572506812.db2.gz DAIYJDLRBPPLCZ-YETQCJSISA-N 1 2 263.337 3.047 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)OCCC ZINC000741781231 572527158 /nfs/dbraw/zinc/52/71/58/572527158.db2.gz MLXXZKKFDPLTMR-HNNXBMFYSA-N 1 2 275.392 3.059 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)OCCC ZINC000741781231 572527161 /nfs/dbraw/zinc/52/71/61/572527161.db2.gz MLXXZKKFDPLTMR-HNNXBMFYSA-N 1 2 275.392 3.059 20 30 CGEDLO CN(C)c1ccc(C=[NH+]Nc2cnnc3ccccc32)cc1 ZINC000733749829 572601322 /nfs/dbraw/zinc/60/13/22/572601322.db2.gz AUWAUYSTRXGQSB-UHFFFAOYSA-N 1 2 291.358 3.142 20 30 CGEDLO Cc1ncc(CO)c(/C=[NH+]/CC[C@@H]2CCCC[C@@H]2C)c1O ZINC000733904153 572612269 /nfs/dbraw/zinc/61/22/69/572612269.db2.gz VFVZWWMKXYCQFP-KCELOSIBSA-N 1 2 290.407 3.223 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC(C2CC2)C2CC2)c1 ZINC000743043814 572635530 /nfs/dbraw/zinc/63/55/30/572635530.db2.gz ASQPOUAWHUCVNU-RQZCQDPDSA-N 1 2 259.349 3.256 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2CC[C@H](SC)C2)c1O ZINC000743042272 572635600 /nfs/dbraw/zinc/63/56/00/572635600.db2.gz ITXCPZRMMNURJQ-BGAHDCEISA-N 1 2 265.378 3.104 20 30 CGEDLO Oc1ccccc1/C=[NH+]/CC1Cc2ccccc2C1 ZINC000735229129 572706928 /nfs/dbraw/zinc/70/69/28/572706928.db2.gz RUONTNUDUQLSKG-LDADJPATSA-N 1 2 251.329 3.226 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@@H](C)c2ccncc2)c1 ZINC000749845705 573047254 /nfs/dbraw/zinc/04/72/54/573047254.db2.gz TVRKHSQHKHOIAJ-CQLSMYGBSA-N 1 2 284.359 3.409 20 30 CGEDLO COc1cccc(/C=[NH+]/CC2CCC(OC)CC2)c1O ZINC000749931965 573061752 /nfs/dbraw/zinc/06/17/52/573061752.db2.gz YBSIHDXHUYXUSD-GZTJUZNOSA-N 1 2 277.364 3.025 20 30 CGEDLO C=CCCCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750500558 573141086 /nfs/dbraw/zinc/14/10/86/573141086.db2.gz CZOQQCNJRMRECT-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C=CCCCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750500558 573141092 /nfs/dbraw/zinc/14/10/92/573141092.db2.gz CZOQQCNJRMRECT-MRXNPFEDSA-N 1 2 291.366 3.300 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000950353005 613294877 /nfs/dbraw/zinc/29/48/77/613294877.db2.gz AVCFHNUKJZZGLN-GOEBONIOSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000981781898 613373366 /nfs/dbraw/zinc/37/33/66/613373366.db2.gz JXFNODJHFFKSDM-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000981781898 613373367 /nfs/dbraw/zinc/37/33/67/613373367.db2.gz JXFNODJHFFKSDM-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922288 613377736 /nfs/dbraw/zinc/37/77/36/613377736.db2.gz UROINZQZWWFZMA-SMDDNHRTSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967922288 613377737 /nfs/dbraw/zinc/37/77/37/613377737.db2.gz UROINZQZWWFZMA-SMDDNHRTSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974870227 613379476 /nfs/dbraw/zinc/37/94/76/613379476.db2.gz IJPXZZWUYSKFOD-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974870227 613379477 /nfs/dbraw/zinc/37/94/77/613379477.db2.gz IJPXZZWUYSKFOD-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)c2c(n1)CCCC2 ZINC000891933333 618391610 /nfs/dbraw/zinc/39/16/10/618391610.db2.gz GLEOOWVCIBPTTB-CYBMUJFWSA-N 1 2 257.381 3.003 20 30 CGEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)c2c(n1)CCCC2 ZINC000891933333 618391623 /nfs/dbraw/zinc/39/16/23/618391623.db2.gz GLEOOWVCIBPTTB-CYBMUJFWSA-N 1 2 257.381 3.003 20 30 CGEDLO CCSCCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926363302 618562805 /nfs/dbraw/zinc/56/28/05/618562805.db2.gz XGDVEUFOVUEHJY-CQSZACIVSA-N 1 2 278.421 3.448 20 30 CGEDLO CC(=O)c1cc(F)cc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000050142649 618650827 /nfs/dbraw/zinc/65/08/27/618650827.db2.gz LLRVIHUESKFWRE-UHFFFAOYSA-N 1 2 292.354 3.106 20 30 CGEDLO CC(=O)c1cc(F)cc(C[N@H+](CCC#N)CC(C)C)c1O ZINC000050142649 618650831 /nfs/dbraw/zinc/65/08/31/618650831.db2.gz LLRVIHUESKFWRE-UHFFFAOYSA-N 1 2 292.354 3.106 20 30 CGEDLO C=C(Br)C[N@@H+](CC)Cc1ccccc1 ZINC000052439930 618716718 /nfs/dbraw/zinc/71/67/18/618716718.db2.gz RQIFDNJPGGAYCO-UHFFFAOYSA-N 1 2 254.171 3.417 20 30 CGEDLO C=C(Br)C[N@H+](CC)Cc1ccccc1 ZINC000052439930 618716719 /nfs/dbraw/zinc/71/67/19/618716719.db2.gz RQIFDNJPGGAYCO-UHFFFAOYSA-N 1 2 254.171 3.417 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]\CCCn1cccn1 ZINC000255755135 618784947 /nfs/dbraw/zinc/78/49/47/618784947.db2.gz JJQHRXKOLKBRQB-AQTBWJFISA-N 1 2 279.343 3.251 20 30 CGEDLO CC[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000926777462 618883703 /nfs/dbraw/zinc/88/37/03/618883703.db2.gz CZHWJDRNECEBHN-DOMZBBRYSA-N 1 2 290.432 3.448 20 30 CGEDLO CC[C@H]([NH2+]CCC(C)(C)COC)c1cccc(C#N)c1O ZINC000926821200 618916766 /nfs/dbraw/zinc/91/67/66/618916766.db2.gz HLSMEIYGTDVSRE-HNNXBMFYSA-N 1 2 290.407 3.367 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(CCC(C)C)n1)[C@@H]1CCCO1 ZINC000775789160 619101242 /nfs/dbraw/zinc/10/12/42/619101242.db2.gz KRPHOIHNZBRIJD-GJZGRUSLSA-N 1 2 292.448 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006675135 619157405 /nfs/dbraw/zinc/15/74/05/619157405.db2.gz FQTCIWWCMJOVNW-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006675135 619157406 /nfs/dbraw/zinc/15/74/06/619157406.db2.gz FQTCIWWCMJOVNW-HNNXBMFYSA-N 1 2 298.858 3.290 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(Br)n1 ZINC000310116315 619209907 /nfs/dbraw/zinc/20/99/07/619209907.db2.gz HECXKNWKJOHMNK-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(Br)n1 ZINC000310116315 619209910 /nfs/dbraw/zinc/20/99/10/619209910.db2.gz HECXKNWKJOHMNK-UHFFFAOYSA-N 1 2 296.212 3.216 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1OCC(F)F)CC1CC1 ZINC000894003967 619350138 /nfs/dbraw/zinc/35/01/38/619350138.db2.gz VBRLZVSTJUHPFL-UHFFFAOYSA-N 1 2 294.345 3.456 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1OCC(F)F)CC1CC1 ZINC000894003967 619350141 /nfs/dbraw/zinc/35/01/41/619350141.db2.gz VBRLZVSTJUHPFL-UHFFFAOYSA-N 1 2 294.345 3.456 20 30 CGEDLO CC[C@@H]([NH2+]CCCCCOC)c1cccc(C#N)c1O ZINC000924873974 619383219 /nfs/dbraw/zinc/38/32/19/619383219.db2.gz ZUOGUZAGLANRDM-OAHLLOKOSA-N 1 2 276.380 3.121 20 30 CGEDLO Cc1ccc2[nH+]cc(C=C3C(=O)c4ccccc4C3=O)n2c1 ZINC000178765506 619384949 /nfs/dbraw/zinc/38/49/49/619384949.db2.gz VZYWOONYMISFLV-UHFFFAOYSA-N 1 2 288.306 3.105 20 30 CGEDLO CC1(CC(F)(F)F)C[NH+](CC#Cc2ccccc2)C1 ZINC000894841334 619648900 /nfs/dbraw/zinc/64/89/00/619648900.db2.gz VITZEIAIBNBNOZ-UHFFFAOYSA-N 1 2 267.294 3.312 20 30 CGEDLO C#CCCOc1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000894891659 619670429 /nfs/dbraw/zinc/67/04/29/619670429.db2.gz BCEUBWXGEXMCRW-UHFFFAOYSA-N 1 2 283.293 3.083 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccccc2F)ccc1F ZINC000049066044 619679114 /nfs/dbraw/zinc/67/91/14/619679114.db2.gz ZSVOAMZSFPMBJO-UHFFFAOYSA-N 1 2 276.286 3.110 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079828492 620354589 /nfs/dbraw/zinc/35/45/89/620354589.db2.gz VTTMXMHZKDWCGU-LBPRGKRZSA-N 1 2 268.282 3.441 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079828492 620354590 /nfs/dbraw/zinc/35/45/90/620354590.db2.gz VTTMXMHZKDWCGU-LBPRGKRZSA-N 1 2 268.282 3.441 20 30 CGEDLO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(Cl)c1O ZINC000898215838 620488637 /nfs/dbraw/zinc/48/86/37/620488637.db2.gz RTUVNRXQYJZJLT-SNVBAGLBSA-N 1 2 266.772 3.464 20 30 CGEDLO CC[C@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc(C#N)c1O ZINC000927014593 620560834 /nfs/dbraw/zinc/56/08/34/620560834.db2.gz PAJKMCWIUXYCOU-RDJZCZTQSA-N 1 2 288.391 3.264 20 30 CGEDLO Cn1c[nH+]cc1/C=C1\C(=O)c2cccc3c2[C@H]1CCC3 ZINC000901489571 620898657 /nfs/dbraw/zinc/89/86/57/620898657.db2.gz LYUHDHZHFXQCGC-PBTLCFMXSA-N 1 2 264.328 3.120 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2c(nccc2Cl)C1=O ZINC000901541297 620920250 /nfs/dbraw/zinc/92/02/50/620920250.db2.gz UMGJEHSXVYKFTR-YHYXMXQVSA-N 1 2 287.750 3.335 20 30 CGEDLO COc1ccc2c(c1)C[C@@H](C)/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901578318 620944927 /nfs/dbraw/zinc/94/49/27/620944927.db2.gz KJGCDXBIVNNEJW-VCBXAZPMSA-N 1 2 296.370 3.494 20 30 CGEDLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902789236 621447483 /nfs/dbraw/zinc/44/74/83/621447483.db2.gz IFYQAHPFGVAXNG-QWRGUYRKSA-N 1 2 272.377 3.130 20 30 CGEDLO C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(C#N)ccn1 ZINC000902878697 621481786 /nfs/dbraw/zinc/48/17/86/621481786.db2.gz JSYPHSYZDVITDV-ZUZCIYMTSA-N 1 2 299.761 3.391 20 30 CGEDLO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1cc(C#N)ccn1 ZINC000902915575 621490619 /nfs/dbraw/zinc/49/06/19/621490619.db2.gz SKDCEFSFBACPHY-GFCCVEGCSA-N 1 2 281.334 3.432 20 30 CGEDLO COC[C@H]([NH2+]CC(C)(C)C#N)c1cccc(Cl)c1 ZINC000903102054 621576032 /nfs/dbraw/zinc/57/60/32/621576032.db2.gz QTEMOQGHRVEJRK-ZDUSSCGKSA-N 1 2 266.772 3.167 20 30 CGEDLO COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903105664 621577891 /nfs/dbraw/zinc/57/78/91/621577891.db2.gz HMLLQEORNKXPHF-JTQLQIEISA-N 1 2 264.756 3.303 20 30 CGEDLO C=C[C@H](CC)Cc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000903997117 621849849 /nfs/dbraw/zinc/84/98/49/621849849.db2.gz QCYTXHXEQKABQG-CYBMUJFWSA-N 1 2 296.374 3.371 20 30 CGEDLO C=CC[C@@H]1N(C(=O)CNc2cccc[nH+]2)CCCC1(C)C ZINC000907776220 622310826 /nfs/dbraw/zinc/31/08/26/622310826.db2.gz ZECRNYJUSLWSPA-AWEZNQCLSA-N 1 2 287.407 3.087 20 30 CGEDLO N#Cc1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000227366204 623017719 /nfs/dbraw/zinc/01/77/19/623017719.db2.gz LOJBCFYNBSDXLD-UHFFFAOYSA-N 1 2 291.148 3.204 20 30 CGEDLO Cc1ccc(F)c(C[NH+]2CCC(C#N)CC2)c1F ZINC000929414939 623339840 /nfs/dbraw/zinc/33/98/40/623339840.db2.gz KFCQLPMQFBQORJ-UHFFFAOYSA-N 1 2 250.292 3.009 20 30 CGEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914568430 623830407 /nfs/dbraw/zinc/83/04/07/623830407.db2.gz ICFQJNOLLWSFKF-LLVKDONJSA-N 1 2 282.457 3.232 20 30 CGEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914568430 623830408 /nfs/dbraw/zinc/83/04/08/623830408.db2.gz ICFQJNOLLWSFKF-LLVKDONJSA-N 1 2 282.457 3.232 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCCOC(C)C)c(O)c1 ZINC000920942882 624554422 /nfs/dbraw/zinc/55/44/22/624554422.db2.gz MLOHRPUMQTZIQS-WJDWOHSUSA-N 1 2 265.353 3.025 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCc2ccccc2)c(O)c1 ZINC000920943576 624555560 /nfs/dbraw/zinc/55/55/60/624555560.db2.gz QGPFIELEIHLZMM-QGOAFFKASA-N 1 2 269.344 3.453 20 30 CGEDLO Cc1csc([C@H](C)[NH2+]Cc2csc(C#N)c2)n1 ZINC000921667254 625814812 /nfs/dbraw/zinc/81/48/12/625814812.db2.gz NOVLXOKDFJEGSG-VIFPVBQESA-N 1 2 263.391 3.236 20 30 CGEDLO CCOCC(C)(C)C/[NH+]=C\c1ccc(OCC)cc1O ZINC000809144203 626361061 /nfs/dbraw/zinc/36/10/61/626361061.db2.gz HBZVVUSDFWGCPJ-YVLHZVERSA-N 1 2 279.380 3.273 20 30 CGEDLO CN1CCc2cc(C=[NH+]Nc3nc4ccccc4[nH]3)ccc21 ZINC000752720104 626435953 /nfs/dbraw/zinc/43/59/53/626435953.db2.gz ZOFKNWXLMBIXPP-UHFFFAOYSA-N 1 2 291.358 3.001 20 30 CGEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(C#N)s1 ZINC000762447244 627110834 /nfs/dbraw/zinc/11/08/34/627110834.db2.gz ARCXPIJJLNLOQR-UHFFFAOYSA-N 1 2 292.367 3.426 20 30 CGEDLO COCCOc1ccccc1C[N@H+](CCC#N)CC(C)C ZINC000768153413 627463707 /nfs/dbraw/zinc/46/37/07/627463707.db2.gz FWZZTYOTWQQLPL-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO COCCOc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000768153413 627463709 /nfs/dbraw/zinc/46/37/09/627463709.db2.gz FWZZTYOTWQQLPL-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO C#CC[N@@H+](Cc1occc1C)Cc1ccc(F)cc1 ZINC000769146295 627526070 /nfs/dbraw/zinc/52/60/70/627526070.db2.gz RZQPNMQXHFNSLD-UHFFFAOYSA-N 1 2 257.308 3.363 20 30 CGEDLO C#CC[N@H+](Cc1occc1C)Cc1ccc(F)cc1 ZINC000769146295 627526075 /nfs/dbraw/zinc/52/60/75/627526075.db2.gz RZQPNMQXHFNSLD-UHFFFAOYSA-N 1 2 257.308 3.363 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000769546751 627564727 /nfs/dbraw/zinc/56/47/27/627564727.db2.gz ZPGRVYDBKISECQ-GFCCVEGCSA-N 1 2 275.371 3.016 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000769546751 627564731 /nfs/dbraw/zinc/56/47/31/627564731.db2.gz ZPGRVYDBKISECQ-GFCCVEGCSA-N 1 2 275.371 3.016 20 30 CGEDLO O=C1c2cccc(F)c2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769610294 627569389 /nfs/dbraw/zinc/56/93/89/627569389.db2.gz OULVJFQWVHDXDM-LUAWRHEFSA-N 1 2 278.286 3.296 20 30 CGEDLO Cc1cccn2c(/C=C/C(=O)c3ccco3)c[nH+]c12 ZINC000769772021 627576729 /nfs/dbraw/zinc/57/67/29/627576729.db2.gz UZPNXAIHMGRSBQ-VOTSOKGWSA-N 1 2 252.273 3.132 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccco1 ZINC000769770367 627576753 /nfs/dbraw/zinc/57/67/53/627576753.db2.gz HLMFVJHSLWIVDY-SNAWJCMRSA-N 1 2 272.691 3.477 20 30 CGEDLO NC(=[NH+]OCc1ccc2ncccc2c1)c1ccc(F)cc1 ZINC000769822207 627581381 /nfs/dbraw/zinc/58/13/81/627581381.db2.gz RZMDUEYTQOYNJJ-UHFFFAOYSA-N 1 2 295.317 3.211 20 30 CGEDLO C=CC[N@@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000771640367 627724833 /nfs/dbraw/zinc/72/48/33/627724833.db2.gz FUXAZQYVULKSEE-OAHLLOKOSA-N 1 2 290.794 3.221 20 30 CGEDLO C=CC[N@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000771640367 627724835 /nfs/dbraw/zinc/72/48/35/627724835.db2.gz FUXAZQYVULKSEE-OAHLLOKOSA-N 1 2 290.794 3.221 20 30 CGEDLO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000772381248 627788785 /nfs/dbraw/zinc/78/87/85/627788785.db2.gz IRVUTOOUWBCHFQ-UHFFFAOYSA-N 1 2 266.728 3.399 20 30 CGEDLO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000772381248 627788789 /nfs/dbraw/zinc/78/87/89/627788789.db2.gz IRVUTOOUWBCHFQ-UHFFFAOYSA-N 1 2 266.728 3.399 20 30 CGEDLO C=CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)C ZINC000773421282 627882769 /nfs/dbraw/zinc/88/27/69/627882769.db2.gz ORJNXASJBJAKKV-UHFFFAOYSA-N 1 2 294.402 3.449 20 30 CGEDLO C=CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)C ZINC000773421282 627882772 /nfs/dbraw/zinc/88/27/72/627882772.db2.gz ORJNXASJBJAKKV-UHFFFAOYSA-N 1 2 294.402 3.449 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000774777200 628027172 /nfs/dbraw/zinc/02/71/72/628027172.db2.gz URRANGQNWHNTSC-INIZCTEOSA-N 1 2 296.370 3.086 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000774777200 628027173 /nfs/dbraw/zinc/02/71/73/628027173.db2.gz URRANGQNWHNTSC-INIZCTEOSA-N 1 2 296.370 3.086 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000775342360 628084338 /nfs/dbraw/zinc/08/43/38/628084338.db2.gz QOUQFVUDYOWOTR-LSDHHAIUSA-N 1 2 298.411 3.081 20 30 CGEDLO CC(=[NH+]OCCC(F)(F)F)c1ccccc1N(C)C ZINC000777462474 628274305 /nfs/dbraw/zinc/27/43/05/628274305.db2.gz BTPGQLOHCJGYBG-UHFFFAOYSA-N 1 2 274.286 3.446 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC[C@@H]2CCCCO2)c(O)c1 ZINC000779707690 628421629 /nfs/dbraw/zinc/42/16/29/628421629.db2.gz PVJSMJCLLOTZNY-VMOJBDSFSA-N 1 2 277.364 3.169 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782454473 628647972 /nfs/dbraw/zinc/64/79/72/628647972.db2.gz FCZYKAJWKOBSQP-UHFFFAOYSA-N 1 2 295.736 3.490 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782454473 628647974 /nfs/dbraw/zinc/64/79/74/628647974.db2.gz FCZYKAJWKOBSQP-UHFFFAOYSA-N 1 2 295.736 3.490 20 30 CGEDLO C=CC[N@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000782455820 628648009 /nfs/dbraw/zinc/64/80/09/628648009.db2.gz WFTLOKMVIKUMGC-UHFFFAOYSA-N 1 2 295.736 3.489 20 30 CGEDLO C=CC[N@@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000782455820 628648010 /nfs/dbraw/zinc/64/80/10/628648010.db2.gz WFTLOKMVIKUMGC-UHFFFAOYSA-N 1 2 295.736 3.489 20 30 CGEDLO CCCCCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000786739664 628960182 /nfs/dbraw/zinc/96/01/82/628960182.db2.gz WTNUYKUBFKREMH-HNNXBMFYSA-N 1 2 291.439 3.312 20 30 CGEDLO C=C[C@H](CC(=O)OCCCc1[nH+]ccn1C)c1ccccc1 ZINC000789792481 629167385 /nfs/dbraw/zinc/16/73/85/629167385.db2.gz WOCDETXPQMRYOB-OAHLLOKOSA-N 1 2 298.386 3.256 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(Cl)cc1Cl ZINC000790305678 629202377 /nfs/dbraw/zinc/20/23/77/629202377.db2.gz MGWIBZGBXRVWFS-UHFFFAOYSA-N 1 2 269.135 3.173 20 30 CGEDLO CCCCCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000875764510 634730437 /nfs/dbraw/zinc/73/04/37/634730437.db2.gz DFRNSSIZYYRQIG-CQSZACIVSA-N 1 2 292.427 3.269 20 30 CGEDLO CC[C@@H](C)CON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000793164013 629420322 /nfs/dbraw/zinc/42/03/22/629420322.db2.gz PSMOPDAVVLMPTP-CYBMUJFWSA-N 1 2 257.337 3.269 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000793594441 629487869 /nfs/dbraw/zinc/48/78/69/629487869.db2.gz YAVKXZQOGXBMTA-SECBINFHSA-N 1 2 275.245 3.178 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(F)cccc1OC(F)(F)F ZINC000793594441 629487872 /nfs/dbraw/zinc/48/78/72/629487872.db2.gz YAVKXZQOGXBMTA-SECBINFHSA-N 1 2 275.245 3.178 20 30 CGEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(F)cc2)s1 ZINC000794690607 629567913 /nfs/dbraw/zinc/56/79/13/629567913.db2.gz JWKFOMNOKGOLQP-FPLPWBNLSA-N 1 2 290.363 3.240 20 30 CGEDLO CC(C)=CCC[C@H](C)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000795887643 629722718 /nfs/dbraw/zinc/72/27/18/629722718.db2.gz SAESFPBHWAEJSY-FUHWJXTLSA-N 1 2 289.467 3.431 20 30 CGEDLO CC(C)=CCC[C@H](C)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000795887643 629722721 /nfs/dbraw/zinc/72/27/21/629722721.db2.gz SAESFPBHWAEJSY-FUHWJXTLSA-N 1 2 289.467 3.431 20 30 CGEDLO C#CC[N@@H+](Cc1cnc(Cl)cn1)[C@H]1CCc2ccccc21 ZINC000799116544 630145512 /nfs/dbraw/zinc/14/55/12/630145512.db2.gz NONUHSOLGCHLIZ-INIZCTEOSA-N 1 2 297.789 3.253 20 30 CGEDLO C#CC[N@H+](Cc1cnc(Cl)cn1)[C@H]1CCc2ccccc21 ZINC000799116544 630145515 /nfs/dbraw/zinc/14/55/15/630145515.db2.gz NONUHSOLGCHLIZ-INIZCTEOSA-N 1 2 297.789 3.253 20 30 CGEDLO Cc1[nH+]c(C(C)N=Nc2ncc(Cl)cc2Cl)cn1C ZINC000800807378 630300576 /nfs/dbraw/zinc/30/05/76/630300576.db2.gz SNEGCDQATPXFMS-UHFFFAOYSA-N 1 2 298.177 3.266 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000801646635 630349286 /nfs/dbraw/zinc/34/92/86/630349286.db2.gz UUBVRWMJDDFLIB-ISIGILQNSA-N 1 2 291.391 3.413 20 30 CGEDLO C[C@H](C#N)OCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000801914584 630363009 /nfs/dbraw/zinc/36/30/09/630363009.db2.gz XJUBCJLBRRHZAK-SNVBAGLBSA-N 1 2 287.190 3.354 20 30 CGEDLO C[C@H](C#N)OCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000801914584 630363011 /nfs/dbraw/zinc/36/30/11/630363011.db2.gz XJUBCJLBRRHZAK-SNVBAGLBSA-N 1 2 287.190 3.354 20 30 CGEDLO CCOc1ccc(/C=[NH+]\C[C@@H]2CCCSC2)c(O)c1 ZINC000806550787 630565586 /nfs/dbraw/zinc/56/55/86/630565586.db2.gz FNVFRBGEUUHSQX-KPENOIPVSA-N 1 2 279.405 3.353 20 30 CGEDLO CN(C)c1cc(COc2cc(Cl)cc(C#N)c2)cc[nH+]1 ZINC000806585270 630569093 /nfs/dbraw/zinc/56/90/93/630569093.db2.gz OYDCQZMCJUNTLA-UHFFFAOYSA-N 1 2 287.750 3.252 20 30 CGEDLO C=CCCC[C@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000878224000 635420653 /nfs/dbraw/zinc/42/06/53/635420653.db2.gz UDYWVFVQORNSGX-KRWDZBQOSA-N 1 2 297.402 3.139 20 30 CGEDLO C#Cc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000809607933 630761049 /nfs/dbraw/zinc/76/10/49/630761049.db2.gz KWFLJGYQEMUTPO-UHFFFAOYSA-N 1 2 277.371 3.275 20 30 CGEDLO CC(C)(CCC#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000809777685 630805015 /nfs/dbraw/zinc/80/50/15/630805015.db2.gz DVTFUZRSAHMQFM-UHFFFAOYSA-N 1 2 266.772 3.465 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000811590336 631088760 /nfs/dbraw/zinc/08/87/60/631088760.db2.gz XUGAYSJLXHFNDH-HNNXBMFYSA-N 1 2 289.423 3.088 20 30 CGEDLO C[NH+](C)c1ccc(N2CCC(=NOCC3CC3)CC2)cc1 ZINC000814243705 631557700 /nfs/dbraw/zinc/55/77/00/631557700.db2.gz KJPSTBKSWCFJIG-UHFFFAOYSA-N 1 2 287.407 3.135 20 30 CGEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1cc(N)ccc1F ZINC000814858748 631656676 /nfs/dbraw/zinc/65/66/76/631656676.db2.gz FTQVHIFCJQPHCM-UHFFFAOYSA-N 1 2 278.718 3.292 20 30 CGEDLO CC1(C)CC(=[NH+]OC/C=C/Cl)c2cc(N)ccc2O1 ZINC000814934805 631689655 /nfs/dbraw/zinc/68/96/55/631689655.db2.gz ZKXJFMNRSFXYQN-SUMYFIPESA-N 1 2 280.755 3.303 20 30 CGEDLO CCOc1ccc(O)c(/C=N/Cc2cc(C)[nH+]c(C)c2)c1 ZINC000817707738 632202148 /nfs/dbraw/zinc/20/21/48/632202148.db2.gz MSTMVCTVFRRZBT-WOJGMQOQSA-N 1 2 284.359 3.422 20 30 CGEDLO Nc1ccc(/C=C/C(=O)c2cccc(Cl)c2)c[nH+]1 ZINC000821027768 632714119 /nfs/dbraw/zinc/71/41/19/632714119.db2.gz KQZFCVQNSATQSF-GQCTYLIASA-N 1 2 258.708 3.213 20 30 CGEDLO C[C@@H]([NH2+]CCc1ccsc1)c1cccc(C#N)c1O ZINC000866222676 633034045 /nfs/dbraw/zinc/03/40/45/633034045.db2.gz PPAUOBJAZWWDTG-LLVKDONJSA-N 1 2 272.373 3.219 20 30 CGEDLO CO[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866237801 633039692 /nfs/dbraw/zinc/03/96/92/633039692.db2.gz KDEUNMWNPKGFPI-DYVFJYSZSA-N 1 2 296.370 3.302 20 30 CGEDLO C[C@H]([NH2+]CCCOC1CCCC1)c1cccc(C#N)c1O ZINC000866251690 633045843 /nfs/dbraw/zinc/04/58/43/633045843.db2.gz ZOJGKYHNJNQVAX-ZDUSSCGKSA-N 1 2 288.391 3.264 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C1CCOCC1 ZINC000866277581 633062113 /nfs/dbraw/zinc/06/21/13/633062113.db2.gz NXZBHZWUKRVKDN-BLLLJJGKSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(C#N)c1O ZINC000866307216 633074924 /nfs/dbraw/zinc/07/49/24/633074924.db2.gz USSHOJZSDXLMIH-TZMCWYRMSA-N 1 2 286.375 3.016 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cccc(C#N)c1O ZINC000866336908 633085553 /nfs/dbraw/zinc/08/55/53/633085553.db2.gz SQLUUOATIMQYPE-YPMHNXCESA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc(C#N)c1O ZINC000866355711 633097075 /nfs/dbraw/zinc/09/70/75/633097075.db2.gz BZSJUVLRRXYYMK-NEPJUHHUSA-N 1 2 276.405 3.058 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000826861525 633437953 /nfs/dbraw/zinc/43/79/53/633437953.db2.gz GLWRBOYHOTYTGX-LLVKDONJSA-N 1 2 264.756 3.171 20 30 CGEDLO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000827650400 633507037 /nfs/dbraw/zinc/50/70/37/633507037.db2.gz QJILCGXESPLRKD-AWEZNQCLSA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)c(Cl)c1 ZINC000827650400 633507042 /nfs/dbraw/zinc/50/70/42/633507042.db2.gz QJILCGXESPLRKD-AWEZNQCLSA-N 1 2 264.756 3.090 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486103 633619077 /nfs/dbraw/zinc/61/90/77/633619077.db2.gz CANGYKGTZIEUHR-GXSJLCMTSA-N 1 2 261.196 3.194 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486103 633619084 /nfs/dbraw/zinc/61/90/84/633619084.db2.gz CANGYKGTZIEUHR-GXSJLCMTSA-N 1 2 261.196 3.194 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486112 633619102 /nfs/dbraw/zinc/61/91/02/633619102.db2.gz CANGYKGTZIEUHR-ONGXEEELSA-N 1 2 261.196 3.194 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000828486112 633619105 /nfs/dbraw/zinc/61/91/05/633619105.db2.gz CANGYKGTZIEUHR-ONGXEEELSA-N 1 2 261.196 3.194 20 30 CGEDLO COc1ccccc1C1([NH2+]Cc2ccc(F)cc2C#N)CC1 ZINC000829693445 633767836 /nfs/dbraw/zinc/76/78/36/633767836.db2.gz JEKRGAHSJGJIKZ-UHFFFAOYSA-N 1 2 296.345 3.485 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000829804539 633789054 /nfs/dbraw/zinc/78/90/54/633789054.db2.gz ITUGIYUWZLMPAM-CQSZACIVSA-N 1 2 287.407 3.353 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000829804539 633789064 /nfs/dbraw/zinc/78/90/64/633789064.db2.gz ITUGIYUWZLMPAM-CQSZACIVSA-N 1 2 287.407 3.353 20 30 CGEDLO CC(C)ON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000834999747 634307348 /nfs/dbraw/zinc/30/73/48/634307348.db2.gz DXIJIJVBGYPPQN-UHFFFAOYSA-N 1 2 275.396 3.134 20 30 CGEDLO COc1c(C)cnc(C[NH2+]Cc2cc(C#N)ccc2F)c1C ZINC000877067819 634969296 /nfs/dbraw/zinc/96/92/96/634969296.db2.gz JIXCAXPEWMQQNT-UHFFFAOYSA-N 1 2 299.349 3.008 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC(C)(C)C(C)(C)O)c(O)c1 ZINC000840708912 635037790 /nfs/dbraw/zinc/03/77/90/635037790.db2.gz FYCKFAMAZWJDRK-LICLKQGHSA-N 1 2 279.380 3.007 20 30 CGEDLO C=CC[N@H+](Cc1noc2c1CC(C)(C)CC2)[C@@H](C)COC ZINC000878889537 635650818 /nfs/dbraw/zinc/65/08/18/635650818.db2.gz ATZOTADKXSDAKA-ZDUSSCGKSA-N 1 2 292.423 3.212 20 30 CGEDLO C=CC[N@@H+](Cc1noc2c1CC(C)(C)CC2)[C@@H](C)COC ZINC000878889537 635650826 /nfs/dbraw/zinc/65/08/26/635650826.db2.gz ATZOTADKXSDAKA-ZDUSSCGKSA-N 1 2 292.423 3.212 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443648 636000799 /nfs/dbraw/zinc/00/07/99/636000799.db2.gz HIVXSRJWDHULBT-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443648 636000801 /nfs/dbraw/zinc/00/08/01/636000801.db2.gz HIVXSRJWDHULBT-SNVBAGLBSA-N 1 2 250.292 3.015 20 30 CGEDLO N#CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000846012004 636129246 /nfs/dbraw/zinc/12/92/46/636129246.db2.gz SXRRRWIGYNQFLW-UHFFFAOYSA-N 1 2 293.754 3.422 20 30 CGEDLO Cc1cc(C#N)ccc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000846753757 636229107 /nfs/dbraw/zinc/22/91/07/636229107.db2.gz VFUUOVBGMHPFCW-GUYCJALGSA-N 1 2 280.375 3.151 20 30 CGEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)c2sccc21 ZINC000848416372 636571797 /nfs/dbraw/zinc/57/17/97/636571797.db2.gz JFTDAYATKYUWST-GFCCVEGCSA-N 1 2 288.420 3.226 20 30 CGEDLO CC(C)(C)C1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848417903 636572806 /nfs/dbraw/zinc/57/28/06/636572806.db2.gz GTQXCOGMPRGRCS-UHFFFAOYSA-N 1 2 276.428 3.455 20 30 CGEDLO Cc1ccc([C@H]2CCCC2=NNCCCn2cc[nH+]c2)cc1 ZINC000848418445 636573222 /nfs/dbraw/zinc/57/32/22/636573222.db2.gz NDEOGWJGNWFTIS-QGZVFWFLSA-N 1 2 296.418 3.495 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000848418774 636573241 /nfs/dbraw/zinc/57/32/41/636573241.db2.gz TUDHWZSTUCQYQQ-CQSZACIVSA-N 1 2 270.380 3.042 20 30 CGEDLO CC[C@H]1CC[C@@H](C)CC1=NNCCCn1cc[nH+]c1 ZINC000848417439 636573251 /nfs/dbraw/zinc/57/32/51/636573251.db2.gz ZPGZLQRKDKBYHP-KGLIPLIRSA-N 1 2 262.401 3.065 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000853537392 637863803 /nfs/dbraw/zinc/86/38/03/637863803.db2.gz WTGWEWSUIXZXIZ-ZDUSSCGKSA-N 1 2 294.468 3.320 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C(C)C)n(C)c2=S)C1 ZINC000853537392 637863809 /nfs/dbraw/zinc/86/38/09/637863809.db2.gz WTGWEWSUIXZXIZ-ZDUSSCGKSA-N 1 2 294.468 3.320 20 30 CGEDLO C=CC[C@@H]1CCC[N@@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000853536814 637864110 /nfs/dbraw/zinc/86/41/10/637864110.db2.gz IODUBUBFFGAJFM-CYBMUJFWSA-N 1 2 294.468 3.415 20 30 CGEDLO C=CC[C@@H]1CCC[N@H+](Cn2ncn(C(C)(C)C)c2=S)C1 ZINC000853536814 637864116 /nfs/dbraw/zinc/86/41/16/637864116.db2.gz IODUBUBFFGAJFM-CYBMUJFWSA-N 1 2 294.468 3.415 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)C(C)(C)O ZINC000853673172 637888408 /nfs/dbraw/zinc/88/84/08/637888408.db2.gz RQHWLJIJPLQZBP-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1C[C@@H](OC(C)C)C1 ZINC000853680516 637891363 /nfs/dbraw/zinc/89/13/63/637891363.db2.gz GJWKSHOFRSDNBR-GASCZTMLSA-N 1 2 288.391 3.242 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000853689754 637892496 /nfs/dbraw/zinc/89/24/96/637892496.db2.gz LPVZFYPIVYYVMS-ZNMIVQPWSA-N 1 2 288.391 3.099 20 30 CGEDLO C=C1CC(c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)C1 ZINC000924122701 638302244 /nfs/dbraw/zinc/30/22/44/638302244.db2.gz SKKIQAHONLCAFL-CYBMUJFWSA-N 1 2 272.352 3.335 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cncc(OCC)c1 ZINC000857014904 638427203 /nfs/dbraw/zinc/42/72/03/638427203.db2.gz OXQHJASAXFPEJB-UHFFFAOYSA-N 1 2 298.361 3.255 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cncc(OCC)c1 ZINC000857014904 638427206 /nfs/dbraw/zinc/42/72/06/638427206.db2.gz OXQHJASAXFPEJB-UHFFFAOYSA-N 1 2 298.361 3.255 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc(C#N)c1O ZINC000924955598 638430624 /nfs/dbraw/zinc/43/06/24/638430624.db2.gz SVPCYBHDHYJDIG-BBRMVZONSA-N 1 2 289.423 3.035 20 30 CGEDLO CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925186968 638470560 /nfs/dbraw/zinc/47/05/60/638470560.db2.gz UWAJBEIZRJGYDE-BBRMVZONSA-N 1 2 290.407 3.103 20 30 CGEDLO CCC(F)(F)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000858258686 638666058 /nfs/dbraw/zinc/66/60/58/638666058.db2.gz GFSGQBYOFIXWOB-NSHDSACASA-N 1 2 268.307 3.112 20 30 CGEDLO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cccc(C#N)c1O ZINC000926484791 638775942 /nfs/dbraw/zinc/77/59/42/638775942.db2.gz DWTPUIFNDCRMLR-ZWNOBZJWSA-N 1 2 250.317 3.053 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(Br)n1 ZINC000926626500 638791669 /nfs/dbraw/zinc/79/16/69/638791669.db2.gz IQTPKWFUORNENT-JTQLQIEISA-N 1 2 294.196 3.189 20 30 CGEDLO CC[N@@H+](Cc1cnc(Br)c(C)c1)C[C@@H](C)C#N ZINC000929429778 638924855 /nfs/dbraw/zinc/92/48/55/638924855.db2.gz QSROCPRFCMMCEW-JTQLQIEISA-N 1 2 296.212 3.134 20 30 CGEDLO CC[N@H+](Cc1cnc(Br)c(C)c1)C[C@@H](C)C#N ZINC000929429778 638924856 /nfs/dbraw/zinc/92/48/56/638924856.db2.gz QSROCPRFCMMCEW-JTQLQIEISA-N 1 2 296.212 3.134 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000932156566 639278068 /nfs/dbraw/zinc/27/80/68/639278068.db2.gz IOSFLTBTHIYNHN-ZDUSSCGKSA-N 1 2 298.308 3.363 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000932156566 639278075 /nfs/dbraw/zinc/27/80/75/639278075.db2.gz IOSFLTBTHIYNHN-ZDUSSCGKSA-N 1 2 298.308 3.363 20 30 CGEDLO C[C@](C#N)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC000932887124 639393225 /nfs/dbraw/zinc/39/32/25/639393225.db2.gz QDRUQLIRUJZVNI-QGZVFWFLSA-N 1 2 296.374 3.155 20 30 CGEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934001574 639519623 /nfs/dbraw/zinc/51/96/23/639519623.db2.gz FLOFZJUCWJPLHK-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001574 639519628 /nfs/dbraw/zinc/51/96/28/639519628.db2.gz FLOFZJUCWJPLHK-UHFFFAOYSA-N 1 2 282.343 3.324 20 30 CGEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)cnn1C(C)C ZINC000188892326 640156781 /nfs/dbraw/zinc/15/67/81/640156781.db2.gz HNCZDTIOKJGVCH-BQYQJAHWSA-N 1 2 294.358 3.316 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC000957436258 640803976 /nfs/dbraw/zinc/80/39/76/640803976.db2.gz SADOZLFVZNBYLM-UHFFFAOYSA-N 1 2 292.467 3.312 20 30 CGEDLO CC(C)n1ccc2c1nc[nH+]c2NC1=CC(=O)CCC1 ZINC001155710333 805606957 /nfs/dbraw/zinc/60/69/57/805606957.db2.gz UQTJMGLZXBMIBX-UHFFFAOYSA-N 1 2 270.336 3.061 20 30 CGEDLO CN(C)c1ccc2[nH]c(-c3cccc(C#N)c3)[nH+]c2c1 ZINC001250459307 805630128 /nfs/dbraw/zinc/63/01/28/805630128.db2.gz QTPSULKMCTUJLP-UHFFFAOYSA-N 1 2 262.316 3.168 20 30 CGEDLO N#Cc1c(Cl)nc2cccc(Cl)c2c1NC=[NH2+] ZINC001157079773 805773346 /nfs/dbraw/zinc/77/33/46/805773346.db2.gz AERANFKHVZGNFQ-UHFFFAOYSA-N 1 2 265.103 3.432 20 30 CGEDLO C[C@H](CNc1cc(CC#N)cc[nH+]1)c1ccc(O)cc1 ZINC001158608349 805974874 /nfs/dbraw/zinc/97/48/74/805974874.db2.gz ZXLJTSVICXPOCG-GFCCVEGCSA-N 1 2 267.332 3.069 20 30 CGEDLO C=C[C@@](C)(O)CNc1[nH+]cccc1OCc1ccccc1 ZINC001252538805 806057577 /nfs/dbraw/zinc/05/75/77/806057577.db2.gz MGPYVWXWPNXDRS-QGZVFWFLSA-N 1 2 284.359 3.010 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2ccncc2C1 ZINC001253238482 806190633 /nfs/dbraw/zinc/19/06/33/806190633.db2.gz FFFPWRNQNJNVQW-KRWDZBQOSA-N 1 2 274.408 3.285 20 30 CGEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2ccncc2C1 ZINC001253238482 806190636 /nfs/dbraw/zinc/19/06/36/806190636.db2.gz FFFPWRNQNJNVQW-KRWDZBQOSA-N 1 2 274.408 3.285 20 30 CGEDLO CSc1cc[nH+]c(NCCOc2ccc(C#N)cc2)c1 ZINC001160283621 806248904 /nfs/dbraw/zinc/24/89/04/806248904.db2.gz XPBSWYYCYPBPCQ-UHFFFAOYSA-N 1 2 285.372 3.166 20 30 CGEDLO N#CCc1cc[nH+]c(NC2CC3(C2)CC(F)(F)C3)c1 ZINC001160591361 806287501 /nfs/dbraw/zinc/28/75/01/806287501.db2.gz SHHCWWUUULFCBY-UHFFFAOYSA-N 1 2 263.291 3.137 20 30 CGEDLO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC001254644417 806470173 /nfs/dbraw/zinc/47/01/73/806470173.db2.gz XKHKIZLREADBLM-CRWXNKLISA-N 1 2 280.412 3.025 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254654598 806475739 /nfs/dbraw/zinc/47/57/39/806475739.db2.gz WHAJNXMHZDCWLI-JKSUJKDBSA-N 1 2 253.349 3.095 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254654598 806475742 /nfs/dbraw/zinc/47/57/42/806475742.db2.gz WHAJNXMHZDCWLI-JKSUJKDBSA-N 1 2 253.349 3.095 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C)c1nnc2ccccn21 ZINC001162177598 806522435 /nfs/dbraw/zinc/52/24/35/806522435.db2.gz ARDHESYOEORUDC-ZDUSSCGKSA-N 1 2 293.374 3.334 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001255165183 806563347 /nfs/dbraw/zinc/56/33/47/806563347.db2.gz VDGYTPZPUDRLJU-ZIAGYGMSSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001255165183 806563353 /nfs/dbraw/zinc/56/33/53/806563353.db2.gz VDGYTPZPUDRLJU-ZIAGYGMSSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001255172678 806566578 /nfs/dbraw/zinc/56/65/78/806566578.db2.gz RKTBHWMEXBGSCG-STQMWFEESA-N 1 2 280.318 3.110 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001255172678 806566585 /nfs/dbraw/zinc/56/65/85/806566585.db2.gz RKTBHWMEXBGSCG-STQMWFEESA-N 1 2 280.318 3.110 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3C[C@]34CCCOC4)c2c1 ZINC001162371303 806567786 /nfs/dbraw/zinc/56/77/86/806567786.db2.gz QOSNQSOIGGOFRA-RDJZCZTQSA-N 1 2 279.343 3.087 20 30 CGEDLO N#CCc1cc[nH+]c(NC2(Cc3ccc(O)cc3)CC2)c1 ZINC001162735182 806654987 /nfs/dbraw/zinc/65/49/87/806654987.db2.gz UQRDMUBSHKPUIA-UHFFFAOYSA-N 1 2 279.343 3.040 20 30 CGEDLO CC1(C)C[C@H]([NH2+]C2(C#N)CCCCCC2)CCO1 ZINC001255526472 806663851 /nfs/dbraw/zinc/66/38/51/806663851.db2.gz UCRMJOLBVLAWBV-CYBMUJFWSA-N 1 2 250.386 3.150 20 30 CGEDLO Cc1c[nH+]c(Nc2cc(Br)c(C#N)cc2F)[nH]1 ZINC001162781137 806664824 /nfs/dbraw/zinc/66/48/24/806664824.db2.gz MKCBYWFZMCZKIU-UHFFFAOYSA-N 1 2 295.115 3.235 20 30 CGEDLO COC[C@@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001255582471 806679374 /nfs/dbraw/zinc/67/93/74/806679374.db2.gz UXXFNJOQMNOVTI-GFCCVEGCSA-N 1 2 266.772 3.091 20 30 CGEDLO COC[C@@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001255582471 806679377 /nfs/dbraw/zinc/67/93/77/806679377.db2.gz UXXFNJOQMNOVTI-GFCCVEGCSA-N 1 2 266.772 3.091 20 30 CGEDLO N#CC1(CSCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001255682602 806704595 /nfs/dbraw/zinc/70/45/95/806704595.db2.gz VBEUWDNCMZNKHE-UHFFFAOYSA-N 1 2 269.373 3.409 20 30 CGEDLO C[C@@H](Nc1[nH+]ccc2ccc(C#N)cc21)c1ccno1 ZINC001163209343 806722486 /nfs/dbraw/zinc/72/24/86/806722486.db2.gz YQPABZGOXMIELE-SNVBAGLBSA-N 1 2 264.288 3.268 20 30 CGEDLO N#CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000425957566 799603098 /nfs/dbraw/zinc/60/30/98/799603098.db2.gz CCDYMFVKFPLKDX-UHFFFAOYSA-N 1 2 283.158 3.272 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccccc1C)C(=O)OCC ZINC001255852819 806768606 /nfs/dbraw/zinc/76/86/06/806768606.db2.gz DPBIHSJBPSALKI-GDBMZVCRSA-N 1 2 275.392 3.023 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@@](C)(O)c2ccccc2)c1O ZINC000588523251 799705914 /nfs/dbraw/zinc/70/59/14/799705914.db2.gz XTGYHRFCQUHJAP-ZJYZBMPFSA-N 1 2 299.370 3.118 20 30 CGEDLO C=C(Br)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000697659972 799848477 /nfs/dbraw/zinc/84/84/77/799848477.db2.gz HFBNLVMJEXAVCY-MRVPVSSYSA-N 1 2 254.118 3.015 20 30 CGEDLO C=C(Br)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000697659972 799848483 /nfs/dbraw/zinc/84/84/83/799848483.db2.gz HFBNLVMJEXAVCY-MRVPVSSYSA-N 1 2 254.118 3.015 20 30 CGEDLO N#CC1(c2cc[nH+]c(NC[C@@H]3Cc4ccccc4O3)c2)CC1 ZINC001163861949 806839683 /nfs/dbraw/zinc/83/96/83/806839683.db2.gz NIXLWAQVGLANIA-HNNXBMFYSA-N 1 2 291.354 3.052 20 30 CGEDLO C#CC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000830345502 800486181 /nfs/dbraw/zinc/48/61/81/800486181.db2.gz GBNFAFOPSCUUFU-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001031112365 800903823 /nfs/dbraw/zinc/90/38/23/800903823.db2.gz UZSKBJQMBUZEDK-LSDHHAIUSA-N 1 2 292.467 3.215 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001032215294 800921603 /nfs/dbraw/zinc/92/16/03/800921603.db2.gz DEVWQBLAWZUTNZ-CQSZACIVSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032893080 800943564 /nfs/dbraw/zinc/94/35/64/800943564.db2.gz MYLMBQVLTYMNED-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032893080 800943569 /nfs/dbraw/zinc/94/35/69/800943569.db2.gz MYLMBQVLTYMNED-OAHLLOKOSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033039 800950889 /nfs/dbraw/zinc/95/08/89/800950889.db2.gz NFUZJMRVYDUMMV-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033039 800950891 /nfs/dbraw/zinc/95/08/91/800950891.db2.gz NFUZJMRVYDUMMV-HNNXBMFYSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001044187207 801231147 /nfs/dbraw/zinc/23/11/47/801231147.db2.gz ZEOYXIZIUXIHPN-OAHLLOKOSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107276 801299508 /nfs/dbraw/zinc/29/95/08/801299508.db2.gz BPGOFYMYUCZZSU-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107276 801299516 /nfs/dbraw/zinc/29/95/16/801299516.db2.gz BPGOFYMYUCZZSU-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046299186 801306835 /nfs/dbraw/zinc/30/68/35/801306835.db2.gz GQCHJYWKXPCZSH-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046299186 801306842 /nfs/dbraw/zinc/30/68/42/801306842.db2.gz GQCHJYWKXPCZSH-CQSZACIVSA-N 1 2 298.839 3.003 20 30 CGEDLO CCCCCCCC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001164341251 806936222 /nfs/dbraw/zinc/93/62/22/806936222.db2.gz CZGNWGYJLCGLEJ-AWEZNQCLSA-N 1 2 265.401 3.308 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001110376099 802137325 /nfs/dbraw/zinc/13/73/25/802137325.db2.gz GONSCSMXOJUKJG-MYPMTAMASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001110376099 802137332 /nfs/dbraw/zinc/13/73/32/802137332.db2.gz GONSCSMXOJUKJG-MYPMTAMASA-N 1 2 298.858 3.287 20 30 CGEDLO C=CC[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(=O)OCC ZINC001116789804 802410858 /nfs/dbraw/zinc/41/08/58/802410858.db2.gz KPSZDEQIYCGANU-AVVWSFFYSA-N 1 2 291.366 3.169 20 30 CGEDLO CCCCCCC[C@@H](CCC)[NH2+][C@H](C(=O)OC)[C@@H](C)O ZINC001172501337 808356825 /nfs/dbraw/zinc/35/68/25/808356825.db2.gz GOOOIXZHJFELIC-KFWWJZLASA-N 1 2 287.444 3.028 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)s1 ZINC001117391200 802464727 /nfs/dbraw/zinc/46/47/27/802464727.db2.gz GBNBUVDIVZHLSY-FPLPWBNLSA-N 1 2 272.373 3.414 20 30 CGEDLO C=CC(C)(C)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001120678125 802760414 /nfs/dbraw/zinc/76/04/14/802760414.db2.gz AFZSZGRLMIGXPM-AWEZNQCLSA-N 1 2 292.810 3.025 20 30 CGEDLO C=CCC[C@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001120813609 802781203 /nfs/dbraw/zinc/78/12/03/802781203.db2.gz ICFOICJNNGUMTH-INIZCTEOSA-N 1 2 297.402 3.142 20 30 CGEDLO N#Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC001125152936 803051355 /nfs/dbraw/zinc/05/13/55/803051355.db2.gz YGDOEYVLWKSNIK-UHFFFAOYSA-N 1 2 294.339 3.058 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(C)c(C#N)c1 ZINC001244494904 803402625 /nfs/dbraw/zinc/40/26/25/803402625.db2.gz DTRMXZSYRGTSJF-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO CNc1cc(-c2ccc(C#C[Si](C)(C)C)nc2)cc[nH+]1 ZINC001244977786 803600944 /nfs/dbraw/zinc/60/09/44/803600944.db2.gz XAFXJSPVXKTCTA-UHFFFAOYSA-N 1 2 281.435 3.414 20 30 CGEDLO O/N=C/c1cccc(-c2c[nH+]cn2Cc2ccccc2)c1 ZINC001245197139 803661210 /nfs/dbraw/zinc/66/12/10/803661210.db2.gz NHQMQZJEWABAQW-VXLYETTFSA-N 1 2 277.327 3.407 20 30 CGEDLO Cc1cccn2c(C[N@H+](CCC#N)C3CCCC3)cnc12 ZINC001136962927 803663371 /nfs/dbraw/zinc/66/33/71/803663371.db2.gz DUXKLYMWKFIRBT-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO Cc1cccn2c(C[N@@H+](CCC#N)C3CCCC3)cnc12 ZINC001136962927 803663373 /nfs/dbraw/zinc/66/33/73/803663373.db2.gz DUXKLYMWKFIRBT-UHFFFAOYSA-N 1 2 282.391 3.301 20 30 CGEDLO CC(C)(C)c1ccc(-c2noc(C[NH+]3CCC3)n2)c(C#N)c1 ZINC001212095595 814975378 /nfs/dbraw/zinc/97/53/78/814975378.db2.gz PIRCOHXZIPDHMI-UHFFFAOYSA-N 1 2 296.374 3.111 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611390 803978459 /nfs/dbraw/zinc/97/84/59/803978459.db2.gz NBHYUJQKVKKOND-HNNXBMFYSA-N 1 2 269.392 3.022 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611390 803978467 /nfs/dbraw/zinc/97/84/67/803978467.db2.gz NBHYUJQKVKKOND-HNNXBMFYSA-N 1 2 269.392 3.022 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001139691961 804256843 /nfs/dbraw/zinc/25/68/43/804256843.db2.gz LGNMDNPCWAASLL-CYBMUJFWSA-N 1 2 282.721 3.443 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001139691961 804256848 /nfs/dbraw/zinc/25/68/48/804256848.db2.gz LGNMDNPCWAASLL-CYBMUJFWSA-N 1 2 282.721 3.443 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1F ZINC001140890637 804543394 /nfs/dbraw/zinc/54/33/94/804543394.db2.gz KFWDOWWLGRCCMP-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCCC12CC2 ZINC001141894551 804677882 /nfs/dbraw/zinc/67/78/82/804677882.db2.gz NEVDFIZXQCKZGB-UHFFFAOYSA-N 1 2 291.192 3.449 20 30 CGEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCCC12CC2 ZINC001141894551 804677887 /nfs/dbraw/zinc/67/78/87/804677887.db2.gz NEVDFIZXQCKZGB-UHFFFAOYSA-N 1 2 291.192 3.449 20 30 CGEDLO CSc1nc(C[N@H+](C)Cc2ccc(C)nc2)ccc1C#N ZINC001141945912 804682474 /nfs/dbraw/zinc/68/24/74/804682474.db2.gz RFEOPDHZZACLPA-UHFFFAOYSA-N 1 2 298.415 3.011 20 30 CGEDLO CSc1nc(C[N@@H+](C)Cc2ccc(C)nc2)ccc1C#N ZINC001141945912 804682477 /nfs/dbraw/zinc/68/24/77/804682477.db2.gz RFEOPDHZZACLPA-UHFFFAOYSA-N 1 2 298.415 3.011 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001248748757 804982909 /nfs/dbraw/zinc/98/29/09/804982909.db2.gz VWRYJEBWPOXDJS-CQSZACIVSA-N 1 2 282.309 3.300 20 30 CGEDLO CCc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001248748757 804982912 /nfs/dbraw/zinc/98/29/12/804982912.db2.gz VWRYJEBWPOXDJS-CQSZACIVSA-N 1 2 282.309 3.300 20 30 CGEDLO N#CCC1C[NH+](Cc2ccnc(OCc3ccccc3)c2)C1 ZINC001249961976 805328676 /nfs/dbraw/zinc/32/86/76/805328676.db2.gz GULQTJNVZLLIQZ-UHFFFAOYSA-N 1 2 293.370 3.006 20 30 CGEDLO CCSc1cc[nH+]c(N2CCC[C@@H](CC#N)C2)c1 ZINC001166742752 807091173 /nfs/dbraw/zinc/09/11/73/807091173.db2.gz RRRYBIJOYGTJCU-LBPRGKRZSA-N 1 2 261.394 3.324 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCCCC)C(=O)OCC ZINC001257503111 807183848 /nfs/dbraw/zinc/18/38/48/807183848.db2.gz LMBSPRILQKISBD-UMVBOHGHSA-N 1 2 253.386 3.053 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC001167548507 807204378 /nfs/dbraw/zinc/20/43/78/807204378.db2.gz AAHUANVTWWPZJY-DOTOQJQBSA-N 1 2 257.377 3.170 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC001167548507 807204382 /nfs/dbraw/zinc/20/43/82/807204382.db2.gz AAHUANVTWWPZJY-DOTOQJQBSA-N 1 2 257.377 3.170 20 30 CGEDLO Cc1ccnc(C#N)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695735 815105302 /nfs/dbraw/zinc/10/53/02/815105302.db2.gz QYCXPNDWZAXEGY-UHFFFAOYSA-N 1 2 289.342 3.250 20 30 CGEDLO CC[C@H](C)Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167999902 807296393 /nfs/dbraw/zinc/29/63/93/807296393.db2.gz OBRAMBPNYUEJCC-WCQKILDNSA-N 1 2 295.452 3.482 20 30 CGEDLO CC1(C)CCC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001258284829 807395876 /nfs/dbraw/zinc/39/58/76/807395876.db2.gz IMMMQPHWOINEEL-STQMWFEESA-N 1 2 265.422 3.229 20 30 CGEDLO CC1(C)CCC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001258284829 807395884 /nfs/dbraw/zinc/39/58/84/807395884.db2.gz IMMMQPHWOINEEL-STQMWFEESA-N 1 2 265.422 3.229 20 30 CGEDLO COc1ccc(CC[C@@H](C)[N@@H+]2CCCC[C@@H]2C#N)cc1 ZINC001258407629 807443059 /nfs/dbraw/zinc/44/30/59/807443059.db2.gz GIFXLNJKFUCFLT-GDBMZVCRSA-N 1 2 272.392 3.394 20 30 CGEDLO COc1ccc(CC[C@@H](C)[N@H+]2CCCC[C@@H]2C#N)cc1 ZINC001258407629 807443064 /nfs/dbraw/zinc/44/30/64/807443064.db2.gz GIFXLNJKFUCFLT-GDBMZVCRSA-N 1 2 272.392 3.394 20 30 CGEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(CCC)CC1)C(=O)OCC ZINC001258529598 807485628 /nfs/dbraw/zinc/48/56/28/807485628.db2.gz SLYNHAXUOBGUDL-INTUILBWSA-N 1 2 279.424 3.443 20 30 CGEDLO N#CCc1c(F)cccc1NCCc1cn2ccccc2[nH+]1 ZINC001169010039 807552237 /nfs/dbraw/zinc/55/22/37/807552237.db2.gz YRECBNFIWJXQAG-UHFFFAOYSA-N 1 2 294.333 3.194 20 30 CGEDLO CCOc1ccccc1OCCNc1[nH+]cccc1CC#N ZINC001169786649 807709317 /nfs/dbraw/zinc/70/93/17/807709317.db2.gz JQOBPGARASNLPR-UHFFFAOYSA-N 1 2 297.358 3.037 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCCC(C)C)C(=O)OCC ZINC001170064542 807744755 /nfs/dbraw/zinc/74/47/55/807744755.db2.gz QHZMIKQXAPJBAB-IIAWOOMASA-N 1 2 267.413 3.299 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccncc2C#N)c(C)o1 ZINC001261456920 807747460 /nfs/dbraw/zinc/74/74/60/807747460.db2.gz QCZZYXVQTTZXKJ-LLVKDONJSA-N 1 2 255.321 3.014 20 30 CGEDLO CC(C)(S)CNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001170308892 807824924 /nfs/dbraw/zinc/82/49/24/807824924.db2.gz HRPUKODZMVNXKH-UHFFFAOYSA-N 1 2 265.357 3.132 20 30 CGEDLO Cc1cc(NCC#Cc2ccccc2)cc(OC(F)F)[nH+]1 ZINC001170430023 807841576 /nfs/dbraw/zinc/84/15/76/807841576.db2.gz WTBZDBXLCRMHPX-UHFFFAOYSA-N 1 2 288.297 3.455 20 30 CGEDLO Cc1cn2cccc(NC3=CC[C@@H](C#N)CC3)c2[nH+]1 ZINC001212857005 815161290 /nfs/dbraw/zinc/16/12/90/815161290.db2.gz YLPCOGWDIDRZNR-GFCCVEGCSA-N 1 2 252.321 3.262 20 30 CGEDLO C=C(CC(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001263907170 808018794 /nfs/dbraw/zinc/01/87/94/808018794.db2.gz NKYWTFKEDOZONS-KRWDZBQOSA-N 1 2 297.402 3.343 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC[C@@H]1C#N)C2 ZINC001171571214 808100693 /nfs/dbraw/zinc/10/06/93/808100693.db2.gz VIRIZGVAWZVEOL-HZPDHXFCSA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([N@H+]1CCCC[C@@H]1C#N)C2 ZINC001171571214 808100700 /nfs/dbraw/zinc/10/07/00/808100700.db2.gz VIRIZGVAWZVEOL-HZPDHXFCSA-N 1 2 254.377 3.230 20 30 CGEDLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@@H]1C ZINC001172374952 808270143 /nfs/dbraw/zinc/27/01/43/808270143.db2.gz QMTIAUORGOZJQV-UVLXDEKHSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@@H]1C ZINC001172374952 808270151 /nfs/dbraw/zinc/27/01/51/808270151.db2.gz QMTIAUORGOZJQV-UVLXDEKHSA-N 1 2 265.422 3.085 20 30 CGEDLO C#Cc1cc(Nc2c3cc[nH]c3c(F)cc2C)cc[nH+]1 ZINC001212971732 815192550 /nfs/dbraw/zinc/19/25/50/815192550.db2.gz IAHUCDQXHQRDAK-UHFFFAOYSA-N 1 2 265.291 3.157 20 30 CGEDLO CCCCCCCC[C@@H](CC)[NH+]1CC(S(C)(=O)=O)C1 ZINC001172504130 808360063 /nfs/dbraw/zinc/36/00/63/808360063.db2.gz DBXXICSRISOUMS-CQSZACIVSA-N 1 2 289.485 3.244 20 30 CGEDLO C=C(Cl)C[N@@H+](CCNC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001267336676 808416818 /nfs/dbraw/zinc/41/68/18/808416818.db2.gz WDWPWMLJYTYJIK-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](CCNC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001267336676 808416820 /nfs/dbraw/zinc/41/68/20/808416820.db2.gz WDWPWMLJYTYJIK-CYBMUJFWSA-N 1 2 298.858 3.146 20 30 CGEDLO N#CC1([NH2+]C2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC001172819572 808444472 /nfs/dbraw/zinc/44/44/72/808444472.db2.gz CIGJQNQYBUUPTG-UHFFFAOYSA-N 1 2 298.430 3.450 20 30 CGEDLO C=CCC1(C(=O)NC2C[NH+]([C@H](C)c3ccccc3)C2)CCC1 ZINC001267658497 808466284 /nfs/dbraw/zinc/46/62/84/808466284.db2.gz HDAWEHIEPBGQLJ-OAHLLOKOSA-N 1 2 298.430 3.294 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1occc1C(C)C ZINC001268742174 808619347 /nfs/dbraw/zinc/61/93/47/808619347.db2.gz DTRMVLBXKNKHDB-LBPRGKRZSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1occc1C(C)C ZINC001268742174 808619352 /nfs/dbraw/zinc/61/93/52/808619352.db2.gz DTRMVLBXKNKHDB-LBPRGKRZSA-N 1 2 298.814 3.206 20 30 CGEDLO CC(C)n1c[nH+]c2cc(Nc3cncc(C#N)n3)ccc21 ZINC001174381689 808985765 /nfs/dbraw/zinc/98/57/65/808985765.db2.gz OJCITLKZMBVACY-UHFFFAOYSA-N 1 2 278.319 3.022 20 30 CGEDLO C=CC(C)(C)C(=O)N(C)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC001277637578 809086425 /nfs/dbraw/zinc/08/64/25/809086425.db2.gz ZECFJYWMRLAJHY-FMIVXFBMSA-N 1 2 298.430 3.055 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001282410951 809246546 /nfs/dbraw/zinc/24/65/46/809246546.db2.gz GOUODNLVGJEAMH-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001282410951 809246550 /nfs/dbraw/zinc/24/65/50/809246550.db2.gz GOUODNLVGJEAMH-CABCVRRESA-N 1 2 298.858 3.312 20 30 CGEDLO CCOc1ccc(C)cc1[NH+]=C(NO)c1ccccc1N ZINC001175123393 809280883 /nfs/dbraw/zinc/28/08/83/809280883.db2.gz AOBJRRHSAUQRQK-UHFFFAOYSA-N 1 2 285.347 3.033 20 30 CGEDLO C=CCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC001175173435 809298772 /nfs/dbraw/zinc/29/87/72/809298772.db2.gz IECLLYDTVAZFHN-KRWDZBQOSA-N 1 2 287.403 3.249 20 30 CGEDLO CC(C)c1cccc(Nc2ccc(N)c(C#N)c2)[nH+]1 ZINC001213429776 815281067 /nfs/dbraw/zinc/28/10/67/815281067.db2.gz XPCYRIYBFDXPMB-UHFFFAOYSA-N 1 2 252.321 3.402 20 30 CGEDLO C#Cc1cc(Nc2cccc3ccsc32)cc[nH+]1 ZINC001175376820 809383610 /nfs/dbraw/zinc/38/36/10/809383610.db2.gz CMNXDMGPVYJNLA-UHFFFAOYSA-N 1 2 250.326 3.443 20 30 CGEDLO COc1cc(Nc2c[nH+]cc(C)c2C)ccc1C#N ZINC001213532514 815301702 /nfs/dbraw/zinc/30/17/02/815301702.db2.gz MIZAMBUZQAOWLM-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cnc(Cl)c(F)c1 ZINC001176555022 809717420 /nfs/dbraw/zinc/71/74/20/809717420.db2.gz IDFBMDWIIUASSL-UHFFFAOYSA-N 1 2 295.770 3.439 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cnc(Cl)c(F)c1 ZINC001176555022 809717423 /nfs/dbraw/zinc/71/74/23/809717423.db2.gz IDFBMDWIIUASSL-UHFFFAOYSA-N 1 2 295.770 3.439 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1cccc(C)c1)C(=O)OC ZINC001183326942 810145105 /nfs/dbraw/zinc/14/51/05/810145105.db2.gz ZHYOHFMOMJBRCG-HOCLYGCPSA-N 1 2 275.392 3.023 20 30 CGEDLO C#Cc1cc(Nc2cc(F)c(Cl)cc2F)cc[nH+]1 ZINC001213935201 815347805 /nfs/dbraw/zinc/34/78/05/815347805.db2.gz RARSTOHKYBVTHQ-UHFFFAOYSA-N 1 2 264.662 3.160 20 30 CGEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1C(C)C ZINC001191123868 810679971 /nfs/dbraw/zinc/67/99/71/810679971.db2.gz XCAGUZJEOJFMKS-UHFFFAOYSA-N 1 2 280.416 3.234 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC001192955823 810834306 /nfs/dbraw/zinc/83/43/06/810834306.db2.gz KQQVBNPBJQFSRP-MRXNPFEDSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC001192955823 810834312 /nfs/dbraw/zinc/83/43/12/810834312.db2.gz KQQVBNPBJQFSRP-MRXNPFEDSA-N 1 2 291.391 3.023 20 30 CGEDLO Cc1cn2cccc(Nc3cc(C#N)ccc3F)c2[nH+]1 ZINC001214592776 815427877 /nfs/dbraw/zinc/42/78/77/815427877.db2.gz MEOCVMMAKGHYRN-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@H](C)CCC)CC1 ZINC001195210977 811226515 /nfs/dbraw/zinc/22/65/15/811226515.db2.gz QQCXVMPWGPPGCC-CYBMUJFWSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@H](C)CCC)CC1 ZINC001195210977 811226522 /nfs/dbraw/zinc/22/65/22/811226522.db2.gz QQCXVMPWGPPGCC-CYBMUJFWSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001195716940 811281655 /nfs/dbraw/zinc/28/16/55/811281655.db2.gz JBUASVMXUPFJKO-ZDUSSCGKSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001195716940 811281660 /nfs/dbraw/zinc/28/16/60/811281660.db2.gz JBUASVMXUPFJKO-ZDUSSCGKSA-N 1 2 286.847 3.100 20 30 CGEDLO COc1ccc(C#N)cc1Nc1ccccc1-n1cc[nH+]c1 ZINC001201585396 811914405 /nfs/dbraw/zinc/91/44/05/811914405.db2.gz MLTPCNRYXNEYEB-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO N#Cc1ccc(C=CNc2ccn3cc[nH+]c3c2)cc1 ZINC001203301658 812302458 /nfs/dbraw/zinc/30/24/58/812302458.db2.gz DPNITHZUVKHBTJ-FNORWQNLSA-N 1 2 260.300 3.289 20 30 CGEDLO Cc1ccccc1C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001203712418 812437103 /nfs/dbraw/zinc/43/71/03/812437103.db2.gz ICBBCAWMCYBMSJ-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO CCCC#Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001204701280 812712362 /nfs/dbraw/zinc/71/23/62/812712362.db2.gz QJHKZEJAYZYOPI-UHFFFAOYSA-N 1 2 278.315 3.074 20 30 CGEDLO CC(=O)c1ccc(Nc2ccn3cc[nH+]c3c2)c(C#N)c1 ZINC001204990913 812811399 /nfs/dbraw/zinc/81/13/99/812811399.db2.gz IXEFSAFIRAVFST-UHFFFAOYSA-N 1 2 276.299 3.152 20 30 CGEDLO Cc1cc(C#N)c(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204996928 812815638 /nfs/dbraw/zinc/81/56/38/812815638.db2.gz BDFXUFNSYYTJBC-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO N#Cc1c(F)c(F)cc(Nc2ccn3cc[nH+]c3c2)c1F ZINC001205006196 812821312 /nfs/dbraw/zinc/82/13/12/812821312.db2.gz UYIVWMIGSUPZPD-UHFFFAOYSA-N 1 2 288.232 3.367 20 30 CGEDLO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCCC[C@H]1C#N ZINC001207678550 813634102 /nfs/dbraw/zinc/63/41/02/813634102.db2.gz NXGWJYDZZSHBLR-CABCVRRESA-N 1 2 266.429 3.332 20 30 CGEDLO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCCC[C@H]1C#N ZINC001207678550 813634104 /nfs/dbraw/zinc/63/41/04/813634104.db2.gz NXGWJYDZZSHBLR-CABCVRRESA-N 1 2 266.429 3.332 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC001208177722 813728360 /nfs/dbraw/zinc/72/83/60/813728360.db2.gz XPGNLHCJLWGUML-QZTJIDSGSA-N 1 2 274.452 3.459 20 30 CGEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC001208177722 813728363 /nfs/dbraw/zinc/72/83/63/813728363.db2.gz XPGNLHCJLWGUML-QZTJIDSGSA-N 1 2 274.452 3.459 20 30 CGEDLO Cc1cn2cccc(NC3=CC(=O)CC(C)(C)C3)c2[nH+]1 ZINC001210149209 814311457 /nfs/dbraw/zinc/31/14/57/814311457.db2.gz AVGYOWYADWWXEB-UHFFFAOYSA-N 1 2 269.348 3.328 20 30 CGEDLO C=CCOC(=O)c1ccccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210289389 814385356 /nfs/dbraw/zinc/38/53/56/814385356.db2.gz JCMPKLOXSOTZBX-UHFFFAOYSA-N 1 2 283.331 3.059 20 30 CGEDLO CCCc1cc[nH+]c(Nc2ccc(O)c(C#N)c2)c1 ZINC001210529321 814510939 /nfs/dbraw/zinc/51/09/39/814510939.db2.gz FFRFFTWFKPYDLZ-UHFFFAOYSA-N 1 2 253.305 3.355 20 30 CGEDLO C=C(C)CCNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001218624736 816249195 /nfs/dbraw/zinc/24/91/95/816249195.db2.gz GZZUYLYOVZNDMQ-UHFFFAOYSA-N 1 2 298.390 3.389 20 30 CGEDLO Cc1cc(CO[C@H](C)C#C[Si](C)(C)C)cc(C)[nH+]1 ZINC001223423360 816627191 /nfs/dbraw/zinc/62/71/91/816627191.db2.gz BYLCTCHVFYXCGV-CQSZACIVSA-N 1 2 261.441 3.484 20 30 CGEDLO C=C[C@H](CC(=O)OC(C)(C)C)Oc1c(C)cc[nH+]c1C ZINC001227264303 817612828 /nfs/dbraw/zinc/61/28/28/817612828.db2.gz LGDYHQWMVVQDPH-CYBMUJFWSA-N 1 2 277.364 3.364 20 30 CGEDLO COc1cc2c(cc1O[C@@H](C#N)c1ccccc1)C=[NH+]CC2 ZINC001228086788 817807380 /nfs/dbraw/zinc/80/73/80/817807380.db2.gz BDJRHKUFENPCGR-SFHVURJKSA-N 1 2 292.338 3.314 20 30 CGEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC001232674676 818417697 /nfs/dbraw/zinc/41/76/97/818417697.db2.gz CLQMOXFYYYTHKB-UHFFFAOYSA-N 1 2 270.376 3.420 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001232903435 818470216 /nfs/dbraw/zinc/47/02/16/818470216.db2.gz KWMQGHBNYKWRKF-GOSISDBHSA-N 1 2 277.371 3.484 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001232903435 818470218 /nfs/dbraw/zinc/47/02/18/818470218.db2.gz KWMQGHBNYKWRKF-GOSISDBHSA-N 1 2 277.371 3.484 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)cc1C#N)CC2 ZINC001232962215 818484668 /nfs/dbraw/zinc/48/46/68/818484668.db2.gz LBFNBIBWATYSSR-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)cc1C#N)CC2 ZINC001232962215 818484673 /nfs/dbraw/zinc/48/46/73/818484673.db2.gz LBFNBIBWATYSSR-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)c(C#N)c1 ZINC001232966763 818485363 /nfs/dbraw/zinc/48/53/63/818485363.db2.gz VAXOELMEKJXDMS-UHFFFAOYSA-N 1 2 278.355 3.261 20 30 CGEDLO Cc1ccc(C[N@H+]2CCOc3ccccc3C2)c(C#N)c1 ZINC001232966763 818485366 /nfs/dbraw/zinc/48/53/66/818485366.db2.gz VAXOELMEKJXDMS-UHFFFAOYSA-N 1 2 278.355 3.261 20 30 CGEDLO COc1ccc(C2=CC[N@H+](Cc3[nH]ccc3C#N)CC2)cc1 ZINC001233048717 818510737 /nfs/dbraw/zinc/51/07/37/818510737.db2.gz KOGUVKDKGCPIMW-UHFFFAOYSA-N 1 2 293.370 3.184 20 30 CGEDLO COc1ccc(C2=CC[N@@H+](Cc3[nH]ccc3C#N)CC2)cc1 ZINC001233048717 818510744 /nfs/dbraw/zinc/51/07/44/818510744.db2.gz KOGUVKDKGCPIMW-UHFFFAOYSA-N 1 2 293.370 3.184 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233382965 818605007 /nfs/dbraw/zinc/60/50/07/818605007.db2.gz QFAUKJTXPJKTMM-UHFFFAOYSA-N 1 2 291.354 3.180 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233382965 818605011 /nfs/dbraw/zinc/60/50/11/818605011.db2.gz QFAUKJTXPJKTMM-UHFFFAOYSA-N 1 2 291.354 3.180 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Br)c(C)nc1Cl ZINC001233467701 818625698 /nfs/dbraw/zinc/62/56/98/818625698.db2.gz PJSHEUJMDIVJLS-UHFFFAOYSA-N 1 2 289.604 3.424 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Br)c(C)nc1Cl ZINC001233467701 818625701 /nfs/dbraw/zinc/62/57/01/818625701.db2.gz PJSHEUJMDIVJLS-UHFFFAOYSA-N 1 2 289.604 3.424 20 30 CGEDLO CC[NH+]1CC(Oc2ccccc2C=NNc2ccccc2)C1 ZINC001234080274 818774315 /nfs/dbraw/zinc/77/43/15/818774315.db2.gz POTVZAZAKFZIFL-UHFFFAOYSA-N 1 2 295.386 3.216 20 30 CGEDLO C#C[C@H]1CCC[C@@H]1Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588335 818887627 /nfs/dbraw/zinc/88/76/27/818887627.db2.gz MAYLJDIUEDJRFH-WFASDCNBSA-N 1 2 257.333 3.229 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1F ZINC001234975408 818968442 /nfs/dbraw/zinc/96/84/42/818968442.db2.gz SYCZBNPRXZNRMV-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(Cl)cc(Br)c1F ZINC001234975408 818968447 /nfs/dbraw/zinc/96/84/47/818968447.db2.gz SYCZBNPRXZNRMV-UHFFFAOYSA-N 1 2 290.563 3.307 20 30 CGEDLO N#CCc1ccccc1C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC001235512847 819113035 /nfs/dbraw/zinc/11/30/35/819113035.db2.gz WGZCTHSGAOCRGW-LJQANCHMSA-N 1 2 292.382 3.326 20 30 CGEDLO N#CCc1ccccc1C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001235512847 819113040 /nfs/dbraw/zinc/11/30/40/819113040.db2.gz WGZCTHSGAOCRGW-LJQANCHMSA-N 1 2 292.382 3.326 20 30 CGEDLO N#CC1(c2ccc(-c3c[nH+]c4c(c3)CCCN4)cc2)CC1 ZINC001243424999 823401302 /nfs/dbraw/zinc/40/13/02/823401302.db2.gz ZPKYVCJQWXRIBG-UHFFFAOYSA-N 1 2 275.355 3.305 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001237103876 819667192 /nfs/dbraw/zinc/66/71/92/819667192.db2.gz NNWSKHUBMOQLNE-CQSZACIVSA-N 1 2 258.365 3.209 20 30 CGEDLO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001237103876 819667198 /nfs/dbraw/zinc/66/71/98/819667198.db2.gz NNWSKHUBMOQLNE-CQSZACIVSA-N 1 2 258.365 3.209 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001237748937 819836510 /nfs/dbraw/zinc/83/65/10/819836510.db2.gz ODQDQYJFPYZONS-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001237748937 819836512 /nfs/dbraw/zinc/83/65/12/819836512.db2.gz ODQDQYJFPYZONS-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001238662472 820073146 /nfs/dbraw/zinc/07/31/46/820073146.db2.gz YUGZLQSAHISHTJ-UHFFFAOYSA-N 1 2 294.345 3.489 20 30 CGEDLO CCc1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)ccc1C#N ZINC001238773396 820114383 /nfs/dbraw/zinc/11/43/83/820114383.db2.gz XXYWQYSGSTYQSS-QGZVFWFLSA-N 1 2 292.386 3.248 20 30 CGEDLO CCc1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)ccc1C#N ZINC001238773396 820114386 /nfs/dbraw/zinc/11/43/86/820114386.db2.gz XXYWQYSGSTYQSS-QGZVFWFLSA-N 1 2 292.386 3.248 20 30 CGEDLO N#CCCOc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001240511316 821106434 /nfs/dbraw/zinc/10/64/34/821106434.db2.gz DJGAUZPSAHDEKT-UHFFFAOYSA-N 1 2 263.300 3.294 20 30 CGEDLO Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc(C#N)nc1 ZINC001241428259 821824789 /nfs/dbraw/zinc/82/47/89/821824789.db2.gz LAOBZJZDTJNVTD-UHFFFAOYSA-N 1 2 278.359 3.314 20 30 CGEDLO Cc1cc(-c2ccc3c(c2)CC/C3=N/O)cc(C)[nH+]1 ZINC001241994911 822262871 /nfs/dbraw/zinc/26/28/71/822262871.db2.gz MNLNVZCWNUAEQZ-VLGSPTGOSA-N 1 2 252.317 3.490 20 30 CGEDLO C=CCN(CCOC)c1cc(C)c2ccccc2[nH+]1 ZINC001338928961 936339681 /nfs/dbraw/zinc/33/96/81/936339681.db2.gz OWZHSUQWAITAKI-UHFFFAOYSA-N 1 2 256.349 3.182 20 30 CGEDLO C#CC[N@@H+](Cc1ncc(Cl)cc1Cl)CC1CC1 ZINC001341876612 936453664 /nfs/dbraw/zinc/45/36/64/936453664.db2.gz OCGMTSJKGAKQDI-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C#CC[N@H+](Cc1ncc(Cl)cc1Cl)CC1CC1 ZINC001341876612 936453667 /nfs/dbraw/zinc/45/36/67/936453667.db2.gz OCGMTSJKGAKQDI-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO C=CCCCCCN(C)C(=O)NCc1cc[nH+]c(NC)c1 ZINC001348265571 936915132 /nfs/dbraw/zinc/91/51/32/936915132.db2.gz XQSXVMSSODDTFI-UHFFFAOYSA-N 1 2 290.411 3.011 20 30 CGEDLO Cc1cc(C)c(NC(=O)c2cc(C#N)ccc2C)c(C)[nH+]1 ZINC001351553581 937019717 /nfs/dbraw/zinc/01/97/17/937019717.db2.gz BPJZSZHILWRCLG-UHFFFAOYSA-N 1 2 279.343 3.439 20 30 CGEDLO CC#Cc1cncc(Nc2cccn3cc(C)[nH+]c23)c1 ZINC001211054749 926727986 /nfs/dbraw/zinc/72/79/86/926727986.db2.gz BYMDBCUOTMIOFB-UHFFFAOYSA-N 1 2 262.316 3.153 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001485285051 927839809 /nfs/dbraw/zinc/83/98/09/927839809.db2.gz XUZOFTJXQVBEKE-CYBMUJFWSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001485285051 927839827 /nfs/dbraw/zinc/83/98/27/927839827.db2.gz XUZOFTJXQVBEKE-CYBMUJFWSA-N 1 2 284.831 3.066 20 30 CGEDLO C=CCCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001448923923 937377167 /nfs/dbraw/zinc/37/71/67/937377167.db2.gz OQTMUIBPBRRTKX-GASCZTMLSA-N 1 2 287.407 3.135 20 30 CGEDLO CCc1cn(Cc2ccc(C#N)cc2C(F)(F)F)c[nH+]1 ZINC001459261625 937483600 /nfs/dbraw/zinc/48/36/00/937483600.db2.gz NPAREWRTDBHKMR-UHFFFAOYSA-N 1 2 279.265 3.384 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC001139534905 931953479 /nfs/dbraw/zinc/95/34/79/931953479.db2.gz YGVPHHVMSWXYHB-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2cccc(Br)c2F)C1 ZINC001139534905 931953482 /nfs/dbraw/zinc/95/34/82/931953482.db2.gz YGVPHHVMSWXYHB-NSHDSACASA-N 1 2 296.183 3.433 20 30 CGEDLO CCc1[nH+]ccc(C)c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211329044 932012364 /nfs/dbraw/zinc/01/23/64/932012364.db2.gz SGIFTYODOVBSNY-UHFFFAOYSA-N 1 2 282.303 3.476 20 30 CGEDLO CC(C)[NH+]1CC(Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632805 932601053 /nfs/dbraw/zinc/60/10/53/932601053.db2.gz NKHOBBBQSZILSN-UHFFFAOYSA-N 1 2 272.392 3.327 20 30 CGEDLO Cc1cc(F)c(C#N)c(NCCCNc2cccc[nH+]2)c1 ZINC001306934627 932898958 /nfs/dbraw/zinc/89/89/58/932898958.db2.gz NTHNBNXDICJIPM-UHFFFAOYSA-N 1 2 284.338 3.315 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(=O)OCC ZINC001308916671 933203416 /nfs/dbraw/zinc/20/34/16/933203416.db2.gz CMXDOIDUUFDNTA-CJNGLKHVSA-N 1 2 293.382 3.417 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)C1=CCCCCC1 ZINC001317475325 933206081 /nfs/dbraw/zinc/20/60/81/933206081.db2.gz UVNIPEVZMAHXAS-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)C1=CCCCCC1 ZINC001317475325 933206083 /nfs/dbraw/zinc/20/60/83/933206083.db2.gz UVNIPEVZMAHXAS-UHFFFAOYSA-N 1 2 284.831 3.068 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1F)c1cccc(C#N)c1 ZINC001308939078 933207831 /nfs/dbraw/zinc/20/78/31/933207831.db2.gz SSBWHIWUNHBTOD-SNVBAGLBSA-N 1 2 288.297 3.393 20 30 CGEDLO Cc1cc(C)c(CNC(=O)Nc2cccc(CC#N)c2)c[nH+]1 ZINC001310751804 933261137 /nfs/dbraw/zinc/26/11/37/933261137.db2.gz QXQYZIHXDYTJHO-UHFFFAOYSA-N 1 2 294.358 3.086 20 30 CGEDLO CN(C)c1cccc(Cl)c1C=[NH+]OCc1cccnc1 ZINC001319598144 933899053 /nfs/dbraw/zinc/89/90/53/933899053.db2.gz LCPRJRHOJLLGEM-UHFFFAOYSA-N 1 2 289.766 3.352 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001320280383 934025057 /nfs/dbraw/zinc/02/50/57/934025057.db2.gz SNZMUISVXUJVTI-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC001320280383 934025061 /nfs/dbraw/zinc/02/50/61/934025061.db2.gz SNZMUISVXUJVTI-SNVBAGLBSA-N 1 2 287.190 3.165 20 30 CGEDLO CN1CCC(=[NH+]Nc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001322408308 934295210 /nfs/dbraw/zinc/29/52/10/934295210.db2.gz PLMNFMCOPGHWIJ-UHFFFAOYSA-N 1 2 296.330 3.251 20 30 CGEDLO N#Cc1ccnc(/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC001323546871 934406880 /nfs/dbraw/zinc/40/68/80/934406880.db2.gz XZWMJVDLTBMENR-OWOJBTEDSA-N 1 2 278.340 3.371 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001324625269 934533915 /nfs/dbraw/zinc/53/39/15/934533915.db2.gz LNFSQVFYWMZJKM-DOMZBBRYSA-N 1 2 295.810 3.368 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001324625272 934534335 /nfs/dbraw/zinc/53/43/35/934534335.db2.gz LNFSQVFYWMZJKM-WFASDCNBSA-N 1 2 295.810 3.368 20 30 CGEDLO C=CC[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)C(=O)OCC ZINC001325502254 934915679 /nfs/dbraw/zinc/91/56/79/934915679.db2.gz OXIMWFMNMXGXRJ-UPTPFMHGSA-N 1 2 287.403 3.204 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CCC ZINC001329588947 935231260 /nfs/dbraw/zinc/23/12/60/935231260.db2.gz QBJHRYUEQSDRBC-QWHCGFSZSA-N 1 2 274.836 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CCC ZINC001329588947 935231263 /nfs/dbraw/zinc/23/12/63/935231263.db2.gz QBJHRYUEQSDRBC-QWHCGFSZSA-N 1 2 274.836 3.002 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)C(=O)OCC ZINC001474527699 937864896 /nfs/dbraw/zinc/86/48/96/937864896.db2.gz DAQNMZSUEBUVMI-KKUMJFAQSA-N 1 2 297.439 3.066 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1F ZINC001474701958 937875880 /nfs/dbraw/zinc/87/58/80/937875880.db2.gz LYPUPFFAYZJWFI-UHFFFAOYSA-N 1 2 294.251 3.404 20 30 CGEDLO C=C(C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001478675528 937908952 /nfs/dbraw/zinc/90/89/52/937908952.db2.gz XQHGMKPDALLLTQ-CQSZACIVSA-N 1 2 298.390 3.199 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001493109990 937947270 /nfs/dbraw/zinc/94/72/70/937947270.db2.gz FQNIXBVDRIAWCU-QWHCGFSZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001493109990 937947272 /nfs/dbraw/zinc/94/72/72/937947272.db2.gz FQNIXBVDRIAWCU-QWHCGFSZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001494266797 937954125 /nfs/dbraw/zinc/95/41/25/937954125.db2.gz MLMACBXRJDMZGN-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001494266797 937954126 /nfs/dbraw/zinc/95/41/26/937954126.db2.gz MLMACBXRJDMZGN-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001505959888 937988233 /nfs/dbraw/zinc/98/82/33/937988233.db2.gz ZJWUUUQOYVTOOM-SNVBAGLBSA-N 1 2 298.814 3.007 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001505959888 937988234 /nfs/dbraw/zinc/98/82/34/937988234.db2.gz ZJWUUUQOYVTOOM-SNVBAGLBSA-N 1 2 298.814 3.007 20 30 CGEDLO C=C(CC(C)C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001527462154 938061761 /nfs/dbraw/zinc/06/17/61/938061761.db2.gz URDIETTYNOZWNG-UHFFFAOYSA-N 1 2 269.348 3.413 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC[C@@H](C)C1 ZINC001559976481 938240506 /nfs/dbraw/zinc/24/05/06/938240506.db2.gz VIZCQJBPMSGHIW-CABCVRRESA-N 1 2 279.424 3.090 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCC[C@@H](C)C1 ZINC001559976481 938240507 /nfs/dbraw/zinc/24/05/07/938240507.db2.gz VIZCQJBPMSGHIW-CABCVRRESA-N 1 2 279.424 3.090 20 30 CGEDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC001560235839 938248308 /nfs/dbraw/zinc/24/83/08/938248308.db2.gz XCHBBNLLCRKPLT-INIZCTEOSA-N 1 2 290.382 3.334 20 30 CGEDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC001560235839 938248309 /nfs/dbraw/zinc/24/83/09/938248309.db2.gz XCHBBNLLCRKPLT-INIZCTEOSA-N 1 2 290.382 3.334 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H](OCCCC)C1(C)C)C(=O)OCC ZINC001560808659 938277023 /nfs/dbraw/zinc/27/70/23/938277023.db2.gz MUGATTNBTVQUJY-ZNMIVQPWSA-N 1 2 297.439 3.068 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)/C(C)=C\CC ZINC001566915794 957897104 /nfs/dbraw/zinc/89/71/04/957897104.db2.gz VCWCKFSQVYZWIO-VDBIKXPHSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)/C(C)=C\CC ZINC001566915794 957897107 /nfs/dbraw/zinc/89/71/07/957897107.db2.gz VCWCKFSQVYZWIO-VDBIKXPHSA-N 1 2 284.831 3.066 20 30 CGEDLO CSc1cc[nH+]c(N2CCc3cc(C#N)ccc3C2)c1 ZINC001164484972 958839058 /nfs/dbraw/zinc/83/90/58/958839058.db2.gz SOAHFFPPMYRSDD-UHFFFAOYSA-N 1 2 281.384 3.238 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccoc1CCC ZINC001569146274 961707427 /nfs/dbraw/zinc/70/74/27/961707427.db2.gz BFPWNIDQTWHRAU-LBPRGKRZSA-N 1 2 298.814 3.035 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccoc1CCC ZINC001569146274 961707440 /nfs/dbraw/zinc/70/74/40/961707440.db2.gz BFPWNIDQTWHRAU-LBPRGKRZSA-N 1 2 298.814 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1coc(C)n1)Cc1cccc(C#N)c1 ZINC000590603224 346853661 /nfs/dbraw/zinc/85/36/61/346853661.db2.gz UESGPYHYAALQTB-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1coc(C)n1)Cc1cccc(C#N)c1 ZINC000590603224 346853664 /nfs/dbraw/zinc/85/36/64/346853664.db2.gz UESGPYHYAALQTB-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO COc1cc(C)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590649125 346859013 /nfs/dbraw/zinc/85/90/13/346859013.db2.gz WINWSDXERVLWJL-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO COc1cc(C)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590649125 346859018 /nfs/dbraw/zinc/85/90/18/346859018.db2.gz WINWSDXERVLWJL-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000651761183 398284582 /nfs/dbraw/zinc/28/45/82/398284582.db2.gz HWESSCDVJVJTSX-VNQPRFMTSA-N 1 2 282.391 3.229 20 30 CGEDLO COc1ccc2[nH+]c(NCC(C)(C)CC#N)ccc2c1 ZINC000591176630 346907268 /nfs/dbraw/zinc/90/72/68/346907268.db2.gz ZNTZHUOBAHQWQN-UHFFFAOYSA-N 1 2 269.348 3.017 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccncc1F ZINC000338358028 214549042 /nfs/dbraw/zinc/54/90/42/214549042.db2.gz QTUHOEDWRZMHOL-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO COc1ccc([C@H](C)[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592055667 346958055 /nfs/dbraw/zinc/95/80/55/346958055.db2.gz OHQWPMSALFLYLK-ZDUSSCGKSA-N 1 2 281.359 3.155 20 30 CGEDLO COc1ccc([C@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592055667 346958058 /nfs/dbraw/zinc/95/80/58/346958058.db2.gz OHQWPMSALFLYLK-ZDUSSCGKSA-N 1 2 281.359 3.155 20 30 CGEDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccncc1C#N)CC2 ZINC000592106969 346963514 /nfs/dbraw/zinc/96/35/14/346963514.db2.gz AIKOFGMCJXFFAN-UHFFFAOYSA-N 1 2 277.371 3.128 20 30 CGEDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccncc1C#N)CC2 ZINC000592106969 346963517 /nfs/dbraw/zinc/96/35/17/346963517.db2.gz AIKOFGMCJXFFAN-UHFFFAOYSA-N 1 2 277.371 3.128 20 30 CGEDLO COc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1C#N ZINC000592986274 347023857 /nfs/dbraw/zinc/02/38/57/347023857.db2.gz GLEOZQCINLYUBM-UHFFFAOYSA-N 1 2 279.343 3.229 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593123937 347042926 /nfs/dbraw/zinc/04/29/26/347042926.db2.gz HVMDVPLOWWFZPJ-AUUYWEPGSA-N 1 2 292.382 3.038 20 30 CGEDLO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593123937 347042928 /nfs/dbraw/zinc/04/29/28/347042928.db2.gz HVMDVPLOWWFZPJ-AUUYWEPGSA-N 1 2 292.382 3.038 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000351597849 219139805 /nfs/dbraw/zinc/13/98/05/219139805.db2.gz UPJRABOMQYYNMH-INIZCTEOSA-N 1 2 290.432 3.401 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000351597849 219139807 /nfs/dbraw/zinc/13/98/07/219139807.db2.gz UPJRABOMQYYNMH-INIZCTEOSA-N 1 2 290.432 3.401 20 30 CGEDLO CCc1cc[nH+]cc1NCc1ccc(C#N)c(C)c1 ZINC000593222479 347053405 /nfs/dbraw/zinc/05/34/05/347053405.db2.gz ITNMEZUHUKRYHK-UHFFFAOYSA-N 1 2 251.333 3.436 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@H](C#N)CC)cc2[nH+]1 ZINC000593424429 347075747 /nfs/dbraw/zinc/07/57/47/347075747.db2.gz GDCYUCHMRGQMRY-NSHDSACASA-N 1 2 284.363 3.394 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1F)Cc1cc(C#N)ccc1F ZINC000030207783 344922133 /nfs/dbraw/zinc/92/21/33/344922133.db2.gz ZTZGRXIYMZHKND-UHFFFAOYSA-N 1 2 297.308 3.340 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1F)Cc1cc(C#N)ccc1F ZINC000030207783 344922135 /nfs/dbraw/zinc/92/21/35/344922135.db2.gz ZTZGRXIYMZHKND-UHFFFAOYSA-N 1 2 297.308 3.340 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Br)cs1 ZINC000042291759 344982127 /nfs/dbraw/zinc/98/21/27/344982127.db2.gz RAQILRSAQFRGEO-QMMMGPOBSA-N 1 2 273.199 3.245 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Br)cs1 ZINC000042291759 344982129 /nfs/dbraw/zinc/98/21/29/344982129.db2.gz RAQILRSAQFRGEO-QMMMGPOBSA-N 1 2 273.199 3.245 20 30 CGEDLO CC[N@@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000081039826 345696760 /nfs/dbraw/zinc/69/67/60/345696760.db2.gz QAMXBBSUQAFPQQ-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO CC[N@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000081039826 345696762 /nfs/dbraw/zinc/69/67/62/345696762.db2.gz QAMXBBSUQAFPQQ-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(C#N)cc2)[nH+]1 ZINC000080947389 345690526 /nfs/dbraw/zinc/69/05/26/345690526.db2.gz VEACXBNLBZJJII-JTQLQIEISA-N 1 2 277.331 3.311 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(Cc2ccccc2C)n1 ZINC000083127504 345724404 /nfs/dbraw/zinc/72/44/04/345724404.db2.gz DRRFMCXOTYASBF-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(Cc2ccccc2C)n1 ZINC000083127504 345724405 /nfs/dbraw/zinc/72/44/05/345724405.db2.gz DRRFMCXOTYASBF-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000093772856 345886928 /nfs/dbraw/zinc/88/69/28/345886928.db2.gz KVMALMGILLOOON-AWEZNQCLSA-N 1 2 291.391 3.023 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000093772856 345886930 /nfs/dbraw/zinc/88/69/30/345886930.db2.gz KVMALMGILLOOON-AWEZNQCLSA-N 1 2 291.391 3.023 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc(F)cc2C#N)c(C)c1 ZINC000401123371 346592174 /nfs/dbraw/zinc/59/21/74/346592174.db2.gz SLPRDCXQFJMFJG-UHFFFAOYSA-N 1 2 269.323 3.364 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccsc1Br ZINC000405235447 346603408 /nfs/dbraw/zinc/60/34/08/346603408.db2.gz ZMXOVYUZVOYMBI-UHFFFAOYSA-N 1 2 273.199 3.150 20 30 CGEDLO N#CCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000588274479 346758111 /nfs/dbraw/zinc/75/81/11/346758111.db2.gz DKQCRBBMQOBYPE-UHFFFAOYSA-N 1 2 282.347 3.285 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000593696337 347104498 /nfs/dbraw/zinc/10/44/98/347104498.db2.gz DDGHWDTVDOZYLO-CYBMUJFWSA-N 1 2 294.420 3.172 20 30 CGEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000593696337 347104500 /nfs/dbraw/zinc/10/45/00/347104500.db2.gz DDGHWDTVDOZYLO-CYBMUJFWSA-N 1 2 294.420 3.172 20 30 CGEDLO Cc1sccc1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593696322 347104604 /nfs/dbraw/zinc/10/46/04/347104604.db2.gz IDEANPCWIVGOTL-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO Cc1sccc1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593696322 347104607 /nfs/dbraw/zinc/10/46/07/347104607.db2.gz IDEANPCWIVGOTL-UHFFFAOYSA-N 1 2 254.358 3.444 20 30 CGEDLO CC[N@H+](CCCNC(=O)CCCCC#N)c1ccccc1 ZINC000593954844 347122656 /nfs/dbraw/zinc/12/26/56/347122656.db2.gz OIMDGPRLHZBDBW-UHFFFAOYSA-N 1 2 287.407 3.103 20 30 CGEDLO CC[N@@H+](CCCNC(=O)CCCCC#N)c1ccccc1 ZINC000593954844 347122657 /nfs/dbraw/zinc/12/26/57/347122657.db2.gz OIMDGPRLHZBDBW-UHFFFAOYSA-N 1 2 287.407 3.103 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1cc(-c2ccc(OC)cc2)no1 ZINC000594011620 347136448 /nfs/dbraw/zinc/13/64/48/347136448.db2.gz DASDDZYAOURJSR-CYBMUJFWSA-N 1 2 285.347 3.132 20 30 CGEDLO N#CCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000593965979 347124802 /nfs/dbraw/zinc/12/48/02/347124802.db2.gz GVTBCSFUXBXSEM-UHFFFAOYSA-N 1 2 286.310 3.034 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cccc(OC3CC3)c2F)c1 ZINC000594735830 347214873 /nfs/dbraw/zinc/21/48/73/347214873.db2.gz VWKLMQDWWGWNCU-UHFFFAOYSA-N 1 2 297.333 3.440 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595348864 347295387 /nfs/dbraw/zinc/29/53/87/347295387.db2.gz WHFWZXABXICAKV-UHFFFAOYSA-N 1 2 282.391 3.392 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595348864 347295391 /nfs/dbraw/zinc/29/53/91/347295391.db2.gz WHFWZXABXICAKV-UHFFFAOYSA-N 1 2 282.391 3.392 20 30 CGEDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000595625393 347329136 /nfs/dbraw/zinc/32/91/36/347329136.db2.gz MGSUHXOCTPZODK-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000595625393 347329138 /nfs/dbraw/zinc/32/91/38/347329138.db2.gz MGSUHXOCTPZODK-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595660741 347334317 /nfs/dbraw/zinc/33/43/17/347334317.db2.gz VSDAIDHGGHEXTM-LBPRGKRZSA-N 1 2 276.336 3.089 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595660741 347334319 /nfs/dbraw/zinc/33/43/19/347334319.db2.gz VSDAIDHGGHEXTM-LBPRGKRZSA-N 1 2 276.336 3.089 20 30 CGEDLO COc1ccccc1CCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595713031 347345864 /nfs/dbraw/zinc/34/58/64/347345864.db2.gz RANKAUNLACYIBE-ZDUSSCGKSA-N 1 2 258.365 3.004 20 30 CGEDLO COc1ccccc1CCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595713031 347345865 /nfs/dbraw/zinc/34/58/65/347345865.db2.gz RANKAUNLACYIBE-ZDUSSCGKSA-N 1 2 258.365 3.004 20 30 CGEDLO C=CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000595766093 347353520 /nfs/dbraw/zinc/35/35/20/347353520.db2.gz RVHKMJWIZIESMD-UHFFFAOYSA-N 1 2 264.325 3.087 20 30 CGEDLO C=CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000595766093 347353523 /nfs/dbraw/zinc/35/35/23/347353523.db2.gz RVHKMJWIZIESMD-UHFFFAOYSA-N 1 2 264.325 3.087 20 30 CGEDLO CC[N@H+](CC[C@H](C)OCc1ccccc1)[C@H](C)C#N ZINC000595819887 347360392 /nfs/dbraw/zinc/36/03/92/347360392.db2.gz GPTROSFJEYWBJE-CABCVRRESA-N 1 2 260.381 3.216 20 30 CGEDLO CC[N@@H+](CC[C@H](C)OCc1ccccc1)[C@H](C)C#N ZINC000595819887 347360395 /nfs/dbraw/zinc/36/03/95/347360395.db2.gz GPTROSFJEYWBJE-CABCVRRESA-N 1 2 260.381 3.216 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595890899 347370583 /nfs/dbraw/zinc/37/05/83/347370583.db2.gz NUSFBJIRTFOWTL-BXUZGUMPSA-N 1 2 298.308 3.100 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595890899 347370586 /nfs/dbraw/zinc/37/05/86/347370586.db2.gz NUSFBJIRTFOWTL-BXUZGUMPSA-N 1 2 298.308 3.100 20 30 CGEDLO Cc1cc(N2CCC(c3ccco3)CC2)c(C#N)c[nH+]1 ZINC000596328771 347419027 /nfs/dbraw/zinc/41/90/27/347419027.db2.gz FBHFPMJSVDMXKU-UHFFFAOYSA-N 1 2 267.332 3.239 20 30 CGEDLO N#C[C@@H]1CCC[C@@H](Nc2c[nH+]cc3c2CCCC3)C1 ZINC000597176048 347544096 /nfs/dbraw/zinc/54/40/96/347544096.db2.gz GODUFJMTBIFFQJ-TZMCWYRMSA-N 1 2 255.365 3.455 20 30 CGEDLO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC)c1cccc(OC)c1 ZINC000597215294 347555779 /nfs/dbraw/zinc/55/57/79/347555779.db2.gz SXWGNZMKYFSSDB-IOASZLSFSA-N 1 2 291.391 3.100 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229430 347557763 /nfs/dbraw/zinc/55/77/63/347557763.db2.gz ACCOKFFVVCLWGD-WDBUWWRISA-N 1 2 285.347 3.234 20 30 CGEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229430 347557765 /nfs/dbraw/zinc/55/77/65/347557765.db2.gz ACCOKFFVVCLWGD-WDBUWWRISA-N 1 2 285.347 3.234 20 30 CGEDLO CC1(C)Cc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc2O1 ZINC000597231491 347560084 /nfs/dbraw/zinc/56/00/84/347560084.db2.gz YLDGNAGCBTZLEA-QGZVFWFLSA-N 1 2 270.376 3.136 20 30 CGEDLO CC1(C)Cc2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc2O1 ZINC000597231491 347560086 /nfs/dbraw/zinc/56/00/86/347560086.db2.gz YLDGNAGCBTZLEA-QGZVFWFLSA-N 1 2 270.376 3.136 20 30 CGEDLO Cc1cc(C)c(CNC(=O)CC2(C#N)CCCCC2)c[nH+]1 ZINC000597750780 347590528 /nfs/dbraw/zinc/59/05/28/347590528.db2.gz LDXJWDCPJDDDEV-UHFFFAOYSA-N 1 2 285.391 3.179 20 30 CGEDLO CC[C@H](C)Oc1cc(C[NH+]2CC(CC#N)C2)ccc1OC ZINC000597194325 347548873 /nfs/dbraw/zinc/54/88/73/347548873.db2.gz RRPRLUIIORLZFB-ZDUSSCGKSA-N 1 2 288.391 3.218 20 30 CGEDLO N#CC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599094112 347716138 /nfs/dbraw/zinc/71/61/38/347716138.db2.gz ZYHJCWMLPKBLFM-UHFFFAOYSA-N 1 2 282.303 3.249 20 30 CGEDLO Cc1nsc(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c1C#N ZINC000599102826 347717464 /nfs/dbraw/zinc/71/74/64/347717464.db2.gz VBJAGQWIOSZOPG-GFCCVEGCSA-N 1 2 284.388 3.021 20 30 CGEDLO CCC(CC)CN(CCC#N)Cc1[nH]c(C)c(C)[nH+]1 ZINC000600117783 347782175 /nfs/dbraw/zinc/78/21/75/347782175.db2.gz OUBMJIWJRIIRQF-UHFFFAOYSA-N 1 2 262.401 3.178 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@@H](Cc1ccc(F)cc1)C(=O)OCC ZINC000600595888 347812587 /nfs/dbraw/zinc/81/25/87/347812587.db2.gz NAIWRTJNZCSNSY-HNNXBMFYSA-N 1 2 293.382 3.102 20 30 CGEDLO CC[C@H](CO)Nc1ccc(-c2ccc(C)cc2C#N)c[nH+]1 ZINC000600778579 347833647 /nfs/dbraw/zinc/83/36/47/347833647.db2.gz YHGFOFPPGUXAES-OAHLLOKOSA-N 1 2 281.359 3.112 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(F)F)nc1)C[C@H](C)C#N ZINC000602448502 347960228 /nfs/dbraw/zinc/96/02/28/347960228.db2.gz VKWSKBVGYATTQS-SNVBAGLBSA-N 1 2 253.296 3.001 20 30 CGEDLO CC[N@H+](Cc1ccc(C(F)F)nc1)C[C@H](C)C#N ZINC000602448502 347960230 /nfs/dbraw/zinc/96/02/30/347960230.db2.gz VKWSKBVGYATTQS-SNVBAGLBSA-N 1 2 253.296 3.001 20 30 CGEDLO Cn1c(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc2ccccc21 ZINC000602611632 347993940 /nfs/dbraw/zinc/99/39/40/347993940.db2.gz YHWUADFIWHTBNI-KRWDZBQOSA-N 1 2 267.376 3.304 20 30 CGEDLO Cn1c(C[N@H+]2CCC[C@@](C)(C#N)C2)cc2ccccc21 ZINC000602611632 347993941 /nfs/dbraw/zinc/99/39/41/347993941.db2.gz YHWUADFIWHTBNI-KRWDZBQOSA-N 1 2 267.376 3.304 20 30 CGEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000602624299 347995919 /nfs/dbraw/zinc/99/59/19/347995919.db2.gz LQMZXEHGPRRYOF-WBMJQRKESA-N 1 2 294.345 3.278 20 30 CGEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000602624299 347995920 /nfs/dbraw/zinc/99/59/20/347995920.db2.gz LQMZXEHGPRRYOF-WBMJQRKESA-N 1 2 294.345 3.278 20 30 CGEDLO Cc1ccc(F)c(C[N@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602631222 347996930 /nfs/dbraw/zinc/99/69/30/347996930.db2.gz FDAFCWVGTJUWSQ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO Cc1ccc(F)c(C[N@@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602631222 347996932 /nfs/dbraw/zinc/99/69/32/347996932.db2.gz FDAFCWVGTJUWSQ-UHFFFAOYSA-N 1 2 269.323 3.033 20 30 CGEDLO C=C(C)C[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)C(=O)OC ZINC000602735172 348021907 /nfs/dbraw/zinc/02/19/07/348021907.db2.gz TWWRPRJNPTYUJS-QGZVFWFLSA-N 1 2 298.386 3.141 20 30 CGEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000602863295 348038285 /nfs/dbraw/zinc/03/82/85/348038285.db2.gz OLURFMAPOMOCAY-HNNXBMFYSA-N 1 2 299.418 3.244 20 30 CGEDLO Cc1cc(C)c(CN2Cc3cccc(C#N)c3C2)c(C)[nH+]1 ZINC000602868454 348038430 /nfs/dbraw/zinc/03/84/30/348038430.db2.gz HUUNCMRTSKRLEL-UHFFFAOYSA-N 1 2 277.371 3.394 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccco1 ZINC000602925629 348044930 /nfs/dbraw/zinc/04/49/30/348044930.db2.gz JSMGRMXJNGWRMI-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccco1 ZINC000602925629 348044933 /nfs/dbraw/zinc/04/49/33/348044933.db2.gz JSMGRMXJNGWRMI-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO C[N@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602974790 348048349 /nfs/dbraw/zinc/04/83/49/348048349.db2.gz UDZBQHILCSGLFA-WCQYABFASA-N 1 2 280.318 3.412 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602974790 348048352 /nfs/dbraw/zinc/04/83/52/348048352.db2.gz UDZBQHILCSGLFA-WCQYABFASA-N 1 2 280.318 3.412 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C#N ZINC000602977374 348049137 /nfs/dbraw/zinc/04/91/37/348049137.db2.gz AJJALBNQNLVQHX-GWCFXTLKSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C#N ZINC000602977374 348049142 /nfs/dbraw/zinc/04/91/42/348049142.db2.gz AJJALBNQNLVQHX-GWCFXTLKSA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602980306 348050377 /nfs/dbraw/zinc/05/03/77/348050377.db2.gz OKTRWJZFQKLANQ-GOEBONIOSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602980306 348050379 /nfs/dbraw/zinc/05/03/79/348050379.db2.gz OKTRWJZFQKLANQ-GOEBONIOSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980621 348051648 /nfs/dbraw/zinc/05/16/48/348051648.db2.gz SJBOPUOHIYAKGH-ZBFHGGJFSA-N 1 2 272.779 3.316 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980621 348051651 /nfs/dbraw/zinc/05/16/51/348051651.db2.gz SJBOPUOHIYAKGH-ZBFHGGJFSA-N 1 2 272.779 3.316 20 30 CGEDLO CC[C@@H](C)Oc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC ZINC000611260897 348431990 /nfs/dbraw/zinc/43/19/90/348431990.db2.gz YRFYIEVVNREUQK-ZIAGYGMSSA-N 1 2 290.407 3.464 20 30 CGEDLO CC[C@@H](C)Oc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC ZINC000611260897 348431995 /nfs/dbraw/zinc/43/19/95/348431995.db2.gz YRFYIEVVNREUQK-ZIAGYGMSSA-N 1 2 290.407 3.464 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1nccc2ccccc21)C1CC1 ZINC000611276087 348434347 /nfs/dbraw/zinc/43/43/47/348434347.db2.gz OKKSCRKODNXNLS-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1nccc2ccccc21)C1CC1 ZINC000611276087 348434349 /nfs/dbraw/zinc/43/43/49/348434349.db2.gz OKKSCRKODNXNLS-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO COc1ccc2[nH+]c(N3CCC(C)(C#N)CC3)ccc2c1 ZINC000611540114 348459240 /nfs/dbraw/zinc/45/92/40/348459240.db2.gz USQQCKIODUPSQV-UHFFFAOYSA-N 1 2 281.359 3.373 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406954 348517279 /nfs/dbraw/zinc/51/72/79/348517279.db2.gz YBGZRKKYYZOCTQ-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406954 348517283 /nfs/dbraw/zinc/51/72/83/348517283.db2.gz YBGZRKKYYZOCTQ-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406391 348517639 /nfs/dbraw/zinc/51/76/39/348517639.db2.gz KWVRUTMGNZMPLK-SFHVURJKSA-N 1 2 295.386 3.369 20 30 CGEDLO COc1nc2ccccc2cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406391 348517640 /nfs/dbraw/zinc/51/76/40/348517640.db2.gz KWVRUTMGNZMPLK-SFHVURJKSA-N 1 2 295.386 3.369 20 30 CGEDLO COc1ccc(C#N)cc1NCc1ccc(C)[nH+]c1C ZINC000358213951 233081998 /nfs/dbraw/zinc/08/19/98/233081998.db2.gz UTZIGTSBGAQHHZ-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000618819834 349157743 /nfs/dbraw/zinc/15/77/43/349157743.db2.gz RCBIUXRDIXLYMW-CQSZACIVSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000618819834 349157745 /nfs/dbraw/zinc/15/77/45/349157745.db2.gz RCBIUXRDIXLYMW-CQSZACIVSA-N 1 2 261.394 3.146 20 30 CGEDLO C=C[C@@H]([NH2+][C@@H](CCC)CCc1ccccc1)C(=O)OC ZINC000619702079 349276272 /nfs/dbraw/zinc/27/62/72/349276272.db2.gz FMTYJVJMXSTZNI-JKSUJKDBSA-N 1 2 275.392 3.105 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000619718845 349277715 /nfs/dbraw/zinc/27/77/15/349277715.db2.gz CIWVVNUBDRMRGM-PBHICJAKSA-N 1 2 298.386 3.075 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000619718845 349277716 /nfs/dbraw/zinc/27/77/16/349277716.db2.gz CIWVVNUBDRMRGM-PBHICJAKSA-N 1 2 298.386 3.075 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000619722343 349278704 /nfs/dbraw/zinc/27/87/04/349278704.db2.gz ONXKVTOGRNYXTQ-HNNXBMFYSA-N 1 2 291.778 3.157 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000619722343 349278708 /nfs/dbraw/zinc/27/87/08/349278708.db2.gz ONXKVTOGRNYXTQ-HNNXBMFYSA-N 1 2 291.778 3.157 20 30 CGEDLO C=C[C@H]([NH2+][C@@H](CCC(C)C)C(C)(C)C)C(=O)OC ZINC000619734739 349280160 /nfs/dbraw/zinc/28/01/60/349280160.db2.gz OYOXZDVBTRPWSO-STQMWFEESA-N 1 2 255.402 3.155 20 30 CGEDLO Cc1cc(N)nc(S[C@@H](C#N)c2ccc(Cl)cc2)[nH+]1 ZINC000619863920 349287389 /nfs/dbraw/zinc/28/73/89/349287389.db2.gz VVUYQOYSOPYKJE-NSHDSACASA-N 1 2 290.779 3.208 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620647623 349403450 /nfs/dbraw/zinc/40/34/50/349403450.db2.gz GADNLIAAOSAMOC-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635770131 351690455 /nfs/dbraw/zinc/69/04/55/351690455.db2.gz KHIHETRITZUXOD-GJZGRUSLSA-N 1 2 277.412 3.331 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635593979 351672628 /nfs/dbraw/zinc/67/26/28/351672628.db2.gz BKXHQJYQPUQRFH-UHFFFAOYSA-N 1 2 285.391 3.461 20 30 CGEDLO C=CCCC(C)(C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636238277 351731146 /nfs/dbraw/zinc/73/11/46/351731146.db2.gz FHGWEYDPWQVGJS-UHFFFAOYSA-N 1 2 271.364 3.117 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1nc[nH+]c(N)c1Cl ZINC000419021246 283193763 /nfs/dbraw/zinc/19/37/63/283193763.db2.gz XZJSDNKLJLSREK-LBPRGKRZSA-N 1 2 299.765 3.073 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1[nH+]cnc(N)c1Cl ZINC000419021246 283193764 /nfs/dbraw/zinc/19/37/64/283193764.db2.gz XZJSDNKLJLSREK-LBPRGKRZSA-N 1 2 299.765 3.073 20 30 CGEDLO Cc1cc(N2CC[C@H](Cc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425227885 236221155 /nfs/dbraw/zinc/22/11/55/236221155.db2.gz JRNRIYVLVRMKOU-MRXNPFEDSA-N 1 2 277.371 3.331 20 30 CGEDLO COCC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccco1 ZINC000428358519 236398618 /nfs/dbraw/zinc/39/86/18/236398618.db2.gz HKAWGHALKYRTEE-OAHLLOKOSA-N 1 2 288.322 3.158 20 30 CGEDLO Cc1cnc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000428430731 236405220 /nfs/dbraw/zinc/40/52/20/236405220.db2.gz ONKYAHKCPBNBSU-JTQLQIEISA-N 1 2 275.352 3.313 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000177743718 189066479 /nfs/dbraw/zinc/06/64/79/189066479.db2.gz YJWCQCKYCCYJGG-HNNXBMFYSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000177743718 189066480 /nfs/dbraw/zinc/06/64/80/189066480.db2.gz YJWCQCKYCCYJGG-HNNXBMFYSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000177745177 189066634 /nfs/dbraw/zinc/06/66/34/189066634.db2.gz NUYMOJDXVAKIFE-HNNXBMFYSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000177745177 189066635 /nfs/dbraw/zinc/06/66/35/189066635.db2.gz NUYMOJDXVAKIFE-HNNXBMFYSA-N 1 2 284.384 3.193 20 30 CGEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000180046368 189234396 /nfs/dbraw/zinc/23/43/96/189234396.db2.gz CVGZMMANVLWVRL-OAHLLOKOSA-N 1 2 288.391 3.014 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)s1 ZINC000181447356 189296895 /nfs/dbraw/zinc/29/68/95/189296895.db2.gz SWMOTSFNWTZQOO-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)s1 ZINC000181447356 189296896 /nfs/dbraw/zinc/29/68/96/189296896.db2.gz SWMOTSFNWTZQOO-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C=CC1CCN(c2cc(N3CCC(C=C)CC3)[nH+]cn2)CC1 ZINC000124356050 370922754 /nfs/dbraw/zinc/92/27/54/370922754.db2.gz ZGOIVWYDLXPHAK-UHFFFAOYSA-N 1 2 298.434 3.281 20 30 CGEDLO CN1CC[N@H+](Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000020027660 368793658 /nfs/dbraw/zinc/79/36/58/368793658.db2.gz HCOYHEVTPZHNQM-LJQANCHMSA-N 1 2 291.398 3.047 20 30 CGEDLO CN1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000020027660 368793661 /nfs/dbraw/zinc/79/36/61/368793661.db2.gz HCOYHEVTPZHNQM-LJQANCHMSA-N 1 2 291.398 3.047 20 30 CGEDLO CC(C)c1nnc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000025790750 368851670 /nfs/dbraw/zinc/85/16/70/368851670.db2.gz IBRPHYBUQMSDAI-GHMZBOCLSA-N 1 2 296.440 3.227 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000042324747 369213567 /nfs/dbraw/zinc/21/35/67/369213567.db2.gz KCBXNNKAKONTCD-JTQLQIEISA-N 1 2 256.271 3.297 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000042324747 369213571 /nfs/dbraw/zinc/21/35/71/369213571.db2.gz KCBXNNKAKONTCD-JTQLQIEISA-N 1 2 256.271 3.297 20 30 CGEDLO N#CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000057875757 369548663 /nfs/dbraw/zinc/54/86/63/369548663.db2.gz RSKWHCVJLXHYGP-UHFFFAOYSA-N 1 2 297.427 3.469 20 30 CGEDLO C#CCC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000276331051 193289895 /nfs/dbraw/zinc/28/98/95/193289895.db2.gz STDMGQIKBSIBDR-UHFFFAOYSA-N 1 2 299.418 3.020 20 30 CGEDLO C[C@@H](SCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000090201462 370057588 /nfs/dbraw/zinc/05/75/88/370057588.db2.gz DOCCNUPBKBHUCC-GFCCVEGCSA-N 1 2 257.362 3.249 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OCC1CC1)C[C@@H](C)C#N ZINC000091983749 370086479 /nfs/dbraw/zinc/08/64/79/370086479.db2.gz OJOMINKBVSAHTD-AWEZNQCLSA-N 1 2 272.392 3.457 20 30 CGEDLO CC[N@H+](Cc1ccccc1OCC1CC1)C[C@@H](C)C#N ZINC000091983749 370086487 /nfs/dbraw/zinc/08/64/87/370086487.db2.gz OJOMINKBVSAHTD-AWEZNQCLSA-N 1 2 272.392 3.457 20 30 CGEDLO CC(C)c1ncc(C[N@H+](CCC#N)CC2CC2)s1 ZINC000093091266 370107984 /nfs/dbraw/zinc/10/79/84/370107984.db2.gz CBONVPHINDBDHI-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1ncc(C[N@@H+](CCC#N)CC2CC2)s1 ZINC000093091266 370107986 /nfs/dbraw/zinc/10/79/86/370107986.db2.gz CBONVPHINDBDHI-UHFFFAOYSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000093101227 370109858 /nfs/dbraw/zinc/10/98/58/370109858.db2.gz MAOHMUKIORZKBT-UHFFFAOYSA-N 1 2 276.428 3.469 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000093101227 370109859 /nfs/dbraw/zinc/10/98/59/370109859.db2.gz MAOHMUKIORZKBT-UHFFFAOYSA-N 1 2 276.428 3.469 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ncccc1C ZINC000093168577 370112366 /nfs/dbraw/zinc/11/23/66/370112366.db2.gz QPHQCTUTJRNNIS-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ncccc1C ZINC000093168577 370112372 /nfs/dbraw/zinc/11/23/72/370112372.db2.gz QPHQCTUTJRNNIS-UHFFFAOYSA-N 1 2 297.358 3.486 20 30 CGEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1SC ZINC000101547111 370290317 /nfs/dbraw/zinc/29/03/17/370290317.db2.gz SCTVORUYBHXFEG-NSHDSACASA-N 1 2 264.394 3.151 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1SC ZINC000101547111 370290323 /nfs/dbraw/zinc/29/03/23/370290323.db2.gz SCTVORUYBHXFEG-NSHDSACASA-N 1 2 264.394 3.151 20 30 CGEDLO C#CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133787183 371278645 /nfs/dbraw/zinc/27/86/45/371278645.db2.gz ULGIXHPRWQXERF-HNNXBMFYSA-N 1 2 256.736 3.047 20 30 CGEDLO C=CCCCCCCCCNC(=O)CCn1cc[nH+]c1 ZINC000288501639 371738959 /nfs/dbraw/zinc/73/89/59/371738959.db2.gz ZHQZRAQHAPYIKA-UHFFFAOYSA-N 1 2 277.412 3.306 20 30 CGEDLO C=CCC[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000288192778 371731387 /nfs/dbraw/zinc/73/13/87/371731387.db2.gz NSUISHQVDOYVPA-HNNXBMFYSA-N 1 2 283.375 3.166 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCCc3occc3C2)c1F ZINC000344239526 217113187 /nfs/dbraw/zinc/11/31/87/217113187.db2.gz RADIHKBHOIBGNK-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCCc3occc3C2)c1F ZINC000344239526 217113189 /nfs/dbraw/zinc/11/31/89/217113189.db2.gz RADIHKBHOIBGNK-UHFFFAOYSA-N 1 2 270.307 3.239 20 30 CGEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160502029 372251785 /nfs/dbraw/zinc/25/17/85/372251785.db2.gz LEKQEVCFTZCURV-MNOVXSKESA-N 1 2 264.369 3.023 20 30 CGEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000160502029 372251791 /nfs/dbraw/zinc/25/17/91/372251791.db2.gz LEKQEVCFTZCURV-MNOVXSKESA-N 1 2 264.369 3.023 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1cc(F)cc2cccnc21 ZINC000428866626 372272843 /nfs/dbraw/zinc/27/28/43/372272843.db2.gz KBCCWMUNEMSGHU-UHFFFAOYSA-N 1 2 269.323 3.276 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1cc(F)cc2cccnc21 ZINC000428866626 372272846 /nfs/dbraw/zinc/27/28/46/372272846.db2.gz KBCCWMUNEMSGHU-UHFFFAOYSA-N 1 2 269.323 3.276 20 30 CGEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877004 372431898 /nfs/dbraw/zinc/43/18/98/372431898.db2.gz DLMZZCRJIBUISX-BXUZGUMPSA-N 1 2 278.783 3.211 20 30 CGEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162877004 372431905 /nfs/dbraw/zinc/43/19/05/372431905.db2.gz DLMZZCRJIBUISX-BXUZGUMPSA-N 1 2 278.783 3.211 20 30 CGEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433320798 372592486 /nfs/dbraw/zinc/59/24/86/372592486.db2.gz VVAJTCGUGWEQJQ-UHFFFAOYSA-N 1 2 260.768 3.173 20 30 CGEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433320798 372592491 /nfs/dbraw/zinc/59/24/91/372592491.db2.gz VVAJTCGUGWEQJQ-UHFFFAOYSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000169280500 372628125 /nfs/dbraw/zinc/62/81/25/372628125.db2.gz GKWFWQHUTOEMCF-JTQLQIEISA-N 1 2 251.399 3.222 20 30 CGEDLO C=CCC[C@@H](C(=O)NCc1[nH+]ccn1CC)c1ccccc1 ZINC000295806185 372918568 /nfs/dbraw/zinc/91/85/68/372918568.db2.gz SFHWVHQNRSGYAR-MRXNPFEDSA-N 1 2 297.402 3.269 20 30 CGEDLO C=C(C)CN1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441363550 373002706 /nfs/dbraw/zinc/00/27/06/373002706.db2.gz JREBHVKKVINSOG-INIZCTEOSA-N 1 2 288.435 3.168 20 30 CGEDLO C=C(C)CN1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441363550 373002711 /nfs/dbraw/zinc/00/27/11/373002711.db2.gz JREBHVKKVINSOG-INIZCTEOSA-N 1 2 288.435 3.168 20 30 CGEDLO C=C[C@@H](CC(=O)N[C@H](CC)c1[nH]cc[nH+]1)c1ccccc1 ZINC000442794236 373084327 /nfs/dbraw/zinc/08/43/27/373084327.db2.gz PTHJDCXHSYNNSW-DZGCQCFKSA-N 1 2 283.375 3.337 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000173845191 373199563 /nfs/dbraw/zinc/19/95/63/373199563.db2.gz PDNQTJZKQSXSLA-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000173845191 373199571 /nfs/dbraw/zinc/19/95/71/373199571.db2.gz PDNQTJZKQSXSLA-UHFFFAOYSA-N 1 2 288.366 3.232 20 30 CGEDLO Cc1[nH+]c2ccccn2c1CN1CCCC(C)(C)[C@@H]1C#N ZINC000444717952 373251029 /nfs/dbraw/zinc/25/10/29/373251029.db2.gz JSBYAQBGKFQBQQ-HNNXBMFYSA-N 1 2 282.391 3.157 20 30 CGEDLO N#Cc1ccc(C[NH2+]C2(c3nccs3)CCCC2)o1 ZINC000174402854 373308581 /nfs/dbraw/zinc/30/85/81/373308581.db2.gz ONUYLPVYCGSPAC-UHFFFAOYSA-N 1 2 273.361 3.167 20 30 CGEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)[C@H](C)O1 ZINC000446068756 373319505 /nfs/dbraw/zinc/31/95/05/373319505.db2.gz JFRXFIITROUGIS-MCIONIFRSA-N 1 2 277.795 3.189 20 30 CGEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)[C@H](C)O1 ZINC000446068756 373319513 /nfs/dbraw/zinc/31/95/13/373319513.db2.gz JFRXFIITROUGIS-MCIONIFRSA-N 1 2 277.795 3.189 20 30 CGEDLO C=CCCCNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000447817303 373498067 /nfs/dbraw/zinc/49/80/67/373498067.db2.gz PRBHWEOXXYIFJU-CYBMUJFWSA-N 1 2 260.385 3.091 20 30 CGEDLO C=CCCCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000447817303 373498078 /nfs/dbraw/zinc/49/80/78/373498078.db2.gz PRBHWEOXXYIFJU-CYBMUJFWSA-N 1 2 260.385 3.091 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177365425 373679292 /nfs/dbraw/zinc/67/92/92/373679292.db2.gz PPRFAJCXMSZFID-LBPRGKRZSA-N 1 2 291.420 3.194 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177365425 373679303 /nfs/dbraw/zinc/67/93/03/373679303.db2.gz PPRFAJCXMSZFID-LBPRGKRZSA-N 1 2 291.420 3.194 20 30 CGEDLO C=CCC[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C(=O)OCC ZINC000449654733 373838099 /nfs/dbraw/zinc/83/80/99/373838099.db2.gz FMCLUMWCQMMCQF-IKGGRYGDSA-N 1 2 287.403 3.278 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CN3CCCc4ccccc43)n2c1 ZINC000179548971 373885846 /nfs/dbraw/zinc/88/58/46/373885846.db2.gz VXCBSSNVJMEXIR-UHFFFAOYSA-N 1 2 288.354 3.159 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180075665 373962988 /nfs/dbraw/zinc/96/29/88/373962988.db2.gz GQYDYYAYSJPNFH-CYBMUJFWSA-N 1 2 288.391 3.376 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180075665 373962997 /nfs/dbraw/zinc/96/29/97/373962997.db2.gz GQYDYYAYSJPNFH-CYBMUJFWSA-N 1 2 288.391 3.376 20 30 CGEDLO N#Cc1ccc(NCc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000302703856 373933725 /nfs/dbraw/zinc/93/37/25/373933725.db2.gz XYLJAEVVPPCWKJ-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#CC1(C[N@@H+](Cc2ccccc2F)C2CC2)CCC1 ZINC000450219103 374003936 /nfs/dbraw/zinc/00/39/36/374003936.db2.gz BWOFXAWUDOIMPV-UHFFFAOYSA-N 1 2 258.340 3.484 20 30 CGEDLO N#CC1(C[N@H+](Cc2ccccc2F)C2CC2)CCC1 ZINC000450219103 374003938 /nfs/dbraw/zinc/00/39/38/374003938.db2.gz BWOFXAWUDOIMPV-UHFFFAOYSA-N 1 2 258.340 3.484 20 30 CGEDLO COc1ccccc1C[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000450266998 374029148 /nfs/dbraw/zinc/02/91/48/374029148.db2.gz AJJAMDJMFHCZRS-UHFFFAOYSA-N 1 2 270.376 3.353 20 30 CGEDLO COc1ccccc1C[N@@H+](CC1(C#N)CCC1)C1CC1 ZINC000450266998 374029155 /nfs/dbraw/zinc/02/91/55/374029155.db2.gz AJJAMDJMFHCZRS-UHFFFAOYSA-N 1 2 270.376 3.353 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181521248 374136343 /nfs/dbraw/zinc/13/63/43/374136343.db2.gz IGEJESAWPPSZTI-IBGZPJMESA-N 1 2 292.382 3.002 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181521248 374136349 /nfs/dbraw/zinc/13/63/49/374136349.db2.gz IGEJESAWPPSZTI-IBGZPJMESA-N 1 2 292.382 3.002 20 30 CGEDLO Cc1cc(C#N)cc(NCc2c[nH+]cn2C(C)C)c1 ZINC000308108165 374160712 /nfs/dbraw/zinc/16/07/12/374160712.db2.gz QLRNGLGMJJXDPM-UHFFFAOYSA-N 1 2 254.337 3.256 20 30 CGEDLO COc1cccc2c1CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000182708709 374317008 /nfs/dbraw/zinc/31/70/08/374317008.db2.gz DOYFAXMBRDVBTA-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1cccc2c1CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000182708709 374317016 /nfs/dbraw/zinc/31/70/16/374317016.db2.gz DOYFAXMBRDVBTA-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO O=C(Nc1ccn2cc[nH+]c2c1)NC1CCC(F)(F)CC1 ZINC000329790383 374430443 /nfs/dbraw/zinc/43/04/43/374430443.db2.gz TUHSVPBAXOTZBB-UHFFFAOYSA-N 1 2 294.305 3.238 20 30 CGEDLO Cc1ccc(COc2ccc(C#N)cc2F)c(C)[nH+]1 ZINC000185388346 374654298 /nfs/dbraw/zinc/65/42/98/374654298.db2.gz RIJVJNBAMRQVHB-UHFFFAOYSA-N 1 2 256.280 3.288 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341896 374671548 /nfs/dbraw/zinc/67/15/48/374671548.db2.gz PBLJINIZVHGYBQ-JQWIXIFHSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@H]([N@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341896 374671554 /nfs/dbraw/zinc/67/15/54/374671554.db2.gz PBLJINIZVHGYBQ-JQWIXIFHSA-N 1 2 262.303 3.015 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)on1 ZINC000334573737 374874333 /nfs/dbraw/zinc/87/43/33/374874333.db2.gz VAJJHSGBTSYRMQ-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)on1 ZINC000334573737 374874338 /nfs/dbraw/zinc/87/43/38/374874338.db2.gz VAJJHSGBTSYRMQ-HNNXBMFYSA-N 1 2 285.322 3.331 20 30 CGEDLO C=CCCN(C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000466977121 374970573 /nfs/dbraw/zinc/97/05/73/374970573.db2.gz ZZBZUCLTQPLQFQ-UHFFFAOYSA-N 1 2 289.423 3.121 20 30 CGEDLO C=CCCN(C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000466977121 374970585 /nfs/dbraw/zinc/97/05/85/374970585.db2.gz ZZBZUCLTQPLQFQ-UHFFFAOYSA-N 1 2 289.423 3.121 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C2CC2)O1 ZINC000470921614 375000965 /nfs/dbraw/zinc/00/09/65/375000965.db2.gz ZRZLVXYIZXSARD-SUMWQHHRSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C2CC2)O1 ZINC000470921614 375000970 /nfs/dbraw/zinc/00/09/70/375000970.db2.gz ZRZLVXYIZXSARD-SUMWQHHRSA-N 1 2 289.806 3.191 20 30 CGEDLO CC1(C#N)CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000335046682 375089303 /nfs/dbraw/zinc/08/93/03/375089303.db2.gz HTOYAYHLQJRYDJ-UHFFFAOYSA-N 1 2 261.394 3.146 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cscn1 ZINC000187661982 375066203 /nfs/dbraw/zinc/06/62/03/375066203.db2.gz FSINIFJJBCAMSQ-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cscn1 ZINC000187661982 375066205 /nfs/dbraw/zinc/06/62/05/375066205.db2.gz FSINIFJJBCAMSQ-LLVKDONJSA-N 1 2 257.362 3.208 20 30 CGEDLO C=CCOc1cccc(CNc2[nH]c3cc(F)ccc3[nH+]2)c1 ZINC000485968402 375194636 /nfs/dbraw/zinc/19/46/36/375194636.db2.gz SIPCAZWUHFTBPV-UHFFFAOYSA-N 1 2 297.333 3.301 20 30 CGEDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C#N)cc1F)CCC2 ZINC000335810995 375450500 /nfs/dbraw/zinc/45/05/00/375450500.db2.gz DUOKLKSISXCPFK-ZDUSSCGKSA-N 1 2 284.338 3.192 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)c(Cl)c1 ZINC000335866548 375496391 /nfs/dbraw/zinc/49/63/91/375496391.db2.gz PZCJOTSSTCPJDF-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000336023170 375627337 /nfs/dbraw/zinc/62/73/37/375627337.db2.gz JDVHTBXNNUKFFD-LBPRGKRZSA-N 1 2 294.358 3.453 20 30 CGEDLO C[C@@]1(F)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000501419310 375639146 /nfs/dbraw/zinc/63/91/46/375639146.db2.gz NWZVKEBFXLRMPB-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO C[C@@]1(F)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000501419310 375639156 /nfs/dbraw/zinc/63/91/56/375639156.db2.gz NWZVKEBFXLRMPB-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)cc1F ZINC000191900797 375675266 /nfs/dbraw/zinc/67/52/66/375675266.db2.gz SWECNVDPYVIMDP-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1F ZINC000191900797 375675273 /nfs/dbraw/zinc/67/52/73/375675273.db2.gz SWECNVDPYVIMDP-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000191960716 375683468 /nfs/dbraw/zinc/68/34/68/375683468.db2.gz VVXRQPTYGJKYRA-LJQANCHMSA-N 1 2 295.382 3.312 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000191960716 375683474 /nfs/dbraw/zinc/68/34/74/375683474.db2.gz VVXRQPTYGJKYRA-LJQANCHMSA-N 1 2 295.382 3.312 20 30 CGEDLO Cc1cnc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000336856161 376012335 /nfs/dbraw/zinc/01/23/35/376012335.db2.gz KRKHOBBEXLFIMF-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1cnc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000336856161 376012345 /nfs/dbraw/zinc/01/23/45/376012345.db2.gz KRKHOBBEXLFIMF-MSOLQXFVSA-N 1 2 292.386 3.057 20 30 CGEDLO N#Cc1cccc(Nc2ccc(NC3CCCC3)[nH+]c2)n1 ZINC000535132393 376027369 /nfs/dbraw/zinc/02/73/69/376027369.db2.gz DFVCHCVPLBJLHV-UHFFFAOYSA-N 1 2 279.347 3.446 20 30 CGEDLO C=C1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000264537505 190116557 /nfs/dbraw/zinc/11/65/57/190116557.db2.gz ZRUCESPTRCULON-CQSZACIVSA-N 1 2 296.208 3.135 20 30 CGEDLO CC#CC[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000339756863 376834609 /nfs/dbraw/zinc/83/46/09/376834609.db2.gz ORIGZLVTTFCHGK-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000339756863 376834617 /nfs/dbraw/zinc/83/46/17/376834617.db2.gz ORIGZLVTTFCHGK-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000339769388 376837808 /nfs/dbraw/zinc/83/78/08/376837808.db2.gz MCYCHMIWISVFFR-GOSISDBHSA-N 1 2 287.378 3.068 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000339769388 376837813 /nfs/dbraw/zinc/83/78/13/376837813.db2.gz MCYCHMIWISVFFR-GOSISDBHSA-N 1 2 287.378 3.068 20 30 CGEDLO C=C(CNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1 ZINC000340908193 377315593 /nfs/dbraw/zinc/31/55/93/377315593.db2.gz HPGAYTNDUNVHMT-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO C=C(CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1 ZINC000340908193 377315598 /nfs/dbraw/zinc/31/55/98/377315598.db2.gz HPGAYTNDUNVHMT-UHFFFAOYSA-N 1 2 280.375 3.202 20 30 CGEDLO Cc1ccc(C[C@H]([NH2+]CCC#N)c2ccccn2)cc1 ZINC000562996009 377386037 /nfs/dbraw/zinc/38/60/37/377386037.db2.gz NRKLRBXEUWWCHK-KRWDZBQOSA-N 1 2 265.360 3.177 20 30 CGEDLO CC(C)(C)SCC/[NH+]=C/c1cccc(O)c1O ZINC000263864196 377952935 /nfs/dbraw/zinc/95/29/35/377952935.db2.gz YOGSSRUVZXWWTM-NTEUORMPSA-N 1 2 253.367 3.048 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000268136614 378048754 /nfs/dbraw/zinc/04/87/54/378048754.db2.gz PTJDZLLMTTZRTB-AWEZNQCLSA-N 1 2 283.350 3.358 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000268136614 378048761 /nfs/dbraw/zinc/04/87/61/378048761.db2.gz PTJDZLLMTTZRTB-AWEZNQCLSA-N 1 2 283.350 3.358 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000268564457 378075118 /nfs/dbraw/zinc/07/51/18/378075118.db2.gz PTLLCPXECSXLGO-BBRMVZONSA-N 1 2 295.810 3.040 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000268564457 378075123 /nfs/dbraw/zinc/07/51/23/378075123.db2.gz PTLLCPXECSXLGO-BBRMVZONSA-N 1 2 295.810 3.040 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cnc(-c3ccco3)s2)c1 ZINC000579067906 378126827 /nfs/dbraw/zinc/12/68/27/378126827.db2.gz XMAAGPGLPRJPNP-UHFFFAOYSA-N 1 2 296.355 3.476 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000345096207 378195159 /nfs/dbraw/zinc/19/51/59/378195159.db2.gz ABLSNJRIFRYRPR-UHFFFAOYSA-N 1 2 283.375 3.295 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC(C)C ZINC000271127605 378458557 /nfs/dbraw/zinc/45/85/57/378458557.db2.gz LRTKXIREBJSXOA-CYBMUJFWSA-N 1 2 276.380 3.074 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC(C)C ZINC000271127605 378458561 /nfs/dbraw/zinc/45/85/61/378458561.db2.gz LRTKXIREBJSXOA-CYBMUJFWSA-N 1 2 276.380 3.074 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000271139994 378461024 /nfs/dbraw/zinc/46/10/24/378461024.db2.gz USSMECWREQOFAB-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000271139994 378461029 /nfs/dbraw/zinc/46/10/29/378461029.db2.gz USSMECWREQOFAB-HNNXBMFYSA-N 1 2 295.386 3.252 20 30 CGEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000348027175 378757920 /nfs/dbraw/zinc/75/79/20/378757920.db2.gz FLSSOKLEMIMPMP-MRXNPFEDSA-N 1 2 295.810 3.306 20 30 CGEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000348027175 378757929 /nfs/dbraw/zinc/75/79/29/378757929.db2.gz FLSSOKLEMIMPMP-MRXNPFEDSA-N 1 2 295.810 3.306 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000370656007 379045577 /nfs/dbraw/zinc/04/55/77/379045577.db2.gz JSPRFWPTNHQCPM-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000370656007 379045585 /nfs/dbraw/zinc/04/55/85/379045585.db2.gz JSPRFWPTNHQCPM-AWEZNQCLSA-N 1 2 269.373 3.352 20 30 CGEDLO Cc1ccn2c(/C=C\c3ccncc3C#N)c[nH+]c2c1 ZINC000347450604 218239516 /nfs/dbraw/zinc/23/95/16/218239516.db2.gz SJFXNITZRSABCC-IHWYPQMZSA-N 1 2 260.300 3.080 20 30 CGEDLO CCCCCCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000371428148 379161340 /nfs/dbraw/zinc/16/13/40/379161340.db2.gz JRVXUNPUEPPWGB-UHFFFAOYSA-N 1 2 291.439 3.239 20 30 CGEDLO C=CCCCCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000351695848 379739491 /nfs/dbraw/zinc/73/94/91/379739491.db2.gz ZDWYDZDYVOGFJO-UHFFFAOYSA-N 1 2 298.390 3.028 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000352481971 379832953 /nfs/dbraw/zinc/83/29/53/379832953.db2.gz FVEJCOOBTFWTII-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352490283 379836411 /nfs/dbraw/zinc/83/64/11/379836411.db2.gz HZINISZZISDXCO-JTQLQIEISA-N 1 2 268.282 3.353 20 30 CGEDLO CC[C@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H](CC)O1 ZINC000398385535 379928589 /nfs/dbraw/zinc/92/85/89/379928589.db2.gz OVIBEQYPNJGQJW-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO Cn1cc[nH+]c1-c1cccc(NCc2nc(C#N)cs2)c1 ZINC000352850501 380004506 /nfs/dbraw/zinc/00/45/06/380004506.db2.gz XUHYJQWAOQVUNS-UHFFFAOYSA-N 1 2 295.371 3.027 20 30 CGEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1c(F)cccc1F ZINC000352855174 380007230 /nfs/dbraw/zinc/00/72/30/380007230.db2.gz SPRNAPKCNMKZEJ-MRVPVSSYSA-N 1 2 279.315 3.144 20 30 CGEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000411289363 380138104 /nfs/dbraw/zinc/13/81/04/380138104.db2.gz FFDBTHXJNPTXLT-HNNXBMFYSA-N 1 2 282.391 3.055 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000411289363 380138110 /nfs/dbraw/zinc/13/81/10/380138110.db2.gz FFDBTHXJNPTXLT-HNNXBMFYSA-N 1 2 282.391 3.055 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CCC(C)C)cs1 ZINC000411310169 380139644 /nfs/dbraw/zinc/13/96/44/380139644.db2.gz UDJQKHUVIDVMRJ-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CCC(C)C)cs1 ZINC000411310169 380139649 /nfs/dbraw/zinc/13/96/49/380139649.db2.gz UDJQKHUVIDVMRJ-UHFFFAOYSA-N 1 2 294.420 3.296 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000411183121 380133937 /nfs/dbraw/zinc/13/39/37/380133937.db2.gz IUHBIJJTYRNVAO-KBPBESRZSA-N 1 2 292.398 3.117 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000411183121 380133942 /nfs/dbraw/zinc/13/39/42/380133942.db2.gz IUHBIJJTYRNVAO-KBPBESRZSA-N 1 2 292.398 3.117 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1c(F)cncc1F ZINC000353205130 380167766 /nfs/dbraw/zinc/16/77/66/380167766.db2.gz OLKSJMIZTSRKEI-SECBINFHSA-N 1 2 291.276 3.221 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000354026465 380286437 /nfs/dbraw/zinc/28/64/37/380286437.db2.gz UIZIGQCBJZGQLJ-SNVBAGLBSA-N 1 2 250.292 3.089 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000354026465 380286442 /nfs/dbraw/zinc/28/64/42/380286442.db2.gz UIZIGQCBJZGQLJ-SNVBAGLBSA-N 1 2 250.292 3.089 20 30 CGEDLO CCc1[nH+]c(C(C)C)ccc1Cn1ccc(C#N)c1 ZINC000418927935 380749218 /nfs/dbraw/zinc/74/92/18/380749218.db2.gz XVSHMTKAYAJNHK-UHFFFAOYSA-N 1 2 253.349 3.489 20 30 CGEDLO CO[C@@H](CC(C)C)C[N@H+](CCC#N)Cc1ccco1 ZINC000419222856 380781068 /nfs/dbraw/zinc/78/10/68/380781068.db2.gz XYIHLEDSSPXKMW-HNNXBMFYSA-N 1 2 264.369 3.056 20 30 CGEDLO CO[C@@H](CC(C)C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000419222856 380781075 /nfs/dbraw/zinc/78/10/75/380781075.db2.gz XYIHLEDSSPXKMW-HNNXBMFYSA-N 1 2 264.369 3.056 20 30 CGEDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)C#N)c1 ZINC000358421690 381310376 /nfs/dbraw/zinc/31/03/76/381310376.db2.gz GMNOFKXZNASNTI-ZDUSSCGKSA-N 1 2 296.374 3.448 20 30 CGEDLO C=C(CC)C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000358512424 381314021 /nfs/dbraw/zinc/31/40/21/381314021.db2.gz SLIPMQAWNVVXQA-MRXNPFEDSA-N 1 2 283.375 3.444 20 30 CGEDLO C=C(CC)C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000358512424 381314026 /nfs/dbraw/zinc/31/40/26/381314026.db2.gz SLIPMQAWNVVXQA-MRXNPFEDSA-N 1 2 283.375 3.444 20 30 CGEDLO N#Cc1ccc(NCc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000360355358 381525141 /nfs/dbraw/zinc/52/51/41/381525141.db2.gz RBFUSNZZJORUOP-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO Cc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)c(C)[nH+]1 ZINC000334858197 207198345 /nfs/dbraw/zinc/19/83/45/207198345.db2.gz ACPWKVUWQSTGSZ-UHFFFAOYSA-N 1 2 287.269 3.101 20 30 CGEDLO C=C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000361571465 381811443 /nfs/dbraw/zinc/81/14/43/381811443.db2.gz LKGAHFIDVOWJDE-UHFFFAOYSA-N 1 2 256.143 3.194 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361751928 381866023 /nfs/dbraw/zinc/86/60/23/381866023.db2.gz UQQYNDJSWTZQRX-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361751928 381866030 /nfs/dbraw/zinc/86/60/30/381866030.db2.gz UQQYNDJSWTZQRX-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000362299647 381934659 /nfs/dbraw/zinc/93/46/59/381934659.db2.gz IWIUPWRHKXQIFG-LLVKDONJSA-N 1 2 291.782 3.206 20 30 CGEDLO Cc1ccc(C2CCN(c3ccncc3C#N)CC2)c[nH+]1 ZINC000364361863 382270272 /nfs/dbraw/zinc/27/02/72/382270272.db2.gz WSCMMJCGJQAEHX-UHFFFAOYSA-N 1 2 278.359 3.041 20 30 CGEDLO CCC[N@H+](Cc1cn(C(C)C)nn1)Cc1ccc(C#N)cc1 ZINC000289219624 197266946 /nfs/dbraw/zinc/26/69/46/197266946.db2.gz XKLSDIKJEQFVHC-UHFFFAOYSA-N 1 2 297.406 3.143 20 30 CGEDLO CCC[N@@H+](Cc1cn(C(C)C)nn1)Cc1ccc(C#N)cc1 ZINC000289219624 197266948 /nfs/dbraw/zinc/26/69/48/197266948.db2.gz XKLSDIKJEQFVHC-UHFFFAOYSA-N 1 2 297.406 3.143 20 30 CGEDLO C=C(C)CCNc1nc(C)[nH+]c(C)c1Br ZINC000306481796 542420781 /nfs/dbraw/zinc/42/07/81/542420781.db2.gz DEZLUASAMHBJDQ-UHFFFAOYSA-N 1 2 270.174 3.234 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000281355673 195209125 /nfs/dbraw/zinc/20/91/25/195209125.db2.gz KYDHYWJJIQJEHE-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000281355673 195209127 /nfs/dbraw/zinc/20/91/27/195209127.db2.gz KYDHYWJJIQJEHE-KRWDZBQOSA-N 1 2 298.365 3.158 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000337509911 542480880 /nfs/dbraw/zinc/48/08/80/542480880.db2.gz KXPDXYHUCUJWPU-UHFFFAOYSA-N 1 2 269.348 3.100 20 30 CGEDLO C=CCCc1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000337509911 542480883 /nfs/dbraw/zinc/48/08/83/542480883.db2.gz KXPDXYHUCUJWPU-UHFFFAOYSA-N 1 2 269.348 3.100 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000366576968 533270459 /nfs/dbraw/zinc/27/04/59/533270459.db2.gz SHOFDSTVTBQFQK-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000366576968 533270463 /nfs/dbraw/zinc/27/04/63/533270463.db2.gz SHOFDSTVTBQFQK-INIZCTEOSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(C)c1OC ZINC000347863807 533550583 /nfs/dbraw/zinc/55/05/83/533550583.db2.gz XCEGYNWHCCIOML-LBPRGKRZSA-N 1 2 288.391 3.136 20 30 CGEDLO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(C)c1OC ZINC000347863807 533550590 /nfs/dbraw/zinc/55/05/90/533550590.db2.gz XCEGYNWHCCIOML-LBPRGKRZSA-N 1 2 288.391 3.136 20 30 CGEDLO CC(C)([NH2+]CC#Cc1ccccc1)c1nccs1 ZINC000192106770 130372607 /nfs/dbraw/zinc/37/26/07/130372607.db2.gz HCFZLHVKLADACM-UHFFFAOYSA-N 1 2 256.374 3.020 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(C)o1)Cc1cccc(C#N)c1 ZINC000075674270 392216545 /nfs/dbraw/zinc/21/65/45/392216545.db2.gz PYIPHFGGZQPOKM-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1ncc(C)o1)Cc1cccc(C#N)c1 ZINC000075674270 392216548 /nfs/dbraw/zinc/21/65/48/392216548.db2.gz PYIPHFGGZQPOKM-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285322352 392321551 /nfs/dbraw/zinc/32/15/51/392321551.db2.gz IZAIRBROIKWVGM-QGZVFWFLSA-N 1 2 283.350 3.128 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285322352 392321558 /nfs/dbraw/zinc/32/15/58/392321558.db2.gz IZAIRBROIKWVGM-QGZVFWFLSA-N 1 2 283.350 3.128 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccccc2)O1 ZINC000245559235 131086308 /nfs/dbraw/zinc/08/63/08/131086308.db2.gz LOQLDOZKNDZDNO-GUYCJALGSA-N 1 2 282.343 3.113 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](c2ccccc2)O1 ZINC000245559235 131086309 /nfs/dbraw/zinc/08/63/09/131086309.db2.gz LOQLDOZKNDZDNO-GUYCJALGSA-N 1 2 282.343 3.113 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000289311936 392418668 /nfs/dbraw/zinc/41/86/68/392418668.db2.gz XNAWPFDIRGYDGC-MGPQQGTHSA-N 1 2 291.395 3.065 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000289311936 392418674 /nfs/dbraw/zinc/41/86/74/392418674.db2.gz XNAWPFDIRGYDGC-MGPQQGTHSA-N 1 2 291.395 3.065 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cc1Br ZINC000289741440 392431938 /nfs/dbraw/zinc/43/19/38/392431938.db2.gz PJDVJANVAMKQRI-NSHDSACASA-N 1 2 297.196 3.240 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)C[C@H](C)C#N ZINC000372282720 392597347 /nfs/dbraw/zinc/59/73/47/392597347.db2.gz OYKIDYPDYOSNCX-CQSZACIVSA-N 1 2 295.386 3.349 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000372282720 392597352 /nfs/dbraw/zinc/59/73/52/392597352.db2.gz OYKIDYPDYOSNCX-CQSZACIVSA-N 1 2 295.386 3.349 20 30 CGEDLO CC1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000329544641 392687014 /nfs/dbraw/zinc/68/70/14/392687014.db2.gz YVXIJBPRYYOKHS-UHFFFAOYSA-N 1 2 272.352 3.192 20 30 CGEDLO CCOC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186730840 392786083 /nfs/dbraw/zinc/78/60/83/392786083.db2.gz ZYDLVQFHUNEJGW-UHFFFAOYSA-N 1 2 278.783 3.213 20 30 CGEDLO CC(C)(C#N)CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000345709329 393064987 /nfs/dbraw/zinc/06/49/87/393064987.db2.gz JGLZSIANRCBBHZ-UHFFFAOYSA-N 1 2 282.391 3.352 20 30 CGEDLO CC(C)(C#N)CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000345709329 393064992 /nfs/dbraw/zinc/06/49/92/393064992.db2.gz JGLZSIANRCBBHZ-UHFFFAOYSA-N 1 2 282.391 3.352 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349368603 393146878 /nfs/dbraw/zinc/14/68/78/393146878.db2.gz KAGDGTCXYSDEIL-HNNXBMFYSA-N 1 2 286.423 3.055 20 30 CGEDLO CC#CC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349368603 393146884 /nfs/dbraw/zinc/14/68/84/393146884.db2.gz KAGDGTCXYSDEIL-HNNXBMFYSA-N 1 2 286.423 3.055 20 30 CGEDLO C=CCCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281835835 393355702 /nfs/dbraw/zinc/35/57/02/393355702.db2.gz PDTQYWCCYMZPLD-CQSZACIVSA-N 1 2 275.396 3.313 20 30 CGEDLO C=CC[N@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649477956 393442524 /nfs/dbraw/zinc/44/25/24/393442524.db2.gz MKTBKJNENOSBHY-UHFFFAOYSA-N 1 2 267.376 3.018 20 30 CGEDLO C=CC[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccccc1 ZINC000649477956 393442529 /nfs/dbraw/zinc/44/25/29/393442529.db2.gz MKTBKJNENOSBHY-UHFFFAOYSA-N 1 2 267.376 3.018 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2[nH+]1 ZINC000448810815 393872130 /nfs/dbraw/zinc/87/21/30/393872130.db2.gz OBNDILHWUJXBCI-APPDUMDISA-N 1 2 296.374 3.394 20 30 CGEDLO C=CCOc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1OC ZINC000449412818 393880458 /nfs/dbraw/zinc/88/04/58/393880458.db2.gz GTGGHIRRKHFQFH-LLVKDONJSA-N 1 2 285.334 3.393 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(F)c(F)c1 ZINC000673606102 543246790 /nfs/dbraw/zinc/24/67/90/543246790.db2.gz AONHRKDZXNRMOB-OAHLLOKOSA-N 1 2 277.318 3.105 20 30 CGEDLO COCC#CC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000677478284 543450269 /nfs/dbraw/zinc/45/02/69/543450269.db2.gz SYVZAZIFGKORBA-UHFFFAOYSA-N 1 2 289.400 3.302 20 30 CGEDLO COCC#CC[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000677478284 543450272 /nfs/dbraw/zinc/45/02/72/543450272.db2.gz SYVZAZIFGKORBA-UHFFFAOYSA-N 1 2 289.400 3.302 20 30 CGEDLO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000677802495 543466840 /nfs/dbraw/zinc/46/68/40/543466840.db2.gz NMJMDLGYVHQMCN-CQSZACIVSA-N 1 2 286.202 3.289 20 30 CGEDLO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000677802495 543466841 /nfs/dbraw/zinc/46/68/41/543466841.db2.gz NMJMDLGYVHQMCN-CQSZACIVSA-N 1 2 286.202 3.289 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594793 165307146 /nfs/dbraw/zinc/30/71/46/165307146.db2.gz WKAIUXRWPYQMEP-ZDUSSCGKSA-N 1 2 290.413 3.255 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594793 165307148 /nfs/dbraw/zinc/30/71/48/165307148.db2.gz WKAIUXRWPYQMEP-ZDUSSCGKSA-N 1 2 290.413 3.255 20 30 CGEDLO C=CCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040295865 174223915 /nfs/dbraw/zinc/22/39/15/174223915.db2.gz XMVXLKYQNUPMAO-UHFFFAOYSA-N 1 2 297.402 3.386 20 30 CGEDLO C[C@]1(C#N)CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000680105311 543685426 /nfs/dbraw/zinc/68/54/26/543685426.db2.gz KXINRFNSMSOZOD-MRXNPFEDSA-N 1 2 274.339 3.024 20 30 CGEDLO C[C@]1(C#N)CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000680105311 543685427 /nfs/dbraw/zinc/68/54/27/543685427.db2.gz KXINRFNSMSOZOD-MRXNPFEDSA-N 1 2 274.339 3.024 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1nnc(CC)s1 ZINC000680052930 543681259 /nfs/dbraw/zinc/68/12/59/543681259.db2.gz DMGUNOOIIJPBFQ-UHFFFAOYSA-N 1 2 253.415 3.279 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1nnc(CC)s1 ZINC000680052930 543681260 /nfs/dbraw/zinc/68/12/60/543681260.db2.gz DMGUNOOIIJPBFQ-UHFFFAOYSA-N 1 2 253.415 3.279 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000683844670 543948386 /nfs/dbraw/zinc/94/83/86/543948386.db2.gz XZPWPZHTFGHMCQ-CYBMUJFWSA-N 1 2 259.328 3.014 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2cccc(F)c2n1 ZINC000683844670 543948388 /nfs/dbraw/zinc/94/83/88/543948388.db2.gz XZPWPZHTFGHMCQ-CYBMUJFWSA-N 1 2 259.328 3.014 20 30 CGEDLO C=CCOc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000684413574 543996224 /nfs/dbraw/zinc/99/62/24/543996224.db2.gz PXZLIZWKCJVRQD-UHFFFAOYSA-N 1 2 255.308 3.385 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3ccc(F)c(C#N)c3)cn2c1 ZINC000133775796 287429510 /nfs/dbraw/zinc/42/95/10/287429510.db2.gz OGJJODWSPBVWQD-UHFFFAOYSA-N 1 2 280.306 3.266 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329039031 227269990 /nfs/dbraw/zinc/26/99/90/227269990.db2.gz ZSDVSVBYBQHRMJ-MELADBBJSA-N 1 2 273.380 3.107 20 30 CGEDLO C=CCOCCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000664387361 418947810 /nfs/dbraw/zinc/94/78/10/418947810.db2.gz DRARBLLXSKPHRL-UHFFFAOYSA-N 1 2 282.347 3.116 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCC1(C)C ZINC000655034330 419016163 /nfs/dbraw/zinc/01/61/63/419016163.db2.gz YCXYXRKDYCFZBS-HIFRSBDPSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CC[C@@H]1N(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCC1(C)C ZINC000655034330 419016167 /nfs/dbraw/zinc/01/61/67/419016167.db2.gz YCXYXRKDYCFZBS-HIFRSBDPSA-N 1 2 289.423 3.182 20 30 CGEDLO C=CC[N@H+](Cc1csc(C2CC2)n1)[C@@H](C)COC ZINC000661241339 419243971 /nfs/dbraw/zinc/24/39/71/419243971.db2.gz WANMCFRBRQKJHO-NSHDSACASA-N 1 2 266.410 3.043 20 30 CGEDLO C=CC[N@@H+](Cc1csc(C2CC2)n1)[C@@H](C)COC ZINC000661241339 419243973 /nfs/dbraw/zinc/24/39/73/419243973.db2.gz WANMCFRBRQKJHO-NSHDSACASA-N 1 2 266.410 3.043 20 30 CGEDLO C=CC[C@H]1CCCN(C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000661330047 419250647 /nfs/dbraw/zinc/25/06/47/419250647.db2.gz FWRLKLVQXMFSQO-HNNXBMFYSA-N 1 2 287.407 3.196 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000661380555 419255815 /nfs/dbraw/zinc/25/58/15/419255815.db2.gz OBGXSEGWMYFDFF-LBPRGKRZSA-N 1 2 294.345 3.191 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(F)cccc2F)C1 ZINC000661380555 419255819 /nfs/dbraw/zinc/25/58/19/419255819.db2.gz OBGXSEGWMYFDFF-LBPRGKRZSA-N 1 2 294.345 3.191 20 30 CGEDLO C=CCOCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661798932 419299699 /nfs/dbraw/zinc/29/96/99/419299699.db2.gz QXUKOGTZTFAPRM-CJNGLKHVSA-N 1 2 295.810 3.304 20 30 CGEDLO C=CCOCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661798932 419299701 /nfs/dbraw/zinc/29/97/01/419299701.db2.gz QXUKOGTZTFAPRM-CJNGLKHVSA-N 1 2 295.810 3.304 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2cccs2)n1 ZINC000331415130 228098259 /nfs/dbraw/zinc/09/82/59/228098259.db2.gz QFQYCJUKTAYNLM-CMPLNLGQSA-N 1 2 273.361 3.185 20 30 CGEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000331431836 228100602 /nfs/dbraw/zinc/10/06/02/228100602.db2.gz UEAAVVFFJARLID-CMPLNLGQSA-N 1 2 273.361 3.185 20 30 CGEDLO CC[N@H+](CCCNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000032425721 260144127 /nfs/dbraw/zinc/14/41/27/260144127.db2.gz IXFMUXSHPJVHDA-UHFFFAOYSA-N 1 2 299.418 3.103 20 30 CGEDLO CC[N@@H+](CCCNC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000032425721 260144128 /nfs/dbraw/zinc/14/41/28/260144128.db2.gz IXFMUXSHPJVHDA-UHFFFAOYSA-N 1 2 299.418 3.103 20 30 CGEDLO Cc1[nH]c(-c2cccc(NC(=O)C(C)(C)C#N)c2)[nH+]c1C ZINC000363379933 260147679 /nfs/dbraw/zinc/14/76/79/260147679.db2.gz ZPHGDABVLNOFCL-UHFFFAOYSA-N 1 2 282.347 3.182 20 30 CGEDLO CC[C@@H](C#N)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115354183 260263259 /nfs/dbraw/zinc/26/32/59/260263259.db2.gz PPKXQAKZSTZORC-AWEZNQCLSA-N 1 2 295.342 3.214 20 30 CGEDLO CC(C)COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccco1 ZINC000184156281 262010800 /nfs/dbraw/zinc/01/08/00/262010800.db2.gz YMNBQZZAERWOOZ-GJZGRUSLSA-N 1 2 289.379 3.026 20 30 CGEDLO CC/C=C/CC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000363996024 262083678 /nfs/dbraw/zinc/08/36/78/262083678.db2.gz RNNTXSODFDFXFU-MEGKRXCUSA-N 1 2 262.397 3.270 20 30 CGEDLO CC/C=C/CC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000363996024 262083679 /nfs/dbraw/zinc/08/36/79/262083679.db2.gz RNNTXSODFDFXFU-MEGKRXCUSA-N 1 2 262.397 3.270 20 30 CGEDLO CC[N@@H+](Cc1ccccc1OC(F)F)C[C@H](C)C#N ZINC000193500809 262222735 /nfs/dbraw/zinc/22/27/35/262222735.db2.gz YSFUKQGRPRADGZ-LLVKDONJSA-N 1 2 268.307 3.270 20 30 CGEDLO CC[N@H+](Cc1ccccc1OC(F)F)C[C@H](C)C#N ZINC000193500809 262222737 /nfs/dbraw/zinc/22/27/37/262222737.db2.gz YSFUKQGRPRADGZ-LLVKDONJSA-N 1 2 268.307 3.270 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC(C)(C)C#N ZINC000354018896 262276142 /nfs/dbraw/zinc/27/61/42/262276142.db2.gz SJQDPYNYPJXGGC-UHFFFAOYSA-N 1 2 268.364 3.058 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)CC(C)(C)C#N ZINC000354018896 262276143 /nfs/dbraw/zinc/27/61/43/262276143.db2.gz SJQDPYNYPJXGGC-UHFFFAOYSA-N 1 2 268.364 3.058 20 30 CGEDLO C=CC[N@@H+](Cc1ccnc(OC)c1)Cc1ccccc1F ZINC000339865423 262685252 /nfs/dbraw/zinc/68/52/52/262685252.db2.gz KAIKAHNOLMCWNX-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO C=CC[N@H+](Cc1ccnc(OC)c1)Cc1ccccc1F ZINC000339865423 262685253 /nfs/dbraw/zinc/68/52/53/262685253.db2.gz KAIKAHNOLMCWNX-UHFFFAOYSA-N 1 2 286.350 3.418 20 30 CGEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000273392553 263016558 /nfs/dbraw/zinc/01/65/58/263016558.db2.gz DUJOJIKMHXZCHN-AWEZNQCLSA-N 1 2 277.368 3.300 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)nn1C ZINC000282013569 263073759 /nfs/dbraw/zinc/07/37/59/263073759.db2.gz DRVWVQCZPQWQDI-GDBMZVCRSA-N 1 2 282.391 3.424 20 30 CGEDLO CC(C)O[C@@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000292432003 263132042 /nfs/dbraw/zinc/13/20/42/263132042.db2.gz MELXHFDJGWDZNW-ZBFHGGJFSA-N 1 2 260.381 3.244 20 30 CGEDLO CC(C)O[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000292432003 263132043 /nfs/dbraw/zinc/13/20/43/263132043.db2.gz MELXHFDJGWDZNW-ZBFHGGJFSA-N 1 2 260.381 3.244 20 30 CGEDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CC[C@@H](C#N)C1 ZINC000292897018 263136135 /nfs/dbraw/zinc/13/61/35/263136135.db2.gz VREKIQAYFKOKAH-BDAKNGLRSA-N 1 2 289.326 3.286 20 30 CGEDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)[C@H]1CC[C@@H](C#N)C1 ZINC000292897018 263136136 /nfs/dbraw/zinc/13/61/36/263136136.db2.gz VREKIQAYFKOKAH-BDAKNGLRSA-N 1 2 289.326 3.286 20 30 CGEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CCCC#N ZINC000293304953 263139165 /nfs/dbraw/zinc/13/91/65/263139165.db2.gz NCKYIRDMAJRMSP-UHFFFAOYSA-N 1 2 268.320 3.018 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000298891178 263227430 /nfs/dbraw/zinc/22/74/30/263227430.db2.gz LGURZDLPRFNSTM-CYBMUJFWSA-N 1 2 298.365 3.062 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000298891178 263227432 /nfs/dbraw/zinc/22/74/32/263227432.db2.gz LGURZDLPRFNSTM-CYBMUJFWSA-N 1 2 298.365 3.062 20 30 CGEDLO C=C1CC[NH+](CC(=O)c2cc(C)n(CCC)c2C)CC1 ZINC000342000037 263374941 /nfs/dbraw/zinc/37/49/41/263374941.db2.gz YDXHDUVXOLQUKW-UHFFFAOYSA-N 1 2 274.408 3.350 20 30 CGEDLO C=CCCCCCC[NH2+][C@@H](c1nnc[nH]1)c1cccnc1 ZINC000294276804 265008425 /nfs/dbraw/zinc/00/84/25/265008425.db2.gz MCZISUTVYDAWLI-OAHLLOKOSA-N 1 2 285.395 3.015 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912816 266209828 /nfs/dbraw/zinc/20/98/28/266209828.db2.gz GKWVAWCCODCBKQ-NVXWUHKLSA-N 1 2 287.407 3.002 20 30 CGEDLO CC[C@@H]1C[C@H](C[N@@H+](CCC#N)Cc2cccnc2)CCO1 ZINC000356912816 266209830 /nfs/dbraw/zinc/20/98/30/266209830.db2.gz GKWVAWCCODCBKQ-NVXWUHKLSA-N 1 2 287.407 3.002 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000357556343 266323296 /nfs/dbraw/zinc/32/32/96/266323296.db2.gz VUZYKCQIAYGZBF-UHFFFAOYSA-N 1 2 271.339 3.162 20 30 CGEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CC1 ZINC000357556343 266323297 /nfs/dbraw/zinc/32/32/97/266323297.db2.gz VUZYKCQIAYGZBF-UHFFFAOYSA-N 1 2 271.339 3.162 20 30 CGEDLO C=CCCCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000357689445 266347864 /nfs/dbraw/zinc/34/78/64/266347864.db2.gz WLZKTHLXYCDGHB-UHFFFAOYSA-N 1 2 274.339 3.320 20 30 CGEDLO C=C[C@@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000362611448 267021263 /nfs/dbraw/zinc/02/12/63/267021263.db2.gz CVHLICOTOQRDIT-GFCCVEGCSA-N 1 2 268.316 3.178 20 30 CGEDLO Cc1ccsc1CN(C)c1cc(C)[nH+]cc1C#N ZINC000399617096 267524326 /nfs/dbraw/zinc/52/43/26/267524326.db2.gz XXMVJNZWEXWWNI-UHFFFAOYSA-N 1 2 257.362 3.268 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354016947 302075178 /nfs/dbraw/zinc/07/51/78/302075178.db2.gz FIYRTZHZBCGHKS-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO Cc1ccccc1-n1nccc1C[N@H+](C)CC(C)(C)C#N ZINC000354016947 302075180 /nfs/dbraw/zinc/07/51/80/302075180.db2.gz FIYRTZHZBCGHKS-UHFFFAOYSA-N 1 2 282.391 3.162 20 30 CGEDLO N#Cc1ccnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1Cl ZINC000429219141 303209623 /nfs/dbraw/zinc/20/96/23/303209623.db2.gz XLYSRLMXIBVWKI-LLVKDONJSA-N 1 2 287.754 3.061 20 30 CGEDLO C=CCCCC[NH2+]c1ccc(C)cc1OCC(=O)N(C)C ZINC000571614206 328137727 /nfs/dbraw/zinc/13/77/27/328137727.db2.gz DZAJFBUJVTZMCG-UHFFFAOYSA-N 1 2 290.407 3.230 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290972761 328261361 /nfs/dbraw/zinc/26/13/61/328261361.db2.gz XOYXEPGEBPMLAV-NSHDSACASA-N 1 2 272.270 3.193 20 30 CGEDLO CCc1cc(C#N)c(NC(=O)c2ccc3[nH+]ccn3c2)s1 ZINC000170871774 321916317 /nfs/dbraw/zinc/91/63/17/321916317.db2.gz OVHSIGIASWZQMU-UHFFFAOYSA-N 1 2 296.355 3.082 20 30 CGEDLO C=C(C)COCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000534876127 328367542 /nfs/dbraw/zinc/36/75/42/328367542.db2.gz KXPAVDUDXRGRFV-UHFFFAOYSA-N 1 2 277.412 3.150 20 30 CGEDLO C#CCCCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281698094 328505307 /nfs/dbraw/zinc/50/53/07/328505307.db2.gz GYVFKLACEXVFHP-OAHLLOKOSA-N 1 2 287.407 3.150 20 30 CGEDLO CCOc1cccc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000568408301 326998217 /nfs/dbraw/zinc/99/82/17/326998217.db2.gz JTOSWLUEZRRCQM-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1F ZINC000030205819 327053193 /nfs/dbraw/zinc/05/31/93/327053193.db2.gz TVZYTMONGQPCOT-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1F ZINC000030205819 327053195 /nfs/dbraw/zinc/05/31/95/327053195.db2.gz TVZYTMONGQPCOT-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1sc(C)nc1C(F)(F)F ZINC000569590286 327201627 /nfs/dbraw/zinc/20/16/27/327201627.db2.gz WEBMPRFAWPGBOV-QMMMGPOBSA-N 1 2 277.315 3.252 20 30 CGEDLO C=CCC(C)(C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000560353397 327302257 /nfs/dbraw/zinc/30/22/57/327302257.db2.gz FGXHKADKOPUTQR-UHFFFAOYSA-N 1 2 271.364 3.412 20 30 CGEDLO C=CCC(CC=C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421576476 329843267 /nfs/dbraw/zinc/84/32/67/329843267.db2.gz MSLRRIYDVUFSRH-UHFFFAOYSA-N 1 2 258.365 3.083 20 30 CGEDLO CCn1cc(C[N@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000533016481 330324111 /nfs/dbraw/zinc/32/41/11/330324111.db2.gz PBCUTHTWMOHZIV-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CCn1cc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)cn1 ZINC000533016481 330324112 /nfs/dbraw/zinc/32/41/12/330324112.db2.gz PBCUTHTWMOHZIV-UHFFFAOYSA-N 1 2 287.794 3.040 20 30 CGEDLO CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)C[C@@H](C)C#N ZINC000533265502 330355861 /nfs/dbraw/zinc/35/58/61/330355861.db2.gz XVNKOLQEHHEQHB-AWEZNQCLSA-N 1 2 280.375 3.125 20 30 CGEDLO CC[N@H+](Cc1cnc(-c2ccccc2)nc1)C[C@@H](C)C#N ZINC000533265502 330355862 /nfs/dbraw/zinc/35/58/62/330355862.db2.gz XVNKOLQEHHEQHB-AWEZNQCLSA-N 1 2 280.375 3.125 20 30 CGEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1c[nH+]cn1C(C)C ZINC000424577103 330386711 /nfs/dbraw/zinc/38/67/11/330386711.db2.gz OCEUXZWORLIFSU-MRXNPFEDSA-N 1 2 296.374 3.217 20 30 CGEDLO C=CCOc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000449414386 330923692 /nfs/dbraw/zinc/92/36/92/330923692.db2.gz LUQXCZFHLJZGBK-NSHDSACASA-N 1 2 255.308 3.385 20 30 CGEDLO Cc1cc(Nc2cccc(CC#N)c2)nc(C(C)C)[nH+]1 ZINC000450893148 331005298 /nfs/dbraw/zinc/00/52/98/331005298.db2.gz QVOOIAAMRUDQEB-UHFFFAOYSA-N 1 2 266.348 3.140 20 30 CGEDLO C[N@H+](Cc1ccccc1OC1CC1)CC(C)(C)C#N ZINC000451065940 331014619 /nfs/dbraw/zinc/01/46/19/331014619.db2.gz SMHVPZCFRIZAKP-UHFFFAOYSA-N 1 2 258.365 3.209 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC1CC1)CC(C)(C)C#N ZINC000451065940 331014620 /nfs/dbraw/zinc/01/46/20/331014620.db2.gz SMHVPZCFRIZAKP-UHFFFAOYSA-N 1 2 258.365 3.209 20 30 CGEDLO C=CCCCCCN(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455489939 331170854 /nfs/dbraw/zinc/17/08/54/331170854.db2.gz UHEDMNFGJDSXJI-UONOGXRCSA-N 1 2 290.411 3.277 20 30 CGEDLO C=CC[C@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456424308 331192431 /nfs/dbraw/zinc/19/24/31/331192431.db2.gz PKWCUPBIQJIJQV-VNQPRFMTSA-N 1 2 295.386 3.365 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000489408953 332050511 /nfs/dbraw/zinc/05/05/11/332050511.db2.gz RQIDELZEEKXZRS-KRWDZBQOSA-N 1 2 281.403 3.472 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000489408953 332050512 /nfs/dbraw/zinc/05/05/12/332050512.db2.gz RQIDELZEEKXZRS-KRWDZBQOSA-N 1 2 281.403 3.472 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc([C@H](C)OCC(C)C)no1 ZINC000489446954 332053022 /nfs/dbraw/zinc/05/30/22/332053022.db2.gz HHDVLHRATMOWNB-UONOGXRCSA-N 1 2 293.411 3.344 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc([C@H](C)OCC(C)C)no1 ZINC000489446954 332053024 /nfs/dbraw/zinc/05/30/24/332053024.db2.gz HHDVLHRATMOWNB-UONOGXRCSA-N 1 2 293.411 3.344 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000489453353 332053507 /nfs/dbraw/zinc/05/35/07/332053507.db2.gz ZCZHZKMXNXPPCR-CYBMUJFWSA-N 1 2 286.404 3.141 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000489453353 332053509 /nfs/dbraw/zinc/05/35/09/332053509.db2.gz ZCZHZKMXNXPPCR-CYBMUJFWSA-N 1 2 286.404 3.141 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(CC)o1)c1ccc(F)cc1 ZINC000491535506 332231439 /nfs/dbraw/zinc/23/14/39/332231439.db2.gz CGRJBGGSBBBIKQ-MRXNPFEDSA-N 1 2 257.308 3.445 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc(F)cc1 ZINC000491543423 332233813 /nfs/dbraw/zinc/23/38/13/332233813.db2.gz GRRQCJYYTWWJCW-INIZCTEOSA-N 1 2 297.377 3.377 20 30 CGEDLO C=CCOc1cccc(NC(=O)/C=C/c2[nH+]ccn2CC)c1 ZINC000492407704 332396060 /nfs/dbraw/zinc/39/60/60/332396060.db2.gz LECHCUGYHQBWLY-CMDGGOBGSA-N 1 2 297.358 3.120 20 30 CGEDLO C=C1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000517468140 333100135 /nfs/dbraw/zinc/10/01/35/333100135.db2.gz BYIFEHYGAJMFAG-UHFFFAOYSA-N 1 2 269.348 3.197 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000521252959 333116428 /nfs/dbraw/zinc/11/64/28/333116428.db2.gz VPVRJONSDOLYKJ-UHFFFAOYSA-N 1 2 272.392 3.401 20 30 CGEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C#N ZINC000541764211 333790947 /nfs/dbraw/zinc/79/09/47/333790947.db2.gz UVHDBFHLQXVMGV-AWEZNQCLSA-N 1 2 282.391 3.245 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2coc(-c3ccccc3)n2)c1 ZINC000546633738 334042272 /nfs/dbraw/zinc/04/22/72/334042272.db2.gz ROHJOMZBJOBXLZ-UHFFFAOYSA-N 1 2 290.326 3.415 20 30 CGEDLO C=CC[NH+](CC=C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089885713 334352845 /nfs/dbraw/zinc/35/28/45/334352845.db2.gz OJIJKKFVDLEXHQ-UHFFFAOYSA-N 1 2 299.330 3.424 20 30 CGEDLO N#C[C@H]1CC[C@H]([NH2+]CC(F)(F)c2ccc(F)cc2)C1 ZINC000567250669 334697901 /nfs/dbraw/zinc/69/79/01/334697901.db2.gz RPIPYTFLAQDNTA-GWCFXTLKSA-N 1 2 268.282 3.199 20 30 CGEDLO C=CCC(C)(C)c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000576448608 335204328 /nfs/dbraw/zinc/20/43/28/335204328.db2.gz AGTRCHQQCCTTCS-UHFFFAOYSA-N 1 2 296.374 3.470 20 30 CGEDLO CCCCOc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000577576517 335372088 /nfs/dbraw/zinc/37/20/88/335372088.db2.gz NBMSXCRMUOIPFX-UHFFFAOYSA-N 1 2 258.365 3.259 20 30 CGEDLO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1nccn1C ZINC000183370780 335890416 /nfs/dbraw/zinc/89/04/16/335890416.db2.gz XNTPTFYJHFKVHL-DZGCQCFKSA-N 1 2 268.364 3.116 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cncc(F)c1 ZINC000428353808 533926780 /nfs/dbraw/zinc/92/67/80/533926780.db2.gz WXDRYPLIRACRMC-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C=C(CC)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000352276996 526852472 /nfs/dbraw/zinc/85/24/72/526852472.db2.gz XTTNAGNENPMBKV-LLVKDONJSA-N 1 2 254.424 3.199 20 30 CGEDLO C=C(CC)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000352276996 526852476 /nfs/dbraw/zinc/85/24/76/526852476.db2.gz XTTNAGNENPMBKV-LLVKDONJSA-N 1 2 254.424 3.199 20 30 CGEDLO C=CCCC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000353820808 527092281 /nfs/dbraw/zinc/09/22/81/527092281.db2.gz BHEZNIVQCJOSCF-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C=CCCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352015075 527192497 /nfs/dbraw/zinc/19/24/97/527192497.db2.gz PAJWGHDVFAGMLT-UHFFFAOYSA-N 1 2 270.279 3.271 20 30 CGEDLO C=CCCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352015075 527192500 /nfs/dbraw/zinc/19/25/00/527192500.db2.gz PAJWGHDVFAGMLT-UHFFFAOYSA-N 1 2 270.279 3.271 20 30 CGEDLO CC(C)(C#N)C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000336208628 527488026 /nfs/dbraw/zinc/48/80/26/527488026.db2.gz XBXNQRNOGLHWBL-SNVBAGLBSA-N 1 2 268.282 3.231 20 30 CGEDLO CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCC#N ZINC000347644935 527870750 /nfs/dbraw/zinc/87/07/50/527870750.db2.gz CVVCYOPYFUAFDT-HYXAFXHYSA-N 1 2 250.292 3.214 20 30 CGEDLO CC[N@H+](C/C=C\c1ccc(F)c(F)c1)CCC#N ZINC000347644935 527870753 /nfs/dbraw/zinc/87/07/53/527870753.db2.gz CVVCYOPYFUAFDT-HYXAFXHYSA-N 1 2 250.292 3.214 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C/c1ccccc1O ZINC000727653010 571760948 /nfs/dbraw/zinc/76/09/48/571760948.db2.gz ADQGNBLLEUDWGB-QGOAFFKASA-N 1 2 269.344 3.453 20 30 CGEDLO CC(C)[C@@H]1CCC[C@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000728785447 571822069 /nfs/dbraw/zinc/82/20/69/571822069.db2.gz GSBONWXIZFTYCI-FMBJEWMDSA-N 1 2 277.364 3.437 20 30 CGEDLO COc1cccc2cc(C(=O)/C=C/c3[nH]cc[nH+]3)oc21 ZINC000731157123 572398443 /nfs/dbraw/zinc/39/84/43/572398443.db2.gz RSPGQFAPICLRDP-AATRIKPKSA-N 1 2 268.272 3.061 20 30 CGEDLO O=C1c2cc(Cl)cc(Cl)c2OC/C1=C\c1[nH]cc[nH+]1 ZINC000731157695 572398818 /nfs/dbraw/zinc/39/88/18/572398818.db2.gz ZTQRMHYOTCBJEF-XVNBXDOJSA-N 1 2 295.125 3.375 20 30 CGEDLO COCc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000743439578 572660736 /nfs/dbraw/zinc/66/07/36/572660736.db2.gz BPQODJHDMNXYCA-UHFFFAOYSA-N 1 2 291.354 3.249 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000744211504 572723535 /nfs/dbraw/zinc/72/35/35/572723535.db2.gz USKYRLLCZDBGLB-UHFFFAOYSA-N 1 2 298.317 3.369 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000744211504 572723538 /nfs/dbraw/zinc/72/35/38/572723538.db2.gz USKYRLLCZDBGLB-UHFFFAOYSA-N 1 2 298.317 3.369 20 30 CGEDLO C=C(Cl)COC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000736835773 572820155 /nfs/dbraw/zinc/82/01/55/572820155.db2.gz SVFZPBXAFSYRRL-UHFFFAOYSA-N 1 2 283.755 3.183 20 30 CGEDLO CCOc1cccc(/C=[NH+]\[C@H](CC)C2CCOCC2)c1O ZINC000746393386 572869419 /nfs/dbraw/zinc/86/94/19/572869419.db2.gz KPMTWHDALFMFCT-PWDRBQJJSA-N 1 2 291.391 3.415 20 30 CGEDLO C#CC[N@@H+](CC)CC(=O)N(CC)c1cccc2ccccc21 ZINC000746456915 572871926 /nfs/dbraw/zinc/87/19/26/572871926.db2.gz RUJJLAPEDSWPBG-UHFFFAOYSA-N 1 2 294.398 3.148 20 30 CGEDLO C#CC[N@H+](CC)CC(=O)N(CC)c1cccc2ccccc21 ZINC000746456915 572871930 /nfs/dbraw/zinc/87/19/30/572871930.db2.gz RUJJLAPEDSWPBG-UHFFFAOYSA-N 1 2 294.398 3.148 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@H](C)Cc2ccncc2)c(O)c1 ZINC000749844585 573046101 /nfs/dbraw/zinc/04/61/01/573046101.db2.gz KVFFGBAHUHOFQC-CQLSMYGBSA-N 1 2 284.359 3.236 20 30 CGEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970380958 613371503 /nfs/dbraw/zinc/37/15/03/613371503.db2.gz RQMUAXJGJDDGPZ-OLZOCXBDSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000981882734 613373194 /nfs/dbraw/zinc/37/31/94/613373194.db2.gz RFEDJYYBSUIJSO-UHFFFAOYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000981882734 613373195 /nfs/dbraw/zinc/37/31/95/613373195.db2.gz RFEDJYYBSUIJSO-UHFFFAOYSA-N 1 2 296.842 3.020 20 30 CGEDLO C=C(C)c1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000890888440 617891310 /nfs/dbraw/zinc/89/13/10/617891310.db2.gz BVQZDTNNOIXWPA-UHFFFAOYSA-N 1 2 295.386 3.434 20 30 CGEDLO C=CC1(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCCCC1 ZINC000933298289 618194604 /nfs/dbraw/zinc/19/46/04/618194604.db2.gz GBBPEXYWIWKJFX-OAHLLOKOSA-N 1 2 289.423 3.162 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933772981 618324542 /nfs/dbraw/zinc/32/45/42/618324542.db2.gz ZEFBYDHRGFFPEL-UHFFFAOYSA-N 1 2 284.384 3.454 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933772981 618324553 /nfs/dbraw/zinc/32/45/53/618324553.db2.gz ZEFBYDHRGFFPEL-UHFFFAOYSA-N 1 2 284.384 3.454 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC000891937439 618396114 /nfs/dbraw/zinc/39/61/14/618396114.db2.gz JKOQZVBCRINBPD-UHFFFAOYSA-N 1 2 274.412 3.370 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC000891937439 618396121 /nfs/dbraw/zinc/39/61/21/618396121.db2.gz JKOQZVBCRINBPD-UHFFFAOYSA-N 1 2 274.412 3.370 20 30 CGEDLO CC1(C)C[N@H+](Cc2csc(C#N)c2)C(C)(C)CO1 ZINC000892064014 618512021 /nfs/dbraw/zinc/51/20/21/618512021.db2.gz TZWMSHDWQPWHGQ-UHFFFAOYSA-N 1 2 264.394 3.009 20 30 CGEDLO CC1(C)C[N@@H+](Cc2csc(C#N)c2)C(C)(C)CO1 ZINC000892064014 618512025 /nfs/dbraw/zinc/51/20/25/618512025.db2.gz TZWMSHDWQPWHGQ-UHFFFAOYSA-N 1 2 264.394 3.009 20 30 CGEDLO CCSCCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926363293 618562710 /nfs/dbraw/zinc/56/27/10/618562710.db2.gz XGDVEUFOVUEHJY-AWEZNQCLSA-N 1 2 278.421 3.448 20 30 CGEDLO CCOc1cccc(/C=N\Cc2ccn3cc[nH+]c3c2)c1O ZINC000255498766 618615140 /nfs/dbraw/zinc/61/51/40/618615140.db2.gz HLSIZPCYPRMFHU-PDGQHHTCSA-N 1 2 295.342 3.058 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3\Cc4c(cccc4O)C3=O)n2c1 ZINC000255682475 618777018 /nfs/dbraw/zinc/77/70/18/618777018.db2.gz GTGZHOHIZCXTFE-KPKJPENVSA-N 1 2 290.322 3.171 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(C#N)c1O ZINC000926695650 618827017 /nfs/dbraw/zinc/82/70/17/618827017.db2.gz GBQWEJZRDPUNCP-DZGCQCFKSA-N 1 2 286.375 3.016 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000892912520 618952016 /nfs/dbraw/zinc/95/20/16/618952016.db2.gz VASUGJLXCDYCKN-DYVFJYSZSA-N 1 2 298.365 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008221762 619066948 /nfs/dbraw/zinc/06/69/48/619066948.db2.gz ADOSCNXWFDSEHU-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008221762 619066949 /nfs/dbraw/zinc/06/69/49/619066949.db2.gz ADOSCNXWFDSEHU-KGLIPLIRSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008283532 619076283 /nfs/dbraw/zinc/07/62/83/619076283.db2.gz VMMBSJVYZICXIX-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008283532 619076284 /nfs/dbraw/zinc/07/62/84/619076284.db2.gz VMMBSJVYZICXIX-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1csc(CCC(C)C)n1)[C@H]1CCCO1 ZINC000775789171 619101216 /nfs/dbraw/zinc/10/12/16/619101216.db2.gz KRPHOIHNZBRIJD-HUUCEWRRSA-N 1 2 292.448 3.002 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(C)ccnc1N ZINC000894003929 619350624 /nfs/dbraw/zinc/35/06/24/619350624.db2.gz UXDFRXSUQTUBCB-UHFFFAOYSA-N 1 2 274.412 3.124 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)ccnc1N ZINC000894003929 619350627 /nfs/dbraw/zinc/35/06/27/619350627.db2.gz UXDFRXSUQTUBCB-UHFFFAOYSA-N 1 2 274.412 3.124 20 30 CGEDLO N#Cc1cnc(Cl)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC000877579785 619411129 /nfs/dbraw/zinc/41/11/29/619411129.db2.gz BVUGWBBUFUSHQS-UHFFFAOYSA-N 1 2 275.783 3.373 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000877652720 619414973 /nfs/dbraw/zinc/41/49/73/619414973.db2.gz MGBIXHNFQJYWCI-UHFFFAOYSA-N 1 2 285.725 3.228 20 30 CGEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000877652720 619414978 /nfs/dbraw/zinc/41/49/78/619414978.db2.gz MGBIXHNFQJYWCI-UHFFFAOYSA-N 1 2 285.725 3.228 20 30 CGEDLO Cc1ccc(C)c(CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000048376219 619486871 /nfs/dbraw/zinc/48/68/71/619486871.db2.gz NJLISKAAQWPUAG-UHFFFAOYSA-N 1 2 272.323 3.280 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1ccco1)C(=O)OCC ZINC000895597105 619858047 /nfs/dbraw/zinc/85/80/47/619858047.db2.gz FLEFGWZAAPHAEH-ZFWWWQNUSA-N 1 2 279.380 3.088 20 30 CGEDLO N#Cc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)n1 ZINC000895690689 619870772 /nfs/dbraw/zinc/87/07/72/619870772.db2.gz KGGCWOXPKOYHFF-SJORKVTESA-N 1 2 281.334 3.068 20 30 CGEDLO CCn1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502353 620018275 /nfs/dbraw/zinc/01/82/75/620018275.db2.gz XSPGQVFJTOQIJE-OAHLLOKOSA-N 1 2 294.402 3.306 20 30 CGEDLO CCn1cc(C[N@H+]2CCC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000896502353 620018278 /nfs/dbraw/zinc/01/82/78/620018278.db2.gz XSPGQVFJTOQIJE-OAHLLOKOSA-N 1 2 294.402 3.306 20 30 CGEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCOC2(CCC2)C1 ZINC000840708566 620096070 /nfs/dbraw/zinc/09/60/70/620096070.db2.gz YFMAVTMLOWJLKD-LVLBFHFTSA-N 1 2 259.349 3.160 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CCC[C@@H]2CCOC2)c1O ZINC000840708878 620097458 /nfs/dbraw/zinc/09/74/58/620097458.db2.gz FJHFXBUCSMCSKJ-VVBXCHJUSA-N 1 2 277.364 3.027 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897591272 620405422 /nfs/dbraw/zinc/40/54/22/620405422.db2.gz JKRKXWITOAWRHE-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)o1 ZINC000897591272 620405423 /nfs/dbraw/zinc/40/54/23/620405423.db2.gz JKRKXWITOAWRHE-QGZVFWFLSA-N 1 2 282.343 3.033 20 30 CGEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)c(F)c1 ZINC000897624766 620412381 /nfs/dbraw/zinc/41/23/81/620412381.db2.gz XDGFWJDDZRYMLO-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(F)c1 ZINC000897624766 620412382 /nfs/dbraw/zinc/41/23/82/620412382.db2.gz XDGFWJDDZRYMLO-UHFFFAOYSA-N 1 2 290.363 3.399 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)o1)Cc1cc(C#N)cs1 ZINC000897625941 620412425 /nfs/dbraw/zinc/41/24/25/620412425.db2.gz PUQGEXPPJPQPQF-UHFFFAOYSA-N 1 2 266.753 3.498 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)o1)Cc1cc(C#N)cs1 ZINC000897625941 620412429 /nfs/dbraw/zinc/41/24/29/620412429.db2.gz PUQGEXPPJPQPQF-UHFFFAOYSA-N 1 2 266.753 3.498 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000989512779 620516331 /nfs/dbraw/zinc/51/63/31/620516331.db2.gz SSLZDIVEZJQECZ-CTYIDZIISA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000989512779 620516333 /nfs/dbraw/zinc/51/63/33/620516333.db2.gz SSLZDIVEZJQECZ-CTYIDZIISA-N 1 2 298.858 3.100 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc(C#N)c1O ZINC000927014589 620560890 /nfs/dbraw/zinc/56/08/90/620560890.db2.gz PAJKMCWIUXYCOU-NVXWUHKLSA-N 1 2 288.391 3.264 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CCCCC1 ZINC000898502184 620594696 /nfs/dbraw/zinc/59/46/96/620594696.db2.gz BGEZXCVPWYYTOP-HNNXBMFYSA-N 1 2 296.430 3.063 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CCCCC1 ZINC000898502184 620594699 /nfs/dbraw/zinc/59/46/99/620594699.db2.gz BGEZXCVPWYYTOP-HNNXBMFYSA-N 1 2 296.430 3.063 20 30 CGEDLO Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1c[nH+]cn1C ZINC000901457355 620893520 /nfs/dbraw/zinc/89/35/20/620893520.db2.gz KBYVTVLLLOUJDU-SREVYHEPSA-N 1 2 289.404 3.379 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\CCOc2ccc(F)cc2C1=O ZINC000901455158 620893564 /nfs/dbraw/zinc/89/35/64/620893564.db2.gz YZYHMJDWFHUXMB-YRNVUSSQSA-N 1 2 286.306 3.091 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)cc(C)c1 ZINC000901473366 620898068 /nfs/dbraw/zinc/89/80/68/620898068.db2.gz FTQMXIPNDGYLMQ-WAYWQWQTSA-N 1 2 254.333 3.416 20 30 CGEDLO COc1cccc2c1CC/C(=C\c1[nH]c(C)c(C)[nH+]1)C2=O ZINC000901505209 620903767 /nfs/dbraw/zinc/90/37/67/620903767.db2.gz UBSMAGIYTXDRNN-FMIVXFBMSA-N 1 2 282.343 3.248 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(F)cc1N(C)C ZINC000901483995 620908912 /nfs/dbraw/zinc/90/89/12/620908912.db2.gz ZMLIAXRNIBXTKQ-VURMDHGXSA-N 1 2 287.338 3.004 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1cc(C#N)ccn1 ZINC000902878696 621482109 /nfs/dbraw/zinc/48/21/09/621482109.db2.gz JSYPHSYZDVITDV-MEBBXXQBSA-N 1 2 299.761 3.391 20 30 CGEDLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cc(C#N)ccn1 ZINC000902929075 621498410 /nfs/dbraw/zinc/49/84/10/621498410.db2.gz PRKOAIWIYHKFFM-GFCCVEGCSA-N 1 2 266.348 3.192 20 30 CGEDLO N#CC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CCC1 ZINC000903032244 621535052 /nfs/dbraw/zinc/53/50/52/621535052.db2.gz HEPLENDVGNBARY-ZDUSSCGKSA-N 1 2 262.303 3.236 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)c1cccc(C#N)c1O ZINC000903356918 621713980 /nfs/dbraw/zinc/71/39/80/621713980.db2.gz VJYQPCSKNJOSPI-JSGCOSHPSA-N 1 2 288.391 3.262 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2nccc3c2CCCC3)c1 ZINC000905411511 622069089 /nfs/dbraw/zinc/06/90/89/622069089.db2.gz JZPWBJINNJAQNJ-UHFFFAOYSA-N 1 2 278.359 3.034 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000912387982 622644547 /nfs/dbraw/zinc/64/45/47/622644547.db2.gz IIDQRPQIVTXZQA-OAHLLOKOSA-N 1 2 272.392 3.435 20 30 CGEDLO CCc1cnc(CC/[NH+]=C/c2cccc(OC)c2O)s1 ZINC000173990364 623353066 /nfs/dbraw/zinc/35/30/66/623353066.db2.gz GNKCPGIYIHEVLS-CXUHLZMHSA-N 1 2 290.388 3.081 20 30 CGEDLO C=C1CC(C)(C(=O)NCCn2c[nH+]cc2-c2ccccc2)C1 ZINC000913712055 623566749 /nfs/dbraw/zinc/56/67/49/623566749.db2.gz NLXNMIMBQOHZBB-UHFFFAOYSA-N 1 2 295.386 3.023 20 30 CGEDLO CC(=NNCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916344283 624148041 /nfs/dbraw/zinc/14/80/41/624148041.db2.gz QDQMGCWGRACIQC-UHFFFAOYSA-N 1 2 290.370 3.386 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)C(C)C ZINC000917068760 624233288 /nfs/dbraw/zinc/23/32/88/624233288.db2.gz ATEMKFZRCYHXTH-UHFFFAOYSA-N 1 2 287.363 3.142 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)C(C)C ZINC000917068760 624233290 /nfs/dbraw/zinc/23/32/90/624233290.db2.gz ATEMKFZRCYHXTH-UHFFFAOYSA-N 1 2 287.363 3.142 20 30 CGEDLO CC[C@@H]([NH2+]C1CCSCC1)c1cccc(C#N)c1O ZINC000925361012 626061808 /nfs/dbraw/zinc/06/18/08/626061808.db2.gz COOYFEXTIRVSEH-CQSZACIVSA-N 1 2 276.405 3.200 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC2(C3CC3)CC2)c(O)c1 ZINC000751522584 626393896 /nfs/dbraw/zinc/39/38/96/626393896.db2.gz GMMAAPWQWKVHDI-LICLKQGHSA-N 1 2 259.349 3.400 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC2(C3CC3)CC2)c(O)c1 ZINC000751522588 626393997 /nfs/dbraw/zinc/39/39/97/626393997.db2.gz GMMAAPWQWKVHDI-YVLHZVERSA-N 1 2 259.349 3.400 20 30 CGEDLO COC1CCC(CC/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000753996605 626471430 /nfs/dbraw/zinc/47/14/30/626471430.db2.gz XNLVQSUZJCJPLQ-GZTJUZNOSA-N 1 2 277.364 3.112 20 30 CGEDLO CC(=[NH+]Nc1ccnc2ccccc21)c1ccc(N)cc1C ZINC000758121550 626828319 /nfs/dbraw/zinc/82/83/19/626828319.db2.gz ZIMCFBCEZXUFMT-UHFFFAOYSA-N 1 2 290.370 3.383 20 30 CGEDLO C#CC[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1 ZINC000764171633 627197926 /nfs/dbraw/zinc/19/79/26/627197926.db2.gz NCGWXOQVRRDTQD-HNNXBMFYSA-N 1 2 288.354 3.389 20 30 CGEDLO C=C1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000769339470 627543906 /nfs/dbraw/zinc/54/39/06/627543906.db2.gz PXROEOFSOJRPIJ-UHFFFAOYSA-N 1 2 261.756 3.140 20 30 CGEDLO N#Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1Cl ZINC000770062712 627601023 /nfs/dbraw/zinc/60/10/23/627601023.db2.gz SBASJFQJEVJDBM-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C)o1 ZINC000770391803 627616657 /nfs/dbraw/zinc/61/66/57/627616657.db2.gz QANSBWGFZBLEQL-SFHVURJKSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C)o1 ZINC000770391803 627616662 /nfs/dbraw/zinc/61/66/62/627616662.db2.gz QANSBWGFZBLEQL-SFHVURJKSA-N 1 2 296.370 3.342 20 30 CGEDLO Clc1cccc(CNN=Cc2cccc3[nH+]ccn32)c1 ZINC000771098180 627682606 /nfs/dbraw/zinc/68/26/06/627682606.db2.gz KCHVQDSKNIPDMR-UHFFFAOYSA-N 1 2 284.750 3.111 20 30 CGEDLO C=CC[N@@H+](Cn1ncc(Br)c1C1CC1)C1CC1 ZINC000771643303 627724896 /nfs/dbraw/zinc/72/48/96/627724896.db2.gz ZZYFBSZZVXRPMP-UHFFFAOYSA-N 1 2 296.212 3.131 20 30 CGEDLO C=CC[N@H+](Cn1ncc(Br)c1C1CC1)C1CC1 ZINC000771643303 627724898 /nfs/dbraw/zinc/72/48/98/627724898.db2.gz ZZYFBSZZVXRPMP-UHFFFAOYSA-N 1 2 296.212 3.131 20 30 CGEDLO C=C(CC)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000773521351 627893928 /nfs/dbraw/zinc/89/39/28/627893928.db2.gz GJCSTECQALJJGV-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(CC)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000773521351 627893931 /nfs/dbraw/zinc/89/39/31/627893931.db2.gz GJCSTECQALJJGV-OAHLLOKOSA-N 1 2 261.365 3.189 20 30 CGEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000775795190 628137526 /nfs/dbraw/zinc/13/75/26/628137526.db2.gz UYPLPFYOKWCZFR-VNQPRFMTSA-N 1 2 296.370 3.173 20 30 CGEDLO CC(C)CN(CCC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000782500996 628650479 /nfs/dbraw/zinc/65/04/79/628650479.db2.gz ZDAUXQPLKGIFKX-UHFFFAOYSA-N 1 2 296.418 3.303 20 30 CGEDLO C=CCCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948621 628669539 /nfs/dbraw/zinc/66/95/39/628669539.db2.gz MQSADNAUXKAFKR-UHFFFAOYSA-N 1 2 283.169 3.052 20 30 CGEDLO Cc1cc2ncn(C[N@@H+]3CCC[C@@](C)(C#N)C3)c2cc1C ZINC000784020539 628767487 /nfs/dbraw/zinc/76/74/87/628767487.db2.gz GPCBBDCWPIBHOR-KRWDZBQOSA-N 1 2 282.391 3.236 20 30 CGEDLO Cc1cc2ncn(C[N@H+]3CCC[C@@](C)(C#N)C3)c2cc1C ZINC000784020539 628767492 /nfs/dbraw/zinc/76/74/92/628767492.db2.gz GPCBBDCWPIBHOR-KRWDZBQOSA-N 1 2 282.391 3.236 20 30 CGEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CC(C)(C)C#N ZINC000785097381 628852026 /nfs/dbraw/zinc/85/20/26/628852026.db2.gz PGHBLWLIHAYWDI-UHFFFAOYSA-N 1 2 297.358 3.164 20 30 CGEDLO CCCCCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000786739665 628959846 /nfs/dbraw/zinc/95/98/46/628959846.db2.gz WTNUYKUBFKREMH-OAHLLOKOSA-N 1 2 291.439 3.312 20 30 CGEDLO C=C[C@@H](CC(=O)OCCCc1[nH+]ccn1C)c1ccccc1 ZINC000789792480 629167628 /nfs/dbraw/zinc/16/76/28/629167628.db2.gz WOCDETXPQMRYOB-HNNXBMFYSA-N 1 2 298.386 3.256 20 30 CGEDLO CC(C)N(C)c1ccc(C=[NH+]OCCC(F)(F)F)cn1 ZINC000790177005 629189309 /nfs/dbraw/zinc/18/93/09/629189309.db2.gz XLHDTGNZGQRVRS-UHFFFAOYSA-N 1 2 289.301 3.229 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)cc1C(F)(F)F ZINC000790300330 629200885 /nfs/dbraw/zinc/20/08/85/629200885.db2.gz RVFRRNFBTAALEQ-UHFFFAOYSA-N 1 2 286.232 3.024 20 30 CGEDLO CC(=NNc1[nH+]ccn1C)c1ccc(Cl)c(F)c1 ZINC000790299863 629201011 /nfs/dbraw/zinc/20/10/11/629201011.db2.gz JAZXTBSNFSZXIT-UHFFFAOYSA-N 1 2 266.707 3.049 20 30 CGEDLO CC(C)CCOc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790299362 629201258 /nfs/dbraw/zinc/20/12/58/629201258.db2.gz CUGJNLUCZUYROE-UHFFFAOYSA-N 1 2 286.379 3.291 20 30 CGEDLO N#Cc1c(C[NH+]2CCC(F)(F)CC2)cn2ccccc12 ZINC000796539851 629797877 /nfs/dbraw/zinc/79/78/77/629797877.db2.gz MLQIJTYFBHVPGI-UHFFFAOYSA-N 1 2 275.302 3.042 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2CCC23CCOCC3)c1 ZINC000864348272 629817856 /nfs/dbraw/zinc/81/78/56/629817856.db2.gz IEYOYRGKFPOIGD-JVVDOCDTSA-N 1 2 289.375 3.027 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@@H]1C/[NH+]=C/c1ccc(OCC)cc1O ZINC000797784927 629981677 /nfs/dbraw/zinc/98/16/77/629981677.db2.gz ODISNTRJADEPAS-WBEDEOOQSA-N 1 2 289.375 3.191 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000798390925 630052846 /nfs/dbraw/zinc/05/28/46/630052846.db2.gz YBQVZBKRYNRHQX-OAHLLOKOSA-N 1 2 298.390 3.026 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2cccc3[nH]ccc32)c1O ZINC000800720259 630295740 /nfs/dbraw/zinc/29/57/40/630295740.db2.gz BFTXWGJVOUNAJA-WQRHYEAKSA-N 1 2 280.327 3.241 20 30 CGEDLO C=CCOCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806158689 630551219 /nfs/dbraw/zinc/55/12/19/630551219.db2.gz PGFKCOWQIBVEIJ-CYBMUJFWSA-N 1 2 269.772 3.289 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCCSC2)c1 ZINC000806551118 630565651 /nfs/dbraw/zinc/56/56/51/630565651.db2.gz IQPNPDNPAPVAMO-HMHNVIDESA-N 1 2 279.405 3.353 20 30 CGEDLO CCCCCCCCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000808755603 630675556 /nfs/dbraw/zinc/67/55/56/630675556.db2.gz SRICOAMDLYMBQU-UHFFFAOYSA-N 1 2 294.443 3.440 20 30 CGEDLO C#Cc1ccc(CNc2ccc([NH+](C)C)cc2)cc1 ZINC000809598578 630757554 /nfs/dbraw/zinc/75/75/54/630757554.db2.gz OTZURYYSGRBTMQ-UHFFFAOYSA-N 1 2 250.345 3.346 20 30 CGEDLO CC(=[NH+]OCc1ccccc1)c1cc(N)ccc1F ZINC000814792863 631640879 /nfs/dbraw/zinc/64/08/79/631640879.db2.gz YGBLRSXRMKUWLE-UHFFFAOYSA-N 1 2 258.296 3.349 20 30 CGEDLO CN(C)c1ncc(C=[NH+]Nc2cccc3ccccc32)cn1 ZINC000814822831 631649306 /nfs/dbraw/zinc/64/93/06/631649306.db2.gz GFNGVRZKSNJDCL-UHFFFAOYSA-N 1 2 291.358 3.142 20 30 CGEDLO CCc1cnc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000814841731 631654047 /nfs/dbraw/zinc/65/40/47/631654047.db2.gz VEDPJXORRWYSLQ-UHFFFAOYSA-N 1 2 282.372 3.122 20 30 CGEDLO CC(=[NH+]OCc1cccnc1)c1ccc(Cl)c(N)c1 ZINC000814883861 631663768 /nfs/dbraw/zinc/66/37/68/631663768.db2.gz DXHCTRGOZTXZGN-UHFFFAOYSA-N 1 2 275.739 3.258 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1O ZINC000818356824 632314005 /nfs/dbraw/zinc/31/40/05/632314005.db2.gz RHYAIMXEQGMMBA-WCABBAIRSA-N 1 2 266.291 3.013 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)cc(F)c1F ZINC000844324680 635870033 /nfs/dbraw/zinc/87/00/33/635870033.db2.gz OSVSDSSPSOHRGH-MRVPVSSYSA-N 1 2 288.135 3.181 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(F)c1F ZINC000844324680 635870034 /nfs/dbraw/zinc/87/00/34/635870034.db2.gz OSVSDSSPSOHRGH-MRVPVSSYSA-N 1 2 288.135 3.181 20 30 CGEDLO C[C@@H]([NH2+]CCCOC1CCCC1)c1cccc(C#N)c1O ZINC000866251689 633045874 /nfs/dbraw/zinc/04/58/74/633045874.db2.gz ZOJGKYHNJNQVAX-CYBMUJFWSA-N 1 2 288.391 3.264 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(C#N)c1O ZINC000866256845 633047884 /nfs/dbraw/zinc/04/78/84/633047884.db2.gz ADBPBSAIENMBDK-CYBMUJFWSA-N 1 2 295.386 3.181 20 30 CGEDLO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866268979 633054216 /nfs/dbraw/zinc/05/42/16/633054216.db2.gz BWWBSRLUVMURPV-QWRGUYRKSA-N 1 2 264.394 3.056 20 30 CGEDLO C=CCOc1ccc(OC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000844412497 635893898 /nfs/dbraw/zinc/89/38/98/635893898.db2.gz XTLUWQNYHXJCIL-ZDUSSCGKSA-N 1 2 286.331 3.005 20 30 CGEDLO CCOC1CC(CC[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866345995 633091063 /nfs/dbraw/zinc/09/10/63/633091063.db2.gz DIUWWCRWURXGRX-DNOWBOINSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@@H]([NH2+]CCCOC(C)(C)C)c1cccc(C#N)c1O ZINC000866388613 633116556 /nfs/dbraw/zinc/11/65/56/633116556.db2.gz DIROVPQNAJBDCU-GFCCVEGCSA-N 1 2 276.380 3.120 20 30 CGEDLO CCCn1cc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000876598516 634865314 /nfs/dbraw/zinc/86/53/14/634865314.db2.gz NVYBOMBJJVRIRW-AWEZNQCLSA-N 1 2 297.406 3.143 20 30 CGEDLO CCCn1cc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000876598516 634865319 /nfs/dbraw/zinc/86/53/19/634865319.db2.gz NVYBOMBJJVRIRW-AWEZNQCLSA-N 1 2 297.406 3.143 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000828282618 633602015 /nfs/dbraw/zinc/60/20/15/633602015.db2.gz GCDWDAXQFBADFX-CYBMUJFWSA-N 1 2 299.324 3.221 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000828282618 633602018 /nfs/dbraw/zinc/60/20/18/633602018.db2.gz GCDWDAXQFBADFX-CYBMUJFWSA-N 1 2 299.324 3.221 20 30 CGEDLO C=C[C@@H](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000829527169 633746700 /nfs/dbraw/zinc/74/67/00/633746700.db2.gz ZBGZYEFCBMYROM-RDJZCZTQSA-N 1 2 297.402 3.343 20 30 CGEDLO C#CC[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000829809677 633793031 /nfs/dbraw/zinc/79/30/31/633793031.db2.gz DTBGILOYJSISOW-JTQLQIEISA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000829809677 633793033 /nfs/dbraw/zinc/79/30/33/633793033.db2.gz DTBGILOYJSISOW-JTQLQIEISA-N 1 2 254.786 3.032 20 30 CGEDLO C#CC1CC[NH+](Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000830326677 633850088 /nfs/dbraw/zinc/85/00/88/633850088.db2.gz YHYVNBLHXDWZKH-UHFFFAOYSA-N 1 2 269.175 3.234 20 30 CGEDLO N#CCC[C@@H]([NH2+]Cc1ccc(Cl)nn1)c1ccccc1 ZINC000877116156 634988695 /nfs/dbraw/zinc/98/86/95/634988695.db2.gz KGUYVJZZMBMPDV-CQSZACIVSA-N 1 2 286.766 3.265 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877482515 635054664 /nfs/dbraw/zinc/05/46/64/635054664.db2.gz GOUDGLWAONMZJJ-CYBMUJFWSA-N 1 2 261.756 3.147 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877482515 635054689 /nfs/dbraw/zinc/05/46/89/635054689.db2.gz GOUDGLWAONMZJJ-CYBMUJFWSA-N 1 2 261.756 3.147 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)n1 ZINC000877712183 635161519 /nfs/dbraw/zinc/16/15/19/635161519.db2.gz GXKXZQDWRNFJDX-SFHVURJKSA-N 1 2 295.361 3.414 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)n1 ZINC000877712183 635161524 /nfs/dbraw/zinc/16/15/24/635161524.db2.gz GXKXZQDWRNFJDX-SFHVURJKSA-N 1 2 295.361 3.414 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878513431 635538469 /nfs/dbraw/zinc/53/84/69/635538469.db2.gz BFDBYRNWFMROAG-UHFFFAOYSA-N 1 2 260.381 3.033 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878513431 635538476 /nfs/dbraw/zinc/53/84/76/635538476.db2.gz BFDBYRNWFMROAG-UHFFFAOYSA-N 1 2 260.381 3.033 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc2ccccc2c(Cl)n1 ZINC000878821329 635637263 /nfs/dbraw/zinc/63/72/63/635637263.db2.gz XDCWAQWSOGOPTR-JTQLQIEISA-N 1 2 259.740 3.280 20 30 CGEDLO C=C(Cl)C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551062 635809039 /nfs/dbraw/zinc/80/90/39/635809039.db2.gz KFNLBCPMEAUFJP-UHFFFAOYSA-N 1 2 281.787 3.269 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844142237 635826117 /nfs/dbraw/zinc/82/61/17/635826117.db2.gz CNHRKVJPASZQNE-OAHLLOKOSA-N 1 2 289.423 3.088 20 30 CGEDLO C#CC(C)(C)[N@H+](C)Cc1cscc1Br ZINC000846875241 636255688 /nfs/dbraw/zinc/25/56/88/636255688.db2.gz QOACVNVAFATCDN-UHFFFAOYSA-N 1 2 272.211 3.354 20 30 CGEDLO C#CC(C)(C)[N@@H+](C)Cc1cscc1Br ZINC000846875241 636255691 /nfs/dbraw/zinc/25/56/91/636255691.db2.gz QOACVNVAFATCDN-UHFFFAOYSA-N 1 2 272.211 3.354 20 30 CGEDLO C[C@H](CC(=O)Nc1ccc(C2CC2)c(C#N)c1)n1cc[nH+]c1 ZINC000882310297 636310539 /nfs/dbraw/zinc/31/05/39/636310539.db2.gz YZBIHRBXMAFQIZ-GFCCVEGCSA-N 1 2 294.358 3.222 20 30 CGEDLO C#CCCC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000847863830 636475982 /nfs/dbraw/zinc/47/59/82/636475982.db2.gz COKGFECZIVDLNV-RDJZCZTQSA-N 1 2 287.403 3.415 20 30 CGEDLO C#CCCC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000847863830 636475984 /nfs/dbraw/zinc/47/59/84/636475984.db2.gz COKGFECZIVDLNV-RDJZCZTQSA-N 1 2 287.403 3.415 20 30 CGEDLO C[C@@]1(c2ccccc2)CCC(N=NCCCn2cc[nH+]c2)C1 ZINC000848417116 636571727 /nfs/dbraw/zinc/57/17/27/636571727.db2.gz LGSFPYXBBKUURG-GOSISDBHSA-N 1 2 296.418 3.361 20 30 CGEDLO CC(C)CC[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848416206 636571748 /nfs/dbraw/zinc/57/17/48/636571748.db2.gz CMVTXHFXCZIRDW-OAHLLOKOSA-N 1 2 276.428 3.455 20 30 CGEDLO CC(C[C@@H](C)CC(C)C)=NNCCCn1cc[nH+]c1 ZINC000848418884 636572410 /nfs/dbraw/zinc/57/24/10/636572410.db2.gz RCCXZWXJKHZXGT-AWEZNQCLSA-N 1 2 264.417 3.311 20 30 CGEDLO CCC[C@@H](C)C(CC)=NNCCCn1cc[nH+]c1 ZINC000848417826 636573178 /nfs/dbraw/zinc/57/31/78/636573178.db2.gz GBOIOWOGGYGINL-CYBMUJFWSA-N 1 2 250.390 3.065 20 30 CGEDLO C=CCCCCC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[nH]1 ZINC000848558981 636605958 /nfs/dbraw/zinc/60/59/58/636605958.db2.gz WTIRAPZBJFLHAO-UONOGXRCSA-N 1 2 292.427 3.271 20 30 CGEDLO CC[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(C#N)cc1 ZINC000883312061 636662212 /nfs/dbraw/zinc/66/22/12/636662212.db2.gz SIGQUAFCLHKFHI-MRXNPFEDSA-N 1 2 292.386 3.468 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCC2(CSC)CC2)c1 ZINC000849170962 636764050 /nfs/dbraw/zinc/76/40/50/636764050.db2.gz XQEHRXBCLWVORK-MHWRWJLKSA-N 1 2 279.405 3.353 20 30 CGEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(F)cc1 ZINC000133157116 636877487 /nfs/dbraw/zinc/87/74/87/636877487.db2.gz BPMAFFUATIEGHL-CMDGGOBGSA-N 1 2 266.275 3.370 20 30 CGEDLO Cc1[nH]c(CNc2ccc(OC(C)C)c(C#N)c2)[nH+]c1C ZINC000850323653 637017467 /nfs/dbraw/zinc/01/74/67/637017467.db2.gz SZWHZRGYLGUXMQ-UHFFFAOYSA-N 1 2 284.363 3.298 20 30 CGEDLO C[C@H](c1ccncc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328809 637637021 /nfs/dbraw/zinc/63/70/21/637637021.db2.gz NLFGKARUMOYOLO-CRAIPNDOSA-N 1 2 292.386 3.095 20 30 CGEDLO C[C@H](c1ccncc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328809 637637027 /nfs/dbraw/zinc/63/70/27/637637027.db2.gz NLFGKARUMOYOLO-CRAIPNDOSA-N 1 2 292.386 3.095 20 30 CGEDLO C=CC[N@H+](Cc1ccc(Cl)nc1Cl)[C@@H](C)COC ZINC000852356962 637642104 /nfs/dbraw/zinc/64/21/04/637642104.db2.gz SYIFOLLSKIBTHO-JTQLQIEISA-N 1 2 289.206 3.411 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(Cl)nc1Cl)[C@@H](C)COC ZINC000852356962 637642109 /nfs/dbraw/zinc/64/21/09/637642109.db2.gz SYIFOLLSKIBTHO-JTQLQIEISA-N 1 2 289.206 3.411 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@H]2CC(C)(C)CO2)c1O ZINC000887270771 637787253 /nfs/dbraw/zinc/78/72/53/637787253.db2.gz TWCXBYHCHKOQBR-NWRYFCBHSA-N 1 2 277.364 3.025 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccn(C(C)C)n1 ZINC000853361275 637825411 /nfs/dbraw/zinc/82/54/11/637825411.db2.gz NZSUDHQYIMLLOJ-UHFFFAOYSA-N 1 2 298.390 3.263 20 30 CGEDLO Cc1ccc(F)cc1N[NH+]=C1CCCc2nc(N)ccc21 ZINC000853393333 637833303 /nfs/dbraw/zinc/83/33/03/637833303.db2.gz CLEJSLREXWVEJM-UHFFFAOYSA-N 1 2 284.338 3.264 20 30 CGEDLO C(=NOCC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000853439905 637844008 /nfs/dbraw/zinc/84/40/08/637844008.db2.gz OMRJYFPRKZEOET-UHFFFAOYSA-N 1 2 255.321 3.023 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)C[C@@H]1CCOC1 ZINC000853446863 637846190 /nfs/dbraw/zinc/84/61/90/637846190.db2.gz PVPHBFRYGMFCEF-CABCVRRESA-N 1 2 288.391 3.101 20 30 CGEDLO C=C(C)CCc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000924066986 638294329 /nfs/dbraw/zinc/29/43/29/638294329.db2.gz IWMQYUYKXFQLAQ-CYBMUJFWSA-N 1 2 274.368 3.410 20 30 CGEDLO CCC(F)(F)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000858259567 638667282 /nfs/dbraw/zinc/66/72/82/638667282.db2.gz VHJFTRINLNGHDF-UHFFFAOYSA-N 1 2 281.350 3.171 20 30 CGEDLO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(C#N)c1O ZINC000926545914 638783773 /nfs/dbraw/zinc/78/37/73/638783773.db2.gz YFPZXGQEOULNQV-BBRMVZONSA-N 1 2 288.391 3.121 20 30 CGEDLO CC[C@H]([NH2+]CC1SCCS1)c1cccc(C#N)c1O ZINC000926725554 638804220 /nfs/dbraw/zinc/80/42/20/638804220.db2.gz KGAOWHAAFSYODF-LBPRGKRZSA-N 1 2 294.445 3.111 20 30 CGEDLO CC[C@@H]([NH2+]CCC(C)(C)OC)c1cccc(C#N)c1O ZINC000926798256 638813376 /nfs/dbraw/zinc/81/33/76/638813376.db2.gz MFPDDHJYKBNFEH-CQSZACIVSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(Br)n1 ZINC000926874963 638820139 /nfs/dbraw/zinc/82/01/39/638820139.db2.gz VLZGFDPRYXWCMT-SECBINFHSA-N 1 2 282.185 3.044 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)cc1F ZINC000927109793 638842955 /nfs/dbraw/zinc/84/29/55/638842955.db2.gz XPUWOFQZXPDXDA-LLVKDONJSA-N 1 2 298.365 3.159 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000930087186 638973149 /nfs/dbraw/zinc/97/31/49/638973149.db2.gz KTFJUJRFPMEKMA-NSHDSACASA-N 1 2 273.767 3.336 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000930087186 638973152 /nfs/dbraw/zinc/97/31/52/638973152.db2.gz KTFJUJRFPMEKMA-NSHDSACASA-N 1 2 273.767 3.336 20 30 CGEDLO C=CCCCCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933341049 639439752 /nfs/dbraw/zinc/43/97/52/639439752.db2.gz BVNKVZJRHZAFIL-UHFFFAOYSA-N 1 2 271.364 3.381 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3ccccc3F)CCO2)cc1 ZINC000933621666 639470323 /nfs/dbraw/zinc/47/03/23/639470323.db2.gz FSPXGHILRRAUQG-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc1 ZINC000933621666 639470327 /nfs/dbraw/zinc/47/03/27/639470327.db2.gz FSPXGHILRRAUQG-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO CCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)nc1 ZINC000933775037 639488976 /nfs/dbraw/zinc/48/89/76/639488976.db2.gz IQLKHBWHNQDYOA-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)nc1 ZINC000933775037 639488980 /nfs/dbraw/zinc/48/89/80/639488980.db2.gz IQLKHBWHNQDYOA-UHFFFAOYSA-N 1 2 287.388 3.045 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000934512821 639622496 /nfs/dbraw/zinc/62/24/96/639622496.db2.gz YSUAGIJPRIJRLH-LBPRGKRZSA-N 1 2 272.373 3.391 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000934512821 639622504 /nfs/dbraw/zinc/62/25/04/639622504.db2.gz YSUAGIJPRIJRLH-LBPRGKRZSA-N 1 2 272.373 3.391 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934513053 639623097 /nfs/dbraw/zinc/62/30/97/639623097.db2.gz GCAPXPSLMZZZED-INIZCTEOSA-N 1 2 284.403 3.038 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934513053 639623101 /nfs/dbraw/zinc/62/31/01/639623101.db2.gz GCAPXPSLMZZZED-INIZCTEOSA-N 1 2 284.403 3.038 20 30 CGEDLO Cc1c(C(=O)/C=C/c2cccc3[nH+]ccn32)cnn1C(C)C ZINC000188890721 640158119 /nfs/dbraw/zinc/15/81/19/640158119.db2.gz ZOEPDKAQLKROAO-BQYQJAHWSA-N 1 2 294.358 3.316 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CCCCCCC2)C1 ZINC000950839048 640358607 /nfs/dbraw/zinc/35/86/07/640358607.db2.gz PLFLJMQHOXRRRG-UHFFFAOYSA-N 1 2 292.467 3.456 20 30 CGEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccs1 ZINC000080306557 640465403 /nfs/dbraw/zinc/46/54/03/640465403.db2.gz CLBYHFFSABNECI-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO C#CCOc1ccccc1CNc1ccc(C)[nH+]c1C ZINC000094664737 640800471 /nfs/dbraw/zinc/80/04/71/640800471.db2.gz HTAPJHVGQIQIPI-UHFFFAOYSA-N 1 2 266.344 3.323 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007607019 640944116 /nfs/dbraw/zinc/94/41/16/640944116.db2.gz JMGKSSFORRQQOG-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007607019 640944117 /nfs/dbraw/zinc/94/41/17/640944117.db2.gz JMGKSSFORRQQOG-CABCVRRESA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749813 640974892 /nfs/dbraw/zinc/97/48/92/640974892.db2.gz PCBASVDQHYMPOW-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014749813 640974894 /nfs/dbraw/zinc/97/48/94/640974894.db2.gz PCBASVDQHYMPOW-AWEZNQCLSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)CNc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001155661225 805601302 /nfs/dbraw/zinc/60/13/02/805601302.db2.gz YWVVFHUGEXUQAL-UHFFFAOYSA-N 1 2 258.321 3.240 20 30 CGEDLO CCOc1cccc(CCNc2cc(CC#N)cc[nH+]2)c1 ZINC001155871149 805618096 /nfs/dbraw/zinc/61/80/96/805618096.db2.gz IAHNYXIGMFCNLH-UHFFFAOYSA-N 1 2 281.359 3.201 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3C[C@H](F)C3)c2c1 ZINC001157453030 805813525 /nfs/dbraw/zinc/81/35/25/805813525.db2.gz QCKNCJFPPXRSLR-AULYBMBSSA-N 1 2 255.296 3.266 20 30 CGEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558330 806065177 /nfs/dbraw/zinc/06/51/77/806065177.db2.gz TWQJDOJTUVATHI-HOTGVXAUSA-N 1 2 295.373 3.123 20 30 CGEDLO C=C[C@](C)(O)C[N@H+]1CC[C@@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558330 806065188 /nfs/dbraw/zinc/06/51/88/806065188.db2.gz TWQJDOJTUVATHI-HOTGVXAUSA-N 1 2 295.373 3.123 20 30 CGEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]1C(=O)OC ZINC001252979652 806145180 /nfs/dbraw/zinc/14/51/80/806145180.db2.gz MAHDBGFGWSZUTM-HOTGVXAUSA-N 1 2 299.455 3.125 20 30 CGEDLO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H]1C(=O)OC ZINC001252979652 806145183 /nfs/dbraw/zinc/14/51/83/806145183.db2.gz MAHDBGFGWSZUTM-HOTGVXAUSA-N 1 2 299.455 3.125 20 30 CGEDLO CC(C)(C#N)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345642 806383250 /nfs/dbraw/zinc/38/32/50/806383250.db2.gz DHWUWZYANXQZOF-UHFFFAOYSA-N 1 2 285.366 3.421 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCc3nc4ccccc4o3)c2)CC1 ZINC001161967877 806492610 /nfs/dbraw/zinc/49/26/10/806492610.db2.gz VPJRPEOLENOLOT-UHFFFAOYSA-N 1 2 290.326 3.390 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001255154881 806554789 /nfs/dbraw/zinc/55/47/89/806554789.db2.gz LXBGMTPEGLBSKJ-QWHCGFSZSA-N 1 2 286.297 3.021 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001255161827 806559669 /nfs/dbraw/zinc/55/96/69/806559669.db2.gz ALAMGPDORLRWJZ-BXUZGUMPSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@@H](CC#N)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC001255165384 806563109 /nfs/dbraw/zinc/56/31/09/806563109.db2.gz XHDDXMFLMIRHKP-INIZCTEOSA-N 1 2 288.366 3.413 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255175499 806568925 /nfs/dbraw/zinc/56/89/25/806568925.db2.gz POGOSPQQTXFCLN-STQMWFEESA-N 1 2 276.384 3.065 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001255175499 806568928 /nfs/dbraw/zinc/56/89/28/806568928.db2.gz POGOSPQQTXFCLN-STQMWFEESA-N 1 2 276.384 3.065 20 30 CGEDLO CC(C)(C)C(=[NH2+])Nc1nc(Cl)nc2c(C#N)cccc12 ZINC001162656840 806641709 /nfs/dbraw/zinc/64/17/09/806641709.db2.gz DTJMSJXXFRWEEO-UHFFFAOYSA-N 1 2 287.754 3.012 20 30 CGEDLO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(F)c1 ZINC000122265107 798990049 /nfs/dbraw/zinc/99/00/49/798990049.db2.gz ZFKRRWJKRRDMQA-JTQLQIEISA-N 1 2 250.317 3.035 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C1CCN(c2ccccc2)CC1 ZINC000122204179 798991005 /nfs/dbraw/zinc/99/10/05/798991005.db2.gz XFQLBORCIXEPGN-RGEXLXHISA-N 1 2 280.371 3.480 20 30 CGEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1ccc(C)cc1)C(=O)OC ZINC001255783539 806748986 /nfs/dbraw/zinc/74/89/86/806748986.db2.gz HXHJFOLKYXRNCB-WMLDXEAASA-N 1 2 275.392 3.023 20 30 CGEDLO CCC[C@@H](C)CC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257463389 807168884 /nfs/dbraw/zinc/16/88/84/807168884.db2.gz MRJTWAWCNILDOI-UPJWGTAASA-N 1 2 275.458 3.042 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)CC(C)(C)c1ccccc1 ZINC000686728675 799735545 /nfs/dbraw/zinc/73/55/45/799735545.db2.gz NMAFHCCDBJDERV-UHFFFAOYSA-N 1 2 275.392 3.015 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)CC(C)(C)c1ccccc1 ZINC000686728675 799735548 /nfs/dbraw/zinc/73/55/48/799735548.db2.gz NMAFHCCDBJDERV-UHFFFAOYSA-N 1 2 275.392 3.015 20 30 CGEDLO CCC(C#N)(CC)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256288333 806855646 /nfs/dbraw/zinc/85/56/46/806855646.db2.gz WMCVWTIZBJUTMB-UHFFFAOYSA-N 1 2 295.427 3.058 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046778074 801324071 /nfs/dbraw/zinc/32/40/71/801324071.db2.gz ASGJXNRPCQOIIB-NOLJZWGESA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046778074 801324080 /nfs/dbraw/zinc/32/40/80/801324080.db2.gz ASGJXNRPCQOIIB-NOLJZWGESA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001110931941 802151154 /nfs/dbraw/zinc/15/11/54/802151154.db2.gz CHXFXIDXSIBVIW-MYPMTAMASA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001110931941 802151159 /nfs/dbraw/zinc/15/11/59/802151159.db2.gz CHXFXIDXSIBVIW-MYPMTAMASA-N 1 2 296.842 3.063 20 30 CGEDLO Cc1ccc2[nH+]cc(CNc3ccc(OCC#N)cc3)n2c1 ZINC001116326777 802330730 /nfs/dbraw/zinc/33/07/30/802330730.db2.gz CIDOVGQWOVZCAN-UHFFFAOYSA-N 1 2 292.342 3.157 20 30 CGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1ccc(CC)c[nH+]1 ZINC001120848799 802787107 /nfs/dbraw/zinc/78/71/07/802787107.db2.gz KOZOUGSUFLIREJ-UHFFFAOYSA-N 1 2 286.375 3.312 20 30 CGEDLO COc1ccc(-c2ccccc2Cn2cc[nH+]c2)c(C#N)c1 ZINC001243729136 802968571 /nfs/dbraw/zinc/96/85/71/802968571.db2.gz QZRZXDHHAXGVPN-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1C1=CC[C@@H](C#N)CC1 ZINC001243797792 803015829 /nfs/dbraw/zinc/01/58/29/803015829.db2.gz LOXFSXDNVAJCAJ-SNVBAGLBSA-N 1 2 253.305 3.279 20 30 CGEDLO COc1cc(C#N)ccc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001125474733 803063514 /nfs/dbraw/zinc/06/35/14/803063514.db2.gz BYDBTZYAPLKFQB-UHFFFAOYSA-N 1 2 295.342 3.139 20 30 CGEDLO N#CC1(c2cccc(-c3ccn4cc(N)[nH+]c4c3)c2)CC1 ZINC001244072421 803171608 /nfs/dbraw/zinc/17/16/08/803171608.db2.gz YHHJNJGNESJIAU-UHFFFAOYSA-N 1 2 274.327 3.139 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131951870 803362140 /nfs/dbraw/zinc/36/21/40/803362140.db2.gz SVQUBADDSPGCDB-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131951870 803362144 /nfs/dbraw/zinc/36/21/44/803362144.db2.gz SVQUBADDSPGCDB-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO COc1ccc(-c2cc(C)cn3cc[nH+]c23)cc1C#N ZINC001244709624 803508392 /nfs/dbraw/zinc/50/83/92/803508392.db2.gz ZABIEURWSRYPJN-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(Br)cs1 ZINC001137780801 803772921 /nfs/dbraw/zinc/77/29/21/803772921.db2.gz LXGVPYYRAQNHJW-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(Br)cs1 ZINC001137780801 803772928 /nfs/dbraw/zinc/77/29/28/803772928.db2.gz LXGVPYYRAQNHJW-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO Cc1cc(C[NH+]2CC(Oc3ccccc3C#N)C2)c(C)s1 ZINC001138571752 803973018 /nfs/dbraw/zinc/97/30/18/803973018.db2.gz VTZVIMNYQXHUJA-UHFFFAOYSA-N 1 2 298.411 3.500 20 30 CGEDLO CCn1nc(C)c(C[N@H+](CCC#N)C2CCCC2)c1C ZINC001138644408 803992296 /nfs/dbraw/zinc/99/22/96/803992296.db2.gz OHTIQRYIOBHGRG-UHFFFAOYSA-N 1 2 274.412 3.178 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](CCC#N)C2CCCC2)c1C ZINC001138644408 803992304 /nfs/dbraw/zinc/99/23/04/803992304.db2.gz OHTIQRYIOBHGRG-UHFFFAOYSA-N 1 2 274.412 3.178 20 30 CGEDLO COc1ccc(C[N@@H+]2CC[C@H](C#N)C2)c2c(OC)cccc12 ZINC001138752899 804030058 /nfs/dbraw/zinc/03/00/58/804030058.db2.gz YHVZIVRJVZGEBT-CYBMUJFWSA-N 1 2 296.370 3.202 20 30 CGEDLO COc1ccc(C[N@H+]2CC[C@H](C#N)C2)c2c(OC)cccc12 ZINC001138752899 804030066 /nfs/dbraw/zinc/03/00/66/804030066.db2.gz YHVZIVRJVZGEBT-CYBMUJFWSA-N 1 2 296.370 3.202 20 30 CGEDLO N#CCC[N@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC001138866431 804059394 /nfs/dbraw/zinc/05/93/94/804059394.db2.gz PRLNPYPNZHBUHG-UHFFFAOYSA-N 1 2 280.375 3.288 20 30 CGEDLO N#CCC[N@@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC001138866431 804059405 /nfs/dbraw/zinc/05/94/05/804059405.db2.gz PRLNPYPNZHBUHG-UHFFFAOYSA-N 1 2 280.375 3.288 20 30 CGEDLO CCOc1ccc(Cl)cc1C[NH+]1CCC(C#N)CC1 ZINC001139005606 804106925 /nfs/dbraw/zinc/10/69/25/804106925.db2.gz FZLHZBPONQYKJO-UHFFFAOYSA-N 1 2 278.783 3.474 20 30 CGEDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(F)cc(C#N)c1 ZINC001139876323 804309326 /nfs/dbraw/zinc/30/93/26/804309326.db2.gz RNHXLBLJSBZDTJ-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(F)cc(C#N)c1 ZINC001139876323 804309335 /nfs/dbraw/zinc/30/93/35/804309335.db2.gz RNHXLBLJSBZDTJ-UHFFFAOYSA-N 1 2 295.317 3.471 20 30 CGEDLO C#CC[NH+](CC#C)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140941181 804554314 /nfs/dbraw/zinc/55/43/14/804554314.db2.gz BVLWNZJFOWAXAV-UHFFFAOYSA-N 1 2 282.774 3.199 20 30 CGEDLO CCOc1cc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001143575657 804867389 /nfs/dbraw/zinc/86/73/89/804867389.db2.gz HHUIYVYAFFCGFV-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001143575657 804867395 /nfs/dbraw/zinc/86/73/95/804867395.db2.gz HHUIYVYAFFCGFV-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cc(C)c(F)c(F)c1 ZINC001143607788 804875659 /nfs/dbraw/zinc/87/56/59/804875659.db2.gz VYHREZRITADKSK-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cc(C)c(F)c(F)c1 ZINC001143607788 804875663 /nfs/dbraw/zinc/87/56/63/804875663.db2.gz VYHREZRITADKSK-UHFFFAOYSA-N 1 2 252.308 3.399 20 30 CGEDLO C[C@@H]1CC([NH2+]C2(C#N)CCCCCC2)C[C@@H](C)O1 ZINC001257074489 807043354 /nfs/dbraw/zinc/04/33/54/807043354.db2.gz NYYRCFQTSQNJQT-CHWSQXEVSA-N 1 2 250.386 3.149 20 30 CGEDLO Cc1ccc(C#N)c(Nc2[nH+]c3ccccc3n2C)c1 ZINC001249895463 805287265 /nfs/dbraw/zinc/28/72/65/805287265.db2.gz AFEYXJWKSTZKDV-UHFFFAOYSA-N 1 2 262.316 3.497 20 30 CGEDLO CCOc1cc(C[N@H+](CCC#N)C2CCCC2)ccn1 ZINC001250009241 805363821 /nfs/dbraw/zinc/36/38/21/805363821.db2.gz FPZDJVNCYWSIHL-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO CCOc1cc(C[N@@H+](CCC#N)C2CCCC2)ccn1 ZINC001250009241 805363829 /nfs/dbraw/zinc/36/38/29/805363829.db2.gz FPZDJVNCYWSIHL-UHFFFAOYSA-N 1 2 273.380 3.139 20 30 CGEDLO CCc1ccc[nH+]c1Nc1ccc(OCC#N)cc1 ZINC001212605912 815083795 /nfs/dbraw/zinc/08/37/95/815083795.db2.gz CLQQKCWKYRTCAB-UHFFFAOYSA-N 1 2 253.305 3.290 20 30 CGEDLO CC(C)c1nc(CN(C)c2cc(CC#N)cc[nH+]2)cs1 ZINC001167003476 807124962 /nfs/dbraw/zinc/12/49/62/807124962.db2.gz HFBFQBHYJBELRC-UHFFFAOYSA-N 1 2 286.404 3.364 20 30 CGEDLO Cc1c(C#N)c(NCc2cc[nH+]c(N)c2)nc2ccccc12 ZINC001167617467 807216292 /nfs/dbraw/zinc/21/62/92/807216292.db2.gz QWWNGQXXUAJXFQ-UHFFFAOYSA-N 1 2 289.342 3.004 20 30 CGEDLO CCOC(=O)CC1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001258024146 807268267 /nfs/dbraw/zinc/26/82/67/807268267.db2.gz OSJYUSWTPAUVOA-ZBCRRDGASA-N 1 2 280.412 3.026 20 30 CGEDLO N#Cc1cccc(C#N)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695881 815105185 /nfs/dbraw/zinc/10/51/85/815105185.db2.gz XLQWFBUFJCQCRU-UHFFFAOYSA-N 1 2 299.337 3.418 20 30 CGEDLO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258059832 807281931 /nfs/dbraw/zinc/28/19/31/807281931.db2.gz IPPQTHKYESFUND-ZIAGYGMSSA-N 1 2 252.402 3.110 20 30 CGEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@@](C)(C#N)CC(C)C ZINC001258115038 807313329 /nfs/dbraw/zinc/31/33/29/807313329.db2.gz DKZQRYPIHJDSLO-DZGCQCFKSA-N 1 2 268.401 3.026 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CC(C)(C)SC)C(=O)OCC ZINC001258326382 807411058 /nfs/dbraw/zinc/41/10/58/807411058.db2.gz IHHKHLOFGHKIPK-LALPHHSUSA-N 1 2 285.453 3.004 20 30 CGEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CC(C)(C)SC)C(=O)OCC ZINC001258326383 807411106 /nfs/dbraw/zinc/41/11/06/807411106.db2.gz IHHKHLOFGHKIPK-YWPYICTPSA-N 1 2 285.453 3.004 20 30 CGEDLO N#CCCCCNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001168436672 807414497 /nfs/dbraw/zinc/41/44/97/807414497.db2.gz RBQSVKUGUHRZPA-UHFFFAOYSA-N 1 2 282.347 3.161 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734984 807499656 /nfs/dbraw/zinc/49/96/56/807499656.db2.gz NPFLKZASBPNGFN-DGCLKSJQSA-N 1 2 260.768 3.043 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168734984 807499661 /nfs/dbraw/zinc/49/96/61/807499661.db2.gz NPFLKZASBPNGFN-DGCLKSJQSA-N 1 2 260.768 3.043 20 30 CGEDLO C=CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001258733612 807579010 /nfs/dbraw/zinc/57/90/10/807579010.db2.gz JWNJERSLTHOHQN-SWLSCSKDSA-N 1 2 292.810 3.168 20 30 CGEDLO C=CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001258733612 807579012 /nfs/dbraw/zinc/57/90/12/807579012.db2.gz JWNJERSLTHOHQN-SWLSCSKDSA-N 1 2 292.810 3.168 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OCC ZINC001258839755 807652625 /nfs/dbraw/zinc/65/26/25/807652625.db2.gz JIBIUBIAPNDITR-RYRKJORJSA-N 1 2 287.403 3.105 20 30 CGEDLO CC(C)Oc1cc(NCc2ccc(C#N)c(F)c2)cc[nH+]1 ZINC001170094403 807756932 /nfs/dbraw/zinc/75/69/32/807756932.db2.gz MLDVKCMRVKORBQ-UHFFFAOYSA-N 1 2 285.322 3.492 20 30 CGEDLO CC1(F)C[NH+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379238 807832041 /nfs/dbraw/zinc/83/20/41/807832041.db2.gz UTZJGPGNFCJUFP-UHFFFAOYSA-N 1 2 272.367 3.434 20 30 CGEDLO SCCCNc1c(Br)c[nH+]c2ccccc21 ZINC001171002501 807956515 /nfs/dbraw/zinc/95/65/15/807956515.db2.gz OITZOHXGGIZEEG-UHFFFAOYSA-N 1 2 297.221 3.151 20 30 CGEDLO SCCCNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001171003384 807957053 /nfs/dbraw/zinc/95/70/53/807957053.db2.gz AACREMRBHRSNDW-UHFFFAOYSA-N 1 2 286.198 3.057 20 30 CGEDLO SCCCNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001171003384 807957056 /nfs/dbraw/zinc/95/70/56/807957056.db2.gz AACREMRBHRSNDW-UHFFFAOYSA-N 1 2 286.198 3.057 20 30 CGEDLO SCCCNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001171004271 807957744 /nfs/dbraw/zinc/95/77/44/807957744.db2.gz WREOSQTZMZUDGJ-UHFFFAOYSA-N 1 2 274.389 3.392 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1ccc(C)cc1)C(=O)OC ZINC001171660881 808115362 /nfs/dbraw/zinc/11/53/62/808115362.db2.gz RMQPUCZXAJYGBA-HOCLYGCPSA-N 1 2 275.392 3.023 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C#N)ccc3C)ccn12 ZINC001265678711 808168593 /nfs/dbraw/zinc/16/85/93/808168593.db2.gz XCSUNOABJJLFMB-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO CCCCCCCCOC(=O)C[NH2+][C@H](C)CCOCC ZINC001172421089 808302447 /nfs/dbraw/zinc/30/24/47/808302447.db2.gz USGKMJOIUYQVLR-OAHLLOKOSA-N 1 2 287.444 3.295 20 30 CGEDLO CC(C)[C@](C)(C#N)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172646543 808407590 /nfs/dbraw/zinc/40/75/90/808407590.db2.gz BVAKWCPPEOUVCI-HNNXBMFYSA-N 1 2 252.402 3.250 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([NH2+][C@@](C)(C#N)C(C)C)CC2 ZINC001172827475 808449393 /nfs/dbraw/zinc/44/93/93/808449393.db2.gz AZBLTEPOTLHYFZ-SJORKVTESA-N 1 2 256.393 3.380 20 30 CGEDLO CCCC[C@@H](CC(C)C)[NH2+][C@@H](CS)C(=O)OCC ZINC001173246249 808553985 /nfs/dbraw/zinc/55/39/85/808553985.db2.gz NBGJLGWXEYDPIY-STQMWFEESA-N 1 2 275.458 3.042 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001268446751 808587820 /nfs/dbraw/zinc/58/78/20/808587820.db2.gz KQFBOSMGIKMMFA-KSSFIOAISA-N 1 2 286.419 3.150 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001268753126 808623247 /nfs/dbraw/zinc/62/32/47/808623247.db2.gz OYCDMRFVEAHTGQ-OCCSQVGLSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001268753126 808623252 /nfs/dbraw/zinc/62/32/52/808623252.db2.gz OYCDMRFVEAHTGQ-OCCSQVGLSA-N 1 2 288.863 3.248 20 30 CGEDLO N#CC1C[NH+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685421 808663729 /nfs/dbraw/zinc/66/37/29/808663729.db2.gz ADGAMEFOZNGCIL-UHFFFAOYSA-N 1 2 266.388 3.269 20 30 CGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001269663337 808696352 /nfs/dbraw/zinc/69/63/52/808696352.db2.gz ANAFLCNLGUDRQL-HRCADAONSA-N 1 2 296.430 3.156 20 30 CGEDLO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001269663337 808696358 /nfs/dbraw/zinc/69/63/58/808696358.db2.gz ANAFLCNLGUDRQL-HRCADAONSA-N 1 2 296.430 3.156 20 30 CGEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@](C)(CC)CCCCC ZINC001276976600 809052009 /nfs/dbraw/zinc/05/20/09/809052009.db2.gz DNBGFVGYDBLBJA-SJLPKXTDSA-N 1 2 292.467 3.197 20 30 CGEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@](C)(CC)CCCCC ZINC001276976600 809052017 /nfs/dbraw/zinc/05/20/17/809052017.db2.gz DNBGFVGYDBLBJA-SJLPKXTDSA-N 1 2 292.467 3.197 20 30 CGEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@](C)(CC)CCCCC ZINC001276976598 809052151 /nfs/dbraw/zinc/05/21/51/809052151.db2.gz DNBGFVGYDBLBJA-FUHWJXTLSA-N 1 2 292.467 3.197 20 30 CGEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@](C)(CC)CCCCC ZINC001276976598 809052159 /nfs/dbraw/zinc/05/21/59/809052159.db2.gz DNBGFVGYDBLBJA-FUHWJXTLSA-N 1 2 292.467 3.197 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001277699719 809090094 /nfs/dbraw/zinc/09/00/94/809090094.db2.gz OLKWQYVDFJUMTC-OAHLLOKOSA-N 1 2 280.456 3.312 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccns1 ZINC001175113269 809277431 /nfs/dbraw/zinc/27/74/31/809277431.db2.gz ZOWCIZOKQAQPPR-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001284132317 809297961 /nfs/dbraw/zinc/29/79/61/809297961.db2.gz PFZDYUPCVHUVKE-KGLIPLIRSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001284132317 809297963 /nfs/dbraw/zinc/29/79/63/809297963.db2.gz PFZDYUPCVHUVKE-KGLIPLIRSA-N 1 2 284.831 3.064 20 30 CGEDLO CSc1cc(Nc2ccc(N)c(C#N)c2)cc[nH+]1 ZINC001213433662 815280728 /nfs/dbraw/zinc/28/07/28/815280728.db2.gz JYZJHPVIQSGDJY-UHFFFAOYSA-N 1 2 256.334 3.001 20 30 CGEDLO N#Cc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1Cl ZINC001175347902 809371608 /nfs/dbraw/zinc/37/16/08/809371608.db2.gz WUWPQSXCEGLUGD-UHFFFAOYSA-N 1 2 299.765 3.345 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cccnc1C#N ZINC001213491797 815289550 /nfs/dbraw/zinc/28/95/50/815289550.db2.gz PYAPEMHOAMOZJB-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cncc(C#N)c1 ZINC001213491316 815290131 /nfs/dbraw/zinc/29/01/31/815290131.db2.gz HBQLVLAFWCSUQQ-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cc(C#N)c(C#N)cc1N ZINC001213500926 815292148 /nfs/dbraw/zinc/29/21/48/815292148.db2.gz CXSMUSGTYDOMQZ-UHFFFAOYSA-N 1 2 289.342 3.337 20 30 CGEDLO COC(=O)c1cc(C#N)ccc1Nc1c[nH+]cc(C)c1C ZINC001213532382 815301003 /nfs/dbraw/zinc/30/10/03/815301003.db2.gz FJODRTOGZCOJRJ-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO COc1cc(C#N)c(F)cc1Nc1c[nH+]cc(C)c1C ZINC001213534158 815301455 /nfs/dbraw/zinc/30/14/55/815301455.db2.gz PGIAWIWFDRMPTJ-UHFFFAOYSA-N 1 2 271.295 3.461 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC001176390428 809684301 /nfs/dbraw/zinc/68/43/01/809684301.db2.gz KGTGAGGRGRKQJX-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCOC[C@@H]2CC2CC2)cc1 ZINC001176390428 809684304 /nfs/dbraw/zinc/68/43/04/809684304.db2.gz KGTGAGGRGRKQJX-KRWDZBQOSA-N 1 2 289.806 3.192 20 30 CGEDLO Cc1nc(C#N)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749961 809757737 /nfs/dbraw/zinc/75/77/37/809757737.db2.gz PHWDQVBJFSRVBI-UHFFFAOYSA-N 1 2 279.347 3.001 20 30 CGEDLO CCCCCCC[C@H](C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001181120036 810038791 /nfs/dbraw/zinc/03/87/91/810038791.db2.gz DZSIDXWQLQBQOW-AWEZNQCLSA-N 1 2 279.428 3.075 20 30 CGEDLO C#CC[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)C(=O)OC ZINC001182270905 810100907 /nfs/dbraw/zinc/10/09/07/810100907.db2.gz BBNGKZFRPKSXSJ-JCYILVPMSA-N 1 2 291.435 3.280 20 30 CGEDLO C#C[C@H]1COCC[N@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284299 810101892 /nfs/dbraw/zinc/10/18/92/810101892.db2.gz GBHOBSNYYJKXDG-WFASDCNBSA-N 1 2 297.320 3.143 20 30 CGEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001182284299 810101896 /nfs/dbraw/zinc/10/18/96/810101896.db2.gz GBHOBSNYYJKXDG-WFASDCNBSA-N 1 2 297.320 3.143 20 30 CGEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccsc1 ZINC001193797721 810958246 /nfs/dbraw/zinc/95/82/46/810958246.db2.gz OHLGCBSEYPNCKQ-SNVBAGLBSA-N 1 2 287.344 3.379 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)OC ZINC001196899392 811379903 /nfs/dbraw/zinc/37/99/03/811379903.db2.gz XFTPLETVLVITJP-OAGGEKHMSA-N 1 2 273.376 3.030 20 30 CGEDLO COc1cc[nH+]cc1NC=Cc1ccc(C#N)cc1 ZINC001203297805 812299444 /nfs/dbraw/zinc/29/94/44/812299444.db2.gz ABTSBHPBVPUKQG-RMKNXTFCSA-N 1 2 251.289 3.045 20 30 CGEDLO CC(=O)Nc1ccc(Nc2ccc(C)[nH+]c2C)cc1C#N ZINC001203375336 812332127 /nfs/dbraw/zinc/33/21/27/812332127.db2.gz VQCDGUFVDRDIFC-UHFFFAOYSA-N 1 2 280.331 3.272 20 30 CGEDLO CNc1ccc(Nc2c(C#N)oc3ccccc32)c[nH+]1 ZINC001203450143 812361607 /nfs/dbraw/zinc/36/16/07/812361607.db2.gz WMUDUAUXLMLCDJ-UHFFFAOYSA-N 1 2 264.288 3.485 20 30 CGEDLO Cn1cnc(C#N)c1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001203719370 812440289 /nfs/dbraw/zinc/44/02/89/812440289.db2.gz UBCHYPRRYPKPIV-UHFFFAOYSA-N 1 2 281.363 3.026 20 30 CGEDLO Cc1cccc(C[NH+]2CC(Oc3ccccc3C#N)C2)c1 ZINC001203894863 812485040 /nfs/dbraw/zinc/48/50/40/812485040.db2.gz ZIMRIJKACRXDBT-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(O)cc1 ZINC001204088932 812546534 /nfs/dbraw/zinc/54/65/34/812546534.db2.gz JMSYKBRQXBCBDS-UHFFFAOYSA-N 1 2 266.344 3.308 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cc1 ZINC001204088932 812546538 /nfs/dbraw/zinc/54/65/38/812546538.db2.gz JMSYKBRQXBCBDS-UHFFFAOYSA-N 1 2 266.344 3.308 20 30 CGEDLO CSc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204139039 812554261 /nfs/dbraw/zinc/55/42/61/812554261.db2.gz UPVZWMUQYYFDCR-AWEZNQCLSA-N 1 2 291.441 3.183 20 30 CGEDLO CSc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204139039 812554264 /nfs/dbraw/zinc/55/42/64/812554264.db2.gz UPVZWMUQYYFDCR-AWEZNQCLSA-N 1 2 291.441 3.183 20 30 CGEDLO C#Cc1cc(Nc2ccc(OC(C)C)c(F)c2)cc[nH+]1 ZINC001209995546 814235452 /nfs/dbraw/zinc/23/54/52/814235452.db2.gz XNZGXDKLWMGZSD-UHFFFAOYSA-N 1 2 270.307 3.155 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccccc1C#N ZINC001242717407 823111004 /nfs/dbraw/zinc/11/10/04/823111004.db2.gz ULJDLVVDPLDQAD-UHFFFAOYSA-N 1 2 275.311 3.420 20 30 CGEDLO COc1cccc(Nc2[nH+]cc(C)cc2C)c1C#N ZINC001210120527 814298551 /nfs/dbraw/zinc/29/85/51/814298551.db2.gz KNZPNBNDLLFLBK-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO Cc1cc(Nc2ccc(-n3cc[nH+]c3)cc2)cnc1C#N ZINC001210203713 814338416 /nfs/dbraw/zinc/33/84/16/814338416.db2.gz BKGIQXGWSXSACF-UHFFFAOYSA-N 1 2 275.315 3.191 20 30 CGEDLO COc1cc(Nc2ccc(OC)c(C#N)c2)cc(C)[nH+]1 ZINC001210781238 814626849 /nfs/dbraw/zinc/62/68/49/814626849.db2.gz OZKDZASLVYLACH-UHFFFAOYSA-N 1 2 269.304 3.023 20 30 CGEDLO N#Cc1ccc2ccc(O[C@H]3C[NH2+]CC(F)(F)C3)cc2c1 ZINC001218276696 816150270 /nfs/dbraw/zinc/15/02/70/816150270.db2.gz WJXVMKVFPLQKDD-OAHLLOKOSA-N 1 2 288.297 3.087 20 30 CGEDLO C#Cc1cccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC001219009889 816262062 /nfs/dbraw/zinc/26/20/62/816262062.db2.gz RYKATIBFWJIYBZ-UHFFFAOYSA-N 1 2 293.370 3.310 20 30 CGEDLO C=CCn1cc(-c2c[nH+]c(N3CCCCC3)cc2C)cn1 ZINC001222391159 816430150 /nfs/dbraw/zinc/43/01/50/816430150.db2.gz FIKJRZJRMMOTES-UHFFFAOYSA-N 1 2 282.391 3.430 20 30 CGEDLO Cc1c(C#N)ccc(OC2C[NH+](Cc3ccccc3)C2)c1C ZINC001225517786 817082101 /nfs/dbraw/zinc/08/21/01/817082101.db2.gz MZJNXPCCYNCUJK-UHFFFAOYSA-N 1 2 292.382 3.438 20 30 CGEDLO N#Cc1cc(Cl)cc(OC2C[NH+](Cc3ccccc3)C2)c1 ZINC001225697453 817145405 /nfs/dbraw/zinc/14/54/05/817145405.db2.gz HUNWACHPEFOKPV-UHFFFAOYSA-N 1 2 298.773 3.475 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241765 818290494 /nfs/dbraw/zinc/29/04/94/818290494.db2.gz UMXOAFLTJDERCU-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241765 818290498 /nfs/dbraw/zinc/29/04/98/818290498.db2.gz UMXOAFLTJDERCU-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232444179 818349943 /nfs/dbraw/zinc/34/99/43/818349943.db2.gz QHVPGLGRPLCICN-SNVBAGLBSA-N 1 2 272.270 3.424 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232444179 818349949 /nfs/dbraw/zinc/34/99/49/818349949.db2.gz QHVPGLGRPLCICN-SNVBAGLBSA-N 1 2 272.270 3.424 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)co1 ZINC001232857463 818456254 /nfs/dbraw/zinc/45/62/54/818456254.db2.gz QWYFMWMTDPRURQ-WLLOZRIZSA-N 1 2 295.180 3.309 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)co1 ZINC001232857463 818456258 /nfs/dbraw/zinc/45/62/58/818456258.db2.gz QWYFMWMTDPRURQ-WLLOZRIZSA-N 1 2 295.180 3.309 20 30 CGEDLO N#CCC[N@@H+](Cc1ccc(OC(F)F)nc1)C1CCCC1 ZINC001232952818 818483160 /nfs/dbraw/zinc/48/31/60/818483160.db2.gz FEHFAWFBFKJUQF-UHFFFAOYSA-N 1 2 295.333 3.341 20 30 CGEDLO N#CCC[N@H+](Cc1ccc(OC(F)F)nc1)C1CCCC1 ZINC001232952818 818483166 /nfs/dbraw/zinc/48/31/66/818483166.db2.gz FEHFAWFBFKJUQF-UHFFFAOYSA-N 1 2 295.333 3.341 20 30 CGEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233045318 818508676 /nfs/dbraw/zinc/50/86/76/818508676.db2.gz SIDYUPMOFZWNBT-QGZVFWFLSA-N 1 2 281.359 3.232 20 30 CGEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2[nH]ccc2C#N)cc1 ZINC001233045318 818508683 /nfs/dbraw/zinc/50/86/83/818508683.db2.gz SIDYUPMOFZWNBT-QGZVFWFLSA-N 1 2 281.359 3.232 20 30 CGEDLO N#CCC1CC[NH+](Cc2cn3c(cccc3Cl)n2)CC1 ZINC001233592677 818652614 /nfs/dbraw/zinc/65/26/14/818652614.db2.gz SPFXMYXHGXYVJS-UHFFFAOYSA-N 1 2 288.782 3.113 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)nccc1N(C)C ZINC001234143556 818791017 /nfs/dbraw/zinc/79/10/17/818791017.db2.gz SHXNENKYFMXOSU-UHFFFAOYSA-N 1 2 267.804 3.199 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)nccc1N(C)C ZINC001234143556 818791025 /nfs/dbraw/zinc/79/10/25/818791025.db2.gz SHXNENKYFMXOSU-UHFFFAOYSA-N 1 2 267.804 3.199 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(OC(C)C)cc1C ZINC001235421841 819091772 /nfs/dbraw/zinc/09/17/72/819091772.db2.gz JQMYSOXHGJDDKL-UHFFFAOYSA-N 1 2 275.396 3.303 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(OC(C)C)cc1C ZINC001235421841 819091775 /nfs/dbraw/zinc/09/17/75/819091775.db2.gz JQMYSOXHGJDDKL-UHFFFAOYSA-N 1 2 275.396 3.303 20 30 CGEDLO Cc1cc(-c2ccc(F)c(C#N)c2)c2[nH+]ccn2c1 ZINC001235894485 819204617 /nfs/dbraw/zinc/20/46/17/819204617.db2.gz JBRBDLSLKOIQIK-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(O)cc2ccccc21 ZINC001237068504 819658805 /nfs/dbraw/zinc/65/88/05/819658805.db2.gz LPZUXCJDBZXFEQ-UHFFFAOYSA-N 1 2 254.333 3.281 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(O)cc2ccccc21 ZINC001237068504 819658808 /nfs/dbraw/zinc/65/88/08/819658808.db2.gz LPZUXCJDBZXFEQ-UHFFFAOYSA-N 1 2 254.333 3.281 20 30 CGEDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(C#N)c(F)cc1F ZINC001237525910 819772252 /nfs/dbraw/zinc/77/22/52/819772252.db2.gz WTBVVTATXCDVMY-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(C#N)c(F)cc1F ZINC001237525910 819772254 /nfs/dbraw/zinc/77/22/54/819772254.db2.gz WTBVVTATXCDVMY-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001237622235 819788483 /nfs/dbraw/zinc/78/84/83/819788483.db2.gz OWSHWUJQTILIDC-CGJHYDBRSA-N 1 2 294.757 3.451 20 30 CGEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001237622235 819788488 /nfs/dbraw/zinc/78/84/88/819788488.db2.gz OWSHWUJQTILIDC-CGJHYDBRSA-N 1 2 294.757 3.451 20 30 CGEDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C#N)C2)c1O ZINC001237686706 819807214 /nfs/dbraw/zinc/80/72/14/819807214.db2.gz LQKLVRXJDOPPCX-NSHDSACASA-N 1 2 264.756 3.090 20 30 CGEDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)C2)c1O ZINC001237686706 819807225 /nfs/dbraw/zinc/80/72/25/819807225.db2.gz LQKLVRXJDOPPCX-NSHDSACASA-N 1 2 264.756 3.090 20 30 CGEDLO N#CCC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237800117 819844625 /nfs/dbraw/zinc/84/46/25/819844625.db2.gz XHOMOVOOMZBHGN-UHFFFAOYSA-N 1 2 282.746 3.310 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(C2CC2)c(C)c1 ZINC001238619215 820064465 /nfs/dbraw/zinc/06/44/65/820064465.db2.gz ZBKYLONMMAHVJC-UHFFFAOYSA-N 1 2 257.381 3.393 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(C2CC2)c(C)c1 ZINC001238619215 820064475 /nfs/dbraw/zinc/06/44/75/820064475.db2.gz ZBKYLONMMAHVJC-UHFFFAOYSA-N 1 2 257.381 3.393 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751588 820108315 /nfs/dbraw/zinc/10/83/15/820108315.db2.gz GYJSWUNTSXIMNX-OAHLLOKOSA-N 1 2 272.392 3.436 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)cc(C)c1OC(C)C ZINC001238751588 820108319 /nfs/dbraw/zinc/10/83/19/820108319.db2.gz GYJSWUNTSXIMNX-OAHLLOKOSA-N 1 2 272.392 3.436 20 30 CGEDLO N#CCOc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001243589978 823458284 /nfs/dbraw/zinc/45/82/84/823458284.db2.gz NYJUHUVLXHIOHR-UHFFFAOYSA-N 1 2 279.343 3.251 20 30 CGEDLO CCCCCCCOC(=O)Nc1cc[nH+]c(N)c1 ZINC001239311901 820260898 /nfs/dbraw/zinc/26/08/98/820260898.db2.gz XUCVCGIDYGLXBZ-UHFFFAOYSA-N 1 2 251.330 3.183 20 30 CGEDLO ON=Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243660072 823477507 /nfs/dbraw/zinc/47/75/07/823477507.db2.gz NQJWZHJENHVLCO-UHFFFAOYSA-N 1 2 277.327 3.407 20 30 CGEDLO Cc1cn2cc(-c3ccc(C#N)c(F)c3)ccc2[nH+]1 ZINC001240151696 820861389 /nfs/dbraw/zinc/86/13/89/820861389.db2.gz FTLVYMBBOGBSCL-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#Cc1cnc(-c2ccn3cc[nH+]c3c2)cc1C(F)(F)F ZINC001240496917 821094252 /nfs/dbraw/zinc/09/42/52/821094252.db2.gz KZEKSBGRGODNGA-UHFFFAOYSA-N 1 2 288.232 3.287 20 30 CGEDLO Cc1cc(F)cc(-c2ccn3cc[nH+]c3c2)c1C#N ZINC001240508853 821104123 /nfs/dbraw/zinc/10/41/23/821104123.db2.gz MOHHBDUMTHWXSG-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO COc1c(C#N)c(F)ccc1-c1c[nH+]c(N(C)C)cc1C ZINC001241252333 821673423 /nfs/dbraw/zinc/67/34/23/821673423.db2.gz SEERXQLIOKZARG-UHFFFAOYSA-N 1 2 285.322 3.142 20 30 CGEDLO COc1nc(C)c(-c2cc(C)[nH+]c(C)c2)c(C)c1C#N ZINC001241992249 822260211 /nfs/dbraw/zinc/26/02/11/822260211.db2.gz KBKIDBKLUDKYDF-UHFFFAOYSA-N 1 2 267.332 3.258 20 30 CGEDLO COc1cccc(-c2cccc3[nH+]c(C)cn32)c1C#N ZINC001242299809 822944235 /nfs/dbraw/zinc/94/42/35/822944235.db2.gz TYCDTFMDNYFUHV-UHFFFAOYSA-N 1 2 263.300 3.190 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2ccc[nH+]c2N(C)C)oc1C ZINC001342254484 936463322 /nfs/dbraw/zinc/46/33/22/936463322.db2.gz JXXKGPKWBAVERW-FPLPWBNLSA-N 1 2 270.332 3.254 20 30 CGEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccccc1 ZINC001346401207 936847934 /nfs/dbraw/zinc/84/79/34/936847934.db2.gz LJBGEDUYOXIFKT-ZHACJKMWSA-N 1 2 252.317 3.044 20 30 CGEDLO C[C@H](CC#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001351766049 937024768 /nfs/dbraw/zinc/02/47/68/937024768.db2.gz ATAWQRIPPLYOOH-SNVBAGLBSA-N 1 2 288.738 3.014 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccoc1C(C)C ZINC001483424991 927504162 /nfs/dbraw/zinc/50/41/62/927504162.db2.gz YSKCMBOLERVSMG-GFCCVEGCSA-N 1 2 298.814 3.206 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1C(C)C ZINC001483424991 927504171 /nfs/dbraw/zinc/50/41/71/927504171.db2.gz YSKCMBOLERVSMG-GFCCVEGCSA-N 1 2 298.814 3.206 20 30 CGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001171208596 928202040 /nfs/dbraw/zinc/20/20/40/928202040.db2.gz DRGAKMWDHXKPGB-FZMZJTMJSA-N 1 2 282.309 3.168 20 30 CGEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001171208596 928202056 /nfs/dbraw/zinc/20/20/56/928202056.db2.gz DRGAKMWDHXKPGB-FZMZJTMJSA-N 1 2 282.309 3.168 20 30 CGEDLO C#CC[N@@H+](Cc1cc(C)n(C)n1)[C@H]1CCCc2ccccc21 ZINC001460838729 937548021 /nfs/dbraw/zinc/54/80/21/937548021.db2.gz TYWHTPGRPKOCGW-IBGZPJMESA-N 1 2 293.414 3.241 20 30 CGEDLO C#CC[N@H+](Cc1cc(C)n(C)n1)[C@H]1CCCc2ccccc21 ZINC001460838729 937548022 /nfs/dbraw/zinc/54/80/22/937548022.db2.gz TYWHTPGRPKOCGW-IBGZPJMESA-N 1 2 293.414 3.241 20 30 CGEDLO N#Cc1ccc(Cl)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001140603001 931959511 /nfs/dbraw/zinc/95/95/11/931959511.db2.gz WIGIINYCOREBTR-GFCCVEGCSA-N 1 2 296.798 3.241 20 30 CGEDLO Cc1cn2cccc(Nc3cccc(C#N)c3F)c2[nH+]1 ZINC001216413550 932019351 /nfs/dbraw/zinc/01/93/51/932019351.db2.gz SIKZLFMSNZWVEC-UHFFFAOYSA-N 1 2 266.279 3.397 20 30 CGEDLO C=CCCSCCNc1nc(C)[nH+]c2c1CCCC2 ZINC001307162071 932772552 /nfs/dbraw/zinc/77/25/52/932772552.db2.gz HPHPGTSKQGTFPK-UHFFFAOYSA-N 1 2 277.437 3.385 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001307817664 933005544 /nfs/dbraw/zinc/00/55/44/933005544.db2.gz CFNJFPIIVVWKKB-AAEUAGOBSA-N 1 2 279.405 3.249 20 30 CGEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC001307817664 933005551 /nfs/dbraw/zinc/00/55/51/933005551.db2.gz CFNJFPIIVVWKKB-AAEUAGOBSA-N 1 2 279.405 3.249 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(=O)OCC ZINC001308917040 933203685 /nfs/dbraw/zinc/20/36/85/933203685.db2.gz FNFPITLUWAAWFN-CJNGLKHVSA-N 1 2 293.382 3.244 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H](C)Cc1cccc(C)c1)C(=O)OCC ZINC001308918189 933204702 /nfs/dbraw/zinc/20/47/02/933204702.db2.gz MZRCOJXPTXRKDT-RDJZCZTQSA-N 1 2 289.419 3.414 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001317464154 933597778 /nfs/dbraw/zinc/59/77/78/933597778.db2.gz SEANCJITVOKKLG-UHFFFAOYSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001317464154 933597787 /nfs/dbraw/zinc/59/77/87/933597787.db2.gz SEANCJITVOKKLG-UHFFFAOYSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001317491589 933605081 /nfs/dbraw/zinc/60/50/81/933605081.db2.gz BOPBWEUTQRGAQJ-NRXISQOPSA-N 1 2 298.858 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001317491589 933605085 /nfs/dbraw/zinc/60/50/85/933605085.db2.gz BOPBWEUTQRGAQJ-NRXISQOPSA-N 1 2 298.858 3.003 20 30 CGEDLO Cc1cccc(C(=O)/C=C/c2ccc[nH+]c2N(C)C)c1 ZINC001323088314 934363377 /nfs/dbraw/zinc/36/33/77/934363377.db2.gz RLFPJSYINAIPCO-MDZDMXLPSA-N 1 2 266.344 3.352 20 30 CGEDLO Cc1nc(N2CCCCC2)sc1C=[NH+]OCC(F)F ZINC001323860516 934433080 /nfs/dbraw/zinc/43/30/80/934433080.db2.gz WXWWWVGXPXROFL-UHFFFAOYSA-N 1 2 289.351 3.057 20 30 CGEDLO CCNc1ccc(Nc2nc(C)c(C#N)cc2Cl)c[nH+]1 ZINC001472904819 937788640 /nfs/dbraw/zinc/78/86/40/937788640.db2.gz ACDQYCHOMATUBZ-UHFFFAOYSA-N 1 2 287.754 3.486 20 30 CGEDLO C=C[C@H](COC)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC001328814994 935170870 /nfs/dbraw/zinc/17/08/70/935170870.db2.gz IHJQMASLRAWISS-ZWNOBZJWSA-N 1 2 269.772 3.287 20 30 CGEDLO Cc1ccc(N[C@H](C)c2cccc(C#N)c2O)c(C)[nH+]1 ZINC001329747935 935243820 /nfs/dbraw/zinc/24/38/20/935243820.db2.gz DTBDXXSAYPPHHX-LLVKDONJSA-N 1 2 267.332 3.449 20 30 CGEDLO CC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC001336796365 936218597 /nfs/dbraw/zinc/21/85/97/936218597.db2.gz DQJBOFAIODFZMF-HOTGVXAUSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC001336796365 936218600 /nfs/dbraw/zinc/21/86/00/936218600.db2.gz DQJBOFAIODFZMF-HOTGVXAUSA-N 1 2 256.349 3.013 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001505996583 937988560 /nfs/dbraw/zinc/98/85/60/937988560.db2.gz JLITWDZZKNCNKC-QWHCGFSZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001505996583 937988561 /nfs/dbraw/zinc/98/85/61/937988561.db2.gz JLITWDZZKNCNKC-QWHCGFSZSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001506013058 937988761 /nfs/dbraw/zinc/98/87/61/937988761.db2.gz RNPQIXDUVZDZEH-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001506013058 937988762 /nfs/dbraw/zinc/98/87/62/937988762.db2.gz RNPQIXDUVZDZEH-ZIAGYGMSSA-N 1 2 288.863 3.248 20 30 CGEDLO CCc1cc(N[C@@H]2Cc3ccc(C#N)cc3C2)nc(CC)[nH+]1 ZINC001559262899 938223907 /nfs/dbraw/zinc/22/39/07/938223907.db2.gz JNEFMCIGAOEWIZ-MRXNPFEDSA-N 1 2 292.386 3.052 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(F)cc1 ZINC001560853178 938280018 /nfs/dbraw/zinc/28/00/18/938280018.db2.gz SPBUQLNYYNLSJY-CQSZACIVSA-N 1 2 291.272 3.274 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cncc(OC)c1)c1ccc(Cl)cc1 ZINC001560864722 938280552 /nfs/dbraw/zinc/28/05/52/938280552.db2.gz INCQUPBCROYCJH-INIZCTEOSA-N 1 2 286.762 3.208 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(O)cc3)n2c1 ZINC000254985016 957677138 /nfs/dbraw/zinc/67/71/38/957677138.db2.gz HTBCHQMMAHQABO-YVMONPNESA-N 1 2 278.311 3.244 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000294966847 199274406 /nfs/dbraw/zinc/27/44/06/199274406.db2.gz KMUSZYWOQRHUIT-UHFFFAOYSA-N 1 2 296.330 3.215 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H](C)Cc1cccs1)C(=O)OCC ZINC000590661565 346861557 /nfs/dbraw/zinc/86/15/57/346861557.db2.gz WSGIAUIIGZUAAW-JSGCOSHPSA-N 1 2 281.421 3.167 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000354934090 529448009 /nfs/dbraw/zinc/44/80/09/529448009.db2.gz ZXGDFJKNRDHDJZ-JTQLQIEISA-N 1 2 275.377 3.087 20 30 CGEDLO Cc1cc(N2CC[C@H](Oc3cccc(F)c3)C2)c(C#N)c[nH+]1 ZINC000591823675 346939951 /nfs/dbraw/zinc/93/99/51/346939951.db2.gz FITACAOPXBJOMR-INIZCTEOSA-N 1 2 297.333 3.059 20 30 CGEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccncc1C#N ZINC000592110219 346964426 /nfs/dbraw/zinc/96/44/26/346964426.db2.gz ATRIBPRQMXBNDX-GFCCVEGCSA-N 1 2 283.297 3.116 20 30 CGEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccncc1C#N ZINC000592110219 346964429 /nfs/dbraw/zinc/96/44/29/346964429.db2.gz ATRIBPRQMXBNDX-GFCCVEGCSA-N 1 2 283.297 3.116 20 30 CGEDLO CC(C)([NH2+]Cc1ccncc1C#N)c1ccccc1F ZINC000592121740 346965057 /nfs/dbraw/zinc/96/50/57/346965057.db2.gz BSTSMGLKQMJESJ-UHFFFAOYSA-N 1 2 269.323 3.117 20 30 CGEDLO CC[N@H+](CCOc1ccccc1C)Cc1ccncc1C#N ZINC000592124385 346965215 /nfs/dbraw/zinc/96/52/15/346965215.db2.gz AYFJWMLXRIIMJP-UHFFFAOYSA-N 1 2 295.386 3.163 20 30 CGEDLO CC[N@@H+](CCOc1ccccc1C)Cc1ccncc1C#N ZINC000592124385 346965217 /nfs/dbraw/zinc/96/52/17/346965217.db2.gz AYFJWMLXRIIMJP-UHFFFAOYSA-N 1 2 295.386 3.163 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592188473 346970024 /nfs/dbraw/zinc/97/00/24/346970024.db2.gz RPOIUNUQGSNBFV-HZPDHXFCSA-N 1 2 283.371 3.107 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592188473 346970027 /nfs/dbraw/zinc/97/00/27/346970027.db2.gz RPOIUNUQGSNBFV-HZPDHXFCSA-N 1 2 283.371 3.107 20 30 CGEDLO Cc1cccc(OCC[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593120946 347042372 /nfs/dbraw/zinc/04/23/72/347042372.db2.gz ILXGSIFJLMREER-UHFFFAOYSA-N 1 2 278.355 3.261 20 30 CGEDLO Cc1cccc(OCC[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593120946 347042373 /nfs/dbraw/zinc/04/23/73/347042373.db2.gz ILXGSIFJLMREER-UHFFFAOYSA-N 1 2 278.355 3.261 20 30 CGEDLO CCc1cc(N[C@H](C)c2ccc(C#N)cc2)nc[nH+]1 ZINC000040765164 344966086 /nfs/dbraw/zinc/96/60/86/344966086.db2.gz CGFVGKBSBMKKLL-LLVKDONJSA-N 1 2 252.321 3.084 20 30 CGEDLO C=CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1cccs1 ZINC000050274490 345079829 /nfs/dbraw/zinc/07/98/29/345079829.db2.gz ZRJGTSVCQMHPKC-UHFFFAOYSA-N 1 2 280.437 3.041 20 30 CGEDLO C=CC[N@H+](CC(=O)NC(C)(C)CC)Cc1cccs1 ZINC000050274490 345079832 /nfs/dbraw/zinc/07/98/32/345079832.db2.gz ZRJGTSVCQMHPKC-UHFFFAOYSA-N 1 2 280.437 3.041 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000076119323 345534989 /nfs/dbraw/zinc/53/49/89/345534989.db2.gz GIXDXJOCLSXACD-SFHVURJKSA-N 1 2 278.355 3.132 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000076119323 345534990 /nfs/dbraw/zinc/53/49/90/345534990.db2.gz GIXDXJOCLSXACD-SFHVURJKSA-N 1 2 278.355 3.132 20 30 CGEDLO N#CCC1(C[NH+]2CCN(c3ccccc3Cl)CC2)CC1 ZINC000088259268 345758304 /nfs/dbraw/zinc/75/83/04/345758304.db2.gz HFLPICMKUZZMBH-UHFFFAOYSA-N 1 2 289.810 3.156 20 30 CGEDLO C=CC[NH+](CC=C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093158963 345871060 /nfs/dbraw/zinc/87/10/60/345871060.db2.gz NIYPNZBFMMLYCP-UHFFFAOYSA-N 1 2 288.420 3.064 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)ccc1Br ZINC000134969813 346084579 /nfs/dbraw/zinc/08/45/79/346084579.db2.gz IDRFARNWSRDPMW-QMMMGPOBSA-N 1 2 287.588 3.494 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(F)cccc2F)CCCC1 ZINC000593650020 347099341 /nfs/dbraw/zinc/09/93/41/347099341.db2.gz PNOOTMYCWFFEJW-UHFFFAOYSA-N 1 2 250.292 3.138 20 30 CGEDLO N#CC1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CCCC1 ZINC000593652846 347099597 /nfs/dbraw/zinc/09/95/97/347099597.db2.gz QZVFKSYDJFLCPE-ZDUSSCGKSA-N 1 2 291.420 3.168 20 30 CGEDLO COc1ccc(F)c(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593655131 347100970 /nfs/dbraw/zinc/10/09/70/347100970.db2.gz XYTVWBYMGWBBFV-UHFFFAOYSA-N 1 2 262.328 3.008 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CO1 ZINC000403876344 346598426 /nfs/dbraw/zinc/59/84/26/346598426.db2.gz MPIICFFNUUADFG-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](CC)CO1 ZINC000403876344 346598427 /nfs/dbraw/zinc/59/84/27/346598427.db2.gz MPIICFFNUUADFG-LSDHHAIUSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000405090275 346602772 /nfs/dbraw/zinc/60/27/72/346602772.db2.gz SMALMCSLAOBXTJ-NSHDSACASA-N 1 2 262.303 3.309 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000405090275 346602776 /nfs/dbraw/zinc/60/27/76/346602776.db2.gz SMALMCSLAOBXTJ-NSHDSACASA-N 1 2 262.303 3.309 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC000405133540 346602848 /nfs/dbraw/zinc/60/28/48/346602848.db2.gz OWEHCDDOKMFLPN-UHFFFAOYSA-N 1 2 250.292 3.138 20 30 CGEDLO Cc1nc(N2Cc3ccc(C#N)cc3C2)c2c([nH+]1)CCCC2 ZINC000594604734 347202200 /nfs/dbraw/zinc/20/22/00/347202200.db2.gz YBWDWMBTVQEMLD-UHFFFAOYSA-N 1 2 290.370 3.056 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCCCC#N ZINC000594354248 347170929 /nfs/dbraw/zinc/17/09/29/347170929.db2.gz VYFGNXJZHTTWQW-CQSZACIVSA-N 1 2 288.395 3.041 20 30 CGEDLO N#CCC[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1 ZINC000594501135 347180025 /nfs/dbraw/zinc/18/00/25/347180025.db2.gz IOJSOBPQMBYWPS-CVEARBPZSA-N 1 2 280.375 3.353 20 30 CGEDLO CC[N@@H+](Cc1cccc(F)c1OC(F)F)C[C@@H](C)C#N ZINC000595298753 347289363 /nfs/dbraw/zinc/28/93/63/347289363.db2.gz SERTVNXHAOCMHI-JTQLQIEISA-N 1 2 286.297 3.409 20 30 CGEDLO CC[N@H+](Cc1cccc(F)c1OC(F)F)C[C@@H](C)C#N ZINC000595298753 347289365 /nfs/dbraw/zinc/28/93/65/347289365.db2.gz SERTVNXHAOCMHI-JTQLQIEISA-N 1 2 286.297 3.409 20 30 CGEDLO CS[C@H]1CCCC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595388029 347297403 /nfs/dbraw/zinc/29/74/03/347297403.db2.gz SNXMDXDTQBGFCR-GJZGRUSLSA-N 1 2 260.406 3.469 20 30 CGEDLO CS[C@H]1CCCC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595388029 347297407 /nfs/dbraw/zinc/29/74/07/347297407.db2.gz SNXMDXDTQBGFCR-GJZGRUSLSA-N 1 2 260.406 3.469 20 30 CGEDLO CC(C)(C)c1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595611970 347327248 /nfs/dbraw/zinc/32/72/48/347327248.db2.gz QTNXXRJPUSHKHW-LBPRGKRZSA-N 1 2 261.369 3.098 20 30 CGEDLO CC(C)(C)c1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595611970 347327254 /nfs/dbraw/zinc/32/72/54/347327254.db2.gz QTNXXRJPUSHKHW-LBPRGKRZSA-N 1 2 261.369 3.098 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595619655 347328752 /nfs/dbraw/zinc/32/87/52/347328752.db2.gz FEQZNFUTFUIHAN-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000595619655 347328754 /nfs/dbraw/zinc/32/87/54/347328754.db2.gz FEQZNFUTFUIHAN-LBPRGKRZSA-N 1 2 273.767 3.337 20 30 CGEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN([C@H](C)C#N)C1CC1 ZINC000595709396 347344476 /nfs/dbraw/zinc/34/44/76/347344476.db2.gz FAUNFLLHVSRPDP-CQSZACIVSA-N 1 2 280.375 3.057 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000595816936 347359423 /nfs/dbraw/zinc/35/94/23/347359423.db2.gz ZNMFPNYOJPUHPL-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000595816936 347359425 /nfs/dbraw/zinc/35/94/25/347359425.db2.gz ZNMFPNYOJPUHPL-ZDUSSCGKSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838341 347364229 /nfs/dbraw/zinc/36/42/29/347364229.db2.gz ALOGJQFIZZLKQO-YGRLFVJLSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838341 347364232 /nfs/dbraw/zinc/36/42/32/347364232.db2.gz ALOGJQFIZZLKQO-YGRLFVJLSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839011 347364499 /nfs/dbraw/zinc/36/44/99/347364499.db2.gz GEGNAUUHIVXKON-IINYFYTJSA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839011 347364500 /nfs/dbraw/zinc/36/45/00/347364500.db2.gz GEGNAUUHIVXKON-IINYFYTJSA-N 1 2 250.292 3.261 20 30 CGEDLO CCCOc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841289 347365274 /nfs/dbraw/zinc/36/52/74/347365274.db2.gz JXTDWBGXUYDZOX-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO CCCOc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841289 347365276 /nfs/dbraw/zinc/36/52/76/347365276.db2.gz JXTDWBGXUYDZOX-MRXNPFEDSA-N 1 2 258.365 3.211 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842666 347366636 /nfs/dbraw/zinc/36/66/36/347366636.db2.gz UPQXFKNHCTYZKM-HNNXBMFYSA-N 1 2 280.318 3.332 20 30 CGEDLO Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842666 347366637 /nfs/dbraw/zinc/36/66/37/347366637.db2.gz UPQXFKNHCTYZKM-HNNXBMFYSA-N 1 2 280.318 3.332 20 30 CGEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC000596358592 347432146 /nfs/dbraw/zinc/43/21/46/347432146.db2.gz XYLFCLWMAWROBZ-UHFFFAOYSA-N 1 2 296.349 3.305 20 30 CGEDLO Cc1cc(N2CC[C@@](C)(C#N)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596532283 347475503 /nfs/dbraw/zinc/47/55/03/347475503.db2.gz RKYLRABEUGEXEI-INIZCTEOSA-N 1 2 296.330 3.191 20 30 CGEDLO CCCCc1[nH]c2ccc(NC(=O)[C@@H](C)CC#N)cc2[nH+]1 ZINC000596971300 347522954 /nfs/dbraw/zinc/52/29/54/347522954.db2.gz VTYGBOOQQOTVCL-NSHDSACASA-N 1 2 284.363 3.394 20 30 CGEDLO Cc1cccn2c(NC(=O)NCC(C)(C)CCC#N)c[nH+]c12 ZINC000597085140 347534536 /nfs/dbraw/zinc/53/45/36/347534536.db2.gz RWTIOGRKXTWBGP-UHFFFAOYSA-N 1 2 299.378 3.094 20 30 CGEDLO COCc1csc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000597158601 347542361 /nfs/dbraw/zinc/54/23/61/347542361.db2.gz VIPNVDMPYXGXTJ-UHFFFAOYSA-N 1 2 284.384 3.282 20 30 CGEDLO COCc1csc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000597158601 347542364 /nfs/dbraw/zinc/54/23/64/347542364.db2.gz VIPNVDMPYXGXTJ-UHFFFAOYSA-N 1 2 284.384 3.282 20 30 CGEDLO CC(C)Cc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597229521 347559004 /nfs/dbraw/zinc/55/90/04/347559004.db2.gz BWAXPZSBIVPTRA-AWEZNQCLSA-N 1 2 263.410 3.077 20 30 CGEDLO CC(C)Cc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597229521 347559008 /nfs/dbraw/zinc/55/90/08/347559008.db2.gz BWAXPZSBIVPTRA-AWEZNQCLSA-N 1 2 263.410 3.077 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597229487 347559199 /nfs/dbraw/zinc/55/91/99/347559199.db2.gz BCCWVMQQTKUEGB-MPNWYJEXSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000597229487 347559203 /nfs/dbraw/zinc/55/92/03/347559203.db2.gz BCCWVMQQTKUEGB-MPNWYJEXSA-N 1 2 262.303 3.214 20 30 CGEDLO C[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232291 347559834 /nfs/dbraw/zinc/55/98/34/347559834.db2.gz SIBFUYNXOVXJGT-ABAIWWIYSA-N 1 2 264.319 3.304 20 30 CGEDLO C[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1cc(F)cc(F)c1 ZINC000597232291 347559839 /nfs/dbraw/zinc/55/98/39/347559839.db2.gz SIBFUYNXOVXJGT-ABAIWWIYSA-N 1 2 264.319 3.304 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000598650723 347675761 /nfs/dbraw/zinc/67/57/61/347675761.db2.gz WNYOZEIMQLDBBU-DEYYWGMASA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000598650723 347675763 /nfs/dbraw/zinc/67/57/63/347675763.db2.gz WNYOZEIMQLDBBU-DEYYWGMASA-N 1 2 299.418 3.006 20 30 CGEDLO CC[N@H+](Cc1nc(C)c(C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000600108525 347780180 /nfs/dbraw/zinc/78/01/80/347780180.db2.gz YWRGMCMUNWCBEU-CQSZACIVSA-N 1 2 282.391 3.481 20 30 CGEDLO CC[N@@H+](Cc1nc(C)c(C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000600108525 347780182 /nfs/dbraw/zinc/78/01/82/347780182.db2.gz YWRGMCMUNWCBEU-CQSZACIVSA-N 1 2 282.391 3.481 20 30 CGEDLO CCN(Cc1[nH]c(C)c(C)[nH+]1)[C@H](C)c1ccc(C#N)cc1 ZINC000600108525 347780185 /nfs/dbraw/zinc/78/01/85/347780185.db2.gz YWRGMCMUNWCBEU-CQSZACIVSA-N 1 2 282.391 3.481 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000600213875 347794073 /nfs/dbraw/zinc/79/40/73/347794073.db2.gz QLRJKHGLPVYGBE-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000600213875 347794077 /nfs/dbraw/zinc/79/40/77/347794077.db2.gz QLRJKHGLPVYGBE-UHFFFAOYSA-N 1 2 288.347 3.153 20 30 CGEDLO N#Cc1ccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)cc1 ZINC000600775627 347834097 /nfs/dbraw/zinc/83/40/97/347834097.db2.gz KAUJLQZJXQRVNT-MRXNPFEDSA-N 1 2 279.343 3.211 20 30 CGEDLO CC(C)c1nc2[nH]ccc2c(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC000601191730 347879245 /nfs/dbraw/zinc/87/92/45/347879245.db2.gz QBYCTSDVNIBFGO-GFCCVEGCSA-N 1 2 283.379 3.211 20 30 CGEDLO CC(C)n1cc[nH+]c1CNc1cc(F)cc(C#N)c1 ZINC000601063699 347862260 /nfs/dbraw/zinc/86/22/60/347862260.db2.gz IFEIOUNHQDTIKF-UHFFFAOYSA-N 1 2 258.300 3.087 20 30 CGEDLO N#CC1(C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000602642335 348000003 /nfs/dbraw/zinc/00/00/03/348000003.db2.gz JCSBMVKSZJZBLX-UHFFFAOYSA-N 1 2 260.724 3.480 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)n1 ZINC000602659447 348002796 /nfs/dbraw/zinc/00/27/96/348002796.db2.gz QHITZJIVUFFSBS-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)n1 ZINC000602659447 348002797 /nfs/dbraw/zinc/00/27/97/348002797.db2.gz QHITZJIVUFFSBS-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO C[C@H](CCC#N)C[NH2+][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000602709573 348014906 /nfs/dbraw/zinc/01/49/06/348014906.db2.gz LMTGNASPLBSKTH-WOPDTQHZSA-N 1 2 278.318 3.016 20 30 CGEDLO C[C@H](CCC#N)C[NH2+][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000602709570 348015218 /nfs/dbraw/zinc/01/52/18/348015218.db2.gz LMTGNASPLBSKTH-GRYCIOLGSA-N 1 2 278.318 3.016 20 30 CGEDLO CC1(F)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000602741690 348022182 /nfs/dbraw/zinc/02/21/82/348022182.db2.gz LIGQHJBYUXGSBV-UHFFFAOYSA-N 1 2 250.292 3.021 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC ZINC000602741002 348022302 /nfs/dbraw/zinc/02/23/02/348022302.db2.gz YMPAVNRYEHASMW-XJFOESAGSA-N 1 2 293.432 3.338 20 30 CGEDLO N#CCC1(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000602767878 348025111 /nfs/dbraw/zinc/02/51/11/348025111.db2.gz KNDJRYCFIJSYRF-HNNXBMFYSA-N 1 2 290.794 3.407 20 30 CGEDLO N#CCC1(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000602767878 348025114 /nfs/dbraw/zinc/02/51/14/348025114.db2.gz KNDJRYCFIJSYRF-HNNXBMFYSA-N 1 2 290.794 3.407 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1OC(F)F)CC1CC1 ZINC000081044378 260329566 /nfs/dbraw/zinc/32/95/66/260329566.db2.gz QCXHYHWGWREVNB-UHFFFAOYSA-N 1 2 280.318 3.414 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1OC(F)F)CC1CC1 ZINC000081044378 260329568 /nfs/dbraw/zinc/32/95/68/260329568.db2.gz QCXHYHWGWREVNB-UHFFFAOYSA-N 1 2 280.318 3.414 20 30 CGEDLO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc[nH+]cc1F ZINC000603400646 348079644 /nfs/dbraw/zinc/07/96/44/348079644.db2.gz UNRMIMIBOISOSQ-HNNXBMFYSA-N 1 2 267.307 3.004 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000602848939 348036489 /nfs/dbraw/zinc/03/64/89/348036489.db2.gz YPIFDYHNSSROSA-LBPRGKRZSA-N 1 2 296.374 3.087 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000602848939 348036491 /nfs/dbraw/zinc/03/64/91/348036491.db2.gz YPIFDYHNSSROSA-LBPRGKRZSA-N 1 2 296.374 3.087 20 30 CGEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000602861775 348037547 /nfs/dbraw/zinc/03/75/47/348037547.db2.gz JCNJVKQDNMRWEV-OLZOCXBDSA-N 1 2 287.407 3.203 20 30 CGEDLO Cc1nc(-c2ccccc2)oc1C[NH2+][C@@H](C)CC#N ZINC000602871816 348039392 /nfs/dbraw/zinc/03/93/92/348039392.db2.gz XNAHMBOXOUKRLG-NSHDSACASA-N 1 2 255.321 3.042 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccco1 ZINC000602925630 348045253 /nfs/dbraw/zinc/04/52/53/348045253.db2.gz JSMGRMXJNGWRMI-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccco1 ZINC000602925630 348045256 /nfs/dbraw/zinc/04/52/56/348045256.db2.gz JSMGRMXJNGWRMI-OAHLLOKOSA-N 1 2 267.332 3.129 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602977751 348049202 /nfs/dbraw/zinc/04/92/02/348049202.db2.gz GPSQAPOQICOATA-QMTHXVAHSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602977751 348049206 /nfs/dbraw/zinc/04/92/06/348049206.db2.gz GPSQAPOQICOATA-QMTHXVAHSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[C@@H]1C#N ZINC000602981308 348051446 /nfs/dbraw/zinc/05/14/46/348051446.db2.gz BDRDAAFALXLBMT-QAPCUYQASA-N 1 2 292.386 3.268 20 30 CGEDLO C[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@H]1CCC[C@@H]1C#N ZINC000602981308 348051449 /nfs/dbraw/zinc/05/14/49/348051449.db2.gz BDRDAAFALXLBMT-QAPCUYQASA-N 1 2 292.386 3.268 20 30 CGEDLO Cc1cc(C)c(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c(C)[nH+]1 ZINC000603017673 348054593 /nfs/dbraw/zinc/05/45/93/348054593.db2.gz WTGSKZOHJDLJKX-KBPBESRZSA-N 1 2 286.379 3.163 20 30 CGEDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1cccc(C#N)c1 ZINC000610343404 348376598 /nfs/dbraw/zinc/37/65/98/348376598.db2.gz FZABNVGTHDRHOO-MNOVXSKESA-N 1 2 282.347 3.230 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3c(Cl)cccc3C2)ccn1 ZINC000610993182 348415024 /nfs/dbraw/zinc/41/50/24/348415024.db2.gz GLPWJCOVTUUEEZ-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)ccn1 ZINC000610993182 348415026 /nfs/dbraw/zinc/41/50/26/348415026.db2.gz GLPWJCOVTUUEEZ-UHFFFAOYSA-N 1 2 283.762 3.165 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(C#N)c1 ZINC000610994567 348416138 /nfs/dbraw/zinc/41/61/38/348416138.db2.gz KMNHZBXHUGYUGB-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(C#N)c1 ZINC000610994567 348416142 /nfs/dbraw/zinc/41/61/42/348416142.db2.gz KMNHZBXHUGYUGB-UHFFFAOYSA-N 1 2 270.380 3.105 20 30 CGEDLO CC(C)(C)OCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000610681994 348396256 /nfs/dbraw/zinc/39/62/56/348396256.db2.gz JSWLCSGXHDUEPJ-UHFFFAOYSA-N 1 2 275.396 3.002 20 30 CGEDLO CC(C)(C)OCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000610681994 348396260 /nfs/dbraw/zinc/39/62/60/348396260.db2.gz JSWLCSGXHDUEPJ-UHFFFAOYSA-N 1 2 275.396 3.002 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268818 348432967 /nfs/dbraw/zinc/43/29/67/348432967.db2.gz MDADRXPVMANTOR-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268818 348432970 /nfs/dbraw/zinc/43/29/70/348432970.db2.gz MDADRXPVMANTOR-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1n[nH]c2ccccc21 ZINC000611268818 348432976 /nfs/dbraw/zinc/43/29/76/348432976.db2.gz MDADRXPVMANTOR-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1n[nH]c2ccccc21 ZINC000611268818 348432980 /nfs/dbraw/zinc/43/29/80/348432980.db2.gz MDADRXPVMANTOR-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268853 348433051 /nfs/dbraw/zinc/43/30/51/348433051.db2.gz LGIJLRRVKLYTTJ-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268853 348433052 /nfs/dbraw/zinc/43/30/52/348433052.db2.gz LGIJLRRVKLYTTJ-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1n[nH]c2ccccc21 ZINC000611268853 348433056 /nfs/dbraw/zinc/43/30/56/348433056.db2.gz LGIJLRRVKLYTTJ-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1n[nH]c2ccccc21 ZINC000611268853 348433059 /nfs/dbraw/zinc/43/30/59/348433059.db2.gz LGIJLRRVKLYTTJ-UHFFFAOYSA-N 1 2 270.380 3.325 20 30 CGEDLO COc1ccc[nH+]c1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611477171 348455044 /nfs/dbraw/zinc/45/50/44/348455044.db2.gz DPTRTQRNGILGAW-OAHLLOKOSA-N 1 2 279.343 3.451 20 30 CGEDLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611727543 348471943 /nfs/dbraw/zinc/47/19/43/348471943.db2.gz YPYCWIJDBYIIMA-CJNGLKHVSA-N 1 2 288.391 3.187 20 30 CGEDLO C=C[C@H](O)C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000611830428 348477198 /nfs/dbraw/zinc/47/71/98/348477198.db2.gz DKRCLRCARYOUHO-HNNXBMFYSA-N 1 2 299.374 3.096 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000612406234 348516573 /nfs/dbraw/zinc/51/65/73/348516573.db2.gz JZHAQSNJZNVXLH-INIZCTEOSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000612406234 348516575 /nfs/dbraw/zinc/51/65/75/348516575.db2.gz JZHAQSNJZNVXLH-INIZCTEOSA-N 1 2 298.415 3.331 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000612406104 348516969 /nfs/dbraw/zinc/51/69/69/348516969.db2.gz IGZJWIIZXQNRFR-KRWDZBQOSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000612406104 348516972 /nfs/dbraw/zinc/51/69/72/348516972.db2.gz IGZJWIIZXQNRFR-KRWDZBQOSA-N 1 2 280.375 3.202 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000612435213 348520241 /nfs/dbraw/zinc/52/02/41/348520241.db2.gz PCJSEPDDTOWGLK-JTQLQIEISA-N 1 2 275.352 3.341 20 30 CGEDLO C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000615652177 348755553 /nfs/dbraw/zinc/75/55/53/348755553.db2.gz RVRZFHGQNVYAQT-HOCLYGCPSA-N 1 2 260.356 3.193 20 30 CGEDLO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@](F)(C#N)C1 ZINC000615652177 348755559 /nfs/dbraw/zinc/75/55/59/348755559.db2.gz RVRZFHGQNVYAQT-HOCLYGCPSA-N 1 2 260.356 3.193 20 30 CGEDLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1C#N ZINC000618594369 349115772 /nfs/dbraw/zinc/11/57/72/349115772.db2.gz LGCNODUBFHELAY-SMDDNHRTSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1C#N ZINC000618594369 349115774 /nfs/dbraw/zinc/11/57/74/349115774.db2.gz LGCNODUBFHELAY-SMDDNHRTSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000619546622 349258420 /nfs/dbraw/zinc/25/84/20/349258420.db2.gz UNHKZCAXCDYTJF-UHFFFAOYSA-N 1 2 292.298 3.102 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000619554165 349259256 /nfs/dbraw/zinc/25/92/56/349259256.db2.gz VKTZBCPMTNGJMA-UHFFFAOYSA-N 1 2 292.386 3.204 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC=C(C)C2)c1C#N ZINC000619554165 349259257 /nfs/dbraw/zinc/25/92/57/349259257.db2.gz VKTZBCPMTNGJMA-UHFFFAOYSA-N 1 2 292.386 3.204 20 30 CGEDLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)no1 ZINC000619704963 349277051 /nfs/dbraw/zinc/27/70/51/349277051.db2.gz WMVCQWJMZZDUPN-VXGBXAGGSA-N 1 2 255.321 3.267 20 30 CGEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2sccc2Cl)CC1 ZINC000619808835 349286025 /nfs/dbraw/zinc/28/60/25/349286025.db2.gz DVGVAPNMHJGOBX-ZDUSSCGKSA-N 1 2 297.855 3.067 20 30 CGEDLO Cc1cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(C#N)cc1[N+](=O)[O-] ZINC000413311243 235267726 /nfs/dbraw/zinc/26/77/26/235267726.db2.gz DRQFSEUTAQGKGY-ZWNOBZJWSA-N 1 2 297.318 3.089 20 30 CGEDLO C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)c2nccn21 ZINC000296672079 291082475 /nfs/dbraw/zinc/08/24/75/291082475.db2.gz FYHUSLQWWZOXLS-SWLSCSKDSA-N 1 2 278.359 3.039 20 30 CGEDLO Cc1ccc(OCCN(C)c2cc(C)[nH+]cc2C#N)cc1 ZINC000425207866 236220717 /nfs/dbraw/zinc/22/07/17/236220717.db2.gz LTJVYUUHCMMVBH-UHFFFAOYSA-N 1 2 281.359 3.085 20 30 CGEDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428377423 236399502 /nfs/dbraw/zinc/39/95/02/236399502.db2.gz HFJOWSDNZHOKKH-QGZVFWFLSA-N 1 2 283.350 3.373 20 30 CGEDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428377423 236399505 /nfs/dbraw/zinc/39/95/05/236399505.db2.gz HFJOWSDNZHOKKH-QGZVFWFLSA-N 1 2 283.350 3.373 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1[N+](=O)[O-] ZINC000342288903 216293359 /nfs/dbraw/zinc/29/33/59/216293359.db2.gz AKWCGPDOLDRBHV-LLVKDONJSA-N 1 2 299.305 3.456 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000119968478 370727831 /nfs/dbraw/zinc/72/78/31/370727831.db2.gz ULTTTXGVMRPQTA-UHFFFAOYSA-N 1 2 264.319 3.263 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000119968478 370727833 /nfs/dbraw/zinc/72/78/33/370727833.db2.gz ULTTTXGVMRPQTA-UHFFFAOYSA-N 1 2 264.319 3.263 20 30 CGEDLO C[C@@H](c1csnn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450644573 240016298 /nfs/dbraw/zinc/01/62/98/240016298.db2.gz FWSQXSHQWRSGEV-LBPRGKRZSA-N 1 2 296.399 3.260 20 30 CGEDLO C[C@@H](c1csnn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000450644573 240016300 /nfs/dbraw/zinc/01/63/00/240016300.db2.gz FWSQXSHQWRSGEV-LBPRGKRZSA-N 1 2 296.399 3.260 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000121221607 370840950 /nfs/dbraw/zinc/84/09/50/370840950.db2.gz VALKXIRZGWMSSG-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO C=CC[N@H+](C)Cc1ccc(F)cc1Br ZINC000121221607 370840954 /nfs/dbraw/zinc/84/09/54/370840954.db2.gz VALKXIRZGWMSSG-UHFFFAOYSA-N 1 2 258.134 3.206 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1csc(Br)c1 ZINC000042324231 369213524 /nfs/dbraw/zinc/21/35/24/369213524.db2.gz JYFGADNWZAFPMU-QMMMGPOBSA-N 1 2 273.199 3.102 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1csc(Br)c1 ZINC000042324231 369213528 /nfs/dbraw/zinc/21/35/28/369213528.db2.gz JYFGADNWZAFPMU-QMMMGPOBSA-N 1 2 273.199 3.102 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000127582990 370955001 /nfs/dbraw/zinc/95/50/01/370955001.db2.gz WBKXHDVEWJTXFF-UHFFFAOYSA-N 1 2 296.418 3.284 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000127582990 370955006 /nfs/dbraw/zinc/95/50/06/370955006.db2.gz WBKXHDVEWJTXFF-UHFFFAOYSA-N 1 2 296.418 3.284 20 30 CGEDLO N#CCC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000128776619 370965077 /nfs/dbraw/zinc/96/50/77/370965077.db2.gz DRQYPNCCKXZULZ-UHFFFAOYSA-N 1 2 264.756 3.097 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(C(C)C)n1 ZINC000065959248 369687242 /nfs/dbraw/zinc/68/72/42/369687242.db2.gz HJFHNTICJLQZNH-UHFFFAOYSA-N 1 2 285.391 3.424 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(C(C)C)n1 ZINC000065959248 369687243 /nfs/dbraw/zinc/68/72/43/369687243.db2.gz HJFHNTICJLQZNH-UHFFFAOYSA-N 1 2 285.391 3.424 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(C(C)C)cc1 ZINC000070142992 369782854 /nfs/dbraw/zinc/78/28/54/369782854.db2.gz UZBBWUPVBSWFRJ-UHFFFAOYSA-N 1 2 260.381 3.172 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(C)C)cc1 ZINC000070142992 369782857 /nfs/dbraw/zinc/78/28/57/369782857.db2.gz UZBBWUPVBSWFRJ-UHFFFAOYSA-N 1 2 260.381 3.172 20 30 CGEDLO CC[N@H+](Cc1ncc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000075645712 369915334 /nfs/dbraw/zinc/91/53/34/369915334.db2.gz SJTZLPMKARJTOI-ZDUSSCGKSA-N 1 2 269.348 3.438 20 30 CGEDLO CC[N@@H+](Cc1ncc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000075645712 369915337 /nfs/dbraw/zinc/91/53/37/369915337.db2.gz SJTZLPMKARJTOI-ZDUSSCGKSA-N 1 2 269.348 3.438 20 30 CGEDLO CN(CCC#N)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000085590544 370018868 /nfs/dbraw/zinc/01/88/68/370018868.db2.gz FJKLRSCHGOFALQ-UHFFFAOYSA-N 1 2 296.330 3.251 20 30 CGEDLO C[C@H](SCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000090201461 370057383 /nfs/dbraw/zinc/05/73/83/370057383.db2.gz DOCCNUPBKBHUCC-LBPRGKRZSA-N 1 2 257.362 3.249 20 30 CGEDLO C[N@H+](C/C(Cl)=C/Cl)Cc1cccc(C#N)c1 ZINC000092025858 370088378 /nfs/dbraw/zinc/08/83/78/370088378.db2.gz GCBWDWRSRWAKKV-SDQBBNPISA-N 1 2 255.148 3.309 20 30 CGEDLO C[N@@H+](C/C(Cl)=C/Cl)Cc1cccc(C#N)c1 ZINC000092025858 370088382 /nfs/dbraw/zinc/08/83/82/370088382.db2.gz GCBWDWRSRWAKKV-SDQBBNPISA-N 1 2 255.148 3.309 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000103138529 370319353 /nfs/dbraw/zinc/31/93/53/370319353.db2.gz POJFKDMAMSSUHP-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO CC(C)c1nc(NCc2cccc(C#N)c2)cc[nH+]1 ZINC000110201980 370372856 /nfs/dbraw/zinc/37/28/56/370372856.db2.gz RHBKEPNINLJTSI-UHFFFAOYSA-N 1 2 252.321 3.084 20 30 CGEDLO Cc1cc(O)c(C[N@H+](CCC#N)Cc2ccccn2)cc1C ZINC000103459948 370329485 /nfs/dbraw/zinc/32/94/85/370329485.db2.gz MTNWHCHRRAMCLY-UHFFFAOYSA-N 1 2 295.386 3.320 20 30 CGEDLO Cc1cc(O)c(C[N@@H+](CCC#N)Cc2ccccn2)cc1C ZINC000103459948 370329490 /nfs/dbraw/zinc/32/94/90/370329490.db2.gz MTNWHCHRRAMCLY-UHFFFAOYSA-N 1 2 295.386 3.320 20 30 CGEDLO CC(C)c1cc(N2CCC(C#N)CC2)nc(C(C)C)[nH+]1 ZINC000134743040 371361473 /nfs/dbraw/zinc/36/14/73/371361473.db2.gz KPXDECXUEXDXFK-UHFFFAOYSA-N 1 2 272.396 3.463 20 30 CGEDLO COc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1C#N ZINC000135156631 371395498 /nfs/dbraw/zinc/39/54/98/371395498.db2.gz MEOMCKHEKZXKFC-OAHLLOKOSA-N 1 2 296.374 3.017 20 30 CGEDLO C=C[C@@](C)(CC)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000288920217 371746851 /nfs/dbraw/zinc/74/68/51/371746851.db2.gz HOLIOBLREUKWED-INIZCTEOSA-N 1 2 295.346 3.171 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000288962530 371749012 /nfs/dbraw/zinc/74/90/12/371749012.db2.gz LITRFGRYVBPMMY-LBPRGKRZSA-N 1 2 295.346 3.387 20 30 CGEDLO Cc1cnc([C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344139257 217068260 /nfs/dbraw/zinc/06/82/60/217068260.db2.gz KSTAFSYGNBNVJJ-CQSZACIVSA-N 1 2 299.374 3.064 20 30 CGEDLO Cc1cnc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000344139257 217068263 /nfs/dbraw/zinc/06/82/63/217068263.db2.gz KSTAFSYGNBNVJJ-CQSZACIVSA-N 1 2 299.374 3.064 20 30 CGEDLO C#CC[N@H+](Cc1nccn1Cc1ccccc1)C1CCCC1 ZINC000155845748 371947825 /nfs/dbraw/zinc/94/78/25/371947825.db2.gz UHVDNWLVEFIJDU-UHFFFAOYSA-N 1 2 293.414 3.309 20 30 CGEDLO C#CC[N@@H+](Cc1nccn1Cc1ccccc1)C1CCCC1 ZINC000155845748 371947833 /nfs/dbraw/zinc/94/78/33/371947833.db2.gz UHVDNWLVEFIJDU-UHFFFAOYSA-N 1 2 293.414 3.309 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157634306 372029518 /nfs/dbraw/zinc/02/95/18/372029518.db2.gz NNJMGDURKQDCHM-UONOGXRCSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000157634306 372029521 /nfs/dbraw/zinc/02/95/21/372029521.db2.gz NNJMGDURKQDCHM-UONOGXRCSA-N 1 2 287.407 3.058 20 30 CGEDLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cs1 ZINC000344209329 217099181 /nfs/dbraw/zinc/09/91/81/217099181.db2.gz IWXNSJZNBJYNGU-MRVPVSSYSA-N 1 2 263.391 3.236 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000161310115 372316542 /nfs/dbraw/zinc/31/65/42/372316542.db2.gz SHZSGMAQYUJRPL-UHFFFAOYSA-N 1 2 264.369 3.025 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)CCS1 ZINC000161310115 372316544 /nfs/dbraw/zinc/31/65/44/372316544.db2.gz SHZSGMAQYUJRPL-UHFFFAOYSA-N 1 2 264.369 3.025 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000161714877 372349500 /nfs/dbraw/zinc/34/95/00/372349500.db2.gz XCFVZSFLSCGBGI-GFCCVEGCSA-N 1 2 280.293 3.291 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000161714877 372349503 /nfs/dbraw/zinc/34/95/03/372349503.db2.gz XCFVZSFLSCGBGI-GFCCVEGCSA-N 1 2 280.293 3.291 20 30 CGEDLO CC(C)(C)OC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433020925 372577410 /nfs/dbraw/zinc/57/74/10/372577410.db2.gz PBMWNYWAEHJGEL-HNNXBMFYSA-N 1 2 288.391 3.353 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000433304044 372587753 /nfs/dbraw/zinc/58/77/53/372587753.db2.gz MFXPXEILFKODML-CQSZACIVSA-N 1 2 293.455 3.038 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000433304044 372587759 /nfs/dbraw/zinc/58/77/59/372587759.db2.gz MFXPXEILFKODML-CQSZACIVSA-N 1 2 293.455 3.038 20 30 CGEDLO Cc1cc(C[N@@H+]2CCOc3c(F)cccc3C2)ccc1C#N ZINC000434617205 372694873 /nfs/dbraw/zinc/69/48/73/372694873.db2.gz UBERLWRWNSYSMO-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1cc(C[N@H+]2CCOc3c(F)cccc3C2)ccc1C#N ZINC000434617205 372694875 /nfs/dbraw/zinc/69/48/75/372694875.db2.gz UBERLWRWNSYSMO-UHFFFAOYSA-N 1 2 296.345 3.400 20 30 CGEDLO Cc1c(Cl)cnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C#N ZINC000333667086 291553154 /nfs/dbraw/zinc/55/31/54/291553154.db2.gz IBSOPRUHYPIBDZ-QPUJVOFHSA-N 1 2 287.754 3.230 20 30 CGEDLO C=CC[C@@H](CC)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000440649546 372991376 /nfs/dbraw/zinc/99/13/76/372991376.db2.gz QTJHKFHAIIQDTI-CQSZACIVSA-N 1 2 268.364 3.036 20 30 CGEDLO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000173582420 373159220 /nfs/dbraw/zinc/15/92/20/373159220.db2.gz LWZZQNJPMMJHNZ-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000173582420 373159231 /nfs/dbraw/zinc/15/92/31/373159231.db2.gz LWZZQNJPMMJHNZ-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccco1 ZINC000296638040 373204362 /nfs/dbraw/zinc/20/43/62/373204362.db2.gz XXNKOYSBRUOXTH-GFCCVEGCSA-N 1 2 274.368 3.318 20 30 CGEDLO CCOC(=O)CCCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444739111 373256451 /nfs/dbraw/zinc/25/64/51/373256451.db2.gz UODUJUQHNGHHDS-AWEZNQCLSA-N 1 2 280.412 3.124 20 30 CGEDLO CCOC(=O)CCCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444739111 373256454 /nfs/dbraw/zinc/25/64/54/373256454.db2.gz UODUJUQHNGHHDS-AWEZNQCLSA-N 1 2 280.412 3.124 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000298049453 373290049 /nfs/dbraw/zinc/29/00/49/373290049.db2.gz DYZOZFQROJDBMT-LLVKDONJSA-N 1 2 277.318 3.448 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000298049453 373290054 /nfs/dbraw/zinc/29/00/54/373290054.db2.gz DYZOZFQROJDBMT-LLVKDONJSA-N 1 2 277.318 3.448 20 30 CGEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)o1)c1nccs1 ZINC000174419782 373312746 /nfs/dbraw/zinc/31/27/46/373312746.db2.gz WOGWQTMWQOIXLB-CYBMUJFWSA-N 1 2 261.350 3.023 20 30 CGEDLO N#Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000298430111 373326038 /nfs/dbraw/zinc/32/60/38/373326038.db2.gz MZWXIMVTLTXZPC-UHFFFAOYSA-N 1 2 278.359 3.166 20 30 CGEDLO C=C(C[NH2+][C@@H](c1ncc[nH]1)c1ccccn1)c1ccccc1 ZINC000447545019 373448032 /nfs/dbraw/zinc/44/80/32/373448032.db2.gz QFBRMFCUKMUDNZ-QGZVFWFLSA-N 1 2 290.370 3.197 20 30 CGEDLO C=C(CN[C@@H](c1[nH]cc[nH+]1)c1ccccn1)c1ccccc1 ZINC000447545019 373448042 /nfs/dbraw/zinc/44/80/42/373448042.db2.gz QFBRMFCUKMUDNZ-QGZVFWFLSA-N 1 2 290.370 3.197 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000447825048 373501015 /nfs/dbraw/zinc/50/10/15/373501015.db2.gz BIYDOIOMOOXOOQ-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000447825048 373501018 /nfs/dbraw/zinc/50/10/18/373501018.db2.gz BIYDOIOMOOXOOQ-INIZCTEOSA-N 1 2 291.822 3.438 20 30 CGEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc2ccccc21 ZINC000449013232 373654248 /nfs/dbraw/zinc/65/42/48/373654248.db2.gz BOMQCVKCEIUXCS-ZDUSSCGKSA-N 1 2 268.360 3.440 20 30 CGEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc2ccccc21 ZINC000449013232 373654252 /nfs/dbraw/zinc/65/42/52/373654252.db2.gz BOMQCVKCEIUXCS-ZDUSSCGKSA-N 1 2 268.360 3.440 20 30 CGEDLO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000302187904 373825401 /nfs/dbraw/zinc/82/54/01/373825401.db2.gz UXDFOYHGWBZZIR-CYBMUJFWSA-N 1 2 286.350 3.464 20 30 CGEDLO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(C(C)(C)C)n1 ZINC000180059904 373960820 /nfs/dbraw/zinc/96/08/20/373960820.db2.gz GTVHMWPYKXVMPO-UHFFFAOYSA-N 1 2 290.455 3.479 20 30 CGEDLO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(C(C)(C)C)n1 ZINC000180059904 373960827 /nfs/dbraw/zinc/96/08/27/373960827.db2.gz GTVHMWPYKXVMPO-UHFFFAOYSA-N 1 2 290.455 3.479 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000179734881 373909519 /nfs/dbraw/zinc/90/95/19/373909519.db2.gz WCBXWFDZEFYPID-UHFFFAOYSA-N 1 2 252.720 3.215 20 30 CGEDLO Cc1cccn2c(CNc3cccc(C#N)c3C)c[nH+]c12 ZINC000181450606 374125041 /nfs/dbraw/zinc/12/50/41/374125041.db2.gz CLKVUWZPBYSWJP-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450452784 374140448 /nfs/dbraw/zinc/14/04/48/374140448.db2.gz KLTQAZWVPPSMAN-XCLFUZPHSA-N 1 2 290.432 3.111 20 30 CGEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450452784 374140453 /nfs/dbraw/zinc/14/04/53/374140453.db2.gz KLTQAZWVPPSMAN-XCLFUZPHSA-N 1 2 290.432 3.111 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000450608975 374164661 /nfs/dbraw/zinc/16/46/61/374164661.db2.gz CSYISQFBSTYCIS-LBPRGKRZSA-N 1 2 256.349 3.013 20 30 CGEDLO CC(=O)c1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000450608975 374164670 /nfs/dbraw/zinc/16/46/70/374164670.db2.gz CSYISQFBSTYCIS-LBPRGKRZSA-N 1 2 256.349 3.013 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@H]2CCCOCC2)c(O)c1 ZINC000182699287 374316636 /nfs/dbraw/zinc/31/66/36/374316636.db2.gz CMLGCABJRKHRPY-IQGJIOQQSA-N 1 2 277.364 3.169 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183820207 374460855 /nfs/dbraw/zinc/46/08/55/374460855.db2.gz CCYMXXAOXKUCSZ-LLVKDONJSA-N 1 2 285.303 3.104 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000183825167 374461915 /nfs/dbraw/zinc/46/19/15/374461915.db2.gz MIUBXEOGVZGKHT-SECBINFHSA-N 1 2 263.391 3.121 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000183825343 374462420 /nfs/dbraw/zinc/46/24/20/374462420.db2.gz LZDVBBZTUJAEBZ-ZDUSSCGKSA-N 1 2 258.365 3.257 20 30 CGEDLO COc1cccc2c1[nH+]c(NCc1cc(C#N)cs1)n2C ZINC000184794191 374561329 /nfs/dbraw/zinc/56/13/29/374561329.db2.gz MRJDPEXLELCICR-UHFFFAOYSA-N 1 2 298.371 3.127 20 30 CGEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)on1 ZINC000334370264 374691777 /nfs/dbraw/zinc/69/17/77/374691777.db2.gz VRSBJMHPSGDJPT-CQSZACIVSA-N 1 2 285.322 3.331 20 30 CGEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)on1 ZINC000334370264 374691779 /nfs/dbraw/zinc/69/17/79/374691779.db2.gz VRSBJMHPSGDJPT-CQSZACIVSA-N 1 2 285.322 3.331 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334454385 374763656 /nfs/dbraw/zinc/76/36/56/374763656.db2.gz MYAPBHHVNDQCOG-QZTJIDSGSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000334454385 374763661 /nfs/dbraw/zinc/76/36/61/374763661.db2.gz MYAPBHHVNDQCOG-QZTJIDSGSA-N 1 2 296.345 3.005 20 30 CGEDLO C=CCC[C@H](C(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000187293047 374997680 /nfs/dbraw/zinc/99/76/80/374997680.db2.gz KQRCVYHTOBMFFY-KRWDZBQOSA-N 1 2 297.402 3.139 20 30 CGEDLO C[C@H]([NH2+]CCCCC#N)c1ccc(F)c(F)c1O ZINC000187697344 375075231 /nfs/dbraw/zinc/07/52/31/375075231.db2.gz GOAKZMFPROAZGT-VIFPVBQESA-N 1 2 254.280 3.015 20 30 CGEDLO C=CCC1(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000189340006 375370679 /nfs/dbraw/zinc/37/06/79/375370679.db2.gz CXGVGASSBCQXNV-CABCVRRESA-N 1 2 287.407 3.039 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000335835153 375468549 /nfs/dbraw/zinc/46/85/49/375468549.db2.gz AJSFXCPADOAYCZ-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000335835153 375468551 /nfs/dbraw/zinc/46/85/51/375468551.db2.gz AJSFXCPADOAYCZ-KRWDZBQOSA-N 1 2 281.334 3.429 20 30 CGEDLO CCc1[nH+]c(C)ccc1OCc1ccc(C#N)cc1 ZINC000190764491 375537690 /nfs/dbraw/zinc/53/76/90/375537690.db2.gz BKGHNGNJPPMPBP-UHFFFAOYSA-N 1 2 252.317 3.403 20 30 CGEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000336094155 375682528 /nfs/dbraw/zinc/68/25/28/375682528.db2.gz OCEJJMVVRZLQOI-ZDUSSCGKSA-N 1 2 259.353 3.271 20 30 CGEDLO C[C@H]1C[N@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000336491966 375800159 /nfs/dbraw/zinc/80/01/59/375800159.db2.gz CIRLTLAWWJGYNO-XHDPSFHLSA-N 1 2 269.373 3.208 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]1c1ccccc1 ZINC000336491966 375800163 /nfs/dbraw/zinc/80/01/63/375800163.db2.gz CIRLTLAWWJGYNO-XHDPSFHLSA-N 1 2 269.373 3.208 20 30 CGEDLO C[C@H](C#N)C[N@H+](CCOc1ccccc1Cl)C1CC1 ZINC000533598061 375956992 /nfs/dbraw/zinc/95/69/92/375956992.db2.gz MXASAILOOKGTKL-GFCCVEGCSA-N 1 2 278.783 3.343 20 30 CGEDLO C[C@H](C#N)C[N@@H+](CCOc1ccccc1Cl)C1CC1 ZINC000533598061 375956996 /nfs/dbraw/zinc/95/69/96/375956996.db2.gz MXASAILOOKGTKL-GFCCVEGCSA-N 1 2 278.783 3.343 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC000536646009 376107845 /nfs/dbraw/zinc/10/78/45/376107845.db2.gz GGZYYJPOXPTHNG-UHFFFAOYSA-N 1 2 282.391 3.055 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC000536646009 376107851 /nfs/dbraw/zinc/10/78/51/376107851.db2.gz GGZYYJPOXPTHNG-UHFFFAOYSA-N 1 2 282.391 3.055 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000337180727 376118991 /nfs/dbraw/zinc/11/89/91/376118991.db2.gz MAMZPUCHAJPEMS-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000337180727 376118996 /nfs/dbraw/zinc/11/89/96/376118996.db2.gz MAMZPUCHAJPEMS-ZDUSSCGKSA-N 1 2 265.360 3.359 20 30 CGEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000337080824 376074064 /nfs/dbraw/zinc/07/40/64/376074064.db2.gz XQFUEGJZJQXAGJ-STQMWFEESA-N 1 2 289.423 3.109 20 30 CGEDLO C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000337080824 376074071 /nfs/dbraw/zinc/07/40/71/376074071.db2.gz XQFUEGJZJQXAGJ-STQMWFEESA-N 1 2 289.423 3.109 20 30 CGEDLO C=C(CC)C[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000538003097 376217360 /nfs/dbraw/zinc/21/73/60/376217360.db2.gz WEYZFSDZRCJQDQ-UHFFFAOYSA-N 1 2 281.783 3.281 20 30 CGEDLO C=C(CC)C[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1 ZINC000538003097 376217363 /nfs/dbraw/zinc/21/73/63/376217363.db2.gz WEYZFSDZRCJQDQ-UHFFFAOYSA-N 1 2 281.783 3.281 20 30 CGEDLO C=C(CC)C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000538037675 376219235 /nfs/dbraw/zinc/21/92/35/376219235.db2.gz IPYAYBGDFAIEKT-INIZCTEOSA-N 1 2 263.356 3.474 20 30 CGEDLO C=C(CC)C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000538037675 376219243 /nfs/dbraw/zinc/21/92/43/376219243.db2.gz IPYAYBGDFAIEKT-INIZCTEOSA-N 1 2 263.356 3.474 20 30 CGEDLO CC(C)[C@@H](C#N)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337825185 376241370 /nfs/dbraw/zinc/24/13/70/376241370.db2.gz QKAJHIUZTWVWNV-OAHLLOKOSA-N 1 2 295.342 3.152 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000264487254 190113513 /nfs/dbraw/zinc/11/35/13/190113513.db2.gz RQVZUCOVLVXACG-AWEZNQCLSA-N 1 2 288.391 3.064 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000554496283 376850364 /nfs/dbraw/zinc/85/03/64/376850364.db2.gz MUPFTVCLBQSOCJ-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000554496283 376850374 /nfs/dbraw/zinc/85/03/74/376850374.db2.gz MUPFTVCLBQSOCJ-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000555752593 376860400 /nfs/dbraw/zinc/86/04/00/376860400.db2.gz GMSCWOVZKSRAML-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000555752593 376860408 /nfs/dbraw/zinc/86/04/08/376860408.db2.gz GMSCWOVZKSRAML-SNVBAGLBSA-N 1 2 299.201 3.276 20 30 CGEDLO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000556810189 376882955 /nfs/dbraw/zinc/88/29/55/376882955.db2.gz TUMHLLSBMXBOKT-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000556810189 376882964 /nfs/dbraw/zinc/88/29/64/376882964.db2.gz TUMHLLSBMXBOKT-HNNXBMFYSA-N 1 2 267.319 3.304 20 30 CGEDLO Cc1ccc2[nH+]c(/C=C/c3ccc(C#N)cn3)cn2c1 ZINC000340590778 377162157 /nfs/dbraw/zinc/16/21/57/377162157.db2.gz VGJIPNIEJASAOH-AATRIKPKSA-N 1 2 260.300 3.080 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1C#N ZINC000565174591 377484878 /nfs/dbraw/zinc/48/48/78/377484878.db2.gz SHJMQUTXCNDRJV-CYBMUJFWSA-N 1 2 292.180 3.103 20 30 CGEDLO C=CCC(F)(F)c1nc(CCc2[nH+]cccc2C)no1 ZINC000565346121 377485622 /nfs/dbraw/zinc/48/56/22/377485622.db2.gz MFWJZDMRIJTVET-UHFFFAOYSA-N 1 2 279.290 3.226 20 30 CGEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000249871111 377537932 /nfs/dbraw/zinc/53/79/32/377537932.db2.gz JWINBRNQGGPUHY-IUODEOHRSA-N 1 2 287.407 3.112 20 30 CGEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000249871111 377537939 /nfs/dbraw/zinc/53/79/39/377537939.db2.gz JWINBRNQGGPUHY-IUODEOHRSA-N 1 2 287.407 3.112 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC2(CCC2)O1 ZINC000518370892 249280090 /nfs/dbraw/zinc/28/00/90/249280090.db2.gz ILACMJCXRSWKSN-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC2(CCC2)O1 ZINC000518370892 249280092 /nfs/dbraw/zinc/28/00/92/249280092.db2.gz ILACMJCXRSWKSN-LBPRGKRZSA-N 1 2 290.794 3.355 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000342231640 377636464 /nfs/dbraw/zinc/63/64/64/377636464.db2.gz MNHMBNDOWIDJJH-UHFFFAOYSA-N 1 2 290.798 3.319 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000342231640 377636471 /nfs/dbraw/zinc/63/64/71/377636471.db2.gz MNHMBNDOWIDJJH-UHFFFAOYSA-N 1 2 290.798 3.319 20 30 CGEDLO N#CCC[N@@H+](Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000342367023 377642316 /nfs/dbraw/zinc/64/23/16/377642316.db2.gz YCCVFNMPOSCVHS-UHFFFAOYSA-N 1 2 273.311 3.093 20 30 CGEDLO N#CCC[N@H+](Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000342367023 377642319 /nfs/dbraw/zinc/64/23/19/377642319.db2.gz YCCVFNMPOSCVHS-UHFFFAOYSA-N 1 2 273.311 3.093 20 30 CGEDLO CC(C)COc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000342748724 377773680 /nfs/dbraw/zinc/77/36/80/377773680.db2.gz XGYITAAGAHSHMO-CQSZACIVSA-N 1 2 260.381 3.455 20 30 CGEDLO CC(C)COc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000342748724 377773689 /nfs/dbraw/zinc/77/36/89/377773689.db2.gz XGYITAAGAHSHMO-CQSZACIVSA-N 1 2 260.381 3.455 20 30 CGEDLO CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OCC ZINC000263676109 377949618 /nfs/dbraw/zinc/94/96/18/377949618.db2.gz IKGNRBIPNHZRJE-CYBMUJFWSA-N 1 2 276.380 3.075 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OCC ZINC000263676109 377949621 /nfs/dbraw/zinc/94/96/21/377949621.db2.gz IKGNRBIPNHZRJE-CYBMUJFWSA-N 1 2 276.380 3.075 20 30 CGEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cccc[nH+]1 ZINC000343349137 377958620 /nfs/dbraw/zinc/95/86/20/377958620.db2.gz MOOXYFNULQODPU-UHFFFAOYSA-N 1 2 270.380 3.442 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000264452651 377987338 /nfs/dbraw/zinc/98/73/38/377987338.db2.gz IPHMDEIEHSUBEJ-UHFFFAOYSA-N 1 2 278.783 3.239 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1OC(F)F ZINC000343590084 378030380 /nfs/dbraw/zinc/03/03/80/378030380.db2.gz XJRLZXNFLRWYEA-SNVBAGLBSA-N 1 2 266.291 3.242 20 30 CGEDLO Cc1cc(C)c(C#N)c(NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000345187094 378217598 /nfs/dbraw/zinc/21/75/98/378217598.db2.gz BSXOBHMFDFZJMQ-UHFFFAOYSA-N 1 2 291.358 3.138 20 30 CGEDLO Cc1cc(SCCCn2cc[nH+]c2)ccc1C#N ZINC000579472146 378164557 /nfs/dbraw/zinc/16/45/57/378164557.db2.gz CXKGSFDMYKEGDE-UHFFFAOYSA-N 1 2 257.362 3.246 20 30 CGEDLO C[C@@]12C[N@@H+]([C@H](C#N)c3ccccc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508794 378402105 /nfs/dbraw/zinc/40/21/05/378402105.db2.gz BUGRQTSJZSGOEK-ILOCAZANSA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@@]12C[N@H+]([C@H](C#N)c3ccccc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595508794 378402112 /nfs/dbraw/zinc/40/21/12/378402112.db2.gz BUGRQTSJZSGOEK-ILOCAZANSA-N 1 2 264.372 3.395 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000271171412 378470749 /nfs/dbraw/zinc/47/07/49/378470749.db2.gz AGYOGAYWYZSDCQ-JQWWKUHOSA-N 1 2 277.364 3.167 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCO[C@H](C)C2)c1 ZINC000271352623 378490080 /nfs/dbraw/zinc/49/00/80/378490080.db2.gz LRQMUORHWUOFQV-GWMMYCTHSA-N 1 2 277.364 3.025 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000271353241 378490285 /nfs/dbraw/zinc/49/02/85/378490285.db2.gz WQIGCNINNXAGPQ-FVDGXZRGSA-N 1 2 277.364 3.023 20 30 CGEDLO N#Cc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346184520 378494641 /nfs/dbraw/zinc/49/46/41/378494641.db2.gz UOFYDBLJWPQDJE-UHFFFAOYSA-N 1 2 280.356 3.418 20 30 CGEDLO Cn1cc(C[N@H+](C)Cc2c(F)cccc2Cl)cc1C#N ZINC000276787842 378998113 /nfs/dbraw/zinc/99/81/13/378998113.db2.gz RWWGRSORHPRPKY-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO Cn1cc(C[N@@H+](C)Cc2c(F)cccc2Cl)cc1C#N ZINC000276787842 378998118 /nfs/dbraw/zinc/99/81/18/378998118.db2.gz RWWGRSORHPRPKY-UHFFFAOYSA-N 1 2 291.757 3.321 20 30 CGEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000277497682 379173715 /nfs/dbraw/zinc/17/37/15/379173715.db2.gz UYIUPPGDEZRXAB-AWEZNQCLSA-N 1 2 291.395 3.067 20 30 CGEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000277497682 379173722 /nfs/dbraw/zinc/17/37/22/379173722.db2.gz UYIUPPGDEZRXAB-AWEZNQCLSA-N 1 2 291.395 3.067 20 30 CGEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000372836323 379204058 /nfs/dbraw/zinc/20/40/58/379204058.db2.gz HWMVCEWYZBPJIM-AWEZNQCLSA-N 1 2 283.318 3.237 20 30 CGEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000372836323 379204067 /nfs/dbraw/zinc/20/40/67/379204067.db2.gz HWMVCEWYZBPJIM-AWEZNQCLSA-N 1 2 283.318 3.237 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OCc1ccncc1 ZINC000349820297 379402611 /nfs/dbraw/zinc/40/26/11/379402611.db2.gz VPXJKMLCGYIMOL-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCc1ccncc1 ZINC000349820297 379402619 /nfs/dbraw/zinc/40/26/19/379402619.db2.gz VPXJKMLCGYIMOL-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO C=C[C@](C)(O)CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000278984507 194241043 /nfs/dbraw/zinc/24/10/43/194241043.db2.gz YUBWEDVSTJOOEM-KRWDZBQOSA-N 1 2 299.374 3.096 20 30 CGEDLO C=CC[N@@H+](Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000350262069 379532888 /nfs/dbraw/zinc/53/28/88/379532888.db2.gz HFIRIAYWJUTJEZ-LLVKDONJSA-N 1 2 262.422 3.418 20 30 CGEDLO C=CC[N@H+](Cc1nc2c(s1)C[C@H](C)CC2)C1CC1 ZINC000350262069 379532893 /nfs/dbraw/zinc/53/28/93/379532893.db2.gz HFIRIAYWJUTJEZ-LLVKDONJSA-N 1 2 262.422 3.418 20 30 CGEDLO C=CC[N@@H+](CC(=O)N(CC)CCCC)Cc1cccs1 ZINC000352407847 379799016 /nfs/dbraw/zinc/79/90/16/379799016.db2.gz SGLFMDJWLPIEEC-UHFFFAOYSA-N 1 2 294.464 3.385 20 30 CGEDLO C=CC[N@H+](CC(=O)N(CC)CCCC)Cc1cccs1 ZINC000352407847 379799025 /nfs/dbraw/zinc/79/90/25/379799025.db2.gz SGLFMDJWLPIEEC-UHFFFAOYSA-N 1 2 294.464 3.385 20 30 CGEDLO Cc1ccc(C[C@@H](C)Nc2cc(C)[nH+]cc2C#N)s1 ZINC000399373443 379939707 /nfs/dbraw/zinc/93/97/07/379939707.db2.gz AOOPGTDRHBSCHK-LLVKDONJSA-N 1 2 271.389 3.097 20 30 CGEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)cc1 ZINC000352962832 380059033 /nfs/dbraw/zinc/05/90/33/380059033.db2.gz OCXQJTMCRKSTOF-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)cc1 ZINC000352962832 380059039 /nfs/dbraw/zinc/05/90/39/380059039.db2.gz OCXQJTMCRKSTOF-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO N#CCC[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC000411468905 380146237 /nfs/dbraw/zinc/14/62/37/380146237.db2.gz JWPWDUWHTVWMKW-SFHVURJKSA-N 1 2 280.371 3.448 20 30 CGEDLO C=C(C)COc1cc(C[NH2+][C@H](C)C(F)F)ccc1OC ZINC000641793885 380107807 /nfs/dbraw/zinc/10/78/07/380107807.db2.gz NORNDQAZUCOYMS-LLVKDONJSA-N 1 2 285.334 3.393 20 30 CGEDLO CC[C@H](C)[C@@H]([NH2+]CCC1(C#N)CCCCC1)C(=O)OC ZINC000411536272 380148254 /nfs/dbraw/zinc/14/82/54/380148254.db2.gz QSWNOZHWGPSBIP-UONOGXRCSA-N 1 2 280.412 3.028 20 30 CGEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414132708 380192317 /nfs/dbraw/zinc/19/23/17/380192317.db2.gz ZQLDAAZEWDAYNZ-AWEZNQCLSA-N 1 2 297.402 3.245 20 30 CGEDLO C=C(C)[C@H]([NH2+][C@H](C)c1nnc(C)[nH]1)c1ccc(F)c(F)c1 ZINC000411551632 380151973 /nfs/dbraw/zinc/15/19/73/380151973.db2.gz FEMZJFQWTQNKIJ-OTYXRUKQSA-N 1 2 292.333 3.359 20 30 CGEDLO CCn1nccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353945776 380247975 /nfs/dbraw/zinc/24/79/75/380247975.db2.gz CHQLMQXKAVUJBI-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1nccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353945776 380247982 /nfs/dbraw/zinc/24/79/82/380247982.db2.gz CHQLMQXKAVUJBI-MSOLQXFVSA-N 1 2 294.402 3.175 20 30 CGEDLO COc1cccc(C[N@H+](C)CC(C)(C)C#N)c1OC(F)F ZINC000354036330 380292430 /nfs/dbraw/zinc/29/24/30/380292430.db2.gz HEHNFTQQIGNFOY-UHFFFAOYSA-N 1 2 298.333 3.278 20 30 CGEDLO COc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1OC(F)F ZINC000354036330 380292437 /nfs/dbraw/zinc/29/24/37/380292437.db2.gz HEHNFTQQIGNFOY-UHFFFAOYSA-N 1 2 298.333 3.278 20 30 CGEDLO CC(C)C1(c2ccccc2)C[NH+](Cc2nc(C#N)cs2)C1 ZINC000414551418 380315038 /nfs/dbraw/zinc/31/50/38/380315038.db2.gz OUDFQJFHULCGNU-UHFFFAOYSA-N 1 2 297.427 3.424 20 30 CGEDLO C=CCCC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000354284126 380385383 /nfs/dbraw/zinc/38/53/83/380385383.db2.gz WAUYTSPZWNSMHF-UHFFFAOYSA-N 1 2 297.402 3.310 20 30 CGEDLO C=CCN(Cc1c[nH+]cn1CC)Cc1ccccc1F ZINC000417731470 380671714 /nfs/dbraw/zinc/67/17/14/380671714.db2.gz FROWMBIOPSWYCW-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO CC#CC[C@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000645407086 380673872 /nfs/dbraw/zinc/67/38/72/380673872.db2.gz LDTHJAAUVBEEBN-LLVKDONJSA-N 1 2 274.751 3.074 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000356049590 380789147 /nfs/dbraw/zinc/78/91/47/380789147.db2.gz DYFGGLLCENXKGI-UHFFFAOYSA-N 1 2 298.308 3.188 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000356049590 380789153 /nfs/dbraw/zinc/78/91/53/380789153.db2.gz DYFGGLLCENXKGI-UHFFFAOYSA-N 1 2 298.308 3.188 20 30 CGEDLO C=CCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC000646046997 380811638 /nfs/dbraw/zinc/81/16/38/380811638.db2.gz ALRKVAAQWGBWFG-UHFFFAOYSA-N 1 2 255.321 3.019 20 30 CGEDLO N#Cc1cc(Cl)ccc1NCc1ccn2cc[nH+]c2c1 ZINC000357425864 381154073 /nfs/dbraw/zinc/15/40/73/381154073.db2.gz SPHUOQXLBYMWQT-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000334804512 207106464 /nfs/dbraw/zinc/10/64/64/207106464.db2.gz CCGIVFLYYNMKNQ-QZTJIDSGSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000334804512 207106468 /nfs/dbraw/zinc/10/64/68/207106468.db2.gz CCGIVFLYYNMKNQ-QZTJIDSGSA-N 1 2 296.345 3.005 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N(C)[C@H](C)CC(C)C ZINC000362172225 381897213 /nfs/dbraw/zinc/89/72/13/381897213.db2.gz AZXLEOGTDRQGMH-MRXNPFEDSA-N 1 2 295.471 3.141 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N(C)[C@H](C)CC(C)C ZINC000362172225 381897216 /nfs/dbraw/zinc/89/72/16/381897216.db2.gz AZXLEOGTDRQGMH-MRXNPFEDSA-N 1 2 295.471 3.141 20 30 CGEDLO COc1cccc2c(NCC3(CC#N)CC3)cc[nH+]c12 ZINC000362364946 381956651 /nfs/dbraw/zinc/95/66/51/381956651.db2.gz LAORROUZGXYZSK-UHFFFAOYSA-N 1 2 267.332 3.349 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000350557477 219035881 /nfs/dbraw/zinc/03/58/81/219035881.db2.gz MPZFCSVALVFIKZ-HNNXBMFYSA-N 1 2 298.411 3.063 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)s1 ZINC000350557477 219035883 /nfs/dbraw/zinc/03/58/83/219035883.db2.gz MPZFCSVALVFIKZ-HNNXBMFYSA-N 1 2 298.411 3.063 20 30 CGEDLO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000329494774 542446707 /nfs/dbraw/zinc/44/67/07/542446707.db2.gz DFSGJEZOKDZILA-DZGCQCFKSA-N 1 2 293.411 3.071 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC2(SC)CC2)c1O ZINC000193256928 262219079 /nfs/dbraw/zinc/21/90/79/262219079.db2.gz WBDOAYGVKGIZAP-OQLLNIDSSA-N 1 2 265.378 3.105 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000366576969 533268867 /nfs/dbraw/zinc/26/88/67/533268867.db2.gz SHOFDSTVTBQFQK-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000366576969 533268872 /nfs/dbraw/zinc/26/88/72/533268872.db2.gz SHOFDSTVTBQFQK-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347763902 533600207 /nfs/dbraw/zinc/60/02/07/533600207.db2.gz ARMXVGJCRVHNOY-DLRQAJBASA-N 1 2 250.292 3.212 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000347763902 533600217 /nfs/dbraw/zinc/60/02/17/533600217.db2.gz ARMXVGJCRVHNOY-DLRQAJBASA-N 1 2 250.292 3.212 20 30 CGEDLO Cc1ccc(C(C)(C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000329447465 533621017 /nfs/dbraw/zinc/62/10/17/533621017.db2.gz CTHZMKUTVOAQQD-ZDUSSCGKSA-N 1 2 298.390 3.041 20 30 CGEDLO Cn1cc(C[N@H+](C)Cc2nc3ccccc3s2)cc1C#N ZINC000191190555 130199960 /nfs/dbraw/zinc/19/99/60/130199960.db2.gz DSJPWLWQJBNPAQ-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cn1cc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1C#N ZINC000191190555 130199961 /nfs/dbraw/zinc/19/99/61/130199961.db2.gz DSJPWLWQJBNPAQ-UHFFFAOYSA-N 1 2 296.399 3.138 20 30 CGEDLO Cc1ccc(C[N@H+](CCC#N)CC2CC2)cc1[N+](=O)[O-] ZINC000093091353 392234372 /nfs/dbraw/zinc/23/43/72/392234372.db2.gz DAWSMDSNBUBPLN-UHFFFAOYSA-N 1 2 273.336 3.029 20 30 CGEDLO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1[N+](=O)[O-] ZINC000093091353 392234378 /nfs/dbraw/zinc/23/43/78/392234378.db2.gz DAWSMDSNBUBPLN-UHFFFAOYSA-N 1 2 273.336 3.029 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000093090671 392234837 /nfs/dbraw/zinc/23/48/37/392234837.db2.gz LTTIQYYLEYVWQX-GFCCVEGCSA-N 1 2 258.365 3.134 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000093090671 392234841 /nfs/dbraw/zinc/23/48/41/392234841.db2.gz LTTIQYYLEYVWQX-GFCCVEGCSA-N 1 2 258.365 3.134 20 30 CGEDLO N#Cc1csc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000092729867 392232949 /nfs/dbraw/zinc/23/29/49/392232949.db2.gz PXHKZYMDQBAIHN-ZDUSSCGKSA-N 1 2 272.377 3.070 20 30 CGEDLO C=C(C)C[C@H](C)c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000289121540 392414829 /nfs/dbraw/zinc/41/48/29/392414829.db2.gz WYNZJGRNYTZCCJ-LBPRGKRZSA-N 1 2 282.347 3.378 20 30 CGEDLO C=CCOc1cccc(C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000289197762 392416665 /nfs/dbraw/zinc/41/66/65/392416665.db2.gz BFDCFTCUQHCTPX-CQSZACIVSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000289197762 392416674 /nfs/dbraw/zinc/41/66/74/392416674.db2.gz BFDCFTCUQHCTPX-CQSZACIVSA-N 1 2 297.345 3.107 20 30 CGEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1F ZINC000154949960 392538564 /nfs/dbraw/zinc/53/85/64/392538564.db2.gz SJVRDTCUJFOKIW-UHFFFAOYSA-N 1 2 287.382 3.364 20 30 CGEDLO C=CC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1F ZINC000154949960 392538567 /nfs/dbraw/zinc/53/85/67/392538567.db2.gz SJVRDTCUJFOKIW-UHFFFAOYSA-N 1 2 287.382 3.364 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c(Cl)c1 ZINC000335773934 392815579 /nfs/dbraw/zinc/81/55/79/392815579.db2.gz PCRWLEUMJZCAKB-OAHLLOKOSA-N 1 2 286.766 3.272 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c(Cl)c1 ZINC000335773934 392815587 /nfs/dbraw/zinc/81/55/87/392815587.db2.gz PCRWLEUMJZCAKB-OAHLLOKOSA-N 1 2 286.766 3.272 20 30 CGEDLO C=CCC[C@H](C)[NH2+]c1ccc(-n2nncc2C)cc1 ZINC000648059201 392893785 /nfs/dbraw/zinc/89/37/85/392893785.db2.gz BWZMBKANQIMRHD-LBPRGKRZSA-N 1 2 256.353 3.342 20 30 CGEDLO C=CCOCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000338924496 392936383 /nfs/dbraw/zinc/93/63/83/392936383.db2.gz JNIMXKJLOJZHST-LLVKDONJSA-N 1 2 255.308 3.160 20 30 CGEDLO C=CCOCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000338924496 392936391 /nfs/dbraw/zinc/93/63/91/392936391.db2.gz JNIMXKJLOJZHST-LLVKDONJSA-N 1 2 255.308 3.160 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](CC)O1 ZINC000404095115 392962077 /nfs/dbraw/zinc/96/20/77/392962077.db2.gz VUHHWWNSXZCZSM-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](CC)O1 ZINC000404095115 392962082 /nfs/dbraw/zinc/96/20/82/392962082.db2.gz VUHHWWNSXZCZSM-GASCZTMLSA-N 1 2 276.355 3.087 20 30 CGEDLO C=CCN(Cc1cccs1)Cc1[nH+]ccn1CC ZINC000195513997 392969677 /nfs/dbraw/zinc/96/96/77/392969677.db2.gz LXRUFYFIOIVYEU-UHFFFAOYSA-N 1 2 261.394 3.153 20 30 CGEDLO Cc1cc([C@H]2C[N@H+]([C@@H](C)CCC#N)CCO2)ccc1F ZINC000351322991 393181326 /nfs/dbraw/zinc/18/13/26/393181326.db2.gz DLHAMCSVVFUEQR-XJKSGUPXSA-N 1 2 276.355 3.200 20 30 CGEDLO Cc1cc([C@H]2C[N@@H+]([C@@H](C)CCC#N)CCO2)ccc1F ZINC000351322991 393181332 /nfs/dbraw/zinc/18/13/32/393181332.db2.gz DLHAMCSVVFUEQR-XJKSGUPXSA-N 1 2 276.355 3.200 20 30 CGEDLO CCc1nnc(NCc2cc(C)[nH+]c(C)c2)c(C#N)c1CC ZINC000420650115 393515663 /nfs/dbraw/zinc/51/56/63/393515663.db2.gz HGTGFABCELKJFN-UHFFFAOYSA-N 1 2 295.390 3.097 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000491633785 393697834 /nfs/dbraw/zinc/69/78/34/393697834.db2.gz SYFBVXVMQNEJLU-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000491633785 393697836 /nfs/dbraw/zinc/69/78/36/393697836.db2.gz SYFBVXVMQNEJLU-NSHDSACASA-N 1 2 274.751 3.449 20 30 CGEDLO CCC(CC)(C/[NH+]=C\c1cccc(O)c1O)SC ZINC000743043900 572635450 /nfs/dbraw/zinc/63/54/50/572635450.db2.gz BWCJVVUYYPNWKX-DHDCSXOGSA-N 1 2 267.394 3.439 20 30 CGEDLO C=CCCCN(C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667950527 542948537 /nfs/dbraw/zinc/94/85/37/542948537.db2.gz HGUKUCWTSWMJKB-UHFFFAOYSA-N 1 2 272.352 3.073 20 30 CGEDLO COCC#CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000677818997 543468062 /nfs/dbraw/zinc/46/80/62/543468062.db2.gz NRFBGKOBMORTMX-OAHLLOKOSA-N 1 2 284.359 3.005 20 30 CGEDLO COCC#CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000677818997 543468065 /nfs/dbraw/zinc/46/80/65/543468065.db2.gz NRFBGKOBMORTMX-OAHLLOKOSA-N 1 2 284.359 3.005 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccncc1Cl ZINC000088781565 165195761 /nfs/dbraw/zinc/19/57/61/165195761.db2.gz QJCOBCNBKPVEDP-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccncc1Cl ZINC000088781565 165195763 /nfs/dbraw/zinc/19/57/63/165195763.db2.gz QJCOBCNBKPVEDP-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO Cc1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1C ZINC000092108140 165282652 /nfs/dbraw/zinc/28/26/52/165282652.db2.gz FWAGSXODKBAWHR-UHFFFAOYSA-N 1 2 276.343 3.435 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)s1 ZINC000129034949 287323116 /nfs/dbraw/zinc/32/31/16/287323116.db2.gz BBHNYKQCLGHAGV-UHFFFAOYSA-N 1 2 286.404 3.221 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C)cc1Cl ZINC000078316590 177332810 /nfs/dbraw/zinc/33/28/10/177332810.db2.gz YRLPDOKLUCVOFR-UHFFFAOYSA-N 1 2 278.783 3.261 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000679217456 543600529 /nfs/dbraw/zinc/60/05/29/543600529.db2.gz AKPBGUAXZTXJMM-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000679217456 543600532 /nfs/dbraw/zinc/60/05/32/543600532.db2.gz AKPBGUAXZTXJMM-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000680424914 543709977 /nfs/dbraw/zinc/70/99/77/543709977.db2.gz IDHJZYNHKOIROP-QWHCGFSZSA-N 1 2 299.374 3.198 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000683033404 543891672 /nfs/dbraw/zinc/89/16/72/543891672.db2.gz DEXJFZHTVBYIIR-LBPRGKRZSA-N 1 2 270.351 3.467 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000683033404 543891674 /nfs/dbraw/zinc/89/16/74/543891674.db2.gz DEXJFZHTVBYIIR-LBPRGKRZSA-N 1 2 270.351 3.467 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000683097383 543894042 /nfs/dbraw/zinc/89/40/42/543894042.db2.gz HLVCLRLGGWGQPD-INIZCTEOSA-N 1 2 293.414 3.341 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000683097383 543894045 /nfs/dbraw/zinc/89/40/45/543894045.db2.gz HLVCLRLGGWGQPD-INIZCTEOSA-N 1 2 293.414 3.341 20 30 CGEDLO C=CCC[N@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000661645469 419282155 /nfs/dbraw/zinc/28/21/55/419282155.db2.gz RWYRKVQZPVRTJP-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO C=CCC[N@@H+]1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000661645469 419282157 /nfs/dbraw/zinc/28/21/57/419282157.db2.gz RWYRKVQZPVRTJP-CQSZACIVSA-N 1 2 296.208 3.399 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000356057863 228104164 /nfs/dbraw/zinc/10/41/64/228104164.db2.gz FUUQCSAVIZVHPU-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000356057863 228104165 /nfs/dbraw/zinc/10/41/65/228104165.db2.gz FUUQCSAVIZVHPU-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)s1 ZINC000353670815 228142587 /nfs/dbraw/zinc/14/25/87/228142587.db2.gz VEOUTRSDTXRAIW-JTQLQIEISA-N 1 2 291.807 3.202 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000352086442 228181440 /nfs/dbraw/zinc/18/14/40/228181440.db2.gz CESWTTSJKMOWFB-SNVBAGLBSA-N 1 2 277.418 3.463 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000352086442 228181441 /nfs/dbraw/zinc/18/14/41/228181441.db2.gz CESWTTSJKMOWFB-SNVBAGLBSA-N 1 2 277.418 3.463 20 30 CGEDLO N#CCCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000336160404 228201776 /nfs/dbraw/zinc/20/17/76/228201776.db2.gz NGDIZFXYAYPALL-UHFFFAOYSA-N 1 2 271.339 3.359 20 30 CGEDLO N#CCCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000336160404 228201777 /nfs/dbraw/zinc/20/17/77/228201777.db2.gz NGDIZFXYAYPALL-UHFFFAOYSA-N 1 2 271.339 3.359 20 30 CGEDLO C=CCCCC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000298246649 260148879 /nfs/dbraw/zinc/14/88/79/260148879.db2.gz DJWJJQZBRRXQKG-UHFFFAOYSA-N 1 2 297.402 3.423 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000070217385 260154751 /nfs/dbraw/zinc/15/47/51/260154751.db2.gz LEIDQCLGKKANJU-UHFFFAOYSA-N 1 2 285.210 3.246 20 30 CGEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000155289035 261100545 /nfs/dbraw/zinc/10/05/45/261100545.db2.gz MIRDZSKACOADGZ-QGZVFWFLSA-N 1 2 297.427 3.131 20 30 CGEDLO N#CCN(Cc1[nH+]ccn1Cc1ccccc1)C1CCCC1 ZINC000156754382 261131594 /nfs/dbraw/zinc/13/15/94/261131594.db2.gz KGYGNFFPVJBFDL-UHFFFAOYSA-N 1 2 294.402 3.200 20 30 CGEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccccc2)oc1C ZINC000490779168 261205971 /nfs/dbraw/zinc/20/59/71/261205971.db2.gz RWJHZSYWXOLXNV-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C#CC[N@H+](CC)Cc1nc(-c2ccccc2)oc1C ZINC000490779168 261205972 /nfs/dbraw/zinc/20/59/72/261205972.db2.gz RWJHZSYWXOLXNV-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc(-c2ccccc2)cs1 ZINC000361647535 261367631 /nfs/dbraw/zinc/36/76/31/261367631.db2.gz YVRZOPQSKYTYCP-UHFFFAOYSA-N 1 2 288.416 3.445 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc(-c2ccccc2)cs1 ZINC000361647535 261367633 /nfs/dbraw/zinc/36/76/33/261367633.db2.gz YVRZOPQSKYTYCP-UHFFFAOYSA-N 1 2 288.416 3.445 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC000364279979 262194548 /nfs/dbraw/zinc/19/45/48/262194548.db2.gz IFBZDAZEZIAMSJ-MSOLQXFVSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000364279979 262194550 /nfs/dbraw/zinc/19/45/50/262194550.db2.gz IFBZDAZEZIAMSJ-MSOLQXFVSA-N 1 2 295.361 3.492 20 30 CGEDLO CCCn1c2ccccc2nc1C[NH2+][C@@H](CC)CC#N ZINC000054183967 262259693 /nfs/dbraw/zinc/25/96/93/262259693.db2.gz BDOOKPKNEZJMBB-ZDUSSCGKSA-N 1 2 270.380 3.228 20 30 CGEDLO CC(C)C[C@@H](C[N@H+](C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270152 262341448 /nfs/dbraw/zinc/34/14/48/262341448.db2.gz BIRSTVCXJUZTKO-KGLIPLIRSA-N 1 2 297.443 3.160 20 30 CGEDLO CC(C)C[C@@H](C[N@@H+](C)[C@H](C)CC#N)NC(=O)OC(C)(C)C ZINC000496270152 262341449 /nfs/dbraw/zinc/34/14/49/262341449.db2.gz BIRSTVCXJUZTKO-KGLIPLIRSA-N 1 2 297.443 3.160 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000339751637 262664081 /nfs/dbraw/zinc/66/40/81/262664081.db2.gz HDZZGHBQVPDVNM-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000339751637 262664082 /nfs/dbraw/zinc/66/40/82/262664082.db2.gz HDZZGHBQVPDVNM-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272218938 263002771 /nfs/dbraw/zinc/00/27/71/263002771.db2.gz BPYPVJWSLVBQDC-CYBMUJFWSA-N 1 2 288.391 3.233 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272218938 263002772 /nfs/dbraw/zinc/00/27/72/263002772.db2.gz BPYPVJWSLVBQDC-CYBMUJFWSA-N 1 2 288.391 3.233 20 30 CGEDLO Cc1cc(C(=O)C[NH+]2CCC(C)(C#N)CC2)c(C)n1C1CC1 ZINC000272534152 263005991 /nfs/dbraw/zinc/00/59/91/263005991.db2.gz IWDSGTMZUWZLPR-UHFFFAOYSA-N 1 2 299.418 3.248 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000276292449 263035700 /nfs/dbraw/zinc/03/57/00/263035700.db2.gz IDRFIVUGHJJIIO-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000276292449 263035701 /nfs/dbraw/zinc/03/57/01/263035701.db2.gz IDRFIVUGHJJIIO-IUODEOHRSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](/[NH+]=C/c1c(O)ccc2ccccc21)[C@H]1CCOC1 ZINC000280967399 263065329 /nfs/dbraw/zinc/06/53/29/263065329.db2.gz IWLDKTVCPQLFGA-DFGDDMDISA-N 1 2 269.344 3.389 20 30 CGEDLO N#CC1CCC(CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000281728989 263071435 /nfs/dbraw/zinc/07/14/35/263071435.db2.gz WCMYNTXDSBYGKK-UHFFFAOYSA-N 1 2 299.422 3.209 20 30 CGEDLO N#CC1CCC(CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000281728989 263071436 /nfs/dbraw/zinc/07/14/36/263071436.db2.gz WCMYNTXDSBYGKK-UHFFFAOYSA-N 1 2 299.422 3.209 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000292891451 263136114 /nfs/dbraw/zinc/13/61/14/263136114.db2.gz YYLZTQKYCUZKMT-UHFFFAOYSA-N 1 2 284.338 3.117 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000292891451 263136115 /nfs/dbraw/zinc/13/61/15/263136115.db2.gz YYLZTQKYCUZKMT-UHFFFAOYSA-N 1 2 284.338 3.117 20 30 CGEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000299206527 263235111 /nfs/dbraw/zinc/23/51/11/263235111.db2.gz GHVUIMZCZPAOES-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000299206527 263235113 /nfs/dbraw/zinc/23/51/13/263235113.db2.gz GHVUIMZCZPAOES-DOMZBBRYSA-N 1 2 278.783 3.406 20 30 CGEDLO CCCCc1noc([C@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000330780753 264035727 /nfs/dbraw/zinc/03/57/27/264035727.db2.gz NXHNNSKNCAHWPA-LBPRGKRZSA-N 1 2 276.384 3.099 20 30 CGEDLO CC[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)C1CCOCC1 ZINC000331339699 264194553 /nfs/dbraw/zinc/19/45/53/264194553.db2.gz MNBOPHDTUBANLM-AWEZNQCLSA-N 1 2 291.395 3.230 20 30 CGEDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccon2)c(C)[nH+]1 ZINC000331341273 264195375 /nfs/dbraw/zinc/19/53/75/264195375.db2.gz SNWHGGSXBSRPPP-SNVBAGLBSA-N 1 2 274.324 3.082 20 30 CGEDLO N#CC1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000334514767 264655559 /nfs/dbraw/zinc/65/55/59/264655559.db2.gz OUTGVUREJQIUBI-UHFFFAOYSA-N 1 2 255.296 3.114 20 30 CGEDLO C=CCCCCCC[NH2+][C@H](c1nnc[nH]1)c1cccnc1 ZINC000294276790 265009063 /nfs/dbraw/zinc/00/90/63/265009063.db2.gz MCZISUTVYDAWLI-HNNXBMFYSA-N 1 2 285.395 3.015 20 30 CGEDLO N#Cc1ccc(C(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000195167335 270083877 /nfs/dbraw/zinc/08/38/77/270083877.db2.gz BGIXMJMHTUXRSP-UHFFFAOYSA-N 1 2 293.351 3.181 20 30 CGEDLO Cc1cc(N(C)Cc2ccccc2C)c(C#N)c[nH+]1 ZINC000399476684 267333131 /nfs/dbraw/zinc/33/31/31/267333131.db2.gz WBGLHVUMHKDPNZ-UHFFFAOYSA-N 1 2 251.333 3.207 20 30 CGEDLO Cc1[nH+]c2cc(NC(=O)c3cc(C#N)cs3)ccc2n1C ZINC000531456019 268079481 /nfs/dbraw/zinc/07/94/81/268079481.db2.gz LVKPGCIKFFFUOK-UHFFFAOYSA-N 1 2 296.355 3.067 20 30 CGEDLO Cc1ccc(NC(=O)/C=C\c2cccc(C#N)c2)c(C)[nH+]1 ZINC000255044857 287855483 /nfs/dbraw/zinc/85/54/83/287855483.db2.gz JTCWZXCMJKFTJM-CLFYSBASSA-N 1 2 277.327 3.222 20 30 CGEDLO CSCC1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000399497547 288051969 /nfs/dbraw/zinc/05/19/69/288051969.db2.gz INNYPQOTFSZRIR-UHFFFAOYSA-N 1 2 275.421 3.017 20 30 CGEDLO COc1cc(C)[nH+]c(COc2ccc(C#N)cc2C)c1 ZINC000536703318 288499058 /nfs/dbraw/zinc/49/90/58/288499058.db2.gz UFTBRLIPCRKZNX-UHFFFAOYSA-N 1 2 268.316 3.158 20 30 CGEDLO C=C(C)CC[NH2+]c1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000570882440 327630659 /nfs/dbraw/zinc/63/06/59/327630659.db2.gz CKSTXIRIMVVWLF-UHFFFAOYSA-N 1 2 285.395 3.472 20 30 CGEDLO CC#CC[N@@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000339750833 328053621 /nfs/dbraw/zinc/05/36/21/328053621.db2.gz HBWGYUGFJOGUOX-UHFFFAOYSA-N 1 2 289.404 3.124 20 30 CGEDLO CC#CC[N@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000339750833 328053622 /nfs/dbraw/zinc/05/36/22/328053622.db2.gz HBWGYUGFJOGUOX-UHFFFAOYSA-N 1 2 289.404 3.124 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000563366085 328059558 /nfs/dbraw/zinc/05/95/58/328059558.db2.gz OXAPAHKFYNXPEP-AAEUAGOBSA-N 1 2 293.798 3.257 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000571357931 328115709 /nfs/dbraw/zinc/11/57/09/328115709.db2.gz YZULHAOYYGNJGW-UHFFFAOYSA-N 1 2 268.316 3.465 20 30 CGEDLO CC(C)(O)COc1ccc([NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000274207695 328209649 /nfs/dbraw/zinc/20/96/49/328209649.db2.gz MPVFIRIIFSOVMK-UKRRQHHQSA-N 1 2 288.391 3.331 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CC2CCC(C#N)CC2)c1 ZINC000281872308 328241377 /nfs/dbraw/zinc/24/13/77/328241377.db2.gz WKHKHAVQPPHBLU-WOJGMQOQSA-N 1 2 272.348 3.150 20 30 CGEDLO N#Cc1c(F)cccc1SCCCn1cc[nH+]c1 ZINC000568468341 322210409 /nfs/dbraw/zinc/21/04/09/322210409.db2.gz UDPAUHGBCCZTCZ-UHFFFAOYSA-N 1 2 261.325 3.076 20 30 CGEDLO C=CC(C)(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000294341344 328548871 /nfs/dbraw/zinc/54/88/71/328548871.db2.gz FKTJDJKDXIABET-UHFFFAOYSA-N 1 2 285.391 3.063 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000531109194 327250063 /nfs/dbraw/zinc/25/00/63/327250063.db2.gz BTBODIGFQNKDNW-UHFFFAOYSA-N 1 2 278.783 3.239 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CCCCC1 ZINC000561113992 327367107 /nfs/dbraw/zinc/36/71/07/327367107.db2.gz RTUVCLAAFRWQSY-UHFFFAOYSA-N 1 2 294.358 3.489 20 30 CGEDLO C=C1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000519444167 328673539 /nfs/dbraw/zinc/67/35/39/328673539.db2.gz OXQMJVQHHRBGFD-SFHVURJKSA-N 1 2 286.419 3.152 20 30 CGEDLO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1ccccc1F ZINC000193792594 329063066 /nfs/dbraw/zinc/06/30/66/329063066.db2.gz MQAHNUAODRJARX-UHFFFAOYSA-N 1 2 271.339 3.311 20 30 CGEDLO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1ccccc1F ZINC000193792594 329063067 /nfs/dbraw/zinc/06/30/67/329063067.db2.gz MQAHNUAODRJARX-UHFFFAOYSA-N 1 2 271.339 3.311 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000181283734 329229518 /nfs/dbraw/zinc/22/95/18/329229518.db2.gz AWKFPNWQDHXUAW-UHFFFAOYSA-N 1 2 287.363 3.143 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000181283734 329229519 /nfs/dbraw/zinc/22/95/19/329229519.db2.gz AWKFPNWQDHXUAW-UHFFFAOYSA-N 1 2 287.363 3.143 20 30 CGEDLO CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C[C@@H](C)C#N ZINC000183576086 329248611 /nfs/dbraw/zinc/24/86/11/329248611.db2.gz BUKPUKZBKZMETI-QMMMGPOBSA-N 1 2 291.342 3.452 20 30 CGEDLO CC[N@H+](Cc1sc(C)nc1C(F)(F)F)C[C@@H](C)C#N ZINC000183576086 329248612 /nfs/dbraw/zinc/24/86/12/329248612.db2.gz BUKPUKZBKZMETI-QMMMGPOBSA-N 1 2 291.342 3.452 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000583120085 329319713 /nfs/dbraw/zinc/31/97/13/329319713.db2.gz NQVRNLYWSPPPOP-LBPRGKRZSA-N 1 2 271.339 3.236 20 30 CGEDLO C=CCC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC000583247211 329395897 /nfs/dbraw/zinc/39/58/97/329395897.db2.gz PEVLXGLFIWMBPX-CYBMUJFWSA-N 1 2 287.407 3.225 20 30 CGEDLO C=CCC1(NC(=O)[C@@H]2CCCc3[nH]c[nH+]c32)CCCCC1 ZINC000583247211 329395899 /nfs/dbraw/zinc/39/58/99/329395899.db2.gz PEVLXGLFIWMBPX-CYBMUJFWSA-N 1 2 287.407 3.225 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000527116367 330223363 /nfs/dbraw/zinc/22/33/63/330223363.db2.gz QYRAMLQBVBLKIA-LLVKDONJSA-N 1 2 286.404 3.262 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000527116367 330223365 /nfs/dbraw/zinc/22/33/65/330223365.db2.gz QYRAMLQBVBLKIA-LLVKDONJSA-N 1 2 286.404 3.262 20 30 CGEDLO C=CCC1(NC(=O)Cc2cn3ccccc3[nH+]2)CCCCC1 ZINC000456377562 331191714 /nfs/dbraw/zinc/19/17/14/331191714.db2.gz GOCRWURTDUWWQQ-UHFFFAOYSA-N 1 2 297.402 3.272 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc([C@H](C)OCC(C)C)no1 ZINC000489446950 332053270 /nfs/dbraw/zinc/05/32/70/332053270.db2.gz HHDVLHRATMOWNB-KBPBESRZSA-N 1 2 293.411 3.344 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc([C@H](C)OCC(C)C)no1 ZINC000489446950 332053272 /nfs/dbraw/zinc/05/32/72/332053272.db2.gz HHDVLHRATMOWNB-KBPBESRZSA-N 1 2 293.411 3.344 20 30 CGEDLO C#CC[N@@H+](CC)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000490780238 332115279 /nfs/dbraw/zinc/11/52/79/332115279.db2.gz HLVPTRUAJCBWCB-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO C#CC[N@H+](CC)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000490780238 332115280 /nfs/dbraw/zinc/11/52/80/332115280.db2.gz HLVPTRUAJCBWCB-CYBMUJFWSA-N 1 2 269.348 3.061 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000491393430 332203210 /nfs/dbraw/zinc/20/32/10/332203210.db2.gz HOVXUMQINJAGNE-WBVHZDCISA-N 1 2 296.414 3.041 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1 ZINC000491393430 332203211 /nfs/dbraw/zinc/20/32/11/332203211.db2.gz HOVXUMQINJAGNE-WBVHZDCISA-N 1 2 296.414 3.041 20 30 CGEDLO COC(=O)Nc1ccc(CC[NH+]=Cc2ccccc2O)cc1 ZINC000491405075 332205714 /nfs/dbraw/zinc/20/57/14/332205714.db2.gz KQECCPSMSYIGFT-PDGQHHTCSA-N 1 2 298.342 3.232 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccc(F)cc1 ZINC000491496748 332223209 /nfs/dbraw/zinc/22/32/09/332223209.db2.gz SRICAOGPWXMXOY-HNNXBMFYSA-N 1 2 295.317 3.273 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnc(C)s1)c1ccc(F)cc1 ZINC000491523298 332228949 /nfs/dbraw/zinc/22/89/49/332228949.db2.gz CYOMTSPBEWHVFG-AWEZNQCLSA-N 1 2 260.337 3.055 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(F)cc1 ZINC000491681698 332284818 /nfs/dbraw/zinc/28/48/18/332284818.db2.gz NYNJESPYAVTTBE-QGZVFWFLSA-N 1 2 280.346 3.174 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000491709726 332301871 /nfs/dbraw/zinc/30/18/71/332301871.db2.gz XALLEBTXFATJHZ-CYBMUJFWSA-N 1 2 284.359 3.194 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000491709726 332301872 /nfs/dbraw/zinc/30/18/72/332301872.db2.gz XALLEBTXFATJHZ-CYBMUJFWSA-N 1 2 284.359 3.194 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000491716802 332306490 /nfs/dbraw/zinc/30/64/90/332306490.db2.gz UTPGPSXSMXZIGB-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000491716802 332306492 /nfs/dbraw/zinc/30/64/92/332306492.db2.gz UTPGPSXSMXZIGB-LLVKDONJSA-N 1 2 274.751 3.449 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2cccs2)n1)C1CC1 ZINC000491774249 332340337 /nfs/dbraw/zinc/34/03/37/332340337.db2.gz TXAKJPJUUJHGLY-UHFFFAOYSA-N 1 2 274.414 3.469 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2cccs2)n1)C1CC1 ZINC000491774249 332340339 /nfs/dbraw/zinc/34/03/39/332340339.db2.gz TXAKJPJUUJHGLY-UHFFFAOYSA-N 1 2 274.414 3.469 20 30 CGEDLO C#CC[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000192224403 333232631 /nfs/dbraw/zinc/23/26/31/333232631.db2.gz AKMRFLNDWPADQC-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C#CC[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000192224403 333232633 /nfs/dbraw/zinc/23/26/33/333232633.db2.gz AKMRFLNDWPADQC-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C#CC[N@@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000192224583 333232641 /nfs/dbraw/zinc/23/26/41/333232641.db2.gz QCWWBIUZNJQBSS-UHFFFAOYSA-N 1 2 260.337 3.014 20 30 CGEDLO C#CC[N@H+](C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000192224583 333232642 /nfs/dbraw/zinc/23/26/42/333232642.db2.gz QCWWBIUZNJQBSS-UHFFFAOYSA-N 1 2 260.337 3.014 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)o1 ZINC000174267053 335151724 /nfs/dbraw/zinc/15/17/24/335151724.db2.gz IWNHYXAPJHSHNS-UHFFFAOYSA-N 1 2 297.358 3.157 20 30 CGEDLO C=CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000134716522 334101620 /nfs/dbraw/zinc/10/16/20/334101620.db2.gz FGGLASLAVYCGRC-GFCCVEGCSA-N 1 2 279.347 3.192 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000134918406 334108378 /nfs/dbraw/zinc/10/83/78/334108378.db2.gz VXJISLJHYIEQBP-GOSISDBHSA-N 1 2 297.402 3.150 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(=O)OC(C)C)cc1)C[C@@H](C)C#N ZINC000135017407 334112424 /nfs/dbraw/zinc/11/24/24/334112424.db2.gz MUETZJQOQCZBOG-AWEZNQCLSA-N 1 2 288.391 3.233 20 30 CGEDLO CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)C[C@@H](C)C#N ZINC000135017407 334112425 /nfs/dbraw/zinc/11/24/25/334112425.db2.gz MUETZJQOQCZBOG-AWEZNQCLSA-N 1 2 288.391 3.233 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1noc(Cc2ccccc2)n1 ZINC000549547871 334197584 /nfs/dbraw/zinc/19/75/84/334197584.db2.gz PATLTKAPAVJQNG-CFVMTHIKSA-N 1 2 296.374 3.003 20 30 CGEDLO C=C(C)C[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551407026 334249603 /nfs/dbraw/zinc/24/96/03/334249603.db2.gz RYKLPHAAVILESX-CQSZACIVSA-N 1 2 255.283 3.411 20 30 CGEDLO C=C(C)C[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551407026 334249604 /nfs/dbraw/zinc/24/96/04/334249604.db2.gz RYKLPHAAVILESX-CQSZACIVSA-N 1 2 255.283 3.411 20 30 CGEDLO C=CC[C@@H](CO)[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000556259774 334504611 /nfs/dbraw/zinc/50/46/11/334504611.db2.gz IPHUZIWYRYDDRQ-DZGCQCFKSA-N 1 2 299.361 3.307 20 30 CGEDLO CCC(CC)CN(CCC#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568021357 334785203 /nfs/dbraw/zinc/78/52/03/334785203.db2.gz RSCYOQRKCKZKKL-CQSZACIVSA-N 1 2 290.411 3.013 20 30 CGEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1[N+](=O)[O-] ZINC000428327547 533927293 /nfs/dbraw/zinc/92/72/93/533927293.db2.gz UGJHAZXUJGLSSZ-NSHDSACASA-N 1 2 299.305 3.456 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccn(C(F)F)n1 ZINC000425364745 534081545 /nfs/dbraw/zinc/08/15/45/534081545.db2.gz HMDZQHGINYQRHX-NSHDSACASA-N 1 2 290.317 3.343 20 30 CGEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C(F)F)n1 ZINC000425364745 534081548 /nfs/dbraw/zinc/08/15/48/534081548.db2.gz HMDZQHGINYQRHX-NSHDSACASA-N 1 2 290.317 3.343 20 30 CGEDLO C#CCOc1ccccc1NCc1[nH+]ccn1C(C)C ZINC000184617563 518336917 /nfs/dbraw/zinc/33/69/17/518336917.db2.gz LVKJOCHFMMUDKM-UHFFFAOYSA-N 1 2 269.348 3.088 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000190659553 534612331 /nfs/dbraw/zinc/61/23/31/534612331.db2.gz OLFQOIGQZMKMAV-KRWDZBQOSA-N 1 2 289.423 3.146 20 30 CGEDLO N#C[C@H]1CCC[C@@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000333274656 534748526 /nfs/dbraw/zinc/74/85/26/534748526.db2.gz IIUJYLHIJOKADP-UONOGXRCSA-N 1 2 270.380 3.176 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000353669771 526875728 /nfs/dbraw/zinc/87/57/28/526875728.db2.gz FCPSTTYPTNWFQY-OKILXGFUSA-N 1 2 293.794 3.268 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000353669771 526875730 /nfs/dbraw/zinc/87/57/30/526875730.db2.gz FCPSTTYPTNWFQY-OKILXGFUSA-N 1 2 293.794 3.268 20 30 CGEDLO C=C1CC[NH+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000336617398 526906763 /nfs/dbraw/zinc/90/67/63/526906763.db2.gz SWPAPTLCUALWSJ-UHFFFAOYSA-N 1 2 269.348 3.197 20 30 CGEDLO CC(C)Cc1noc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425535946 528680053 /nfs/dbraw/zinc/68/00/53/528680053.db2.gz HZQUEPQPIJKQLF-ZDUSSCGKSA-N 1 2 298.390 3.333 20 30 CGEDLO CC(C)Cc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425535946 528680054 /nfs/dbraw/zinc/68/00/54/528680054.db2.gz HZQUEPQPIJKQLF-ZDUSSCGKSA-N 1 2 298.390 3.333 20 30 CGEDLO O=C(/C=C\c1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000728694870 571815126 /nfs/dbraw/zinc/81/51/26/571815126.db2.gz LMEYTUAEDAKJAF-SREVYHEPSA-N 1 2 280.249 3.342 20 30 CGEDLO CCOc1ccc(/C=[NH+]\[C@@H]2CC[C@H](SC)C2)c(O)c1 ZINC000743043547 572636177 /nfs/dbraw/zinc/63/61/77/572636177.db2.gz WNZIBZWYGBKRGA-UZQLYTGQSA-N 1 2 279.405 3.494 20 30 CGEDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1cccc(C#N)c1 ZINC000743497404 572666610 /nfs/dbraw/zinc/66/66/10/572666610.db2.gz YKJKNNBFSDFXGJ-NSHDSACASA-N 1 2 297.314 3.023 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CC2Cc3ccccc3C2)c1 ZINC000735229226 572707057 /nfs/dbraw/zinc/70/70/57/572707057.db2.gz WBZNTZJAMDZZSK-UNOMPAQXSA-N 1 2 281.355 3.235 20 30 CGEDLO CCOc1ccc(/C=[NH+]/C[C@H](O)CC(C)(C)C)c(O)c1 ZINC000735228853 572707305 /nfs/dbraw/zinc/70/73/05/572707305.db2.gz JGKHRONSACVVJP-VGSSETLESA-N 1 2 279.380 3.007 20 30 CGEDLO C=C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309838 572714456 /nfs/dbraw/zinc/71/44/56/572714456.db2.gz VCVKIKYPTZRKJW-UHFFFAOYSA-N 1 2 276.767 3.394 20 30 CGEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OC ZINC000746159470 572858057 /nfs/dbraw/zinc/85/80/57/572858057.db2.gz SEHUECMXEWQKKI-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC ZINC000746159470 572858061 /nfs/dbraw/zinc/85/80/61/572858061.db2.gz SEHUECMXEWQKKI-UHFFFAOYSA-N 1 2 283.346 3.470 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCc2c[nH]c3cc(F)ccc23)c1O ZINC000747614452 572936790 /nfs/dbraw/zinc/93/67/90/572936790.db2.gz KQANLUPQKTUYSW-OCKHKDLRSA-N 1 2 298.317 3.380 20 30 CGEDLO Oc1ccccc1/C=[NH+]\C[C@H]1COc2ccccc2C1 ZINC000747713397 572942808 /nfs/dbraw/zinc/94/28/08/572942808.db2.gz VLGOBHSQGQGZEJ-FHNWIRHTSA-N 1 2 267.328 3.062 20 30 CGEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccccn2)cc1 ZINC000748076905 572959584 /nfs/dbraw/zinc/95/95/84/572959584.db2.gz XTRVBBGESJMZKX-UHFFFAOYSA-N 1 2 268.364 3.374 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000749113507 572989420 /nfs/dbraw/zinc/98/94/20/572989420.db2.gz HYIMGBLMWURSRF-LBPRGKRZSA-N 1 2 252.155 3.342 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000749113507 572989421 /nfs/dbraw/zinc/98/94/21/572989421.db2.gz HYIMGBLMWURSRF-LBPRGKRZSA-N 1 2 252.155 3.342 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000749154909 572989978 /nfs/dbraw/zinc/98/99/78/572989978.db2.gz ILMHPBCZTIUMDT-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C#CC[N@H+](CC)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000749154909 572989979 /nfs/dbraw/zinc/98/99/79/572989979.db2.gz ILMHPBCZTIUMDT-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000950089806 613294583 /nfs/dbraw/zinc/29/45/83/613294583.db2.gz NOZMQKVCOJFYFZ-OAHLLOKOSA-N 1 2 290.451 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974949819 613379509 /nfs/dbraw/zinc/37/95/09/613379509.db2.gz QOCBOXDMYPAALV-CYBMUJFWSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974949819 613379510 /nfs/dbraw/zinc/37/95/10/613379510.db2.gz QOCBOXDMYPAALV-CYBMUJFWSA-N 1 2 298.858 3.002 20 30 CGEDLO CC[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](C)C#N ZINC000120507420 617714943 /nfs/dbraw/zinc/71/49/43/617714943.db2.gz OOASHVHIKIXRNH-JTQLQIEISA-N 1 2 252.745 3.027 20 30 CGEDLO CC[N@H+](Cc1c(O)cccc1Cl)C[C@@H](C)C#N ZINC000120507420 617714948 /nfs/dbraw/zinc/71/49/48/617714948.db2.gz OOASHVHIKIXRNH-JTQLQIEISA-N 1 2 252.745 3.027 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891715233 618254983 /nfs/dbraw/zinc/25/49/83/618254983.db2.gz BENIQZBCLMDYJN-AWEZNQCLSA-N 1 2 281.359 3.465 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC000891715233 618254986 /nfs/dbraw/zinc/25/49/86/618254986.db2.gz BENIQZBCLMDYJN-AWEZNQCLSA-N 1 2 281.359 3.465 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000934467939 618625872 /nfs/dbraw/zinc/62/58/72/618625872.db2.gz WDNODTRLYGNDSV-LLVKDONJSA-N 1 2 289.766 3.139 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000934467939 618625873 /nfs/dbraw/zinc/62/58/73/618625873.db2.gz WDNODTRLYGNDSV-LLVKDONJSA-N 1 2 289.766 3.139 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1O ZINC000926838789 618924995 /nfs/dbraw/zinc/92/49/95/618924995.db2.gz UVGDKHZDPMRGCZ-SWLSCSKDSA-N 1 2 256.349 3.271 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000931062861 619108204 /nfs/dbraw/zinc/10/82/04/619108204.db2.gz MRSYQQSPISZMJD-MRXNPFEDSA-N 1 2 267.332 3.077 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000931062861 619108205 /nfs/dbraw/zinc/10/82/05/619108205.db2.gz MRSYQQSPISZMJD-MRXNPFEDSA-N 1 2 267.332 3.077 20 30 CGEDLO C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCC[C@H]1C#N ZINC000931477570 619181963 /nfs/dbraw/zinc/18/19/63/619181963.db2.gz YQQIBVWHKJOBHR-ZFWWWQNUSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCC[C@H]1C#N ZINC000931477570 619181964 /nfs/dbraw/zinc/18/19/64/619181964.db2.gz YQQIBVWHKJOBHR-ZFWWWQNUSA-N 1 2 273.767 3.336 20 30 CGEDLO Cc1cc(C)c(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)c[nH+]1 ZINC000909391783 619213358 /nfs/dbraw/zinc/21/33/58/619213358.db2.gz WZOFJNRCOLTKTN-JFUPDXTOSA-N 1 2 297.402 3.035 20 30 CGEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000893973931 619342915 /nfs/dbraw/zinc/34/29/15/619342915.db2.gz ZVUDNMYUSBBGIV-QWRGUYRKSA-N 1 2 278.400 3.346 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000894611309 619588088 /nfs/dbraw/zinc/58/80/88/619588088.db2.gz WMEUKIJUNPIULC-UHFFFAOYSA-N 1 2 262.401 3.062 20 30 CGEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000894611309 619588094 /nfs/dbraw/zinc/58/80/94/619588094.db2.gz WMEUKIJUNPIULC-UHFFFAOYSA-N 1 2 262.401 3.062 20 30 CGEDLO C[N@H+](Cc1ccccc1OCC(F)F)CC(C)(C)C#N ZINC000894857357 619655536 /nfs/dbraw/zinc/65/55/36/619655536.db2.gz FZUMTJCBMNPLJU-UHFFFAOYSA-N 1 2 282.334 3.312 20 30 CGEDLO C[N@@H+](Cc1ccccc1OCC(F)F)CC(C)(C)C#N ZINC000894857357 619655539 /nfs/dbraw/zinc/65/55/39/619655539.db2.gz FZUMTJCBMNPLJU-UHFFFAOYSA-N 1 2 282.334 3.312 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@H](CC)O1 ZINC000894973555 619689625 /nfs/dbraw/zinc/68/96/25/619689625.db2.gz UMVUVCNLEZHNKV-BETUJISGSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@H](CC)O1 ZINC000894973555 619689628 /nfs/dbraw/zinc/68/96/28/619689628.db2.gz UMVUVCNLEZHNKV-BETUJISGSA-N 1 2 264.394 3.009 20 30 CGEDLO COc1nccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1F ZINC000895017437 619696389 /nfs/dbraw/zinc/69/63/89/619696389.db2.gz FJINHCOSFWCIGB-GFCCVEGCSA-N 1 2 299.349 3.294 20 30 CGEDLO COc1nccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1F ZINC000895017437 619696390 /nfs/dbraw/zinc/69/63/90/619696390.db2.gz FJINHCOSFWCIGB-GFCCVEGCSA-N 1 2 299.349 3.294 20 30 CGEDLO COc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1F ZINC000178943973 619705349 /nfs/dbraw/zinc/70/53/49/619705349.db2.gz MXJRVOOQWNJLJZ-VOTSOKGWSA-N 1 2 296.301 3.378 20 30 CGEDLO N#Cc1cc(F)ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895351475 619810041 /nfs/dbraw/zinc/81/00/41/619810041.db2.gz HJGQXGYABWXCHM-UHFFFAOYSA-N 1 2 296.349 3.173 20 30 CGEDLO COCc1ccccc1/C=C(/C)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896501471 620017846 /nfs/dbraw/zinc/01/78/46/620017846.db2.gz AKMADJUKAZWGBV-IZNAZMGOSA-N 1 2 284.403 3.472 20 30 CGEDLO COCc1ccccc1/C=C(/C)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896501471 620017849 /nfs/dbraw/zinc/01/78/49/620017849.db2.gz AKMADJUKAZWGBV-IZNAZMGOSA-N 1 2 284.403 3.472 20 30 CGEDLO C#CC[N@H+](Cc1ccnc(Cl)c1Cl)C(C)C ZINC000897171301 620155262 /nfs/dbraw/zinc/15/52/62/620155262.db2.gz VHZNRCCYLOJXOV-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CC[N@@H+](Cc1ccnc(Cl)c1Cl)C(C)C ZINC000897171301 620155263 /nfs/dbraw/zinc/15/52/63/620155263.db2.gz VHZNRCCYLOJXOV-UHFFFAOYSA-N 1 2 257.164 3.232 20 30 CGEDLO C#CCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000897351230 620222840 /nfs/dbraw/zinc/22/28/40/620222840.db2.gz XTRAPOFQRUCWIJ-UHFFFAOYSA-N 1 2 267.731 3.220 20 30 CGEDLO CCCCOC(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340270 620244560 /nfs/dbraw/zinc/24/45/60/620244560.db2.gz DGCUPZUQHLMUQR-CQSZACIVSA-N 1 2 288.391 3.284 20 30 CGEDLO CCCCOC(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340270 620244562 /nfs/dbraw/zinc/24/45/62/620244562.db2.gz DGCUPZUQHLMUQR-CQSZACIVSA-N 1 2 288.391 3.284 20 30 CGEDLO CC(C)CCn1cccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632086 620414110 /nfs/dbraw/zinc/41/41/10/620414110.db2.gz FXWVQKZGIDZASN-UHFFFAOYSA-N 1 2 288.420 3.152 20 30 CGEDLO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cnn(C)c1 ZINC000927068158 620570099 /nfs/dbraw/zinc/57/00/99/620570099.db2.gz UBHWNFVKKMPOQI-LRDDRELGSA-N 1 2 298.390 3.045 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(C)c(C)c1 ZINC000901415831 620880734 /nfs/dbraw/zinc/88/07/34/620880734.db2.gz AESIHHXILCBYLZ-FPLPWBNLSA-N 1 2 254.333 3.416 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc2c(c1)OCCO2 ZINC000901416720 620881628 /nfs/dbraw/zinc/88/16/28/620881628.db2.gz FMNPUSRERNSHGC-SNAWJCMRSA-N 1 2 298.342 3.131 20 30 CGEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1c[nH+]cn1C)CO2 ZINC000901464600 620895390 /nfs/dbraw/zinc/89/53/90/620895390.db2.gz KVSCNTBFMHRLCZ-AWNIVKPZSA-N 1 2 282.343 3.202 20 30 CGEDLO C[C@H]1C/C(=C\c2c[nH+]cn2C)C(=O)c2sccc21 ZINC000901520817 620912856 /nfs/dbraw/zinc/91/28/56/620912856.db2.gz ZCPRFRJFTXLTLR-CMWXKVOJSA-N 1 2 258.346 3.255 20 30 CGEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2cc(C#N)ccn2)o1 ZINC000902817944 621454772 /nfs/dbraw/zinc/45/47/72/621454772.db2.gz GSMKDFWNGWGJCK-MLGOLLRUSA-N 1 2 299.374 3.147 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1cccc(C#N)c1O ZINC000903413474 621734270 /nfs/dbraw/zinc/73/42/70/621734270.db2.gz MZGLHPDXVVETHJ-LALPHHSUSA-N 1 2 256.349 3.269 20 30 CGEDLO C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cccc(C#N)c1O ZINC000903429835 621743057 /nfs/dbraw/zinc/74/30/57/621743057.db2.gz SSCHMVIRCSVYTD-SJKOYZFVSA-N 1 2 293.370 3.461 20 30 CGEDLO C=C(Br)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186153196 625522355 /nfs/dbraw/zinc/52/23/55/625522355.db2.gz VZYVZLWKAUZGCV-UHFFFAOYSA-N 1 2 278.193 3.442 20 30 CGEDLO C=C(Br)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186153196 625522368 /nfs/dbraw/zinc/52/23/68/625522368.db2.gz VZYVZLWKAUZGCV-UHFFFAOYSA-N 1 2 278.193 3.442 20 30 CGEDLO C=CCC1(c2nc(-c3ccc(N)[nH+]c3C)no2)CCC1 ZINC000904261275 621897655 /nfs/dbraw/zinc/89/76/55/621897655.db2.gz BJBXJKNLISVCLX-UHFFFAOYSA-N 1 2 270.336 3.020 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Br)o1 ZINC000043419628 622284351 /nfs/dbraw/zinc/28/43/51/622284351.db2.gz NOBPWDNLJMPVNG-UHFFFAOYSA-N 1 2 285.185 3.414 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)o1 ZINC000043419628 622284354 /nfs/dbraw/zinc/28/43/54/622284354.db2.gz NOBPWDNLJMPVNG-UHFFFAOYSA-N 1 2 285.185 3.414 20 30 CGEDLO NC(=[NH+]OCc1ccccc1)c1ccc(Cl)cc1 ZINC000029465025 622736660 /nfs/dbraw/zinc/73/66/60/622736660.db2.gz CBYCQGJUWKBHHB-UHFFFAOYSA-N 1 2 260.724 3.177 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000151154502 622737127 /nfs/dbraw/zinc/73/71/27/622737127.db2.gz QSHOQQXAEURHDJ-ZDUSSCGKSA-N 1 2 281.758 3.473 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000151154502 622737135 /nfs/dbraw/zinc/73/71/35/622737135.db2.gz QSHOQQXAEURHDJ-ZDUSSCGKSA-N 1 2 281.758 3.473 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCCOCC2CC2)c1 ZINC000061242257 623118803 /nfs/dbraw/zinc/11/88/03/623118803.db2.gz DMXZVPUYLAVQFU-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO C=CCCC(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919151236 624390812 /nfs/dbraw/zinc/39/08/12/624390812.db2.gz PVONEOILVTZARF-UHFFFAOYSA-N 1 2 254.333 3.009 20 30 CGEDLO NC(Cc1ccccc1)=[NH+]OCc1cccc2cccnc21 ZINC000072001867 625216863 /nfs/dbraw/zinc/21/68/63/625216863.db2.gz YSQFHJKCUXWKQM-UHFFFAOYSA-N 1 2 291.354 3.266 20 30 CGEDLO C=CCC1(C(=O)OCc2ccc[nH+]c2N)CCCCC1 ZINC000922782871 626045760 /nfs/dbraw/zinc/04/57/60/626045760.db2.gz KVMHCYOJYDWPGZ-UHFFFAOYSA-N 1 2 274.364 3.234 20 30 CGEDLO C#CC[N@@H+](CC(=O)Nc1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000763950075 627186389 /nfs/dbraw/zinc/18/63/89/627186389.db2.gz IYTNMSJHABFLPK-AWEZNQCLSA-N 1 2 284.403 3.236 20 30 CGEDLO C#CC[N@H+](CC(=O)Nc1ccc([C@@H](C)CC)cc1)C1CC1 ZINC000763950075 627186391 /nfs/dbraw/zinc/18/63/91/627186391.db2.gz IYTNMSJHABFLPK-AWEZNQCLSA-N 1 2 284.403 3.236 20 30 CGEDLO Cc1cccc2c1OC/C(=C/c1cccc3[nH+]ccn31)C2=O ZINC000769607380 627569376 /nfs/dbraw/zinc/56/93/76/627569376.db2.gz JUXRPGNDTCNVTR-RAXLEYEMSA-N 1 2 290.322 3.301 20 30 CGEDLO Cc1ccc2[nH+]cc(/C=C3\Oc4cc(F)ccc4C3=O)n2c1 ZINC000773172525 627864935 /nfs/dbraw/zinc/86/49/35/627864935.db2.gz OAOUSCXZXMHVQP-CHHVJCJISA-N 1 2 294.285 3.398 20 30 CGEDLO C=C(CC)C[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000773407677 627880913 /nfs/dbraw/zinc/88/09/13/627880913.db2.gz BYDVUOFFXNTYER-UHFFFAOYSA-N 1 2 290.382 3.117 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](C)c1csc(C(C)C)n1)[C@@H]1CCCO1 ZINC000775571750 628108091 /nfs/dbraw/zinc/10/80/91/628108091.db2.gz KYHWDEDTZCMBFT-OBJOEFQTSA-N 1 2 278.421 3.098 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775732435 628130684 /nfs/dbraw/zinc/13/06/84/628130684.db2.gz XBLLVTOWVJZUBD-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775732435 628130686 /nfs/dbraw/zinc/13/06/86/628130686.db2.gz XBLLVTOWVJZUBD-OAHLLOKOSA-N 1 2 281.758 3.266 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1F ZINC000776729140 628227956 /nfs/dbraw/zinc/22/79/56/628227956.db2.gz PZLKZFNPCMUATA-SREVYHEPSA-N 1 2 291.285 3.241 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(C#N)cc2C)ccc1F ZINC000776742594 628229635 /nfs/dbraw/zinc/22/96/35/628229635.db2.gz HPIRIVBLPPZXJZ-UHFFFAOYSA-N 1 2 297.333 3.151 20 30 CGEDLO FC(F)(F)CCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000777457941 628273352 /nfs/dbraw/zinc/27/33/52/628273352.db2.gz CQCRLIZYLMDNSE-UHFFFAOYSA-N 1 2 287.285 3.007 20 30 CGEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC=CCC1 ZINC000778968874 628380395 /nfs/dbraw/zinc/38/03/95/628380395.db2.gz OXCWUZUHIHBXAL-UHFFFAOYSA-N 1 2 262.740 3.004 20 30 CGEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC=CCC1 ZINC000778968874 628380397 /nfs/dbraw/zinc/38/03/97/628380397.db2.gz OXCWUZUHIHBXAL-UHFFFAOYSA-N 1 2 262.740 3.004 20 30 CGEDLO N#Cc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)c(F)c1 ZINC000781108894 628537134 /nfs/dbraw/zinc/53/71/34/628537134.db2.gz UTEURRZCWFRKKZ-FNORWQNLSA-N 1 2 291.285 3.241 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCO[C@H](C)C2)c1 ZINC000783686014 628739395 /nfs/dbraw/zinc/73/93/95/628739395.db2.gz UQVZZTKSSUDSCR-JXZQLDPRSA-N 1 2 291.391 3.415 20 30 CGEDLO CC[C@@H](C)N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000790184392 629190330 /nfs/dbraw/zinc/19/03/30/629190330.db2.gz VFUVAIGJMRGLPV-SECBINFHSA-N 1 2 286.832 3.119 20 30 CGEDLO C#CC[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000792301211 629354905 /nfs/dbraw/zinc/35/49/05/629354905.db2.gz CRJKLFDRXWPYNE-UHFFFAOYSA-N 1 2 272.573 3.168 20 30 CGEDLO C#CC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000792301211 629354907 /nfs/dbraw/zinc/35/49/07/629354907.db2.gz CRJKLFDRXWPYNE-UHFFFAOYSA-N 1 2 272.573 3.168 20 30 CGEDLO C=CC[C@H](CC)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000799324826 630167288 /nfs/dbraw/zinc/16/72/88/630167288.db2.gz YJTZXLWLAGVSPE-NSHDSACASA-N 1 2 273.384 3.348 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C[C@@H](C)O1 ZINC000799725154 630225247 /nfs/dbraw/zinc/22/52/47/630225247.db2.gz VBIOIUZPISIUQN-KCYZZUKISA-N 1 2 299.418 3.404 20 30 CGEDLO C#CCSCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806146137 630548814 /nfs/dbraw/zinc/54/88/14/630548814.db2.gz KOLRYQMFSJUUKA-CYBMUJFWSA-N 1 2 283.824 3.453 20 30 CGEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@](C)(CC)CC1=O ZINC000808139391 630624992 /nfs/dbraw/zinc/62/49/92/630624992.db2.gz GAACXFWYZBVIPT-SFHVURJKSA-N 1 2 286.419 3.281 20 30 CGEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@](C)(CC)CC1=O ZINC000808139391 630624993 /nfs/dbraw/zinc/62/49/93/630624993.db2.gz GAACXFWYZBVIPT-SFHVURJKSA-N 1 2 286.419 3.281 20 30 CGEDLO C=CCCC[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000878224001 635421251 /nfs/dbraw/zinc/42/12/51/635421251.db2.gz UDYWVFVQORNSGX-QGZVFWFLSA-N 1 2 297.402 3.139 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(C(C)(C)C)nc1 ZINC000809716050 630789733 /nfs/dbraw/zinc/78/97/33/630789733.db2.gz JTGQILDLNZMWTH-UHFFFAOYSA-N 1 2 293.414 3.410 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(C(C)(C)C)nc1 ZINC000809716050 630789739 /nfs/dbraw/zinc/78/97/39/630789739.db2.gz JTGQILDLNZMWTH-UHFFFAOYSA-N 1 2 293.414 3.410 20 30 CGEDLO CC1(C)CC(=[NH+]OCc2cccnc2)c2cc(N)ccc2O1 ZINC000814884109 631664092 /nfs/dbraw/zinc/66/40/92/631664092.db2.gz OIYZZMZLFDLQFU-UHFFFAOYSA-N 1 2 297.358 3.146 20 30 CGEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccnc(F)c1)CCCC2 ZINC000817326601 632121502 /nfs/dbraw/zinc/12/15/02/632121502.db2.gz ROARGEVHKSPBQQ-UHFFFAOYSA-N 1 2 284.338 3.346 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(F)c1O ZINC000818356822 632313684 /nfs/dbraw/zinc/31/36/84/632313684.db2.gz RHYAIMXEQGMMBA-ATZCPNFKSA-N 1 2 266.291 3.013 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OC)cc1 ZINC000820598284 632652043 /nfs/dbraw/zinc/65/20/43/632652043.db2.gz BJISDCVPGCCHOJ-UHFFFAOYSA-N 1 2 296.370 3.495 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccncc1 ZINC000866272450 633056167 /nfs/dbraw/zinc/05/61/67/633056167.db2.gz OKYAUIWUMDTAJB-LRDDRELGSA-N 1 2 281.359 3.461 20 30 CGEDLO CCSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866275476 633058848 /nfs/dbraw/zinc/05/88/48/633058848.db2.gz LAISXRUTIPZZBS-NEPJUHHUSA-N 1 2 278.421 3.446 20 30 CGEDLO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cccc(C#N)c1O ZINC000866296946 633068344 /nfs/dbraw/zinc/06/83/44/633068344.db2.gz PEYVAMHBFYBMJK-UONOGXRCSA-N 1 2 296.370 3.382 20 30 CGEDLO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866341044 633088886 /nfs/dbraw/zinc/08/88/86/633088886.db2.gz NTCMYFFZAUMEAY-IUCAKERBSA-N 1 2 272.270 3.255 20 30 CGEDLO CCCc1nc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866362585 633101390 /nfs/dbraw/zinc/10/13/90/633101390.db2.gz BYVFZJZIDDFNRF-LLVKDONJSA-N 1 2 299.374 3.364 20 30 CGEDLO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O)C1CC1 ZINC000866373195 633109399 /nfs/dbraw/zinc/10/93/99/633109399.db2.gz MBPSKTMMZDOYTC-PRXAMGSTSA-N 1 2 288.391 3.118 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cccc(C#N)c1O ZINC000866380400 633113210 /nfs/dbraw/zinc/11/32/10/633113210.db2.gz DFADPYCWMRUCQR-VHSXEESVSA-N 1 2 268.307 3.206 20 30 CGEDLO CCC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)OCC ZINC000866396118 633121670 /nfs/dbraw/zinc/12/16/70/633121670.db2.gz NDOUVCVQBJPGSA-TZMCWYRMSA-N 1 2 276.380 3.120 20 30 CGEDLO C[C@H]([NH2+][C@H]1CCCC12CC2)c1cccc(C#N)c1O ZINC000866411582 633127077 /nfs/dbraw/zinc/12/70/77/633127077.db2.gz QEMLGBQOGLOFEG-FZMZJTMJSA-N 1 2 256.349 3.247 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccnn1CCC)c1ccc(Cl)cc1 ZINC000825948401 633391515 /nfs/dbraw/zinc/39/15/15/633391515.db2.gz ARSHERSYTRMTRX-MRXNPFEDSA-N 1 2 287.794 3.411 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000826861707 633438087 /nfs/dbraw/zinc/43/80/87/633438087.db2.gz IYKMWLWCXXXHCK-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000826861707 633438089 /nfs/dbraw/zinc/43/80/89/633438089.db2.gz IYKMWLWCXXXHCK-GFCCVEGCSA-N 1 2 288.782 3.113 20 30 CGEDLO CCOC(=O)C(C)(C)O[NH+]=C(C)c1ccc(N)cc1Cl ZINC000835006334 634311524 /nfs/dbraw/zinc/31/15/24/634311524.db2.gz PSLLNZRIJAKPJL-UHFFFAOYSA-N 1 2 298.770 3.005 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000877493785 635059381 /nfs/dbraw/zinc/05/93/81/635059381.db2.gz GWZRJXVSTJNZIN-UHFFFAOYSA-N 1 2 288.244 3.118 20 30 CGEDLO CC(C)[C@H]1[N@H+](Cc2cc(C#N)cnc2Cl)CC1(C)C ZINC000877548890 635083856 /nfs/dbraw/zinc/08/38/56/635083856.db2.gz VOOMWGSUNCKIIM-CYBMUJFWSA-N 1 2 277.799 3.473 20 30 CGEDLO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)cnc2Cl)CC1(C)C ZINC000877548890 635083861 /nfs/dbraw/zinc/08/38/61/635083861.db2.gz VOOMWGSUNCKIIM-CYBMUJFWSA-N 1 2 277.799 3.473 20 30 CGEDLO N#CC1(C[NH2+]Cc2cccnc2Br)CCCC1 ZINC000877609279 635110786 /nfs/dbraw/zinc/11/07/86/635110786.db2.gz JINWBSFPGYPAAT-UHFFFAOYSA-N 1 2 294.196 3.018 20 30 CGEDLO CCOc1cccc(F)c1C[NH2+]CC1(C#N)CCCC1 ZINC000877610644 635111218 /nfs/dbraw/zinc/11/12/18/635111218.db2.gz WATDGRWLCCIBNC-UHFFFAOYSA-N 1 2 276.355 3.398 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877616783 635114707 /nfs/dbraw/zinc/11/47/07/635114707.db2.gz HPIPIGITTVCUON-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877616783 635114715 /nfs/dbraw/zinc/11/47/15/635114715.db2.gz HPIPIGITTVCUON-JTQLQIEISA-N 1 2 269.175 3.234 20 30 CGEDLO COC(=O)c1c(F)cccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841636797 635205120 /nfs/dbraw/zinc/20/51/20/635205120.db2.gz NKORINQJGIDSIF-QMMMGPOBSA-N 1 2 286.253 3.055 20 30 CGEDLO C#CC[N@H+](Cc1nc(C2CCC2)no1)C1CCCCC1 ZINC000878000292 635313441 /nfs/dbraw/zinc/31/34/41/635313441.db2.gz AAIQTPJOSVFWJY-UHFFFAOYSA-N 1 2 273.380 3.105 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C2CCC2)no1)C1CCCCC1 ZINC000878000292 635313450 /nfs/dbraw/zinc/31/34/50/635313450.db2.gz AAIQTPJOSVFWJY-UHFFFAOYSA-N 1 2 273.380 3.105 20 30 CGEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(C(C)(C)C)oc2=S)C1 ZINC000842629547 635420450 /nfs/dbraw/zinc/42/04/50/635420450.db2.gz PIGXZFNDWWLCSG-GFCCVEGCSA-N 1 2 293.436 3.196 20 30 CGEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(C(C)(C)C)oc2=S)C1 ZINC000842629547 635420455 /nfs/dbraw/zinc/42/04/55/635420455.db2.gz PIGXZFNDWWLCSG-GFCCVEGCSA-N 1 2 293.436 3.196 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)nc1Cl ZINC000878886446 635650479 /nfs/dbraw/zinc/65/04/79/635650479.db2.gz JPYNLUZDZUMETJ-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)nc1Cl ZINC000878886446 635650480 /nfs/dbraw/zinc/65/04/80/635650480.db2.gz JPYNLUZDZUMETJ-LBPRGKRZSA-N 1 2 263.772 3.169 20 30 CGEDLO C=CC[N@H+](Cc1noc2c1CC(C)(C)CC2)[C@H](C)COC ZINC000878889536 635651371 /nfs/dbraw/zinc/65/13/71/635651371.db2.gz ATZOTADKXSDAKA-CYBMUJFWSA-N 1 2 292.423 3.212 20 30 CGEDLO C=CC[N@@H+](Cc1noc2c1CC(C)(C)CC2)[C@H](C)COC ZINC000878889536 635651377 /nfs/dbraw/zinc/65/13/77/635651377.db2.gz ATZOTADKXSDAKA-CYBMUJFWSA-N 1 2 292.423 3.212 20 30 CGEDLO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc1Cl ZINC000879308821 635752772 /nfs/dbraw/zinc/75/27/72/635752772.db2.gz INBWIQBSFNMHCS-AAEUAGOBSA-N 1 2 263.772 3.168 20 30 CGEDLO Cc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc1Cl ZINC000879308821 635752779 /nfs/dbraw/zinc/75/27/79/635752779.db2.gz INBWIQBSFNMHCS-AAEUAGOBSA-N 1 2 263.772 3.168 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000127954337 635837086 /nfs/dbraw/zinc/83/70/86/635837086.db2.gz BGQPBEOOQBEWRF-UHFFFAOYSA-N 1 2 252.308 3.336 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000127954337 635837096 /nfs/dbraw/zinc/83/70/96/635837096.db2.gz BGQPBEOOQBEWRF-UHFFFAOYSA-N 1 2 252.308 3.336 20 30 CGEDLO C=CCCC[C@H](C(=O)NCc1c[nH+]cn1C)c1ccccc1 ZINC000880026811 635901462 /nfs/dbraw/zinc/90/14/62/635901462.db2.gz LGXBQVJNKWKSRO-KRWDZBQOSA-N 1 2 297.402 3.176 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880066638 635907906 /nfs/dbraw/zinc/90/79/06/635907906.db2.gz HZSWYEVPEVCCNN-ZFWWWQNUSA-N 1 2 297.320 3.080 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H](C(F)(F)F)O1 ZINC000880066638 635907909 /nfs/dbraw/zinc/90/79/09/635907909.db2.gz HZSWYEVPEVCCNN-ZFWWWQNUSA-N 1 2 297.320 3.080 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCC(C)(C)C#N)C3 ZINC000880370055 635983732 /nfs/dbraw/zinc/98/37/32/635983732.db2.gz WKEMCXYTNZXQIT-UHFFFAOYSA-N 1 2 297.402 3.474 20 30 CGEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCC(C)(C)C#N)C3 ZINC000880370055 635983734 /nfs/dbraw/zinc/98/37/34/635983734.db2.gz WKEMCXYTNZXQIT-UHFFFAOYSA-N 1 2 297.402 3.474 20 30 CGEDLO Cc1nc(C#N)cc(Nc2ccc(NC3CCCC3)[nH+]c2)n1 ZINC000881905097 636213677 /nfs/dbraw/zinc/21/36/77/636213677.db2.gz NFGBZFNLHRPOQM-UHFFFAOYSA-N 1 2 294.362 3.150 20 30 CGEDLO C#C[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000847022675 636313690 /nfs/dbraw/zinc/31/36/90/636313690.db2.gz ISZLRJGXSQGXIK-LBPRGKRZSA-N 1 2 289.329 3.277 20 30 CGEDLO C#C[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000847022675 636313698 /nfs/dbraw/zinc/31/36/98/636313698.db2.gz ISZLRJGXSQGXIK-LBPRGKRZSA-N 1 2 289.329 3.277 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000848418749 636572377 /nfs/dbraw/zinc/57/23/77/636572377.db2.gz SGLPBXQDCMDDSQ-UHFFFAOYSA-N 1 2 294.761 3.080 20 30 CGEDLO CCC(O)(CC)C(C)(C)C/[NH+]=C/c1cccc(OC)c1O ZINC000849170476 636762215 /nfs/dbraw/zinc/76/22/15/636762215.db2.gz PSMCUOKETXFUCR-WOJGMQOQSA-N 1 2 293.407 3.397 20 30 CGEDLO C=CC(C)(C)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851400613 637383723 /nfs/dbraw/zinc/38/37/23/637383723.db2.gz JPTRPXQRPSMVCG-UHFFFAOYSA-N 1 2 288.391 3.053 20 30 CGEDLO C=C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000851451646 637398042 /nfs/dbraw/zinc/39/80/42/637398042.db2.gz KJUXFQRRURFDMK-DZGCQCFKSA-N 1 2 270.332 3.305 20 30 CGEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3cccc(Cl)c3C2)CCC1 ZINC000886206652 637457272 /nfs/dbraw/zinc/45/72/72/637457272.db2.gz ZTQOPRMZKBOEIW-CYBMUJFWSA-N 1 2 290.794 3.100 20 30 CGEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3cccc(Cl)c3C2)CCC1 ZINC000886206652 637457281 /nfs/dbraw/zinc/45/72/81/637457281.db2.gz ZTQOPRMZKBOEIW-CYBMUJFWSA-N 1 2 290.794 3.100 20 30 CGEDLO COc1cccc(C[NH+]2CCC(C#N)CC2)c1Cl ZINC000851740138 637488797 /nfs/dbraw/zinc/48/87/97/637488797.db2.gz LSZQJCAKBUUVEB-UHFFFAOYSA-N 1 2 264.756 3.084 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852319243 637633641 /nfs/dbraw/zinc/63/36/41/637633641.db2.gz IJQCJMYRNXHUMV-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852319243 637633644 /nfs/dbraw/zinc/63/36/44/637633644.db2.gz IJQCJMYRNXHUMV-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO CSc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)cc1C#N ZINC000886689839 637654771 /nfs/dbraw/zinc/65/47/71/637654771.db2.gz ITOGCFOXZKXBET-NSHDSACASA-N 1 2 287.388 3.427 20 30 CGEDLO CCOc1cccc(/C=[NH+]\CCC2SCCS2)c1O ZINC000852997912 637727988 /nfs/dbraw/zinc/72/79/88/637727988.db2.gz DWPNWTDADZKBDE-GDNBJRDFSA-N 1 2 297.445 3.406 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(C)n(CCC)c2=S)C1 ZINC000853537196 637863780 /nfs/dbraw/zinc/86/37/80/637863780.db2.gz QXXCBFYMJFLQRS-AWEZNQCLSA-N 1 2 294.468 3.378 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(C)n(CCC)c2=S)C1 ZINC000853537196 637863783 /nfs/dbraw/zinc/86/37/83/637863783.db2.gz QXXCBFYMJFLQRS-AWEZNQCLSA-N 1 2 294.468 3.378 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1cccnc1F ZINC000853561415 637866600 /nfs/dbraw/zinc/86/66/00/637866600.db2.gz BZSHHYHAXKRUFS-UHFFFAOYSA-N 1 2 285.322 3.020 20 30 CGEDLO C#CCCCOc1cccnc1NCc1cc(C)[nH+]c(C)c1 ZINC000853695947 637894797 /nfs/dbraw/zinc/89/47/97/637894797.db2.gz UVWFJIILMRZATG-UHFFFAOYSA-N 1 2 295.386 3.498 20 30 CGEDLO CC[C@H]([NH2+]Cc1csc(C)n1)c1cccc(C#N)c1O ZINC000924721486 638394814 /nfs/dbraw/zinc/39/48/14/638394814.db2.gz GQCMKWVDYFXTBP-AWEZNQCLSA-N 1 2 287.388 3.270 20 30 CGEDLO CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)c1cccc(C#N)c1O ZINC000924917008 638423886 /nfs/dbraw/zinc/42/38/86/638423886.db2.gz OLFOQJJDWASMOY-XJKSGUPXSA-N 1 2 289.423 3.035 20 30 CGEDLO C=CCSCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925349664 638495041 /nfs/dbraw/zinc/49/50/41/638495041.db2.gz DYTNVCWJNIKXLV-AWEZNQCLSA-N 1 2 276.405 3.224 20 30 CGEDLO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc(C#N)c1O ZINC000925465668 638505874 /nfs/dbraw/zinc/50/58/74/638505874.db2.gz IYADYSJFENVDIX-WFASDCNBSA-N 1 2 290.407 3.102 20 30 CGEDLO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cn(C)cn1 ZINC000925600617 638541533 /nfs/dbraw/zinc/54/15/33/638541533.db2.gz HIWOKQOOXHULEF-HIFRSBDPSA-N 1 2 268.364 3.116 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000925637450 638552775 /nfs/dbraw/zinc/55/27/75/638552775.db2.gz LLZXWMVGJSTBMI-BBRMVZONSA-N 1 2 282.391 3.022 20 30 CGEDLO C=CCC[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccccc1 ZINC000857981522 638611722 /nfs/dbraw/zinc/61/17/22/638611722.db2.gz GDZNWBGKRVMUIJ-CVEARBPZSA-N 1 2 295.386 3.194 20 30 CGEDLO CC(C)n1cc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)nn1 ZINC000925926883 638655435 /nfs/dbraw/zinc/65/54/35/638655435.db2.gz VCIZMMJAQYRWIW-CYBMUJFWSA-N 1 2 295.390 3.071 20 30 CGEDLO CC(C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000925924661 638655760 /nfs/dbraw/zinc/65/57/60/638655760.db2.gz XXTHRRFGDQXEKP-OLZOCXBDSA-N 1 2 282.428 3.271 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H]1CCCOC1 ZINC000858653268 639007398 /nfs/dbraw/zinc/00/73/98/639007398.db2.gz RSGSJTVBXWTDQR-OAHLLOKOSA-N 1 2 288.391 3.102 20 30 CGEDLO C#CC[N@H+](Cc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000932464022 639337804 /nfs/dbraw/zinc/33/78/04/639337804.db2.gz SLWKDQLWBDWWLK-UHFFFAOYSA-N 1 2 276.327 3.396 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C(C)(C)C ZINC000932464022 639337809 /nfs/dbraw/zinc/33/78/09/639337809.db2.gz SLWKDQLWBDWWLK-UHFFFAOYSA-N 1 2 276.327 3.396 20 30 CGEDLO C[C@H](c1ccccn1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631123 639471982 /nfs/dbraw/zinc/47/19/82/639471982.db2.gz VQFDFIYQQCOGCU-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C[C@H](c1ccccn1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631123 639471987 /nfs/dbraw/zinc/47/19/87/639471987.db2.gz VQFDFIYQQCOGCU-RDTXWAMCSA-N 1 2 293.370 3.088 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000934464084 639613426 /nfs/dbraw/zinc/61/34/26/639613426.db2.gz BUWPFDNHEVHDBF-OAHLLOKOSA-N 1 2 283.375 3.119 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000934464084 639613430 /nfs/dbraw/zinc/61/34/30/639613430.db2.gz BUWPFDNHEVHDBF-OAHLLOKOSA-N 1 2 283.375 3.119 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cccnc1C(F)(F)F ZINC000934515729 639624632 /nfs/dbraw/zinc/62/46/32/639624632.db2.gz RAMWJWXDODKRSQ-GFCCVEGCSA-N 1 2 268.282 3.088 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC000934515729 639624641 /nfs/dbraw/zinc/62/46/41/639624641.db2.gz RAMWJWXDODKRSQ-GFCCVEGCSA-N 1 2 268.282 3.088 20 30 CGEDLO C=C(C)c1cccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000934883827 639700046 /nfs/dbraw/zinc/70/00/46/639700046.db2.gz YTIXFOQQQOIYGJ-HNNXBMFYSA-N 1 2 296.374 3.053 20 30 CGEDLO Oc1ccc2ccccc2c1/C=[NH+]/C[C@@H]1CCCOC1 ZINC000048627850 640063468 /nfs/dbraw/zinc/06/34/68/640063468.db2.gz OPVMBGFGGCFSNP-FHXOWUIVSA-N 1 2 269.344 3.391 20 30 CGEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccccn2)cc1 ZINC000254753937 640914518 /nfs/dbraw/zinc/91/45/18/640914518.db2.gz VMOWXHQAZCFRRQ-UHFFFAOYSA-N 1 2 268.364 3.374 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008189818 640947080 /nfs/dbraw/zinc/94/70/80/640947080.db2.gz GNYYUFBKJZOMHD-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008189818 640947083 /nfs/dbraw/zinc/94/70/83/640947083.db2.gz GNYYUFBKJZOMHD-GJZGRUSLSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014751904 640975648 /nfs/dbraw/zinc/97/56/48/640975648.db2.gz JAUYCBFQFGIJFO-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014751904 640975653 /nfs/dbraw/zinc/97/56/53/640975653.db2.gz JAUYCBFQFGIJFO-AWEZNQCLSA-N 1 2 298.858 3.290 20 30 CGEDLO COc1ccc(O[C@@H](C)CNc2cc(CC#N)cc[nH+]2)cc1 ZINC001156079708 805650087 /nfs/dbraw/zinc/65/00/87/805650087.db2.gz CXWNMVHZYINZAG-ZDUSSCGKSA-N 1 2 297.358 3.036 20 30 CGEDLO CC(=O)Nc1c(C)cc[nH+]c1N[C@@H](C)c1cccc(C#N)c1 ZINC001156876130 805744176 /nfs/dbraw/zinc/74/41/76/805744176.db2.gz KJQDXKFKVUNXNG-LBPRGKRZSA-N 1 2 294.358 3.393 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+]C1(c2nc(C)no2)CC1 ZINC001252139608 806024329 /nfs/dbraw/zinc/02/43/29/806024329.db2.gz QAIWKNFFLNSJSO-AWEZNQCLSA-N 1 2 295.427 3.068 20 30 CGEDLO Cc1c(F)cc[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001159085090 806040617 /nfs/dbraw/zinc/04/06/17/806040617.db2.gz ZXTKJKYQMVIKQL-UHFFFAOYSA-N 1 2 259.259 3.152 20 30 CGEDLO CCCCCCCCCC[C@H](O)C[NH2+]CC(F)(F)CO ZINC001252986550 806147624 /nfs/dbraw/zinc/14/76/24/806147624.db2.gz MODGFSUXLMUOSI-AWEZNQCLSA-N 1 2 295.414 3.095 20 30 CGEDLO C=CCCCCCC[C@@H](O)CNc1ccc(N(C)C)[nH+]c1 ZINC001253230423 806186214 /nfs/dbraw/zinc/18/62/14/806186214.db2.gz ZNXKWUKVNBCPES-MRXNPFEDSA-N 1 2 291.439 3.447 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H](c2ccccc2)C2(O)CCC2)c1 ZINC001160541551 806283417 /nfs/dbraw/zinc/28/34/17/806283417.db2.gz RMQBETDCZXOFQD-QGZVFWFLSA-N 1 2 293.370 3.216 20 30 CGEDLO Cc1cc2ccccc2[nH+]c1NCc1cncc(C#N)c1 ZINC001160991669 806333502 /nfs/dbraw/zinc/33/35/02/806333502.db2.gz ASIXWIQJBMWOEX-UHFFFAOYSA-N 1 2 274.327 3.422 20 30 CGEDLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001161691743 806421875 /nfs/dbraw/zinc/42/18/75/806421875.db2.gz QAQHWAULQKENEA-RISCZKNCSA-N 1 2 267.332 3.086 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1N[C@@H](C#N)c1ccccc1 ZINC001161718800 806432184 /nfs/dbraw/zinc/43/21/84/806432184.db2.gz TVOJTMMFIFSJSC-AWEZNQCLSA-N 1 2 266.348 3.133 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H](c2cncc(F)c2)C2CC2)c1 ZINC001161814801 806461875 /nfs/dbraw/zinc/46/18/75/806461875.db2.gz KLGSIMWHQPRUKF-INIZCTEOSA-N 1 2 282.322 3.245 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001255161829 806559701 /nfs/dbraw/zinc/55/97/01/806559701.db2.gz ALAMGPDORLRWJZ-FZMZJTMJSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001255164616 806562703 /nfs/dbraw/zinc/56/27/03/806562703.db2.gz OSIMXFCRHFFUOI-MFKMUULPSA-N 1 2 287.190 3.309 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(F)c1OC ZINC001255164965 806563592 /nfs/dbraw/zinc/56/35/92/806563592.db2.gz RDGKFSDSKQLGHL-GHMZBOCLSA-N 1 2 250.317 3.177 20 30 CGEDLO C=C(Br)C[NH2+]Cc1cccc(O)c1Cl ZINC000328212674 799250376 /nfs/dbraw/zinc/25/03/76/799250376.db2.gz JAOADXLRCLTQHM-UHFFFAOYSA-N 1 2 276.561 3.044 20 30 CGEDLO C[C@@H](CSc1ccc(F)cc1)[N@H+](C)CCC#N ZINC001255741973 806730704 /nfs/dbraw/zinc/73/07/04/806730704.db2.gz VRVNRLQQKVVIPL-NSHDSACASA-N 1 2 252.358 3.152 20 30 CGEDLO C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)CCC#N ZINC001255741973 806730709 /nfs/dbraw/zinc/73/07/09/806730709.db2.gz VRVNRLQQKVVIPL-NSHDSACASA-N 1 2 252.358 3.152 20 30 CGEDLO CSc1cc(Br)ccc1C[NH2+]CCC#N ZINC000336734166 799271391 /nfs/dbraw/zinc/27/13/91/799271391.db2.gz MXJYOEHQOMOBAJ-UHFFFAOYSA-N 1 2 285.210 3.174 20 30 CGEDLO CC(C)C[C@H](Nc1cc(-c2ccccc2)cc[nH+]1)C(=O)NO ZINC001163416429 806761254 /nfs/dbraw/zinc/76/12/54/806761254.db2.gz WDQQGVSTGJKMKZ-HNNXBMFYSA-N 1 2 299.374 3.081 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001255870997 806777124 /nfs/dbraw/zinc/77/71/24/806777124.db2.gz RSWXITZOKUZASV-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001255870997 806777129 /nfs/dbraw/zinc/77/71/29/806777129.db2.gz RSWXITZOKUZASV-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255870997 806777135 /nfs/dbraw/zinc/77/71/35/806777135.db2.gz RSWXITZOKUZASV-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001255870997 806777136 /nfs/dbraw/zinc/77/71/36/806777136.db2.gz RSWXITZOKUZASV-ABAIWWIYSA-N 1 2 291.391 3.031 20 30 CGEDLO C=CCC1(O)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000717459899 800202071 /nfs/dbraw/zinc/20/20/71/800202071.db2.gz LULZTQRMMRWKGW-UHFFFAOYSA-N 1 2 268.360 3.142 20 30 CGEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001031112362 800904200 /nfs/dbraw/zinc/90/42/00/800904200.db2.gz UZSKBJQMBUZEDK-CABCVRRESA-N 1 2 292.467 3.215 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3ccccc3c2)C1 ZINC001044225013 801232997 /nfs/dbraw/zinc/23/29/97/801232997.db2.gz IZTAGOJWSAWSQO-UHFFFAOYSA-N 1 2 294.398 3.172 20 30 CGEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001044255350 801235445 /nfs/dbraw/zinc/23/54/45/801235445.db2.gz FTUUMLIDXSGKRX-UHFFFAOYSA-N 1 2 292.467 3.168 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071476374 801538286 /nfs/dbraw/zinc/53/82/86/801538286.db2.gz FWPLMYQMPPVNIV-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071476374 801538287 /nfs/dbraw/zinc/53/82/87/801538287.db2.gz FWPLMYQMPPVNIV-TZMCWYRMSA-N 1 2 298.858 3.144 20 30 CGEDLO CCCC[N@H+](CC#N)[C@@H]1CCc2c(cccc2OC)C1 ZINC001256653691 806941165 /nfs/dbraw/zinc/94/11/65/806941165.db2.gz FUCCFGWVFYIZMK-OAHLLOKOSA-N 1 2 272.392 3.178 20 30 CGEDLO CCCC[N@@H+](CC#N)[C@@H]1CCc2c(cccc2OC)C1 ZINC001256653691 806941167 /nfs/dbraw/zinc/94/11/67/806941167.db2.gz FUCCFGWVFYIZMK-OAHLLOKOSA-N 1 2 272.392 3.178 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC001116541643 802375144 /nfs/dbraw/zinc/37/51/44/802375144.db2.gz LFGDBSGQYALQDP-ZDUSSCGKSA-N 1 2 280.437 3.218 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC001116541643 802375153 /nfs/dbraw/zinc/37/51/53/802375153.db2.gz LFGDBSGQYALQDP-ZDUSSCGKSA-N 1 2 280.437 3.218 20 30 CGEDLO COc1c(C)c[nH+]c(CSCCCC#N)c1C ZINC001116762045 802407339 /nfs/dbraw/zinc/40/73/39/802407339.db2.gz YUBNACPBTVCWQO-UHFFFAOYSA-N 1 2 250.367 3.244 20 30 CGEDLO C=C(CC(C)C)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC001123542305 802952364 /nfs/dbraw/zinc/95/23/64/802952364.db2.gz OMRHNNXHBCNUJS-UHFFFAOYSA-N 1 2 290.407 3.268 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131918786 803357793 /nfs/dbraw/zinc/35/77/93/803357793.db2.gz SPDCELKTZJMHFZ-GFUGXAQUSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131918786 803357800 /nfs/dbraw/zinc/35/78/00/803357800.db2.gz SPDCELKTZJMHFZ-GFUGXAQUSA-N 1 2 284.831 3.064 20 30 CGEDLO N#Cc1cnc2ccc(-c3c[nH+]cn3Cc3ccccc3)cn12 ZINC001245196817 803661187 /nfs/dbraw/zinc/66/11/87/803661187.db2.gz HNBYEUQYPWOLIH-UHFFFAOYSA-N 1 2 299.337 3.118 20 30 CGEDLO Cc1csc(C[NH+]2CC(Oc3ccccc3C#N)C2)c1 ZINC001137161541 803692597 /nfs/dbraw/zinc/69/25/97/803692597.db2.gz HEJHVINJDBQUAZ-UHFFFAOYSA-N 1 2 284.384 3.191 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC001137282161 803708245 /nfs/dbraw/zinc/70/82/45/803708245.db2.gz GMQHVYMKLJXISN-UHFFFAOYSA-N 1 2 253.349 3.360 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC001137282161 803708249 /nfs/dbraw/zinc/70/82/49/803708249.db2.gz GMQHVYMKLJXISN-UHFFFAOYSA-N 1 2 253.349 3.360 20 30 CGEDLO N#Cc1ccc(-c2ccccc2Cn2cc[nH+]c2)cc1 ZINC001245495737 803767818 /nfs/dbraw/zinc/76/78/18/803767818.db2.gz BTYCZUMELQHHKV-UHFFFAOYSA-N 1 2 259.312 3.470 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001138665531 803997081 /nfs/dbraw/zinc/99/70/81/803997081.db2.gz OQIPGBLITZTXFS-UHFFFAOYSA-N 1 2 287.403 3.443 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001138665531 803997084 /nfs/dbraw/zinc/99/70/84/803997084.db2.gz OQIPGBLITZTXFS-UHFFFAOYSA-N 1 2 287.403 3.443 20 30 CGEDLO C=C(C)COc1ccccc1C[N@H+](C)Cc1ccncn1 ZINC001138665602 803997596 /nfs/dbraw/zinc/99/75/96/803997596.db2.gz ABFOYJGDFNIXBN-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO C=C(C)COc1ccccc1C[N@@H+](C)Cc1ccncn1 ZINC001138665602 803997602 /nfs/dbraw/zinc/99/76/02/803997602.db2.gz ABFOYJGDFNIXBN-UHFFFAOYSA-N 1 2 283.375 3.064 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(C(=O)c2ccc(F)cc2)cn1C ZINC001139320746 804172804 /nfs/dbraw/zinc/17/28/04/804172804.db2.gz PXXMFJATWPMMCZ-UHFFFAOYSA-N 1 2 286.350 3.013 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(C(=O)c2ccc(F)cc2)cn1C ZINC001139320746 804172810 /nfs/dbraw/zinc/17/28/10/804172810.db2.gz PXXMFJATWPMMCZ-UHFFFAOYSA-N 1 2 286.350 3.013 20 30 CGEDLO CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](C#N)C3)c2c1 ZINC001140272113 804405516 /nfs/dbraw/zinc/40/55/16/804405516.db2.gz OVWVVVJIFOEWNC-ZDUSSCGKSA-N 1 2 283.375 3.302 20 30 CGEDLO CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C#N)C3)c2c1 ZINC001140272113 804405520 /nfs/dbraw/zinc/40/55/20/804405520.db2.gz OVWVVVJIFOEWNC-ZDUSSCGKSA-N 1 2 283.375 3.302 20 30 CGEDLO N#Cc1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1Cl ZINC001140806998 804522770 /nfs/dbraw/zinc/52/27/70/804522770.db2.gz YZPOQPNGAZMPNE-UHFFFAOYSA-N 1 2 282.721 3.443 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140884843 804540474 /nfs/dbraw/zinc/54/04/74/804540474.db2.gz RVLMOCAFKBCQGQ-UHFFFAOYSA-N 1 2 290.260 3.460 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140884843 804540480 /nfs/dbraw/zinc/54/04/80/804540480.db2.gz RVLMOCAFKBCQGQ-UHFFFAOYSA-N 1 2 290.260 3.460 20 30 CGEDLO CC(=O)OCc1ccc(C[N@H+](CCC#N)C2CCCC2)o1 ZINC001141786958 804668417 /nfs/dbraw/zinc/66/84/17/804668417.db2.gz CKXJJRFNWTXBDB-UHFFFAOYSA-N 1 2 290.363 3.001 20 30 CGEDLO CC(=O)OCc1ccc(C[N@@H+](CCC#N)C2CCCC2)o1 ZINC001141786958 804668422 /nfs/dbraw/zinc/66/84/22/804668422.db2.gz CKXJJRFNWTXBDB-UHFFFAOYSA-N 1 2 290.363 3.001 20 30 CGEDLO CSc1nc(C[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC001141928992 804680016 /nfs/dbraw/zinc/68/00/16/804680016.db2.gz GYYYSGOUKBOAFR-UHFFFAOYSA-N 1 2 295.411 3.233 20 30 CGEDLO CSc1nc(C[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC001141928992 804680024 /nfs/dbraw/zinc/68/00/24/804680024.db2.gz GYYYSGOUKBOAFR-UHFFFAOYSA-N 1 2 295.411 3.233 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1F ZINC001143172983 804815190 /nfs/dbraw/zinc/81/51/90/804815190.db2.gz IZCIPIKZCKBAHV-CYBMUJFWSA-N 1 2 284.256 3.068 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1F ZINC001143172983 804815197 /nfs/dbraw/zinc/81/51/97/804815197.db2.gz IZCIPIKZCKBAHV-CYBMUJFWSA-N 1 2 284.256 3.068 20 30 CGEDLO COc1c(F)ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143321400 804835291 /nfs/dbraw/zinc/83/52/91/804835291.db2.gz FVRMWAQNRUUIPE-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001143321400 804835297 /nfs/dbraw/zinc/83/52/97/804835297.db2.gz FVRMWAQNRUUIPE-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143322269 804835761 /nfs/dbraw/zinc/83/57/61/804835761.db2.gz YDDAYKGXEBJAGT-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001143322269 804835769 /nfs/dbraw/zinc/83/57/69/804835769.db2.gz YDDAYKGXEBJAGT-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1C(F)(F)F ZINC001143629262 804881309 /nfs/dbraw/zinc/88/13/09/804881309.db2.gz ZEFOVRGUJNKCIZ-UHFFFAOYSA-N 1 2 298.308 3.450 20 30 CGEDLO C=CC[NH+](CC=C)Cc1ccc(OC)c(F)c1F ZINC001143915223 804905669 /nfs/dbraw/zinc/90/56/69/804905669.db2.gz ZNMGJXMFPNNBMG-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO C[C@H](C#N)[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257022114 807029328 /nfs/dbraw/zinc/02/93/28/807029328.db2.gz GGCBRRWZNCZNCW-NVPAJSRCSA-N 1 2 267.376 3.428 20 30 CGEDLO C[C@H](C#N)[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257022114 807029335 /nfs/dbraw/zinc/02/93/35/807029335.db2.gz GGCBRRWZNCZNCW-NVPAJSRCSA-N 1 2 267.376 3.428 20 30 CGEDLO CCOc1c(F)cc(C[NH+]2CCC(C#N)CC2)cc1F ZINC001144023120 804926827 /nfs/dbraw/zinc/92/68/27/804926827.db2.gz PUKAUCGPEDQSLG-UHFFFAOYSA-N 1 2 280.318 3.099 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(OC)c(Cl)c(F)c1F ZINC001249801634 805252592 /nfs/dbraw/zinc/25/25/92/805252592.db2.gz MPHXSAJJXWHIFY-UHFFFAOYSA-N 1 2 261.699 3.245 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(OC)c(Cl)c(F)c1F ZINC001249801634 805252598 /nfs/dbraw/zinc/25/25/98/805252598.db2.gz MPHXSAJJXWHIFY-UHFFFAOYSA-N 1 2 261.699 3.245 20 30 CGEDLO CCOc1cc(C)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001250187972 805475399 /nfs/dbraw/zinc/47/53/99/805475399.db2.gz SIHDTXGSEURBRD-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO CCOc1cc(C)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001250187972 805475400 /nfs/dbraw/zinc/47/54/00/805475400.db2.gz SIHDTXGSEURBRD-MRXNPFEDSA-N 1 2 258.365 3.129 20 30 CGEDLO N#Cc1ccc(C2CCC([NH+]3CC(C#N)C3)CC2)cc1 ZINC001257014495 807027798 /nfs/dbraw/zinc/02/77/98/807027798.db2.gz BZZRQSGLWAERQQ-UHFFFAOYSA-N 1 2 265.360 3.040 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC001167548510 807203704 /nfs/dbraw/zinc/20/37/04/807203704.db2.gz AAHUANVTWWPZJY-WBVHZDCISA-N 1 2 257.377 3.170 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC001167548510 807203705 /nfs/dbraw/zinc/20/37/05/807203705.db2.gz AAHUANVTWWPZJY-WBVHZDCISA-N 1 2 257.377 3.170 20 30 CGEDLO C[C@H](Nc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC001167710207 807232261 /nfs/dbraw/zinc/23/22/61/807232261.db2.gz MSNXFACUGZVQHG-LBPRGKRZSA-N 1 2 262.316 3.379 20 30 CGEDLO CNc1ccc(N[C@@H](C)c2cccc(C#N)c2)c[nH+]1 ZINC001167710088 807232463 /nfs/dbraw/zinc/23/24/63/807232463.db2.gz LCAYGJIOFUPLSE-NSHDSACASA-N 1 2 252.321 3.168 20 30 CGEDLO CCCCCCC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258050428 807277370 /nfs/dbraw/zinc/27/73/70/807277370.db2.gz UWPZXJWDVQDMDD-STQMWFEESA-N 1 2 263.372 3.437 20 30 CGEDLO CCCCCCC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258050428 807277374 /nfs/dbraw/zinc/27/73/74/807277374.db2.gz UWPZXJWDVQDMDD-STQMWFEESA-N 1 2 263.372 3.437 20 30 CGEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(C(C)C)CC1)C(=O)OCC ZINC001258801426 807622156 /nfs/dbraw/zinc/62/21/56/807622156.db2.gz ZXAUPORBUJMCOR-KXJMLMMSSA-N 1 2 279.424 3.299 20 30 CGEDLO N#CCCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001261386607 807741406 /nfs/dbraw/zinc/74/14/06/807741406.db2.gz BBORBEUEROUXJK-UHFFFAOYSA-N 1 2 290.432 3.056 20 30 CGEDLO C=C(C)CCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001262619189 807877809 /nfs/dbraw/zinc/87/78/09/807877809.db2.gz RVHDJFIJEIDTKE-AWEZNQCLSA-N 1 2 292.448 3.310 20 30 CGEDLO C#C[C@@H]1COCC[N@H+]1CCCSc1ccccc1Cl ZINC001171026923 807964071 /nfs/dbraw/zinc/96/40/71/807964071.db2.gz WFKGOCYKJYBABW-CYBMUJFWSA-N 1 2 295.835 3.156 20 30 CGEDLO C#C[C@@H]1COCC[N@@H+]1CCCSc1ccccc1Cl ZINC001171026923 807964077 /nfs/dbraw/zinc/96/40/77/807964077.db2.gz WFKGOCYKJYBABW-CYBMUJFWSA-N 1 2 295.835 3.156 20 30 CGEDLO Cc1cccc2c1CC[C@@H]([NH2+][C@](C)(C#N)C(C)C)C2 ZINC001171551080 808092563 /nfs/dbraw/zinc/09/25/63/808092563.db2.gz AJIRNGBOKWGPGB-NVXWUHKLSA-N 1 2 256.393 3.380 20 30 CGEDLO CC(C)OCC[C@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001172438379 808314130 /nfs/dbraw/zinc/31/41/30/808314130.db2.gz QTCGAIVNWIFTFF-AWEZNQCLSA-N 1 2 252.402 3.396 20 30 CGEDLO CCCC[C@@H](CC(C)C)[NH2+]C1(C#N)CCOCC1 ZINC001173256680 808563532 /nfs/dbraw/zinc/56/35/32/808563532.db2.gz NMDLTYLPJOQHRR-AWEZNQCLSA-N 1 2 252.402 3.254 20 30 CGEDLO CC(C)n1ncc(C#N)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086807 815229627 /nfs/dbraw/zinc/22/96/27/815229627.db2.gz AZVWEPRHJSBHNS-UHFFFAOYSA-N 1 2 292.346 3.469 20 30 CGEDLO CCCCCCCC(C)(C)C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001272219725 808802295 /nfs/dbraw/zinc/80/22/95/808802295.db2.gz NCHOHXXKIPDEIE-UHFFFAOYSA-N 1 2 280.456 3.290 20 30 CGEDLO CCCCCCCC(C)(C)C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001272219725 808802301 /nfs/dbraw/zinc/80/23/01/808802301.db2.gz NCHOHXXKIPDEIE-UHFFFAOYSA-N 1 2 280.456 3.290 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001277671686 809087487 /nfs/dbraw/zinc/08/74/87/809087487.db2.gz ZWIKMBXOLPAUNP-UONOGXRCSA-N 1 2 280.456 3.023 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@H+](CC(=C)Cl)CC1(C)C ZINC001282824035 809265504 /nfs/dbraw/zinc/26/55/04/809265504.db2.gz RMYODOBIVKQQKR-WEKMIXOTSA-N 1 2 296.842 3.088 20 30 CGEDLO C=C/C(C)=C/CC(=O)N[C@@H]1C[N@@H+](CC(=C)Cl)CC1(C)C ZINC001282824035 809265510 /nfs/dbraw/zinc/26/55/10/809265510.db2.gz RMYODOBIVKQQKR-WEKMIXOTSA-N 1 2 296.842 3.088 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=C)Cl)[C@H]1C ZINC001284131675 809297816 /nfs/dbraw/zinc/29/78/16/809297816.db2.gz NOAWOEURTZJCSZ-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)[C@H]1C ZINC001284131675 809297821 /nfs/dbraw/zinc/29/78/21/809297821.db2.gz NOAWOEURTZJCSZ-UONOGXRCSA-N 1 2 298.858 3.310 20 30 CGEDLO N#Cc1cc(Nc2[nH+]cccc2C2CC2)ccc1N ZINC001213433951 815281840 /nfs/dbraw/zinc/28/18/40/815281840.db2.gz QZEYDJJREVKRIZ-UHFFFAOYSA-N 1 2 250.305 3.156 20 30 CGEDLO Cc1cc(C#N)cc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175343599 809368321 /nfs/dbraw/zinc/36/83/21/809368321.db2.gz KNHQSAQMSLRUHQ-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO CN(C)c1ccc(Nc2cc(F)c(C#N)cc2F)c[nH+]1 ZINC001175343859 809368739 /nfs/dbraw/zinc/36/87/39/809368739.db2.gz RDOHPJXIUKJSRH-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO CN(C)c1ccc(Nc2cc(F)cc(F)c2C#N)c[nH+]1 ZINC001175344446 809370060 /nfs/dbraw/zinc/37/00/60/809370060.db2.gz TWCXYTYHXRABFN-UHFFFAOYSA-N 1 2 274.274 3.041 20 30 CGEDLO Cc1cc(C)c(-n2cc(C#N)c3ccc(N)cc32)c[nH+]1 ZINC001213518461 815296045 /nfs/dbraw/zinc/29/60/45/815296045.db2.gz PRCFRGLQZIDOCK-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO C=CCn1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001176543504 809713467 /nfs/dbraw/zinc/71/34/67/809713467.db2.gz FRVFUZPNAUAILR-UHFFFAOYSA-N 1 2 283.379 3.198 20 30 CGEDLO C=CCn1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001176546735 809714793 /nfs/dbraw/zinc/71/47/93/809714793.db2.gz ZRJADKBXHGHKAF-UHFFFAOYSA-N 1 2 279.347 3.058 20 30 CGEDLO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001176546624 809715022 /nfs/dbraw/zinc/71/50/22/809715022.db2.gz VZVTUWIBLAYOGG-ZBFHGGJFSA-N 1 2 289.419 3.494 20 30 CGEDLO N#Cc1cc(Nc2cccc3[nH+]ccn32)ccc1F ZINC001176610401 809730187 /nfs/dbraw/zinc/73/01/87/809730187.db2.gz FVWBORSVJVZVDY-UHFFFAOYSA-N 1 2 252.252 3.089 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(C(F)(F)F)nc1Cl ZINC001180697548 810017849 /nfs/dbraw/zinc/01/78/49/810017849.db2.gz HQZDFGXFWYXOON-UHFFFAOYSA-N 1 2 291.704 3.393 20 30 CGEDLO N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(N)[nH+]c1 ZINC001201295348 811811779 /nfs/dbraw/zinc/81/17/79/811811779.db2.gz PGZYMEDSASAPHG-UHFFFAOYSA-N 1 2 294.236 3.178 20 30 CGEDLO COC(=O)c1cc(C#N)cc(Nc2cc(C)c[nH+]c2C)c1 ZINC001203667147 812423917 /nfs/dbraw/zinc/42/39/17/812423917.db2.gz IWHYYTMBAPDUNS-UHFFFAOYSA-N 1 2 281.315 3.100 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC001204554189 812675843 /nfs/dbraw/zinc/67/58/43/812675843.db2.gz VLNOWKWVCCRVOC-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC001204554189 812675847 /nfs/dbraw/zinc/67/58/47/812675847.db2.gz VLNOWKWVCCRVOC-LLVKDONJSA-N 1 2 296.183 3.433 20 30 CGEDLO Cc1cc(CC(C)C)[nH+]cc1Nc1ccnc(C#N)c1 ZINC001206607159 813372439 /nfs/dbraw/zinc/37/24/39/813372439.db2.gz NBNLEUMMAPABKG-UHFFFAOYSA-N 1 2 266.348 3.021 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(=O)OCC ZINC001207334932 813543418 /nfs/dbraw/zinc/54/34/18/813543418.db2.gz VVQRNVYCYKFCCO-IHRRRGAJSA-N 1 2 285.453 3.004 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(CC)CC)C(=O)OCC ZINC001207342123 813544272 /nfs/dbraw/zinc/54/42/72/813544272.db2.gz XQGICHALAFBABT-RRFJBIMHSA-N 1 2 297.439 3.068 20 30 CGEDLO O=C1C=C2C[N@@H+](CCCC3CCCC3)CC[C@H]2S1 ZINC001208088879 813691236 /nfs/dbraw/zinc/69/12/36/813691236.db2.gz UILODIOTXFEXMG-CQSZACIVSA-N 1 2 265.422 3.231 20 30 CGEDLO O=C1C=C2C[N@H+](CCCC3CCCC3)CC[C@H]2S1 ZINC001208088879 813691238 /nfs/dbraw/zinc/69/12/38/813691238.db2.gz UILODIOTXFEXMG-CQSZACIVSA-N 1 2 265.422 3.231 20 30 CGEDLO C#Cc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001209933300 814203445 /nfs/dbraw/zinc/20/34/45/814203445.db2.gz ZYHWQMSVWHCCER-UHFFFAOYSA-N 1 2 292.382 3.244 20 30 CGEDLO C[C@@H]1CC(=O)C=C(c2cc[nH+]c(N3CCCC3)c2)C1 ZINC001242739217 823117136 /nfs/dbraw/zinc/11/71/36/823117136.db2.gz JOSHLUYHEGLISI-LBPRGKRZSA-N 1 2 256.349 3.064 20 30 CGEDLO Cc1[nH+]cc(Nc2cc(F)c(F)c(C#N)c2F)cc1N ZINC001210294373 814388632 /nfs/dbraw/zinc/38/86/32/814388632.db2.gz WWRKZORVNDGISH-UHFFFAOYSA-N 1 2 278.237 3.005 20 30 CGEDLO Cc1cc(C)c(Nc2c[nH+]c(C)c(N)c2)cc1C#N ZINC001210293654 814389540 /nfs/dbraw/zinc/38/95/40/814389540.db2.gz NWAXBQYUCSAYDQ-UHFFFAOYSA-N 1 2 252.321 3.204 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1ccc(C#N)cc1C ZINC001210374092 814429045 /nfs/dbraw/zinc/42/90/45/814429045.db2.gz GWJATUZSCWAGFE-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO COc1cc(Nc2ccc(C(C)=O)cc2C#N)cc(C)[nH+]1 ZINC001210781070 814626859 /nfs/dbraw/zinc/62/68/59/814626859.db2.gz WSKVLDQXCNJLJY-UHFFFAOYSA-N 1 2 281.315 3.217 20 30 CGEDLO Cc1cc(CNC(=O)Nc2cccc(CC#N)c2)cc(C)[nH+]1 ZINC001218104959 816100339 /nfs/dbraw/zinc/10/03/39/816100339.db2.gz VHASQZBJVXFXQC-UHFFFAOYSA-N 1 2 294.358 3.086 20 30 CGEDLO C=C(C)c1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218274238 816148543 /nfs/dbraw/zinc/14/85/43/816148543.db2.gz DXPTVSPQSPZLBN-CYBMUJFWSA-N 1 2 253.292 3.096 20 30 CGEDLO N#Cc1ccc2cc(O[C@H]3C[NH2+]CC(F)(F)C3)ccc2c1 ZINC001218274200 816148717 /nfs/dbraw/zinc/14/87/17/816148717.db2.gz OVDXEPFSTRQKED-OAHLLOKOSA-N 1 2 288.297 3.087 20 30 CGEDLO N#Cc1ccc2ccc(O[C@@H]3C[NH2+]CC(F)(F)C3)cc2c1 ZINC001218276695 816150088 /nfs/dbraw/zinc/15/00/88/816150088.db2.gz WJXVMKVFPLQKDD-HNNXBMFYSA-N 1 2 288.297 3.087 20 30 CGEDLO N#CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001224379867 816790075 /nfs/dbraw/zinc/79/00/75/816790075.db2.gz BQDIFNDNZVALJG-LLVKDONJSA-N 1 2 285.174 3.108 20 30 CGEDLO N#CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001224379867 816790080 /nfs/dbraw/zinc/79/00/80/816790080.db2.gz BQDIFNDNZVALJG-LLVKDONJSA-N 1 2 285.174 3.108 20 30 CGEDLO Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1O ZINC001243230584 823305058 /nfs/dbraw/zinc/30/50/58/823305058.db2.gz IIDJWRNTPLMEFZ-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO COc1cc(Cl)c(C[NH+]2CCC(C#N)CC2)c(OC)c1 ZINC001231695228 818157907 /nfs/dbraw/zinc/15/79/07/818157907.db2.gz RAGIYPGQIVNDAG-UHFFFAOYSA-N 1 2 294.782 3.093 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc3ccnc(Cl)c3c2)C1 ZINC001231976693 818222065 /nfs/dbraw/zinc/22/20/65/818222065.db2.gz UKZPCWXQUAFPFY-UHFFFAOYSA-N 1 2 271.751 3.234 20 30 CGEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cnsc2)CC1 ZINC001232223267 818283996 /nfs/dbraw/zinc/28/39/96/818283996.db2.gz DVASWBSDZMQWAE-UHFFFAOYSA-N 1 2 283.400 3.200 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001232235778 818288278 /nfs/dbraw/zinc/28/82/78/818288278.db2.gz VBANGVMOKAXAMP-GOSISDBHSA-N 1 2 279.387 3.272 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001232235778 818288284 /nfs/dbraw/zinc/28/82/84/818288284.db2.gz VBANGVMOKAXAMP-GOSISDBHSA-N 1 2 279.387 3.272 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232676494 818416625 /nfs/dbraw/zinc/41/66/25/818416625.db2.gz KICYZFPBTJKZJW-UHFFFAOYSA-N 1 2 266.344 3.204 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232676494 818416629 /nfs/dbraw/zinc/41/66/29/818416629.db2.gz KICYZFPBTJKZJW-UHFFFAOYSA-N 1 2 266.344 3.204 20 30 CGEDLO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678757 818417905 /nfs/dbraw/zinc/41/79/05/818417905.db2.gz OVWIDCGVZWIDNQ-CYBMUJFWSA-N 1 2 296.370 3.465 20 30 CGEDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678757 818417907 /nfs/dbraw/zinc/41/79/07/818417907.db2.gz OVWIDCGVZWIDNQ-CYBMUJFWSA-N 1 2 296.370 3.465 20 30 CGEDLO C[N@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccc1O ZINC001232678790 818417983 /nfs/dbraw/zinc/41/79/83/818417983.db2.gz PYKCTDHRSLRYPI-VMPITWQZSA-N 1 2 278.355 3.409 20 30 CGEDLO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccc1O ZINC001232678790 818417987 /nfs/dbraw/zinc/41/79/87/818417987.db2.gz PYKCTDHRSLRYPI-VMPITWQZSA-N 1 2 278.355 3.409 20 30 CGEDLO C[C@@H]1C(=O)CC[N@H+](Cc2ccc(C#N)s2)C12CCCC2 ZINC001232844718 818454657 /nfs/dbraw/zinc/45/46/57/818454657.db2.gz ANAHVNGFCPCKLB-GFCCVEGCSA-N 1 2 288.416 3.343 20 30 CGEDLO C[C@@H]1C(=O)CC[N@@H+](Cc2ccc(C#N)s2)C12CCCC2 ZINC001232844718 818454662 /nfs/dbraw/zinc/45/46/62/818454662.db2.gz ANAHVNGFCPCKLB-GFCCVEGCSA-N 1 2 288.416 3.343 20 30 CGEDLO Cc1c[nH]c(=O)c(C[N@H+](CCC#N)Cc2ccccc2)c1 ZINC001233189268 818537886 /nfs/dbraw/zinc/53/78/86/818537886.db2.gz SJSDGMAORYZSJH-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO Cc1c[nH]c(=O)c(C[N@@H+](CCC#N)Cc2ccccc2)c1 ZINC001233189268 818537891 /nfs/dbraw/zinc/53/78/91/818537891.db2.gz SJSDGMAORYZSJH-UHFFFAOYSA-N 1 2 281.359 3.012 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc2nc(Cl)ccc2c1 ZINC001233442021 818620694 /nfs/dbraw/zinc/62/06/94/818620694.db2.gz BTRFUSJXVYVMJA-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc2nc(Cl)ccc2c1 ZINC001233442021 818620697 /nfs/dbraw/zinc/62/06/97/818620697.db2.gz BTRFUSJXVYVMJA-UHFFFAOYSA-N 1 2 259.740 3.234 20 30 CGEDLO N#CCc1ccccc1C[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001235524456 819114184 /nfs/dbraw/zinc/11/41/84/819114184.db2.gz FDUKXEAPZSUHBT-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO N#CCc1ccccc1C[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001235524456 819114189 /nfs/dbraw/zinc/11/41/89/819114189.db2.gz FDUKXEAPZSUHBT-UHFFFAOYSA-N 1 2 297.789 3.359 20 30 CGEDLO CCOc1ccc(C[N@H+](C)CCC#N)cc1Br ZINC001236659618 819566404 /nfs/dbraw/zinc/56/64/04/819566404.db2.gz OMMXJDOTGAMPPU-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CCOc1ccc(C[N@@H+](C)CCC#N)cc1Br ZINC001236659618 819566405 /nfs/dbraw/zinc/56/64/05/819566405.db2.gz OMMXJDOTGAMPPU-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO N#Cc1cc2ccc(-c3ccc[nH+]c3N)cc2cc1C#N ZINC001243474009 823414840 /nfs/dbraw/zinc/41/48/40/823414840.db2.gz REMOQICKSVWBEU-UHFFFAOYSA-N 1 2 270.295 3.227 20 30 CGEDLO Cc1cccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1Cl ZINC001236852794 819622276 /nfs/dbraw/zinc/62/22/76/819622276.db2.gz DTXCQVBHXJFIRA-CYBMUJFWSA-N 1 2 293.819 3.423 20 30 CGEDLO Cc1cccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1Cl ZINC001236852794 819622281 /nfs/dbraw/zinc/62/22/81/819622281.db2.gz DTXCQVBHXJFIRA-CYBMUJFWSA-N 1 2 293.819 3.423 20 30 CGEDLO C=CC[NH+](CC=C)Cc1c(O)ccc(F)c1Cl ZINC001237127268 819673044 /nfs/dbraw/zinc/67/30/44/819673044.db2.gz YCFGPWYIZHUJCQ-UHFFFAOYSA-N 1 2 255.720 3.359 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237293546 819719821 /nfs/dbraw/zinc/71/98/21/819719821.db2.gz XMELJSYEUGGVDL-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237293546 819719824 /nfs/dbraw/zinc/71/98/24/819719824.db2.gz XMELJSYEUGGVDL-LLVKDONJSA-N 1 2 283.297 3.226 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238550060 820041122 /nfs/dbraw/zinc/04/11/22/820041122.db2.gz YWFPDNRHKRKADI-UHFFFAOYSA-N 1 2 269.323 3.233 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238550060 820041133 /nfs/dbraw/zinc/04/11/33/820041133.db2.gz YWFPDNRHKRKADI-UHFFFAOYSA-N 1 2 269.323 3.233 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001238608678 820057859 /nfs/dbraw/zinc/05/78/59/820057859.db2.gz XVIZMURQSVISRT-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001238608678 820057867 /nfs/dbraw/zinc/05/78/67/820057867.db2.gz XVIZMURQSVISRT-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO C/C(=C\C=C\[NH3+])c1ccc(C(F)(F)F)cc1C#N ZINC001238843268 820131193 /nfs/dbraw/zinc/13/11/93/820131193.db2.gz UNIJTTZPRZLKGI-YGQDEOHPSA-N 1 2 252.239 3.453 20 30 CGEDLO N#Cc1c(F)ccnc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656727 823476806 /nfs/dbraw/zinc/47/68/06/823476806.db2.gz MCKOVAPQOJWOQE-UHFFFAOYSA-N 1 2 278.290 3.004 20 30 CGEDLO N#CCc1cc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001240219179 820894739 /nfs/dbraw/zinc/89/47/39/820894739.db2.gz DIBRAPQCTKALHO-UHFFFAOYSA-N 1 2 251.264 3.206 20 30 CGEDLO N#Cc1nccc2cc(-c3ccc4[nH+]ccn4c3)ccc12 ZINC001240221582 820899230 /nfs/dbraw/zinc/89/92/30/820899230.db2.gz NEBLENIMOZIVSR-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO CO/N=C/c1cc(-c2ccn3cc[nH+]c3c2)ccc1F ZINC001240518225 821115316 /nfs/dbraw/zinc/11/53/16/821115316.db2.gz MGWPGHUXUDVKGH-VCHYOVAHSA-N 1 2 269.279 3.121 20 30 CGEDLO COc1cc(C#N)ccc1-c1ccccc1Cn1cc[nH+]c1 ZINC001241403022 821801075 /nfs/dbraw/zinc/80/10/75/821801075.db2.gz DUXIRHLHJMMOJL-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO COc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001242300141 822944161 /nfs/dbraw/zinc/94/41/61/822944161.db2.gz BMSYWVRLMGTEDV-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1N[C@H]1CCC[C@H](C#N)C1 ZINC001339288573 936364839 /nfs/dbraw/zinc/36/48/39/936364839.db2.gz QLSDBUSHPAJGED-STQMWFEESA-N 1 2 259.353 3.363 20 30 CGEDLO CC(C)Oc1ccc[nH+]c1N[C@@H]1CCC[C@@H](C#N)C1 ZINC001339288559 936365191 /nfs/dbraw/zinc/36/51/91/936365191.db2.gz QLSDBUSHPAJGED-CHWSQXEVSA-N 1 2 259.353 3.363 20 30 CGEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC001340011649 936395342 /nfs/dbraw/zinc/39/53/42/936395342.db2.gz AKUXFHAFKDVLHW-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC001340011649 936395344 /nfs/dbraw/zinc/39/53/44/936395344.db2.gz AKUXFHAFKDVLHW-LLVKDONJSA-N 1 2 287.190 3.165 20 30 CGEDLO C[C@H]1CCC(C)(C)CC1=NNCCCn1cc[nH+]c1 ZINC001353067266 937056953 /nfs/dbraw/zinc/05/69/53/937056953.db2.gz GHBDHCZYNCCVMO-ZDUSSCGKSA-N 1 2 262.401 3.065 20 30 CGEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001498397530 927140996 /nfs/dbraw/zinc/14/09/96/927140996.db2.gz FXZOHESPIDSCAL-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001498397530 927141002 /nfs/dbraw/zinc/14/10/02/927141002.db2.gz FXZOHESPIDSCAL-KBPBESRZSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)CCCCC)C1 ZINC001483891623 927643083 /nfs/dbraw/zinc/64/30/83/927643083.db2.gz LWGVGKDNEFDNCS-UHFFFAOYSA-N 1 2 280.456 3.312 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@@H+]1CCCC[C@@H]1C#N)CC2 ZINC001172830703 928225084 /nfs/dbraw/zinc/22/50/84/928225084.db2.gz JSBBNMOVRNLUJQ-IAGOWNOFSA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([N@H+]1CCCC[C@@H]1C#N)CC2 ZINC001172830703 928225095 /nfs/dbraw/zinc/22/50/95/928225095.db2.gz JSBBNMOVRNLUJQ-IAGOWNOFSA-N 1 2 254.377 3.230 20 30 CGEDLO N#C[C@@H]1CC=C(Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC001212861429 928650481 /nfs/dbraw/zinc/65/04/81/928650481.db2.gz SREWBUMMEJILKF-CYBMUJFWSA-N 1 2 264.332 3.492 20 30 CGEDLO CCCCCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC001460310350 937525885 /nfs/dbraw/zinc/52/58/85/937525885.db2.gz PUCDLIVDZSWHBU-MRXNPFEDSA-N 1 2 277.408 3.331 20 30 CGEDLO Cc1cc(C#N)ccc1OC1C[NH+](Cc2ccccc2)C1 ZINC001230677919 932608059 /nfs/dbraw/zinc/60/80/59/932608059.db2.gz FKBOGPGRRZZNKJ-UHFFFAOYSA-N 1 2 278.355 3.130 20 30 CGEDLO C[C@@H](CC(C)(C)S)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922005 932643189 /nfs/dbraw/zinc/64/31/89/932643189.db2.gz XCULLKJAGHUJEP-JTQLQIEISA-N 1 2 279.405 3.233 20 30 CGEDLO C=C1O[C@H](CC)C(=O)C1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080282 932674988 /nfs/dbraw/zinc/67/49/88/932674988.db2.gz BBPNAFJIHZEIRJ-CYBMUJFWSA-N 1 2 284.315 3.065 20 30 CGEDLO N#C[C@H]1CC[C@@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001231083775 932675993 /nfs/dbraw/zinc/67/59/93/932675993.db2.gz ORJFPYKFJJODGS-SMDDNHRTSA-N 1 2 253.305 3.148 20 30 CGEDLO C#Cc1ccc(C[NH+]2CC(OCCCCC)C2)cc1 ZINC001462316908 937632037 /nfs/dbraw/zinc/63/20/37/937632037.db2.gz SHSSNMCUZXMANJ-UHFFFAOYSA-N 1 2 257.377 3.059 20 30 CGEDLO Oc1cccc2c1CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001307980915 933028657 /nfs/dbraw/zinc/02/86/57/933028657.db2.gz MCAGJAVCJRCLTM-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO Oc1cccc2c1CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001307980915 933028662 /nfs/dbraw/zinc/02/86/62/933028662.db2.gz MCAGJAVCJRCLTM-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001317753574 933643371 /nfs/dbraw/zinc/64/33/71/933643371.db2.gz KPZWGRIOVPJUJR-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001317753574 933643374 /nfs/dbraw/zinc/64/33/74/933643374.db2.gz KPZWGRIOVPJUJR-JSGCOSHPSA-N 1 2 286.847 3.098 20 30 CGEDLO Cc1cc(C)c(CNC(=O)Nc2cc(F)cc(C#N)c2)c[nH+]1 ZINC001467152729 937715576 /nfs/dbraw/zinc/71/55/76/937715576.db2.gz TVYZNILBOSGJDT-UHFFFAOYSA-N 1 2 298.321 3.031 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](CC(C)C)C2)c1=S ZINC001319609822 933899824 /nfs/dbraw/zinc/89/98/24/933899824.db2.gz UEGJOEMSJCEEMN-CQSZACIVSA-N 1 2 294.468 3.316 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](CC(C)C)C2)c1=S ZINC001319609822 933899828 /nfs/dbraw/zinc/89/98/28/933899828.db2.gz UEGJOEMSJCEEMN-CQSZACIVSA-N 1 2 294.468 3.316 20 30 CGEDLO CC(=NOC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001319685699 933914870 /nfs/dbraw/zinc/91/48/70/933914870.db2.gz YIEMCHUJLGXTHS-MRXNPFEDSA-N 1 2 290.407 3.078 20 30 CGEDLO CC(=NOC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001319685699 933914879 /nfs/dbraw/zinc/91/48/79/933914879.db2.gz YIEMCHUJLGXTHS-MRXNPFEDSA-N 1 2 290.407 3.078 20 30 CGEDLO Cc1cc(NCc2ccccc2-n2cc[nH+]c2)ncc1C#N ZINC001472745922 937782423 /nfs/dbraw/zinc/78/24/23/937782423.db2.gz CPIAMAZSFVUNPS-UHFFFAOYSA-N 1 2 289.342 3.060 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1ccc(C)cc1)C(=O)OCC ZINC001326380538 934976247 /nfs/dbraw/zinc/97/62/47/934976247.db2.gz IBZSJXHWYQGRJO-DOTOQJQBSA-N 1 2 289.419 3.414 20 30 CGEDLO Cc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)s1 ZINC001328992259 935177583 /nfs/dbraw/zinc/17/75/83/935177583.db2.gz IFFWIPUFHXSBDB-UHFFFAOYSA-N 1 2 297.427 3.384 20 30 CGEDLO Cc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)s1 ZINC001328992259 935177586 /nfs/dbraw/zinc/17/75/86/935177586.db2.gz IFFWIPUFHXSBDB-UHFFFAOYSA-N 1 2 297.427 3.384 20 30 CGEDLO C#C[C@@H](Nc1cc(C)[nH+]c(CC)n1)c1ccccc1 ZINC001332091789 935438287 /nfs/dbraw/zinc/43/82/87/935438287.db2.gz XFOWQBULJOXOAW-CQSZACIVSA-N 1 2 251.333 3.134 20 30 CGEDLO COc1cccc2c1C/C(=C\c1c[nH+]cn1C(C)C)C2=O ZINC001334767414 936113059 /nfs/dbraw/zinc/11/30/59/936113059.db2.gz IACGEMSQOSVTQZ-KPKJPENVSA-N 1 2 282.343 3.295 20 30 CGEDLO CC(C)(C)c1cn(CCOc2ccc(C#N)cc2)c[nH+]1 ZINC001335488999 936148574 /nfs/dbraw/zinc/14/85/74/936148574.db2.gz DBTADAJTVCVMCR-UHFFFAOYSA-N 1 2 269.348 3.131 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cc(C)ns1)c1ccc(F)cc1 ZINC001474544710 937865858 /nfs/dbraw/zinc/86/58/58/937865858.db2.gz UGTBASFIQGQNKI-CQSZACIVSA-N 1 2 260.337 3.055 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[C@H](C)CC)C1 ZINC001494292292 937953982 /nfs/dbraw/zinc/95/39/82/937953982.db2.gz SPQIHINSKZRMRV-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H](C)CC)C1 ZINC001494292292 937953983 /nfs/dbraw/zinc/95/39/83/937953983.db2.gz SPQIHINSKZRMRV-TZMCWYRMSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001505918132 937987861 /nfs/dbraw/zinc/98/78/61/937987861.db2.gz GMNOFFSHAAXACB-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001505918132 937987862 /nfs/dbraw/zinc/98/78/62/937987862.db2.gz GMNOFFSHAAXACB-UONOGXRCSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1sc(N(C)C)nc1Cl ZINC001560794934 938276478 /nfs/dbraw/zinc/27/64/78/938276478.db2.gz ITGGSMKOYJXOAI-JTQLQIEISA-N 1 2 285.844 3.403 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1sc(N(C)C)nc1Cl ZINC001560794934 938276479 /nfs/dbraw/zinc/27/64/79/938276479.db2.gz ITGGSMKOYJXOAI-JTQLQIEISA-N 1 2 285.844 3.403 20 30 CGEDLO C=CCC1(O)C[NH+](Cc2ccc(OC)c(C(C)(C)C)c2)C1 ZINC001561049360 938291952 /nfs/dbraw/zinc/29/19/52/938291952.db2.gz SSJIGXGRHYQSJF-UHFFFAOYSA-N 1 2 289.419 3.116 20 30 CGEDLO N#Cc1cc(Nc2[nH+]cccc2N2CCCC2)ccc1F ZINC001176614518 957883660 /nfs/dbraw/zinc/88/36/60/957883660.db2.gz LKZLFQVRAVJPTL-UHFFFAOYSA-N 1 2 282.322 3.436 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1[nH]nc2cc(Cl)ccc21 ZINC001238000790 960411668 /nfs/dbraw/zinc/41/16/68/960411668.db2.gz PAHDCFWKOMADDU-UHFFFAOYSA-N 1 2 276.771 3.342 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1[nH]nc2cc(Cl)ccc21 ZINC001238000790 960411678 /nfs/dbraw/zinc/41/16/78/960411678.db2.gz PAHDCFWKOMADDU-UHFFFAOYSA-N 1 2 276.771 3.342 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)CCC ZINC001566918177 961062631 /nfs/dbraw/zinc/06/26/31/961062631.db2.gz LQROKUTWNLKDAE-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)CCC ZINC001566918177 961062649 /nfs/dbraw/zinc/06/26/49/961062649.db2.gz LQROKUTWNLKDAE-OCCSQVGLSA-N 1 2 286.847 3.146 20 30 CGEDLO N#Cc1cc(Cl)ccc1NC(=O)c1cccc2[nH+]ccn21 ZINC001587283594 963180557 /nfs/dbraw/zinc/18/05/57/963180557.db2.gz SXOIFSCVZWNRAO-UHFFFAOYSA-N 1 2 296.717 3.112 20 30 CGEDLO Cc1ccc[nH+]c1CCCNc1ccc(C#N)c(C)n1 ZINC000294984261 199284501 /nfs/dbraw/zinc/28/45/01/199284501.db2.gz MHLZHMZNHXMOQA-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592058102 346958005 /nfs/dbraw/zinc/95/80/05/346958005.db2.gz APWLNAMHMBZYOR-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592058102 346958006 /nfs/dbraw/zinc/95/80/06/346958006.db2.gz APWLNAMHMBZYOR-LLVKDONJSA-N 1 2 287.313 3.424 20 30 CGEDLO CC[N@H+](Cc1cccs1)Cc1ccncc1C#N ZINC000592059168 346958064 /nfs/dbraw/zinc/95/80/64/346958064.db2.gz PGLUGMPVUYDYGY-UHFFFAOYSA-N 1 2 257.362 3.037 20 30 CGEDLO CC[N@@H+](Cc1cccs1)Cc1ccncc1C#N ZINC000592059168 346958065 /nfs/dbraw/zinc/95/80/65/346958065.db2.gz PGLUGMPVUYDYGY-UHFFFAOYSA-N 1 2 257.362 3.037 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000592507523 346994772 /nfs/dbraw/zinc/99/47/72/346994772.db2.gz OAPXCBPKYUZPII-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000592507523 346994775 /nfs/dbraw/zinc/99/47/75/346994775.db2.gz OAPXCBPKYUZPII-SFHVURJKSA-N 1 2 294.402 3.306 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000353674505 282340220 /nfs/dbraw/zinc/34/02/20/282340220.db2.gz FGQYQKZXDLAQFE-XPTSAGLGSA-N 1 2 284.388 3.056 20 30 CGEDLO C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000157732981 530000046 /nfs/dbraw/zinc/00/00/46/530000046.db2.gz PWARWYKUEFMIQD-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000157732981 530000049 /nfs/dbraw/zinc/00/00/49/530000049.db2.gz PWARWYKUEFMIQD-UHFFFAOYSA-N 1 2 254.308 3.329 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029538101 344918520 /nfs/dbraw/zinc/91/85/20/344918520.db2.gz OWZGDCQQSFOMMJ-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000029538101 344918522 /nfs/dbraw/zinc/91/85/22/344918522.db2.gz OWZGDCQQSFOMMJ-SFHVURJKSA-N 1 2 296.345 3.271 20 30 CGEDLO COCC[N@@H+](CCC#N)CCOc1ccc2ccccc2c1 ZINC000072688816 345416031 /nfs/dbraw/zinc/41/60/31/345416031.db2.gz YSMIKTMUUFAXCK-UHFFFAOYSA-N 1 2 298.386 3.081 20 30 CGEDLO COCC[N@H+](CCC#N)CCOc1ccc2ccccc2c1 ZINC000072688816 345416032 /nfs/dbraw/zinc/41/60/32/345416032.db2.gz YSMIKTMUUFAXCK-UHFFFAOYSA-N 1 2 298.386 3.081 20 30 CGEDLO C#CC[N@@H+](CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000077272059 345565808 /nfs/dbraw/zinc/56/58/08/345565808.db2.gz UNFDLYVLTXCBOB-UHFFFAOYSA-N 1 2 259.246 3.213 20 30 CGEDLO C#CC[N@H+](CCC(F)(F)F)Cc1ccc(F)cc1 ZINC000077272059 345565811 /nfs/dbraw/zinc/56/58/11/345565811.db2.gz UNFDLYVLTXCBOB-UHFFFAOYSA-N 1 2 259.246 3.213 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)c2ccccc12 ZINC000093100255 345868855 /nfs/dbraw/zinc/86/88/55/345868855.db2.gz NTQHCXTYHVNJHW-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)c2ccccc12 ZINC000093100255 345868859 /nfs/dbraw/zinc/86/88/59/345868859.db2.gz NTQHCXTYHVNJHW-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO N#CC[N@H+](CCCOCCc1ccccc1)C1CCCC1 ZINC000151124827 346135847 /nfs/dbraw/zinc/13/58/47/346135847.db2.gz PFBBMVUUOIXCQT-UHFFFAOYSA-N 1 2 286.419 3.404 20 30 CGEDLO N#CC[N@@H+](CCCOCCc1ccccc1)C1CCCC1 ZINC000151124827 346135850 /nfs/dbraw/zinc/13/58/50/346135850.db2.gz PFBBMVUUOIXCQT-UHFFFAOYSA-N 1 2 286.419 3.404 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000403847388 346598321 /nfs/dbraw/zinc/59/83/21/346598321.db2.gz VJNLMTHNUKJECP-CVEARBPZSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000403847388 346598322 /nfs/dbraw/zinc/59/83/22/346598322.db2.gz VJNLMTHNUKJECP-CVEARBPZSA-N 1 2 276.355 3.087 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000588301791 346759097 /nfs/dbraw/zinc/75/90/97/346759097.db2.gz QGYWWBMCALXTRD-LBPRGKRZSA-N 1 2 294.358 3.453 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)CCCCCC#N)cc2[nH+]1 ZINC000588156443 346751624 /nfs/dbraw/zinc/75/16/24/346751624.db2.gz LUICTFSCFNMZKA-UHFFFAOYSA-N 1 2 270.336 3.284 20 30 CGEDLO COCc1cc[nH+]c(N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000593724621 347108781 /nfs/dbraw/zinc/10/87/81/347108781.db2.gz DDBUQQARPRQRHG-LLVKDONJSA-N 1 2 285.322 3.412 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000594011811 347136577 /nfs/dbraw/zinc/13/65/77/347136577.db2.gz WNNBBCWQEDZFJI-JTQLQIEISA-N 1 2 278.306 3.213 20 30 CGEDLO CCOC(=O)[C@H]([NH2+]CCC(C)(C)C#N)C1CCCCCC1 ZINC000594046390 347144047 /nfs/dbraw/zinc/14/40/47/347144047.db2.gz GRMGYTMDFKWHEO-OAHLLOKOSA-N 1 2 294.439 3.418 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)o1 ZINC000594971432 347246518 /nfs/dbraw/zinc/24/65/18/347246518.db2.gz KOBLRLZMWMZLNO-UHFFFAOYSA-N 1 2 286.306 3.121 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329077 347292633 /nfs/dbraw/zinc/29/26/33/347292633.db2.gz MHPRQSQKAQCVLJ-UHFFFAOYSA-N 1 2 293.342 3.496 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329077 347292636 /nfs/dbraw/zinc/29/26/36/347292636.db2.gz MHPRQSQKAQCVLJ-UHFFFAOYSA-N 1 2 293.342 3.496 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC)ns1 ZINC000595346451 347294720 /nfs/dbraw/zinc/29/47/20/347294720.db2.gz IXBCNXBYBZRHOH-UHFFFAOYSA-N 1 2 281.425 3.304 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)ns1 ZINC000595346451 347294723 /nfs/dbraw/zinc/29/47/23/347294723.db2.gz IXBCNXBYBZRHOH-UHFFFAOYSA-N 1 2 281.425 3.304 20 30 CGEDLO COC(=O)c1coc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595091676 347280994 /nfs/dbraw/zinc/28/09/94/347280994.db2.gz TVHDRVHKWSEZIS-GFCCVEGCSA-N 1 2 290.363 3.191 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595612186 347327390 /nfs/dbraw/zinc/32/73/90/347327390.db2.gz SUUQSWSPNZQVBZ-CHWSQXEVSA-N 1 2 276.384 3.099 20 30 CGEDLO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595612186 347327395 /nfs/dbraw/zinc/32/73/95/347327395.db2.gz SUUQSWSPNZQVBZ-CHWSQXEVSA-N 1 2 276.384 3.099 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000595616556 347328556 /nfs/dbraw/zinc/32/85/56/347328556.db2.gz UVCQDRFADBIJAS-NSHDSACASA-N 1 2 273.311 3.093 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000595616556 347328559 /nfs/dbraw/zinc/32/85/59/347328559.db2.gz UVCQDRFADBIJAS-NSHDSACASA-N 1 2 273.311 3.093 20 30 CGEDLO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)c1 ZINC000595617165 347328627 /nfs/dbraw/zinc/32/86/27/347328627.db2.gz VUFBPXHAVGSICM-INIZCTEOSA-N 1 2 299.418 3.176 20 30 CGEDLO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1 ZINC000595617165 347328628 /nfs/dbraw/zinc/32/86/28/347328628.db2.gz VUFBPXHAVGSICM-INIZCTEOSA-N 1 2 299.418 3.176 20 30 CGEDLO CCc1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595635397 347331369 /nfs/dbraw/zinc/33/13/69/347331369.db2.gz JUCIRGJUPXSMCB-UHFFFAOYSA-N 1 2 269.348 3.134 20 30 CGEDLO N#CC1(C[N@H+](Cc2ccccc2F)CC2CC2)CC1 ZINC000595767697 347353323 /nfs/dbraw/zinc/35/33/23/347353323.db2.gz SEEHKVPMNQWWRY-UHFFFAOYSA-N 1 2 258.340 3.341 20 30 CGEDLO N#CC1(C[N@@H+](Cc2ccccc2F)CC2CC2)CC1 ZINC000595767697 347353326 /nfs/dbraw/zinc/35/33/26/347353326.db2.gz SEEHKVPMNQWWRY-UHFFFAOYSA-N 1 2 258.340 3.341 20 30 CGEDLO COCC[C@@H]1CCCC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595442409 347304549 /nfs/dbraw/zinc/30/45/49/347304549.db2.gz QYLAXKUZWJWDCL-DOTOQJQBSA-N 1 2 272.392 3.390 20 30 CGEDLO COCC[C@@H]1CCCC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595442409 347304550 /nfs/dbraw/zinc/30/45/50/347304550.db2.gz QYLAXKUZWJWDCL-DOTOQJQBSA-N 1 2 272.392 3.390 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCSc2ccccc2F)C1 ZINC000595835915 347363316 /nfs/dbraw/zinc/36/33/16/347363316.db2.gz VGNWUUONURBNBL-CQSZACIVSA-N 1 2 264.369 3.153 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCSc2ccccc2F)C1 ZINC000595835915 347363319 /nfs/dbraw/zinc/36/33/19/347363319.db2.gz VGNWUUONURBNBL-CQSZACIVSA-N 1 2 264.369 3.153 20 30 CGEDLO Cc1cc(Br)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844814 347367272 /nfs/dbraw/zinc/36/72/72/347367272.db2.gz WCLHMNQTGFEHKR-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1cc(Br)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844814 347367274 /nfs/dbraw/zinc/36/72/74/347367274.db2.gz WCLHMNQTGFEHKR-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597230929 347558411 /nfs/dbraw/zinc/55/84/11/347558411.db2.gz VALRTWDCGCTJAS-KRWDZBQOSA-N 1 2 287.382 3.161 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597230929 347558416 /nfs/dbraw/zinc/55/84/16/347558416.db2.gz VALRTWDCGCTJAS-KRWDZBQOSA-N 1 2 287.382 3.161 20 30 CGEDLO N#CC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098287 347716732 /nfs/dbraw/zinc/71/67/32/347716732.db2.gz HEYUTUKSFUSWMX-GFCCVEGCSA-N 1 2 296.330 3.273 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1C#N ZINC000599415297 347742940 /nfs/dbraw/zinc/74/29/40/347742940.db2.gz MVJJCIOCHZQPGO-QGZVFWFLSA-N 1 2 280.375 3.317 20 30 CGEDLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1C#N ZINC000599415297 347742942 /nfs/dbraw/zinc/74/29/42/347742942.db2.gz MVJJCIOCHZQPGO-QGZVFWFLSA-N 1 2 280.375 3.317 20 30 CGEDLO COCCCCNc1ccc(-c2ccc(F)c(C#N)c2)c[nH+]1 ZINC000600781913 347834959 /nfs/dbraw/zinc/83/49/59/347834959.db2.gz IUBNHCHDBXZCPZ-UHFFFAOYSA-N 1 2 299.349 3.020 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000601929527 347925139 /nfs/dbraw/zinc/92/51/39/347925139.db2.gz LKAKAICQSPLBOH-SECBINFHSA-N 1 2 287.310 3.300 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602436890 347958342 /nfs/dbraw/zinc/95/83/42/347958342.db2.gz OLUCHQYTBHBECU-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602436890 347958344 /nfs/dbraw/zinc/95/83/44/347958344.db2.gz OLUCHQYTBHBECU-NSHDSACASA-N 1 2 269.373 3.134 20 30 CGEDLO N#CC1(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CCCC1 ZINC000602698345 348012138 /nfs/dbraw/zinc/01/21/38/348012138.db2.gz HHCYGDLSZDCMKH-CQSZACIVSA-N 1 2 287.411 3.100 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](CC)Cc1cccs1)C(=O)OC ZINC000602732325 348021013 /nfs/dbraw/zinc/02/10/13/348021013.db2.gz ARMSUCOYJHROIA-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO Cc1cc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c(C)n1 ZINC000602802519 348031031 /nfs/dbraw/zinc/03/10/31/348031031.db2.gz VEUOJLWBOGNQEB-LLVKDONJSA-N 1 2 257.381 3.131 20 30 CGEDLO Cc1cc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)c(C)n1 ZINC000602802519 348031035 /nfs/dbraw/zinc/03/10/35/348031035.db2.gz VEUOJLWBOGNQEB-LLVKDONJSA-N 1 2 257.381 3.131 20 30 CGEDLO CCC(F)(F)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000602808120 348032125 /nfs/dbraw/zinc/03/21/25/348032125.db2.gz XEZWWIURVGWQKO-UHFFFAOYSA-N 1 2 250.292 3.182 20 30 CGEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602863117 348038410 /nfs/dbraw/zinc/03/84/10/348038410.db2.gz NYGJJYYDOSUBRO-CHWSQXEVSA-N 1 2 287.407 3.030 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602869664 348038902 /nfs/dbraw/zinc/03/89/02/348038902.db2.gz HBICKCJXLNBDHU-QMMMGPOBSA-N 1 2 287.241 3.005 20 30 CGEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602975694 348048679 /nfs/dbraw/zinc/04/86/79/348048679.db2.gz GCVDFEOBOUXHAM-IRXDYDNUSA-N 1 2 294.402 3.055 20 30 CGEDLO C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602977005 348049438 /nfs/dbraw/zinc/04/94/38/348049438.db2.gz WJNUUIZDHFOYME-DGCLKSJQSA-N 1 2 292.766 3.193 20 30 CGEDLO C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602977005 348049439 /nfs/dbraw/zinc/04/94/39/348049439.db2.gz WJNUUIZDHFOYME-DGCLKSJQSA-N 1 2 292.766 3.193 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602979593 348050104 /nfs/dbraw/zinc/05/01/04/348050104.db2.gz GGSATPDRXFFUNN-SWLSCSKDSA-N 1 2 273.767 3.336 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602979593 348050107 /nfs/dbraw/zinc/05/01/07/348050107.db2.gz GGSATPDRXFFUNN-SWLSCSKDSA-N 1 2 273.767 3.336 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000607727850 348258247 /nfs/dbraw/zinc/25/82/47/348258247.db2.gz UIRHWYQPVMMAJZ-LLVKDONJSA-N 1 2 266.182 3.465 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000607727850 348258249 /nfs/dbraw/zinc/25/82/49/348258249.db2.gz UIRHWYQPVMMAJZ-LLVKDONJSA-N 1 2 266.182 3.465 20 30 CGEDLO CCC[N@@H+](Cc1ccccc1F)C[C@H](C#N)CCC#N ZINC000609575003 348347481 /nfs/dbraw/zinc/34/74/81/348347481.db2.gz RMRIGBDGGGIZCQ-AWEZNQCLSA-N 1 2 273.355 3.481 20 30 CGEDLO CCC[N@H+](Cc1ccccc1F)C[C@H](C#N)CCC#N ZINC000609575003 348347483 /nfs/dbraw/zinc/34/74/83/348347483.db2.gz RMRIGBDGGGIZCQ-AWEZNQCLSA-N 1 2 273.355 3.481 20 30 CGEDLO Cc1cc(N[C@@H](C)c2cccc(C#N)c2)nc(C2CC2)[nH+]1 ZINC000610340408 348375662 /nfs/dbraw/zinc/37/56/62/348375662.db2.gz STRXZSCQRXWXRO-LBPRGKRZSA-N 1 2 278.359 3.129 20 30 CGEDLO C[N@H+](Cc1nc2c(s1)CCC2)Cc1cccc(C#N)c1 ZINC000611410613 348448239 /nfs/dbraw/zinc/44/82/39/348448239.db2.gz PFKYOPKWMWZEAY-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO C[N@@H+](Cc1nc2c(s1)CCC2)Cc1cccc(C#N)c1 ZINC000611410613 348448242 /nfs/dbraw/zinc/44/82/42/348448242.db2.gz PFKYOPKWMWZEAY-UHFFFAOYSA-N 1 2 283.400 3.135 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](CCc2cccc(F)c2F)C1 ZINC000612158222 348497922 /nfs/dbraw/zinc/49/79/22/348497922.db2.gz INFWUHVSUIWOMN-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2cccc(F)c2F)C1 ZINC000612158222 348497923 /nfs/dbraw/zinc/49/79/23/348497923.db2.gz INFWUHVSUIWOMN-HNNXBMFYSA-N 1 2 264.319 3.133 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000612435201 348519441 /nfs/dbraw/zinc/51/94/41/348519441.db2.gz HXIBRMXNTIXWIP-VIFPVBQESA-N 1 2 263.391 3.263 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000614178508 348655871 /nfs/dbraw/zinc/65/58/71/348655871.db2.gz ILKQENQMOOBYJS-SNVBAGLBSA-N 1 2 270.710 3.299 20 30 CGEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000614178508 348655875 /nfs/dbraw/zinc/65/58/75/348655875.db2.gz ILKQENQMOOBYJS-SNVBAGLBSA-N 1 2 270.710 3.299 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@](F)(C#N)C2)C1 ZINC000615649808 348754892 /nfs/dbraw/zinc/75/48/92/348754892.db2.gz CRNSYVVOCLVNFE-IKGGRYGDSA-N 1 2 272.367 3.434 20 30 CGEDLO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@](F)(C#N)C2)C1 ZINC000615649808 348754896 /nfs/dbraw/zinc/75/48/96/348754896.db2.gz CRNSYVVOCLVNFE-IKGGRYGDSA-N 1 2 272.367 3.434 20 30 CGEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000617039678 348904252 /nfs/dbraw/zinc/90/42/52/348904252.db2.gz KDAGPJPFPJUZPO-DZGCQCFKSA-N 1 2 283.375 3.199 20 30 CGEDLO C=CCC(C)(C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619015936 349193854 /nfs/dbraw/zinc/19/38/54/349193854.db2.gz QHRIQDQYOSJGOO-UHFFFAOYSA-N 1 2 257.337 3.184 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1cccc2ccccc21 ZINC000619717293 349278274 /nfs/dbraw/zinc/27/82/74/349278274.db2.gz WZHIYWBEAMPTGY-KRWDZBQOSA-N 1 2 283.371 3.042 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1cccc2ccccc21 ZINC000619717293 349278279 /nfs/dbraw/zinc/27/82/79/349278279.db2.gz WZHIYWBEAMPTGY-KRWDZBQOSA-N 1 2 283.371 3.042 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000620308952 349354829 /nfs/dbraw/zinc/35/48/29/349354829.db2.gz HMGCQOHFUBNXLE-GASCZTMLSA-N 1 2 295.386 3.054 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+](Cc2ncc(Br)s2)C1 ZINC000625704455 350200568 /nfs/dbraw/zinc/20/05/68/350200568.db2.gz XZHFEVZMDXFBAJ-SECBINFHSA-N 1 2 287.226 3.304 20 30 CGEDLO C=CC[C@@H]1CC[N@H+](Cc2ncc(Br)s2)C1 ZINC000625704455 350200572 /nfs/dbraw/zinc/20/05/72/350200572.db2.gz XZHFEVZMDXFBAJ-SECBINFHSA-N 1 2 287.226 3.304 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000271393016 191113800 /nfs/dbraw/zinc/11/38/00/191113800.db2.gz KFTMDIWUOHPJIC-UHFFFAOYSA-N 1 2 273.311 3.026 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000271393016 191113802 /nfs/dbraw/zinc/11/38/02/191113802.db2.gz KFTMDIWUOHPJIC-UHFFFAOYSA-N 1 2 273.311 3.026 20 30 CGEDLO C=C1CC(C)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000630765350 350884494 /nfs/dbraw/zinc/88/44/94/350884494.db2.gz QBTHZZSBUJQUEI-UHFFFAOYSA-N 1 2 299.418 3.044 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000630788001 350887588 /nfs/dbraw/zinc/88/75/88/350887588.db2.gz DRFGPKUWWQWHTL-UHFFFAOYSA-N 1 2 285.322 3.306 20 30 CGEDLO FC(F)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000634756952 351584626 /nfs/dbraw/zinc/58/46/26/351584626.db2.gz ICUMPCKKLZRXOG-CQSZACIVSA-N 1 2 299.748 3.048 20 30 CGEDLO FC(F)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)CCO1 ZINC000634756952 351584630 /nfs/dbraw/zinc/58/46/30/351584630.db2.gz ICUMPCKKLZRXOG-CQSZACIVSA-N 1 2 299.748 3.048 20 30 CGEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC000636172217 351728045 /nfs/dbraw/zinc/72/80/45/351728045.db2.gz WBMHUIMSYLOTTF-HZPDHXFCSA-N 1 2 289.423 3.285 20 30 CGEDLO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000291660905 198054321 /nfs/dbraw/zinc/05/43/21/198054321.db2.gz FDHFBSSWQJSIQZ-UHFFFAOYSA-N 1 2 287.338 3.236 20 30 CGEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(F)(F)F)c(C#N)c1 ZINC000128759435 138394929 /nfs/dbraw/zinc/39/49/29/138394929.db2.gz CMSPGLRCAZZZDW-SNVBAGLBSA-N 1 2 294.280 3.274 20 30 CGEDLO Cc1cc(N(C)CCCc2ccccc2)c(C#N)c[nH+]1 ZINC000425210713 236220635 /nfs/dbraw/zinc/22/06/35/236220635.db2.gz VIEIBFATMJPXSG-UHFFFAOYSA-N 1 2 265.360 3.331 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(COc3ccccc3)C2)c(F)c1 ZINC000297321736 200147795 /nfs/dbraw/zinc/14/77/95/200147795.db2.gz DCYMCUASFXJIRB-UHFFFAOYSA-N 1 2 296.345 3.208 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC000439442846 238255438 /nfs/dbraw/zinc/25/54/38/238255438.db2.gz SJZQTTNRISSPSI-UHFFFAOYSA-N 1 2 289.791 3.226 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC000439442846 238255441 /nfs/dbraw/zinc/25/54/41/238255441.db2.gz SJZQTTNRISSPSI-UHFFFAOYSA-N 1 2 289.791 3.226 20 30 CGEDLO CCCC[N@H+](C)c1ccc(Nc2ccc(C#N)nn2)cc1 ZINC000301962629 201279156 /nfs/dbraw/zinc/27/91/56/201279156.db2.gz IRECUBHUIIAAJV-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO CCCC[N@@H+](C)c1ccc(Nc2ccc(C#N)nn2)cc1 ZINC000301962629 201279159 /nfs/dbraw/zinc/27/91/59/201279159.db2.gz IRECUBHUIIAAJV-UHFFFAOYSA-N 1 2 281.363 3.328 20 30 CGEDLO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000119979525 370727955 /nfs/dbraw/zinc/72/79/55/370727955.db2.gz SQUDSODKHHMSNM-GXTWGEPZSA-N 1 2 278.421 3.450 20 30 CGEDLO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000119979525 370727958 /nfs/dbraw/zinc/72/79/58/370727958.db2.gz SQUDSODKHHMSNM-GXTWGEPZSA-N 1 2 278.421 3.450 20 30 CGEDLO Cn1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)cc1C#N ZINC000459695244 242183619 /nfs/dbraw/zinc/18/36/19/242183619.db2.gz HCDJSWIJIKWMDS-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO Cn1cc(C[N@H+]2CCc3cccc(Cl)c3C2)cc1C#N ZINC000459695244 242183622 /nfs/dbraw/zinc/18/36/22/242183622.db2.gz HCDJSWIJIKWMDS-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000121648828 370883910 /nfs/dbraw/zinc/88/39/10/370883910.db2.gz PXKQBHNCUHKIHP-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000121648828 370883917 /nfs/dbraw/zinc/88/39/17/370883917.db2.gz PXKQBHNCUHKIHP-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO Cn1cc[nH+]c1CNc1ccccc1SCCC#N ZINC000124425601 370924466 /nfs/dbraw/zinc/92/44/66/370924466.db2.gz BSPXILGJEIOQLM-UHFFFAOYSA-N 1 2 272.377 3.038 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCSc1ccc(F)cc1 ZINC000123737466 370914805 /nfs/dbraw/zinc/91/48/05/370914805.db2.gz CFZAICWXZHBRJH-NSHDSACASA-N 1 2 252.358 3.152 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1ccc(F)cc1 ZINC000123737466 370914812 /nfs/dbraw/zinc/91/48/12/370914812.db2.gz CFZAICWXZHBRJH-NSHDSACASA-N 1 2 252.358 3.152 20 30 CGEDLO CSc1ccc(F)cc1C[NH2+]C[C@H](C#N)CCC#N ZINC000574335402 335011529 /nfs/dbraw/zinc/01/15/29/335011529.db2.gz JYPGRDHTTLPJHW-NSHDSACASA-N 1 2 277.368 3.081 20 30 CGEDLO CCC[N@H+](Cc1nc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000047740494 369326061 /nfs/dbraw/zinc/32/60/61/369326061.db2.gz VCFKYOZKANBVDM-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO CCC[N@@H+](Cc1nc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000047740494 369326069 /nfs/dbraw/zinc/32/60/69/369326069.db2.gz VCFKYOZKANBVDM-UHFFFAOYSA-N 1 2 296.374 3.231 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000127624549 370954121 /nfs/dbraw/zinc/95/41/21/370954121.db2.gz QMDWOWZHJHEODE-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccccc1OCc1ccccn1 ZINC000127624549 370954127 /nfs/dbraw/zinc/95/41/27/370954127.db2.gz QMDWOWZHJHEODE-UHFFFAOYSA-N 1 2 295.386 3.396 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)cc1OC(F)F)C[C@H](C)C#N ZINC000091982706 370083390 /nfs/dbraw/zinc/08/33/90/370083390.db2.gz CLZHYZUZKOUANE-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)cc1OC(F)F)C[C@H](C)C#N ZINC000091982706 370083394 /nfs/dbraw/zinc/08/33/94/370083394.db2.gz CLZHYZUZKOUANE-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CCn1nc(C)c(C[N@H+](CCC#N)CC(C)(C)C)c1C ZINC000093101164 370110007 /nfs/dbraw/zinc/11/00/07/370110007.db2.gz QZZCWVYMDGQSJP-UHFFFAOYSA-N 1 2 276.428 3.282 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](CCC#N)CC(C)(C)C)c1C ZINC000093101164 370110011 /nfs/dbraw/zinc/11/00/11/370110011.db2.gz QZZCWVYMDGQSJP-UHFFFAOYSA-N 1 2 276.428 3.282 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000093594744 370145110 /nfs/dbraw/zinc/14/51/10/370145110.db2.gz XJDBOBCMKAFYAZ-RDTXWAMCSA-N 1 2 296.370 3.422 20 30 CGEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000093594744 370145115 /nfs/dbraw/zinc/14/51/15/370145115.db2.gz XJDBOBCMKAFYAZ-RDTXWAMCSA-N 1 2 296.370 3.422 20 30 CGEDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C#N)s1 ZINC000131665934 371122397 /nfs/dbraw/zinc/12/23/97/371122397.db2.gz NHYBHBTUNHNOBM-UHFFFAOYSA-N 1 2 290.388 3.170 20 30 CGEDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C#N)s1 ZINC000131665934 371122402 /nfs/dbraw/zinc/12/24/02/371122402.db2.gz NHYBHBTUNHNOBM-UHFFFAOYSA-N 1 2 290.388 3.170 20 30 CGEDLO N#Cc1c(C[N@@H+]2CCc3ccsc3C2)cn2ccccc12 ZINC000132604216 371187511 /nfs/dbraw/zinc/18/75/11/371187511.db2.gz BICDRDWGKXGYCZ-UHFFFAOYSA-N 1 2 293.395 3.431 20 30 CGEDLO N#Cc1c(C[N@H+]2CCc3ccsc3C2)cn2ccccc12 ZINC000132604216 371187513 /nfs/dbraw/zinc/18/75/13/371187513.db2.gz BICDRDWGKXGYCZ-UHFFFAOYSA-N 1 2 293.395 3.431 20 30 CGEDLO Cc1ccc(C[C@H](C)/[NH+]=C/c2ccc(O)c(O)c2O)s1 ZINC000150936991 371551554 /nfs/dbraw/zinc/55/15/54/371551554.db2.gz LRYVORQRGFTEAL-VKPPLCHCSA-N 1 2 291.372 3.223 20 30 CGEDLO C=C(C)C[C@@H](C)c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000288991420 371748900 /nfs/dbraw/zinc/74/89/00/371748900.db2.gz JAQLFVNKUSRLOB-GFCCVEGCSA-N 1 2 295.346 3.387 20 30 CGEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000289682896 371792944 /nfs/dbraw/zinc/79/29/44/371792944.db2.gz HSERMNOYUFGQHK-JKSUJKDBSA-N 1 2 288.366 3.087 20 30 CGEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000289682896 371792949 /nfs/dbraw/zinc/79/29/49/371792949.db2.gz HSERMNOYUFGQHK-JKSUJKDBSA-N 1 2 288.366 3.087 20 30 CGEDLO C=C(C)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000154305367 371834864 /nfs/dbraw/zinc/83/48/64/371834864.db2.gz ATCPZARRSRKRRK-UHFFFAOYSA-N 1 2 268.316 3.180 20 30 CGEDLO C#CC[N@H+](Cc1noc(-c2ccccc2)n1)C1CCCC1 ZINC000155841768 371947642 /nfs/dbraw/zinc/94/76/42/371947642.db2.gz BNQAZDMVQYXGAM-UHFFFAOYSA-N 1 2 281.359 3.114 20 30 CGEDLO C#CC[N@@H+](Cc1noc(-c2ccccc2)n1)C1CCCC1 ZINC000155841768 371947647 /nfs/dbraw/zinc/94/76/47/371947647.db2.gz BNQAZDMVQYXGAM-UHFFFAOYSA-N 1 2 281.359 3.114 20 30 CGEDLO C=C(CC)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425317951 372120899 /nfs/dbraw/zinc/12/08/99/372120899.db2.gz SSWJOJCYCUDUBA-HNNXBMFYSA-N 1 2 283.375 3.014 20 30 CGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000292877738 372236659 /nfs/dbraw/zinc/23/66/59/372236659.db2.gz XGSWXDUPMAXTIC-CYBMUJFWSA-N 1 2 299.349 3.001 20 30 CGEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000292877738 372236667 /nfs/dbraw/zinc/23/66/67/372236667.db2.gz XGSWXDUPMAXTIC-CYBMUJFWSA-N 1 2 299.349 3.001 20 30 CGEDLO C=CCC(C)(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000292383700 372191134 /nfs/dbraw/zinc/19/11/34/372191134.db2.gz WPHNVTYDURJELI-UHFFFAOYSA-N 1 2 297.402 3.150 20 30 CGEDLO CC#CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428772371 372262213 /nfs/dbraw/zinc/26/22/13/372262213.db2.gz LZFVTULRWXULMT-IUODEOHRSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428772371 372262221 /nfs/dbraw/zinc/26/22/21/372262221.db2.gz LZFVTULRWXULMT-IUODEOHRSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000293043973 372287504 /nfs/dbraw/zinc/28/75/04/372287504.db2.gz HGPDQYSOHYKRMH-AWEZNQCLSA-N 1 2 272.392 3.092 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000293043973 372287509 /nfs/dbraw/zinc/28/75/09/372287509.db2.gz HGPDQYSOHYKRMH-AWEZNQCLSA-N 1 2 272.392 3.092 20 30 CGEDLO N#CC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCCC1 ZINC000162830353 372426058 /nfs/dbraw/zinc/42/60/58/372426058.db2.gz ZIRYSOZWXOVTEL-UHFFFAOYSA-N 1 2 294.358 3.489 20 30 CGEDLO C=C(C)CN(CC)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000432318375 372558939 /nfs/dbraw/zinc/55/89/39/372558939.db2.gz RBSDBMXKYKMWDK-CQSZACIVSA-N 1 2 274.412 3.115 20 30 CGEDLO C=C(C)CN(CC)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000432318375 372558946 /nfs/dbraw/zinc/55/89/46/372558946.db2.gz RBSDBMXKYKMWDK-CQSZACIVSA-N 1 2 274.412 3.115 20 30 CGEDLO C=CCOCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000433061027 372579268 /nfs/dbraw/zinc/57/92/68/372579268.db2.gz NRNDYMBDTAXWNZ-ZDUSSCGKSA-N 1 2 255.308 3.175 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C(C)C)o1 ZINC000171146323 372720816 /nfs/dbraw/zinc/72/08/16/372720816.db2.gz UXNBNMSQMOKITC-UHFFFAOYSA-N 1 2 285.391 3.424 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C(C)C)o1 ZINC000171146323 372720823 /nfs/dbraw/zinc/72/08/23/372720823.db2.gz UXNBNMSQMOKITC-UHFFFAOYSA-N 1 2 285.391 3.424 20 30 CGEDLO C=CC[N@@H+](Cc1conc1C)Cc1cccc(C#N)c1 ZINC000295446531 372786088 /nfs/dbraw/zinc/78/60/88/372786088.db2.gz UVPFYTFOWSQBJD-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO C=CC[N@H+](Cc1conc1C)Cc1cccc(C#N)c1 ZINC000295446531 372786096 /nfs/dbraw/zinc/78/60/96/372786096.db2.gz UVPFYTFOWSQBJD-UHFFFAOYSA-N 1 2 267.332 3.043 20 30 CGEDLO CC[C@H](C#N)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000435931736 372826458 /nfs/dbraw/zinc/82/64/58/372826458.db2.gz ZJSKWOUHIQADPV-NVXWUHKLSA-N 1 2 282.391 3.133 20 30 CGEDLO CC[C@]1(C)C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000442882821 373115991 /nfs/dbraw/zinc/11/59/91/373115991.db2.gz NEWGNGNUMBMLFU-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@]1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000442882821 373115995 /nfs/dbraw/zinc/11/59/95/373115995.db2.gz NEWGNGNUMBMLFU-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO N#CC1(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000450496673 374157503 /nfs/dbraw/zinc/15/75/03/374157503.db2.gz DGDOBYPPAKLWSE-UHFFFAOYSA-N 1 2 285.347 3.253 20 30 CGEDLO N#CC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000450496673 374157511 /nfs/dbraw/zinc/15/75/11/374157511.db2.gz DGDOBYPPAKLWSE-UHFFFAOYSA-N 1 2 285.347 3.253 20 30 CGEDLO Cc1nc(C(C)(C)[NH2+]CC2(C#N)CCC2)sc1C ZINC000450578927 374161898 /nfs/dbraw/zinc/16/18/98/374161898.db2.gz YAOGQQJMPFDVQR-UHFFFAOYSA-N 1 2 263.410 3.279 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000188951865 375298320 /nfs/dbraw/zinc/29/83/20/375298320.db2.gz KBLGLDJZBBEYPC-UHFFFAOYSA-N 1 2 293.317 3.413 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000188951865 375298326 /nfs/dbraw/zinc/29/83/26/375298326.db2.gz KBLGLDJZBBEYPC-UHFFFAOYSA-N 1 2 293.317 3.413 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000494655473 375490421 /nfs/dbraw/zinc/49/04/21/375490421.db2.gz KLCMQQGJQTWVRO-UHFFFAOYSA-N 1 2 261.756 3.144 20 30 CGEDLO C=CC[N@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000494655473 375490426 /nfs/dbraw/zinc/49/04/26/375490426.db2.gz KLCMQQGJQTWVRO-UHFFFAOYSA-N 1 2 261.756 3.144 20 30 CGEDLO CCOc1c(Cl)cccc1C[N@H+](C)C[C@H](C)C#N ZINC000495173572 375498320 /nfs/dbraw/zinc/49/83/20/375498320.db2.gz LMCFRUFCUAQHGI-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CCOc1c(Cl)cccc1C[N@@H+](C)C[C@H](C)C#N ZINC000495173572 375498325 /nfs/dbraw/zinc/49/83/25/375498325.db2.gz LMCFRUFCUAQHGI-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccco2)n1 ZINC000191759627 375659368 /nfs/dbraw/zinc/65/93/68/375659368.db2.gz FENAPYVSRDKQCY-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccco2)n1 ZINC000191759627 375659371 /nfs/dbraw/zinc/65/93/71/375659371.db2.gz FENAPYVSRDKQCY-UHFFFAOYSA-N 1 2 278.377 3.038 20 30 CGEDLO CC(C)[C@H]1[N@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336114524 375694344 /nfs/dbraw/zinc/69/43/44/375694344.db2.gz GOEAGLGHQJGEPK-CYBMUJFWSA-N 1 2 261.394 3.025 20 30 CGEDLO CC(C)[C@H]1[N@@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336114524 375694352 /nfs/dbraw/zinc/69/43/52/375694352.db2.gz GOEAGLGHQJGEPK-CYBMUJFWSA-N 1 2 261.394 3.025 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000192259852 375721292 /nfs/dbraw/zinc/72/12/92/375721292.db2.gz USTWZFXLQGYECE-OAHLLOKOSA-N 1 2 291.439 3.286 20 30 CGEDLO C=CCC[NH2+][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000512260041 375796779 /nfs/dbraw/zinc/79/67/79/375796779.db2.gz KLDGKVIWVIEWON-OAHLLOKOSA-N 1 2 281.783 3.284 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2cc(C)ccc2s1 ZINC000528518161 375903764 /nfs/dbraw/zinc/90/37/64/375903764.db2.gz GMAMGSUGJXZQES-LLVKDONJSA-N 1 2 259.378 3.387 20 30 CGEDLO C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000532579323 375952433 /nfs/dbraw/zinc/95/24/33/375952433.db2.gz MYFLLLMPXRPBNP-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C=CCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Cl)c1 ZINC000532579323 375952440 /nfs/dbraw/zinc/95/24/40/375952440.db2.gz MYFLLLMPXRPBNP-AWEZNQCLSA-N 1 2 281.783 3.452 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529524962 375928107 /nfs/dbraw/zinc/92/81/07/375928107.db2.gz MQEZXKPKRFXACJ-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529524962 375928112 /nfs/dbraw/zinc/92/81/12/375928112.db2.gz MQEZXKPKRFXACJ-MRVPVSSYSA-N 1 2 262.300 3.358 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000195435515 376101643 /nfs/dbraw/zinc/10/16/43/376101643.db2.gz NQHLQAIBXJYJQC-UONOGXRCSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)C#N ZINC000195435515 376101650 /nfs/dbraw/zinc/10/16/50/376101650.db2.gz NQHLQAIBXJYJQC-UONOGXRCSA-N 1 2 287.407 3.058 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)o1 ZINC000223518458 376255230 /nfs/dbraw/zinc/25/52/30/376255230.db2.gz GTWJOEKQCAXWQX-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)o1 ZINC000223518458 376255238 /nfs/dbraw/zinc/25/52/38/376255238.db2.gz GTWJOEKQCAXWQX-UHFFFAOYSA-N 1 2 258.296 3.231 20 30 CGEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccncc1F ZINC000338364657 376350941 /nfs/dbraw/zinc/35/09/41/376350941.db2.gz DQRPDCHZZKHYLJ-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000264612662 190122750 /nfs/dbraw/zinc/12/27/50/190122750.db2.gz DFIWPUWZQRODJV-LLVKDONJSA-N 1 2 264.332 3.399 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1c(F)cccc1F ZINC000562047208 377270767 /nfs/dbraw/zinc/27/07/67/377270767.db2.gz IFKVXWDRPYVYDR-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO Cc1csc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000341225451 377453952 /nfs/dbraw/zinc/45/39/52/377453952.db2.gz DSVSPQCKCRFTSZ-UHFFFAOYSA-N 1 2 269.373 3.102 20 30 CGEDLO CC[C@@]1(C)COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000565637937 377489370 /nfs/dbraw/zinc/48/93/70/377489370.db2.gz QNAMQZKJFAYTGE-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@@]1(C)COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000565637937 377489375 /nfs/dbraw/zinc/48/93/75/377489375.db2.gz QNAMQZKJFAYTGE-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000568821407 377523392 /nfs/dbraw/zinc/52/33/92/377523392.db2.gz MQRLGPXANQHMBF-ZDUSSCGKSA-N 1 2 296.399 3.343 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000568103603 377513114 /nfs/dbraw/zinc/51/31/14/377513114.db2.gz CLDYWBYGFNCBMN-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000568103603 377513120 /nfs/dbraw/zinc/51/31/20/377513120.db2.gz CLDYWBYGFNCBMN-OAHLLOKOSA-N 1 2 295.386 3.395 20 30 CGEDLO Cc1[nH]c2ccc(COc3ccc(C#N)cc3F)cc2[nH+]1 ZINC000342655768 377716900 /nfs/dbraw/zinc/71/69/00/377716900.db2.gz NYSDUUVGAOHHJQ-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO Cc1[nH]c2cc(COc3ccc(C#N)cc3F)ccc2[nH+]1 ZINC000342655768 377716901 /nfs/dbraw/zinc/71/69/01/377716901.db2.gz NYSDUUVGAOHHJQ-UHFFFAOYSA-N 1 2 281.290 3.461 20 30 CGEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)CC1(C#N)CC1 ZINC000343234610 377936058 /nfs/dbraw/zinc/93/60/58/377936058.db2.gz BZHINSIQXZTAHG-UHFFFAOYSA-N 1 2 284.281 3.321 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)CC1(C#N)CC1 ZINC000343234610 377936063 /nfs/dbraw/zinc/93/60/63/377936063.db2.gz BZHINSIQXZTAHG-UHFFFAOYSA-N 1 2 284.281 3.321 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(CC#N)cc2)o1 ZINC000343529142 378007607 /nfs/dbraw/zinc/00/76/07/378007607.db2.gz MDYDUAZLVSBTNV-QGZVFWFLSA-N 1 2 296.370 3.228 20 30 CGEDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(CC#N)cc2)o1 ZINC000343529142 378007612 /nfs/dbraw/zinc/00/76/12/378007612.db2.gz MDYDUAZLVSBTNV-QGZVFWFLSA-N 1 2 296.370 3.228 20 30 CGEDLO Cc1[nH+]c2ccccc2n1CCNc1nccc(C)c1C#N ZINC000343509024 378000271 /nfs/dbraw/zinc/00/02/71/378000271.db2.gz IXFWRFIMKQGVMV-UHFFFAOYSA-N 1 2 291.358 3.032 20 30 CGEDLO C=C1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000266023960 190224349 /nfs/dbraw/zinc/22/43/49/190224349.db2.gz XUZBTOZYCHAQDS-AWEZNQCLSA-N 1 2 283.375 3.373 20 30 CGEDLO C=C(C)[C@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)OCC ZINC000270023098 378295495 /nfs/dbraw/zinc/29/54/95/378295495.db2.gz JJQRAASCOZXUNO-INIZCTEOSA-N 1 2 299.374 3.182 20 30 CGEDLO CC(C)(C)[C@H]1C[C@@H](/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000270569813 378369920 /nfs/dbraw/zinc/36/99/20/378369920.db2.gz AYMRLJNJHJGCIQ-RTXBOSROSA-N 1 2 277.364 3.110 20 30 CGEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nccs1 ZINC000272204202 378584811 /nfs/dbraw/zinc/58/48/11/378584811.db2.gz JMWHNSXGQHSKAQ-NSHDSACASA-N 1 2 269.373 3.355 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nccn1C(F)F ZINC000272224839 378590088 /nfs/dbraw/zinc/59/00/88/378590088.db2.gz CTPFFJNZZNLEQG-UHFFFAOYSA-N 1 2 281.306 3.102 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nccn1C(F)F ZINC000272224839 378590093 /nfs/dbraw/zinc/59/00/93/378590093.db2.gz CTPFFJNZZNLEQG-UHFFFAOYSA-N 1 2 281.306 3.102 20 30 CGEDLO C=CCOCCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000348033822 378759427 /nfs/dbraw/zinc/75/94/27/378759427.db2.gz MXVOBQFLSXOMNV-MRXNPFEDSA-N 1 2 295.810 3.306 20 30 CGEDLO C=CCOCCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000348033822 378759431 /nfs/dbraw/zinc/75/94/31/378759431.db2.gz MXVOBQFLSXOMNV-MRXNPFEDSA-N 1 2 295.810 3.306 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638876406 378945133 /nfs/dbraw/zinc/94/51/33/378945133.db2.gz YQJNXQBQNAZHIV-AWEZNQCLSA-N 1 2 296.361 3.073 20 30 CGEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540697 379457650 /nfs/dbraw/zinc/45/76/50/379457650.db2.gz YGEGOUAVIXZIQC-CHWSQXEVSA-N 1 2 299.340 3.484 20 30 CGEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374540697 379457662 /nfs/dbraw/zinc/45/76/62/379457662.db2.gz YGEGOUAVIXZIQC-CHWSQXEVSA-N 1 2 299.340 3.484 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1conc1CC ZINC000350301232 379534788 /nfs/dbraw/zinc/53/47/88/379534788.db2.gz MHNNNGGVWHESFP-UHFFFAOYSA-N 1 2 262.378 3.487 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1conc1CC ZINC000350301232 379534799 /nfs/dbraw/zinc/53/47/99/379534799.db2.gz MHNNNGGVWHESFP-UHFFFAOYSA-N 1 2 262.378 3.487 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1ccnc(C)n1 ZINC000350298859 379535434 /nfs/dbraw/zinc/53/54/34/379535434.db2.gz FNKPBDKKJPVPBY-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(C)n1 ZINC000350298859 379535442 /nfs/dbraw/zinc/53/54/42/379535442.db2.gz FNKPBDKKJPVPBY-UHFFFAOYSA-N 1 2 259.378 3.035 20 30 CGEDLO N#Cc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000267532273 190336411 /nfs/dbraw/zinc/33/64/11/190336411.db2.gz LSDWPIGMFPNDCZ-HNNXBMFYSA-N 1 2 284.338 3.148 20 30 CGEDLO N#Cc1cc(Cl)ccc1NCc1cn2ccccc2[nH+]1 ZINC000352734653 379930989 /nfs/dbraw/zinc/93/09/89/379930989.db2.gz ZMGKUJNXXBZFFF-UHFFFAOYSA-N 1 2 282.734 3.471 20 30 CGEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000267896430 190361363 /nfs/dbraw/zinc/36/13/63/190361363.db2.gz UKWRDTYKQLXXOD-LBPRGKRZSA-N 1 2 269.348 3.070 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cnc2ccc(C)cc2c1 ZINC000411311129 380139661 /nfs/dbraw/zinc/13/96/61/380139661.db2.gz WRTAYORYJRZEMT-UHFFFAOYSA-N 1 2 253.349 3.279 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cnc2ccc(C)cc2c1 ZINC000411311129 380139668 /nfs/dbraw/zinc/13/96/68/380139668.db2.gz WRTAYORYJRZEMT-UHFFFAOYSA-N 1 2 253.349 3.279 20 30 CGEDLO CCn1nccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353945777 380247343 /nfs/dbraw/zinc/24/73/43/380247343.db2.gz CHQLMQXKAVUJBI-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO CCn1nccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353945777 380247346 /nfs/dbraw/zinc/24/73/46/380247346.db2.gz CHQLMQXKAVUJBI-QZTJIDSGSA-N 1 2 294.402 3.175 20 30 CGEDLO C[N@H+](Cc1c(C2CC2)nc2sccn12)CC(C)(C)C#N ZINC000354017625 380281092 /nfs/dbraw/zinc/28/10/92/380281092.db2.gz LVNMPZBQBPTJGO-UHFFFAOYSA-N 1 2 288.420 3.255 20 30 CGEDLO C[N@@H+](Cc1c(C2CC2)nc2sccn12)CC(C)(C)C#N ZINC000354017625 380281098 /nfs/dbraw/zinc/28/10/98/380281098.db2.gz LVNMPZBQBPTJGO-UHFFFAOYSA-N 1 2 288.420 3.255 20 30 CGEDLO CO[C@H](CC(C)C)C[N@H+](CCC#N)Cc1ccco1 ZINC000419222857 380782001 /nfs/dbraw/zinc/78/20/01/380782001.db2.gz XYIHLEDSSPXKMW-OAHLLOKOSA-N 1 2 264.369 3.056 20 30 CGEDLO CO[C@H](CC(C)C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000419222857 380782006 /nfs/dbraw/zinc/78/20/06/380782006.db2.gz XYIHLEDSSPXKMW-OAHLLOKOSA-N 1 2 264.369 3.056 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000419296789 380795649 /nfs/dbraw/zinc/79/56/49/380795649.db2.gz FSGXXCQFFPHUKH-CQSZACIVSA-N 1 2 276.330 3.275 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000419296789 380795654 /nfs/dbraw/zinc/79/56/54/380795654.db2.gz FSGXXCQFFPHUKH-CQSZACIVSA-N 1 2 276.330 3.275 20 30 CGEDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000362928058 382152328 /nfs/dbraw/zinc/15/23/28/382152328.db2.gz OJRVSXKJCHASDY-NXEZZACHSA-N 1 2 289.408 3.102 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(C#N)cs2)[nH]1 ZINC000362928059 382152703 /nfs/dbraw/zinc/15/27/03/382152703.db2.gz OJRVSXKJCHASDY-UWVGGRQHSA-N 1 2 289.408 3.102 20 30 CGEDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000281103198 195105998 /nfs/dbraw/zinc/10/59/98/195105998.db2.gz LGDTWWUBEQXYKG-OAHLLOKOSA-N 1 2 284.363 3.095 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000281411467 195231197 /nfs/dbraw/zinc/23/11/97/195231197.db2.gz OEJJDAANHSYXAJ-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000281411467 195231199 /nfs/dbraw/zinc/23/11/99/195231199.db2.gz OEJJDAANHSYXAJ-QGZVFWFLSA-N 1 2 298.365 3.158 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1scnc1C1CC1)C1CC1 ZINC000494958448 262273489 /nfs/dbraw/zinc/27/34/89/262273489.db2.gz WACIRCASUHYOMC-SNVBAGLBSA-N 1 2 261.394 3.145 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1scnc1C1CC1)C1CC1 ZINC000494958448 262273490 /nfs/dbraw/zinc/27/34/90/262273490.db2.gz WACIRCASUHYOMC-SNVBAGLBSA-N 1 2 261.394 3.145 20 30 CGEDLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C#N)cc1F ZINC000358551197 533465657 /nfs/dbraw/zinc/46/56/57/533465657.db2.gz ACBAFRFGDICJRC-GFCCVEGCSA-N 1 2 294.333 3.196 20 30 CGEDLO Cc1ccc2[nH+]cc(CN(CCC#N)CC(C)(C)C)n2c1 ZINC000093101314 392235617 /nfs/dbraw/zinc/23/56/17/392235617.db2.gz SCKXLSVPRNFFAV-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccc2ncc(C[N@H+](CCC#N)CC(C)(C)C)n2c1 ZINC000093101314 392235621 /nfs/dbraw/zinc/23/56/21/392235621.db2.gz SCKXLSVPRNFFAV-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO Cc1ccc2ncc(C[N@@H+](CCC#N)CC(C)(C)C)n2c1 ZINC000093101314 392235625 /nfs/dbraw/zinc/23/56/25/392235625.db2.gz SCKXLSVPRNFFAV-UHFFFAOYSA-N 1 2 284.407 3.405 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000097078974 392258833 /nfs/dbraw/zinc/25/88/33/392258833.db2.gz QMRHCZYOBIGWDT-JTQLQIEISA-N 1 2 256.271 3.439 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000097078974 392258838 /nfs/dbraw/zinc/25/88/38/392258838.db2.gz QMRHCZYOBIGWDT-JTQLQIEISA-N 1 2 256.271 3.439 20 30 CGEDLO N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000102185063 392271871 /nfs/dbraw/zinc/27/18/71/392271871.db2.gz SMIALSUBNIGAHZ-AWEZNQCLSA-N 1 2 295.346 3.040 20 30 CGEDLO Cc1nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c(Cl)cc1C#N ZINC000292713454 392510004 /nfs/dbraw/zinc/51/00/04/392510004.db2.gz SYFXKHGPUIVPAX-GFCCVEGCSA-N 1 2 289.770 3.447 20 30 CGEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(C#N)cc1 ZINC000301400390 392590205 /nfs/dbraw/zinc/59/02/05/392590205.db2.gz BTAGWPGJDSOJHO-UHFFFAOYSA-N 1 2 254.337 3.023 20 30 CGEDLO COc1ccc(CC[N@H+](CCC#N)Cc2ccccn2)cc1 ZINC000178382199 392677598 /nfs/dbraw/zinc/67/75/98/392677598.db2.gz UZNBHUCCLXZUCU-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO COc1ccc(CC[N@@H+](CCC#N)Cc2ccccn2)cc1 ZINC000178382199 392677609 /nfs/dbraw/zinc/67/76/09/392677609.db2.gz UZNBHUCCLXZUCU-UHFFFAOYSA-N 1 2 295.386 3.049 20 30 CGEDLO Cc1nc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(Cl)cc1C#N ZINC000333712999 392703471 /nfs/dbraw/zinc/70/34/71/392703471.db2.gz QFJSSVBOJNLMPI-UFBFGSQYSA-N 1 2 287.754 3.230 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375322364 392766312 /nfs/dbraw/zinc/76/63/12/392766312.db2.gz YCRUOKUGJDXLJB-QGZVFWFLSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375322364 392766321 /nfs/dbraw/zinc/76/63/21/392766321.db2.gz YCRUOKUGJDXLJB-QGZVFWFLSA-N 1 2 288.366 3.088 20 30 CGEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC000335671503 392805758 /nfs/dbraw/zinc/80/57/58/392805758.db2.gz FTELBJOEZQRDAR-OAHLLOKOSA-N 1 2 297.383 3.254 20 30 CGEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC000335671503 392805762 /nfs/dbraw/zinc/80/57/62/392805762.db2.gz FTELBJOEZQRDAR-OAHLLOKOSA-N 1 2 297.383 3.254 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1cocn1)c1ccc(F)c(F)c1 ZINC000192345179 392847668 /nfs/dbraw/zinc/84/76/68/392847668.db2.gz HVPLDHVTBQRLAT-CQSZACIVSA-N 1 2 264.275 3.360 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2[nH+]1 ZINC000519683814 392881761 /nfs/dbraw/zinc/88/17/61/392881761.db2.gz PESJSILHGCJYSZ-KRWDZBQOSA-N 1 2 294.358 3.284 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000649423100 393418747 /nfs/dbraw/zinc/41/87/47/393418747.db2.gz KWSFPQIWZDWUIJ-INIZCTEOSA-N 1 2 256.349 3.015 20 30 CGEDLO CC(=O)c1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000649423100 393418753 /nfs/dbraw/zinc/41/87/53/393418753.db2.gz KWSFPQIWZDWUIJ-INIZCTEOSA-N 1 2 256.349 3.015 20 30 CGEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356410975 393437913 /nfs/dbraw/zinc/43/79/13/393437913.db2.gz WSULOHCEKKKJPN-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356410975 393437916 /nfs/dbraw/zinc/43/79/16/393437916.db2.gz WSULOHCEKKKJPN-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Oc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000427007507 393452608 /nfs/dbraw/zinc/45/26/08/393452608.db2.gz HQJANUCACDOCAE-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO Oc1ccc2c(c1)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000427007507 393452613 /nfs/dbraw/zinc/45/26/13/393452613.db2.gz HQJANUCACDOCAE-UHFFFAOYSA-N 1 2 297.785 3.455 20 30 CGEDLO Cc1cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)ccc1C#N ZINC000488263105 393476496 /nfs/dbraw/zinc/47/64/96/393476496.db2.gz HISXXWWTUQFFON-GFCCVEGCSA-N 1 2 298.390 3.398 20 30 CGEDLO CC[C@H](Nc1ncc(Cl)c(C)c1C#N)c1[nH]cc[nH+]1 ZINC000357695854 393515019 /nfs/dbraw/zinc/51/50/19/393515019.db2.gz IVWNYTIKNMVDKX-NSHDSACASA-N 1 2 275.743 3.201 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000489469472 393599713 /nfs/dbraw/zinc/59/97/13/393599713.db2.gz BPNFTLDUFOSILC-ZDUSSCGKSA-N 1 2 276.355 3.113 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1F ZINC000489469472 393599717 /nfs/dbraw/zinc/59/97/17/393599717.db2.gz BPNFTLDUFOSILC-ZDUSSCGKSA-N 1 2 276.355 3.113 20 30 CGEDLO Cc1cc(N2CC[C@@]3(CC[C@@H](C)C3)C2)c(C#N)c[nH+]1 ZINC000425243164 393690953 /nfs/dbraw/zinc/69/09/53/393690953.db2.gz DXKXPVNVCLQEIT-MLGOLLRUSA-N 1 2 255.365 3.278 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C(C)C)s1 ZINC000450885442 394037944 /nfs/dbraw/zinc/03/79/44/394037944.db2.gz UTSVIPSSDNPIQR-NSHDSACASA-N 1 2 251.399 3.202 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C(C)C)s1 ZINC000450885442 394037946 /nfs/dbraw/zinc/03/79/46/394037946.db2.gz UTSVIPSSDNPIQR-NSHDSACASA-N 1 2 251.399 3.202 20 30 CGEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2nccs2)cc1 ZINC000673929490 543259476 /nfs/dbraw/zinc/25/94/76/543259476.db2.gz HVUICHNIYGUQDI-UHFFFAOYSA-N 1 2 296.317 3.303 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)o1 ZINC000285465136 196292003 /nfs/dbraw/zinc/29/20/03/196292003.db2.gz HEACUEPZSMPRNS-UHFFFAOYSA-N 1 2 299.349 3.180 20 30 CGEDLO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000127504492 287289132 /nfs/dbraw/zinc/28/91/32/287289132.db2.gz KCXIQAGZEJZVLV-VXGBXAGGSA-N 1 2 284.363 3.476 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000679218480 543600170 /nfs/dbraw/zinc/60/01/70/543600170.db2.gz MPIBEDUXSPAITH-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000679218480 543600172 /nfs/dbraw/zinc/60/01/72/543600172.db2.gz MPIBEDUXSPAITH-UHFFFAOYSA-N 1 2 257.337 3.053 20 30 CGEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000680424525 543710333 /nfs/dbraw/zinc/71/03/33/543710333.db2.gz BMCPFRYMZZIVEY-STQMWFEESA-N 1 2 299.374 3.198 20 30 CGEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329039030 227269912 /nfs/dbraw/zinc/26/99/12/227269912.db2.gz ZSDVSVBYBQHRMJ-BFHYXJOUSA-N 1 2 273.380 3.107 20 30 CGEDLO C=CCC[C@H](C)[NH2+][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656276247 419164211 /nfs/dbraw/zinc/16/42/11/419164211.db2.gz CSAAOJUTDUHQQJ-SDDRHHMPSA-N 1 2 265.319 3.431 20 30 CGEDLO C=CC[N@H+](Cc1csc(-c2ccco2)n1)[C@@H](C)COC ZINC000661242950 419244811 /nfs/dbraw/zinc/24/48/11/419244811.db2.gz HLQFPCKOEVSNDL-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1csc(-c2ccco2)n1)[C@@H](C)COC ZINC000661242950 419244813 /nfs/dbraw/zinc/24/48/13/419244813.db2.gz HLQFPCKOEVSNDL-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CCCn1cc(C[NH2+]Cc2oc3ccccc3c2C)nn1 ZINC000657361351 419259269 /nfs/dbraw/zinc/25/92/69/419259269.db2.gz ASXOZYBEGYEQTJ-UHFFFAOYSA-N 1 2 296.374 3.199 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661149368 419234923 /nfs/dbraw/zinc/23/49/23/419234923.db2.gz ALAIIUJJYUSQLF-MRXNPFEDSA-N 1 2 299.418 3.099 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000661149368 419234925 /nfs/dbraw/zinc/23/49/25/419234925.db2.gz ALAIIUJJYUSQLF-MRXNPFEDSA-N 1 2 299.418 3.099 20 30 CGEDLO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](C#N)CCC#N ZINC000073021371 260279918 /nfs/dbraw/zinc/27/99/18/260279918.db2.gz PXXITPNQBWUHNS-INIZCTEOSA-N 1 2 296.418 3.162 20 30 CGEDLO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](C#N)CCC#N ZINC000073021371 260279919 /nfs/dbraw/zinc/27/99/19/260279919.db2.gz PXXITPNQBWUHNS-INIZCTEOSA-N 1 2 296.418 3.162 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCOC(C)(C)C2)c1O ZINC000124155057 260744522 /nfs/dbraw/zinc/74/45/22/260744522.db2.gz QQRLCVPUGFOFFF-HNEYUBDGSA-N 1 2 277.364 3.167 20 30 CGEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000177043922 261327336 /nfs/dbraw/zinc/32/73/36/261327336.db2.gz CXNAQXJOYJASGZ-ZDUSSCGKSA-N 1 2 260.768 3.173 20 30 CGEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000177043922 261327339 /nfs/dbraw/zinc/32/73/39/261327339.db2.gz CXNAQXJOYJASGZ-ZDUSSCGKSA-N 1 2 260.768 3.173 20 30 CGEDLO N#CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000309920477 262052674 /nfs/dbraw/zinc/05/26/74/262052674.db2.gz VTQGJOVTLCONIO-UHFFFAOYSA-N 1 2 266.344 3.269 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1cnc(-c2ccccn2)s1)C1CC1 ZINC000354034527 262347882 /nfs/dbraw/zinc/34/78/82/262347882.db2.gz RORBWYIBPIQPHX-LBPRGKRZSA-N 1 2 298.415 3.329 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1cnc(-c2ccccn2)s1)C1CC1 ZINC000354034527 262347883 /nfs/dbraw/zinc/34/78/83/262347883.db2.gz RORBWYIBPIQPHX-LBPRGKRZSA-N 1 2 298.415 3.329 20 30 CGEDLO CC[N@H+](CCC#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272367218 263003518 /nfs/dbraw/zinc/00/35/18/263003518.db2.gz UACRNVOCUDDKEF-GFCCVEGCSA-N 1 2 261.325 3.200 20 30 CGEDLO CC[N@@H+](CCC#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272367218 263003519 /nfs/dbraw/zinc/00/35/19/263003519.db2.gz UACRNVOCUDDKEF-GFCCVEGCSA-N 1 2 261.325 3.200 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cccc(Br)c1OC ZINC000274827175 263030777 /nfs/dbraw/zinc/03/07/77/263030777.db2.gz DBVSHPJLTYBPQX-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cccc(Br)c1OC ZINC000274827175 263030778 /nfs/dbraw/zinc/03/07/78/263030778.db2.gz DBVSHPJLTYBPQX-UHFFFAOYSA-N 1 2 297.196 3.193 20 30 CGEDLO CCCOc1ccc(/C=[NH+]/[C@@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000280965786 263065430 /nfs/dbraw/zinc/06/54/30/263065430.db2.gz ITADALPMXWKQJZ-RTXBOSROSA-N 1 2 277.364 3.025 20 30 CGEDLO CC(C)(C#N)CCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000281852613 263072282 /nfs/dbraw/zinc/07/22/82/263072282.db2.gz JONNBTCTMCMUTF-UHFFFAOYSA-N 1 2 279.771 3.111 20 30 CGEDLO C=CCN(CCCc1c[nH+]ccc1C)CC(F)(F)F ZINC000289129950 263107854 /nfs/dbraw/zinc/10/78/54/263107854.db2.gz OKWNRDASYIMNOT-UHFFFAOYSA-N 1 2 272.314 3.373 20 30 CGEDLO CC[C@@](C)(C#N)C(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293022476 263137298 /nfs/dbraw/zinc/13/72/98/263137298.db2.gz KQBBZROYRSSFRX-INIZCTEOSA-N 1 2 274.364 3.497 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)Cc1cnn(CC(F)F)c1 ZINC000295274431 263175518 /nfs/dbraw/zinc/17/55/18/263175518.db2.gz HYZBNBXEJCUCLB-UHFFFAOYSA-N 1 2 298.381 3.300 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cnn(CC(F)F)c1 ZINC000295274431 263175519 /nfs/dbraw/zinc/17/55/19/263175519.db2.gz HYZBNBXEJCUCLB-UHFFFAOYSA-N 1 2 298.381 3.300 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000298518699 263220594 /nfs/dbraw/zinc/22/05/94/263220594.db2.gz LGZDXAYBIWQJOQ-NSHDSACASA-N 1 2 293.208 3.499 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2cc(Br)ccc2C1 ZINC000298518699 263220596 /nfs/dbraw/zinc/22/05/96/263220596.db2.gz LGZDXAYBIWQJOQ-NSHDSACASA-N 1 2 293.208 3.499 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCc1c(F)cccc1Cl ZINC000299323384 263239029 /nfs/dbraw/zinc/23/90/29/263239029.db2.gz IQLDIWJKQVGSKD-JTQLQIEISA-N 1 2 254.736 3.113 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000299323384 263239031 /nfs/dbraw/zinc/23/90/31/263239031.db2.gz IQLDIWJKQVGSKD-JTQLQIEISA-N 1 2 254.736 3.113 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000341906229 263364726 /nfs/dbraw/zinc/36/47/26/263364726.db2.gz HUXRLPFYHDOCGK-JTQLQIEISA-N 1 2 283.297 3.224 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000341906229 263364727 /nfs/dbraw/zinc/36/47/27/263364727.db2.gz HUXRLPFYHDOCGK-JTQLQIEISA-N 1 2 283.297 3.224 20 30 CGEDLO C=C(C)C[N@@H+](C)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000341909241 263366178 /nfs/dbraw/zinc/36/61/78/263366178.db2.gz LNCXXGGPBLHACB-GFCCVEGCSA-N 1 2 257.337 3.306 20 30 CGEDLO C=C(C)C[N@H+](C)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000341909241 263366179 /nfs/dbraw/zinc/36/61/79/263366179.db2.gz LNCXXGGPBLHACB-GFCCVEGCSA-N 1 2 257.337 3.306 20 30 CGEDLO C=C(C)C[C@@H](C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342015312 263378577 /nfs/dbraw/zinc/37/85/77/263378577.db2.gz UGJSZRLJINFPSP-CQSZACIVSA-N 1 2 283.375 3.091 20 30 CGEDLO C[N@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000342674650 263461915 /nfs/dbraw/zinc/46/19/15/263461915.db2.gz AWDXOPSEEPIIML-UHFFFAOYSA-N 1 2 287.588 3.448 20 30 CGEDLO C[N@@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC000342674650 263461917 /nfs/dbraw/zinc/46/19/17/263461917.db2.gz AWDXOPSEEPIIML-UHFFFAOYSA-N 1 2 287.588 3.448 20 30 CGEDLO CC[C@@H](CC#N)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331241802 264177006 /nfs/dbraw/zinc/17/70/06/264177006.db2.gz QNOJDBFIZSQEPT-LBPRGKRZSA-N 1 2 260.341 3.025 20 30 CGEDLO C=C(C)C(C)(C)C(=O)Nc1ccc2[nH]c(N(C)C)[nH+]c2c1 ZINC000424856719 264233262 /nfs/dbraw/zinc/23/32/62/264233262.db2.gz QDIJGXHRUILZRI-UHFFFAOYSA-N 1 2 286.379 3.170 20 30 CGEDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000194980398 270083301 /nfs/dbraw/zinc/08/33/01/270083301.db2.gz JOYSCWSZIDDTMQ-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000194980398 270083302 /nfs/dbraw/zinc/08/33/02/270083302.db2.gz JOYSCWSZIDDTMQ-LLVKDONJSA-N 1 2 258.296 3.483 20 30 CGEDLO C=CCCN(C)C(=O)CCn1c(CCC)[nH+]c2ccccc21 ZINC000355980889 266053190 /nfs/dbraw/zinc/05/31/90/266053190.db2.gz LGSYOGZMPUMIQS-UHFFFAOYSA-N 1 2 299.418 3.413 20 30 CGEDLO C=CCOc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000357458694 266300762 /nfs/dbraw/zinc/30/07/62/266300762.db2.gz YJGCDPUZXSKTGW-UHFFFAOYSA-N 1 2 293.326 3.151 20 30 CGEDLO C=CC[C@@H](CC)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000357681673 266346021 /nfs/dbraw/zinc/34/60/21/266346021.db2.gz AVECFFOTTXVUAD-CYBMUJFWSA-N 1 2 260.385 3.234 20 30 CGEDLO C=CC[C@@H](CC)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000357681673 266346022 /nfs/dbraw/zinc/34/60/22/266346022.db2.gz AVECFFOTTXVUAD-CYBMUJFWSA-N 1 2 260.385 3.234 20 30 CGEDLO COc1cccc2c1[nH+]c(NCc1cccc(C#N)c1)n2C ZINC000184792896 266894309 /nfs/dbraw/zinc/89/43/09/266894309.db2.gz ZUISNKVVPASTTE-UHFFFAOYSA-N 1 2 292.342 3.066 20 30 CGEDLO CC(C)(C)c1nc(C[NH2+]CC2(C#N)CCC2)cs1 ZINC000418144339 267365388 /nfs/dbraw/zinc/36/53/88/267365388.db2.gz SVPQGEUCVVRIEH-UHFFFAOYSA-N 1 2 263.410 3.224 20 30 CGEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ncc(C#N)cc1F ZINC000413276665 276717906 /nfs/dbraw/zinc/71/79/06/276717906.db2.gz WMIZKTQUSWEVJX-AWEZNQCLSA-N 1 2 299.353 3.040 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)Cc2ccccc2O1 ZINC000429170600 288213601 /nfs/dbraw/zinc/21/36/01/288213601.db2.gz XUZCTCGBRUZWAV-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)Cc2ccccc2O1 ZINC000429170600 288213602 /nfs/dbraw/zinc/21/36/02/288213602.db2.gz XUZCTCGBRUZWAV-CYBMUJFWSA-N 1 2 296.345 3.480 20 30 CGEDLO Cc1cc(N2CCC(c3ccc(C)[nH+]c3)CC2)c(C#N)cn1 ZINC000333389147 280802182 /nfs/dbraw/zinc/80/21/82/280802182.db2.gz CRIAZCNBVDJPGL-UHFFFAOYSA-N 1 2 292.386 3.349 20 30 CGEDLO Cc1cc(C#N)nc(Nc2ccc([NH+]3CCCC3)cc2C)n1 ZINC000553209883 289213487 /nfs/dbraw/zinc/21/34/87/289213487.db2.gz DFVWUIZRMPYJNI-UHFFFAOYSA-N 1 2 293.374 3.309 20 30 CGEDLO C[C@H](CCC1CC1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000329950408 298379400 /nfs/dbraw/zinc/37/94/00/298379400.db2.gz LWHFFPIPDASAMN-TZMCWYRMSA-N 1 2 290.411 3.429 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339574382 328011842 /nfs/dbraw/zinc/01/18/42/328011842.db2.gz PCLQMSDCGAGZNK-OLZOCXBDSA-N 1 2 290.432 3.243 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339574382 328011844 /nfs/dbraw/zinc/01/18/44/328011844.db2.gz PCLQMSDCGAGZNK-OLZOCXBDSA-N 1 2 290.432 3.243 20 30 CGEDLO CC[C@@]1(C)COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000534117265 328036246 /nfs/dbraw/zinc/03/62/46/328036246.db2.gz BAHVSQPFCHOQNL-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@@]1(C)COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000534117265 328036248 /nfs/dbraw/zinc/03/62/48/328036248.db2.gz BAHVSQPFCHOQNL-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000563366152 328059489 /nfs/dbraw/zinc/05/94/89/328059489.db2.gz HEQAFVHLQCLDSR-GJZGRUSLSA-N 1 2 287.407 3.221 20 30 CGEDLO Cc1ccc(F)c(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000545928897 328086082 /nfs/dbraw/zinc/08/60/82/328086082.db2.gz RURRZXBDVCLFCN-UHFFFAOYSA-N 1 2 255.296 3.207 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000271134819 328195155 /nfs/dbraw/zinc/19/51/55/328195155.db2.gz QVSXKZKIVCQUOI-GFCCVEGCSA-N 1 2 288.782 3.117 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000271134819 328195156 /nfs/dbraw/zinc/19/51/56/328195156.db2.gz QVSXKZKIVCQUOI-GFCCVEGCSA-N 1 2 288.782 3.117 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000274473798 328211383 /nfs/dbraw/zinc/21/13/83/328211383.db2.gz CYKGBQGIOBCPLR-LLVKDONJSA-N 1 2 281.450 3.173 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000274473798 328211384 /nfs/dbraw/zinc/21/13/84/328211384.db2.gz CYKGBQGIOBCPLR-LLVKDONJSA-N 1 2 281.450 3.173 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000567013386 322146786 /nfs/dbraw/zinc/14/67/86/322146786.db2.gz WOWWVGPUUAEQAX-HNNXBMFYSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000567013386 322146788 /nfs/dbraw/zinc/14/67/88/322146788.db2.gz WOWWVGPUUAEQAX-HNNXBMFYSA-N 1 2 292.810 3.459 20 30 CGEDLO Cc1cc(NCc2ccccc2COC(C)C)c(C#N)c[nH+]1 ZINC000572994433 322365149 /nfs/dbraw/zinc/36/51/49/322365149.db2.gz KOTUGXFOFFJVES-UHFFFAOYSA-N 1 2 295.386 3.221 20 30 CGEDLO CCC(CC)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000409444745 327161684 /nfs/dbraw/zinc/16/16/84/327161684.db2.gz PHDQWAYGWAPCAS-SFHVURJKSA-N 1 2 285.435 3.133 20 30 CGEDLO CCC(CC)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000409444745 327161686 /nfs/dbraw/zinc/16/16/86/327161686.db2.gz PHDQWAYGWAPCAS-SFHVURJKSA-N 1 2 285.435 3.133 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@@H+]2CC(C)(C)CCC#N)no1 ZINC000367418130 327242406 /nfs/dbraw/zinc/24/24/06/327242406.db2.gz FFBUCTONZVUQIH-ZDUSSCGKSA-N 1 2 290.411 3.489 20 30 CGEDLO CCc1nc([C@@H]2CCCC[N@H+]2CC(C)(C)CCC#N)no1 ZINC000367418130 327242408 /nfs/dbraw/zinc/24/24/08/327242408.db2.gz FFBUCTONZVUQIH-ZDUSSCGKSA-N 1 2 290.411 3.489 20 30 CGEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000559465871 327246829 /nfs/dbraw/zinc/24/68/29/327246829.db2.gz CYBJKDNJQNGDEN-GJZGRUSLSA-N 1 2 286.419 3.482 20 30 CGEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000559465871 327246831 /nfs/dbraw/zinc/24/68/31/327246831.db2.gz CYBJKDNJQNGDEN-GJZGRUSLSA-N 1 2 286.419 3.482 20 30 CGEDLO COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000168915570 329062039 /nfs/dbraw/zinc/06/20/39/329062039.db2.gz XIJWIGGOIIVCGB-GXFFZTMASA-N 1 2 264.756 3.130 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1noc(COC)n1)c1ccccc1 ZINC000182814232 329242130 /nfs/dbraw/zinc/24/21/30/329242130.db2.gz YICNICLGMLECRC-CQSZACIVSA-N 1 2 287.363 3.013 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000419165044 329709931 /nfs/dbraw/zinc/70/99/31/329709931.db2.gz ASMYVAZWIFQMTL-AWEZNQCLSA-N 1 2 261.365 3.093 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1nc(Cc2ccccc2C)no1 ZINC000079384863 330021343 /nfs/dbraw/zinc/02/13/43/330021343.db2.gz LCEOQOJYEFAAEV-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1nc(Cc2ccccc2C)no1 ZINC000079384863 330021345 /nfs/dbraw/zinc/02/13/45/330021345.db2.gz LCEOQOJYEFAAEV-UHFFFAOYSA-N 1 2 285.391 3.367 20 30 CGEDLO C=C(C)COc1cccc(NCc2[nH+]ccn2CC)c1 ZINC000533209599 330352956 /nfs/dbraw/zinc/35/29/56/330352956.db2.gz JCHGPMSNSHTSSM-UHFFFAOYSA-N 1 2 271.364 3.470 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000432916592 330610188 /nfs/dbraw/zinc/61/01/88/330610188.db2.gz IIHLZMSNANYUKS-SNVBAGLBSA-N 1 2 263.341 3.217 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453247898 331107062 /nfs/dbraw/zinc/10/70/62/331107062.db2.gz WSZINIXPXMVMCU-HNNXBMFYSA-N 1 2 288.370 3.225 20 30 CGEDLO C=CCC(C)(C)C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453247898 331107063 /nfs/dbraw/zinc/10/70/63/331107063.db2.gz WSZINIXPXMVMCU-HNNXBMFYSA-N 1 2 288.370 3.225 20 30 CGEDLO C=CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000455481066 331170724 /nfs/dbraw/zinc/17/07/24/331170724.db2.gz HSHFWHUXVXTUOW-UHFFFAOYSA-N 1 2 259.353 3.189 20 30 CGEDLO C=CCCCCCN(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455489940 331170888 /nfs/dbraw/zinc/17/08/88/331170888.db2.gz UHEDMNFGJDSXJI-ZIAGYGMSSA-N 1 2 290.411 3.277 20 30 CGEDLO C[N@H+](CCC#N)Cc1cc(Cl)cc(Br)c1 ZINC000459341566 331277017 /nfs/dbraw/zinc/27/70/17/331277017.db2.gz JVIUEJGNCJIVAL-UHFFFAOYSA-N 1 2 287.588 3.448 20 30 CGEDLO C[N@@H+](CCC#N)Cc1cc(Cl)cc(Br)c1 ZINC000459341566 331277018 /nfs/dbraw/zinc/27/70/18/331277018.db2.gz JVIUEJGNCJIVAL-UHFFFAOYSA-N 1 2 287.588 3.448 20 30 CGEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000491125224 332153345 /nfs/dbraw/zinc/15/33/45/332153345.db2.gz BTJCIINFVUGVBS-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO C#CC[N@H+](CC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000491125224 332153347 /nfs/dbraw/zinc/15/33/47/332153347.db2.gz BTJCIINFVUGVBS-UHFFFAOYSA-N 1 2 254.333 3.105 20 30 CGEDLO Cc1ccccc1-c1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000541022615 333759642 /nfs/dbraw/zinc/75/96/42/333759642.db2.gz AMLYHHIYELKCIB-UHFFFAOYSA-N 1 2 296.374 3.171 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000541763856 333791025 /nfs/dbraw/zinc/79/10/25/333791025.db2.gz ZIRVYGBRAXEWNG-LLVKDONJSA-N 1 2 258.296 3.335 20 30 CGEDLO C=CC1CC[NH+](Cc2nc([C@H](C)SCC)no2)CC1 ZINC000131108711 333902511 /nfs/dbraw/zinc/90/25/11/333902511.db2.gz AJKYDVWRLVHODT-NSHDSACASA-N 1 2 281.425 3.282 20 30 CGEDLO Cc1ccc(C)c(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000547340583 334081240 /nfs/dbraw/zinc/08/12/40/334081240.db2.gz IXGVIWKWLBHXQN-UHFFFAOYSA-N 1 2 251.333 3.377 20 30 CGEDLO C=CCSc1ccccc1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000548098044 334139901 /nfs/dbraw/zinc/13/99/01/334139901.db2.gz HHHYFVNLQIYOQY-CHWSQXEVSA-N 1 2 290.432 3.386 20 30 CGEDLO CC#CC[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000550141214 334214084 /nfs/dbraw/zinc/21/40/84/334214084.db2.gz QDDLHWJSCUAFGT-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000550141214 334214085 /nfs/dbraw/zinc/21/40/85/334214085.db2.gz QDDLHWJSCUAFGT-UHFFFAOYSA-N 1 2 274.751 3.450 20 30 CGEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(Cl)cc1Cl ZINC000565312710 334551805 /nfs/dbraw/zinc/55/18/05/334551805.db2.gz LDZZBUURYNWOII-SECBINFHSA-N 1 2 258.152 3.170 20 30 CGEDLO COc1nc2ccccc2cc1C[NH2+]CC1(C#N)CCC1 ZINC000576965792 335271227 /nfs/dbraw/zinc/27/12/27/335271227.db2.gz WMGLHJRLAABDIQ-UHFFFAOYSA-N 1 2 281.359 3.027 20 30 CGEDLO C=CCC1(c2nc(Cc3c[nH+]cn3C)no2)CCCCC1 ZINC000351087838 335565952 /nfs/dbraw/zinc/56/59/52/335565952.db2.gz JEPKGTDPGYQUAI-UHFFFAOYSA-N 1 2 286.379 3.172 20 30 CGEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(F)c(F)c3)n2c1 ZINC000182667029 335835379 /nfs/dbraw/zinc/83/53/79/335835379.db2.gz ROIUOMVYDVFRAF-UHFFFAOYSA-N 1 2 284.269 3.096 20 30 CGEDLO COC(=O)c1occc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365647 534381715 /nfs/dbraw/zinc/38/17/15/534381715.db2.gz MIDBWXNRNNZUNQ-GFCCVEGCSA-N 1 2 298.342 3.131 20 30 CGEDLO COC(=O)c1occc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365647 534381722 /nfs/dbraw/zinc/38/17/22/534381722.db2.gz MIDBWXNRNNZUNQ-GFCCVEGCSA-N 1 2 298.342 3.131 20 30 CGEDLO CC(C)(C)OCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000354861627 526549075 /nfs/dbraw/zinc/54/90/75/526549075.db2.gz QJJVZGBTPYBGMK-UHFFFAOYSA-N 1 2 289.423 3.393 20 30 CGEDLO CC(C)(C)OCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000354861627 526549080 /nfs/dbraw/zinc/54/90/80/526549080.db2.gz QJJVZGBTPYBGMK-UHFFFAOYSA-N 1 2 289.423 3.393 20 30 CGEDLO CC[C@@H](C#N)Oc1cccc(CNc2cccc[nH+]2)c1 ZINC000113925475 529270606 /nfs/dbraw/zinc/27/06/06/529270606.db2.gz ZBBNCNSSIQTFHI-AWEZNQCLSA-N 1 2 267.332 3.375 20 30 CGEDLO C=CC[C@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000307622848 571680581 /nfs/dbraw/zinc/68/05/81/571680581.db2.gz HKTNPBVIODSCBW-ZETCQYMHSA-N 1 2 270.174 3.232 20 30 CGEDLO C=CC[C@@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000307622846 571680608 /nfs/dbraw/zinc/68/06/08/571680608.db2.gz HKTNPBVIODSCBW-SSDOTTSWSA-N 1 2 270.174 3.232 20 30 CGEDLO Fc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1F ZINC000730148041 571950845 /nfs/dbraw/zinc/95/08/45/571950845.db2.gz MSNNIWOTMAVISJ-UHFFFAOYSA-N 1 2 283.281 3.381 20 30 CGEDLO Cc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730148489 571951909 /nfs/dbraw/zinc/95/19/09/571951909.db2.gz VAKXQZVXEDMVEZ-UHFFFAOYSA-N 1 2 261.328 3.411 20 30 CGEDLO Clc1cc(Cl)c(N=NCc2[nH]cc[nH+]2)nc1Cl ZINC000731150313 572396448 /nfs/dbraw/zinc/39/64/48/572396448.db2.gz BFMRYMGAOPDOBW-UHFFFAOYSA-N 1 2 290.541 3.211 20 30 CGEDLO CC(C)Oc1ccc(C(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000731156194 572398227 /nfs/dbraw/zinc/39/82/27/572398227.db2.gz AGTQKZXRYGQHLB-FPLPWBNLSA-N 1 2 256.305 3.093 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cn1ccc(-c2cccs2)n1 ZINC000731659768 572421265 /nfs/dbraw/zinc/42/12/65/572421265.db2.gz YYSIHHVYSFHTTM-UHFFFAOYSA-N 1 2 288.420 3.441 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cn1ccc(-c2cccs2)n1 ZINC000731659768 572421270 /nfs/dbraw/zinc/42/12/70/572421270.db2.gz YYSIHHVYSFHTTM-UHFFFAOYSA-N 1 2 288.420 3.441 20 30 CGEDLO C=CCCOC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000740250211 572437529 /nfs/dbraw/zinc/43/75/29/572437529.db2.gz JQEWUKVFKCUEQV-UHFFFAOYSA-N 1 2 263.337 3.007 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cn2ccccc2c1C#N ZINC000740423495 572441812 /nfs/dbraw/zinc/44/18/12/572441812.db2.gz JTBMITJXFJOZLM-UHFFFAOYSA-N 1 2 280.375 3.183 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cn2ccccc2c1C#N ZINC000740423495 572441815 /nfs/dbraw/zinc/44/18/15/572441815.db2.gz JTBMITJXFJOZLM-UHFFFAOYSA-N 1 2 280.375 3.183 20 30 CGEDLO COc1cc(CC/[NH+]=C/c2cccc(O)c2O)ccc1C ZINC000741166098 572486746 /nfs/dbraw/zinc/48/67/46/572486746.db2.gz VOUVRQSQFJVVRN-WOJGMQOQSA-N 1 2 285.343 3.076 20 30 CGEDLO C[C@@]1(C/[NH+]=C/c2c(O)ccc3ccccc32)CCOC1 ZINC000733080940 572506697 /nfs/dbraw/zinc/50/66/97/572506697.db2.gz HEIPRYNQXRURJV-DKFVHQPUSA-N 1 2 269.344 3.391 20 30 CGEDLO Cc1ccc2c(c1)C/C(=C/c1c[nH+]c3ccc(C#N)cn13)C2=O ZINC000736433260 572791577 /nfs/dbraw/zinc/79/15/77/572791577.db2.gz BEZCKAAKSJSSFV-NVNXTCNLSA-N 1 2 299.333 3.337 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccccc2)n1 ZINC000746456969 572872167 /nfs/dbraw/zinc/87/21/67/572872167.db2.gz UAPXPEIHFRRLRN-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccccc2)n1 ZINC000746456969 572872169 /nfs/dbraw/zinc/87/21/69/572872169.db2.gz UAPXPEIHFRRLRN-UHFFFAOYSA-N 1 2 256.374 3.265 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000746456691 572872213 /nfs/dbraw/zinc/87/22/13/572872213.db2.gz FFTLNIAHQNHAKL-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000746456691 572872215 /nfs/dbraw/zinc/87/22/15/572872215.db2.gz FFTLNIAHQNHAKL-UHFFFAOYSA-N 1 2 286.400 3.274 20 30 CGEDLO Nc1ncccc1C=[NH+]Nc1ccc(C(F)(F)F)cc1 ZINC000746578980 572881952 /nfs/dbraw/zinc/88/19/52/572881952.db2.gz SFHWZVNCFXNNLH-UHFFFAOYSA-N 1 2 280.253 3.129 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1C#N ZINC000749515934 573014891 /nfs/dbraw/zinc/01/48/91/573014891.db2.gz ZEMMUWLCOFVKPV-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1C#N ZINC000749515934 573014895 /nfs/dbraw/zinc/01/48/95/573014895.db2.gz ZEMMUWLCOFVKPV-MRXNPFEDSA-N 1 2 297.358 3.200 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000957435929 613295136 /nfs/dbraw/zinc/29/51/36/613295136.db2.gz LSYQMDSSGVCAEX-MRXNPFEDSA-N 1 2 292.467 3.312 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC(C)(C)F)c(O)c1 ZINC000849172065 618683937 /nfs/dbraw/zinc/68/39/37/618683937.db2.gz LNCAELUGJCLWMY-MHWRWJLKSA-N 1 2 253.317 3.348 20 30 CGEDLO C=C(Br)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052440724 618717276 /nfs/dbraw/zinc/71/72/76/618717276.db2.gz PAXBXUYVWYQDBO-UHFFFAOYSA-N 1 2 270.170 3.036 20 30 CGEDLO C=C(Br)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000052440724 618717277 /nfs/dbraw/zinc/71/72/77/618717277.db2.gz PAXBXUYVWYQDBO-UHFFFAOYSA-N 1 2 270.170 3.036 20 30 CGEDLO CC(C)[N@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC000311267159 618900911 /nfs/dbraw/zinc/90/09/11/618900911.db2.gz LSZMQQMPJMMFEJ-UHFFFAOYSA-N 1 2 253.349 3.359 20 30 CGEDLO CC(C)[N@@H+](CCC#N)Cc1cnc2ccccc2c1 ZINC000311267159 618900912 /nfs/dbraw/zinc/90/09/12/618900912.db2.gz LSZMQQMPJMMFEJ-UHFFFAOYSA-N 1 2 253.349 3.359 20 30 CGEDLO N#CCC[C@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1 ZINC000893194560 619024642 /nfs/dbraw/zinc/02/46/42/619024642.db2.gz ILFJSSJHMNGJDD-INIZCTEOSA-N 1 2 280.375 3.353 20 30 CGEDLO C#C[C@H]([NH2+]Cc1csc(CCC(C)C)n1)[C@H]1CCCO1 ZINC000775789173 619101246 /nfs/dbraw/zinc/10/12/46/619101246.db2.gz KRPHOIHNZBRIJD-LSDHHAIUSA-N 1 2 292.448 3.002 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894060512 619362205 /nfs/dbraw/zinc/36/22/05/619362205.db2.gz TZYLCENNTKUFJC-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894060512 619362208 /nfs/dbraw/zinc/36/22/08/619362208.db2.gz TZYLCENNTKUFJC-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO CCc1cc(NCc2ccc(CC#N)cc2)nc(CC)[nH+]1 ZINC000894343190 619498157 /nfs/dbraw/zinc/49/81/57/619498157.db2.gz QKVLKOZOFLYVTJ-UHFFFAOYSA-N 1 2 280.375 3.280 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(Cl)cc1 ZINC000894554214 619573867 /nfs/dbraw/zinc/57/38/67/619573867.db2.gz ZXRSTMAYJFGDFS-INIZCTEOSA-N 1 2 299.805 3.415 20 30 CGEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)c2c(n1)CCCC2 ZINC000894611330 619588766 /nfs/dbraw/zinc/58/87/66/619588766.db2.gz XCBKFXFCTRBPJI-UHFFFAOYSA-N 1 2 271.408 3.250 20 30 CGEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)c2c(n1)CCCC2 ZINC000894611330 619588768 /nfs/dbraw/zinc/58/87/68/619588768.db2.gz XCBKFXFCTRBPJI-UHFFFAOYSA-N 1 2 271.408 3.250 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)co1 ZINC000894747671 619620037 /nfs/dbraw/zinc/62/00/37/619620037.db2.gz LAJSLGFFOJJYIX-UHFFFAOYSA-N 1 2 275.348 3.252 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)co1 ZINC000894747671 619620039 /nfs/dbraw/zinc/62/00/39/619620039.db2.gz LAJSLGFFOJJYIX-UHFFFAOYSA-N 1 2 275.348 3.252 20 30 CGEDLO Cc1ccc(CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000049066034 619679061 /nfs/dbraw/zinc/67/90/61/619679061.db2.gz SVCNPROJEMQMAQ-UHFFFAOYSA-N 1 2 272.323 3.280 20 30 CGEDLO Cc1nc(NC(C)(C)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000895831412 619894179 /nfs/dbraw/zinc/89/41/79/619894179.db2.gz FMXYYMANZCQBPV-UHFFFAOYSA-N 1 2 266.348 3.090 20 30 CGEDLO CSCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000896940582 620108714 /nfs/dbraw/zinc/10/87/14/620108714.db2.gz GTRVXMVSIGPOAA-UHFFFAOYSA-N 1 2 295.839 3.182 20 30 CGEDLO CON=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863078867 620322250 /nfs/dbraw/zinc/32/22/50/620322250.db2.gz AAESODKHHOIKEQ-ZDUSSCGKSA-N 1 2 297.196 3.218 20 30 CGEDLO CON=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863078867 620322251 /nfs/dbraw/zinc/32/22/51/620322251.db2.gz AAESODKHHOIKEQ-ZDUSSCGKSA-N 1 2 297.196 3.218 20 30 CGEDLO N#CC1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000898219467 620489325 /nfs/dbraw/zinc/48/93/25/620489325.db2.gz XZLCGRSBLCIELS-UHFFFAOYSA-N 1 2 264.756 3.218 20 30 CGEDLO Cc1nc(/C=C2\CC/C(=C\c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901416723 620881552 /nfs/dbraw/zinc/88/15/52/620881552.db2.gz IMWCZZWHIJECKG-FNCQTZNRSA-N 1 2 296.374 3.196 20 30 CGEDLO CCn1c[nH+]cc1/C=C\C(=O)c1ccc(C)cc1C ZINC000901431579 620886294 /nfs/dbraw/zinc/88/62/94/620886294.db2.gz UVTDBKMSMRURLH-VURMDHGXSA-N 1 2 254.333 3.416 20 30 CGEDLO CCn1c[nH+]cc1/C=C1\C(=O)c2c(c(F)ccc2O)[C@H]1C ZINC000901454762 620893510 /nfs/dbraw/zinc/89/35/10/620893510.db2.gz WPIUJFPFIIPAEC-ISAHRAOESA-N 1 2 286.306 3.131 20 30 CGEDLO Cc1[nH]c(/C=C2/CCOc3ccccc3C2=O)[nH+]c1C ZINC000901472905 620897817 /nfs/dbraw/zinc/89/78/17/620897817.db2.gz VDXORPPFHDMECI-XFXZXTDPSA-N 1 2 268.316 3.075 20 30 CGEDLO Cc1ccc(C)c2c1CC/C(=C\c1c[nH+]cn1C)C2=O ZINC000901489248 620898678 /nfs/dbraw/zinc/89/86/78/620898678.db2.gz IXWJNAZCMHXDJC-MDWZMJQESA-N 1 2 266.344 3.249 20 30 CGEDLO Cc1cc2c(cc1C)C(=O)/C(=C\c1c[nH+]cn1C)CS2 ZINC000901492198 620898806 /nfs/dbraw/zinc/89/88/06/620898806.db2.gz RASJOEYJCJSKFW-SDQBBNPISA-N 1 2 284.384 3.409 20 30 CGEDLO CC(C)[C@H]1c2ccccc2C(=O)/C1=C\c1c[nH+]cn1C ZINC000901499615 620902902 /nfs/dbraw/zinc/90/29/02/620902902.db2.gz NBQMOARYGMQUAS-YMDFIQGPSA-N 1 2 266.344 3.440 20 30 CGEDLO N#CC1(CCCCO[NH+]=C(N)c2ccccc2)CCC1 ZINC000902685342 621399446 /nfs/dbraw/zinc/39/94/46/621399446.db2.gz KHRCMEMRMRMPKC-UHFFFAOYSA-N 1 2 271.364 3.397 20 30 CGEDLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cc(C#N)ccn1 ZINC000902921188 621491862 /nfs/dbraw/zinc/49/18/62/621491862.db2.gz QGZNHDVKFZJALJ-CYBMUJFWSA-N 1 2 293.374 3.122 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc(C#N)c1 ZINC000903023797 621542641 /nfs/dbraw/zinc/54/26/41/621542641.db2.gz IVTWSHVZYDLOIR-GXFFZTMASA-N 1 2 272.377 3.212 20 30 CGEDLO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903105665 621578617 /nfs/dbraw/zinc/57/86/17/621578617.db2.gz HMLLQEORNKXPHF-SNVBAGLBSA-N 1 2 264.756 3.303 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(O)c1F ZINC000903109288 621583093 /nfs/dbraw/zinc/58/30/93/621583093.db2.gz MMXAHZGUJFJXHP-LLVKDONJSA-N 1 2 262.328 3.266 20 30 CGEDLO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)c1cccc(C#N)c1O ZINC000903356917 621713776 /nfs/dbraw/zinc/71/37/76/621713776.db2.gz VJYQPCSKNJOSPI-GXTWGEPZSA-N 1 2 288.391 3.262 20 30 CGEDLO Cc1cc(C)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c(C)[nH+]1 ZINC000906859792 622269370 /nfs/dbraw/zinc/26/93/70/622269370.db2.gz FUKAACGEVBYUJP-ZDUSSCGKSA-N 1 2 293.370 3.370 20 30 CGEDLO CC[C@@H]([NH2+]CCOC1CCCC1)c1cccc(C#N)c1O ZINC000924841455 622541558 /nfs/dbraw/zinc/54/15/58/622541558.db2.gz JGIJBGXHWKRYQX-MRXNPFEDSA-N 1 2 288.391 3.264 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993061786 623812867 /nfs/dbraw/zinc/81/28/67/623812867.db2.gz XYAIFURJOUDVNB-DGCLKSJQSA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993061786 623812870 /nfs/dbraw/zinc/81/28/70/623812870.db2.gz XYAIFURJOUDVNB-DGCLKSJQSA-N 1 2 298.839 3.083 20 30 CGEDLO N#CC1(Cn2c[nH+]c(Cc3ccccc3)c2)CCC1 ZINC000919151320 624391295 /nfs/dbraw/zinc/39/12/95/624391295.db2.gz RJDYDPGFUQPNRE-UHFFFAOYSA-N 1 2 251.333 3.168 20 30 CGEDLO Cc1[nH]c(-c2ccc(NC(=O)C3(C#N)CCC3)cc2)[nH+]c1C ZINC000921660721 625811292 /nfs/dbraw/zinc/81/12/92/625811292.db2.gz CMSCTXFYNYGCDS-UHFFFAOYSA-N 1 2 294.358 3.326 20 30 CGEDLO Cc1ccc(C[N@H+](Cc2cncc(C#N)c2)C2CC2)o1 ZINC000929281770 625985635 /nfs/dbraw/zinc/98/56/35/625985635.db2.gz CYOWCWRAFMDHQC-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO Cc1ccc(C[N@@H+](Cc2cncc(C#N)c2)C2CC2)o1 ZINC000929281770 625985636 /nfs/dbraw/zinc/98/56/36/625985636.db2.gz CYOWCWRAFMDHQC-UHFFFAOYSA-N 1 2 267.332 3.019 20 30 CGEDLO CC(=O)c1ccc(C#N)cc1NCCCNc1cccc[nH+]1 ZINC000754013647 626472228 /nfs/dbraw/zinc/47/22/28/626472228.db2.gz LTZYCXQQXQMSKP-UHFFFAOYSA-N 1 2 294.358 3.070 20 30 CGEDLO C#CCCCCCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000760256584 626949061 /nfs/dbraw/zinc/94/90/61/626949061.db2.gz HBLRMUVYKQLIGK-INIZCTEOSA-N 1 2 299.414 3.170 20 30 CGEDLO C#CCCCCCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000760256584 626949064 /nfs/dbraw/zinc/94/90/64/626949064.db2.gz HBLRMUVYKQLIGK-INIZCTEOSA-N 1 2 299.414 3.170 20 30 CGEDLO C#CC[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000763267971 627147786 /nfs/dbraw/zinc/14/77/86/627147786.db2.gz OXEXENRNKCXQNG-INIZCTEOSA-N 1 2 296.370 3.467 20 30 CGEDLO C#CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(F)cc1 ZINC000769145196 627526157 /nfs/dbraw/zinc/52/61/57/627526157.db2.gz DVPNBQQKQSMRFY-UHFFFAOYSA-N 1 2 299.393 3.482 20 30 CGEDLO C#CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(F)cc1 ZINC000769145196 627526161 /nfs/dbraw/zinc/52/61/61/627526161.db2.gz DVPNBQQKQSMRFY-UHFFFAOYSA-N 1 2 299.393 3.482 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCCc2cccs2)c1O ZINC000769549077 627565024 /nfs/dbraw/zinc/56/50/24/627565024.db2.gz NBVWCSWNQFIMPX-GDNBJRDFSA-N 1 2 261.346 3.211 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000769977608 627594168 /nfs/dbraw/zinc/59/41/68/627594168.db2.gz MMFAVXHQUQOJKA-OAHLLOKOSA-N 1 2 294.398 3.146 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000769977608 627594172 /nfs/dbraw/zinc/59/41/72/627594172.db2.gz MMFAVXHQUQOJKA-OAHLLOKOSA-N 1 2 294.398 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000775892326 628146840 /nfs/dbraw/zinc/14/68/40/628146840.db2.gz RZJCTHBZEVWBAY-OAHLLOKOSA-N 1 2 263.768 3.260 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000775892326 628146843 /nfs/dbraw/zinc/14/68/43/628146843.db2.gz RZJCTHBZEVWBAY-OAHLLOKOSA-N 1 2 263.768 3.260 20 30 CGEDLO C=CC[N@@H+](C)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000777548221 628282071 /nfs/dbraw/zinc/28/20/71/628282071.db2.gz OYNYLWIDXZMTKM-UHFFFAOYSA-N 1 2 273.405 3.392 20 30 CGEDLO C=CC[N@H+](C)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000777548221 628282075 /nfs/dbraw/zinc/28/20/75/628282075.db2.gz OYNYLWIDXZMTKM-UHFFFAOYSA-N 1 2 273.405 3.392 20 30 CGEDLO CC(=NNc1ccnc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000781129829 628539460 /nfs/dbraw/zinc/53/94/60/628539460.db2.gz LWTZIBMBKNSPJL-UHFFFAOYSA-N 1 2 295.321 3.243 20 30 CGEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc(Cl)cn1 ZINC000788476486 629057560 /nfs/dbraw/zinc/05/75/60/629057560.db2.gz QINAXTDGKCKOOX-UHFFFAOYSA-N 1 2 298.777 3.190 20 30 CGEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(Cl)cn1 ZINC000788476486 629057564 /nfs/dbraw/zinc/05/75/64/629057564.db2.gz QINAXTDGKCKOOX-UHFFFAOYSA-N 1 2 298.777 3.190 20 30 CGEDLO C=C(Br)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791582740 629290975 /nfs/dbraw/zinc/29/09/75/629290975.db2.gz CMBZTUKIUJFRRB-SFYZADRCSA-N 1 2 272.108 3.168 20 30 CGEDLO C=C(Br)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791582740 629290979 /nfs/dbraw/zinc/29/09/79/629290979.db2.gz CMBZTUKIUJFRRB-SFYZADRCSA-N 1 2 272.108 3.168 20 30 CGEDLO C[C@H](NN=Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000793116338 629413666 /nfs/dbraw/zinc/41/36/66/629413666.db2.gz RXJFVGMQONTPJY-NSHDSACASA-N 1 2 276.409 3.292 20 30 CGEDLO CN(C)c1ccc(C#N)cc1CNc1ccc([NH+](C)C)cc1 ZINC000864023099 629729396 /nfs/dbraw/zinc/72/93/96/629729396.db2.gz QBLXNAPJHPOPEU-UHFFFAOYSA-N 1 2 294.402 3.302 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796632957 629808270 /nfs/dbraw/zinc/80/82/70/629808270.db2.gz PEQDNGKASYHQLB-UHFFFAOYSA-N 1 2 298.317 3.369 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000796632957 629808271 /nfs/dbraw/zinc/80/82/71/629808271.db2.gz PEQDNGKASYHQLB-UHFFFAOYSA-N 1 2 298.317 3.369 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CC[C@H]2CCCOC2)c(O)c1 ZINC000864345236 629815327 /nfs/dbraw/zinc/81/53/27/629815327.db2.gz RGGMXEQKXVLOGF-VVBXCHJUSA-N 1 2 277.364 3.027 20 30 CGEDLO CC1=C(Br)C[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000797527981 629954047 /nfs/dbraw/zinc/95/40/47/629954047.db2.gz XJSNQORUOZGGIR-UHFFFAOYSA-N 1 2 291.192 3.433 20 30 CGEDLO CC1=C(Br)C[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000797527981 629954051 /nfs/dbraw/zinc/95/40/51/629954051.db2.gz XJSNQORUOZGGIR-UHFFFAOYSA-N 1 2 291.192 3.433 20 30 CGEDLO O=C1C=C([NH2+]Nc2cccc(Cl)c2F)[C@H]2CCCCN12 ZINC000799479372 630187985 /nfs/dbraw/zinc/18/79/85/630187985.db2.gz OTVBRSNZLRGCIO-GFCCVEGCSA-N 1 2 295.745 3.032 20 30 CGEDLO COc1ccccc1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000836842591 634813317 /nfs/dbraw/zinc/81/33/17/634813317.db2.gz QXJKSCXHFOPDLD-UHFFFAOYSA-N 1 2 290.750 3.186 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)c(F)c(F)c1 ZINC000810143075 630845844 /nfs/dbraw/zinc/84/58/44/630845844.db2.gz AUMFTIBQMIYNLP-ZETCQYMHSA-N 1 2 297.305 3.283 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cccc(OC)c1F)c1ccc(F)cc1 ZINC000812792984 631312283 /nfs/dbraw/zinc/31/22/83/631312283.db2.gz KSAZDKDTRGWWEK-OAHLLOKOSA-N 1 2 287.309 3.438 20 30 CGEDLO C#CCC1(C(=O)NCc2c[nH+]c(C)cc2C)CCCCC1 ZINC000837104596 634856766 /nfs/dbraw/zinc/85/67/66/634856766.db2.gz GUHNAQNENCOOAW-UHFFFAOYSA-N 1 2 284.403 3.288 20 30 CGEDLO C=CC[N@@H+](Cc1ncc(CSC)s1)C(C)C ZINC000816490310 631992621 /nfs/dbraw/zinc/99/26/21/631992621.db2.gz RJYQWCFCAZIZJE-UHFFFAOYSA-N 1 2 256.440 3.403 20 30 CGEDLO C=CC[N@H+](Cc1ncc(CSC)s1)C(C)C ZINC000816490310 631992627 /nfs/dbraw/zinc/99/26/27/631992627.db2.gz RJYQWCFCAZIZJE-UHFFFAOYSA-N 1 2 256.440 3.403 20 30 CGEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(Cl)n1 ZINC000816631815 632026334 /nfs/dbraw/zinc/02/63/34/632026334.db2.gz GFIZKNXPYLDRBX-UHFFFAOYSA-N 1 2 251.761 3.025 20 30 CGEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)cc(Cl)n1 ZINC000816631815 632026342 /nfs/dbraw/zinc/02/63/42/632026342.db2.gz GFIZKNXPYLDRBX-UHFFFAOYSA-N 1 2 251.761 3.025 20 30 CGEDLO CCCNc1cc(NCC2CCC(C#N)CC2)nc[nH+]1 ZINC000865757615 632880995 /nfs/dbraw/zinc/88/09/95/632880995.db2.gz VHJAVDYANBJYKH-UHFFFAOYSA-N 1 2 273.384 3.040 20 30 CGEDLO CCCNc1cc(NCC2CCC(C#N)CC2)[nH+]cn1 ZINC000865757615 632880997 /nfs/dbraw/zinc/88/09/97/632880997.db2.gz VHJAVDYANBJYKH-UHFFFAOYSA-N 1 2 273.384 3.040 20 30 CGEDLO CC(C)c1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)on1 ZINC000866267863 633053394 /nfs/dbraw/zinc/05/33/94/633053394.db2.gz XCXDIWHYHXLHEK-NSHDSACASA-N 1 2 285.347 3.226 20 30 CGEDLO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(C#N)c1O ZINC000866282968 633064361 /nfs/dbraw/zinc/06/43/61/633064361.db2.gz SYWNFAOSWJFYHU-CHWSQXEVSA-N 1 2 281.359 3.113 20 30 CGEDLO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1cccc(C#N)c1O ZINC000866283722 633064560 /nfs/dbraw/zinc/06/45/60/633064560.db2.gz ACDZGYMSQZTLFT-ABAIWWIYSA-N 1 2 276.405 3.200 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(C#N)c1O ZINC000866338150 633086294 /nfs/dbraw/zinc/08/62/94/633086294.db2.gz YAXSXAJONRUAJE-BXUZGUMPSA-N 1 2 288.391 3.261 20 30 CGEDLO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000866356385 633097313 /nfs/dbraw/zinc/09/73/13/633097313.db2.gz DBTUWKVGHFFJLV-SECBINFHSA-N 1 2 284.281 3.257 20 30 CGEDLO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(C#N)c1O ZINC000866359370 633100094 /nfs/dbraw/zinc/10/00/94/633100094.db2.gz PPRQPCKUCXNSIX-OCCSQVGLSA-N 1 2 294.354 3.091 20 30 CGEDLO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866359199 633100423 /nfs/dbraw/zinc/10/04/23/633100423.db2.gz OHPRXNCTMDVYCL-UONOGXRCSA-N 1 2 289.423 3.035 20 30 CGEDLO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(C#N)c1O ZINC000866367108 633105097 /nfs/dbraw/zinc/10/50/97/633105097.db2.gz FVYVQTBIMWLLEQ-JQWIXIFHSA-N 1 2 280.318 3.350 20 30 CGEDLO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(C#N)c1O ZINC000866382116 633113233 /nfs/dbraw/zinc/11/32/33/633113233.db2.gz SXQBRSWMWSHHLN-AUZPSNTRSA-N 1 2 256.349 3.103 20 30 CGEDLO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866385969 633114757 /nfs/dbraw/zinc/11/47/57/633114757.db2.gz USZLICHGCPIFMR-WFASDCNBSA-N 1 2 288.391 3.120 20 30 CGEDLO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cccc(C#N)c1O ZINC000866389662 633117032 /nfs/dbraw/zinc/11/70/32/633117032.db2.gz HUVOXECMHWKXEY-IINYFYTJSA-N 1 2 280.318 3.350 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc2c(ccnc2Cl)o1 ZINC000876563389 634858907 /nfs/dbraw/zinc/85/89/07/634858907.db2.gz FSPIWSUQKXHNEG-UHFFFAOYSA-N 1 2 263.728 3.217 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc2c(ccnc2Cl)o1 ZINC000876563389 634858913 /nfs/dbraw/zinc/85/89/13/634858913.db2.gz FSPIWSUQKXHNEG-UHFFFAOYSA-N 1 2 263.728 3.217 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1CCC)c1ccc(Cl)cc1 ZINC000825948400 633391984 /nfs/dbraw/zinc/39/19/84/633391984.db2.gz ARSHERSYTRMTRX-INIZCTEOSA-N 1 2 287.794 3.411 20 30 CGEDLO C=CCC1(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCC1 ZINC000826704219 633427288 /nfs/dbraw/zinc/42/72/88/633427288.db2.gz QEVXNIWTANYHKR-INIZCTEOSA-N 1 2 284.403 3.036 20 30 CGEDLO C=CCC1(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCC1 ZINC000826704219 633427291 /nfs/dbraw/zinc/42/72/91/633427291.db2.gz QEVXNIWTANYHKR-INIZCTEOSA-N 1 2 284.403 3.036 20 30 CGEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C#N)cc1F ZINC000828790554 633653912 /nfs/dbraw/zinc/65/39/12/633653912.db2.gz GJKQKLCLGMPLNQ-NSHDSACASA-N 1 2 257.312 3.042 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(F)F ZINC000834828356 634249266 /nfs/dbraw/zinc/24/92/66/634249266.db2.gz RWVKMCUJXBVWPH-GXFFZTMASA-N 1 2 268.307 3.283 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)C(F)F ZINC000834828357 634249721 /nfs/dbraw/zinc/24/97/21/634249721.db2.gz RWVKMCUJXBVWPH-MFKMUULPSA-N 1 2 268.307 3.283 20 30 CGEDLO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(F)cc(F)c1O ZINC000834880422 634264793 /nfs/dbraw/zinc/26/47/93/634264793.db2.gz ZGBLOGSUJKYRQE-NHCYSSNCSA-N 1 2 280.318 3.403 20 30 CGEDLO CC1(C)CCc2onc(C[NH2+]Cc3ccc(C#N)cc3)c2C1 ZINC000873174869 634271195 /nfs/dbraw/zinc/27/11/95/634271195.db2.gz AEPLAYHWCDYZSM-UHFFFAOYSA-N 1 2 295.386 3.351 20 30 CGEDLO O=[N+]([O-])c1ccc(N[NH2+]C=C2CC2(F)F)c(Cl)c1 ZINC000834953537 634293488 /nfs/dbraw/zinc/29/34/88/634293488.db2.gz AYQLCNNHHIAKIW-LURJTMIESA-N 1 2 275.642 3.301 20 30 CGEDLO CCOc1cc(F)cc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000876617632 634868738 /nfs/dbraw/zinc/86/87/38/634868738.db2.gz RBMQJXYCOVPASD-GFCCVEGCSA-N 1 2 264.344 3.206 20 30 CGEDLO CCOc1cc(F)cc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000876617632 634868742 /nfs/dbraw/zinc/86/87/42/634868742.db2.gz RBMQJXYCOVPASD-GFCCVEGCSA-N 1 2 264.344 3.206 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876616846 634869212 /nfs/dbraw/zinc/86/92/12/634869212.db2.gz BOFPHVZGSPNHGY-VIFPVBQESA-N 1 2 263.728 3.073 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876616846 634869214 /nfs/dbraw/zinc/86/92/14/634869214.db2.gz BOFPHVZGSPNHGY-VIFPVBQESA-N 1 2 263.728 3.073 20 30 CGEDLO C#C[C@@H](NCc1[nH+]cc(C)c(OC)c1C)c1ccc(F)cc1 ZINC000877543855 635081820 /nfs/dbraw/zinc/08/18/20/635081820.db2.gz IEENWXZMMDGEGC-MRXNPFEDSA-N 1 2 298.361 3.310 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(F)cc1 ZINC000877544699 635082062 /nfs/dbraw/zinc/08/20/62/635082062.db2.gz UTMDSZIUKLONSM-SJCJKPOMSA-N 1 2 283.350 3.258 20 30 CGEDLO C=C(Cl)C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(=O)OCC ZINC000877672074 635141523 /nfs/dbraw/zinc/14/15/23/635141523.db2.gz VTSJSXPKGHUSMR-KOLCDFICSA-N 1 2 295.757 3.084 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/CCCOC2CCCC2)c1 ZINC000126701045 635188451 /nfs/dbraw/zinc/18/84/51/635188451.db2.gz UIDSDLCNXBFUPK-SFQUDFHCSA-N 1 2 277.364 3.169 20 30 CGEDLO CCc1cccc(C)c1N=NCC(C)(C)[NH+]1CCOCC1 ZINC000841637997 635205162 /nfs/dbraw/zinc/20/51/62/635205162.db2.gz ZJFRRHBVLWDRSP-UHFFFAOYSA-N 1 2 289.423 3.066 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000878698821 635607911 /nfs/dbraw/zinc/60/79/11/635607911.db2.gz IFLLDBNKQGJQEW-ZBFHGGJFSA-N 1 2 287.407 3.018 20 30 CGEDLO CC[C@H](CC#N)[NH2+][C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000878698815 635608384 /nfs/dbraw/zinc/60/83/84/635608384.db2.gz IFLLDBNKQGJQEW-GDBMZVCRSA-N 1 2 287.407 3.018 20 30 CGEDLO C=C(Br)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000879004084 635678062 /nfs/dbraw/zinc/67/80/62/635678062.db2.gz GNXMEKZUHPGEGN-UHFFFAOYSA-N 1 2 299.187 3.309 20 30 CGEDLO C=CCCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844534616 635925167 /nfs/dbraw/zinc/92/51/67/635925167.db2.gz LSAAEGTWDYFJSW-CQSZACIVSA-N 1 2 263.385 3.087 20 30 CGEDLO C=C[C@H](C)ON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000844622024 635944783 /nfs/dbraw/zinc/94/47/83/635944783.db2.gz SIADRUXERUJNSE-AWEZNQCLSA-N 1 2 287.407 3.300 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000847022793 636314301 /nfs/dbraw/zinc/31/43/01/636314301.db2.gz XZNFSMITMFRJHV-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000847022793 636314303 /nfs/dbraw/zinc/31/43/03/636314303.db2.gz XZNFSMITMFRJHV-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@@H]1CCCOC1 ZINC000883352725 636695322 /nfs/dbraw/zinc/69/53/22/636695322.db2.gz GVWMXKWSPMUKPL-XPKDYRNWSA-N 1 2 288.391 3.120 20 30 CGEDLO N#CCC[N@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1ccccn1 ZINC000886033273 637376766 /nfs/dbraw/zinc/37/67/66/637376766.db2.gz SEUUSVXWULWLRI-WBVHZDCISA-N 1 2 269.392 3.233 20 30 CGEDLO N#CCC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1ccccn1 ZINC000886033273 637376773 /nfs/dbraw/zinc/37/67/73/637376773.db2.gz SEUUSVXWULWLRI-WBVHZDCISA-N 1 2 269.392 3.233 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000852319462 637633069 /nfs/dbraw/zinc/63/30/69/637633069.db2.gz NGSYXQTXLQWVJJ-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000852319462 637633088 /nfs/dbraw/zinc/63/30/88/637633088.db2.gz NGSYXQTXLQWVJJ-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO CSc1ccc(C[NH2+][C@H](C)c2cc(C)on2)cc1C#N ZINC000886689838 637654133 /nfs/dbraw/zinc/65/41/33/637654133.db2.gz ITOGCFOXZKXBET-LLVKDONJSA-N 1 2 287.388 3.427 20 30 CGEDLO C#CCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852478362 637659578 /nfs/dbraw/zinc/65/95/78/637659578.db2.gz TYUFJCNQUSOGJD-NSHDSACASA-N 1 2 283.297 3.046 20 30 CGEDLO C#CCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852478362 637659589 /nfs/dbraw/zinc/65/95/89/637659589.db2.gz TYUFJCNQUSOGJD-NSHDSACASA-N 1 2 283.297 3.046 20 30 CGEDLO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1F)=C1CC1(F)F ZINC000853396311 637834804 /nfs/dbraw/zinc/83/48/04/637834804.db2.gz FFPJWSXTYKNIFH-MRVPVSSYSA-N 1 2 273.214 3.177 20 30 CGEDLO CCCC(C#N)(CCC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000889453558 638031963 /nfs/dbraw/zinc/03/19/63/638031963.db2.gz SGTNYNHTRPXBQT-UHFFFAOYSA-N 1 2 298.390 3.235 20 30 CGEDLO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc(C#N)c1O ZINC000926459980 638773564 /nfs/dbraw/zinc/77/35/64/638773564.db2.gz SVGNENIVRHRJBJ-NVXWUHKLSA-N 1 2 288.391 3.120 20 30 CGEDLO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C#N)c1O ZINC000926514450 638780232 /nfs/dbraw/zinc/78/02/32/638780232.db2.gz ZPRVVROMIFYBPF-DUVNUKRYSA-N 1 2 283.375 3.387 20 30 CGEDLO CC[C@H]([NH2+]CCC1(COC)CC1)c1cccc(C#N)c1O ZINC000926630467 638792282 /nfs/dbraw/zinc/79/22/82/638792282.db2.gz WLRVGOINBJBHFF-HNNXBMFYSA-N 1 2 288.391 3.121 20 30 CGEDLO C=C/C=C\CC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926842187 638816812 /nfs/dbraw/zinc/81/68/12/638816812.db2.gz BWDYQUOWICAOCE-IYKSTZQJSA-N 1 2 256.349 3.437 20 30 CGEDLO Cc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1C#N ZINC000926960236 638829271 /nfs/dbraw/zinc/82/92/71/638829271.db2.gz FWYORPUPBAXCMT-SJLPKXTDSA-N 1 2 296.345 3.428 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929286212 638915674 /nfs/dbraw/zinc/91/56/74/638915674.db2.gz SCNRUPXPSXCJFU-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929286212 638915676 /nfs/dbraw/zinc/91/56/76/638915676.db2.gz SCNRUPXPSXCJFU-NSHDSACASA-N 1 2 287.313 3.424 20 30 CGEDLO CC(F)(F)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000930134611 638977221 /nfs/dbraw/zinc/97/72/21/638977221.db2.gz IQTNOGNNLUMNEO-OAHLLOKOSA-N 1 2 294.345 3.367 20 30 CGEDLO CC(F)(F)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000930134611 638977223 /nfs/dbraw/zinc/97/72/23/638977223.db2.gz IQTNOGNNLUMNEO-OAHLLOKOSA-N 1 2 294.345 3.367 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC2(CCC2)O1 ZINC000930824288 639074220 /nfs/dbraw/zinc/07/42/20/639074220.db2.gz COBHNXAEWJLULB-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC2(CCC2)O1 ZINC000930824288 639074225 /nfs/dbraw/zinc/07/42/25/639074225.db2.gz COBHNXAEWJLULB-GFCCVEGCSA-N 1 2 290.794 3.355 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000930866893 639079458 /nfs/dbraw/zinc/07/94/58/639079458.db2.gz NBYUGLKFPPUSHZ-INIZCTEOSA-N 1 2 282.387 3.366 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000930866893 639079459 /nfs/dbraw/zinc/07/94/59/639079459.db2.gz NBYUGLKFPPUSHZ-INIZCTEOSA-N 1 2 282.387 3.366 20 30 CGEDLO N#CC1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000859104644 639080555 /nfs/dbraw/zinc/08/05/55/639080555.db2.gz GFZWAKMFZIHHFM-UHFFFAOYSA-N 1 2 285.322 3.216 20 30 CGEDLO C[C@H](c1csnn1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608269 639468206 /nfs/dbraw/zinc/46/82/06/639468206.db2.gz XHQUUOGIYDXGNE-GFCCVEGCSA-N 1 2 298.415 3.350 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)cc1 ZINC000933631067 639472475 /nfs/dbraw/zinc/47/24/75/639472475.db2.gz ZHITXUXODDGRKY-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)cc1 ZINC000933631067 639472478 /nfs/dbraw/zinc/47/24/78/639472478.db2.gz ZHITXUXODDGRKY-INIZCTEOSA-N 1 2 284.384 3.193 20 30 CGEDLO CCc1noc(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933778550 639489057 /nfs/dbraw/zinc/48/90/57/639489057.db2.gz QSDWJMQQKJQWQQ-UHFFFAOYSA-N 1 2 275.377 3.111 20 30 CGEDLO CCc1noc(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933778550 639489063 /nfs/dbraw/zinc/48/90/63/639489063.db2.gz QSDWJMQQKJQWQQ-UHFFFAOYSA-N 1 2 275.377 3.111 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000934469844 639616159 /nfs/dbraw/zinc/61/61/59/639616159.db2.gz IGTVOFWAUNSZCR-RYUDHWBXSA-N 1 2 278.783 3.317 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000934469844 639616165 /nfs/dbraw/zinc/61/61/65/639616165.db2.gz IGTVOFWAUNSZCR-RYUDHWBXSA-N 1 2 278.783 3.317 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935250898 639774732 /nfs/dbraw/zinc/77/47/32/639774732.db2.gz JZDKPYPBBPCCHB-NSHDSACASA-N 1 2 257.337 3.038 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)s2)cc1 ZINC000048610516 640061788 /nfs/dbraw/zinc/06/17/88/640061788.db2.gz VKKAMXAQZUBBMX-UHFFFAOYSA-N 1 2 296.779 3.247 20 30 CGEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1 ZINC000254747398 640914644 /nfs/dbraw/zinc/91/46/44/640914644.db2.gz CRRPSFRXTYVPDC-UHFFFAOYSA-N 1 2 270.292 3.013 20 30 aggregator CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007022118 640937435 /nfs/dbraw/zinc/93/74/35/640937435.db2.gz ULVKSIRACYPHJP-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007022118 640937438 /nfs/dbraw/zinc/93/74/38/640937438.db2.gz ULVKSIRACYPHJP-LBPRGKRZSA-N 1 2 298.858 3.002 20 30 CGEDLO N#Cc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001250583945 805706985 /nfs/dbraw/zinc/70/69/85/805706985.db2.gz DSGYFYHLBUHMJP-UHFFFAOYSA-N 1 2 259.312 3.470 20 30 CGEDLO C=CCN(c1[nH+]ccc(C)c1NC(C)=O)C(C)(C)C ZINC001157585756 805840608 /nfs/dbraw/zinc/84/06/08/805840608.db2.gz RGBSXJGWFIZLML-UHFFFAOYSA-N 1 2 261.369 3.139 20 30 CGEDLO N#CCc1cc[nH+]c(N[C@H](c2ccccn2)C(F)(F)F)c1 ZINC001157684906 805851459 /nfs/dbraw/zinc/85/14/59/805851459.db2.gz STQRDZSFJGUAAZ-CYBMUJFWSA-N 1 2 292.264 3.258 20 30 CGEDLO CC(C)(S)CNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001159268248 806070618 /nfs/dbraw/zinc/07/06/18/806070618.db2.gz PWWABYMYYVWCDR-UHFFFAOYSA-N 1 2 272.377 3.231 20 30 CGEDLO C=CCCCCCC[C@H](O)CNc1cc([C@@H](C)O)cc[nH+]1 ZINC001253233576 806186697 /nfs/dbraw/zinc/18/66/97/806186697.db2.gz IMKUNQDRAAXOFM-ZBFHGGJFSA-N 1 2 292.423 3.434 20 30 CGEDLO N#CCc1cc[nH+]c(NCCc2cc(F)cc(F)c2)c1 ZINC001160570297 806284554 /nfs/dbraw/zinc/28/45/54/806284554.db2.gz VAVKSFQBRGCDMH-UHFFFAOYSA-N 1 2 273.286 3.080 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(NCc3cc4ccccn4n3)c2c1 ZINC001162284462 806547641 /nfs/dbraw/zinc/54/76/41/806547641.db2.gz RIYUFRNWFOCXTB-UHFFFAOYSA-N 1 2 299.337 3.366 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H]1COc2cc(Cl)ccc21 ZINC001255162667 806560723 /nfs/dbraw/zinc/56/07/23/806560723.db2.gz WESLNYGWPIIZRW-CMPLNLGQSA-N 1 2 250.729 3.055 20 30 CGEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3C[C@]34CCCOC4)c2c1 ZINC001162371306 806568424 /nfs/dbraw/zinc/56/84/24/806568424.db2.gz QOSNQSOIGGOFRA-WBVHZDCISA-N 1 2 279.343 3.087 20 30 CGEDLO N#CC1(CNc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC001162412063 806581747 /nfs/dbraw/zinc/58/17/47/806581747.db2.gz KCYCWBFBQXJOLL-UHFFFAOYSA-N 1 2 266.348 3.037 20 30 CGEDLO Cc1cc(Cl)nc(NCc2ccc3[nH+]ccn3c2)c1C#N ZINC001163137050 806704601 /nfs/dbraw/zinc/70/46/01/806704601.db2.gz XTPSZVASNUWTJB-UHFFFAOYSA-N 1 2 297.749 3.175 20 30 CGEDLO Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001255787421 806750494 /nfs/dbraw/zinc/75/04/94/806750494.db2.gz KGZGFESZXVWBBI-CZUORRHYSA-N 1 2 287.428 3.200 20 30 CGEDLO Cc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001255787421 806750499 /nfs/dbraw/zinc/75/04/99/806750499.db2.gz KGZGFESZXVWBBI-CZUORRHYSA-N 1 2 287.428 3.200 20 30 CGEDLO C=CC[C@@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(=O)OCC ZINC001255854903 806770931 /nfs/dbraw/zinc/77/09/31/806770931.db2.gz WZIPOHDRQZROEE-OFLPRAFFSA-N 1 2 287.403 3.338 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000721443639 800289644 /nfs/dbraw/zinc/28/96/44/800289644.db2.gz YBTBHDDJASGQDU-GFCCVEGCSA-N 1 2 286.322 3.038 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000721443639 800289646 /nfs/dbraw/zinc/28/96/46/800289646.db2.gz YBTBHDDJASGQDU-GFCCVEGCSA-N 1 2 286.322 3.038 20 30 CGEDLO N#Cc1ccc(C[N@H+](Cc2ccoc2)C2CC2)c(F)c1 ZINC000723740944 800337701 /nfs/dbraw/zinc/33/77/01/800337701.db2.gz FIZPWRFZGLTDAA-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO N#Cc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)c(F)c1 ZINC000723740944 800337706 /nfs/dbraw/zinc/33/77/06/800337706.db2.gz FIZPWRFZGLTDAA-UHFFFAOYSA-N 1 2 270.307 3.455 20 30 CGEDLO C=CC1CC[NH+](Cc2nc(C(C)C)ns2)CC1 ZINC000929617108 800648514 /nfs/dbraw/zinc/64/85/14/800648514.db2.gz CZSMMYSRQTZTII-UHFFFAOYSA-N 1 2 251.399 3.060 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001027725766 800817505 /nfs/dbraw/zinc/81/75/05/800817505.db2.gz JUWVARFXNZDOAY-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001027725766 800817509 /nfs/dbraw/zinc/81/75/09/800817509.db2.gz JUWVARFXNZDOAY-LBPRGKRZSA-N 1 2 298.839 3.003 20 30 CGEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCCCCCC2)C1 ZINC001031835936 800917593 /nfs/dbraw/zinc/91/75/93/800917593.db2.gz JWYOTNXRHKRUNQ-UHFFFAOYSA-N 1 2 298.858 3.147 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108812 800953702 /nfs/dbraw/zinc/95/37/02/800953702.db2.gz UVCILFCRAFKAEZ-HOCLYGCPSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108812 800953709 /nfs/dbraw/zinc/95/37/09/800953709.db2.gz UVCILFCRAFKAEZ-HOCLYGCPSA-N 1 2 296.842 3.018 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385176 800963127 /nfs/dbraw/zinc/96/31/27/800963127.db2.gz QMRSVWWOPYUDHN-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033385176 800963133 /nfs/dbraw/zinc/96/31/33/800963133.db2.gz QMRSVWWOPYUDHN-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949084 800990999 /nfs/dbraw/zinc/99/09/99/800990999.db2.gz CJSTYZWOHWLNRE-QLFBSQMISA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033949084 800991007 /nfs/dbraw/zinc/99/10/07/800991007.db2.gz CJSTYZWOHWLNRE-QLFBSQMISA-N 1 2 298.858 3.098 20 30 CGEDLO CC#CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039052483 801141411 /nfs/dbraw/zinc/14/14/11/801141411.db2.gz AXZJKIZMRDHESR-QAPCUYQASA-N 1 2 298.430 3.028 20 30 CGEDLO CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039052483 801141414 /nfs/dbraw/zinc/14/14/14/801141414.db2.gz AXZJKIZMRDHESR-QAPCUYQASA-N 1 2 298.430 3.028 20 30 CGEDLO C=C1CCC(C(=O)N(C)C2C[NH+](Cc3ccccc3)C2)CC1 ZINC001043751250 801223039 /nfs/dbraw/zinc/22/30/39/801223039.db2.gz ZBLKKHBXPLVJBN-UHFFFAOYSA-N 1 2 298.430 3.076 20 30 CGEDLO C[C@H]1CCN(c2cc(CC#N)cc[nH+]2)CCC1(F)F ZINC001164115300 806894766 /nfs/dbraw/zinc/89/47/66/806894766.db2.gz LDUURIXQRPCUIW-NSHDSACASA-N 1 2 265.307 3.019 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754580 801653383 /nfs/dbraw/zinc/65/33/83/801653383.db2.gz QLZCXZGTSADWJP-OSAQELSMSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754580 801653387 /nfs/dbraw/zinc/65/33/87/801653387.db2.gz QLZCXZGTSADWJP-OSAQELSMSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)C)C2 ZINC001111053254 802153864 /nfs/dbraw/zinc/15/38/64/802153864.db2.gz WCNSBXIOUTWEFX-KFWWJZLASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)C)C2 ZINC001111053254 802153870 /nfs/dbraw/zinc/15/38/70/802153870.db2.gz WCNSBXIOUTWEFX-KFWWJZLASA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001113667063 802229822 /nfs/dbraw/zinc/22/98/22/802229822.db2.gz LZAIHZDDFOPFQQ-UHFFFAOYSA-N 1 2 280.456 3.169 20 30 CGEDLO C[C@@H](C#N)c1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001243904299 803068135 /nfs/dbraw/zinc/06/81/35/803068135.db2.gz UHSRZRFDRKLMGP-AWEZNQCLSA-N 1 2 293.370 3.212 20 30 CGEDLO C[Si](C)(C)C#Cc1cccnc1C1=C[NH2+]CCC1 ZINC001243950168 803096261 /nfs/dbraw/zinc/09/62/61/803096261.db2.gz XCTATXKPWSOOQI-UHFFFAOYSA-N 1 2 256.425 3.035 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131918787 803356855 /nfs/dbraw/zinc/35/68/55/803356855.db2.gz SPDCELKTZJMHFZ-QWAJQTJBSA-N 1 2 284.831 3.064 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131918787 803356860 /nfs/dbraw/zinc/35/68/60/803356860.db2.gz SPDCELKTZJMHFZ-QWAJQTJBSA-N 1 2 284.831 3.064 20 30 CGEDLO C=CCN(CC=C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001135409132 803594562 /nfs/dbraw/zinc/59/45/62/803594562.db2.gz QMNVKDNAMCRWET-MRXNPFEDSA-N 1 2 295.386 3.132 20 30 CGEDLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)[nH]1 ZINC001137373754 803724755 /nfs/dbraw/zinc/72/47/55/803724755.db2.gz LWXIDBZJTFYOEE-CYBMUJFWSA-N 1 2 290.432 3.086 20 30 CGEDLO CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)[nH]1 ZINC001137373754 803724759 /nfs/dbraw/zinc/72/47/59/803724759.db2.gz LWXIDBZJTFYOEE-CYBMUJFWSA-N 1 2 290.432 3.086 20 30 CGEDLO Cc1cc(-c2ccc(C#C[Si](C)(C)C)cn2)c[nH+]c1N ZINC001245537061 803794762 /nfs/dbraw/zinc/79/47/62/803794762.db2.gz XAOVCMRNDDEPTF-UHFFFAOYSA-N 1 2 281.435 3.263 20 30 CGEDLO C#CCOc1ccc(C[N@@H+]2Cc3cccc(OC)c3C2)cc1 ZINC001138560377 803967862 /nfs/dbraw/zinc/96/78/62/803967862.db2.gz UKDUNLYPYQCFTP-UHFFFAOYSA-N 1 2 293.366 3.223 20 30 CGEDLO C#CCOc1ccc(C[N@H+]2Cc3cccc(OC)c3C2)cc1 ZINC001138560377 803967868 /nfs/dbraw/zinc/96/78/68/803967868.db2.gz UKDUNLYPYQCFTP-UHFFFAOYSA-N 1 2 293.366 3.223 20 30 CGEDLO CCC[N@H+](CCC#N)Cc1cnc(Cl)c(C)c1 ZINC001139545127 804203527 /nfs/dbraw/zinc/20/35/27/804203527.db2.gz UJGDCSMEPNLUOE-UHFFFAOYSA-N 1 2 251.761 3.169 20 30 CGEDLO CCC[N@@H+](CCC#N)Cc1cnc(Cl)c(C)c1 ZINC001139545127 804203534 /nfs/dbraw/zinc/20/35/34/804203534.db2.gz UJGDCSMEPNLUOE-UHFFFAOYSA-N 1 2 251.761 3.169 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cccnc2)cc1 ZINC001139644176 804242211 /nfs/dbraw/zinc/24/22/11/804242211.db2.gz XUJGFFDXJQCAMP-UHFFFAOYSA-N 1 2 265.360 3.484 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cccnc2)cc1 ZINC001139644176 804242218 /nfs/dbraw/zinc/24/22/18/804242218.db2.gz XUJGFFDXJQCAMP-UHFFFAOYSA-N 1 2 265.360 3.484 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)nc1)Cc1ccccc1Cl ZINC001140544126 804458860 /nfs/dbraw/zinc/45/88/60/804458860.db2.gz YUUPBCMJNBRESD-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)nc1)Cc1ccccc1Cl ZINC001140544126 804458865 /nfs/dbraw/zinc/45/88/65/804458865.db2.gz YUUPBCMJNBRESD-UHFFFAOYSA-N 1 2 271.751 3.239 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Cl)C[C@@H]1F ZINC001140599667 804471542 /nfs/dbraw/zinc/47/15/42/804471542.db2.gz MGFAFBDLIATTMJ-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)C[C@@H]1F ZINC001140599667 804471546 /nfs/dbraw/zinc/47/15/46/804471546.db2.gz MGFAFBDLIATTMJ-RNCFNFMXSA-N 1 2 252.720 3.001 20 30 CGEDLO N#Cc1c(F)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1F ZINC001140753698 804505806 /nfs/dbraw/zinc/50/58/06/804505806.db2.gz KSIJOWUVFKEIFD-SECBINFHSA-N 1 2 290.235 3.221 20 30 CGEDLO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1F ZINC001140753698 804505808 /nfs/dbraw/zinc/50/58/08/804505808.db2.gz KSIJOWUVFKEIFD-SECBINFHSA-N 1 2 290.235 3.221 20 30 CGEDLO COc1ccc(C[N@H+](CCC#N)Cc2ccccc2)cc1N ZINC001140894678 804545288 /nfs/dbraw/zinc/54/52/88/804545288.db2.gz FEXPZDYZAAYKJQ-UHFFFAOYSA-N 1 2 295.386 3.193 20 30 CGEDLO COc1ccc(C[N@@H+](CCC#N)Cc2ccccc2)cc1N ZINC001140894678 804545291 /nfs/dbraw/zinc/54/52/91/804545291.db2.gz FEXPZDYZAAYKJQ-UHFFFAOYSA-N 1 2 295.386 3.193 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001143560683 804865904 /nfs/dbraw/zinc/86/59/04/804865904.db2.gz BYMBBEKPXJQKHS-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143560683 804865911 /nfs/dbraw/zinc/86/59/11/804865911.db2.gz BYMBBEKPXJQKHS-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001143731255 804889151 /nfs/dbraw/zinc/88/91/51/804889151.db2.gz QAZLLEBDWGCVII-MJVIPROJSA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001143731255 804889159 /nfs/dbraw/zinc/88/91/59/804889159.db2.gz QAZLLEBDWGCVII-MJVIPROJSA-N 1 2 264.731 3.144 20 30 CGEDLO N#Cc1ccc2cc(C[N@@H+]3CCc4occc4C3)[nH]c2c1 ZINC001249430051 805148233 /nfs/dbraw/zinc/14/82/33/805148233.db2.gz BKBPYFDKGRTYKV-UHFFFAOYSA-N 1 2 277.327 3.191 20 30 CGEDLO N#Cc1ccc2cc(C[N@H+]3CCc4occc4C3)[nH]c2c1 ZINC001249430051 805148240 /nfs/dbraw/zinc/14/82/40/805148240.db2.gz BKBPYFDKGRTYKV-UHFFFAOYSA-N 1 2 277.327 3.191 20 30 CGEDLO N#CC1(c2cc[nH+]c(NCCc3ccsc3)c2)CC1 ZINC001166791616 807100327 /nfs/dbraw/zinc/10/03/27/807100327.db2.gz NCZUDNTVVHSAGU-UHFFFAOYSA-N 1 2 269.373 3.353 20 30 CGEDLO N#Cc1c[nH]c2cc[nH+]c(N3CC4(C3)CCCCC4)c12 ZINC001167179757 807163400 /nfs/dbraw/zinc/16/34/00/807163400.db2.gz HLVOERAYQZYPLJ-UHFFFAOYSA-N 1 2 266.348 3.205 20 30 CGEDLO CC[C@@H](C)Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001167999896 807295843 /nfs/dbraw/zinc/29/58/43/807295843.db2.gz OBRAMBPNYUEJCC-UPYQCXTASA-N 1 2 295.452 3.482 20 30 CGEDLO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258088265 807300108 /nfs/dbraw/zinc/30/01/08/807300108.db2.gz KRVGZRQGXGVOFM-GXTWGEPZSA-N 1 2 265.422 3.395 20 30 CGEDLO CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258088265 807300117 /nfs/dbraw/zinc/30/01/17/807300117.db2.gz KRVGZRQGXGVOFM-GXTWGEPZSA-N 1 2 265.422 3.395 20 30 CGEDLO COC(=O)C1(C)CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001168756161 807506763 /nfs/dbraw/zinc/50/67/63/807506763.db2.gz YLRQTOVLLHRIOR-UHFFFAOYSA-N 1 2 292.423 3.314 20 30 CGEDLO CC(C)(C)Oc1cc[nH+]c(NC=CC(=O)C(F)(F)F)c1 ZINC001169480460 807649617 /nfs/dbraw/zinc/64/96/17/807649617.db2.gz JUNIXQSENNAJKP-FNORWQNLSA-N 1 2 288.269 3.316 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001261783879 807787846 /nfs/dbraw/zinc/78/78/46/807787846.db2.gz YKOXVZZWUVKNBM-INIZCTEOSA-N 1 2 297.402 3.106 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001261783879 807787850 /nfs/dbraw/zinc/78/78/50/807787850.db2.gz YKOXVZZWUVKNBM-INIZCTEOSA-N 1 2 297.402 3.106 20 30 CGEDLO COc1cccc2[nH+]c(NCC(C)(C)S)ccc21 ZINC001170302457 807822824 /nfs/dbraw/zinc/82/28/24/807822824.db2.gz LYOOKQXKBVIKBO-UHFFFAOYSA-N 1 2 262.378 3.364 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1C1=CC[C@H](C#N)CC1 ZINC001212861010 815163083 /nfs/dbraw/zinc/16/30/83/815163083.db2.gz LURHWFYAKJCAGS-NSHDSACASA-N 1 2 252.321 3.092 20 30 CGEDLO C=CCc1cc(C)c[nH+]c1NC1(CO)Cc2ccccc2C1 ZINC001171202913 808008872 /nfs/dbraw/zinc/00/88/72/808008872.db2.gz IUKWHEQLHLAPPV-UHFFFAOYSA-N 1 2 294.398 3.060 20 30 CGEDLO N#CCc1ccc[nH+]c1NCC1(c2ccccc2)CC1 ZINC001171457564 808063057 /nfs/dbraw/zinc/06/30/57/808063057.db2.gz HANQDJVLSZTYSM-UHFFFAOYSA-N 1 2 263.344 3.291 20 30 CGEDLO CC[C@@H](C)OCC[C@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172323657 808233116 /nfs/dbraw/zinc/23/31/16/808233116.db2.gz CSZNCWNXMZBSOR-UONOGXRCSA-N 1 2 252.402 3.396 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001266461346 808268382 /nfs/dbraw/zinc/26/83/82/808268382.db2.gz NUFRMNAOFXCDJT-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001266461346 808268388 /nfs/dbraw/zinc/26/83/88/808268388.db2.gz NUFRMNAOFXCDJT-GXTWGEPZSA-N 1 2 286.847 3.146 20 30 CGEDLO CC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172404132 808291133 /nfs/dbraw/zinc/29/11/33/808291133.db2.gz YXBRCFVTDPGAHS-STQMWFEESA-N 1 2 253.411 3.085 20 30 CGEDLO CC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172404132 808291137 /nfs/dbraw/zinc/29/11/37/808291137.db2.gz YXBRCFVTDPGAHS-STQMWFEESA-N 1 2 253.411 3.085 20 30 CGEDLO CCCCCCCC[C@H](CC)N1CC[NH2+]C[C@@H]1C#N ZINC001172505907 808362966 /nfs/dbraw/zinc/36/29/66/808362966.db2.gz XAZJXRJRGFMMSO-HOTGVXAUSA-N 1 2 265.445 3.313 20 30 CGEDLO N#Cc1c(F)cccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213030450 815204574 /nfs/dbraw/zinc/20/45/74/815204574.db2.gz BGBQDFIVDDCRNY-UHFFFAOYSA-N 1 2 252.252 3.317 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001267737699 808481136 /nfs/dbraw/zinc/48/11/36/808481136.db2.gz YWBFMXCIEMDJQY-UONOGXRCSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001267737699 808481141 /nfs/dbraw/zinc/48/11/41/808481141.db2.gz YWBFMXCIEMDJQY-UONOGXRCSA-N 1 2 286.847 3.146 20 30 CGEDLO N#Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c(O)c1 ZINC001174523830 809061462 /nfs/dbraw/zinc/06/14/62/809061462.db2.gz UEWNYMXTLHEYRP-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO C=CC(C)(C)C(=O)N(C)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC001277637579 809086663 /nfs/dbraw/zinc/08/66/63/809086663.db2.gz ZECFJYWMRLAJHY-XFXZXTDPSA-N 1 2 298.430 3.055 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)/C=C(\C)CC)C(C)C ZINC001278904714 809155065 /nfs/dbraw/zinc/15/50/65/809155065.db2.gz RMSUGYLUZIESSD-JLHYYAGUSA-N 1 2 286.847 3.264 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)/C=C(\C)CC)C(C)C ZINC001278904714 809155067 /nfs/dbraw/zinc/15/50/67/809155067.db2.gz RMSUGYLUZIESSD-JLHYYAGUSA-N 1 2 286.847 3.264 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCCC)[C@@H]1C ZINC001284103054 809296985 /nfs/dbraw/zinc/29/69/85/809296985.db2.gz RNENTOYBHLXRSE-UONOGXRCSA-N 1 2 286.847 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCCC)[C@@H]1C ZINC001284103054 809296987 /nfs/dbraw/zinc/29/69/87/809296987.db2.gz RNENTOYBHLXRSE-UONOGXRCSA-N 1 2 286.847 3.288 20 30 CGEDLO CSc1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001175285444 809338839 /nfs/dbraw/zinc/33/88/39/809338839.db2.gz SGEOVYRANMXFHM-UHFFFAOYSA-N 1 2 273.361 3.048 20 30 CGEDLO C=CCCC(C)(C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001287603452 809343707 /nfs/dbraw/zinc/34/37/07/809343707.db2.gz NIQPUOSZQPGEEB-UHFFFAOYSA-N 1 2 285.391 3.365 20 30 CGEDLO COc1cccc(C#N)c1Nc1c[nH+]cc(C)c1C ZINC001213532908 815301047 /nfs/dbraw/zinc/30/10/47/815301047.db2.gz VZIGOFIWHOCAQT-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C#Cc1cccc(Nc2[nH+]cccc2N2CCCC2)c1 ZINC001175973825 809587624 /nfs/dbraw/zinc/58/76/24/809587624.db2.gz FXUNEQCBMBCZDW-UHFFFAOYSA-N 1 2 263.344 3.407 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001177027405 809775767 /nfs/dbraw/zinc/77/57/67/809775767.db2.gz JRPILWZHMYFJAQ-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001177027405 809775772 /nfs/dbraw/zinc/77/57/72/809775772.db2.gz JRPILWZHMYFJAQ-JTQLQIEISA-N 1 2 250.292 3.015 20 30 CGEDLO CCNc1ccccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC001180136468 809977277 /nfs/dbraw/zinc/97/72/77/809977277.db2.gz CWFHDRCSTDZSGG-ZDUSSCGKSA-N 1 2 257.381 3.242 20 30 CGEDLO CCNc1ccccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC001180136468 809977280 /nfs/dbraw/zinc/97/72/80/809977280.db2.gz CWFHDRCSTDZSGG-ZDUSSCGKSA-N 1 2 257.381 3.242 20 30 CGEDLO C#CC[N@@H+](CC)Cc1sc(C)cc1Br ZINC001180279548 809988820 /nfs/dbraw/zinc/98/88/20/809988820.db2.gz BQWHWPMVSMZZOR-UHFFFAOYSA-N 1 2 272.211 3.274 20 30 CGEDLO C#CC[N@H+](CC)Cc1sc(C)cc1Br ZINC001180279548 809988822 /nfs/dbraw/zinc/98/88/22/809988822.db2.gz BQWHWPMVSMZZOR-UHFFFAOYSA-N 1 2 272.211 3.274 20 30 CGEDLO C=CCC[C@H]([NH2+][C@H](C)CCc1ccco1)C(=O)OCC ZINC001181829205 810075596 /nfs/dbraw/zinc/07/55/96/810075596.db2.gz XTDPUKHEPCHESL-HIFRSBDPSA-N 1 2 279.380 3.088 20 30 CGEDLO C=C(C)C[C@H]([NH2+]C[C@@H](CC)c1ccccc1)C(=O)OC ZINC001183314117 810144511 /nfs/dbraw/zinc/14/45/11/810144511.db2.gz WZBWUTQWYOKYOJ-ZBFHGGJFSA-N 1 2 275.392 3.278 20 30 CGEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(C)(C)C)CC2)CC1 ZINC001184214874 810183213 /nfs/dbraw/zinc/18/32/13/810183213.db2.gz PTWJPXURRGGORY-WKILWMFISA-N 1 2 292.467 3.169 20 30 CGEDLO C#Cc1cc(Nc2cc(Cl)c(OC)cc2F)cc[nH+]1 ZINC001214058163 815362597 /nfs/dbraw/zinc/36/25/97/815362597.db2.gz IBWHMCRPXJAXOI-UHFFFAOYSA-N 1 2 276.698 3.030 20 30 CGEDLO C=C(C)C[NH2+][C@@](C)(CCCCCC)C(=O)OCC ZINC001191101285 810675194 /nfs/dbraw/zinc/67/51/94/810675194.db2.gz VUDRWEZAPKRVDE-HNNXBMFYSA-N 1 2 255.402 3.444 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC001196275028 811329953 /nfs/dbraw/zinc/32/99/53/811329953.db2.gz LAJNIHVFDJMRAT-GFCCVEGCSA-N 1 2 264.328 3.341 20 30 CGEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1Cc2ccc(O)cc2C1 ZINC001196275028 811329965 /nfs/dbraw/zinc/32/99/65/811329965.db2.gz LAJNIHVFDJMRAT-GFCCVEGCSA-N 1 2 264.328 3.341 20 30 CGEDLO C[C@]1(C2CC2)COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001198498489 811508487 /nfs/dbraw/zinc/50/84/87/811508487.db2.gz HUUAKSGEPRTOEW-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO C[C@]1(C2CC2)COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001198498489 811508491 /nfs/dbraw/zinc/50/84/91/811508491.db2.gz HUUAKSGEPRTOEW-QGZVFWFLSA-N 1 2 289.806 3.192 20 30 CGEDLO Cc1[nH+]c2ccc(N)cc2n1/C=C/c1ccc(C#N)cc1 ZINC001203305667 812304976 /nfs/dbraw/zinc/30/49/76/812304976.db2.gz NLEPEQLHSVNGLK-CMDGGOBGSA-N 1 2 274.327 3.427 20 30 CGEDLO Cc1ccc(Nc2c(C)cc(C#N)cc2C#N)c(C)[nH+]1 ZINC001203374403 812329938 /nfs/dbraw/zinc/32/99/38/812329938.db2.gz JEULBYQUOMAVCG-UHFFFAOYSA-N 1 2 262.316 3.494 20 30 CGEDLO CNc1ccc(Nc2ccc(N3CCCC3)c(C#N)c2)c[nH+]1 ZINC001203457888 812366646 /nfs/dbraw/zinc/36/66/46/812366646.db2.gz CVMJSPJBUXYSDW-UHFFFAOYSA-N 1 2 293.374 3.339 20 30 CGEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2C(C)(C)C)c1 ZINC001203654622 812417369 /nfs/dbraw/zinc/41/73/69/812417369.db2.gz NHHHNWNDJJMHDJ-UHFFFAOYSA-N 1 2 269.352 3.265 20 30 CGEDLO Cc1c[nH+]c(C)c(-n2cc(C#N)c3ccc(N)cc32)c1 ZINC001203663199 812421200 /nfs/dbraw/zinc/42/12/00/812421200.db2.gz CTZYFFMGQPQTQX-UHFFFAOYSA-N 1 2 262.316 3.096 20 30 CGEDLO CCCCCCC/C=C/C[NH+]1CCN(C(=O)CC)CC1 ZINC001208120251 813697471 /nfs/dbraw/zinc/69/74/71/813697471.db2.gz PHVYVDREXYQXQB-ZHACJKMWSA-N 1 2 280.456 3.457 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001208369325 813758286 /nfs/dbraw/zinc/75/82/86/813758286.db2.gz XMNJPMKVZQKBBK-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001208369325 813758292 /nfs/dbraw/zinc/75/82/92/813758292.db2.gz XMNJPMKVZQKBBK-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO COc1cc(C#N)ccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001209329096 814000417 /nfs/dbraw/zinc/00/04/17/814000417.db2.gz UPEHLKFDHNPACF-UHFFFAOYSA-N 1 2 290.326 3.496 20 30 CGEDLO C=CCCCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001209438503 814039344 /nfs/dbraw/zinc/03/93/44/814039344.db2.gz MKTUKRYORUOHPK-ZDUSSCGKSA-N 1 2 261.356 3.215 20 30 CGEDLO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209433066 814032964 /nfs/dbraw/zinc/03/29/64/814032964.db2.gz PPBWOJJOJYOBCT-UHFFFAOYSA-N 1 2 268.401 3.243 20 30 CGEDLO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209433066 814032962 /nfs/dbraw/zinc/03/29/62/814032962.db2.gz PPBWOJJOJYOBCT-UHFFFAOYSA-N 1 2 268.401 3.243 20 30 CGEDLO C=CCCCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001209438503 814039337 /nfs/dbraw/zinc/03/93/37/814039337.db2.gz MKTUKRYORUOHPK-ZDUSSCGKSA-N 1 2 261.356 3.215 20 30 CGEDLO C=CCCCCCC[N@H+]1CCSC[C@H]1C(=O)OCC ZINC001209441182 814040580 /nfs/dbraw/zinc/04/05/80/814040580.db2.gz UVOLHDACVZILEP-AWEZNQCLSA-N 1 2 285.453 3.103 20 30 CGEDLO C=CCCCCCC[N@@H+]1CCSC[C@H]1C(=O)OCC ZINC001209441182 814040587 /nfs/dbraw/zinc/04/05/87/814040587.db2.gz UVOLHDACVZILEP-AWEZNQCLSA-N 1 2 285.453 3.103 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209754474 814131904 /nfs/dbraw/zinc/13/19/04/814131904.db2.gz CNIGHEKYYLCYIE-NSHDSACASA-N 1 2 288.782 3.342 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209754474 814131908 /nfs/dbraw/zinc/13/19/08/814131908.db2.gz CNIGHEKYYLCYIE-NSHDSACASA-N 1 2 288.782 3.342 20 30 CGEDLO CC[N@H+](C)c1ccc(Nc2cncc(C#N)c2)cc1 ZINC001210090565 814282143 /nfs/dbraw/zinc/28/21/43/814282143.db2.gz BCRVTXGBDRMKBI-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO CC[N@@H+](C)c1ccc(Nc2cncc(C#N)c2)cc1 ZINC001210090565 814282147 /nfs/dbraw/zinc/28/21/47/814282147.db2.gz BCRVTXGBDRMKBI-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO COc1cccc(Nc2c[nH+]c(C)cc2C)c1C#N ZINC001210120915 814298467 /nfs/dbraw/zinc/29/84/67/814298467.db2.gz RRHYJVWPTOSBTM-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO C[C@H]1CC(=O)C=C(c2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001242740167 823117710 /nfs/dbraw/zinc/11/77/10/823117710.db2.gz WVXNHWOCJUQPPY-CYBMUJFWSA-N 1 2 270.376 3.454 20 30 CGEDLO N#Cc1cccc(N)c1Nc1cccc2cc[nH+]cc21 ZINC001210233314 814356361 /nfs/dbraw/zinc/35/63/61/814356361.db2.gz VHGDDYMETHQIHW-UHFFFAOYSA-N 1 2 260.300 3.432 20 30 CGEDLO Cc1[nH+]cc(Nc2c(C#N)oc3ccccc32)cc1N ZINC001210286834 814380565 /nfs/dbraw/zinc/38/05/65/814380565.db2.gz CUHDAMIDWKGFPO-UHFFFAOYSA-N 1 2 264.288 3.334 20 30 CGEDLO CC#Cc1cncc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001211054782 814724929 /nfs/dbraw/zinc/72/49/29/814724929.db2.gz DPGUNHWXGVZSEJ-UHFFFAOYSA-N 1 2 278.359 3.192 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001221778364 816327781 /nfs/dbraw/zinc/32/77/81/816327781.db2.gz GSXWFSSLERRWGI-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001221778364 816327789 /nfs/dbraw/zinc/32/77/89/816327789.db2.gz GSXWFSSLERRWGI-ZIAGYGMSSA-N 1 2 298.858 3.098 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231414206 818094154 /nfs/dbraw/zinc/09/41/54/818094154.db2.gz JVUKLOGWMQQGQW-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO COc1c(F)ccc(F)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231414206 818094158 /nfs/dbraw/zinc/09/41/58/818094158.db2.gz JVUKLOGWMQQGQW-CNDDSTCGSA-N 1 2 292.329 3.240 20 30 CGEDLO CCc1ccc(C[N@H+](CCC#N)C2CCCC2)nc1 ZINC001231641539 818144296 /nfs/dbraw/zinc/14/42/96/818144296.db2.gz NNOUDRGYEUECGX-UHFFFAOYSA-N 1 2 257.381 3.302 20 30 CGEDLO CCc1ccc(C[N@@H+](CCC#N)C2CCCC2)nc1 ZINC001231641539 818144301 /nfs/dbraw/zinc/14/43/01/818144301.db2.gz NNOUDRGYEUECGX-UHFFFAOYSA-N 1 2 257.381 3.302 20 30 CGEDLO C=CCN1CC[NH+](Cc2cccc(C)c2OC(C)C)CC1 ZINC001232392633 818335056 /nfs/dbraw/zinc/33/50/56/818335056.db2.gz WZUKYUOVKCYXHK-UHFFFAOYSA-N 1 2 288.435 3.086 20 30 CGEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001232679965 818419571 /nfs/dbraw/zinc/41/95/71/818419571.db2.gz WCKVFTVYPYXOBJ-HNNXBMFYSA-N 1 2 293.370 3.038 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001232679965 818419576 /nfs/dbraw/zinc/41/95/76/818419576.db2.gz WCKVFTVYPYXOBJ-HNNXBMFYSA-N 1 2 293.370 3.038 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(Br)co2)CC1 ZINC001232857030 818456731 /nfs/dbraw/zinc/45/67/31/818456731.db2.gz KLVCYDBAAYXMNM-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(Br)co2)CC1 ZINC001232857030 818456734 /nfs/dbraw/zinc/45/67/34/818456734.db2.gz KLVCYDBAAYXMNM-JTQLQIEISA-N 1 2 283.169 3.168 20 30 CGEDLO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232890070 818467017 /nfs/dbraw/zinc/46/70/17/818467017.db2.gz OCSRHBBDMHTNLH-CYBMUJFWSA-N 1 2 281.334 3.233 20 30 CGEDLO N#C[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232890070 818467019 /nfs/dbraw/zinc/46/70/19/818467019.db2.gz OCSRHBBDMHTNLH-CYBMUJFWSA-N 1 2 281.334 3.233 20 30 CGEDLO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C)cc1C#N)C2 ZINC001232963223 818484713 /nfs/dbraw/zinc/48/47/13/818484713.db2.gz ZOBXGMCOWUHPRJ-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C)cc1C#N)C2 ZINC001232963223 818484720 /nfs/dbraw/zinc/48/47/20/818484720.db2.gz ZOBXGMCOWUHPRJ-UHFFFAOYSA-N 1 2 292.382 3.434 20 30 CGEDLO Cc1ccc(C[N@H+](C)Cc2[nH]ccc2C#N)cc1C ZINC001233046947 818507822 /nfs/dbraw/zinc/50/78/22/818507822.db2.gz ADLDKZVMVPADGR-UHFFFAOYSA-N 1 2 253.349 3.135 20 30 CGEDLO Cc1ccc(C[N@@H+](C)Cc2[nH]ccc2C#N)cc1C ZINC001233046947 818507827 /nfs/dbraw/zinc/50/78/27/818507827.db2.gz ADLDKZVMVPADGR-UHFFFAOYSA-N 1 2 253.349 3.135 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1F ZINC001233051912 818510646 /nfs/dbraw/zinc/51/06/46/818510646.db2.gz CAHPNOMNLTXAEF-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1F ZINC001233051912 818510653 /nfs/dbraw/zinc/51/06/53/818510653.db2.gz CAHPNOMNLTXAEF-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Cl)cnc1OC(C)C ZINC001233166490 818533604 /nfs/dbraw/zinc/53/36/04/818533604.db2.gz JHTXPSOARQAUQB-UHFFFAOYSA-N 1 2 254.761 3.140 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Cl)cnc1OC(C)C ZINC001233166490 818533610 /nfs/dbraw/zinc/53/36/10/818533610.db2.gz JHTXPSOARQAUQB-UHFFFAOYSA-N 1 2 254.761 3.140 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2F)C1 ZINC001233212246 818542736 /nfs/dbraw/zinc/54/27/36/818542736.db2.gz OGFBYQPVMFZRAT-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2F)C1 ZINC001233212246 818542745 /nfs/dbraw/zinc/54/27/45/818542745.db2.gz OGFBYQPVMFZRAT-SNVBAGLBSA-N 1 2 269.722 3.463 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc(F)c1F ZINC001233335743 818588494 /nfs/dbraw/zinc/58/84/94/818588494.db2.gz JLCRYENJONLNHF-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc(F)c1F ZINC001233335743 818588500 /nfs/dbraw/zinc/58/85/00/818588500.db2.gz JLCRYENJONLNHF-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359509 818597441 /nfs/dbraw/zinc/59/74/41/818597441.db2.gz ZNCCEEYOEKKTRL-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359509 818597445 /nfs/dbraw/zinc/59/74/45/818597445.db2.gz ZNCCEEYOEKKTRL-LBPRGKRZSA-N 1 2 288.782 3.113 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)c1O ZINC001233400646 818610728 /nfs/dbraw/zinc/61/07/28/818610728.db2.gz RIACGQGWDGMXHJ-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)c1O ZINC001233400646 818610733 /nfs/dbraw/zinc/61/07/33/818610733.db2.gz RIACGQGWDGMXHJ-NSHDSACASA-N 1 2 294.782 3.180 20 30 CGEDLO C#C[C@@H]1CCC[C@H]1Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588330 818887768 /nfs/dbraw/zinc/88/77/68/818887768.db2.gz MAYLJDIUEDJRFH-IUODEOHRSA-N 1 2 257.333 3.229 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235094665 819000657 /nfs/dbraw/zinc/00/06/57/819000657.db2.gz DHGZGDVNWPYOQB-MRXNPFEDSA-N 1 2 269.392 3.022 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235094665 819000660 /nfs/dbraw/zinc/00/06/60/819000660.db2.gz DHGZGDVNWPYOQB-MRXNPFEDSA-N 1 2 269.392 3.022 20 30 CGEDLO CC(C)(C)OC(=O)n1cccc1C[NH+]1CCC(C#N)CC1 ZINC001235626748 819127901 /nfs/dbraw/zinc/12/79/01/819127901.db2.gz UGAHUMVBULUDAB-UHFFFAOYSA-N 1 2 289.379 3.007 20 30 CGEDLO N#CCc1cc(C(F)(F)F)ccc1-c1ccc(N)[nH+]c1 ZINC001236314626 819421021 /nfs/dbraw/zinc/42/10/21/819421021.db2.gz CSNWTYRPSZLRDE-UHFFFAOYSA-N 1 2 277.249 3.416 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(Cl)cc2)nc1 ZINC001237020567 819645128 /nfs/dbraw/zinc/64/51/28/819645128.db2.gz PAJSALOJDBMBAF-UHFFFAOYSA-N 1 2 294.785 3.470 20 30 CGEDLO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2Cl)nc1 ZINC001237025666 819646931 /nfs/dbraw/zinc/64/69/31/819646931.db2.gz HBSXOEBEWVQYFY-UHFFFAOYSA-N 1 2 294.785 3.470 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCc3cc(O)ccc3C2)ccc1Cl ZINC001238193398 819952252 /nfs/dbraw/zinc/95/22/52/819952252.db2.gz ZDXNSUPQEOOXAW-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCc3cc(O)ccc3C2)ccc1Cl ZINC001238193398 819952255 /nfs/dbraw/zinc/95/22/55/819952255.db2.gz ZDXNSUPQEOOXAW-UHFFFAOYSA-N 1 2 298.773 3.476 20 30 CGEDLO C=CCN1CC[NH+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001238219179 819961536 /nfs/dbraw/zinc/96/15/36/819961536.db2.gz LRYJZRLBQYEFAE-UHFFFAOYSA-N 1 2 299.443 3.114 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(OCC#N)cc1 ZINC001243592418 823460032 /nfs/dbraw/zinc/46/00/32/823460032.db2.gz RUNHHIMQVOOGFP-UHFFFAOYSA-N 1 2 279.299 3.141 20 30 CGEDLO Cc1cc(C#N)cc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243655377 823475592 /nfs/dbraw/zinc/47/55/92/823475592.db2.gz AGPUCNONFKARGX-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO N#Cc1c[nH]c2nccc(-c3ccc(Cn4cc[nH+]c4)cc3)c12 ZINC001243656902 823476467 /nfs/dbraw/zinc/47/64/67/823476467.db2.gz HRZYTSXOBRPFPK-UHFFFAOYSA-N 1 2 299.337 3.298 20 30 CGEDLO Cc1cc(-c2ccc(-c3c[nH+]cn3C)cc2)cnc1C#N ZINC001242358200 822965118 /nfs/dbraw/zinc/96/51/18/822965118.db2.gz GEHVVTCQQGCRAR-UHFFFAOYSA-N 1 2 274.327 3.329 20 30 CGEDLO Cc1cc(-c2cccc(-c3c[nH+]cn3C)c2)cnc1C#N ZINC001242358686 822965456 /nfs/dbraw/zinc/96/54/56/822965456.db2.gz SJLOJEUIMIJNRU-UHFFFAOYSA-N 1 2 274.327 3.329 20 30 CGEDLO Cc1cc(-c2ccccc2Cn2cc[nH+]c2)cnc1C#N ZINC001242358659 822965507 /nfs/dbraw/zinc/96/55/07/822965507.db2.gz MXUBRMPJOUPPPX-UHFFFAOYSA-N 1 2 274.327 3.174 20 30 CGEDLO Cc1cc(C#N)cc(-c2c[nH+]c(N3CCOCC3)c(C)c2)c1 ZINC001242477873 823006033 /nfs/dbraw/zinc/00/60/33/823006033.db2.gz PMJINZOVNLAHLD-UHFFFAOYSA-N 1 2 293.370 3.074 20 30 CGEDLO C=CCC1(C(=O)OCc2c[nH+]cn2CC)CCCC1 ZINC001344972992 936795443 /nfs/dbraw/zinc/79/54/43/936795443.db2.gz YDCGEDOEWQTRJE-UHFFFAOYSA-N 1 2 262.353 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)c1cc(C)ccc1C ZINC001482645284 927333773 /nfs/dbraw/zinc/33/37/73/927333773.db2.gz NSNWXUINPIOKQR-UHFFFAOYSA-N 1 2 294.826 3.060 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)c1cc(C)ccc1C ZINC001482645284 927333785 /nfs/dbraw/zinc/33/37/85/927333785.db2.gz NSNWXUINPIOKQR-UHFFFAOYSA-N 1 2 294.826 3.060 20 30 CGEDLO COc1cccc2[nH+]c(NCCCCC#N)ccc21 ZINC001168427943 927573013 /nfs/dbraw/zinc/57/30/13/927573013.db2.gz VMONBSNOBAMEJY-UHFFFAOYSA-N 1 2 255.321 3.349 20 30 CGEDLO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)C(=O)OCC ZINC001474527704 937206076 /nfs/dbraw/zinc/20/60/76/937206076.db2.gz DAQNMZSUEBUVMI-ZNMIVQPWSA-N 1 2 297.439 3.066 20 30 CGEDLO CN(C)c1cccc(Cl)c1C=[NH+]O[C@@H]1CCCCO1 ZINC001324576659 928096353 /nfs/dbraw/zinc/09/63/53/928096353.db2.gz FSCVDBZWSRJLFZ-CQSZACIVSA-N 1 2 282.771 3.283 20 30 CGEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001437616063 937296236 /nfs/dbraw/zinc/29/62/36/937296236.db2.gz HMPYEKLGFRIRLI-UONOGXRCSA-N 1 2 283.375 3.199 20 30 CGEDLO Cc1ccc(SCc2ccc[nH+]c2N)c(C#N)c1 ZINC001459238090 937482693 /nfs/dbraw/zinc/48/26/93/937482693.db2.gz MCXQFZUYLKAMBQ-UHFFFAOYSA-N 1 2 255.346 3.136 20 30 CGEDLO Cc1nc(OC(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766725 932481929 /nfs/dbraw/zinc/48/19/29/932481929.db2.gz UCUXNNZGDWYAQX-UHFFFAOYSA-N 1 2 292.342 3.364 20 30 CGEDLO C#C[C@@H](CCCCC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920220 932642461 /nfs/dbraw/zinc/64/24/61/932642461.db2.gz KEJMHICJCWPXNJ-HNNXBMFYSA-N 1 2 271.360 3.328 20 30 CGEDLO C#C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccncc1 ZINC001231085863 932676206 /nfs/dbraw/zinc/67/62/06/932676206.db2.gz ZBXNOUBQSDAPQP-MRXNPFEDSA-N 1 2 275.311 3.225 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)C(=O)OCC ZINC001462192645 937624132 /nfs/dbraw/zinc/62/41/32/937624132.db2.gz YAXKOELWNUTZBT-IAGOWNOFSA-N 1 2 287.403 3.031 20 30 CGEDLO C#C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1ccc(F)cc1 ZINC001462275210 937629428 /nfs/dbraw/zinc/62/94/28/937629428.db2.gz GVLVGQDIHSGKDG-HNNXBMFYSA-N 1 2 291.272 3.274 20 30 CGEDLO CCNc1ccc(Nc2ccc(Cl)c(C#N)n2)c[nH+]1 ZINC001307234934 932932784 /nfs/dbraw/zinc/93/27/84/932932784.db2.gz QSRRQBFNOXEGIM-UHFFFAOYSA-N 1 2 273.727 3.177 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC001307744684 932995712 /nfs/dbraw/zinc/99/57/12/932995712.db2.gz AFMPCVGQKYCQCZ-DLBZAZTESA-N 1 2 287.403 3.156 20 30 CGEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC001307744684 932995717 /nfs/dbraw/zinc/99/57/17/932995717.db2.gz AFMPCVGQKYCQCZ-DLBZAZTESA-N 1 2 287.403 3.156 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001307800388 933001204 /nfs/dbraw/zinc/00/12/04/933001204.db2.gz VNIRAHRRXDMSNY-WCQYABFASA-N 1 2 277.330 3.220 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001307800388 933001211 /nfs/dbraw/zinc/00/12/11/933001211.db2.gz VNIRAHRRXDMSNY-WCQYABFASA-N 1 2 277.330 3.220 20 30 CGEDLO C=CC[N@@H+](CC(=O)OCC)C[C@@H](c1ccccc1)C(C)C ZINC001308561275 933133656 /nfs/dbraw/zinc/13/36/56/933133656.db2.gz VESOUVIGAQEQNM-QGZVFWFLSA-N 1 2 289.419 3.477 20 30 CGEDLO C=CC[N@H+](CC(=O)OCC)C[C@@H](c1ccccc1)C(C)C ZINC001308561275 933133659 /nfs/dbraw/zinc/13/36/59/933133659.db2.gz VESOUVIGAQEQNM-QGZVFWFLSA-N 1 2 289.419 3.477 20 30 CGEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)CCC(C)(C)C ZINC001317467144 933599579 /nfs/dbraw/zinc/59/95/79/933599579.db2.gz PDQVIXVYGLRHEA-GFCCVEGCSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)CCC(C)(C)C ZINC001317467144 933599588 /nfs/dbraw/zinc/59/95/88/933599588.db2.gz PDQVIXVYGLRHEA-GFCCVEGCSA-N 1 2 288.863 3.249 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001317753575 933642617 /nfs/dbraw/zinc/64/26/17/933642617.db2.gz KPZWGRIOVPJUJR-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001317753575 933642622 /nfs/dbraw/zinc/64/26/22/933642622.db2.gz KPZWGRIOVPJUJR-OCCSQVGLSA-N 1 2 286.847 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001317766213 933646563 /nfs/dbraw/zinc/64/65/63/933646563.db2.gz CKWFLWUHVUDJBO-RBSFLKMASA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001317766213 933646573 /nfs/dbraw/zinc/64/65/73/933646573.db2.gz CKWFLWUHVUDJBO-RBSFLKMASA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001318366102 933713935 /nfs/dbraw/zinc/71/39/35/933713935.db2.gz TZBWQNRESOPXJY-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001318366102 933713937 /nfs/dbraw/zinc/71/39/37/933713937.db2.gz TZBWQNRESOPXJY-CYBMUJFWSA-N 1 2 286.847 3.002 20 30 CGEDLO C=CCC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001319324312 933855909 /nfs/dbraw/zinc/85/59/09/933855909.db2.gz JIWLTQLHFUYYFA-HOCLYGCPSA-N 1 2 283.375 3.268 20 30 CGEDLO C#CCOCC[N@@H+](C)Cc1csc(C2CCCCC2)n1 ZINC001319774456 933930353 /nfs/dbraw/zinc/93/03/53/933930353.db2.gz YWYVHYILEYJPCR-UHFFFAOYSA-N 1 2 292.448 3.272 20 30 CGEDLO C#CCOCC[N@H+](C)Cc1csc(C2CCCCC2)n1 ZINC001319774456 933930358 /nfs/dbraw/zinc/93/03/58/933930358.db2.gz YWYVHYILEYJPCR-UHFFFAOYSA-N 1 2 292.448 3.272 20 30 CGEDLO Cc1cccnc1N[NH+]=Cc1ccc(N)c(Cl)c1 ZINC001321017326 934136272 /nfs/dbraw/zinc/13/62/72/934136272.db2.gz KABVQODQMBUVHO-UHFFFAOYSA-N 1 2 260.728 3.072 20 30 CGEDLO C=CCn1cnn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC001321236213 934167191 /nfs/dbraw/zinc/16/71/91/934167191.db2.gz RFRIFHKHXPPHMZ-LBPRGKRZSA-N 1 2 280.441 3.068 20 30 CGEDLO C=CCn1cnn(C[N@H+](C)[C@H]2CCC(C)(C)C2)c1=S ZINC001321236213 934167196 /nfs/dbraw/zinc/16/71/96/934167196.db2.gz RFRIFHKHXPPHMZ-LBPRGKRZSA-N 1 2 280.441 3.068 20 30 CGEDLO C=CC[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OCC ZINC001321295785 934173518 /nfs/dbraw/zinc/17/35/18/934173518.db2.gz CPLNCTDWFDREPE-GDBMZVCRSA-N 1 2 275.392 3.278 20 30 CGEDLO CCCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC001322786959 934335828 /nfs/dbraw/zinc/33/58/28/934335828.db2.gz UJIXIYWCEZPQMP-UHFFFAOYSA-N 1 2 291.420 3.070 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001473209036 937797585 /nfs/dbraw/zinc/79/75/85/937797585.db2.gz KVSYLNVIUGZMPC-PKOBYXMFSA-N 1 2 299.414 3.084 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001473209036 937797586 /nfs/dbraw/zinc/79/75/86/937797586.db2.gz KVSYLNVIUGZMPC-PKOBYXMFSA-N 1 2 299.414 3.084 20 30 CGEDLO N#CCC[N@@H+](CCc1ccc(F)cc1)Cc1ccco1 ZINC001325036910 934883831 /nfs/dbraw/zinc/88/38/31/934883831.db2.gz IYJIRRFQAPERND-UHFFFAOYSA-N 1 2 272.323 3.377 20 30 CGEDLO N#CCC[N@H+](CCc1ccc(F)cc1)Cc1ccco1 ZINC001325036910 934883838 /nfs/dbraw/zinc/88/38/38/934883838.db2.gz IYJIRRFQAPERND-UHFFFAOYSA-N 1 2 272.323 3.377 20 30 CGEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473665659 937816266 /nfs/dbraw/zinc/81/62/66/937816266.db2.gz HAFYDKSVYDOMFM-INIZCTEOSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473665659 937816267 /nfs/dbraw/zinc/81/62/67/937816267.db2.gz HAFYDKSVYDOMFM-INIZCTEOSA-N 1 2 292.810 3.459 20 30 CGEDLO C=CCCC[NH2+][C@H](Cc1ccccc1Cl)C(=O)OCC ZINC001473700613 937818355 /nfs/dbraw/zinc/81/83/55/937818355.db2.gz XELWKZJMQAGSNG-OAHLLOKOSA-N 1 2 295.810 3.370 20 30 CGEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](C/C=C\C)C2)c1=S ZINC001329197176 935195241 /nfs/dbraw/zinc/19/52/41/935195241.db2.gz XNNDGZNGLGIRDX-MFBWXBCUSA-N 1 2 292.452 3.236 20 30 CGEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](C/C=C\C)C2)c1=S ZINC001329197176 935195244 /nfs/dbraw/zinc/19/52/44/935195244.db2.gz XNNDGZNGLGIRDX-MFBWXBCUSA-N 1 2 292.452 3.236 20 30 CGEDLO N#CC1(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CCCC1 ZINC001331691137 935403273 /nfs/dbraw/zinc/40/32/73/935403273.db2.gz LVFLJNSEWCNIHI-UHFFFAOYSA-N 1 2 280.375 3.250 20 30 CGEDLO C=CCO[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001331790793 935409926 /nfs/dbraw/zinc/40/99/26/935409926.db2.gz LRUKUUJIXAMCNP-JTQLQIEISA-N 1 2 287.737 3.395 20 30 CGEDLO C=CCO[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC001331790793 935409927 /nfs/dbraw/zinc/40/99/27/935409927.db2.gz LRUKUUJIXAMCNP-JTQLQIEISA-N 1 2 287.737 3.395 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1csc(C#N)c1 ZINC001333778384 936065281 /nfs/dbraw/zinc/06/52/81/936065281.db2.gz BOLZOIDDJGVADP-OLZOCXBDSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1csc(C#N)c1 ZINC001333778384 936065285 /nfs/dbraw/zinc/06/52/85/936065285.db2.gz BOLZOIDDJGVADP-OLZOCXBDSA-N 1 2 264.394 3.009 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@H+](CCCC(F)(F)F)CCO2)c1 ZINC001334099073 936085113 /nfs/dbraw/zinc/08/51/13/936085113.db2.gz YLGMXMQITGQVNH-CQSZACIVSA-N 1 2 298.308 3.274 20 30 CGEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCC(F)(F)F)CCO2)c1 ZINC001334099073 936085118 /nfs/dbraw/zinc/08/51/18/936085118.db2.gz YLGMXMQITGQVNH-CQSZACIVSA-N 1 2 298.308 3.274 20 30 CGEDLO COc1ccc(F)c(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC001474639063 937871780 /nfs/dbraw/zinc/87/17/80/937871780.db2.gz VIUUFXGFWWBHDY-UHFFFAOYSA-N 1 2 288.297 3.135 20 30 CGEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC001476303827 937887631 /nfs/dbraw/zinc/88/76/31/937887631.db2.gz SMQKCPHZACSYKI-HUUCEWRRSA-N 1 2 287.407 3.377 20 30 CGEDLO C=CC[C@H](C(=O)N(C)C1C[NH+](CC(=C)C)C1)c1ccccc1 ZINC001499790728 937974823 /nfs/dbraw/zinc/97/48/23/937974823.db2.gz VGTLMOMWTZAPIK-SFHVURJKSA-N 1 2 298.430 3.065 20 30 CGEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001559580845 938230068 /nfs/dbraw/zinc/23/00/68/938230068.db2.gz RDGWWBRWAHVTHR-ZIAGYGMSSA-N 1 2 293.411 3.047 20 30 CGEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001559580845 938230069 /nfs/dbraw/zinc/23/00/69/938230069.db2.gz RDGWWBRWAHVTHR-ZIAGYGMSSA-N 1 2 293.411 3.047 20 30 CGEDLO N#Cc1ccnc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)c1 ZINC001560080948 938243416 /nfs/dbraw/zinc/24/34/16/938243416.db2.gz ALKTUVWWHUWDJN-GOSISDBHSA-N 1 2 295.361 3.414 20 30 CGEDLO N#Cc1ccnc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)c1 ZINC001560080948 938243417 /nfs/dbraw/zinc/24/34/17/938243417.db2.gz ALKTUVWWHUWDJN-GOSISDBHSA-N 1 2 295.361 3.414 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001566915796 957897800 /nfs/dbraw/zinc/89/78/00/957897800.db2.gz VCWCKFSQVYZWIO-YRBHFNIASA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001566915796 957897808 /nfs/dbraw/zinc/89/78/08/957897808.db2.gz VCWCKFSQVYZWIO-YRBHFNIASA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001569495030 961782054 /nfs/dbraw/zinc/78/20/54/961782054.db2.gz RGXNNNFGOUVGKW-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001570706380 962047307 /nfs/dbraw/zinc/04/73/07/962047307.db2.gz MYKJKDXAWTYJHI-CYBMUJFWSA-N 1 2 284.831 3.066 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001570706380 962047324 /nfs/dbraw/zinc/04/73/24/962047324.db2.gz MYKJKDXAWTYJHI-CYBMUJFWSA-N 1 2 284.831 3.066 20 30 CGEDLO C=CCC1(C(=O)N2CCc3cc[nH+]c(N)c3C2)CCCCC1 ZINC001586738493 963133772 /nfs/dbraw/zinc/13/37/72/963133772.db2.gz WGXNNUQBUOBEIH-UHFFFAOYSA-N 1 2 299.418 3.075 20 30 CGEDLO Cc1ccncc1[C@H](C)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590956082 346890327 /nfs/dbraw/zinc/89/03/27/346890327.db2.gz PLCVHVIDAZLHLX-LBPRGKRZSA-N 1 2 296.330 3.021 20 30 CGEDLO Cc1ccc(C2CCN(c3ccc(C#N)c(C)n3)CC2)c[nH+]1 ZINC000330178201 136382485 /nfs/dbraw/zinc/38/24/85/136382485.db2.gz LLGIAIYHFGTSPX-UHFFFAOYSA-N 1 2 292.386 3.349 20 30 CGEDLO N#Cc1cnccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592146037 346966986 /nfs/dbraw/zinc/96/69/86/346966986.db2.gz KXPOEVQRVBNWHN-UHFFFAOYSA-N 1 2 281.334 3.261 20 30 CGEDLO CC1(CC(F)F)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000592523266 346995764 /nfs/dbraw/zinc/99/57/64/346995764.db2.gz KCQQXDHAOMVEEF-UHFFFAOYSA-N 1 2 256.321 3.097 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000593120688 347042342 /nfs/dbraw/zinc/04/23/42/347042342.db2.gz GGKUSXXEESXTJQ-UHFFFAOYSA-N 1 2 296.345 3.482 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000593120688 347042343 /nfs/dbraw/zinc/04/23/43/347042343.db2.gz GGKUSXXEESXTJQ-UHFFFAOYSA-N 1 2 296.345 3.482 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029538102 344918459 /nfs/dbraw/zinc/91/84/59/344918459.db2.gz OWZGDCQQSFOMMJ-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000029538102 344918461 /nfs/dbraw/zinc/91/84/61/344918461.db2.gz OWZGDCQQSFOMMJ-GOSISDBHSA-N 1 2 296.345 3.271 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000070142990 345388242 /nfs/dbraw/zinc/38/82/42/345388242.db2.gz ICZLONWLQCBQEX-UHFFFAOYSA-N 1 2 286.297 3.067 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000070142990 345388244 /nfs/dbraw/zinc/38/82/44/345388244.db2.gz ICZLONWLQCBQEX-UHFFFAOYSA-N 1 2 286.297 3.067 20 30 CGEDLO COC(=O)c1cc(C[N@H+](CCC#N)CCC(C)C)c(C)o1 ZINC000072691475 345415980 /nfs/dbraw/zinc/41/59/80/345415980.db2.gz DJEFLQRAXHYDHJ-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO COC(=O)c1cc(C[N@@H+](CCC#N)CCC(C)C)c(C)o1 ZINC000072691475 345415984 /nfs/dbraw/zinc/41/59/84/345415984.db2.gz DJEFLQRAXHYDHJ-UHFFFAOYSA-N 1 2 292.379 3.136 20 30 CGEDLO N#Cc1c(Cl)nsc1Sc1[nH+]cc2ccccn21 ZINC000092583044 345845904 /nfs/dbraw/zinc/84/59/04/345845904.db2.gz VBENRNAVMAWOAA-UHFFFAOYSA-N 1 2 292.776 3.467 20 30 CGEDLO CC[N@H+](CCCNc1cnccc1C#N)c1ccccc1 ZINC000094132618 345895848 /nfs/dbraw/zinc/89/58/48/345895848.db2.gz YQEPXRAIYBBEQS-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO CC[N@@H+](CCCNc1cnccc1C#N)c1ccccc1 ZINC000094132618 345895860 /nfs/dbraw/zinc/89/58/60/345895860.db2.gz YQEPXRAIYBBEQS-UHFFFAOYSA-N 1 2 280.375 3.282 20 30 CGEDLO C=CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000132772879 346073765 /nfs/dbraw/zinc/07/37/65/346073765.db2.gz JOZDYTFSYDHRKS-CQSZACIVSA-N 1 2 269.747 3.429 20 30 CGEDLO C=CCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000132772879 346073767 /nfs/dbraw/zinc/07/37/67/346073767.db2.gz JOZDYTFSYDHRKS-CQSZACIVSA-N 1 2 269.747 3.429 20 30 CGEDLO COc1cccc(CNc2[nH+]cccc2OCCCC#N)c1 ZINC000162234136 346178276 /nfs/dbraw/zinc/17/82/76/346178276.db2.gz POCLLTZLCRRAQZ-UHFFFAOYSA-N 1 2 297.358 3.385 20 30 CGEDLO C=CC(C)(C)CC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000624036855 349951951 /nfs/dbraw/zinc/95/19/51/349951951.db2.gz AJWMSRVBGXSFML-CQSZACIVSA-N 1 2 288.370 3.225 20 30 CGEDLO C[C@H](Nc1cccc(OCCCC#N)c1)c1[nH]cc[nH+]1 ZINC000286170618 346421333 /nfs/dbraw/zinc/42/13/33/346421333.db2.gz PWFXWPIJWZWAGT-LBPRGKRZSA-N 1 2 270.336 3.265 20 30 CGEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H](CC)CO1 ZINC000593661978 347101641 /nfs/dbraw/zinc/10/16/41/347101641.db2.gz VSHKWIIVWFGDMY-VXGBXAGGSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@H](CC)CO1 ZINC000593661978 347101644 /nfs/dbraw/zinc/10/16/44/347101644.db2.gz VSHKWIIVWFGDMY-VXGBXAGGSA-N 1 2 264.394 3.009 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000403940315 346598057 /nfs/dbraw/zinc/59/80/57/346598057.db2.gz VYGIZAKUBDTMTP-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000403940315 346598064 /nfs/dbraw/zinc/59/80/64/346598064.db2.gz VYGIZAKUBDTMTP-CQSZACIVSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CO1 ZINC000403852485 346598370 /nfs/dbraw/zinc/59/83/70/346598370.db2.gz GTPBCDQSHXRFCB-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](CC)CO1 ZINC000403852485 346598371 /nfs/dbraw/zinc/59/83/71/346598371.db2.gz GTPBCDQSHXRFCB-GJZGRUSLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000404024061 346598926 /nfs/dbraw/zinc/59/89/26/346598926.db2.gz DSAGZEIXPODOIR-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000404024061 346598929 /nfs/dbraw/zinc/59/89/29/346598929.db2.gz DSAGZEIXPODOIR-AWEZNQCLSA-N 1 2 276.355 3.087 20 30 CGEDLO C=C[C@@H]([NH2+]CCCCc1ccc(Cl)s1)C(=O)OC ZINC000585729067 346727746 /nfs/dbraw/zinc/72/77/46/346727746.db2.gz UOGSRMANEHHJDZ-LLVKDONJSA-N 1 2 287.812 3.041 20 30 CGEDLO C=C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)C(C)C)C(=O)OC ZINC000586642361 346732454 /nfs/dbraw/zinc/73/24/54/346732454.db2.gz VBSYIESONBQBLI-HUUCEWRRSA-N 1 2 295.810 3.397 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)cc1C ZINC000593697961 347105915 /nfs/dbraw/zinc/10/59/15/347105915.db2.gz NQCZQIVMIDJNHN-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)cc1C ZINC000593697961 347105920 /nfs/dbraw/zinc/10/59/20/347105920.db2.gz NQCZQIVMIDJNHN-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccn1 ZINC000589311365 346793528 /nfs/dbraw/zinc/79/35/28/346793528.db2.gz TWAYMGYYBNMXMM-LBPRGKRZSA-N 1 2 272.377 3.041 20 30 CGEDLO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC1(F)F)CC2 ZINC000589344207 346794252 /nfs/dbraw/zinc/79/42/52/346794252.db2.gz LQFJZRKRPLQMAK-ZIAGYGMSSA-N 1 2 262.303 3.323 20 30 CGEDLO CC[N@@H+](Cc1cn(-c2ccc(C)cc2)nc1C)C[C@@H](C)C#N ZINC000594599643 347199277 /nfs/dbraw/zinc/19/92/77/347199277.db2.gz CLAVWVQDOGRDCL-HNNXBMFYSA-N 1 2 296.418 3.471 20 30 CGEDLO CC[N@H+](Cc1cn(-c2ccc(C)cc2)nc1C)C[C@@H](C)C#N ZINC000594599643 347199281 /nfs/dbraw/zinc/19/92/81/347199281.db2.gz CLAVWVQDOGRDCL-HNNXBMFYSA-N 1 2 296.418 3.471 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(OC)c1 ZINC000594613375 347204180 /nfs/dbraw/zinc/20/41/80/347204180.db2.gz OBQFPEYTWHPTQK-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(OC)c1 ZINC000594613375 347204183 /nfs/dbraw/zinc/20/41/83/347204183.db2.gz OBQFPEYTWHPTQK-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO CCOc1ccc(CNc2cc(CC#N)cc[nH+]2)c(C)c1 ZINC000594735440 347215134 /nfs/dbraw/zinc/21/51/34/347215134.db2.gz QRACMKOPQSWTDS-UHFFFAOYSA-N 1 2 281.359 3.467 20 30 CGEDLO N#Cc1ccc(CNc2c[nH+]cc3c2CCCC3)cc1 ZINC000594741627 347215666 /nfs/dbraw/zinc/21/56/66/347215666.db2.gz AMOBBQXUPMJLIA-UHFFFAOYSA-N 1 2 263.344 3.444 20 30 CGEDLO Cc1c[nH]c(CNc2cccc(OCCCC#N)c2)[nH+]1 ZINC000594923323 347230731 /nfs/dbraw/zinc/23/07/31/347230731.db2.gz IXFYIUDXHBDQFH-UHFFFAOYSA-N 1 2 270.336 3.013 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000595318563 347291433 /nfs/dbraw/zinc/29/14/33/347291433.db2.gz VMLUDPQYTHBZSZ-CABCVRRESA-N 1 2 252.317 3.334 20 30 CGEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000595318563 347291438 /nfs/dbraw/zinc/29/14/38/347291438.db2.gz VMLUDPQYTHBZSZ-CABCVRRESA-N 1 2 252.317 3.334 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(F)cn1 ZINC000595090624 347280560 /nfs/dbraw/zinc/28/05/60/347280560.db2.gz JLPXHBWEKZCJLS-GFCCVEGCSA-N 1 2 261.344 3.345 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000595815077 347358501 /nfs/dbraw/zinc/35/85/01/347358501.db2.gz LBUWQQYXTUSWMF-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000595815077 347358507 /nfs/dbraw/zinc/35/85/07/347358507.db2.gz LBUWQQYXTUSWMF-CYBMUJFWSA-N 1 2 288.366 3.231 20 30 CGEDLO C[N@H+](CCCC#N)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595750047 347349684 /nfs/dbraw/zinc/34/96/84/347349684.db2.gz RAGDPBFLGIURGC-GFCCVEGCSA-N 1 2 287.190 3.262 20 30 CGEDLO C[N@@H+](CCCC#N)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595750047 347349687 /nfs/dbraw/zinc/34/96/87/347349687.db2.gz RAGDPBFLGIURGC-GFCCVEGCSA-N 1 2 287.190 3.262 20 30 CGEDLO CO[C@@]1(C)CCC[N@@H+]([C@H](C#N)c2ccccc2)CC1 ZINC000595466578 347307497 /nfs/dbraw/zinc/30/74/97/347307497.db2.gz VPSPVSNMSOTXEQ-CVEARBPZSA-N 1 2 258.365 3.142 20 30 CGEDLO CO[C@@]1(C)CCC[N@H+]([C@H](C#N)c2ccccc2)CC1 ZINC000595466578 347307500 /nfs/dbraw/zinc/30/75/00/347307500.db2.gz VPSPVSNMSOTXEQ-CVEARBPZSA-N 1 2 258.365 3.142 20 30 CGEDLO COc1cc2c(cc1F)[nH+]ccc2N1CC[C@](C)(C#N)C1 ZINC000596531436 347475310 /nfs/dbraw/zinc/47/53/10/347475310.db2.gz LQZHOCUDPUTCNF-MRXNPFEDSA-N 1 2 285.322 3.122 20 30 CGEDLO Cc1ccc(NC(=O)NCC2(C#N)CCCCC2)c(C)[nH+]1 ZINC000596790720 347511667 /nfs/dbraw/zinc/51/16/67/347511667.db2.gz QXYDZHHKKSNQEO-UHFFFAOYSA-N 1 2 286.379 3.294 20 30 CGEDLO N#C[C@H]1CCC[C@@H](Nc2c[nH+]cc3c2CCCC3)C1 ZINC000597176045 347544660 /nfs/dbraw/zinc/54/46/60/347544660.db2.gz GODUFJMTBIFFQJ-GXTWGEPZSA-N 1 2 255.365 3.455 20 30 CGEDLO CCCOc1ccc(C[N@@H+](CCC#N)CCOC)c(C)c1 ZINC000596995847 347525315 /nfs/dbraw/zinc/52/53/15/347525315.db2.gz MGWZSNKUIMLMLS-UHFFFAOYSA-N 1 2 290.407 3.146 20 30 CGEDLO CCCOc1ccc(C[N@H+](CCC#N)CCOC)c(C)c1 ZINC000596995847 347525318 /nfs/dbraw/zinc/52/53/18/347525318.db2.gz MGWZSNKUIMLMLS-UHFFFAOYSA-N 1 2 290.407 3.146 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1c(C2CCC2)cnn1C ZINC000596995559 347525405 /nfs/dbraw/zinc/52/54/05/347525405.db2.gz JRDJATDUKHBMIO-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1c(C2CCC2)cnn1C ZINC000596995559 347525410 /nfs/dbraw/zinc/52/54/10/347525410.db2.gz JRDJATDUKHBMIO-UHFFFAOYSA-N 1 2 288.439 3.449 20 30 CGEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000597157658 347541725 /nfs/dbraw/zinc/54/17/25/347541725.db2.gz QJOVSTZYFMPJFL-UHFFFAOYSA-N 1 2 292.386 3.075 20 30 CGEDLO Cn1ncc(C2CCC2)c1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000597157658 347541728 /nfs/dbraw/zinc/54/17/28/347541728.db2.gz QJOVSTZYFMPJFL-UHFFFAOYSA-N 1 2 292.386 3.075 20 30 CGEDLO N#CCC1C[NH+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000597204154 347554297 /nfs/dbraw/zinc/55/42/97/347554297.db2.gz RIWCPRIRIFMGJP-UHFFFAOYSA-N 1 2 268.316 3.417 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229596 347558532 /nfs/dbraw/zinc/55/85/32/347558532.db2.gz MYIDGEXYJXRMSF-SFHVURJKSA-N 1 2 294.402 3.225 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229596 347558533 /nfs/dbraw/zinc/55/85/33/347558533.db2.gz MYIDGEXYJXRMSF-SFHVURJKSA-N 1 2 294.402 3.225 20 30 CGEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccccc1C#N)C2 ZINC000599686643 347766150 /nfs/dbraw/zinc/76/61/50/347766150.db2.gz UJPKJHMTJLWJAM-UHFFFAOYSA-N 1 2 287.366 3.183 20 30 CGEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000599686643 347766153 /nfs/dbraw/zinc/76/61/53/347766153.db2.gz UJPKJHMTJLWJAM-UHFFFAOYSA-N 1 2 287.366 3.183 20 30 CGEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(CO)ccc1F ZINC000599297444 347732572 /nfs/dbraw/zinc/73/25/72/347732572.db2.gz HVGHBXOLRDZOEP-UHFFFAOYSA-N 1 2 278.371 3.080 20 30 CGEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(CO)ccc1F ZINC000599297444 347732574 /nfs/dbraw/zinc/73/25/74/347732574.db2.gz HVGHBXOLRDZOEP-UHFFFAOYSA-N 1 2 278.371 3.080 20 30 CGEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)c(F)c1N(C)C)C1CC1 ZINC000600120129 347782352 /nfs/dbraw/zinc/78/23/52/347782352.db2.gz HSVZJQOZAGQSOA-NSHDSACASA-N 1 2 293.361 3.155 20 30 CGEDLO Cc1cc(C[N@@H+](CCC#N)C(C)C)ncc1Br ZINC000600110919 347780543 /nfs/dbraw/zinc/78/05/43/347780543.db2.gz HTOIESZXWQXMHO-UHFFFAOYSA-N 1 2 296.212 3.277 20 30 CGEDLO Cc1cc(C[N@H+](CCC#N)C(C)C)ncc1Br ZINC000600110919 347780546 /nfs/dbraw/zinc/78/05/46/347780546.db2.gz HTOIESZXWQXMHO-UHFFFAOYSA-N 1 2 296.212 3.277 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)c(F)c1N(C)C)C1CC1 ZINC000600120129 347782356 /nfs/dbraw/zinc/78/23/56/347782356.db2.gz HSVZJQOZAGQSOA-NSHDSACASA-N 1 2 293.361 3.155 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc2ccccc2n1C)C1CC1 ZINC000602487989 347968536 /nfs/dbraw/zinc/96/85/36/347968536.db2.gz XVYAJJWXLGNKNB-CYBMUJFWSA-N 1 2 267.376 3.302 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc2ccccc2n1C)C1CC1 ZINC000602487989 347968538 /nfs/dbraw/zinc/96/85/38/347968538.db2.gz XVYAJJWXLGNKNB-CYBMUJFWSA-N 1 2 267.376 3.302 20 30 CGEDLO C=CC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602623809 347995953 /nfs/dbraw/zinc/99/59/53/347995953.db2.gz QXJCYFGMMWWVEH-UHFFFAOYSA-N 1 2 291.170 3.037 20 30 CGEDLO C=CC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602623809 347995955 /nfs/dbraw/zinc/99/59/55/347995955.db2.gz QXJCYFGMMWWVEH-UHFFFAOYSA-N 1 2 291.170 3.037 20 30 CGEDLO C=CC[N@@H+](CCC#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602671390 348005617 /nfs/dbraw/zinc/00/56/17/348005617.db2.gz JVCQZBTVKLKPKW-HNNXBMFYSA-N 1 2 286.375 3.093 20 30 CGEDLO C=CC[N@H+](CCC#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602671390 348005619 /nfs/dbraw/zinc/00/56/19/348005619.db2.gz JVCQZBTVKLKPKW-HNNXBMFYSA-N 1 2 286.375 3.093 20 30 CGEDLO Cn1c(C[N@H+](C)CC(C)(C)C#N)cc2ccccc21 ZINC000602675676 348006603 /nfs/dbraw/zinc/00/66/03/348006603.db2.gz NTSBVEXBSVVFJY-UHFFFAOYSA-N 1 2 255.365 3.160 20 30 CGEDLO Cn1c(C[N@@H+](C)CC(C)(C)C#N)cc2ccccc21 ZINC000602675676 348006604 /nfs/dbraw/zinc/00/66/04/348006604.db2.gz NTSBVEXBSVVFJY-UHFFFAOYSA-N 1 2 255.365 3.160 20 30 CGEDLO CCn1nc(C)c(C[N@H+](C)Cc2ccccc2C#N)c1C ZINC000602730224 348020454 /nfs/dbraw/zinc/02/04/54/348020454.db2.gz ZFFUIDVOLGMNGM-UHFFFAOYSA-N 1 2 282.391 3.024 20 30 CGEDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2C#N)c1C ZINC000602730224 348020457 /nfs/dbraw/zinc/02/04/57/348020457.db2.gz ZFFUIDVOLGMNGM-UHFFFAOYSA-N 1 2 282.391 3.024 20 30 CGEDLO COCc1cc(C#N)ccc1NCCc1ccc(C)[nH+]c1 ZINC000603305670 348068985 /nfs/dbraw/zinc/06/89/85/348068985.db2.gz ULXHZOVFWYQIMV-UHFFFAOYSA-N 1 2 281.359 3.063 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000602793999 348030770 /nfs/dbraw/zinc/03/07/70/348030770.db2.gz FJADSQWJDIKVJM-UHFFFAOYSA-N 1 2 265.360 3.220 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000602793999 348030771 /nfs/dbraw/zinc/03/07/71/348030771.db2.gz FJADSQWJDIKVJM-UHFFFAOYSA-N 1 2 265.360 3.220 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1oc(-c2ccccc2)nc1C ZINC000602841588 348035687 /nfs/dbraw/zinc/03/56/87/348035687.db2.gz LUENSNPQWQKAGF-AWEZNQCLSA-N 1 2 269.348 3.432 20 30 CGEDLO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602864515 348038384 /nfs/dbraw/zinc/03/83/84/348038384.db2.gz RRQCUQYTFHYJRW-MJBXVCDLSA-N 1 2 287.407 3.419 20 30 CGEDLO CCOc1cccc(Cl)c1C[NH2+][C@H](C)CC#N ZINC000602870515 348039022 /nfs/dbraw/zinc/03/90/22/348039022.db2.gz MKXUGEBZGWTDQD-SNVBAGLBSA-N 1 2 252.745 3.130 20 30 CGEDLO C[N@H+](CCCC#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602891656 348040910 /nfs/dbraw/zinc/04/09/10/348040910.db2.gz BKZRWKLHICIMDY-UHFFFAOYSA-N 1 2 296.296 3.317 20 30 CGEDLO C[N@@H+](CCCC#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602891656 348040912 /nfs/dbraw/zinc/04/09/12/348040912.db2.gz BKZRWKLHICIMDY-UHFFFAOYSA-N 1 2 296.296 3.317 20 30 CGEDLO C[N@H+](CCCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891656 348040914 /nfs/dbraw/zinc/04/09/14/348040914.db2.gz BKZRWKLHICIMDY-UHFFFAOYSA-N 1 2 296.296 3.317 20 30 CGEDLO C[N@@H+](CCCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891656 348040915 /nfs/dbraw/zinc/04/09/15/348040915.db2.gz BKZRWKLHICIMDY-UHFFFAOYSA-N 1 2 296.296 3.317 20 30 CGEDLO CCC(F)(F)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000602916158 348043274 /nfs/dbraw/zinc/04/32/74/348043274.db2.gz RDVLZLZOKJSXKK-UHFFFAOYSA-N 1 2 294.345 3.199 20 30 CGEDLO C[N@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602974791 348048643 /nfs/dbraw/zinc/04/86/43/348048643.db2.gz UDZBQHILCSGLFA-YPMHNXCESA-N 1 2 280.318 3.412 20 30 CGEDLO C[N@@H+](Cc1ccccc1OC(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602974791 348048644 /nfs/dbraw/zinc/04/86/44/348048644.db2.gz UDZBQHILCSGLFA-YPMHNXCESA-N 1 2 280.318 3.412 20 30 CGEDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C#N ZINC000602977375 348049107 /nfs/dbraw/zinc/04/91/07/348049107.db2.gz AJJALBNQNLVQHX-GXFFZTMASA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C#N ZINC000602977375 348049111 /nfs/dbraw/zinc/04/91/11/348049111.db2.gz AJJALBNQNLVQHX-GXFFZTMASA-N 1 2 293.754 3.372 20 30 CGEDLO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980366 348050392 /nfs/dbraw/zinc/05/03/92/348050392.db2.gz PIPFNSFHWAZHJK-FZMZJTMJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980366 348050393 /nfs/dbraw/zinc/05/03/93/348050393.db2.gz PIPFNSFHWAZHJK-FZMZJTMJSA-N 1 2 250.292 3.089 20 30 CGEDLO C[N@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[C@H]1C#N ZINC000602981523 348051657 /nfs/dbraw/zinc/05/16/57/348051657.db2.gz FNDDYOKLWVIFCD-RDJZCZTQSA-N 1 2 265.360 3.359 20 30 CGEDLO C[N@@H+](Cc1cnc2ccccc2c1)[C@H]1CCC[C@H]1C#N ZINC000602981523 348051661 /nfs/dbraw/zinc/05/16/61/348051661.db2.gz FNDDYOKLWVIFCD-RDJZCZTQSA-N 1 2 265.360 3.359 20 30 CGEDLO CCC[N@@H+](Cc1ccccc1F)C[C@@H](C#N)CCC#N ZINC000609575004 348347389 /nfs/dbraw/zinc/34/73/89/348347389.db2.gz RMRIGBDGGGIZCQ-CQSZACIVSA-N 1 2 273.355 3.481 20 30 CGEDLO CCC[N@H+](Cc1ccccc1F)C[C@@H](C#N)CCC#N ZINC000609575004 348347391 /nfs/dbraw/zinc/34/73/91/348347391.db2.gz RMRIGBDGGGIZCQ-CQSZACIVSA-N 1 2 273.355 3.481 20 30 CGEDLO N#Cc1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)ccn1 ZINC000610994742 348417444 /nfs/dbraw/zinc/41/74/44/348417444.db2.gz PCLKGGVURUTNKX-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)ccn1 ZINC000610994742 348417447 /nfs/dbraw/zinc/41/74/47/348417447.db2.gz PCLKGGVURUTNKX-MRXNPFEDSA-N 1 2 267.307 3.039 20 30 CGEDLO Cc1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)o1 ZINC000611407030 348447483 /nfs/dbraw/zinc/44/74/83/348447483.db2.gz VJTNIDRPGSVFGN-CQSZACIVSA-N 1 2 255.321 3.118 20 30 CGEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000611518867 348458357 /nfs/dbraw/zinc/45/83/57/348458357.db2.gz BDUUDNBZJAIIPM-MNOVXSKESA-N 1 2 254.337 3.002 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000612164926 348499346 /nfs/dbraw/zinc/49/93/46/348499346.db2.gz JDFXWOLJEDCQET-SFHVURJKSA-N 1 2 292.386 3.269 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000612164926 348499347 /nfs/dbraw/zinc/49/93/47/348499347.db2.gz JDFXWOLJEDCQET-SFHVURJKSA-N 1 2 292.386 3.269 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406512 348517290 /nfs/dbraw/zinc/51/72/90/348517290.db2.gz NXMSUJQZCFBDGK-MRXNPFEDSA-N 1 2 284.363 3.104 20 30 CGEDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000612406512 348517293 /nfs/dbraw/zinc/51/72/93/348517293.db2.gz NXMSUJQZCFBDGK-MRXNPFEDSA-N 1 2 284.363 3.104 20 30 CGEDLO CCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OC ZINC000612406868 348517363 /nfs/dbraw/zinc/51/73/63/348517363.db2.gz VVXGPAKJACZCFA-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO CCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OC ZINC000612406868 348517366 /nfs/dbraw/zinc/51/73/66/348517366.db2.gz VVXGPAKJACZCFA-QGZVFWFLSA-N 1 2 288.391 3.220 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2cscc2Cl)c1 ZINC000613443265 348604350 /nfs/dbraw/zinc/60/43/50/348604350.db2.gz OEGVWAVQYHPGNE-UHFFFAOYSA-N 1 2 263.753 3.475 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000614402330 348673829 /nfs/dbraw/zinc/67/38/29/348673829.db2.gz UEKPWDXMQQMBQX-SMDDNHRTSA-N 1 2 298.308 3.018 20 30 CGEDLO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000614402330 348673831 /nfs/dbraw/zinc/67/38/31/348673831.db2.gz UEKPWDXMQQMBQX-SMDDNHRTSA-N 1 2 298.308 3.018 20 30 CGEDLO N#Cc1cccnc1/C=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000352006063 219285943 /nfs/dbraw/zinc/28/59/43/219285943.db2.gz GJYMVIQFHQVMKZ-ARJAWSKDSA-N 1 2 278.340 3.371 20 30 CGEDLO C=CCCC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC000617418048 348960191 /nfs/dbraw/zinc/96/01/91/348960191.db2.gz QKJKNMPUAFMXQR-OAHLLOKOSA-N 1 2 289.423 3.477 20 30 CGEDLO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000618283276 349066377 /nfs/dbraw/zinc/06/63/77/349066377.db2.gz DHQFUPMLDGATIP-VXGBXAGGSA-N 1 2 292.345 3.358 20 30 CGEDLO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](C(F)(F)F)O1 ZINC000618283276 349066381 /nfs/dbraw/zinc/06/63/81/349066381.db2.gz DHQFUPMLDGATIP-VXGBXAGGSA-N 1 2 292.345 3.358 20 30 CGEDLO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]c2ccncc12 ZINC000618694053 349145326 /nfs/dbraw/zinc/14/53/26/349145326.db2.gz WYHCHMDGBRFWEM-QGZVFWFLSA-N 1 2 286.338 3.023 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000619286415 349227541 /nfs/dbraw/zinc/22/75/41/349227541.db2.gz MKNMFBOYVIRMKM-BETUJISGSA-N 1 2 280.375 3.035 20 30 CGEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000619286415 349227545 /nfs/dbraw/zinc/22/75/45/349227545.db2.gz MKNMFBOYVIRMKM-BETUJISGSA-N 1 2 280.375 3.035 20 30 CGEDLO C=C[C@@H]([NH2+]C1CCC(CCCC)CC1)C(=O)OC ZINC000619700686 349276568 /nfs/dbraw/zinc/27/65/68/349276568.db2.gz HYJBAESNEUQHDA-JXQTWKCFSA-N 1 2 253.386 3.053 20 30 CGEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccc(F)cc21)C1CC1 ZINC000625283849 350152738 /nfs/dbraw/zinc/15/27/38/350152738.db2.gz PTBLPVOMAKXQAK-UHFFFAOYSA-N 1 2 272.323 3.140 20 30 CGEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccc(F)cc21)C1CC1 ZINC000625283849 350152743 /nfs/dbraw/zinc/15/27/43/350152743.db2.gz PTBLPVOMAKXQAK-UHFFFAOYSA-N 1 2 272.323 3.140 20 30 CGEDLO C=CC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C1CC1 ZINC000271356257 191093051 /nfs/dbraw/zinc/09/30/51/191093051.db2.gz DXHRXAMVILGDPD-SNVBAGLBSA-N 1 2 267.398 3.034 20 30 CGEDLO C=CC[N@H+](Cc1nc([C@@H](C)SCC)no1)C1CC1 ZINC000271356257 191093053 /nfs/dbraw/zinc/09/30/53/191093053.db2.gz DXHRXAMVILGDPD-SNVBAGLBSA-N 1 2 267.398 3.034 20 30 CGEDLO C=CC[C@@H]1CCN(C(=O)Nc2c[nH+]c3c(C)cccn23)C1 ZINC000626613117 350323929 /nfs/dbraw/zinc/32/39/29/350323929.db2.gz DBSKMTYITATLPQ-CYBMUJFWSA-N 1 2 284.363 3.073 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2F)C1 ZINC000628406087 350530062 /nfs/dbraw/zinc/53/00/62/350530062.db2.gz BKPDIOFQDAIFFP-SNVBAGLBSA-N 1 2 299.187 3.381 20 30 CGEDLO C=CC[C@@H]1CC[N@H+](Cc2ncc(Br)cc2F)C1 ZINC000628406087 350530065 /nfs/dbraw/zinc/53/00/65/350530065.db2.gz BKPDIOFQDAIFFP-SNVBAGLBSA-N 1 2 299.187 3.381 20 30 CGEDLO C=CCC(C)(C)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633197647 351254259 /nfs/dbraw/zinc/25/42/59/351254259.db2.gz UPEDAYWCOZJVHE-UHFFFAOYSA-N 1 2 297.402 3.133 20 30 CGEDLO N#Cc1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)s1 ZINC000368270694 234295725 /nfs/dbraw/zinc/29/57/25/234295725.db2.gz AMSUMHSQUAVNKF-GFCCVEGCSA-N 1 2 292.310 3.121 20 30 CGEDLO CC(C)(C#N)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000157947838 188348642 /nfs/dbraw/zinc/34/86/42/188348642.db2.gz OZOVTLPAHJHTEJ-RMKNXTFCSA-N 1 2 297.446 3.257 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)C2)c(C(F)(F)F)c1 ZINC000335405554 283142843 /nfs/dbraw/zinc/14/28/43/283142843.db2.gz DGGOICZKYRHGIU-NSHDSACASA-N 1 2 272.245 3.121 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c(C(F)(F)F)c1 ZINC000335405554 283142846 /nfs/dbraw/zinc/14/28/46/283142846.db2.gz DGGOICZKYRHGIU-NSHDSACASA-N 1 2 272.245 3.121 20 30 CGEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)s1 ZINC000273673513 192256043 /nfs/dbraw/zinc/25/60/43/192256043.db2.gz ZQAWWTKODITEIP-JTQLQIEISA-N 1 2 291.807 3.202 20 30 CGEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000111200988 138364152 /nfs/dbraw/zinc/36/41/52/138364152.db2.gz PFBHHQJVWTVOEA-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000111200988 138364154 /nfs/dbraw/zinc/36/41/54/138364154.db2.gz PFBHHQJVWTVOEA-LBPRGKRZSA-N 1 2 269.323 3.285 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000164166328 799084288 /nfs/dbraw/zinc/08/42/88/799084288.db2.gz BPCZERTYSKOHST-UHFFFAOYSA-N 1 2 262.184 3.039 20 30 CGEDLO CC[N@H+](Cc1cc(COC)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000297664043 200256613 /nfs/dbraw/zinc/25/66/13/200256613.db2.gz JSMSNUGPYQDXMO-ZDUSSCGKSA-N 1 2 299.374 3.276 20 30 CGEDLO CC[N@@H+](Cc1cc(COC)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000297664043 200256615 /nfs/dbraw/zinc/25/66/15/200256615.db2.gz JSMSNUGPYQDXMO-ZDUSSCGKSA-N 1 2 299.374 3.276 20 30 CGEDLO C=C[C@@H](CC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000179323827 189186266 /nfs/dbraw/zinc/18/62/66/189186266.db2.gz MQXMFYGCVPHGRE-INIZCTEOSA-N 1 2 297.402 3.092 20 30 CGEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000121338005 370853345 /nfs/dbraw/zinc/85/33/45/370853345.db2.gz CSCPUWIXYVBFPI-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000121338005 370853351 /nfs/dbraw/zinc/85/33/51/370853351.db2.gz CSCPUWIXYVBFPI-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CC[N@@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000121472821 370863745 /nfs/dbraw/zinc/86/37/45/370863745.db2.gz KLSCFPUTFMKFEM-UHFFFAOYSA-N 1 2 258.390 3.352 20 30 CGEDLO C=CC[N@H+](C)Cc1csc(Cc2ccccc2)n1 ZINC000121472821 370863752 /nfs/dbraw/zinc/86/37/52/370863752.db2.gz KLSCFPUTFMKFEM-UHFFFAOYSA-N 1 2 258.390 3.352 20 30 CGEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000121500777 370867369 /nfs/dbraw/zinc/86/73/69/370867369.db2.gz MNMJGJORQJJEOM-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CC[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000121500777 370867371 /nfs/dbraw/zinc/86/73/71/370867371.db2.gz MNMJGJORQJJEOM-UHFFFAOYSA-N 1 2 263.728 3.008 20 30 CGEDLO C=CCOc1cccc(C[N@@H+](C)C(C)(C)C(=O)OCC)c1 ZINC000125005258 370929322 /nfs/dbraw/zinc/92/93/22/370929322.db2.gz MJXHOCANALJKAR-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO C=CCOc1cccc(C[N@H+](C)C(C)(C)C(=O)OCC)c1 ZINC000125005258 370929325 /nfs/dbraw/zinc/92/93/25/370929325.db2.gz MJXHOCANALJKAR-UHFFFAOYSA-N 1 2 291.391 3.025 20 30 CGEDLO N#Cc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000035040791 368992563 /nfs/dbraw/zinc/99/25/63/368992563.db2.gz BWRGNGPUKRTKSF-UHFFFAOYSA-N 1 2 274.327 3.356 20 30 CGEDLO CC#CC[N@H+](C)Cc1ccc(F)cc1Br ZINC000574335714 335011521 /nfs/dbraw/zinc/01/15/21/335011521.db2.gz ATLNZDOXPMZCBN-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CC#CC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000574335714 335011522 /nfs/dbraw/zinc/01/15/22/335011522.db2.gz ATLNZDOXPMZCBN-UHFFFAOYSA-N 1 2 270.145 3.043 20 30 CGEDLO CCOc1c(Cl)cc(C[N@H+](CC)CCC#N)cc1OC ZINC000127596553 370954477 /nfs/dbraw/zinc/95/44/77/370954477.db2.gz VBWLCQYPJURBHU-UHFFFAOYSA-N 1 2 296.798 3.483 20 30 CGEDLO CCOc1c(Cl)cc(C[N@@H+](CC)CCC#N)cc1OC ZINC000127596553 370954487 /nfs/dbraw/zinc/95/44/87/370954487.db2.gz VBWLCQYPJURBHU-UHFFFAOYSA-N 1 2 296.798 3.483 20 30 CGEDLO CC[N@H+](CCC#N)Cc1cc(OC)ccc1OC(F)F ZINC000127629006 370955144 /nfs/dbraw/zinc/95/51/44/370955144.db2.gz FPDGGLCOICYODU-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1cc(OC)ccc1OC(F)F ZINC000127629006 370955148 /nfs/dbraw/zinc/95/51/48/370955148.db2.gz FPDGGLCOICYODU-UHFFFAOYSA-N 1 2 284.306 3.032 20 30 CGEDLO C=C(C)COc1cc(C[N@H+](CC)CCC#N)ccc1OC ZINC000127683207 370956457 /nfs/dbraw/zinc/95/64/57/370956457.db2.gz GAEMLEWGSXAHSU-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO C=C(C)COc1cc(C[N@@H+](CC)CCC#N)ccc1OC ZINC000127683207 370956462 /nfs/dbraw/zinc/95/64/62/370956462.db2.gz GAEMLEWGSXAHSU-UHFFFAOYSA-N 1 2 288.391 3.386 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000129576087 370992594 /nfs/dbraw/zinc/99/25/94/370992594.db2.gz MUMWBIXZJQXXPF-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000129576087 370992600 /nfs/dbraw/zinc/99/26/00/370992600.db2.gz MUMWBIXZJQXXPF-LLVKDONJSA-N 1 2 286.297 3.362 20 30 CGEDLO C=CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580948 369647071 /nfs/dbraw/zinc/64/70/71/369647071.db2.gz SASKGCFOGWIMEF-CYBMUJFWSA-N 1 2 282.181 3.008 20 30 CGEDLO C=CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580948 369647076 /nfs/dbraw/zinc/64/70/76/369647076.db2.gz SASKGCFOGWIMEF-CYBMUJFWSA-N 1 2 282.181 3.008 20 30 CGEDLO C=CC[N@@H+](Cc1cnn(CC)c1)Cc1ccccc1F ZINC000092404552 370096845 /nfs/dbraw/zinc/09/68/45/370096845.db2.gz GOJMXUZVXWOJPZ-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO C=CC[N@H+](Cc1cnn(CC)c1)Cc1ccccc1F ZINC000092404552 370096847 /nfs/dbraw/zinc/09/68/47/370096847.db2.gz GOJMXUZVXWOJPZ-UHFFFAOYSA-N 1 2 273.355 3.230 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H](C)CC#N)s2)o1 ZINC000093091098 370107877 /nfs/dbraw/zinc/10/78/77/370107877.db2.gz GKASFRYYJRPHRQ-JTQLQIEISA-N 1 2 275.377 3.446 20 30 CGEDLO Cc1ccc(-c2ncc(C[N@H+](C)[C@@H](C)CC#N)s2)o1 ZINC000093091098 370107882 /nfs/dbraw/zinc/10/78/82/370107882.db2.gz GKASFRYYJRPHRQ-JTQLQIEISA-N 1 2 275.377 3.446 20 30 CGEDLO C=C(C)CN(CC)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000097205222 370234238 /nfs/dbraw/zinc/23/42/38/370234238.db2.gz BJMPUHSMGOCZTI-UHFFFAOYSA-N 1 2 293.374 3.218 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000103966545 370336300 /nfs/dbraw/zinc/33/63/00/370336300.db2.gz LHQFSBKUCLDHBZ-UHFFFAOYSA-N 1 2 288.310 3.201 20 30 CGEDLO CC(C)(C)OC(=O)[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000136110734 371461673 /nfs/dbraw/zinc/46/16/73/371461673.db2.gz WSUSIROFYJAOOK-OAHLLOKOSA-N 1 2 288.391 3.353 20 30 CGEDLO CCOc1ccc(OCC[N@H+](CC#N)C2CCCC2)cc1 ZINC000156646443 371990321 /nfs/dbraw/zinc/99/03/21/371990321.db2.gz ULTWIAFXNWWCHF-UHFFFAOYSA-N 1 2 288.391 3.232 20 30 CGEDLO CCOc1ccc(OCC[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156646443 371990328 /nfs/dbraw/zinc/99/03/28/371990328.db2.gz ULTWIAFXNWWCHF-UHFFFAOYSA-N 1 2 288.391 3.232 20 30 CGEDLO N#CC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000156808075 371995889 /nfs/dbraw/zinc/99/58/89/371995889.db2.gz DJRZNYQWTWMYHW-UHFFFAOYSA-N 1 2 297.171 3.324 20 30 CGEDLO C=CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC1 ZINC000425237357 372118178 /nfs/dbraw/zinc/11/81/78/372118178.db2.gz RVYNDFUFWOBZFF-MRXNPFEDSA-N 1 2 295.386 3.109 20 30 CGEDLO C=CC[N@@H+](Cc1cc(C)ncn1)Cc1ccccc1F ZINC000292151358 372183171 /nfs/dbraw/zinc/18/31/71/372183171.db2.gz JKPVXFFJHBPEJF-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C=CC[N@H+](Cc1cc(C)ncn1)Cc1ccccc1F ZINC000292151358 372183175 /nfs/dbraw/zinc/18/31/75/372183175.db2.gz JKPVXFFJHBPEJF-UHFFFAOYSA-N 1 2 271.339 3.112 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc2O1 ZINC000429176313 372320567 /nfs/dbraw/zinc/32/05/67/372320567.db2.gz NOAUZYYZVCRXPP-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc2O1 ZINC000429176313 372320569 /nfs/dbraw/zinc/32/05/69/372320569.db2.gz NOAUZYYZVCRXPP-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO CC#CC[N@@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000293334567 372357266 /nfs/dbraw/zinc/35/72/66/372357266.db2.gz YIAPALPLNNWTSX-UHFFFAOYSA-N 1 2 284.359 3.195 20 30 CGEDLO CC#CC[N@H+](C)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000293334567 372357271 /nfs/dbraw/zinc/35/72/71/372357271.db2.gz YIAPALPLNNWTSX-UHFFFAOYSA-N 1 2 284.359 3.195 20 30 CGEDLO CN(Cc1cccc(C#N)c1)c1[nH+]c2ccc(F)cc2n1C ZINC000431023566 372418118 /nfs/dbraw/zinc/41/81/18/372418118.db2.gz RPVAPWFVLZFPBB-UHFFFAOYSA-N 1 2 294.333 3.220 20 30 CGEDLO C[N@H+](Cc1ccc(Oc2ccccc2)nn1)CC(C)(C)C#N ZINC000433291619 372586177 /nfs/dbraw/zinc/58/61/77/372586177.db2.gz WSZVQCCHKHCQAN-UHFFFAOYSA-N 1 2 296.374 3.250 20 30 CGEDLO C[N@@H+](Cc1ccc(Oc2ccccc2)nn1)CC(C)(C)C#N ZINC000433291619 372586181 /nfs/dbraw/zinc/58/61/81/372586181.db2.gz WSZVQCCHKHCQAN-UHFFFAOYSA-N 1 2 296.374 3.250 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433307372 372587488 /nfs/dbraw/zinc/58/74/88/372587488.db2.gz VHELAIFWBHTSCX-CYBMUJFWSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433307372 372587496 /nfs/dbraw/zinc/58/74/96/372587496.db2.gz VHELAIFWBHTSCX-CYBMUJFWSA-N 1 2 287.407 3.058 20 30 CGEDLO C=CCC(C)(C)CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000432172373 372544025 /nfs/dbraw/zinc/54/40/25/372544025.db2.gz MYUSBUFMKKNRBE-UHFFFAOYSA-N 1 2 282.391 3.283 20 30 CGEDLO C=CCCCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436494243 372836295 /nfs/dbraw/zinc/83/62/95/372836295.db2.gz NDXWBFXEIHXKNH-UHFFFAOYSA-N 1 2 261.369 3.437 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000437580927 372852154 /nfs/dbraw/zinc/85/21/54/372852154.db2.gz RFYBBOISEIWHMQ-IBGZPJMESA-N 1 2 295.357 3.251 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000437580927 372852162 /nfs/dbraw/zinc/85/21/62/372852162.db2.gz RFYBBOISEIWHMQ-IBGZPJMESA-N 1 2 295.357 3.251 20 30 CGEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(C#N)cs2)cs1 ZINC000344711701 217284455 /nfs/dbraw/zinc/28/44/55/217284455.db2.gz NBUABCUXGSESAV-VIFPVBQESA-N 1 2 293.417 3.073 20 30 CGEDLO CC[C@]1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000442882201 373115977 /nfs/dbraw/zinc/11/59/77/373115977.db2.gz CKJCYHKZJZSDGU-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@]1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000442882201 373115978 /nfs/dbraw/zinc/11/59/78/373115978.db2.gz CKJCYHKZJZSDGU-MRXNPFEDSA-N 1 2 277.795 3.192 20 30 CGEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CCCCC1 ZINC000444223734 373175849 /nfs/dbraw/zinc/17/58/49/373175849.db2.gz JLQYDIHQIWXVFX-UHFFFAOYSA-N 1 2 293.455 3.087 20 30 CGEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CCCCC1 ZINC000444223734 373175853 /nfs/dbraw/zinc/17/58/53/373175853.db2.gz JLQYDIHQIWXVFX-UHFFFAOYSA-N 1 2 293.455 3.087 20 30 CGEDLO COc1cc2ccccc2cc1C[N@H+](C)C[C@H](C)C#N ZINC000449019716 373657240 /nfs/dbraw/zinc/65/72/40/373657240.db2.gz XBJMAVJJBVHYEK-CYBMUJFWSA-N 1 2 268.360 3.440 20 30 CGEDLO COc1cc2ccccc2cc1C[N@@H+](C)C[C@H](C)C#N ZINC000449019716 373657248 /nfs/dbraw/zinc/65/72/48/373657248.db2.gz XBJMAVJJBVHYEK-CYBMUJFWSA-N 1 2 268.360 3.440 20 30 CGEDLO C=CCc1cc(C[NH2+][C@@H](C)C(C)(F)F)cc(OC)c1O ZINC000449411895 373689359 /nfs/dbraw/zinc/68/93/59/373689359.db2.gz DAXGPSYLRZHCAW-JTQLQIEISA-N 1 2 285.334 3.263 20 30 CGEDLO COc1cccc2c1cc[nH+]c2NCC1(CC#N)CC1 ZINC000450502460 374157671 /nfs/dbraw/zinc/15/76/71/374157671.db2.gz PKXJPTQGMRRIBY-UHFFFAOYSA-N 1 2 267.332 3.349 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@H](C)c2nc(C)cs2)c1 ZINC000182164353 374228021 /nfs/dbraw/zinc/22/80/21/374228021.db2.gz CXMQRFSDIBMZTA-MDKXCRPYSA-N 1 2 290.388 3.388 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(F)F ZINC000453254877 374372883 /nfs/dbraw/zinc/37/28/83/374372883.db2.gz YMFWSTKJMNZETP-PRHODGIISA-N 1 2 256.271 3.392 20 30 CGEDLO C[C@H]1C[C@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC1=O ZINC000328946436 374396437 /nfs/dbraw/zinc/39/64/37/374396437.db2.gz VKHHRUCXVCGMEE-QWHCGFSZSA-N 1 2 297.358 3.466 20 30 CGEDLO O=C(Nc1cccc2c1OCCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000329838869 374434033 /nfs/dbraw/zinc/43/40/33/374434033.db2.gz IXSDRKVIMRMAOD-ZDUSSCGKSA-N 1 2 297.358 3.059 20 30 CGEDLO CC(C)OC(=O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000453324466 374420168 /nfs/dbraw/zinc/42/01/68/374420168.db2.gz VZLZJHYUIRRSJD-BBRMVZONSA-N 1 2 288.391 3.185 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183828530 374461473 /nfs/dbraw/zinc/46/14/73/374461473.db2.gz HIEBAMIQAWGDCA-NSHDSACASA-N 1 2 285.303 3.104 20 30 CGEDLO COC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(C)o1 ZINC000184714669 374555026 /nfs/dbraw/zinc/55/50/26/374555026.db2.gz ZSKRAILEFAPWJK-OAHLLOKOSA-N 1 2 288.322 3.076 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185381324 374652314 /nfs/dbraw/zinc/65/23/14/374652314.db2.gz UVOPKEOQWPMQMM-ZDUSSCGKSA-N 1 2 269.348 3.413 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341895 374671846 /nfs/dbraw/zinc/67/18/46/374671846.db2.gz PBLJINIZVHGYBQ-CMPLNLGQSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ccc(F)c(F)c3C2)C1 ZINC000334341895 374671856 /nfs/dbraw/zinc/67/18/56/374671856.db2.gz PBLJINIZVHGYBQ-CMPLNLGQSA-N 1 2 262.303 3.015 20 30 CGEDLO C#CCC(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000186020203 374784551 /nfs/dbraw/zinc/78/45/51/374784551.db2.gz DJPAUOKIBMWXOF-UHFFFAOYSA-N 1 2 267.332 3.065 20 30 CGEDLO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187163688 374982561 /nfs/dbraw/zinc/98/25/61/374982561.db2.gz LBKWPAXSRLAOPN-MRXNPFEDSA-N 1 2 292.810 3.459 20 30 CGEDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187163688 374982565 /nfs/dbraw/zinc/98/25/65/374982565.db2.gz LBKWPAXSRLAOPN-MRXNPFEDSA-N 1 2 292.810 3.459 20 30 CGEDLO Cn1c[nH+]cc1CSc1ccc(C#N)cc1Cl ZINC000334707616 374992975 /nfs/dbraw/zinc/99/29/75/374992975.db2.gz JVWJNXWDYZUWIK-UHFFFAOYSA-N 1 2 263.753 3.237 20 30 CGEDLO C=CCCCC[NH2+][C@@H](Cc1ccc(C)cc1)C(=O)OC ZINC000481596321 375165525 /nfs/dbraw/zinc/16/55/25/375165525.db2.gz QFFRFASYHOSDEL-INIZCTEOSA-N 1 2 275.392 3.025 20 30 CGEDLO Cc1cc2[nH]c(C[N@@H+](C)C[C@H](C)C#N)cc2c(C)c1 ZINC000481887794 375167701 /nfs/dbraw/zinc/16/77/01/375167701.db2.gz CMHFLQDIXYQCBG-GFCCVEGCSA-N 1 2 255.365 3.376 20 30 CGEDLO Cc1cc2[nH]c(C[N@H+](C)C[C@H](C)C#N)cc2c(C)c1 ZINC000481887794 375167705 /nfs/dbraw/zinc/16/77/05/375167705.db2.gz CMHFLQDIXYQCBG-GFCCVEGCSA-N 1 2 255.365 3.376 20 30 CGEDLO N#CCC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000335782473 375425645 /nfs/dbraw/zinc/42/56/45/375425645.db2.gz GCXYIDXWUTWMCW-UHFFFAOYSA-N 1 2 250.292 3.058 20 30 CGEDLO Cc1cc(N)nc(S[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000189809545 375449136 /nfs/dbraw/zinc/44/91/36/375449136.db2.gz FIULKNRMAWSCBG-SNVBAGLBSA-N 1 2 270.361 3.092 20 30 CGEDLO CC1(C)C[NH+](Cc2ccc(F)cc2C#N)CC(C)(C)O1 ZINC000190524045 375519075 /nfs/dbraw/zinc/51/90/75/375519075.db2.gz SFAKWBQFZIUDRX-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1ncc(-c2ccccc2)s1 ZINC000191758917 375659242 /nfs/dbraw/zinc/65/92/42/375659242.db2.gz MNKUDOCYGGFYEB-UHFFFAOYSA-N 1 2 288.416 3.445 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1ncc(-c2ccccc2)s1 ZINC000191758917 375659249 /nfs/dbraw/zinc/65/92/49/375659249.db2.gz MNKUDOCYGGFYEB-UHFFFAOYSA-N 1 2 288.416 3.445 20 30 CGEDLO C(#Cc1ccccc1)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000191960708 375684415 /nfs/dbraw/zinc/68/44/15/375684415.db2.gz VVXRQPTYGJKYRA-IBGZPJMESA-N 1 2 295.382 3.312 20 30 CGEDLO C(#Cc1ccccc1)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000191960708 375684420 /nfs/dbraw/zinc/68/44/20/375684420.db2.gz VVXRQPTYGJKYRA-IBGZPJMESA-N 1 2 295.382 3.312 20 30 CGEDLO C=CC[N@H+](Cc1cccs1)Cc1cccnc1OC ZINC000193292859 375854550 /nfs/dbraw/zinc/85/45/50/375854550.db2.gz JNQLYJAQOHHHJL-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CC[N@@H+](Cc1cccs1)Cc1cccnc1OC ZINC000193292859 375854555 /nfs/dbraw/zinc/85/45/55/375854555.db2.gz JNQLYJAQOHHHJL-UHFFFAOYSA-N 1 2 274.389 3.340 20 30 CGEDLO C=CCC[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC000193617703 375898727 /nfs/dbraw/zinc/89/87/27/375898727.db2.gz OVPSDBHDRVERID-KRWDZBQOSA-N 1 2 297.402 3.176 20 30 CGEDLO Cc1ccc(CCNc2nc3c(cc2C#N)CCCC3)c[nH+]1 ZINC000536576566 376098686 /nfs/dbraw/zinc/09/86/86/376098686.db2.gz YFZQPMGCDVQLRX-UHFFFAOYSA-N 1 2 292.386 3.190 20 30 CGEDLO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000536645361 376107065 /nfs/dbraw/zinc/10/70/65/376107065.db2.gz QXQBZFYSTBRMNC-YVMONPNESA-N 1 2 273.336 3.232 20 30 CGEDLO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000536645361 376107072 /nfs/dbraw/zinc/10/70/72/376107072.db2.gz QXQBZFYSTBRMNC-YVMONPNESA-N 1 2 273.336 3.232 20 30 CGEDLO N#CCc1ccc(C[N@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000337522373 376227363 /nfs/dbraw/zinc/22/73/63/376227363.db2.gz PYOPFBLSEVYEIH-AWEZNQCLSA-N 1 2 264.319 3.372 20 30 CGEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000337522373 376227367 /nfs/dbraw/zinc/22/73/67/376227367.db2.gz PYOPFBLSEVYEIH-AWEZNQCLSA-N 1 2 264.319 3.372 20 30 CGEDLO CCn1cc[nH+]c1CNc1ccc(C#N)cc1Cl ZINC000225234926 376298755 /nfs/dbraw/zinc/29/87/55/376298755.db2.gz WISKMKGLYSWABQ-UHFFFAOYSA-N 1 2 260.728 3.040 20 30 CGEDLO C[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccc(C#N)cc1 ZINC000338393924 376361131 /nfs/dbraw/zinc/36/11/31/376361131.db2.gz XIRUGUNFODAUHQ-NSHDSACASA-N 1 2 294.314 3.052 20 30 CGEDLO CC#CC[N@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000339751636 376835571 /nfs/dbraw/zinc/83/55/71/376835571.db2.gz HDZZGHBQVPDVNM-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO CC#CC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000339751636 376835580 /nfs/dbraw/zinc/83/55/80/376835580.db2.gz HDZZGHBQVPDVNM-LLVKDONJSA-N 1 2 289.766 3.406 20 30 CGEDLO CC1(C)C[N@H+](C[C@@H](C#N)CCC#N)CC[C@H]1C(F)(F)F ZINC000248791154 377403063 /nfs/dbraw/zinc/40/30/63/377403063.db2.gz NRDRDRLVICDUJO-VXGBXAGGSA-N 1 2 287.329 3.340 20 30 CGEDLO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)CC[C@H]1C(F)(F)F ZINC000248791154 377403071 /nfs/dbraw/zinc/40/30/71/377403071.db2.gz NRDRDRLVICDUJO-VXGBXAGGSA-N 1 2 287.329 3.340 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000249881156 377537995 /nfs/dbraw/zinc/53/79/95/377537995.db2.gz NNJMGDURKQDCHM-KGLIPLIRSA-N 1 2 287.407 3.058 20 30 CGEDLO CCc1ccc(NC(=O)[C@H](C)[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000249881156 377538007 /nfs/dbraw/zinc/53/80/07/377538007.db2.gz NNJMGDURKQDCHM-KGLIPLIRSA-N 1 2 287.407 3.058 20 30 CGEDLO C=C(C)[C@@H](NCc1[nH+]cc(C)n1C)c1ccc(F)c(F)c1 ZINC000341400372 377551968 /nfs/dbraw/zinc/55/19/68/377551968.db2.gz XBBVQJBTUAKJMW-MRXNPFEDSA-N 1 2 291.345 3.414 20 30 CGEDLO C=C(C)[C@@H]([NH2+]Cc1ncc(C)n1C)c1ccc(F)c(F)c1 ZINC000341400372 377551982 /nfs/dbraw/zinc/55/19/82/377551982.db2.gz XBBVQJBTUAKJMW-MRXNPFEDSA-N 1 2 291.345 3.414 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)nc1 ZINC000516580963 249237709 /nfs/dbraw/zinc/23/77/09/249237709.db2.gz XUGCTKKYLCSPNL-INIZCTEOSA-N 1 2 279.343 3.273 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)nc1 ZINC000516580963 249237711 /nfs/dbraw/zinc/23/77/11/249237711.db2.gz XUGCTKKYLCSPNL-INIZCTEOSA-N 1 2 279.343 3.273 20 30 CGEDLO C=C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000342372882 377642333 /nfs/dbraw/zinc/64/23/33/377642333.db2.gz KDWBDOBCJVFRFI-UHFFFAOYSA-N 1 2 288.782 3.073 20 30 CGEDLO N#Cc1csc(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000343339381 377956090 /nfs/dbraw/zinc/95/60/90/377956090.db2.gz CVFDWNZYNQSFCU-UHFFFAOYSA-N 1 2 284.388 3.227 20 30 CGEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000266008516 378013821 /nfs/dbraw/zinc/01/38/21/378013821.db2.gz MWKVOCSHSGGRGK-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000266008516 378013824 /nfs/dbraw/zinc/01/38/24/378013824.db2.gz MWKVOCSHSGGRGK-HNNXBMFYSA-N 1 2 276.355 3.139 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2c(C)cccc2CC)CC1 ZINC000264423958 377984533 /nfs/dbraw/zinc/98/45/33/377984533.db2.gz AWYQJUDJEOOERR-UHFFFAOYSA-N 1 2 272.392 3.148 20 30 CGEDLO C=C1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000264457923 377988599 /nfs/dbraw/zinc/98/85/99/377988599.db2.gz JRCOGSUVNAPBLE-UHFFFAOYSA-N 1 2 261.756 3.140 20 30 CGEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCCC#N)c1 ZINC000578619311 378086184 /nfs/dbraw/zinc/08/61/84/378086184.db2.gz JXYZBMYSMVILSB-UHFFFAOYSA-N 1 2 286.404 3.101 20 30 CGEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCCC#N)c1 ZINC000578619311 378086191 /nfs/dbraw/zinc/08/61/91/378086191.db2.gz JXYZBMYSMVILSB-UHFFFAOYSA-N 1 2 286.404 3.101 20 30 CGEDLO CC#CC[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000580906261 378268143 /nfs/dbraw/zinc/26/81/43/378268143.db2.gz MZMMFSPSCDUXAD-UHFFFAOYSA-N 1 2 277.236 3.439 20 30 CGEDLO CC#CC[N@@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F ZINC000580906261 378268148 /nfs/dbraw/zinc/26/81/48/378268148.db2.gz MZMMFSPSCDUXAD-UHFFFAOYSA-N 1 2 277.236 3.439 20 30 CGEDLO Cn1cc([C@H]2C[N@@H+]([C@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505939 378402085 /nfs/dbraw/zinc/40/20/85/378402085.db2.gz XWNOAKLXQNUBQZ-IAGOWNOFSA-N 1 2 294.402 3.110 20 30 CGEDLO Cn1cc([C@H]2C[N@H+]([C@H](C#N)c3ccccc3)CC2(C)C)cn1 ZINC000595505939 378402091 /nfs/dbraw/zinc/40/20/91/378402091.db2.gz XWNOAKLXQNUBQZ-IAGOWNOFSA-N 1 2 294.402 3.110 20 30 CGEDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000584090955 378373304 /nfs/dbraw/zinc/37/33/04/378373304.db2.gz NGGVBKIMMIZGAJ-MRVPVSSYSA-N 1 2 292.795 3.222 20 30 CGEDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)s1 ZINC000584090956 378373626 /nfs/dbraw/zinc/37/36/26/378373626.db2.gz NGGVBKIMMIZGAJ-QMMMGPOBSA-N 1 2 292.795 3.222 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000271109226 378454720 /nfs/dbraw/zinc/45/47/20/378454720.db2.gz ALRUZRFPMMXEOI-VIFPVBQESA-N 1 2 272.270 3.019 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000271109226 378454728 /nfs/dbraw/zinc/45/47/28/378454728.db2.gz ALRUZRFPMMXEOI-VIFPVBQESA-N 1 2 272.270 3.019 20 30 CGEDLO C[C@@H]([NH2+]Cc1nccs1)c1ccc(C#N)c(F)c1 ZINC000346138006 378477341 /nfs/dbraw/zinc/47/73/41/378477341.db2.gz SFTNJSSMLCDEEM-SECBINFHSA-N 1 2 261.325 3.005 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000271352628 378489664 /nfs/dbraw/zinc/48/96/64/378489664.db2.gz LRQMUORHWUOFQV-JHBBZFSESA-N 1 2 277.364 3.025 20 30 CGEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C(C)C)o1 ZINC000272226281 378589551 /nfs/dbraw/zinc/58/95/51/378589551.db2.gz CXAJTBHKTXDIME-UHFFFAOYSA-N 1 2 275.352 3.017 20 30 CGEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C(C)C)o1 ZINC000272226281 378589560 /nfs/dbraw/zinc/58/95/60/378589560.db2.gz CXAJTBHKTXDIME-UHFFFAOYSA-N 1 2 275.352 3.017 20 30 CGEDLO C=C1CC[NH+](Cc2nnn(-c3ccccc3)c2C2CC2)CC1 ZINC000638031222 378677477 /nfs/dbraw/zinc/67/74/77/378677477.db2.gz GENVZJLJQAFBTB-UHFFFAOYSA-N 1 2 294.402 3.297 20 30 CGEDLO C=CCOCCC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000348050496 378768072 /nfs/dbraw/zinc/76/80/72/378768072.db2.gz KBZMVVNEAYYTEA-UHFFFAOYSA-N 1 2 294.342 3.186 20 30 CGEDLO C=CCOCCC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000348050496 378768078 /nfs/dbraw/zinc/76/80/78/378768078.db2.gz KBZMVVNEAYYTEA-UHFFFAOYSA-N 1 2 294.342 3.186 20 30 CGEDLO C=C(C)C[N@@H+](Cc1nccn1CC)Cc1ccccc1 ZINC000348235062 378854716 /nfs/dbraw/zinc/85/47/16/378854716.db2.gz UCAOADFAWIEEBG-UHFFFAOYSA-N 1 2 269.392 3.481 20 30 CGEDLO C=C(C)C[N@H+](Cc1nccn1CC)Cc1ccccc1 ZINC000348235062 378854721 /nfs/dbraw/zinc/85/47/21/378854721.db2.gz UCAOADFAWIEEBG-UHFFFAOYSA-N 1 2 269.392 3.481 20 30 CGEDLO C=C[C@@H](CC(=O)NCc1c[nH+]ccc1OC)c1ccccc1 ZINC000348301120 378893409 /nfs/dbraw/zinc/89/34/09/378893409.db2.gz ILRFDUMKIOVMRW-AWEZNQCLSA-N 1 2 296.370 3.066 20 30 CGEDLO C=CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278632284 194077001 /nfs/dbraw/zinc/07/70/01/194077001.db2.gz OIRMHFGYZJCETJ-UHFFFAOYSA-N 1 2 296.374 3.194 20 30 CGEDLO C=C[C@](C)(CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000276953838 379030492 /nfs/dbraw/zinc/03/04/92/379030492.db2.gz QXIVHGRBVMJJAI-OAHLLOKOSA-N 1 2 257.337 3.184 20 30 CGEDLO COCc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000266495432 190261165 /nfs/dbraw/zinc/26/11/65/190261165.db2.gz AOCNLIGGPIKLQS-NSHDSACASA-N 1 2 287.388 3.012 20 30 CGEDLO C=CCCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000279426119 379431455 /nfs/dbraw/zinc/43/14/55/379431455.db2.gz KMRZQBBQXHUAEZ-UHFFFAOYSA-N 1 2 254.337 3.225 20 30 CGEDLO Cc1ccc(-c2nc(C[NH+]3CCC(F)(C#N)CC3)co2)cc1 ZINC000352489481 379835616 /nfs/dbraw/zinc/83/56/16/379835616.db2.gz AKJRGLOAGGUEPD-UHFFFAOYSA-N 1 2 299.349 3.478 20 30 CGEDLO N#Cc1csc(CNc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000352838895 379994562 /nfs/dbraw/zinc/99/45/62/379994562.db2.gz RHTNROABJONYPP-UHFFFAOYSA-N 1 2 299.403 3.012 20 30 CGEDLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)no1 ZINC000283433687 380063922 /nfs/dbraw/zinc/06/39/22/380063922.db2.gz HLWKDWMCMQGEGV-RYUDHWBXSA-N 1 2 255.321 3.267 20 30 CGEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1c(F)cncc1F ZINC000353120857 380124631 /nfs/dbraw/zinc/12/46/31/380124631.db2.gz RGVXGLMOZMPIOC-MRVPVSSYSA-N 1 2 279.315 3.144 20 30 CGEDLO CC(C)c1nc(N[C@@H]2CCCc3cc(C#N)ccc32)cc[nH+]1 ZINC000419017319 380764511 /nfs/dbraw/zinc/76/45/11/380764511.db2.gz QWUFGAOOLXBNIF-MRXNPFEDSA-N 1 2 292.386 3.383 20 30 CGEDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356056326 380788542 /nfs/dbraw/zinc/78/85/42/380788542.db2.gz MFUNSALBEILQIV-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356056326 380788551 /nfs/dbraw/zinc/78/85/51/380788551.db2.gz MFUNSALBEILQIV-NSHDSACASA-N 1 2 257.362 3.208 20 30 CGEDLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000356959136 380956454 /nfs/dbraw/zinc/95/64/54/380956454.db2.gz XLYSPFPTRZQMLB-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000356959136 380956461 /nfs/dbraw/zinc/95/64/61/380956461.db2.gz XLYSPFPTRZQMLB-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO CC#CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000362230767 381912997 /nfs/dbraw/zinc/91/29/97/381912997.db2.gz PKENJVLQNWIZNJ-UHFFFAOYSA-N 1 2 267.332 3.004 20 30 CGEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000335345436 208239656 /nfs/dbraw/zinc/23/96/56/208239656.db2.gz WMZXWVKGYOVAPF-UHFFFAOYSA-N 1 2 268.282 3.174 20 30 CGEDLO N#CCCC[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000575072829 335062180 /nfs/dbraw/zinc/06/21/80/335062180.db2.gz GQEOLHXJBPHWOO-HNNXBMFYSA-N 1 2 296.374 3.472 20 30 CGEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000367222364 533269404 /nfs/dbraw/zinc/26/94/04/533269404.db2.gz CEQCDUUEMRFXRJ-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000367222364 533269409 /nfs/dbraw/zinc/26/94/09/533269409.db2.gz CEQCDUUEMRFXRJ-MRXNPFEDSA-N 1 2 296.374 3.017 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(O)c1 ZINC000428311246 533455031 /nfs/dbraw/zinc/45/50/31/533455031.db2.gz BISOWZKFZSVRCB-LLVKDONJSA-N 1 2 270.307 3.254 20 30 CGEDLO Cn1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1C#N ZINC000191612229 130263875 /nfs/dbraw/zinc/26/38/75/130263875.db2.gz IPHDDPMOJIBGPZ-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO Cn1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1C#N ZINC000191612229 130263877 /nfs/dbraw/zinc/26/38/77/130263877.db2.gz IPHDDPMOJIBGPZ-UHFFFAOYSA-N 1 2 285.778 3.108 20 30 CGEDLO C=CCC[C@@H](CC)[N@@H+]1CCOC[C@H]1c1nnc(C(C)C)o1 ZINC000282971237 392298792 /nfs/dbraw/zinc/29/87/92/392298792.db2.gz IOHLZSJMCUBHRC-KGLIPLIRSA-N 1 2 293.411 3.311 20 30 CGEDLO C=CCC[C@@H](CC)[N@H+]1CCOC[C@H]1c1nnc(C(C)C)o1 ZINC000282971237 392298795 /nfs/dbraw/zinc/29/87/95/392298795.db2.gz IOHLZSJMCUBHRC-KGLIPLIRSA-N 1 2 293.411 3.311 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccco1 ZINC000285900110 392345961 /nfs/dbraw/zinc/34/59/61/392345961.db2.gz BIHZZKQKKUBZMG-ZDUSSCGKSA-N 1 2 286.379 3.005 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H](C)C2CCOCC2)c1 ZINC000122893841 392424243 /nfs/dbraw/zinc/42/42/43/392424243.db2.gz CJNHLPQYFDUTBW-OOIIIRTPSA-N 1 2 277.364 3.025 20 30 CGEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000161768535 392586836 /nfs/dbraw/zinc/58/68/36/392586836.db2.gz WOFDVDHYCNMDEC-UHFFFAOYSA-N 1 2 288.310 3.201 20 30 CGEDLO C=CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182596626 392748041 /nfs/dbraw/zinc/74/80/41/392748041.db2.gz XFTXNFOPKQAMHZ-CYBMUJFWSA-N 1 2 271.282 3.265 20 30 CGEDLO C=CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182596626 392748044 /nfs/dbraw/zinc/74/80/44/392748044.db2.gz XFTXNFOPKQAMHZ-CYBMUJFWSA-N 1 2 271.282 3.265 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000338352318 392910773 /nfs/dbraw/zinc/91/07/73/392910773.db2.gz JUDORXDJHIMLFL-LLVKDONJSA-N 1 2 280.318 3.412 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000338352318 392910777 /nfs/dbraw/zinc/91/07/77/392910777.db2.gz JUDORXDJHIMLFL-LLVKDONJSA-N 1 2 280.318 3.412 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000343064312 393018421 /nfs/dbraw/zinc/01/84/21/393018421.db2.gz QRCBNWZHIWQBMX-GWCFXTLKSA-N 1 2 286.297 3.494 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccsc2Cl)CC1 ZINC000348707647 393128718 /nfs/dbraw/zinc/12/87/18/393128718.db2.gz JNWDIXFJSBTCIO-UHFFFAOYSA-N 1 2 258.749 3.229 20 30 CGEDLO Cc1ccc(Br)cc1C[N@H+](C)CCC#N ZINC000258893263 393138058 /nfs/dbraw/zinc/13/80/58/393138058.db2.gz JUDCQCOHTMZGNL-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO Cc1ccc(Br)cc1C[N@@H+](C)CCC#N ZINC000258893263 393138063 /nfs/dbraw/zinc/13/80/63/393138063.db2.gz JUDCQCOHTMZGNL-UHFFFAOYSA-N 1 2 267.170 3.103 20 30 CGEDLO C#CCC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270533393 393238216 /nfs/dbraw/zinc/23/82/16/393238216.db2.gz GBIWPORXCUADPB-WFASDCNBSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000270533393 393238224 /nfs/dbraw/zinc/23/82/24/393238224.db2.gz GBIWPORXCUADPB-WFASDCNBSA-N 1 2 263.768 3.125 20 30 CGEDLO C=CC[NH+](CC=C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000355442662 393324882 /nfs/dbraw/zinc/32/48/82/393324882.db2.gz ADMHMFNWTOYWJX-KRWDZBQOSA-N 1 2 286.419 3.270 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000355214294 393262114 /nfs/dbraw/zinc/26/21/14/393262114.db2.gz YBQLAWBCPWIMKG-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000355214294 393262115 /nfs/dbraw/zinc/26/21/15/393262115.db2.gz YBQLAWBCPWIMKG-UHFFFAOYSA-N 1 2 284.309 3.395 20 30 CGEDLO CC(=O)c1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000649423101 393418910 /nfs/dbraw/zinc/41/89/10/393418910.db2.gz KWSFPQIWZDWUIJ-MRXNPFEDSA-N 1 2 256.349 3.015 20 30 CGEDLO CC(=O)c1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000649423101 393418914 /nfs/dbraw/zinc/41/89/14/393418914.db2.gz KWSFPQIWZDWUIJ-MRXNPFEDSA-N 1 2 256.349 3.015 20 30 CGEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000488236687 393473725 /nfs/dbraw/zinc/47/37/25/393473725.db2.gz TUFVXEGULDZHNT-NSHDSACASA-N 1 2 278.783 3.211 20 30 CGEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000488236687 393473731 /nfs/dbraw/zinc/47/37/31/393473731.db2.gz TUFVXEGULDZHNT-NSHDSACASA-N 1 2 278.783 3.211 20 30 CGEDLO N#Cc1nn(Cc2[nH+]ccn2-c2ccccc2)c2ccccc12 ZINC000432494566 393616077 /nfs/dbraw/zinc/61/60/77/393616077.db2.gz ZTRXNKLDJONWTQ-UHFFFAOYSA-N 1 2 299.337 3.142 20 30 CGEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668169575 542979346 /nfs/dbraw/zinc/97/93/46/542979346.db2.gz VABUDWNNEBPGOJ-GASCZTMLSA-N 1 2 296.374 3.358 20 30 CGEDLO C=CCOc1ccc(CNc2cc(CC)[nH+]cn2)cc1 ZINC000672319401 543207829 /nfs/dbraw/zinc/20/78/29/543207829.db2.gz JNQILPNFFFXHPT-UHFFFAOYSA-N 1 2 269.348 3.216 20 30 CGEDLO Cn1c[nH+]cc1CNc1cccc(C#Cc2cccs2)c1 ZINC000675321656 543329867 /nfs/dbraw/zinc/32/98/67/543329867.db2.gz XDLKCKURLMYOIL-UHFFFAOYSA-N 1 2 293.395 3.494 20 30 CGEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000677478400 543450577 /nfs/dbraw/zinc/45/05/77/543450577.db2.gz WLNBODYYFJWAMH-MRXNPFEDSA-N 1 2 286.419 3.284 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000677478400 543450579 /nfs/dbraw/zinc/45/05/79/543450579.db2.gz WLNBODYYFJWAMH-MRXNPFEDSA-N 1 2 286.419 3.284 20 30 CGEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2C)no1)C1CC1 ZINC000678537285 543533956 /nfs/dbraw/zinc/53/39/56/543533956.db2.gz ZZURJJOBYKORHV-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO C=CC[N@H+](Cc1nc(-c2ccccc2C)no1)C1CC1 ZINC000678537285 543533958 /nfs/dbraw/zinc/53/39/58/543533958.db2.gz ZZURJJOBYKORHV-UHFFFAOYSA-N 1 2 269.348 3.195 20 30 CGEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000678714815 543549903 /nfs/dbraw/zinc/54/99/03/543549903.db2.gz QUQKEGPWTAGAEB-YDHLFZDLSA-N 1 2 263.406 3.312 20 30 CGEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000678714815 543549905 /nfs/dbraw/zinc/54/99/05/543549905.db2.gz QUQKEGPWTAGAEB-YDHLFZDLSA-N 1 2 263.406 3.312 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000093443810 287116711 /nfs/dbraw/zinc/11/67/11/287116711.db2.gz JKOFPMABSHOTLN-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000093443810 287116713 /nfs/dbraw/zinc/11/67/13/287116713.db2.gz JKOFPMABSHOTLN-UHFFFAOYSA-N 1 2 299.355 3.086 20 30 CGEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285382822 196266971 /nfs/dbraw/zinc/26/69/71/196266971.db2.gz NIZQBFAEMMFQRN-MRXNPFEDSA-N 1 2 266.348 3.009 20 30 CGEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285382822 196266972 /nfs/dbraw/zinc/26/69/72/196266972.db2.gz NIZQBFAEMMFQRN-MRXNPFEDSA-N 1 2 266.348 3.009 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000679676576 543655901 /nfs/dbraw/zinc/65/59/01/543655901.db2.gz UKARJVUTSZTSEM-CQSZACIVSA-N 1 2 297.377 3.171 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000679676576 543655903 /nfs/dbraw/zinc/65/59/03/543655903.db2.gz UKARJVUTSZTSEM-CQSZACIVSA-N 1 2 297.377 3.171 20 30 CGEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000575174492 335075518 /nfs/dbraw/zinc/07/55/18/335075518.db2.gz GSOHYELICHGZHH-MAUKXSAKSA-N 1 2 290.370 3.204 20 30 CGEDLO C=CC[N@H+](Cc1coc(-c2cccs2)n1)[C@H](C)COC ZINC000661246243 419244549 /nfs/dbraw/zinc/24/45/49/419244549.db2.gz HDXGEPJCIDPZSF-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1coc(-c2cccs2)n1)[C@H](C)COC ZINC000661246243 419244552 /nfs/dbraw/zinc/24/45/52/419244552.db2.gz HDXGEPJCIDPZSF-GFCCVEGCSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000661378709 419255696 /nfs/dbraw/zinc/25/56/96/419255696.db2.gz KVDNHOJQPCDVSC-LBPRGKRZSA-N 1 2 263.385 3.155 20 30 CGEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000661378709 419255698 /nfs/dbraw/zinc/25/56/98/419255698.db2.gz KVDNHOJQPCDVSC-LBPRGKRZSA-N 1 2 263.385 3.155 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661149366 419235229 /nfs/dbraw/zinc/23/52/29/419235229.db2.gz ALAIIUJJYUSQLF-INIZCTEOSA-N 1 2 299.418 3.099 20 30 CGEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000661149366 419235232 /nfs/dbraw/zinc/23/52/32/419235232.db2.gz ALAIIUJJYUSQLF-INIZCTEOSA-N 1 2 299.418 3.099 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367214726 228019569 /nfs/dbraw/zinc/01/95/69/228019569.db2.gz AAUBKXNIJAGDJI-INIZCTEOSA-N 1 2 290.370 3.091 20 30 CGEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367214726 228019570 /nfs/dbraw/zinc/01/95/70/228019570.db2.gz AAUBKXNIJAGDJI-INIZCTEOSA-N 1 2 290.370 3.091 20 30 CGEDLO N#Cc1csc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000356058960 228105024 /nfs/dbraw/zinc/10/50/24/228105024.db2.gz GWLFMAGNISKFLO-UHFFFAOYSA-N 1 2 287.363 3.318 20 30 CGEDLO N#Cc1csc(C[N@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000356058960 228105027 /nfs/dbraw/zinc/10/50/27/228105027.db2.gz GWLFMAGNISKFLO-UHFFFAOYSA-N 1 2 287.363 3.318 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000352098078 228182646 /nfs/dbraw/zinc/18/26/46/228182646.db2.gz ZSFJVKRDVPOERG-SNVBAGLBSA-N 1 2 277.418 3.463 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000352098078 228182647 /nfs/dbraw/zinc/18/26/47/228182647.db2.gz ZSFJVKRDVPOERG-SNVBAGLBSA-N 1 2 277.418 3.463 20 30 CGEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nnc(C)o1 ZINC000297716048 260132769 /nfs/dbraw/zinc/13/27/69/260132769.db2.gz BECBBLDZXAEQJU-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1nnc(C)o1 ZINC000297716048 260132770 /nfs/dbraw/zinc/13/27/70/260132770.db2.gz BECBBLDZXAEQJU-LBPRGKRZSA-N 1 2 287.363 3.136 20 30 CGEDLO Cc1ccc(C)c(OC2CC[NH+](CCC#N)CC2)c1 ZINC000064632226 260241804 /nfs/dbraw/zinc/24/18/04/260241804.db2.gz KPBOETUZCPDOGB-UHFFFAOYSA-N 1 2 258.365 3.060 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000072691621 260277704 /nfs/dbraw/zinc/27/77/04/260277704.db2.gz NWBRCWKKXHLZGM-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000072691621 260277705 /nfs/dbraw/zinc/27/77/05/260277705.db2.gz NWBRCWKKXHLZGM-UHFFFAOYSA-N 1 2 265.788 3.497 20 30 CGEDLO CC(C)n1c[nH+]cc1CNc1cccc(CC#N)c1 ZINC000313445077 260294520 /nfs/dbraw/zinc/29/45/20/260294520.db2.gz JGVMAXKYJDDQTK-UHFFFAOYSA-N 1 2 254.337 3.142 20 30 CGEDLO C=C1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000427019105 260547792 /nfs/dbraw/zinc/54/77/92/260547792.db2.gz HKGPHHMVDIFIFK-OAHLLOKOSA-N 1 2 290.794 3.097 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(Br)c1 ZINC000042440501 260620823 /nfs/dbraw/zinc/62/08/23/260620823.db2.gz UBPCMNZOASCJFH-JTQLQIEISA-N 1 2 267.170 3.041 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440501 260620824 /nfs/dbraw/zinc/62/08/24/260620824.db2.gz UBPCMNZOASCJFH-JTQLQIEISA-N 1 2 267.170 3.041 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@H]2CCO[C@H](C3CC3)C2)c1O ZINC000154226657 261089309 /nfs/dbraw/zinc/08/93/09/261089309.db2.gz ALMXMQOWPFRNCZ-TXJYOKQGSA-N 1 2 289.375 3.167 20 30 CGEDLO CSc1ccc(OCC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161999886 261265723 /nfs/dbraw/zinc/26/57/23/261265723.db2.gz QVFYUIMGCFPIHO-LBPRGKRZSA-N 1 2 264.394 3.021 20 30 CGEDLO CSc1ccc(OCC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161999886 261265725 /nfs/dbraw/zinc/26/57/25/261265725.db2.gz QVFYUIMGCFPIHO-LBPRGKRZSA-N 1 2 264.394 3.021 20 30 CGEDLO CC(C)COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccco1 ZINC000184156310 262010693 /nfs/dbraw/zinc/01/06/93/262010693.db2.gz YMNBQZZAERWOOZ-CABCVRRESA-N 1 2 289.379 3.026 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000186935926 262117241 /nfs/dbraw/zinc/11/72/41/262117241.db2.gz AYKIVQOMAASBGW-AWEZNQCLSA-N 1 2 295.386 3.491 20 30 CGEDLO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000186935926 262117242 /nfs/dbraw/zinc/11/72/42/262117242.db2.gz AYKIVQOMAASBGW-AWEZNQCLSA-N 1 2 295.386 3.491 20 30 CGEDLO N#C[C@@H]1[N@H+](C[C@H]2CC=CCC2)CCC[C@@]12CCCCO2 ZINC000366151290 262562336 /nfs/dbraw/zinc/56/23/36/262562336.db2.gz JEWZKBASPFQLRW-ULQDDVLXSA-N 1 2 274.408 3.270 20 30 CGEDLO N#C[C@@H]1[N@@H+](C[C@H]2CC=CCC2)CCC[C@@]12CCCCO2 ZINC000366151290 262562338 /nfs/dbraw/zinc/56/23/38/262562338.db2.gz JEWZKBASPFQLRW-ULQDDVLXSA-N 1 2 274.408 3.270 20 30 CGEDLO CC(C)C[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271955703 263000546 /nfs/dbraw/zinc/00/05/46/263000546.db2.gz SFBUEDJAXCOKEK-NIRMRBTQSA-N 1 2 261.365 3.405 20 30 CGEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272600530 263007398 /nfs/dbraw/zinc/00/73/98/263007398.db2.gz QSNMOHGVTZJHFB-HNNXBMFYSA-N 1 2 299.418 3.256 20 30 CGEDLO CO[C@@H](C[N@H+](C)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006256 263080223 /nfs/dbraw/zinc/08/02/23/263080223.db2.gz GAIVUVJXLZICKH-RISCZKNCSA-N 1 2 266.772 3.261 20 30 CGEDLO CO[C@@H](C[N@@H+](C)[C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000283006256 263080224 /nfs/dbraw/zinc/08/02/24/263080224.db2.gz GAIVUVJXLZICKH-RISCZKNCSA-N 1 2 266.772 3.261 20 30 CGEDLO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CC#N ZINC000293039544 263137205 /nfs/dbraw/zinc/13/72/05/263137205.db2.gz LZWRZEGGVOQTNS-CQSZACIVSA-N 1 2 250.773 3.410 20 30 CGEDLO COc1cc(C)[nH+]c(COc2c(C)cc(C#N)cc2C)c1 ZINC000213661349 263206801 /nfs/dbraw/zinc/20/68/01/263206801.db2.gz LYBZFVLXZBPPBF-UHFFFAOYSA-N 1 2 282.343 3.466 20 30 CGEDLO C=C1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000341994983 263372609 /nfs/dbraw/zinc/37/26/09/263372609.db2.gz GARMJSCBNMCRPD-UHFFFAOYSA-N 1 2 298.308 3.296 20 30 CGEDLO CCC1(CC)CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000331003576 264105994 /nfs/dbraw/zinc/10/59/94/264105994.db2.gz GMHWCGBJNQGLIP-UHFFFAOYSA-N 1 2 292.427 3.173 20 30 CGEDLO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331360221 264209002 /nfs/dbraw/zinc/20/90/02/264209002.db2.gz XOIXHEXMZINQAE-UKRRQHHQSA-N 1 2 299.418 3.204 20 30 CGEDLO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@@H](CCC)C1 ZINC000127470890 264255470 /nfs/dbraw/zinc/25/54/70/264255470.db2.gz JKHINRJNGHLTSV-ZDUSSCGKSA-N 1 2 277.239 3.278 20 30 CGEDLO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@@H](CCC)C1 ZINC000127470890 264255474 /nfs/dbraw/zinc/25/54/74/264255474.db2.gz JKHINRJNGHLTSV-ZDUSSCGKSA-N 1 2 277.239 3.278 20 30 CGEDLO C=CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189491852 264302668 /nfs/dbraw/zinc/30/26/68/264302668.db2.gz BJLUNKWKEBDJMZ-BXUZGUMPSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000189491852 264302669 /nfs/dbraw/zinc/30/26/69/264302669.db2.gz BJLUNKWKEBDJMZ-BXUZGUMPSA-N 1 2 251.757 3.288 20 30 CGEDLO C=CCC[C@@H]([NH2+]Cc1nnc(CC)o1)c1ccccc1 ZINC000180034865 264389895 /nfs/dbraw/zinc/38/98/95/264389895.db2.gz CWOJGGPLFOHPQD-CQSZACIVSA-N 1 2 271.364 3.429 20 30 CGEDLO Cn1c2cc(F)ccc2[nH+]c1N1CCC(CCC#N)CC1 ZINC000335380533 265153787 /nfs/dbraw/zinc/15/37/87/265153787.db2.gz QQYNBUYVKIAQBY-UHFFFAOYSA-N 1 2 286.354 3.233 20 30 CGEDLO CCO[C@H](C)c1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000356454016 266116687 /nfs/dbraw/zinc/11/66/87/266116687.db2.gz KJHXBFXATUWMMB-GFCCVEGCSA-N 1 2 293.436 3.366 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469654 266120893 /nfs/dbraw/zinc/12/08/93/266120893.db2.gz FBCFQLZCSNKWTF-RYUDHWBXSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000356469654 266120898 /nfs/dbraw/zinc/12/08/98/266120898.db2.gz FBCFQLZCSNKWTF-RYUDHWBXSA-N 1 2 261.325 3.137 20 30 CGEDLO C=CC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000357551331 266321290 /nfs/dbraw/zinc/32/12/90/266321290.db2.gz HTSIJEBSIVZDRS-UHFFFAOYSA-N 1 2 289.329 3.301 20 30 CGEDLO C=CC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)C1CC1 ZINC000357551331 266321292 /nfs/dbraw/zinc/32/12/92/266321292.db2.gz HTSIJEBSIVZDRS-UHFFFAOYSA-N 1 2 289.329 3.301 20 30 CGEDLO C=CC[C@H](CC)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000357681674 266346168 /nfs/dbraw/zinc/34/61/68/266346168.db2.gz AVECFFOTTXVUAD-ZDUSSCGKSA-N 1 2 260.385 3.234 20 30 CGEDLO C=CC[C@H](CC)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000357681674 266346169 /nfs/dbraw/zinc/34/61/69/266346169.db2.gz AVECFFOTTXVUAD-ZDUSSCGKSA-N 1 2 260.385 3.234 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000352450595 279477703 /nfs/dbraw/zinc/47/77/03/279477703.db2.gz RXUABCBMDGJYOO-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)[C@@H](C)O1 ZINC000439434616 288212256 /nfs/dbraw/zinc/21/22/56/288212256.db2.gz CCAVEPHXLNZQJN-GRYCIOLGSA-N 1 2 278.783 3.209 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)[C@@H](C)O1 ZINC000439434616 288212259 /nfs/dbraw/zinc/21/22/59/288212259.db2.gz CCAVEPHXLNZQJN-GRYCIOLGSA-N 1 2 278.783 3.209 20 30 CGEDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000540558728 288660392 /nfs/dbraw/zinc/66/03/92/288660392.db2.gz PRPHZKUSKVZDKG-HZMBPMFUSA-N 1 2 256.305 3.157 20 30 CGEDLO Cc1[nH]c(C(=O)N[C@@H]2CCCc3ccc(C)cc32)c[nH+]1 ZINC000329269958 293563818 /nfs/dbraw/zinc/56/38/18/293563818.db2.gz IOIXKWSEXAFVCG-CQSZACIVSA-N 1 2 269.348 3.409 20 30 CGEDLO COc1cc(C)[nH+]c(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425367504 533695045 /nfs/dbraw/zinc/69/50/45/533695045.db2.gz TULJUZRXPCKZCU-AWEZNQCLSA-N 1 2 295.386 3.463 20 30 CGEDLO C=CCC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000161035842 328120361 /nfs/dbraw/zinc/12/03/61/328120361.db2.gz VHWBVJRZGFAEJV-GJZGRUSLSA-N 1 2 261.365 3.235 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1F ZINC000161013814 328118111 /nfs/dbraw/zinc/11/81/11/328118111.db2.gz LHUWCKCVHZHTAU-XHDPSFHLSA-N 1 2 277.318 3.449 20 30 CGEDLO C#CC[N@H+](Cc1nc(C2CCCC2)no1)C1CCCC1 ZINC000155485103 327393296 /nfs/dbraw/zinc/39/32/96/327393296.db2.gz YESRPRQKLZYVIK-UHFFFAOYSA-N 1 2 273.380 3.105 20 30 CGEDLO C#CC[N@@H+](Cc1nc(C2CCCC2)no1)C1CCCC1 ZINC000155485103 327393298 /nfs/dbraw/zinc/39/32/98/327393298.db2.gz YESRPRQKLZYVIK-UHFFFAOYSA-N 1 2 273.380 3.105 20 30 CGEDLO COc1ccc2nc(C[NH+]3CCC(C#N)CC3)sc2c1 ZINC000186888032 329351117 /nfs/dbraw/zinc/35/11/17/329351117.db2.gz IUECNYKUZGNEPT-UHFFFAOYSA-N 1 2 287.388 3.040 20 30 CGEDLO N#CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000057879941 330380450 /nfs/dbraw/zinc/38/04/50/330380450.db2.gz XIEWZELLBDJULB-UHFFFAOYSA-N 1 2 273.361 3.139 20 30 CGEDLO C=CCCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089870162 330388047 /nfs/dbraw/zinc/38/80/47/330388047.db2.gz QGIVRXYYROPCIJ-UHFFFAOYSA-N 1 2 269.348 3.355 20 30 CGEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000425281698 330495042 /nfs/dbraw/zinc/49/50/42/330495042.db2.gz MLZUYUFRTMFHQT-ONGXEEELSA-N 1 2 272.270 3.103 20 30 CGEDLO C=CCC1(C(=O)NCCCNc2cccc[nH+]2)CCCC1 ZINC000449854596 330952257 /nfs/dbraw/zinc/95/22/57/330952257.db2.gz GTUYMGNRBJDUMW-UHFFFAOYSA-N 1 2 287.407 3.136 20 30 CGEDLO C=CCC[C@@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000450895426 331005505 /nfs/dbraw/zinc/00/55/05/331005505.db2.gz LDTAZAWFLVAELQ-LBPRGKRZSA-N 1 2 274.339 3.421 20 30 CGEDLO F[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451181000 331019133 /nfs/dbraw/zinc/01/91/33/331019133.db2.gz DLZVYIQWVHZGDJ-ZDUSSCGKSA-N 1 2 271.257 3.101 20 30 CGEDLO F[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000451181000 331019134 /nfs/dbraw/zinc/01/91/34/331019134.db2.gz DLZVYIQWVHZGDJ-ZDUSSCGKSA-N 1 2 271.257 3.101 20 30 CGEDLO C=CCCC[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000459622788 331290858 /nfs/dbraw/zinc/29/08/58/331290858.db2.gz VRJNJTFRSRHDCH-OAHLLOKOSA-N 1 2 261.365 3.073 20 30 CGEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000489496547 332056716 /nfs/dbraw/zinc/05/67/16/332056716.db2.gz MSUPNXDWMUGHHU-GFCCVEGCSA-N 1 2 275.377 3.339 20 30 CGEDLO C=C[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000489496547 332056718 /nfs/dbraw/zinc/05/67/18/332056718.db2.gz MSUPNXDWMUGHHU-GFCCVEGCSA-N 1 2 275.377 3.339 20 30 CGEDLO C#CC[N@@H+](CC)Cc1csc(-c2cccs2)n1 ZINC000490781224 332115584 /nfs/dbraw/zinc/11/55/84/332115584.db2.gz YYCOTTHQIMFFJE-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO C#CC[N@H+](CC)Cc1csc(-c2cccs2)n1 ZINC000490781224 332115585 /nfs/dbraw/zinc/11/55/85/332115585.db2.gz YYCOTTHQIMFFJE-UHFFFAOYSA-N 1 2 262.403 3.327 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000491316898 332189180 /nfs/dbraw/zinc/18/91/80/332189180.db2.gz YLRUEVROAWBYJX-MRXNPFEDSA-N 1 2 284.290 3.198 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1c(CC)nn(C)c1CC)c1ccc(F)cc1 ZINC000491660530 332270897 /nfs/dbraw/zinc/27/08/97/332270897.db2.gz JWKXDPAHPKSOHJ-MRXNPFEDSA-N 1 2 299.393 3.148 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnc(C)nc1)c1ccc(Cl)cc1F ZINC000491694585 332290724 /nfs/dbraw/zinc/29/07/24/332290724.db2.gz GGJPEWIBMOJQEZ-OAHLLOKOSA-N 1 2 289.741 3.042 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)CCOc1c(Cl)cccc1Cl ZINC000513961311 333055265 /nfs/dbraw/zinc/05/52/65/333055265.db2.gz AKTXYTJDRGSKTN-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000513961311 333055266 /nfs/dbraw/zinc/05/52/66/333055266.db2.gz AKTXYTJDRGSKTN-JTQLQIEISA-N 1 2 287.190 3.464 20 30 CGEDLO C=CCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCCC1 ZINC000516907806 333086071 /nfs/dbraw/zinc/08/60/71/333086071.db2.gz FHGNZQZPOGVYJQ-UHFFFAOYSA-N 1 2 258.365 3.195 20 30 CGEDLO CCOc1cc(C[NH2+]CC2(C#N)CCC2)c(F)cc1OC ZINC000529611767 333501108 /nfs/dbraw/zinc/50/11/08/333501108.db2.gz OPJOMIGVWCGYOY-UHFFFAOYSA-N 1 2 292.354 3.016 20 30 CGEDLO Cc1cc(F)ccc1CNc1cc(CC#N)cc[nH+]1 ZINC000545220192 333970596 /nfs/dbraw/zinc/97/05/96/333970596.db2.gz CRRUNAHKXHSUCM-UHFFFAOYSA-N 1 2 255.296 3.207 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000565172593 334542470 /nfs/dbraw/zinc/54/24/70/334542470.db2.gz LJMCGQRPVXDASF-KOLCDFICSA-N 1 2 297.761 3.088 20 30 CGEDLO Cc1sc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C#N)c1C ZINC000576588109 335223068 /nfs/dbraw/zinc/22/30/68/335223068.db2.gz QKCAWFPWSCNFHE-SECBINFHSA-N 1 2 288.376 3.023 20 30 CGEDLO Cc1ccc(NC(=O)c2cccc(CC#N)c2)c(C)[nH+]1 ZINC000176299242 335260040 /nfs/dbraw/zinc/26/00/40/335260040.db2.gz ZUEMFMDPEXQAES-UHFFFAOYSA-N 1 2 265.316 3.017 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179789451 335518385 /nfs/dbraw/zinc/51/83/85/335518385.db2.gz ODSQMTBDEGCGIF-CQSZACIVSA-N 1 2 283.375 3.347 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000183833523 335908725 /nfs/dbraw/zinc/90/87/25/335908725.db2.gz CUZIQUKSXXNMKI-GFCCVEGCSA-N 1 2 256.305 3.321 20 30 CGEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CCCC#N)CC1 ZINC000352545708 533778696 /nfs/dbraw/zinc/77/86/96/533778696.db2.gz ZEGNVOZHJYWUQH-UHFFFAOYSA-N 1 2 291.826 3.070 20 30 CGEDLO C[C@H]([NH2+]Cc1nccs1)c1ccc(C#N)cc1F ZINC000358553405 533945976 /nfs/dbraw/zinc/94/59/76/533945976.db2.gz IHLDSUBVPSUUHD-VIFPVBQESA-N 1 2 261.325 3.005 20 30 CGEDLO C=CCOCCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000419428481 517335809 /nfs/dbraw/zinc/33/58/09/517335809.db2.gz QZAVERBIBBIVTR-UHFFFAOYSA-N 1 2 282.796 3.424 20 30 CGEDLO C=C1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000353332270 526904615 /nfs/dbraw/zinc/90/46/15/526904615.db2.gz PMUYQGOTKSESFQ-UHFFFAOYSA-N 1 2 297.301 3.169 20 30 CGEDLO C=CCCC1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000353678395 527089309 /nfs/dbraw/zinc/08/93/09/527089309.db2.gz SGBBSEYERCTBDT-UHFFFAOYSA-N 1 2 297.402 3.207 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(C#N)c1F ZINC000352865142 527716370 /nfs/dbraw/zinc/71/63/70/527716370.db2.gz AQMNGWWZISZJBT-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(C#N)c1F ZINC000352865142 527716371 /nfs/dbraw/zinc/71/63/71/527716371.db2.gz AQMNGWWZISZJBT-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@@H](C)C#N ZINC000353286554 528762751 /nfs/dbraw/zinc/76/27/51/528762751.db2.gz OCXGIZQHLGZPOB-ZDUSSCGKSA-N 1 2 269.348 3.323 20 30 CGEDLO CC[N@H+](Cc1cc(-c2ccccc2)no1)C[C@@H](C)C#N ZINC000353286554 528762757 /nfs/dbraw/zinc/76/27/57/528762757.db2.gz OCXGIZQHLGZPOB-ZDUSSCGKSA-N 1 2 269.348 3.323 20 30 CGEDLO CC1(C)C[N@H+](Cc2nc(C#N)cs2)Cc2ccccc21 ZINC000356133422 529125704 /nfs/dbraw/zinc/12/57/04/529125704.db2.gz XDBWTEHEEKJZGH-UHFFFAOYSA-N 1 2 283.400 3.308 20 30 CGEDLO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)Cc2ccccc21 ZINC000356133422 529125707 /nfs/dbraw/zinc/12/57/07/529125707.db2.gz XDBWTEHEEKJZGH-UHFFFAOYSA-N 1 2 283.400 3.308 20 30 CGEDLO CC[C@@H](CSC)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459471854 535766897 /nfs/dbraw/zinc/76/68/97/535766897.db2.gz NRSKWMKCPRMUJW-LBPRGKRZSA-N 1 2 293.392 3.040 20 30 CGEDLO CC[C@@H](CSC)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459471854 535766900 /nfs/dbraw/zinc/76/69/00/535766900.db2.gz NRSKWMKCPRMUJW-LBPRGKRZSA-N 1 2 293.392 3.040 20 30 CGEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000450835973 536117137 /nfs/dbraw/zinc/11/71/37/536117137.db2.gz YFNZZWQIEMIMHN-SNVBAGLBSA-N 1 2 289.770 3.305 20 30 CGEDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000450835972 536124664 /nfs/dbraw/zinc/12/46/64/536124664.db2.gz YFNZZWQIEMIMHN-JTQLQIEISA-N 1 2 289.770 3.305 20 30 CGEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000124286636 536645252 /nfs/dbraw/zinc/64/52/52/536645252.db2.gz FRDPHHKLVKADFK-NSHDSACASA-N 1 2 287.388 3.183 20 30 CGEDLO Cc1ccc(N[NH+]=Cc2ccc(N(C)C)c(F)c2)nc1 ZINC000727648240 571760931 /nfs/dbraw/zinc/76/09/31/571760931.db2.gz ZOBYHCGIOSOPHP-UHFFFAOYSA-N 1 2 272.327 3.041 20 30 CGEDLO CC(C)[C@@H]1CCC[C@H](/[NH+]=C\c2ccc(O)c(O)c2O)C1 ZINC000728785449 571822063 /nfs/dbraw/zinc/82/20/63/571822063.db2.gz GSBONWXIZFTYCI-JLKWGVLYSA-N 1 2 277.364 3.437 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729876886 571934990 /nfs/dbraw/zinc/93/49/90/571934990.db2.gz YAZILBCFJYTBBK-CQSZACIVSA-N 1 2 251.757 3.203 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729876886 571934992 /nfs/dbraw/zinc/93/49/92/571934992.db2.gz YAZILBCFJYTBBK-CQSZACIVSA-N 1 2 251.757 3.203 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCCCC)cc1 ZINC000730095472 571948215 /nfs/dbraw/zinc/94/82/15/571948215.db2.gz FVUAHECHPAZPEB-SFHVURJKSA-N 1 2 298.430 3.455 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCCCC)cc1 ZINC000730095472 571948218 /nfs/dbraw/zinc/94/82/18/571948218.db2.gz FVUAHECHPAZPEB-SFHVURJKSA-N 1 2 298.430 3.455 20 30 CGEDLO Oc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1Cl ZINC000730148622 571951556 /nfs/dbraw/zinc/95/15/56/571951556.db2.gz ZRYKVHKWCWILRQ-UHFFFAOYSA-N 1 2 297.745 3.462 20 30 CGEDLO C(=NNc1cc[nH+]c2ccccc12)c1csc(C2CC2)n1 ZINC000730148502 571951991 /nfs/dbraw/zinc/95/19/91/571951991.db2.gz VNDJTZYLZKKXFH-UHFFFAOYSA-N 1 2 294.383 3.437 20 30 CGEDLO CCOc1cccc2cc(C(=O)/C=C/c3[nH]cc[nH+]3)oc21 ZINC000731156418 572398129 /nfs/dbraw/zinc/39/81/29/572398129.db2.gz DUEOFPYPABEBPH-VOTSOKGWSA-N 1 2 282.299 3.451 20 30 CGEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)CO2 ZINC000731159509 572399014 /nfs/dbraw/zinc/39/90/14/572399014.db2.gz RXSPSGKEABSWSF-WQLSENKSSA-N 1 2 268.316 3.192 20 30 CGEDLO CC[C@@H]1CCC[C@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000740763607 572455845 /nfs/dbraw/zinc/45/58/45/572455845.db2.gz MMTGAXWWDPHWFD-CCKCTFHRSA-N 1 2 263.337 3.191 20 30 CGEDLO CCn1nc(C)c(C(=O)/C=C\c2c[nH+]c3ccccn23)c1C ZINC000740764773 572456357 /nfs/dbraw/zinc/45/63/57/572456357.db2.gz FKNJXAMTDYCABA-HJWRWDBZSA-N 1 2 294.358 3.064 20 30 CGEDLO COc1cccc(/C=[NH+]/[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000741465910 572500943 /nfs/dbraw/zinc/50/09/43/572500943.db2.gz ZJJAZWYYVNHZBS-KIHYJURLSA-N 1 2 281.355 3.451 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CC[C@H](SC)C2)c1 ZINC000743042326 572635681 /nfs/dbraw/zinc/63/56/81/572635681.db2.gz IYRNNKYUPNVRFX-JXIANXGOSA-N 1 2 265.378 3.104 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/[C@@H]2CC[C@H](SC)C2)c1 ZINC000743043555 572636036 /nfs/dbraw/zinc/63/60/36/572636036.db2.gz WPMQONQJAZLRJD-XYZGBQHVSA-N 1 2 279.405 3.494 20 30 CGEDLO C=C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735494274 572726276 /nfs/dbraw/zinc/72/62/76/572726276.db2.gz WWYZAIYEGYJAPJ-UHFFFAOYSA-N 1 2 266.728 3.400 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H]2C[C@](C)(OC)C2(C)C)c(O)c1 ZINC000745976964 572845688 /nfs/dbraw/zinc/84/56/88/572845688.db2.gz POPHAPQJZXUQNF-PCRVIDNCSA-N 1 2 291.391 3.413 20 30 CGEDLO CC(=[NH+]Nc1cc([N+](=O)[O-])ccc1C)c1ccc(N)cc1 ZINC000747061851 572907464 /nfs/dbraw/zinc/90/74/64/572907464.db2.gz MZURETHLLQLPOG-UHFFFAOYSA-N 1 2 284.319 3.322 20 30 CGEDLO Cc1cccc2[nH+]cc(/C=C3\Cc4ccccc4C3=O)n21 ZINC000748995130 572987936 /nfs/dbraw/zinc/98/79/36/572987936.db2.gz WFKMDCMDBWRPEP-GXDHUFHOSA-N 1 2 274.323 3.465 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000980946951 613373093 /nfs/dbraw/zinc/37/30/93/613373093.db2.gz DYUWZQUXKITGRS-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000980946951 613373094 /nfs/dbraw/zinc/37/30/94/613373094.db2.gz DYUWZQUXKITGRS-UHFFFAOYSA-N 1 2 296.842 3.164 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981841670 613373580 /nfs/dbraw/zinc/37/35/80/613373580.db2.gz OAYWPMRUYWBPCH-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981841670 613373581 /nfs/dbraw/zinc/37/35/81/613373581.db2.gz OAYWPMRUYWBPCH-DZGCQCFKSA-N 1 2 298.858 3.100 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014499 613375854 /nfs/dbraw/zinc/37/58/54/613375854.db2.gz QKUZDVGMOKICMK-IAQYHMDHSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966014499 613375855 /nfs/dbraw/zinc/37/58/55/613375855.db2.gz QKUZDVGMOKICMK-IAQYHMDHSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526363 613377816 /nfs/dbraw/zinc/37/78/16/613377816.db2.gz OFBBRSMUUKDKHO-GXTWGEPZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967526363 613377817 /nfs/dbraw/zinc/37/78/17/613377817.db2.gz OFBBRSMUUKDKHO-GXTWGEPZSA-N 1 2 298.858 3.146 20 30 CGEDLO CC[N@@H+](Cc1ccc(CC(C)C)nc1)C[C@@H](C)C#N ZINC000891715562 618256522 /nfs/dbraw/zinc/25/65/22/618256522.db2.gz FBKIGTMJXRDADP-AWEZNQCLSA-N 1 2 259.397 3.262 20 30 CGEDLO CC[N@H+](Cc1ccc(CC(C)C)nc1)C[C@@H](C)C#N ZINC000891715562 618256525 /nfs/dbraw/zinc/25/65/25/618256525.db2.gz FBKIGTMJXRDADP-AWEZNQCLSA-N 1 2 259.397 3.262 20 30 CGEDLO C=C(Cl)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000308902513 618523288 /nfs/dbraw/zinc/52/32/88/618523288.db2.gz CKXJCETTXJMUCQ-UHFFFAOYSA-N 1 2 250.100 3.027 20 30 CGEDLO Oc1ccc(Cl)cc1/C=N\Cc1ccn2cc[nH+]c2c1 ZINC000255498057 618604120 /nfs/dbraw/zinc/60/41/20/618604120.db2.gz BPSONNPBDRPGQG-YVLHZVERSA-N 1 2 285.734 3.312 20 30 CGEDLO C=CCCC[N@@H+](CC)Cc1noc(CCCC)n1 ZINC000934648581 618664826 /nfs/dbraw/zinc/66/48/26/618664826.db2.gz DCSQPCZOVLLKNO-UHFFFAOYSA-N 1 2 251.374 3.200 20 30 CGEDLO C=CCCC[N@H+](CC)Cc1noc(CCCC)n1 ZINC000934648581 618664828 /nfs/dbraw/zinc/66/48/28/618664828.db2.gz DCSQPCZOVLLKNO-UHFFFAOYSA-N 1 2 251.374 3.200 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000052717220 618732002 /nfs/dbraw/zinc/73/20/02/618732002.db2.gz HNZCPHQFXWYTRS-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000052717220 618732004 /nfs/dbraw/zinc/73/20/04/618732004.db2.gz HNZCPHQFXWYTRS-UHFFFAOYSA-N 1 2 251.761 3.107 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1cccc(C#N)c1O ZINC000926586454 618753753 /nfs/dbraw/zinc/75/37/53/618753753.db2.gz XSOLNJLMDVJVSM-DSPQJCBJSA-N 1 2 288.391 3.118 20 30 CGEDLO N#Cc1cccc(C(=O)/C=C\c2c[nH+]c3ccccn23)c1 ZINC000255619138 618765472 /nfs/dbraw/zinc/76/54/72/618765472.db2.gz UDQZUXNCXOZOSJ-FPLPWBNLSA-N 1 2 273.295 3.102 20 30 CGEDLO C#CCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000179796114 618802135 /nfs/dbraw/zinc/80/21/35/618802135.db2.gz RJANMIRIPHQQGW-UHFFFAOYSA-N 1 2 285.322 3.144 20 30 CGEDLO CC(C)(C#N)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000168916617 618914656 /nfs/dbraw/zinc/91/46/56/618914656.db2.gz VEZZJERVVNCAFE-UHFFFAOYSA-N 1 2 274.336 3.375 20 30 CGEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(-c2ccccc2)no1 ZINC000926873685 618960097 /nfs/dbraw/zinc/96/00/97/618960097.db2.gz ICRNHSFYHIISSC-GFCCVEGCSA-N 1 2 267.332 3.296 20 30 CGEDLO C=C1CCC(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000893177835 619018834 /nfs/dbraw/zinc/01/88/34/619018834.db2.gz ZIALVUMYFCNPIY-KRWDZBQOSA-N 1 2 284.403 3.036 20 30 CGEDLO C=C1CCC(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000893177835 619018837 /nfs/dbraw/zinc/01/88/37/619018837.db2.gz ZIALVUMYFCNPIY-KRWDZBQOSA-N 1 2 284.403 3.036 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008409052 619092412 /nfs/dbraw/zinc/09/24/12/619092412.db2.gz DAGXUTPYTNJINE-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008409052 619092413 /nfs/dbraw/zinc/09/24/13/619092413.db2.gz DAGXUTPYTNJINE-HNNXBMFYSA-N 1 2 296.842 3.066 20 30 CGEDLO CC[C@H]([NH2+]CCc1ccc(C)nc1)c1cccc(C#N)c1O ZINC000925028038 619499978 /nfs/dbraw/zinc/49/99/78/619499978.db2.gz NIZRLQPZMBNCLD-KRWDZBQOSA-N 1 2 295.386 3.251 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(F)cc1 ZINC000894575389 619579804 /nfs/dbraw/zinc/57/98/04/619579804.db2.gz RCXDOXVPQGDSMN-GOSISDBHSA-N 1 2 297.377 3.286 20 30 CGEDLO CC(C)Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000895450525 619831822 /nfs/dbraw/zinc/83/18/22/619831822.db2.gz JOCRTESYHCAZCX-MRXNPFEDSA-N 1 2 257.381 3.016 20 30 CGEDLO CC(C)Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000895450525 619831825 /nfs/dbraw/zinc/83/18/25/619831825.db2.gz JOCRTESYHCAZCX-MRXNPFEDSA-N 1 2 257.381 3.016 20 30 CGEDLO C=C1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000895854975 619897776 /nfs/dbraw/zinc/89/77/76/619897776.db2.gz PCHKUDOZPQFNKR-UHFFFAOYSA-N 1 2 295.386 3.235 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000840708513 620095196 /nfs/dbraw/zinc/09/51/96/620095196.db2.gz XPGOFGGZWPJHRL-RNEAKCBISA-N 1 2 289.375 3.169 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C)o1 ZINC000897592472 620405647 /nfs/dbraw/zinc/40/56/47/620405647.db2.gz VKMNDXMXFPFSBO-GOSISDBHSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C)o1 ZINC000897592472 620405650 /nfs/dbraw/zinc/40/56/50/620405650.db2.gz VKMNDXMXFPFSBO-GOSISDBHSA-N 1 2 296.370 3.342 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2nc(C[NH+](CC)CC)cs2)C1 ZINC000898313331 620510722 /nfs/dbraw/zinc/51/07/22/620510722.db2.gz YELFHQLATVNYNR-UHFFFAOYSA-N 1 2 293.436 3.280 20 30 CGEDLO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cnn(C)c1 ZINC000927068629 620570072 /nfs/dbraw/zinc/57/00/72/620570072.db2.gz UBHWNFVKKMPOQI-WBMJQRKESA-N 1 2 298.390 3.045 20 30 CGEDLO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(C#N)c1O ZINC000927160460 620613722 /nfs/dbraw/zinc/61/37/22/620613722.db2.gz SKDHXHNWQPCHML-DOMZBBRYSA-N 1 2 286.375 3.016 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1/Cc2ccc(F)cc2C1=O ZINC000901481005 620892534 /nfs/dbraw/zinc/89/25/34/620892534.db2.gz QTHVWYVIPNWPKI-SDQBBNPISA-N 1 2 270.307 3.426 20 30 CGEDLO Cc1[nH]c(/C=C2\CCOc3ccccc3C2=O)[nH+]c1C ZINC000901472904 620897658 /nfs/dbraw/zinc/89/76/58/620897658.db2.gz VDXORPPFHDMECI-FMIVXFBMSA-N 1 2 268.316 3.075 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2scnc2C1=O ZINC000901543433 620932336 /nfs/dbraw/zinc/93/23/36/620932336.db2.gz NDODWLXAQHWICX-BJMVGYQFSA-N 1 2 273.361 3.133 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2ccc(OC)cc2C[C@@H]1C ZINC000901577503 620944290 /nfs/dbraw/zinc/94/42/90/620944290.db2.gz AMYGEUCAHIGCTG-UWONZBIMSA-N 1 2 296.370 3.370 20 30 CGEDLO Cc1ccc2[nH+]c(C)cc(OCCO[C@H](C)C#N)c2c1 ZINC000902693097 621402291 /nfs/dbraw/zinc/40/22/91/621402291.db2.gz NYTGLGXJQSSKSE-CYBMUJFWSA-N 1 2 270.332 3.159 20 30 CGEDLO C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1cc(C#N)ccn1 ZINC000902878695 621481866 /nfs/dbraw/zinc/48/18/66/621481866.db2.gz JSYPHSYZDVITDV-BONVTDFDSA-N 1 2 299.761 3.391 20 30 CGEDLO F[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000902993956 621514864 /nfs/dbraw/zinc/51/48/64/621514864.db2.gz ZOXPRZIMEZWWHY-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO F[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000902993956 621514872 /nfs/dbraw/zinc/51/48/72/621514872.db2.gz ZOXPRZIMEZWWHY-CQSZACIVSA-N 1 2 251.732 3.125 20 30 CGEDLO COC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000903101572 621574417 /nfs/dbraw/zinc/57/44/17/621574417.db2.gz JBFZMVDXRUIRHT-ZDUSSCGKSA-N 1 2 266.772 3.167 20 30 CGEDLO CCc1noc(C)c1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108874 621582469 /nfs/dbraw/zinc/58/24/69/621582469.db2.gz ILAJUWDYHKSYTP-LLVKDONJSA-N 1 2 261.369 3.280 20 30 CGEDLO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(C)ccn1 ZINC000903262732 621648305 /nfs/dbraw/zinc/64/83/05/621648305.db2.gz HFYUVEZARYKTTI-ZDUSSCGKSA-N 1 2 286.404 3.349 20 30 CGEDLO C=C(Br)C[NH2+]Cc1occc1Br ZINC000227370286 623018720 /nfs/dbraw/zinc/01/87/20/623018720.db2.gz VCOMNUUTPKILOJ-UHFFFAOYSA-N 1 2 294.974 3.040 20 30 CGEDLO CC(C)c1cccc2c1OC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000753900556 623676965 /nfs/dbraw/zinc/67/69/65/623676965.db2.gz NUCFWTZPXQTWMK-FLIBITNWSA-N 1 2 268.316 3.192 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCC2CCC(OC)CC2)c1 ZINC000753992682 623746691 /nfs/dbraw/zinc/74/66/91/623746691.db2.gz ACONHDOFAQROFE-PDGQHHTCSA-N 1 2 291.391 3.415 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990132 623772918 /nfs/dbraw/zinc/77/29/18/623772918.db2.gz XYRVQJLYSMJUKO-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990132 623772949 /nfs/dbraw/zinc/77/29/49/623772949.db2.gz XYRVQJLYSMJUKO-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992986827 623777554 /nfs/dbraw/zinc/77/75/54/623777554.db2.gz HDMGFHFZCKULMQ-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992986827 623777579 /nfs/dbraw/zinc/77/75/79/623777579.db2.gz HDMGFHFZCKULMQ-DZGCQCFKSA-N 1 2 298.858 3.288 20 30 CGEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)n1C ZINC000754942550 623982902 /nfs/dbraw/zinc/98/29/02/623982902.db2.gz BAYAXWDZRBBGCH-UHFFFAOYSA-N 1 2 278.359 3.058 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993784314 624063697 /nfs/dbraw/zinc/06/36/97/624063697.db2.gz CKVGUOGTRKGJIE-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993784314 624063702 /nfs/dbraw/zinc/06/37/02/624063702.db2.gz CKVGUOGTRKGJIE-KBPBESRZSA-N 1 2 296.842 3.064 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]\CCCN(C)c2ccccc2)c1 ZINC000920943720 624555667 /nfs/dbraw/zinc/55/56/67/624555667.db2.gz FYFOYUBLJXOANT-RGEXLXHISA-N 1 2 298.386 3.346 20 30 CGEDLO Oc1cccc(/C=[NH+]\CCCc2ccccc2)c1O ZINC000920943410 624556126 /nfs/dbraw/zinc/55/61/26/624556126.db2.gz XHMLPYYBTDDSIK-ATVHPVEESA-N 1 2 255.317 3.150 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000068961200 624775399 /nfs/dbraw/zinc/77/53/99/624775399.db2.gz FNBQNFDBFPTMIK-UHFFFAOYSA-N 1 2 294.468 3.413 20 30 CGEDLO C=CCn1c(C2CC2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000068961200 624775412 /nfs/dbraw/zinc/77/54/12/624775412.db2.gz FNBQNFDBFPTMIK-UHFFFAOYSA-N 1 2 294.468 3.413 20 30 CGEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C(=O)OC ZINC000839167424 626324616 /nfs/dbraw/zinc/32/46/16/626324616.db2.gz DFNDWYRUDOVSHP-OWLYRPNTSA-N 1 2 299.414 3.113 20 30 CGEDLO Cc1cc(C(N)=[NH+]OCc2ccc(F)cc2F)ccc1F ZINC000753973151 626470611 /nfs/dbraw/zinc/47/06/11/626470611.db2.gz ATXFZBGBKONANF-UHFFFAOYSA-N 1 2 294.276 3.249 20 30 CGEDLO COc1ccc(Cl)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000767291980 627396823 /nfs/dbraw/zinc/39/68/23/627396823.db2.gz QYUURRYZRDCWOP-UHFFFAOYSA-N 1 2 287.750 3.422 20 30 CGEDLO CC#CCCCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000768126205 627461267 /nfs/dbraw/zinc/46/12/67/627461267.db2.gz ULTKNHPKZGJNLM-QGZVFWFLSA-N 1 2 287.403 3.416 20 30 CGEDLO CC#CCCCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000768126205 627461270 /nfs/dbraw/zinc/46/12/70/627461270.db2.gz ULTKNHPKZGJNLM-QGZVFWFLSA-N 1 2 287.403 3.416 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000768153901 627464435 /nfs/dbraw/zinc/46/44/35/627464435.db2.gz PBBWMSUYIBAORW-UHFFFAOYSA-N 1 2 270.298 3.476 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000768153901 627464436 /nfs/dbraw/zinc/46/44/36/627464436.db2.gz PBBWMSUYIBAORW-UHFFFAOYSA-N 1 2 270.298 3.476 20 30 CGEDLO CC[N@@H+](Cc1cnc(Cl)c(C)c1)C[C@H](C)C#N ZINC000768880124 627505868 /nfs/dbraw/zinc/50/58/68/627505868.db2.gz BYYPAIVAONSKIU-SNVBAGLBSA-N 1 2 251.761 3.025 20 30 CGEDLO CC[N@H+](Cc1cnc(Cl)c(C)c1)C[C@H](C)C#N ZINC000768880124 627505871 /nfs/dbraw/zinc/50/58/71/627505871.db2.gz BYYPAIVAONSKIU-SNVBAGLBSA-N 1 2 251.761 3.025 20 30 CGEDLO O=C1c2cc(F)cc(F)c2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769615865 627569882 /nfs/dbraw/zinc/56/98/82/627569882.db2.gz SKQVRPVSETUDHF-POHAHGRESA-N 1 2 296.276 3.435 20 30 CGEDLO CC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N)cc1 ZINC000769829847 627582491 /nfs/dbraw/zinc/58/24/91/627582491.db2.gz JWSKAXIJPAZBFT-UHFFFAOYSA-N 1 2 288.282 3.152 20 30 CGEDLO N#C[C@H]1CCC[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000774273240 627971576 /nfs/dbraw/zinc/97/15/76/627971576.db2.gz QRXOZFFZQGZHLE-HOCLYGCPSA-N 1 2 285.391 3.017 20 30 CGEDLO CCC(CC)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000774469806 627995046 /nfs/dbraw/zinc/99/50/46/627995046.db2.gz BJJUMPPTZNAALR-UHFFFAOYSA-N 1 2 276.409 3.294 20 30 CGEDLO C#CC[N@@H+](CC)Cc1c(Cl)cccc1N1CCCC1 ZINC000775662719 628122292 /nfs/dbraw/zinc/12/22/92/628122292.db2.gz VSPFVGYIMZEVMH-UHFFFAOYSA-N 1 2 276.811 3.395 20 30 CGEDLO C#CC[N@H+](CC)Cc1c(Cl)cccc1N1CCCC1 ZINC000775662719 628122295 /nfs/dbraw/zinc/12/22/95/628122295.db2.gz VSPFVGYIMZEVMH-UHFFFAOYSA-N 1 2 276.811 3.395 20 30 CGEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000775795187 628137580 /nfs/dbraw/zinc/13/75/80/628137580.db2.gz UYPLPFYOKWCZFR-BPUTZDHNSA-N 1 2 296.370 3.173 20 30 CGEDLO C=CCC[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776104379 628167599 /nfs/dbraw/zinc/16/75/99/628167599.db2.gz VGCPPQHZJRFPAX-ZDUSSCGKSA-N 1 2 270.332 3.384 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782160921 628618647 /nfs/dbraw/zinc/61/86/47/628618647.db2.gz WQSYKLCEXHGSPS-UHFFFAOYSA-N 1 2 281.709 3.100 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782160921 628618648 /nfs/dbraw/zinc/61/86/48/628618648.db2.gz WQSYKLCEXHGSPS-UHFFFAOYSA-N 1 2 281.709 3.100 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000782487832 628650006 /nfs/dbraw/zinc/65/00/06/628650006.db2.gz LFLVARRLVRMKRQ-LLVKDONJSA-N 1 2 273.767 3.480 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000782487832 628650008 /nfs/dbraw/zinc/65/00/08/628650008.db2.gz LFLVARRLVRMKRQ-LLVKDONJSA-N 1 2 273.767 3.480 20 30 CGEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783155470 628682657 /nfs/dbraw/zinc/68/26/57/628682657.db2.gz CAVVCSRKBXIEOP-UHFFFAOYSA-N 1 2 297.333 3.247 20 30 CGEDLO CCOc1cccc(/C=[NH+]/CC[C@@H]2CCO[C@@H](C)C2)c1O ZINC000783683892 628739785 /nfs/dbraw/zinc/73/97/85/628739785.db2.gz BKDQAUWWVMIYCU-YKJWAUKPSA-N 1 2 291.391 3.415 20 30 CGEDLO Cc1cccnc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000790186663 629191221 /nfs/dbraw/zinc/19/12/21/629191221.db2.gz ROKGGQAPXWKRKO-UHFFFAOYSA-N 1 2 283.360 3.083 20 30 CGEDLO Cn1cc[nH+]c1NN=Cc1cc(Cl)ccc1Cl ZINC000790302939 629202290 /nfs/dbraw/zinc/20/22/90/629202290.db2.gz NVIQJQXABUIXIL-UHFFFAOYSA-N 1 2 269.135 3.173 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000862449311 629381004 /nfs/dbraw/zinc/38/10/04/629381004.db2.gz DYWUJRQPBVCEMB-CYBMUJFWSA-N 1 2 294.354 3.199 20 30 CGEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000862449311 629381010 /nfs/dbraw/zinc/38/10/10/629381010.db2.gz DYWUJRQPBVCEMB-CYBMUJFWSA-N 1 2 294.354 3.199 20 30 CGEDLO CC(=[NH+]NCC(F)(F)C(F)(F)F)c1ccc(N)cc1C ZINC000863181677 629489906 /nfs/dbraw/zinc/48/99/06/629489906.db2.gz UOTLDFZQJCOIKE-UHFFFAOYSA-N 1 2 295.255 3.088 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CC(C)(C)OC1=O ZINC000794650360 629563922 /nfs/dbraw/zinc/56/39/22/629563922.db2.gz JXZDXQVJRGNFMP-UHFFFAOYSA-N 1 2 288.391 3.253 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CC(C)(C)OC1=O ZINC000794650360 629563925 /nfs/dbraw/zinc/56/39/25/629563925.db2.gz JXZDXQVJRGNFMP-UHFFFAOYSA-N 1 2 288.391 3.253 20 30 CGEDLO C=C(CC)COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796001253 629734440 /nfs/dbraw/zinc/73/44/40/629734440.db2.gz AOLYPVRVUYTZAT-UHFFFAOYSA-N 1 2 294.301 3.132 20 30 CGEDLO CO[C@H]1C[C@@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000864346648 629815084 /nfs/dbraw/zinc/81/50/84/629815084.db2.gz YUXYUMAPQXTJKB-CEAXDJAPSA-N 1 2 269.344 3.389 20 30 CGEDLO N#Cc1ccc2[nH]c(NCc3csc(C4CC4)n3)[nH+]c2c1 ZINC000865296512 630058483 /nfs/dbraw/zinc/05/84/83/630058483.db2.gz YCSQFKNRIYFNGE-UHFFFAOYSA-N 1 2 295.371 3.381 20 30 CGEDLO C[C@@H]1CN(c2ccc([NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CCO1 ZINC000799724694 630225409 /nfs/dbraw/zinc/22/54/09/630225409.db2.gz QMCFJLCQYKWRJV-FMKPAKJESA-N 1 2 285.391 3.016 20 30 CGEDLO C[C@@H]1CC(CC/[NH+]=C/c2cccc(O)c2O)C[C@@H](C)O1 ZINC000801646211 630349215 /nfs/dbraw/zinc/34/92/15/630349215.db2.gz NLPGIZZKYVVGCN-SYRODZOTSA-N 1 2 277.364 3.110 20 30 CGEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCCSC2)c1O ZINC000806550842 630565723 /nfs/dbraw/zinc/56/57/23/630565723.db2.gz GYYKHBXIQDYOLC-SEJMYLSOSA-N 1 2 279.405 3.353 20 30 CGEDLO CC(=NNCC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000808006374 630616981 /nfs/dbraw/zinc/61/69/81/630616981.db2.gz RTZYLOSQUIJVOC-UHFFFAOYSA-N 1 2 282.391 3.376 20 30 CGEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000809565980 630751181 /nfs/dbraw/zinc/75/11/81/630751181.db2.gz CNSXCIITQILHFM-IBGZPJMESA-N 1 2 295.357 3.381 20 30 CGEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000809565980 630751186 /nfs/dbraw/zinc/75/11/86/630751186.db2.gz CNSXCIITQILHFM-IBGZPJMESA-N 1 2 295.357 3.381 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)c1cc(C)on1)c1ccncc1 ZINC000810219302 630855956 /nfs/dbraw/zinc/85/59/56/630855956.db2.gz QLOGZKWLFDKPIQ-JSGCOSHPSA-N 1 2 257.337 3.346 20 30 CGEDLO Oc1cccc(C=NNc2cc[nH+]c3ccccc23)c1Cl ZINC000814841777 631654188 /nfs/dbraw/zinc/65/41/88/631654188.db2.gz WUFRIKYROAKRAT-UHFFFAOYSA-N 1 2 297.745 3.462 20 30 CGEDLO C=CC[C@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccncc1 ZINC000817407663 632140067 /nfs/dbraw/zinc/14/00/67/632140067.db2.gz XNUKQFUMALRZTH-ZDUSSCGKSA-N 1 2 290.798 3.184 20 30 CGEDLO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866272622 633057862 /nfs/dbraw/zinc/05/78/62/633057862.db2.gz XXMHJPKCYFXKKD-CXAGYDPISA-N 1 2 290.407 3.102 20 30 CGEDLO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccc(C#N)c1O ZINC000866312648 633077948 /nfs/dbraw/zinc/07/79/48/633077948.db2.gz PNLWDSYLSXCABY-JTQLQIEISA-N 1 2 280.318 3.492 20 30 CGEDLO CCCCOC(=O)[C@H](C)[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617188 633127099 /nfs/dbraw/zinc/12/70/99/633127099.db2.gz GRVUGWPQRXFPEI-KBPBESRZSA-N 1 2 288.391 3.283 20 30 CGEDLO CCCCOC(=O)[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617188 633127102 /nfs/dbraw/zinc/12/71/02/633127102.db2.gz GRVUGWPQRXFPEI-KBPBESRZSA-N 1 2 288.391 3.283 20 30 CGEDLO C=CCOc1cccc(C[NH2+]Cc2coc(CC)n2)c1 ZINC000825050179 633322092 /nfs/dbraw/zinc/32/20/92/633322092.db2.gz JJVNOZUOKWNLSG-UHFFFAOYSA-N 1 2 272.348 3.092 20 30 CGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC(C)(C)C ZINC000829938065 633811740 /nfs/dbraw/zinc/81/17/40/633811740.db2.gz RPCDVEKKAIXNBX-HNNXBMFYSA-N 1 2 288.391 3.140 20 30 CGEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(C)(C)C ZINC000829938065 633811741 /nfs/dbraw/zinc/81/17/41/633811741.db2.gz RPCDVEKKAIXNBX-HNNXBMFYSA-N 1 2 288.391 3.140 20 30 CGEDLO CC(=[NH+]N1CCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000872397473 634131578 /nfs/dbraw/zinc/13/15/78/634131578.db2.gz RSLOYVHHIUPLFB-UHFFFAOYSA-N 1 2 258.152 3.005 20 30 CGEDLO C#C[C@H]1CC[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000872779970 634208646 /nfs/dbraw/zinc/20/86/46/634208646.db2.gz DUDGZSYONNWKBZ-JOCQHMNTSA-N 1 2 297.406 3.185 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccco1 ZINC000834830266 634250094 /nfs/dbraw/zinc/25/00/94/634250094.db2.gz BDEAWVFOTYYOBV-CHWSQXEVSA-N 1 2 257.337 3.218 20 30 CGEDLO O=[N+]([O-])c1cc(Cl)ccc1N[NH2+]C=C1CC1(F)F ZINC000834942423 634291989 /nfs/dbraw/zinc/29/19/89/634291989.db2.gz KBEHIMLEQBYLHF-LURJTMIESA-N 1 2 275.642 3.301 20 30 CGEDLO Fc1cc(F)c(N[NH2+]C=C2CC2(F)F)cc1F ZINC000834959152 634294484 /nfs/dbraw/zinc/29/44/84/634294484.db2.gz FLTLWEFFYKWWAG-YFKPBYRVSA-N 1 2 250.170 3.157 20 30 CGEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(=O)OCC ZINC000877672073 635141620 /nfs/dbraw/zinc/14/16/20/635141620.db2.gz VTSJSXPKGHUSMR-GXSJLCMTSA-N 1 2 295.757 3.084 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878034603 635331313 /nfs/dbraw/zinc/33/13/13/635331313.db2.gz HYHRBTARVXINDI-LLVKDONJSA-N 1 2 273.767 3.480 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2ccc(Cl)cc2n1 ZINC000878034603 635331323 /nfs/dbraw/zinc/33/13/23/635331323.db2.gz HYHRBTARVXINDI-LLVKDONJSA-N 1 2 273.767 3.480 20 30 CGEDLO CC[C@@H]([NH2+][C@@H](CC)CC#N)C(=O)N(C)c1ccc(C)cc1 ZINC000878698817 635607749 /nfs/dbraw/zinc/60/77/49/635607749.db2.gz IFLLDBNKQGJQEW-GOEBONIOSA-N 1 2 287.407 3.018 20 30 CGEDLO Cc1conc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878729354 635619351 /nfs/dbraw/zinc/61/93/51/635619351.db2.gz XBSOTRJXENNLTM-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO Cc1conc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878729354 635619354 /nfs/dbraw/zinc/61/93/54/635619354.db2.gz XBSOTRJXENNLTM-LBPRGKRZSA-N 1 2 255.321 3.048 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]/CCC2(COC)CC2)c1 ZINC000843267115 635628796 /nfs/dbraw/zinc/62/87/96/635628796.db2.gz UUGSZVSLZVJRSO-GZTJUZNOSA-N 1 2 277.364 3.027 20 30 CGEDLO CCCCCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000127673146 635760812 /nfs/dbraw/zinc/76/08/12/635760812.db2.gz RELYMAXHYFHNNU-UHFFFAOYSA-N 1 2 295.452 3.430 20 30 CGEDLO CCCCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000127673146 635760818 /nfs/dbraw/zinc/76/08/18/635760818.db2.gz RELYMAXHYFHNNU-UHFFFAOYSA-N 1 2 295.452 3.430 20 30 CGEDLO COc1ccccc1[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000879630025 635822877 /nfs/dbraw/zinc/82/28/77/635822877.db2.gz DVRGKVLFFNPSJM-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccccc1[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000879630025 635822880 /nfs/dbraw/zinc/82/28/80/635822880.db2.gz DVRGKVLFFNPSJM-MRXNPFEDSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccc([C@@H]2C[N@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000879633856 635823808 /nfs/dbraw/zinc/82/38/08/635823808.db2.gz LQRAKXSOHOQEKF-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO COc1ccc([C@@H]2C[N@@H+](CCC(C)(C)C#N)CCO2)cc1 ZINC000879633856 635823811 /nfs/dbraw/zinc/82/38/11/635823811.db2.gz LQRAKXSOHOQEKF-INIZCTEOSA-N 1 2 288.391 3.008 20 30 CGEDLO FC(F)C(F)(F)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669533 635831129 /nfs/dbraw/zinc/83/11/29/635831129.db2.gz ROEWEJWVBLEGJQ-RNFRBKRXSA-N 1 2 279.199 3.374 20 30 CGEDLO C=CCCC[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000882233636 636294666 /nfs/dbraw/zinc/29/46/66/636294666.db2.gz AQDARCYHPWPIMA-QGZVFWFLSA-N 1 2 297.402 3.487 20 30 CGEDLO CC(C)(C#N)CCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000847902066 636487204 /nfs/dbraw/zinc/48/72/04/636487204.db2.gz FVUFVAOCOSXOAS-UHFFFAOYSA-N 1 2 297.358 3.028 20 30 CGEDLO C=CCOc1ccccc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882992328 636495216 /nfs/dbraw/zinc/49/52/16/636495216.db2.gz SZWJIJXHSXYWBK-UHFFFAOYSA-N 1 2 285.391 3.388 20 30 CGEDLO c1cn(CCCNN=C2CCCC23CCCCC3)c[nH+]1 ZINC000848416664 636571785 /nfs/dbraw/zinc/57/17/85/636571785.db2.gz UIPIZZUPDLDSTH-UHFFFAOYSA-N 1 2 274.412 3.353 20 30 CGEDLO CC(C)C(=NNCCCn1cc[nH+]c1)C1CCCCC1 ZINC000848417630 636573285 /nfs/dbraw/zinc/57/32/85/636573285.db2.gz CTJKYZNSBZIWLO-UHFFFAOYSA-N 1 2 276.428 3.455 20 30 CGEDLO C#C[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000848923436 636693438 /nfs/dbraw/zinc/69/34/38/636693438.db2.gz DXTLKRPXHUIARY-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C#C[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000848923436 636693443 /nfs/dbraw/zinc/69/34/43/636693443.db2.gz DXTLKRPXHUIARY-SNVBAGLBSA-N 1 2 269.175 3.234 20 30 CGEDLO C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000883392244 636736714 /nfs/dbraw/zinc/73/67/14/636736714.db2.gz CTXPXZLSVTWSGS-SMDDNHRTSA-N 1 2 283.799 3.413 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CCC2CC(OC)C2)c(O)c1 ZINC000849171361 636763810 /nfs/dbraw/zinc/76/38/10/636763810.db2.gz UNZQTLVXBAABFG-BOPFTXTBSA-N 1 2 277.364 3.025 20 30 CGEDLO Cc1ccc2c(C[N@@H+]3CC[C@@](C)(C#N)C3)cc(=O)oc2c1C ZINC000852684849 637695916 /nfs/dbraw/zinc/69/59/16/637695916.db2.gz OXADXZYKXSBRCK-SFHVURJKSA-N 1 2 296.370 3.145 20 30 CGEDLO Cc1ccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)cc(=O)oc2c1C ZINC000852684849 637695922 /nfs/dbraw/zinc/69/59/22/637695922.db2.gz OXADXZYKXSBRCK-SFHVURJKSA-N 1 2 296.370 3.145 20 30 CGEDLO CC[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000853370369 637826898 /nfs/dbraw/zinc/82/68/98/637826898.db2.gz LFDQHOFISSCLLX-CQSZACIVSA-N 1 2 262.401 3.209 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCC[C@H]1OC ZINC000853468938 637850141 /nfs/dbraw/zinc/85/01/41/637850141.db2.gz AWGRKMIKAPMHIE-LSDHHAIUSA-N 1 2 288.391 3.101 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCCOCC1CCC1 ZINC000853480783 637853321 /nfs/dbraw/zinc/85/33/21/637853321.db2.gz PGEIOOCFAUZIHC-UHFFFAOYSA-N 1 2 288.391 3.102 20 30 CGEDLO CC[C@@H]([NH2+][C@H](C)CSC)c1cccc(C#N)c1O ZINC000925095691 638451002 /nfs/dbraw/zinc/45/10/02/638451002.db2.gz KTWITCSNPLPLJA-ZWNOBZJWSA-N 1 2 264.394 3.056 20 30 CGEDLO CCc1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)on1 ZINC000925127763 638457895 /nfs/dbraw/zinc/45/78/95/638457895.db2.gz HVJUVIDWTSMTGY-HNNXBMFYSA-N 1 2 285.347 3.055 20 30 CGEDLO COc1cc(C[NH2+][C@H]2CCCc3oc(C)nc32)ccc1C#N ZINC000926448388 638772434 /nfs/dbraw/zinc/77/24/34/638772434.db2.gz DVASGSJNIYOSLU-AWEZNQCLSA-N 1 2 297.358 3.031 20 30 CGEDLO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc(C#N)c1O ZINC000926547762 638783652 /nfs/dbraw/zinc/78/36/52/638783652.db2.gz PGWPQCCIITXIEF-CQSZACIVSA-N 1 2 290.407 3.102 20 30 CGEDLO C#C[C@H]1CC[C@H]([NH2+][C@H](CC)c2cccc(C#N)c2O)CC1 ZINC000926838354 638816557 /nfs/dbraw/zinc/81/65/57/638816557.db2.gz DHLOWZIANUSVRP-FRFSOERESA-N 1 2 282.387 3.497 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)Cc2c[nH]nc21 ZINC000931461288 639154432 /nfs/dbraw/zinc/15/44/32/639154432.db2.gz SIAJKGKZURQZAJ-LBPRGKRZSA-N 1 2 285.778 3.034 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)Cc2c[nH]nc21 ZINC000931461288 639154437 /nfs/dbraw/zinc/15/44/37/639154437.db2.gz SIAJKGKZURQZAJ-LBPRGKRZSA-N 1 2 285.778 3.034 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000932150373 639276100 /nfs/dbraw/zinc/27/61/00/639276100.db2.gz GYKJEBZGUVNGEO-MLGOLLRUSA-N 1 2 258.340 3.439 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000932150373 639276106 /nfs/dbraw/zinc/27/61/06/639276106.db2.gz GYKJEBZGUVNGEO-MLGOLLRUSA-N 1 2 258.340 3.439 20 30 CGEDLO N#C[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000932150375 639276876 /nfs/dbraw/zinc/27/68/76/639276876.db2.gz GYKJEBZGUVNGEO-WBMJQRKESA-N 1 2 258.340 3.439 20 30 CGEDLO N#C[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000932150375 639276882 /nfs/dbraw/zinc/27/68/82/639276882.db2.gz GYKJEBZGUVNGEO-WBMJQRKESA-N 1 2 258.340 3.439 20 30 CGEDLO C[C@]1([NH2+]Cc2cccc(F)c2C#N)CCOc2ccccc21 ZINC000933369497 639441928 /nfs/dbraw/zinc/44/19/28/639441928.db2.gz HJXLUTUIVASDJO-SFHVURJKSA-N 1 2 296.345 3.485 20 30 CGEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000934466822 639613321 /nfs/dbraw/zinc/61/33/21/639613321.db2.gz NOGNGZSOUIUIFG-LLVKDONJSA-N 1 2 282.746 3.068 20 30 CGEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000934466822 639613332 /nfs/dbraw/zinc/61/33/32/639613332.db2.gz NOGNGZSOUIUIFG-LLVKDONJSA-N 1 2 282.746 3.068 20 30 CGEDLO C#C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000934519840 639624763 /nfs/dbraw/zinc/62/47/63/639624763.db2.gz VOTVWYUXEFAINL-OAHLLOKOSA-N 1 2 296.370 3.338 20 30 CGEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2OC)n1 ZINC000934519840 639624767 /nfs/dbraw/zinc/62/47/67/639624767.db2.gz VOTVWYUXEFAINL-OAHLLOKOSA-N 1 2 296.370 3.338 20 30 CGEDLO CC[N@@H+](Cc1cccc(Br)c1O)C[C@H](C)C#N ZINC000091983495 640727312 /nfs/dbraw/zinc/72/73/12/640727312.db2.gz GABIZYUVITZAEQ-SNVBAGLBSA-N 1 2 297.196 3.136 20 30 CGEDLO CC[N@H+](Cc1cccc(Br)c1O)C[C@H](C)C#N ZINC000091983495 640727313 /nfs/dbraw/zinc/72/73/13/640727313.db2.gz GABIZYUVITZAEQ-SNVBAGLBSA-N 1 2 297.196 3.136 20 30 CGEDLO CC1(C)CCC[N@H+](CCCCCn2cccn2)[C@@H]1C#N ZINC000277836970 641030198 /nfs/dbraw/zinc/03/01/98/641030198.db2.gz RWOITDBSFDXUFA-OAHLLOKOSA-N 1 2 274.412 3.068 20 30 CGEDLO CC1(C)CCC[N@@H+](CCCCCn2cccn2)[C@@H]1C#N ZINC000277836970 641030202 /nfs/dbraw/zinc/03/02/02/641030202.db2.gz RWOITDBSFDXUFA-OAHLLOKOSA-N 1 2 274.412 3.068 20 30 CGEDLO N#Cc1cccc(-c2cc(F)ccc2C[NH+]2CCOCC2)c1 ZINC001250584099 805707259 /nfs/dbraw/zinc/70/72/59/805707259.db2.gz ISGRRDLYWDJUCC-UHFFFAOYSA-N 1 2 296.345 3.197 20 30 CGEDLO COc1cc(OC)cc([C@H](C)Nc2cc(CC#N)cc[nH+]2)c1 ZINC001159812454 806177668 /nfs/dbraw/zinc/17/76/68/806177668.db2.gz QHTISLDDUMUROZ-LBPRGKRZSA-N 1 2 297.358 3.338 20 30 CGEDLO Cc1cc(F)cnc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001160020931 806214869 /nfs/dbraw/zinc/21/48/69/806214869.db2.gz NLFUESJKLNOBHC-UHFFFAOYSA-N 1 2 295.317 3.425 20 30 CGEDLO C#CC[N@@H+](Cc1csc(-c2ccccn2)n1)CC1CC1 ZINC001254033571 806331684 /nfs/dbraw/zinc/33/16/84/806331684.db2.gz POCUSNHBFPJCPC-UHFFFAOYSA-N 1 2 283.400 3.050 20 30 CGEDLO C#CC[N@H+](Cc1csc(-c2ccccn2)n1)CC1CC1 ZINC001254033571 806331691 /nfs/dbraw/zinc/33/16/91/806331691.db2.gz POCUSNHBFPJCPC-UHFFFAOYSA-N 1 2 283.400 3.050 20 30 CGEDLO COc1cc[nH+]c(C(C)(C)CNc2cc(C#N)cc(C)n2)c1 ZINC001162130958 806509700 /nfs/dbraw/zinc/50/97/00/806509700.db2.gz OUJGSBRTMUBXIR-UHFFFAOYSA-N 1 2 296.374 3.055 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001255162382 806561242 /nfs/dbraw/zinc/56/12/42/806561242.db2.gz OPZDTIKIRBALQN-JSGCOSHPSA-N 1 2 263.772 3.468 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165233 806563260 /nfs/dbraw/zinc/56/32/60/806563260.db2.gz VXHIUYQBVULXSK-CJNGLKHVSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001255165233 806563268 /nfs/dbraw/zinc/56/32/68/806563268.db2.gz VXHIUYQBVULXSK-CJNGLKHVSA-N 1 2 295.427 3.058 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001255174217 806568850 /nfs/dbraw/zinc/56/88/50/806568850.db2.gz UHTOKBSGZVENDH-ZBFHGGJFSA-N 1 2 290.432 3.477 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001255174217 806568853 /nfs/dbraw/zinc/56/88/53/806568853.db2.gz UHTOKBSGZVENDH-ZBFHGGJFSA-N 1 2 290.432 3.477 20 30 CGEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001255298581 806598775 /nfs/dbraw/zinc/59/87/75/806598775.db2.gz DPGRIMATOXJACD-WBMJQRKESA-N 1 2 265.397 3.053 20 30 CGEDLO N#CCc1cc[nH+]c(NCc2ccnc(C(F)(F)F)c2)c1 ZINC001162739549 806655395 /nfs/dbraw/zinc/65/53/95/806655395.db2.gz HSMAUNRXHLMZBZ-UHFFFAOYSA-N 1 2 292.264 3.174 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1F ZINC000404827918 799579110 /nfs/dbraw/zinc/57/91/10/799579110.db2.gz HCHADZZFSDSHFR-UHFFFAOYSA-N 1 2 281.743 3.097 20 30 CGEDLO CC(=O)C=C(C)Nc1cccc(N2CCCC[C@H]2C)[nH+]1 ZINC001163738028 806812861 /nfs/dbraw/zinc/81/28/61/806812861.db2.gz PIXWZHIPWAZCPB-YLGBQOPLSA-N 1 2 273.380 3.365 20 30 CGEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(Br)cnc1OC ZINC000934459246 800678833 /nfs/dbraw/zinc/67/88/33/800678833.db2.gz HJLNRUMYLPZWIH-LBPRGKRZSA-N 1 2 297.196 3.003 20 30 CGEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(Br)cnc1OC ZINC000934459246 800678838 /nfs/dbraw/zinc/67/88/38/800678838.db2.gz HJLNRUMYLPZWIH-LBPRGKRZSA-N 1 2 297.196 3.003 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001029420024 800867877 /nfs/dbraw/zinc/86/78/77/800867877.db2.gz QCARSTFZDWPSNG-CSEUZHBESA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001029420024 800867883 /nfs/dbraw/zinc/86/78/83/800867883.db2.gz QCARSTFZDWPSNG-CSEUZHBESA-N 1 2 296.842 3.016 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033040 800950746 /nfs/dbraw/zinc/95/07/46/800950746.db2.gz NFUZJMRVYDUMMV-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033040 800950752 /nfs/dbraw/zinc/95/07/52/800950752.db2.gz NFUZJMRVYDUMMV-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574004 800968551 /nfs/dbraw/zinc/96/85/51/800968551.db2.gz LFFRXGDDQTXNDJ-HIFRSBDPSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033574004 800968554 /nfs/dbraw/zinc/96/85/54/800968554.db2.gz LFFRXGDDQTXNDJ-HIFRSBDPSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CC2CCCCCC2)C1 ZINC001043976994 801225418 /nfs/dbraw/zinc/22/54/18/801225418.db2.gz KQJOIPAGZXLGMX-UHFFFAOYSA-N 1 2 278.440 3.066 20 30 CGEDLO COc1ccc(CCCNc2ccc(CC#N)c[nH+]2)cc1 ZINC001164188572 806910677 /nfs/dbraw/zinc/91/06/77/806910677.db2.gz KKNREBJXCJCIJU-UHFFFAOYSA-N 1 2 281.359 3.201 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCC1)C2 ZINC001095831174 801885739 /nfs/dbraw/zinc/88/57/39/801885739.db2.gz WWXFSJHOAGLNDT-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCC1)C2 ZINC001095831174 801885746 /nfs/dbraw/zinc/88/57/46/801885746.db2.gz WWXFSJHOAGLNDT-RDBSUJKOSA-N 1 2 296.842 3.041 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)Cl ZINC001109681870 802123183 /nfs/dbraw/zinc/12/31/83/802123183.db2.gz KUTDRKBRQHVZMF-HOSILWTGSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)Cl ZINC001109681870 802123188 /nfs/dbraw/zinc/12/31/88/802123188.db2.gz KUTDRKBRQHVZMF-HOSILWTGSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC)C2 ZINC001110283530 802136974 /nfs/dbraw/zinc/13/69/74/802136974.db2.gz FFBXZTUCMMCLMS-MCIONIFRSA-N 1 2 284.831 3.041 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC)C2 ZINC001110283530 802136977 /nfs/dbraw/zinc/13/69/77/802136977.db2.gz FFBXZTUCMMCLMS-MCIONIFRSA-N 1 2 284.831 3.041 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(C)C)C2 ZINC001111168380 802155264 /nfs/dbraw/zinc/15/52/64/802155264.db2.gz QJIGJUXYMLJSED-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(C)C)C2 ZINC001111168380 802155270 /nfs/dbraw/zinc/15/52/70/802155270.db2.gz QJIGJUXYMLJSED-MCIONIFRSA-N 1 2 298.858 3.287 20 30 CGEDLO Cc1cc(NCc2cccc(OCC#N)c2)nc(C2CC2)[nH+]1 ZINC001116081411 802297616 /nfs/dbraw/zinc/29/76/16/802297616.db2.gz PFEVFVYJIKHRSB-UHFFFAOYSA-N 1 2 294.358 3.177 20 30 CGEDLO COc1ccc(-c2cc(N3CCCC3)cc[nH+]2)c(C#N)c1 ZINC001243730395 802969575 /nfs/dbraw/zinc/96/95/75/802969575.db2.gz WDLAWWDAMMLSQR-UHFFFAOYSA-N 1 2 279.343 3.229 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)nc(F)c2)cc1C#N ZINC001243969207 803109524 /nfs/dbraw/zinc/10/95/24/803109524.db2.gz NPBNMISNXITXLO-DJKKODMXSA-N 1 2 286.285 3.120 20 30 CGEDLO Cc1ccc(O)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001244448898 803372692 /nfs/dbraw/zinc/37/26/92/803372692.db2.gz FTTJXISONSUUQX-YBFXNURJSA-N 1 2 279.343 3.461 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132282066 803392637 /nfs/dbraw/zinc/39/26/37/803392637.db2.gz HRWSVVAVCZAALC-KGLIPLIRSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132282066 803392642 /nfs/dbraw/zinc/39/26/42/803392642.db2.gz HRWSVVAVCZAALC-KGLIPLIRSA-N 1 2 298.858 3.144 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397771 803400551 /nfs/dbraw/zinc/40/05/51/803400551.db2.gz WMNJXUYZBAQNJA-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132397771 803400552 /nfs/dbraw/zinc/40/05/52/803400552.db2.gz WMNJXUYZBAQNJA-UONOGXRCSA-N 1 2 298.858 3.288 20 30 CGEDLO N#Cc1c(Cl)cccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001244724024 803513946 /nfs/dbraw/zinc/51/39/46/803513946.db2.gz JROXPBQRVHORAX-UHFFFAOYSA-N 1 2 268.707 3.109 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137891328 803797111 /nfs/dbraw/zinc/79/71/11/803797111.db2.gz KVPFHUQXSKLQMA-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC001137891328 803797115 /nfs/dbraw/zinc/79/71/15/803797115.db2.gz KVPFHUQXSKLQMA-JTQLQIEISA-N 1 2 268.282 3.230 20 30 CGEDLO Cc1cc(-c2ccc(C(C)(C)C#N)cc2)c[nH+]c1N ZINC001245538541 803797127 /nfs/dbraw/zinc/79/71/27/803797127.db2.gz NVOMAFIIOJVQIU-UHFFFAOYSA-N 1 2 251.333 3.440 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138623091 803983163 /nfs/dbraw/zinc/98/31/63/803983163.db2.gz GUPYPAKHXAMJPU-KRWDZBQOSA-N 1 2 294.358 3.004 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138623091 803983170 /nfs/dbraw/zinc/98/31/70/803983170.db2.gz GUPYPAKHXAMJPU-KRWDZBQOSA-N 1 2 294.358 3.004 20 30 CGEDLO C=CCOc1ccccc1C[NH+]1CC2(C1)CCCCO2 ZINC001139028810 804112261 /nfs/dbraw/zinc/11/22/61/804112261.db2.gz DCROQPTZFDSMSK-UHFFFAOYSA-N 1 2 273.376 3.006 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001139687558 804253862 /nfs/dbraw/zinc/25/38/62/804253862.db2.gz SNDDXJXVROJQDJ-PWSUYJOCSA-N 1 2 282.721 3.299 20 30 CGEDLO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001139687558 804253870 /nfs/dbraw/zinc/25/38/70/804253870.db2.gz SNDDXJXVROJQDJ-PWSUYJOCSA-N 1 2 282.721 3.299 20 30 CGEDLO Cc1nc2c(o1)CC[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139693168 804256686 /nfs/dbraw/zinc/25/66/86/804256686.db2.gz RUEFJBAXWKJTCP-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO Cc1nc2c(o1)CC[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139693168 804256688 /nfs/dbraw/zinc/25/66/88/804256688.db2.gz RUEFJBAXWKJTCP-UHFFFAOYSA-N 1 2 287.750 3.066 20 30 CGEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1C#N ZINC001139722796 804268148 /nfs/dbraw/zinc/26/81/48/804268148.db2.gz GLIDKYRSVHNXQX-HUUCEWRRSA-N 1 2 264.319 3.139 20 30 CGEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1C#N ZINC001139722796 804268156 /nfs/dbraw/zinc/26/81/56/804268156.db2.gz GLIDKYRSVHNXQX-HUUCEWRRSA-N 1 2 264.319 3.139 20 30 CGEDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139873234 804305753 /nfs/dbraw/zinc/30/57/53/804305753.db2.gz GAWRIYUMFIENDP-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO COc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139873234 804305756 /nfs/dbraw/zinc/30/57/56/804305756.db2.gz GAWRIYUMFIENDP-UHFFFAOYSA-N 1 2 296.345 3.264 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108385 804379834 /nfs/dbraw/zinc/37/98/34/804379834.db2.gz VJGUPTVRQYLFFG-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140108385 804379844 /nfs/dbraw/zinc/37/98/44/804379844.db2.gz VJGUPTVRQYLFFG-NSHDSACASA-N 1 2 283.297 3.226 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1cc(Cl)ccc1N ZINC001140715115 804494320 /nfs/dbraw/zinc/49/43/20/804494320.db2.gz JIUHQDNSSUCWRR-UHFFFAOYSA-N 1 2 265.788 3.438 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1cc(Cl)ccc1N ZINC001140715115 804494324 /nfs/dbraw/zinc/49/43/24/804494324.db2.gz JIUHQDNSSUCWRR-UHFFFAOYSA-N 1 2 265.788 3.438 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)C2CCCC2)c1F ZINC001141221106 804613355 /nfs/dbraw/zinc/61/33/55/804613355.db2.gz AARMHGISNKQYPT-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1F ZINC001141221106 804613359 /nfs/dbraw/zinc/61/33/59/804613359.db2.gz AARMHGISNKQYPT-UHFFFAOYSA-N 1 2 276.355 3.493 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c(C)onc1-c1ccccc1 ZINC001141985951 804684878 /nfs/dbraw/zinc/68/48/78/804684878.db2.gz QDCCXFXSIMACKZ-UHFFFAOYSA-N 1 2 269.348 3.386 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c(C)onc1-c1ccccc1 ZINC001141985951 804684880 /nfs/dbraw/zinc/68/48/80/804684880.db2.gz QDCCXFXSIMACKZ-UHFFFAOYSA-N 1 2 269.348 3.386 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(C#N)c1F ZINC001143173689 804813913 /nfs/dbraw/zinc/81/39/13/804813913.db2.gz COOCWRTZUORGMM-UHFFFAOYSA-N 1 2 250.292 3.234 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1c(F)ccc(C#N)c1F ZINC001143173689 804813918 /nfs/dbraw/zinc/81/39/18/804813918.db2.gz COOCWRTZUORGMM-UHFFFAOYSA-N 1 2 250.292 3.234 20 30 CGEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001143167398 804814980 /nfs/dbraw/zinc/81/49/80/804814980.db2.gz UMZCGYCRKFPXQU-PHIMTYICSA-N 1 2 298.283 3.314 20 30 CGEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001143167398 804814989 /nfs/dbraw/zinc/81/49/89/804814989.db2.gz UMZCGYCRKFPXQU-PHIMTYICSA-N 1 2 298.283 3.314 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001143412254 804850142 /nfs/dbraw/zinc/85/01/42/804850142.db2.gz NQSNAJOJEBLRGB-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143412254 804850148 /nfs/dbraw/zinc/85/01/48/804850148.db2.gz NQSNAJOJEBLRGB-NSHDSACASA-N 1 2 280.318 3.099 20 30 CGEDLO N#CC1CC[NH+](Cc2ccc(O)cc2C(F)(F)F)CC1 ZINC001144380659 804979953 /nfs/dbraw/zinc/97/99/53/804979953.db2.gz KZJHJSTUUGTSAF-UHFFFAOYSA-N 1 2 284.281 3.147 20 30 CGEDLO C=C(Cc1ccccc1)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144390010 804981192 /nfs/dbraw/zinc/98/11/92/804981192.db2.gz XUHGDUMFGBTQKF-UHFFFAOYSA-N 1 2 277.327 3.072 20 30 CGEDLO C#Cc1ccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)cc1 ZINC001144576449 805008101 /nfs/dbraw/zinc/00/81/01/805008101.db2.gz LAPBCEXUQMSVKK-UHFFFAOYSA-N 1 2 281.330 3.070 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)CC1 ZINC001249529541 805168666 /nfs/dbraw/zinc/16/86/66/805168666.db2.gz RWOMIVSPMHVZQU-LLVKDONJSA-N 1 2 261.394 3.146 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)CC1 ZINC001249529541 805168671 /nfs/dbraw/zinc/16/86/71/805168671.db2.gz RWOMIVSPMHVZQU-LLVKDONJSA-N 1 2 261.394 3.146 20 30 CGEDLO N#Cc1cnc(Nc2cc[nH+]cc2C(F)(F)F)c(Cl)c1 ZINC001249584210 805180381 /nfs/dbraw/zinc/18/03/81/805180381.db2.gz RIDACHHVVGVFBU-UHFFFAOYSA-N 1 2 298.655 3.186 20 30 CGEDLO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)cn1 ZINC001250320033 805565248 /nfs/dbraw/zinc/56/52/48/805565248.db2.gz XTHFIPUEVOBSLM-UHFFFAOYSA-N 1 2 293.798 3.259 20 30 CGEDLO C#Cc1cc(Nc2ccc(C3CCOCC3)cc2)cc[nH+]1 ZINC001212650715 815094528 /nfs/dbraw/zinc/09/45/28/815094528.db2.gz XUGJIMDDSWLWFJ-UHFFFAOYSA-N 1 2 278.355 3.122 20 30 CGEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC001167548508 807204755 /nfs/dbraw/zinc/20/47/55/807204755.db2.gz AAHUANVTWWPZJY-NVXWUHKLSA-N 1 2 257.377 3.170 20 30 CGEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC001167548508 807204763 /nfs/dbraw/zinc/20/47/63/807204763.db2.gz AAHUANVTWWPZJY-NVXWUHKLSA-N 1 2 257.377 3.170 20 30 CGEDLO C=C1C[C@@H]2CC([N@@H+]3CCOCC(F)(F)C3)C[C@H](C1)C2 ZINC001257891935 807242451 /nfs/dbraw/zinc/24/24/51/807242451.db2.gz RLQSGGBWCUSHBV-PBWFPOADSA-N 1 2 271.351 3.089 20 30 CGEDLO C=C1C[C@@H]2CC([N@H+]3CCOCC(F)(F)C3)C[C@H](C1)C2 ZINC001257891935 807242456 /nfs/dbraw/zinc/24/24/56/807242456.db2.gz RLQSGGBWCUSHBV-PBWFPOADSA-N 1 2 271.351 3.089 20 30 CGEDLO CCOC(=O)CCC[C@H](C)[NH2+]C1(C#N)CCCCCC1 ZINC001258102627 807310490 /nfs/dbraw/zinc/31/04/90/807310490.db2.gz HMZHCLSSJKPAID-AWEZNQCLSA-N 1 2 280.412 3.314 20 30 CGEDLO CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258337580 807417757 /nfs/dbraw/zinc/41/77/57/807417757.db2.gz NMNCCFLXHDTMBX-JQWIXIFHSA-N 1 2 285.478 3.181 20 30 CGEDLO CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258337580 807417760 /nfs/dbraw/zinc/41/77/60/807417760.db2.gz NMNCCFLXHDTMBX-JQWIXIFHSA-N 1 2 285.478 3.181 20 30 CGEDLO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697854 807551438 /nfs/dbraw/zinc/55/14/38/807551438.db2.gz SPADDAXGQCIBDH-BNOWGMLFSA-N 1 2 279.449 3.475 20 30 CGEDLO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697854 807551444 /nfs/dbraw/zinc/55/14/44/807551444.db2.gz SPADDAXGQCIBDH-BNOWGMLFSA-N 1 2 279.449 3.475 20 30 CGEDLO CCCC[N@H+](CC#N)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005624 807737778 /nfs/dbraw/zinc/73/77/78/807737778.db2.gz SSRMOTFSNMRZQW-UHFFFAOYSA-N 1 2 267.417 3.023 20 30 CGEDLO CCCC[N@@H+](CC#N)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005624 807737781 /nfs/dbraw/zinc/73/77/81/807737781.db2.gz SSRMOTFSNMRZQW-UHFFFAOYSA-N 1 2 267.417 3.023 20 30 CGEDLO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170079173 807748839 /nfs/dbraw/zinc/74/88/39/807748839.db2.gz YAGASDWVSQUQTG-TZMCWYRMSA-N 1 2 267.438 3.475 20 30 CGEDLO CC(C)CCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170079173 807748844 /nfs/dbraw/zinc/74/88/44/807748844.db2.gz YAGASDWVSQUQTG-TZMCWYRMSA-N 1 2 267.438 3.475 20 30 CGEDLO CCN(C)c1ccc(NC2=CC[C@@H](C#N)CC2)c[nH+]1 ZINC001212859118 815162174 /nfs/dbraw/zinc/16/21/74/815162174.db2.gz ATNORMNRNVIIJI-GFCCVEGCSA-N 1 2 256.353 3.157 20 30 CGEDLO CCCc1cc(NCCCS)nc(CCC)[nH+]1 ZINC001171001252 807956669 /nfs/dbraw/zinc/95/66/69/807956669.db2.gz UYXGENQIXMCGGV-UHFFFAOYSA-N 1 2 253.415 3.113 20 30 CGEDLO N#C[C@@H]1CC=C(Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001212860577 815163290 /nfs/dbraw/zinc/16/32/90/815163290.db2.gz AFOCEXOUOOAJQK-CYBMUJFWSA-N 1 2 264.332 3.492 20 30 CGEDLO N#Cc1cccc2c1CC[C@H]2Nc1ccn2cc[nH+]c2c1 ZINC001171065410 807979110 /nfs/dbraw/zinc/97/91/10/807979110.db2.gz ZNNOLCZIUSQLKY-MRXNPFEDSA-N 1 2 274.327 3.305 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@H]([N@@H+]1CC[C@H](C#N)C1)CC2 ZINC001171322108 808026841 /nfs/dbraw/zinc/02/68/41/808026841.db2.gz RZOZKXLXCJABAQ-VXGBXAGGSA-N 1 2 290.794 3.051 20 30 CGEDLO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CC[C@H](C#N)C1)CC2 ZINC001171322108 808026846 /nfs/dbraw/zinc/02/68/46/808026846.db2.gz RZOZKXLXCJABAQ-VXGBXAGGSA-N 1 2 290.794 3.051 20 30 CGEDLO CCOC(=O)C1(C)CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001171939596 808156380 /nfs/dbraw/zinc/15/63/80/808156380.db2.gz UQRICOMSAHLEHN-AVVWSFFYSA-N 1 2 280.412 3.026 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CC1CCCCC1 ZINC001266375012 808251911 /nfs/dbraw/zinc/25/19/11/808251911.db2.gz KFZBSDPBYAKSTQ-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CC1CCCCC1 ZINC001266375012 808251914 /nfs/dbraw/zinc/25/19/14/808251914.db2.gz KFZBSDPBYAKSTQ-UHFFFAOYSA-N 1 2 286.847 3.147 20 30 CGEDLO Cc1ccc2c(c1)C[C@H]([NH2+][C@](C)(C#N)C(C)C)CC2 ZINC001172827468 808449418 /nfs/dbraw/zinc/44/94/18/808449418.db2.gz AZBLTEPOTLHYFZ-IAGOWNOFSA-N 1 2 256.393 3.380 20 30 CGEDLO COc1cccc(C#N)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213032815 815207177 /nfs/dbraw/zinc/20/71/77/815207177.db2.gz ZCSYLPXZBUFCEB-UHFFFAOYSA-N 1 2 264.288 3.187 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772509 808488494 /nfs/dbraw/zinc/48/84/94/808488494.db2.gz VGNFHMUEPCSBJJ-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772509 808488500 /nfs/dbraw/zinc/48/85/00/808488500.db2.gz VGNFHMUEPCSBJJ-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C=CCOC1CCC([NH2+][C@](C)(C#N)CCC)CC1 ZINC001173318642 808610291 /nfs/dbraw/zinc/61/02/91/808610291.db2.gz HFNLMFYJFDZZII-NRXISQOPSA-N 1 2 250.386 3.172 20 30 CGEDLO CCC[C@@](C)(C#N)[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173607288 808652130 /nfs/dbraw/zinc/65/21/30/808652130.db2.gz OQYYUJWQELMARG-HTUOJYHCSA-N 1 2 292.423 3.170 20 30 CGEDLO C[N@H+](CC#N)C1CCC2(CCc3ccccc32)CC1 ZINC001173689799 808665952 /nfs/dbraw/zinc/66/59/52/808665952.db2.gz LLIQUCZLTOCMJE-UHFFFAOYSA-N 1 2 254.377 3.269 20 30 CGEDLO C[N@@H+](CC#N)C1CCC2(CCc3ccccc32)CC1 ZINC001173689799 808665955 /nfs/dbraw/zinc/66/59/55/808665955.db2.gz LLIQUCZLTOCMJE-UHFFFAOYSA-N 1 2 254.377 3.269 20 30 CGEDLO Nc1ccccc1C(NO)=[NH+]c1cccc2ccccc21 ZINC001173797289 808673943 /nfs/dbraw/zinc/67/39/43/808673943.db2.gz FBQVAOSTGAVXKN-UHFFFAOYSA-N 1 2 277.327 3.479 20 30 CGEDLO C=C(CNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001274941176 808892813 /nfs/dbraw/zinc/89/28/13/808892813.db2.gz FGVHFWUIGDQNND-UHFFFAOYSA-N 1 2 280.371 3.450 20 30 CGEDLO N#Cc1cc(O)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523943 809060749 /nfs/dbraw/zinc/06/07/49/809060749.db2.gz ZIBGOIPSUKYHNS-UHFFFAOYSA-N 1 2 294.358 3.393 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CCCC)C1 ZINC001278388312 809130442 /nfs/dbraw/zinc/13/04/42/809130442.db2.gz JKYIOKJIGJUQGZ-SWLSCSKDSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CCCC)C1 ZINC001278388312 809130447 /nfs/dbraw/zinc/13/04/47/809130447.db2.gz JKYIOKJIGJUQGZ-SWLSCSKDSA-N 1 2 286.847 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001282412293 809246771 /nfs/dbraw/zinc/24/67/71/809246771.db2.gz MNWDESAGLKLAEW-CHWSQXEVSA-N 1 2 288.863 3.248 20 30 CGEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001282412293 809246776 /nfs/dbraw/zinc/24/67/76/809246776.db2.gz MNWDESAGLKLAEW-CHWSQXEVSA-N 1 2 288.863 3.248 20 30 CGEDLO CN(C)c1ccc(Nc2c(Cl)cccc2C#N)c[nH+]1 ZINC001175343692 809368605 /nfs/dbraw/zinc/36/86/05/809368605.db2.gz LZWIDTXPVCKIIH-UHFFFAOYSA-N 1 2 272.739 3.416 20 30 CGEDLO CC(C)n1ncc(C#N)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350763 809372582 /nfs/dbraw/zinc/37/25/82/809372582.db2.gz YKYFDTZNPWRYAR-UHFFFAOYSA-N 1 2 296.378 3.074 20 30 CGEDLO N#Cc1ccc(O)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175352429 809374144 /nfs/dbraw/zinc/37/41/44/809374144.db2.gz OWYHZKZDYJMJQO-UHFFFAOYSA-N 1 2 280.331 3.003 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1cccc(C#N)n1 ZINC001213491825 815289954 /nfs/dbraw/zinc/28/99/54/815289954.db2.gz RQRBWKZNJYRVNA-UHFFFAOYSA-N 1 2 250.305 3.278 20 30 CGEDLO Cc1[nH+]cc(C2CC2)cc1Nc1c(N)cccc1C#N ZINC001213501305 815292035 /nfs/dbraw/zinc/29/20/35/815292035.db2.gz RWFHOGQDRRFLSO-UHFFFAOYSA-N 1 2 264.332 3.465 20 30 CGEDLO Cc1cc(C)c(Nc2nc3ncccc3cc2C#N)c[nH+]1 ZINC001213505695 815292131 /nfs/dbraw/zinc/29/21/31/815292131.db2.gz NACFUCAJTQBHRI-UHFFFAOYSA-N 1 2 275.315 3.257 20 30 CGEDLO C=C1CC=C(F)C=C1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113073 810608513 /nfs/dbraw/zinc/60/85/13/810608513.db2.gz HMQGYGMCDCGQKU-UHFFFAOYSA-N 1 2 295.317 3.299 20 30 CGEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H](CC)CCC)CC1 ZINC001197595826 811431959 /nfs/dbraw/zinc/43/19/59/811431959.db2.gz DFTCLJCPMWNDIB-CQSZACIVSA-N 1 2 286.847 3.100 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H](CC)CCC)CC1 ZINC001197595826 811431962 /nfs/dbraw/zinc/43/19/62/811431962.db2.gz DFTCLJCPMWNDIB-CQSZACIVSA-N 1 2 286.847 3.100 20 30 CGEDLO C#Cc1cc(Nc2cc(F)ccc2SC)cc[nH+]1 ZINC001215446674 815520014 /nfs/dbraw/zinc/52/00/14/815520014.db2.gz ZXQRDAZKAMSODG-UHFFFAOYSA-N 1 2 258.321 3.089 20 30 CGEDLO COc1cccc(C[N@H+](CCC#N)C2CCCC2)c1OC ZINC001203449215 812361951 /nfs/dbraw/zinc/36/19/51/812361951.db2.gz FEFPQIHPHKCZAT-UHFFFAOYSA-N 1 2 288.391 3.362 20 30 CGEDLO COc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1OC ZINC001203449215 812361959 /nfs/dbraw/zinc/36/19/59/812361959.db2.gz FEFPQIHPHKCZAT-UHFFFAOYSA-N 1 2 288.391 3.362 20 30 CGEDLO CNc1ccc(Nc2ccc([C@@H](C)C#N)cc2)c[nH+]1 ZINC001203456331 812364915 /nfs/dbraw/zinc/36/49/15/812364915.db2.gz CMAMQRIBLHDPES-NSHDSACASA-N 1 2 252.321 3.494 20 30 CGEDLO CNc1ccc(Nc2ccc([C@H](C)C#N)cc2)c[nH+]1 ZINC001203456329 812365090 /nfs/dbraw/zinc/36/50/90/812365090.db2.gz CMAMQRIBLHDPES-LLVKDONJSA-N 1 2 252.321 3.494 20 30 CGEDLO C#Cc1cc(Nc2cccnc2-c2ccccc2)cc[nH+]1 ZINC001203647312 812414298 /nfs/dbraw/zinc/41/42/98/812414298.db2.gz CWGDEEKWDRGPCG-UHFFFAOYSA-N 1 2 271.323 3.290 20 30 CGEDLO Cn1cc(Nc2ccc([NH+]3CCCCC3)cc2)c(C#N)n1 ZINC001203717624 812440567 /nfs/dbraw/zinc/44/05/67/812440567.db2.gz HRQQVCBZUROUAM-UHFFFAOYSA-N 1 2 281.363 3.026 20 30 CGEDLO CCN(C)c1ccc(Nc2ccc(C#N)c(F)c2)c[nH+]1 ZINC001204059136 812536804 /nfs/dbraw/zinc/53/68/04/812536804.db2.gz HNYUJXDXNNHVRJ-UHFFFAOYSA-N 1 2 270.311 3.292 20 30 CGEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC001204548707 812675427 /nfs/dbraw/zinc/67/54/27/812675427.db2.gz AMRCVBHNEIDFJS-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC001204548707 812675432 /nfs/dbraw/zinc/67/54/32/812675432.db2.gz AMRCVBHNEIDFJS-HNNXBMFYSA-N 1 2 299.399 3.058 20 30 CGEDLO N#CCc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC001206439805 813322420 /nfs/dbraw/zinc/32/24/20/813322420.db2.gz JKOBXPMGDHTUFZ-UHFFFAOYSA-N 1 2 286.762 3.401 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207483160 813573402 /nfs/dbraw/zinc/57/34/02/813573402.db2.gz AIYNGQZLQAJBCP-TZMCWYRMSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207483160 813573407 /nfs/dbraw/zinc/57/34/07/813573407.db2.gz AIYNGQZLQAJBCP-TZMCWYRMSA-N 1 2 298.858 3.002 20 30 CGEDLO CCCCCCC/C=C/C[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001208122995 813698100 /nfs/dbraw/zinc/69/81/00/813698100.db2.gz DJKMYEURJKDGSL-KZQNYRHTSA-N 1 2 279.424 3.050 20 30 CGEDLO CCCCCCC/C=C/C[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001208122995 813698105 /nfs/dbraw/zinc/69/81/05/813698105.db2.gz DJKMYEURJKDGSL-KZQNYRHTSA-N 1 2 279.424 3.050 20 30 CGEDLO Cc1cc(Nc2cccc(-n3cc[nH+]c3)c2)cnc1C#N ZINC001210204364 814339976 /nfs/dbraw/zinc/33/99/76/814339976.db2.gz VWGSXSBCHQYWQI-UHFFFAOYSA-N 1 2 275.315 3.191 20 30 CGEDLO COc1cc(Nc2ccc(C#N)cc2C)cc(C)[nH+]1 ZINC001210373806 814428965 /nfs/dbraw/zinc/42/89/65/814428965.db2.gz ABYXNIQFLXKTBP-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1O ZINC001210529877 814511354 /nfs/dbraw/zinc/51/13/54/814511354.db2.gz ZLPLIUJYISUJDM-UHFFFAOYSA-N 1 2 290.326 3.252 20 30 CGEDLO CCN(C)c1ccc(Nc2ccccc2C#N)c[nH+]1 ZINC001210739836 814604633 /nfs/dbraw/zinc/60/46/33/814604633.db2.gz USZXKNAMAWQOTP-UHFFFAOYSA-N 1 2 252.321 3.153 20 30 CGEDLO Cn1c[nH+]c2cc(Nc3cc(C#N)cc([N+](=O)[O-])c3)ccc21 ZINC001211329955 814880214 /nfs/dbraw/zinc/88/02/14/814880214.db2.gz JBGHKELHVWPTCG-UHFFFAOYSA-N 1 2 293.286 3.097 20 30 CGEDLO CCOc1cc[nH+]cc1Nc1cccc(C#N)c1C ZINC001216172935 815718463 /nfs/dbraw/zinc/71/84/63/815718463.db2.gz CVBKNPNOIXISSB-UHFFFAOYSA-N 1 2 253.305 3.404 20 30 CGEDLO Cc1c(C#N)cccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001216173862 815719679 /nfs/dbraw/zinc/71/96/79/815719679.db2.gz QHUUQWYQOPAAAV-UHFFFAOYSA-N 1 2 252.321 3.071 20 30 CGEDLO C#C[C@H](COc1cccc(Cl)c1)Oc1cc[nH+]cc1 ZINC001225291855 816997310 /nfs/dbraw/zinc/99/73/10/816997310.db2.gz ABWDKTLDDATXCE-CYBMUJFWSA-N 1 2 273.719 3.195 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231912744 818212954 /nfs/dbraw/zinc/21/29/54/818212954.db2.gz WICUGNOCEBVWBQ-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC001231912744 818212958 /nfs/dbraw/zinc/21/29/58/818212958.db2.gz WICUGNOCEBVWBQ-NSHDSACASA-N 1 2 264.756 3.171 20 30 CGEDLO CCc1csc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC001232473449 818362985 /nfs/dbraw/zinc/36/29/85/818362985.db2.gz ROQPVAHOCWTADT-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO CCc1csc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC001232473449 818362994 /nfs/dbraw/zinc/36/29/94/818362994.db2.gz ROQPVAHOCWTADT-UHFFFAOYSA-N 1 2 271.389 3.209 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673108 818415289 /nfs/dbraw/zinc/41/52/89/818415289.db2.gz ACUPKMSVORDJGR-CYBMUJFWSA-N 1 2 278.355 3.383 20 30 CGEDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673108 818415292 /nfs/dbraw/zinc/41/52/92/818415292.db2.gz ACUPKMSVORDJGR-CYBMUJFWSA-N 1 2 278.355 3.383 20 30 CGEDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1O ZINC001232673718 818415492 /nfs/dbraw/zinc/41/54/92/818415492.db2.gz LUKBMHUAPBFGGR-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1O ZINC001232673718 818415495 /nfs/dbraw/zinc/41/54/95/818415495.db2.gz LUKBMHUAPBFGGR-UHFFFAOYSA-N 1 2 270.307 3.035 20 30 CGEDLO C[N@H+](Cc1cc(C#N)ccc1O)Cc1cccc(F)c1F ZINC001232678355 818416772 /nfs/dbraw/zinc/41/67/72/818416772.db2.gz WIXADJMETKMLIX-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)ccc1O)Cc1cccc(F)c1F ZINC001232678355 818416776 /nfs/dbraw/zinc/41/67/76/818416776.db2.gz WIXADJMETKMLIX-UHFFFAOYSA-N 1 2 288.297 3.174 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001232903436 818470467 /nfs/dbraw/zinc/47/04/67/818470467.db2.gz KWMQGHBNYKWRKF-SFHVURJKSA-N 1 2 277.371 3.484 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001232903436 818470471 /nfs/dbraw/zinc/47/04/71/818470471.db2.gz KWMQGHBNYKWRKF-SFHVURJKSA-N 1 2 277.371 3.484 20 30 CGEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001235656285 819130185 /nfs/dbraw/zinc/13/01/85/819130185.db2.gz AXACBUSOAOQWKY-SNVBAGLBSA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001235656285 819130188 /nfs/dbraw/zinc/13/01/88/819130188.db2.gz AXACBUSOAOQWKY-SNVBAGLBSA-N 1 2 286.272 3.314 20 30 CGEDLO C=CC[N@H+](Cc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC001235701732 819147001 /nfs/dbraw/zinc/14/70/01/819147001.db2.gz RQVPYDKNCPQOEY-UHFFFAOYSA-N 1 2 261.344 3.489 20 30 CGEDLO C=CC[N@@H+](Cc1nc2ccc(F)cc2[nH]1)C(C)(C)C ZINC001235701732 819147002 /nfs/dbraw/zinc/14/70/02/819147002.db2.gz RQVPYDKNCPQOEY-UHFFFAOYSA-N 1 2 261.344 3.489 20 30 CGEDLO COc1ccc(C#N)cc1-c1ccccc1Cn1cc[nH+]c1 ZINC001236544037 819530726 /nfs/dbraw/zinc/53/07/26/819530726.db2.gz XWSJMVDCSQMBFK-UHFFFAOYSA-N 1 2 289.338 3.479 20 30 CGEDLO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccnc(C#N)c1 ZINC001237462006 819757407 /nfs/dbraw/zinc/75/74/07/819757407.db2.gz DGZZWYJFHZEPBS-UHFFFAOYSA-N 1 2 293.370 3.047 20 30 CGEDLO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccnc(C#N)c1 ZINC001237462006 819757411 /nfs/dbraw/zinc/75/74/11/819757411.db2.gz DGZZWYJFHZEPBS-UHFFFAOYSA-N 1 2 293.370 3.047 20 30 CGEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)n1 ZINC001237797629 819841415 /nfs/dbraw/zinc/84/14/15/819841415.db2.gz MUAORCNZNBLARK-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)n1 ZINC001237797629 819841422 /nfs/dbraw/zinc/84/14/22/819841422.db2.gz MUAORCNZNBLARK-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC001238085312 819928347 /nfs/dbraw/zinc/92/83/47/819928347.db2.gz AZVQMSLFCOUYAO-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC001238085312 819928351 /nfs/dbraw/zinc/92/83/51/819928351.db2.gz AZVQMSLFCOUYAO-INIZCTEOSA-N 1 2 298.777 3.339 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238653789 820071265 /nfs/dbraw/zinc/07/12/65/820071265.db2.gz PWVDNCKSTQMCBE-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCOc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238653789 820071275 /nfs/dbraw/zinc/07/12/75/820071275.db2.gz PWVDNCKSTQMCBE-GFCCVEGCSA-N 1 2 294.345 3.489 20 30 CGEDLO CCCCCCCCOC(=O)NCc1cc[nH+]c(N)c1 ZINC001239319625 820266454 /nfs/dbraw/zinc/26/64/54/820266454.db2.gz MJUOXBURXOHPSM-UHFFFAOYSA-N 1 2 279.384 3.251 20 30 CGEDLO CCCCCCCCOC(=O)N[C@H]1CC[NH2+]CC1(F)F ZINC001239320027 820267607 /nfs/dbraw/zinc/26/76/07/820267607.db2.gz BSDHMUQHYJWWLG-LBPRGKRZSA-N 1 2 292.370 3.070 20 30 CGEDLO Cc1cc(-c2ccc(C#N)c(F)c2)c2[nH+]ccn2c1 ZINC001240154960 820864039 /nfs/dbraw/zinc/86/40/39/820864039.db2.gz NQWGGZLYXAGFLP-UHFFFAOYSA-N 1 2 251.264 3.321 20 30 CGEDLO N#Cc1cc2c(cccc2-c2ccc3[nH+]ccn3c2)[nH]1 ZINC001240219882 820895278 /nfs/dbraw/zinc/89/52/78/820895278.db2.gz YSSAKZCTMUZCTM-UHFFFAOYSA-N 1 2 258.284 3.354 20 30 CGEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1cnc(C#N)c(C)c1 ZINC001242357255 822964481 /nfs/dbraw/zinc/96/44/81/822964481.db2.gz NDSRXCVYBAAVIN-UHFFFAOYSA-N 1 2 290.326 3.123 20 30 CGEDLO COc1cc2[nH+]c[nH]c2cc1-c1cc(C)cc(C#N)c1 ZINC001242479321 823006904 /nfs/dbraw/zinc/00/69/04/823006904.db2.gz YJWTWMFEOYHGDH-UHFFFAOYSA-N 1 2 263.300 3.419 20 30 CGEDLO C=C[C@H](CC(=O)OCc1c[nH+]cn1CC)c1ccccc1 ZINC001344972371 936795811 /nfs/dbraw/zinc/79/58/11/936795811.db2.gz NSKCLBHONTXHRO-CQSZACIVSA-N 1 2 284.359 3.306 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/C(=O)c2c(c(C)ccc2O)[C@H]1C ZINC001350598865 936995416 /nfs/dbraw/zinc/99/54/16/936995416.db2.gz FARVLDJIKMKKNN-DELQEKLWSA-N 1 2 282.343 3.300 20 30 CGEDLO N#Cc1ccc(F)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC001472747348 937107179 /nfs/dbraw/zinc/10/71/79/937107179.db2.gz VIJOIKYKZJHCDU-UHFFFAOYSA-N 1 2 292.317 3.495 20 30 CGEDLO N#Cc1ccc(CCNc2cc(C3(C#N)CC3)cc[nH+]2)cc1 ZINC001167678440 926824854 /nfs/dbraw/zinc/82/48/54/926824854.db2.gz HYVZNBRDUJMZJF-UHFFFAOYSA-N 1 2 288.354 3.163 20 30 CGEDLO C=CCC1(C(=O)NC2C[NH+](Cc3cccc(C)c3)C2)CCC1 ZINC001481581255 927031976 /nfs/dbraw/zinc/03/19/76/927031976.db2.gz RMIGUZRNZDRXPR-UHFFFAOYSA-N 1 2 298.430 3.042 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC(=C)Cl)[C@@H]1C ZINC001486178195 927995472 /nfs/dbraw/zinc/99/54/72/927995472.db2.gz SITFRDORLRHRHS-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)[C@@H]1C ZINC001486178195 927995477 /nfs/dbraw/zinc/99/54/77/927995477.db2.gz SITFRDORLRHRHS-KGLIPLIRSA-N 1 2 298.858 3.310 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCCC[C@@H]1C#N)CC2 ZINC001172830702 928226230 /nfs/dbraw/zinc/22/62/30/928226230.db2.gz JSBBNMOVRNLUJQ-DLBZAZTESA-N 1 2 254.377 3.230 20 30 CGEDLO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCC[C@@H]1C#N)CC2 ZINC001172830702 928226242 /nfs/dbraw/zinc/22/62/42/928226242.db2.gz JSBBNMOVRNLUJQ-DLBZAZTESA-N 1 2 254.377 3.230 20 30 CGEDLO Fc1ccc(/C=C\C=[NH+]n2cc(Br)cn2)cc1 ZINC000752744861 928828074 /nfs/dbraw/zinc/82/80/74/928828074.db2.gz FIYLWJWTZBIBOW-BMYOLEBSSA-N 1 2 294.127 3.332 20 30 CGEDLO C#CC[C@@H]1CC[N@@H+](CC(F)(F)c2ccc(F)cc2)C1 ZINC001460757888 937543793 /nfs/dbraw/zinc/54/37/93/937543793.db2.gz KEZYNHAYRWWWAD-GFCCVEGCSA-N 1 2 267.294 3.263 20 30 CGEDLO C#CC[C@@H]1CC[N@H+](CC(F)(F)c2ccc(F)cc2)C1 ZINC001460757888 937543794 /nfs/dbraw/zinc/54/37/94/937543794.db2.gz KEZYNHAYRWWWAD-GFCCVEGCSA-N 1 2 267.294 3.263 20 30 CGEDLO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001460844107 937548732 /nfs/dbraw/zinc/54/87/32/937548732.db2.gz PSMXBMLCTZNBRT-QGZVFWFLSA-N 1 2 298.365 3.456 20 30 CGEDLO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)c(F)c2)[nH]n1 ZINC001460844107 937548735 /nfs/dbraw/zinc/54/87/35/937548735.db2.gz PSMXBMLCTZNBRT-QGZVFWFLSA-N 1 2 298.365 3.456 20 30 CGEDLO C[NH+]1CC(Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229354612 932138892 /nfs/dbraw/zinc/13/88/92/932138892.db2.gz VRJNIPAEXNDJKI-VXLYETTFSA-N 1 2 284.334 3.269 20 30 CGEDLO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001461740075 937594736 /nfs/dbraw/zinc/59/47/36/937594736.db2.gz FPGJLGCIIVWLBS-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO C#CC[N@@H+](CC)Cc1ccc(Br)c(F)c1F ZINC001307512372 932964086 /nfs/dbraw/zinc/96/40/86/932964086.db2.gz CKYVBLBQUJWXJS-UHFFFAOYSA-N 1 2 288.135 3.182 20 30 CGEDLO C#CC[N@H+](CC)Cc1ccc(Br)c(F)c1F ZINC001307512372 932964094 /nfs/dbraw/zinc/96/40/94/932964094.db2.gz CKYVBLBQUJWXJS-UHFFFAOYSA-N 1 2 288.135 3.182 20 30 CGEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC001308521779 933124204 /nfs/dbraw/zinc/12/42/04/933124204.db2.gz HXAOCDPWUYBKQP-UHFFFAOYSA-N 1 2 275.714 3.036 20 30 CGEDLO Cc1ccc2[nH+]cc(CN3Cc4ccc(C#N)cc4C3)n2c1 ZINC001308837673 933186767 /nfs/dbraw/zinc/18/67/67/933186767.db2.gz JGJIRBVDMKXBHV-UHFFFAOYSA-N 1 2 288.354 3.030 20 30 CGEDLO C(=[NH+]Nc1ccccn1)c1ccc(N2CCCC2)cc1 ZINC001317826892 933656786 /nfs/dbraw/zinc/65/67/86/933656786.db2.gz FVUMLRFRKWYALZ-UHFFFAOYSA-N 1 2 266.348 3.128 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](CC)Cc1ccc(C)cc1)C(=O)OCC ZINC001320786038 934104026 /nfs/dbraw/zinc/10/40/26/934104026.db2.gz FGQZRTARFLTALL-IAGOWNOFSA-N 1 2 289.419 3.414 20 30 CGEDLO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(C)cc1)C(=O)OCC ZINC001321148567 934155833 /nfs/dbraw/zinc/15/58/33/934155833.db2.gz LIZMBWDJWIQURF-GDBMZVCRSA-N 1 2 275.392 3.023 20 30 CGEDLO N#Cc1csc(C[NH2+]Cc2cccc(C(F)F)c2)n1 ZINC001324159804 934467784 /nfs/dbraw/zinc/46/77/84/934467784.db2.gz YXFBUZXDNTVIBU-UHFFFAOYSA-N 1 2 279.315 3.242 20 30 CGEDLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](CCCC#N)CC1 ZINC001331171922 935355499 /nfs/dbraw/zinc/35/54/99/935355499.db2.gz CTUIGVWTHWVCDL-QGZVFWFLSA-N 1 2 289.398 3.198 20 30 CGEDLO C=CC[C@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OCC ZINC001331669120 935402053 /nfs/dbraw/zinc/40/20/53/935402053.db2.gz CEDUSDLVKOPFFY-HOCLYGCPSA-N 1 2 275.392 3.196 20 30 CGEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1c[nH]nc1C(C)(C)C ZINC001333875112 936073329 /nfs/dbraw/zinc/07/33/29/936073329.db2.gz FFIQHOWCQZUDIU-UHFFFAOYSA-N 1 2 288.420 3.272 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1c[nH]nc1C(C)(C)C ZINC001333875112 936073331 /nfs/dbraw/zinc/07/33/31/936073331.db2.gz FFIQHOWCQZUDIU-UHFFFAOYSA-N 1 2 288.420 3.272 20 30 CGEDLO N#CCC1(C[N@@H+]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001473904461 937828858 /nfs/dbraw/zinc/82/88/58/937828858.db2.gz YKJUJBHMIURSCV-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO N#CCC1(C[N@H+]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001473904461 937828860 /nfs/dbraw/zinc/82/88/60/937828860.db2.gz YKJUJBHMIURSCV-UHFFFAOYSA-N 1 2 262.303 3.017 20 30 CGEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)c1cc(C)cc(C)c1 ZINC001493049394 937946735 /nfs/dbraw/zinc/94/67/35/937946735.db2.gz SHMUYVKJOMQASL-UHFFFAOYSA-N 1 2 294.826 3.108 20 30 CGEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)c1cc(C)cc(C)c1 ZINC001493049394 937946736 /nfs/dbraw/zinc/94/67/36/937946736.db2.gz SHMUYVKJOMQASL-UHFFFAOYSA-N 1 2 294.826 3.108 20 30 CGEDLO C#C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(F)cc1 ZINC001535458899 938101263 /nfs/dbraw/zinc/10/12/63/938101263.db2.gz CRHYNZCLKTZJAX-INIZCTEOSA-N 1 2 296.345 3.250 20 30 CGEDLO Cc1c[nH+]c2cc(C(=O)Nc3cc(C)cc(C#N)c3)ccn12 ZINC001535893101 938102991 /nfs/dbraw/zinc/10/29/91/938102991.db2.gz NCZFFTIZRGZBSP-UHFFFAOYSA-N 1 2 290.326 3.075 20 30 CGEDLO CCc1cc(N[C@H]2Cc3ccc(C#N)cc3C2)nc(CC)[nH+]1 ZINC001559262898 938223961 /nfs/dbraw/zinc/22/39/61/938223961.db2.gz JNEFMCIGAOEWIZ-INIZCTEOSA-N 1 2 292.386 3.052 20 30 CGEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001559580844 938230031 /nfs/dbraw/zinc/23/00/31/938230031.db2.gz RDGWWBRWAHVTHR-UONOGXRCSA-N 1 2 293.411 3.047 20 30 CGEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1noc(C(C)C)n1 ZINC001559580844 938230032 /nfs/dbraw/zinc/23/00/32/938230032.db2.gz RDGWWBRWAHVTHR-UONOGXRCSA-N 1 2 293.411 3.047 20 30 CGEDLO C#C[C@@H]1COCC[N@H+]1Cc1c(C)c(C)c(C)c(C)c1C ZINC001559899376 938238449 /nfs/dbraw/zinc/23/84/49/938238449.db2.gz FIVBXQJPDQCJAA-QGZVFWFLSA-N 1 2 271.404 3.063 20 30 CGEDLO C#C[C@@H]1COCC[N@@H+]1Cc1c(C)c(C)c(C)c(C)c1C ZINC001559899376 938238450 /nfs/dbraw/zinc/23/84/50/938238450.db2.gz FIVBXQJPDQCJAA-QGZVFWFLSA-N 1 2 271.404 3.063 20 30 CGEDLO C#CC[N@@H+](Cc1cscc1C(F)(F)F)C1CSC1 ZINC001560976354 938287318 /nfs/dbraw/zinc/28/73/18/938287318.db2.gz RTHSXCOFMHPMJJ-UHFFFAOYSA-N 1 2 291.363 3.318 20 30 CGEDLO C#CC[N@H+](Cc1cscc1C(F)(F)F)C1CSC1 ZINC001560976354 938287319 /nfs/dbraw/zinc/28/73/19/938287319.db2.gz RTHSXCOFMHPMJJ-UHFFFAOYSA-N 1 2 291.363 3.318 20 30 CGEDLO Cc1c(F)cc[nH+]c1NCCc1ccc(C#N)cc1 ZINC001156837323 958829436 /nfs/dbraw/zinc/82/94/36/958829436.db2.gz FRACCTSGZYZGCA-UHFFFAOYSA-N 1 2 255.296 3.055 20 30 CGEDLO COc1c[nH+]c(NC23CCC(C#N)(CC2)CC3)c(C)c1 ZINC001158785503 958832067 /nfs/dbraw/zinc/83/20/67/958832067.db2.gz ZULICRGYDDPUCO-UHFFFAOYSA-N 1 2 271.364 3.427 20 30 CGEDLO Cn1c[nH+]cc1-c1cccc(-c2cnc(C#N)c(F)c2)c1 ZINC001238992876 960413629 /nfs/dbraw/zinc/41/36/29/960413629.db2.gz SJNUGRQXTAJXQZ-UHFFFAOYSA-N 1 2 278.290 3.160 20 30 CGEDLO C=CCC(C)(C)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001567808418 961435818 /nfs/dbraw/zinc/43/58/18/961435818.db2.gz SOQCVNDUQFPUPH-AWEZNQCLSA-N 1 2 286.419 3.150 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001567925945 961467886 /nfs/dbraw/zinc/46/78/86/961467886.db2.gz WJVAQWSDFRAOJG-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001567925945 961467892 /nfs/dbraw/zinc/46/78/92/961467892.db2.gz WJVAQWSDFRAOJG-AWEZNQCLSA-N 1 2 298.858 3.242 20 30 CGEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC001584728541 962951712 /nfs/dbraw/zinc/95/17/12/962951712.db2.gz LUUDILDEKZSVDI-SFHVURJKSA-N 1 2 294.398 3.072 20 30 CGEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC001584728541 962951718 /nfs/dbraw/zinc/95/17/18/962951718.db2.gz LUUDILDEKZSVDI-SFHVURJKSA-N 1 2 294.398 3.072 20 30 CGEDLO N#CC[N@H+](Cc1ccc2[nH]ccc2c1)C1CCCC1 ZINC000589821194 346812761 /nfs/dbraw/zinc/81/27/61/346812761.db2.gz LECDYDIZWKIFSE-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO N#CC[N@@H+](Cc1ccc2[nH]ccc2c1)C1CCCC1 ZINC000589821194 346812766 /nfs/dbraw/zinc/81/27/66/346812766.db2.gz LECDYDIZWKIFSE-UHFFFAOYSA-N 1 2 253.349 3.436 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(OC)c(OC)cc1F ZINC000651605792 398257790 /nfs/dbraw/zinc/25/77/90/398257790.db2.gz UUQCQGYADVBYMJ-UHFFFAOYSA-N 1 2 265.328 3.017 20 30 CGEDLO CCCc1nc(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000589990873 346820802 /nfs/dbraw/zinc/82/08/02/346820802.db2.gz HCBWPBLIAFVSPT-OAHLLOKOSA-N 1 2 261.369 3.061 20 30 CGEDLO CCCc1nc(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000589990873 346820804 /nfs/dbraw/zinc/82/08/04/346820804.db2.gz HCBWPBLIAFVSPT-OAHLLOKOSA-N 1 2 261.369 3.061 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1cc2ccccc2c(OC)c1 ZINC000590638911 346857978 /nfs/dbraw/zinc/85/79/78/346857978.db2.gz PYPYIKFZGNOASO-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1cc2ccccc2c(OC)c1 ZINC000590638911 346857982 /nfs/dbraw/zinc/85/79/82/346857982.db2.gz PYPYIKFZGNOASO-UHFFFAOYSA-N 1 2 298.386 3.210 20 30 CGEDLO N#Cc1ccc(C[NH+]2CC(CC(F)(F)F)C2)s1 ZINC000590969201 346891957 /nfs/dbraw/zinc/89/19/57/346891957.db2.gz INMVQBVNOKEDGR-UHFFFAOYSA-N 1 2 260.284 3.004 20 30 CGEDLO CC[C@H](C#N)Oc1cccc(CNc2cccc[nH+]2)c1 ZINC000113925477 529587750 /nfs/dbraw/zinc/58/77/50/529587750.db2.gz ZBBNCNSSIQTFHI-CQSZACIVSA-N 1 2 267.332 3.375 20 30 CGEDLO C=CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000622943532 349735238 /nfs/dbraw/zinc/73/52/38/349735238.db2.gz GPIMZQGKTBEGFS-UHFFFAOYSA-N 1 2 297.402 3.358 20 30 CGEDLO CCCOc1cc(O)ccc1[NH2+]C[C@@H](C#N)CCC#N ZINC000591774914 346935951 /nfs/dbraw/zinc/93/59/51/346935951.db2.gz UZGULQYXZWGWPN-GFCCVEGCSA-N 1 2 273.336 3.036 20 30 CGEDLO Cc1cc(N[C@H]2CCO[C@H](c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000591823099 346939908 /nfs/dbraw/zinc/93/99/08/346939908.db2.gz SXUNUYCFLYSDDZ-WMZOPIPTSA-N 1 2 293.370 3.016 20 30 CGEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000592063534 346958012 /nfs/dbraw/zinc/95/80/12/346958012.db2.gz YDMNTAUVWRFMCE-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000592063534 346958013 /nfs/dbraw/zinc/95/80/13/346958013.db2.gz YDMNTAUVWRFMCE-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1F ZINC000592105608 346963470 /nfs/dbraw/zinc/96/34/70/346963470.db2.gz SMYCXGKRNGGOKN-MRXNPFEDSA-N 1 2 287.313 3.472 20 30 CGEDLO CN(C)c1cccc(C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593120397 347042186 /nfs/dbraw/zinc/04/21/86/347042186.db2.gz PEQUZFMMZZFIDV-UHFFFAOYSA-N 1 2 277.371 3.140 20 30 CGEDLO CN(C)c1cccc(C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593120397 347042189 /nfs/dbraw/zinc/04/21/89/347042189.db2.gz PEQUZFMMZZFIDV-UHFFFAOYSA-N 1 2 277.371 3.140 20 30 CGEDLO C[N@H+](Cc1ccc(F)cc1F)Cc1ccccc1C#N ZINC000043627082 345002306 /nfs/dbraw/zinc/00/23/06/345002306.db2.gz BIOHGIOUTTYOBV-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO C[N@@H+](Cc1ccc(F)cc1F)Cc1ccccc1C#N ZINC000043627082 345002311 /nfs/dbraw/zinc/00/23/11/345002311.db2.gz BIOHGIOUTTYOBV-UHFFFAOYSA-N 1 2 272.298 3.468 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000048579658 345068114 /nfs/dbraw/zinc/06/81/14/345068114.db2.gz GLQYDDCSJJCMDZ-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000048579658 345068116 /nfs/dbraw/zinc/06/81/16/345068116.db2.gz GLQYDDCSJJCMDZ-UHFFFAOYSA-N 1 2 275.352 3.094 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000067406494 345320907 /nfs/dbraw/zinc/32/09/07/345320907.db2.gz QDYMMEZFPNUOPG-SNVBAGLBSA-N 1 2 272.270 3.019 20 30 CGEDLO C#CC[N@@H+](Cc1csc(COC)n1)C1CCCCC1 ZINC000075674004 345518185 /nfs/dbraw/zinc/51/81/85/345518185.db2.gz BFOROZUYJRHQPB-UHFFFAOYSA-N 1 2 278.421 3.057 20 30 CGEDLO C#CC[N@H+](Cc1csc(COC)n1)C1CCCCC1 ZINC000075674004 345518186 /nfs/dbraw/zinc/51/81/86/345518186.db2.gz BFOROZUYJRHQPB-UHFFFAOYSA-N 1 2 278.421 3.057 20 30 CGEDLO CC[N@@H+](Cc1ccc(OC)cc1Cl)C[C@H](C)C#N ZINC000081667553 345717184 /nfs/dbraw/zinc/71/71/84/345717184.db2.gz VGPVXNHXRJWHEE-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO CC[N@H+](Cc1ccc(OC)cc1Cl)C[C@H](C)C#N ZINC000081667553 345717187 /nfs/dbraw/zinc/71/71/87/345717187.db2.gz VGPVXNHXRJWHEE-LLVKDONJSA-N 1 2 266.772 3.330 20 30 CGEDLO N#Cc1csc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000093815794 345888257 /nfs/dbraw/zinc/88/82/57/345888257.db2.gz RQXJWRVAWIOTLM-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO N#Cc1csc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c1 ZINC000093815794 345888259 /nfs/dbraw/zinc/88/82/59/345888259.db2.gz RQXJWRVAWIOTLM-UHFFFAOYSA-N 1 2 290.338 3.456 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(OCC(C)C)cc1 ZINC000093100016 345868810 /nfs/dbraw/zinc/86/88/10/345868810.db2.gz AETRCDJVEFUUES-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(OCC(C)C)cc1 ZINC000093100016 345868812 /nfs/dbraw/zinc/86/88/12/345868812.db2.gz AETRCDJVEFUUES-UHFFFAOYSA-N 1 2 290.407 3.083 20 30 CGEDLO Cc1cccc(CCNc2nc(C)c(C#N)cc2Cl)[nH+]1 ZINC000292699025 346429340 /nfs/dbraw/zinc/42/93/40/346429340.db2.gz RWMQGPYRIRTEIH-UHFFFAOYSA-N 1 2 286.766 3.273 20 30 CGEDLO N#CC1(C[NH2+]Cc2nccn2-c2ccccc2)CCCC1 ZINC000593654538 347100806 /nfs/dbraw/zinc/10/08/06/347100806.db2.gz GINBKNGSWAUZAZ-UHFFFAOYSA-N 1 2 280.375 3.046 20 30 CGEDLO Cc1c[nH+]c(CCNc2ccc(C#N)cc2)c(C)c1 ZINC000401174633 346592184 /nfs/dbraw/zinc/59/21/84/346592184.db2.gz VGLKJPTXPUDUKZ-UHFFFAOYSA-N 1 2 251.333 3.225 20 30 CGEDLO C=CCC[C@@H]([NH2+][C@H](C)Cc1ccsc1)C(=O)OCC ZINC000562523118 346660101 /nfs/dbraw/zinc/66/01/01/346660101.db2.gz OFWMYXWMZCEAMA-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2cccs2)n1 ZINC000491672271 346629333 /nfs/dbraw/zinc/62/93/33/346629333.db2.gz OYNLKAWMNFFIBE-JTQLQIEISA-N 1 2 262.403 3.325 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2cccs2)n1 ZINC000491672271 346629336 /nfs/dbraw/zinc/62/93/36/346629336.db2.gz OYNLKAWMNFFIBE-JTQLQIEISA-N 1 2 262.403 3.325 20 30 CGEDLO COCc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000593725680 347108796 /nfs/dbraw/zinc/10/87/96/347108796.db2.gz PWTYCYZIXKRDSM-LBPRGKRZSA-N 1 2 267.332 3.273 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026171 347139600 /nfs/dbraw/zinc/13/96/00/347139600.db2.gz FCQNAULPMOLINU-OAHLLOKOSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026171 347139602 /nfs/dbraw/zinc/13/96/02/347139602.db2.gz FCQNAULPMOLINU-OAHLLOKOSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026956 347139654 /nfs/dbraw/zinc/13/96/54/347139654.db2.gz QQKMQYDJGYEPPN-QGZVFWFLSA-N 1 2 288.366 3.231 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026956 347139655 /nfs/dbraw/zinc/13/96/55/347139655.db2.gz QQKMQYDJGYEPPN-QGZVFWFLSA-N 1 2 288.366 3.231 20 30 CGEDLO Cc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc(C)c1O ZINC000594612095 347203088 /nfs/dbraw/zinc/20/30/88/347203088.db2.gz LGWPZZSHRMZRCP-UHFFFAOYSA-N 1 2 278.355 3.397 20 30 CGEDLO Cc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc(C)c1O ZINC000594612095 347203091 /nfs/dbraw/zinc/20/30/91/347203091.db2.gz LGWPZZSHRMZRCP-UHFFFAOYSA-N 1 2 278.355 3.397 20 30 CGEDLO COc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc(OC)c1 ZINC000594610309 347203341 /nfs/dbraw/zinc/20/33/41/347203341.db2.gz BAERBUAIHFXZMF-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc(OC)c1 ZINC000594610309 347203343 /nfs/dbraw/zinc/20/33/43/347203343.db2.gz BAERBUAIHFXZMF-UHFFFAOYSA-N 1 2 294.354 3.091 20 30 CGEDLO COc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC000594616066 347204836 /nfs/dbraw/zinc/20/48/36/347204836.db2.gz YKRLWSFOPQRYOW-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1C ZINC000594616066 347204840 /nfs/dbraw/zinc/20/48/40/347204840.db2.gz YKRLWSFOPQRYOW-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000594945825 347237594 /nfs/dbraw/zinc/23/75/94/347237594.db2.gz XZJLTXHSXCHZKZ-CYBMUJFWSA-N 1 2 264.319 3.375 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)CCSc1ccc(F)cc1F ZINC000595344279 347294955 /nfs/dbraw/zinc/29/49/55/347294955.db2.gz LDUXNRHWNQLVRO-JTQLQIEISA-N 1 2 270.348 3.291 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1ccc(F)cc1F ZINC000595344279 347294960 /nfs/dbraw/zinc/29/49/60/347294960.db2.gz LDUXNRHWNQLVRO-JTQLQIEISA-N 1 2 270.348 3.291 20 30 CGEDLO N#CCC[N@H+](CCCC1CCC1)Cc1ccccn1 ZINC000595342532 347295197 /nfs/dbraw/zinc/29/51/97/347295197.db2.gz MPMUMWQCAJTOES-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO N#CCC[N@@H+](CCCC1CCC1)Cc1ccccn1 ZINC000595342532 347295198 /nfs/dbraw/zinc/29/51/98/347295198.db2.gz MPMUMWQCAJTOES-UHFFFAOYSA-N 1 2 257.381 3.378 20 30 CGEDLO C[C@@H]1CCN([C@H](C#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000595391649 347298019 /nfs/dbraw/zinc/29/80/19/347298019.db2.gz OOZDOQIQKQOYCP-DJIMGWMZSA-N 1 2 280.375 3.031 20 30 CGEDLO CC[N@H+](CCCOc1ccc(Cl)cc1)[C@@H](C)C#N ZINC000595811964 347358102 /nfs/dbraw/zinc/35/81/02/347358102.db2.gz IOPKZWXBXNBULT-LBPRGKRZSA-N 1 2 266.772 3.343 20 30 CGEDLO CC[N@@H+](CCCOc1ccc(Cl)cc1)[C@@H](C)C#N ZINC000595811964 347358104 /nfs/dbraw/zinc/35/81/04/347358104.db2.gz IOPKZWXBXNBULT-LBPRGKRZSA-N 1 2 266.772 3.343 20 30 CGEDLO CC(C)c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595612653 347327654 /nfs/dbraw/zinc/32/76/54/347327654.db2.gz ZITMELKLIGXGST-GFCCVEGCSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595612653 347327660 /nfs/dbraw/zinc/32/76/60/347327660.db2.gz ZITMELKLIGXGST-GFCCVEGCSA-N 1 2 263.410 3.392 20 30 CGEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000595833281 347362757 /nfs/dbraw/zinc/36/27/57/347362757.db2.gz BVTPWEUALCEMGX-INIZCTEOSA-N 1 2 267.332 3.077 20 30 CGEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000595833281 347362759 /nfs/dbraw/zinc/36/27/59/347362759.db2.gz BVTPWEUALCEMGX-INIZCTEOSA-N 1 2 267.332 3.077 20 30 CGEDLO Cc1c(Br)cccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843158 347366039 /nfs/dbraw/zinc/36/60/39/347366039.db2.gz INRDDFXWVMDOKE-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO Cc1c(Br)cccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595843158 347366040 /nfs/dbraw/zinc/36/60/40/347366040.db2.gz INRDDFXWVMDOKE-AWEZNQCLSA-N 1 2 293.208 3.493 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595842629 347366482 /nfs/dbraw/zinc/36/64/82/347366482.db2.gz GAFZPBIQHJMBPK-CQSZACIVSA-N 1 2 282.746 3.093 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595842629 347366485 /nfs/dbraw/zinc/36/64/85/347366485.db2.gz GAFZPBIQHJMBPK-CQSZACIVSA-N 1 2 282.746 3.093 20 30 CGEDLO N#Cc1nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)sc1Cl ZINC000596154434 347391079 /nfs/dbraw/zinc/39/10/79/347391079.db2.gz MFZASFOZFDSDQL-SECBINFHSA-N 1 2 293.783 3.123 20 30 CGEDLO COc1ccc2[nH+]c(N3CCC[C@@H](CC#N)C3)ccc2c1 ZINC000596330163 347419812 /nfs/dbraw/zinc/41/98/12/347419812.db2.gz JOQWUYQMOBDUNV-ZDUSSCGKSA-N 1 2 281.359 3.373 20 30 CGEDLO CC(C)c1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597175662 347544640 /nfs/dbraw/zinc/54/46/40/347544640.db2.gz CJKOGGPMZRBHBU-GFCCVEGCSA-N 1 2 263.410 3.392 20 30 CGEDLO CC(C)c1cnc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597175662 347544643 /nfs/dbraw/zinc/54/46/43/347544643.db2.gz CJKOGGPMZRBHBU-GFCCVEGCSA-N 1 2 263.410 3.392 20 30 CGEDLO Cc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000597025533 347528943 /nfs/dbraw/zinc/52/89/43/347528943.db2.gz BUSIBHDIUHKOQV-ZWKOTPCHSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000597025533 347528945 /nfs/dbraw/zinc/52/89/45/347528945.db2.gz BUSIBHDIUHKOQV-ZWKOTPCHSA-N 1 2 294.402 3.000 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230823 347558557 /nfs/dbraw/zinc/55/85/57/347558557.db2.gz IUUPRGHTMOQDGA-KRWDZBQOSA-N 1 2 298.365 3.055 20 30 CGEDLO Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230823 347558559 /nfs/dbraw/zinc/55/85/59/347558559.db2.gz IUUPRGHTMOQDGA-KRWDZBQOSA-N 1 2 298.365 3.055 20 30 CGEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C2CCCCC2)n1 ZINC000597232970 347560066 /nfs/dbraw/zinc/56/00/66/347560066.db2.gz YPGRDBNCXOEGDT-KRWDZBQOSA-N 1 2 286.423 3.203 20 30 CGEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C2CCCCC2)n1 ZINC000597232970 347560067 /nfs/dbraw/zinc/56/00/67/347560067.db2.gz YPGRDBNCXOEGDT-KRWDZBQOSA-N 1 2 286.423 3.203 20 30 CGEDLO CCCOc1c(C[NH+]2CC(CC#N)C2)cccc1OCC ZINC000597194558 347549059 /nfs/dbraw/zinc/54/90/59/347549059.db2.gz VKTMYJWLDVHNGD-UHFFFAOYSA-N 1 2 288.391 3.220 20 30 CGEDLO COc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000599646054 347761832 /nfs/dbraw/zinc/76/18/32/347761832.db2.gz SLHHIJKHFVUSGS-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1C)C2 ZINC000599646054 347761834 /nfs/dbraw/zinc/76/18/34/347761834.db2.gz SLHHIJKHFVUSGS-UHFFFAOYSA-N 1 2 278.355 3.391 20 30 CGEDLO N#Cc1cnccc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599696760 347767559 /nfs/dbraw/zinc/76/75/59/347767559.db2.gz GZXYQAHKESBPCF-UHFFFAOYSA-N 1 2 299.324 3.400 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000600111957 347780663 /nfs/dbraw/zinc/78/06/63/347780663.db2.gz HOAOJLLLBRLYBJ-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000600111957 347780666 /nfs/dbraw/zinc/78/06/66/347780666.db2.gz HOAOJLLLBRLYBJ-QMMMGPOBSA-N 1 2 262.300 3.358 20 30 CGEDLO N#Cc1ccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)s1 ZINC000600778415 347833685 /nfs/dbraw/zinc/83/36/85/347833685.db2.gz YSUUWAJPODUUMJ-GFCCVEGCSA-N 1 2 285.372 3.273 20 30 CGEDLO C[N@H+](Cc1ccc(C(F)F)nc1)CC(C)(C)C#N ZINC000602677267 348006777 /nfs/dbraw/zinc/00/67/77/348006777.db2.gz XPEMQASTYCTATA-UHFFFAOYSA-N 1 2 253.296 3.001 20 30 CGEDLO C[N@@H+](Cc1ccc(C(F)F)nc1)CC(C)(C)C#N ZINC000602677267 348006779 /nfs/dbraw/zinc/00/67/79/348006779.db2.gz XPEMQASTYCTATA-UHFFFAOYSA-N 1 2 253.296 3.001 20 30 CGEDLO N#Cc1cccc(C[NH+]2CC(c3cccc(Cl)c3)C2)n1 ZINC000602680016 348007287 /nfs/dbraw/zinc/00/72/87/348007287.db2.gz CPPJFWRSGWGXSF-UHFFFAOYSA-N 1 2 283.762 3.206 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(=O)OC ZINC000602733487 348021113 /nfs/dbraw/zinc/02/11/13/348021113.db2.gz IOGHXOQLGAOYSK-AVGNSLFASA-N 1 2 285.453 3.004 20 30 CGEDLO Cc1nc(C2([NH2+]CC3(CC#N)CC3)CCCCCC2)no1 ZINC000602792142 348030475 /nfs/dbraw/zinc/03/04/75/348030475.db2.gz WTXHOAUMIRJOPY-UHFFFAOYSA-N 1 2 288.395 3.211 20 30 CGEDLO C[C@@H](CC#N)[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000602859911 348037173 /nfs/dbraw/zinc/03/71/73/348037173.db2.gz BGAGIWAFYIBMRZ-ZDUSSCGKSA-N 1 2 267.332 3.266 20 30 CGEDLO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602865084 348038466 /nfs/dbraw/zinc/03/84/66/348038466.db2.gz WDIAXEUGTYHWIA-STQMWFEESA-N 1 2 273.380 3.030 20 30 CGEDLO N#Cc1cccc2c1C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000602872341 348039247 /nfs/dbraw/zinc/03/92/47/348039247.db2.gz VGFOUDSMQYTHES-UHFFFAOYSA-N 1 2 290.366 3.147 20 30 CGEDLO N#Cc1cccc2c1C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000602872341 348039249 /nfs/dbraw/zinc/03/92/49/348039249.db2.gz VGFOUDSMQYTHES-UHFFFAOYSA-N 1 2 290.366 3.147 20 30 CGEDLO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[C@H]1C#N ZINC000602974022 348047715 /nfs/dbraw/zinc/04/77/15/348047715.db2.gz IVSVHBLMEPQBFG-YOEHRIQHSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H]1CCC[C@H]1C#N ZINC000602974022 348047716 /nfs/dbraw/zinc/04/77/16/348047716.db2.gz IVSVHBLMEPQBFG-YOEHRIQHSA-N 1 2 281.359 3.466 20 30 CGEDLO C[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[C@H]1C#N ZINC000602979986 348050214 /nfs/dbraw/zinc/05/02/14/348050214.db2.gz KDRQCDZSNVUKPQ-GXFFZTMASA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[C@H]1C#N ZINC000602979986 348050216 /nfs/dbraw/zinc/05/02/16/348050216.db2.gz KDRQCDZSNVUKPQ-GXFFZTMASA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602980742 348051198 /nfs/dbraw/zinc/05/11/98/348051198.db2.gz UZIDNACADOROKX-ZWNOBZJWSA-N 1 2 283.297 3.224 20 30 CGEDLO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602980742 348051200 /nfs/dbraw/zinc/05/12/00/348051200.db2.gz UZIDNACADOROKX-ZWNOBZJWSA-N 1 2 283.297 3.224 20 30 CGEDLO CC1(F)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000602992639 348053141 /nfs/dbraw/zinc/05/31/41/348053141.db2.gz BFCMXKBZXVQAKP-UHFFFAOYSA-N 1 2 250.292 3.021 20 30 CGEDLO C[C@H](CC#N)[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000609030948 348335090 /nfs/dbraw/zinc/33/50/90/348335090.db2.gz VGHYWHVFAVPRHQ-CQSZACIVSA-N 1 2 293.370 3.331 20 30 CGEDLO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)CC#N ZINC000609449263 348344448 /nfs/dbraw/zinc/34/44/48/348344448.db2.gz ROMUODZUWUMBPW-NSHDSACASA-N 1 2 286.331 3.001 20 30 CGEDLO Cc1ccc(C[N@H+](Cc2ccc(C#N)o2)C2CC2)o1 ZINC000611254243 348431950 /nfs/dbraw/zinc/43/19/50/348431950.db2.gz CLWZETNLCWSWJG-UHFFFAOYSA-N 1 2 256.305 3.217 20 30 CGEDLO Cc1ccc(C[N@@H+](Cc2ccc(C#N)o2)C2CC2)o1 ZINC000611254243 348431953 /nfs/dbraw/zinc/43/19/53/348431953.db2.gz CLWZETNLCWSWJG-UHFFFAOYSA-N 1 2 256.305 3.217 20 30 CGEDLO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000611586626 348462346 /nfs/dbraw/zinc/46/23/46/348462346.db2.gz FSXJUYXZJAPVSH-SECBINFHSA-N 1 2 275.352 3.313 20 30 CGEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1Cl ZINC000612159616 348497700 /nfs/dbraw/zinc/49/77/00/348497700.db2.gz WZIBZQQUIQQESC-HNNXBMFYSA-N 1 2 278.783 3.474 20 30 CGEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1Cl ZINC000612159616 348497702 /nfs/dbraw/zinc/49/77/02/348497702.db2.gz WZIBZQQUIQQESC-HNNXBMFYSA-N 1 2 278.783 3.474 20 30 CGEDLO CCOc1ccccc1OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164732 348499163 /nfs/dbraw/zinc/49/91/63/348499163.db2.gz FXCLSVDMHMFKNA-KRWDZBQOSA-N 1 2 288.391 3.090 20 30 CGEDLO CCOc1ccccc1OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164732 348499167 /nfs/dbraw/zinc/49/91/67/348499167.db2.gz FXCLSVDMHMFKNA-KRWDZBQOSA-N 1 2 288.391 3.090 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000612586546 348531105 /nfs/dbraw/zinc/53/11/05/348531105.db2.gz CHLGRRUWOGEZST-JTQLQIEISA-N 1 2 259.740 3.137 20 30 CGEDLO COc1ccc(-c2nc(C[NH2+]C[C@@H](C)C#N)cs2)cc1 ZINC000612586551 348531242 /nfs/dbraw/zinc/53/12/42/348531242.db2.gz DZPBGKRIBBHKHA-NSHDSACASA-N 1 2 287.388 3.068 20 30 CGEDLO COCC[N@H+](CCC#N)Cc1ccc(C2CCC2)cc1 ZINC000618749314 349152724 /nfs/dbraw/zinc/15/27/24/349152724.db2.gz FMURDYPYXUSEFE-UHFFFAOYSA-N 1 2 272.392 3.316 20 30 CGEDLO COCC[N@@H+](CCC#N)Cc1ccc(C2CCC2)cc1 ZINC000618749314 349152726 /nfs/dbraw/zinc/15/27/26/349152726.db2.gz FMURDYPYXUSEFE-UHFFFAOYSA-N 1 2 272.392 3.316 20 30 CGEDLO C=C(C)C[C@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014576 349193926 /nfs/dbraw/zinc/19/39/26/349193926.db2.gz OXKCGMUCGLMFJF-LBPRGKRZSA-N 1 2 257.337 3.184 20 30 CGEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000619073771 349201244 /nfs/dbraw/zinc/20/12/44/349201244.db2.gz TXQBBDPEORUADT-INIZCTEOSA-N 1 2 253.349 3.294 20 30 CGEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000619073771 349201247 /nfs/dbraw/zinc/20/12/47/349201247.db2.gz TXQBBDPEORUADT-INIZCTEOSA-N 1 2 253.349 3.294 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000619535224 349257835 /nfs/dbraw/zinc/25/78/35/349257835.db2.gz SZHWPLBSIFZHEH-UHFFFAOYSA-N 1 2 286.709 3.335 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000619716854 349277780 /nfs/dbraw/zinc/27/77/80/349277780.db2.gz SWHUEBYCNSMUQJ-KRWDZBQOSA-N 1 2 283.371 3.389 20 30 CGEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000619716854 349277783 /nfs/dbraw/zinc/27/77/83/349277783.db2.gz SWHUEBYCNSMUQJ-KRWDZBQOSA-N 1 2 283.371 3.389 20 30 CGEDLO Cc1[nH]c2ccc(NC(=O)c3ccc(C#N)s3)cc2[nH+]1 ZINC000359311294 233297134 /nfs/dbraw/zinc/29/71/34/233297134.db2.gz UNEQMOLVLHVZOX-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO Cc1[nH]c2cc(NC(=O)c3ccc(C#N)s3)ccc2[nH+]1 ZINC000359311294 233297135 /nfs/dbraw/zinc/29/71/35/233297135.db2.gz UNEQMOLVLHVZOX-UHFFFAOYSA-N 1 2 282.328 3.057 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1nc2cc(C)ccc2s1 ZINC000625368042 350163994 /nfs/dbraw/zinc/16/39/94/350163994.db2.gz XHGDTRDZTNJFFZ-UHFFFAOYSA-N 1 2 276.405 3.239 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1nc2cc(C)ccc2s1 ZINC000625368042 350163996 /nfs/dbraw/zinc/16/39/96/350163996.db2.gz XHGDTRDZTNJFFZ-UHFFFAOYSA-N 1 2 276.405 3.239 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000625529726 350181606 /nfs/dbraw/zinc/18/16/06/350181606.db2.gz RSXCDBBHRYYSSU-LBPRGKRZSA-N 1 2 299.349 3.115 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000625529726 350181608 /nfs/dbraw/zinc/18/16/08/350181608.db2.gz RSXCDBBHRYYSSU-LBPRGKRZSA-N 1 2 299.349 3.115 20 30 CGEDLO C=CC[C@H]1CCN(C(=O)Nc2c[nH+]c3c(C)cccn23)C1 ZINC000626613118 350323793 /nfs/dbraw/zinc/32/37/93/350323793.db2.gz DBSKMTYITATLPQ-ZDUSSCGKSA-N 1 2 284.363 3.073 20 30 CGEDLO C=CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635770133 351690488 /nfs/dbraw/zinc/69/04/88/351690488.db2.gz KHIHETRITZUXOD-LSDHHAIUSA-N 1 2 277.412 3.331 20 30 CGEDLO C=CCCC1(CNC(=O)Cc2[nH]cc(CC)[nH+]2)CCCC1 ZINC000636160686 351726965 /nfs/dbraw/zinc/72/69/65/351726965.db2.gz QTWIATKBLPKJNO-UHFFFAOYSA-N 1 2 289.423 3.157 20 30 CGEDLO Cc1cccc(CCCNc2ccc(C#N)c(C)n2)[nH+]1 ZINC000291892342 198098542 /nfs/dbraw/zinc/09/85/42/198098542.db2.gz JPTODGGFIZPCAJ-UHFFFAOYSA-N 1 2 266.348 3.010 20 30 CGEDLO Cc1cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(C#N)cc1[N+](=O)[O-] ZINC000413311241 235267797 /nfs/dbraw/zinc/26/77/97/235267797.db2.gz DRQFSEUTAQGKGY-GXFFZTMASA-N 1 2 297.318 3.089 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3c(F)cccc3C2)s1 ZINC000123807564 138370622 /nfs/dbraw/zinc/37/06/22/138370622.db2.gz WWMWGRDSIITKSJ-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)s1 ZINC000123807564 138370623 /nfs/dbraw/zinc/37/06/23/138370623.db2.gz WWMWGRDSIITKSJ-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cccnc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000436850517 237193213 /nfs/dbraw/zinc/19/32/13/237193213.db2.gz HXLCDIILAYEXKS-SHTZXODSSA-N 1 2 293.374 3.183 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000176989770 189019315 /nfs/dbraw/zinc/01/93/15/189019315.db2.gz OSHXAXMGFAHLCZ-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000176989770 189019316 /nfs/dbraw/zinc/01/93/16/189019316.db2.gz OSHXAXMGFAHLCZ-MRXNPFEDSA-N 1 2 284.384 3.193 20 30 CGEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439426291 238255000 /nfs/dbraw/zinc/25/50/00/238255000.db2.gz AWMJOPIVLGKBOD-ZDUSSCGKSA-N 1 2 252.720 3.146 20 30 CGEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439426291 238255007 /nfs/dbraw/zinc/25/50/07/238255007.db2.gz AWMJOPIVLGKBOD-ZDUSSCGKSA-N 1 2 252.720 3.146 20 30 CGEDLO Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000119426115 370675378 /nfs/dbraw/zinc/67/53/78/370675378.db2.gz ZQTSVKBUXRUVGR-GFCCVEGCSA-N 1 2 280.331 3.144 20 30 CGEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023750773 368824999 /nfs/dbraw/zinc/82/49/99/368824999.db2.gz ZMXSHEWPNZHSQR-UHFFFAOYSA-N 1 2 295.361 3.020 20 30 CGEDLO N#Cc1ccc(F)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000050911249 369443931 /nfs/dbraw/zinc/44/39/31/369443931.db2.gz NVWVMNCTAQACMJ-UHFFFAOYSA-N 1 2 252.292 3.213 20 30 CGEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000127623800 370954234 /nfs/dbraw/zinc/95/42/34/370954234.db2.gz ZLTBUYXRJHFZEA-UHFFFAOYSA-N 1 2 288.782 3.466 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000127623800 370954242 /nfs/dbraw/zinc/95/42/42/370954242.db2.gz ZLTBUYXRJHFZEA-UHFFFAOYSA-N 1 2 288.782 3.466 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000127604320 370955169 /nfs/dbraw/zinc/95/51/69/370955169.db2.gz OYXRWDGXMCQAHJ-UHFFFAOYSA-N 1 2 268.307 3.066 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000127604320 370955173 /nfs/dbraw/zinc/95/51/73/370955173.db2.gz OYXRWDGXMCQAHJ-UHFFFAOYSA-N 1 2 268.307 3.066 20 30 CGEDLO CC[N@@H+](Cc1cccc(Cl)c1F)C[C@@H](C)C#N ZINC000091984014 370086391 /nfs/dbraw/zinc/08/63/91/370086391.db2.gz KMVBOSIMUMTGIK-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO CC[N@H+](Cc1cccc(Cl)c1F)C[C@@H](C)C#N ZINC000091984014 370086396 /nfs/dbraw/zinc/08/63/96/370086396.db2.gz KMVBOSIMUMTGIK-JTQLQIEISA-N 1 2 254.736 3.461 20 30 CGEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](c2ccsc2)O1 ZINC000093768881 370158810 /nfs/dbraw/zinc/15/88/10/370158810.db2.gz KCYIKFFPAAKNIL-IAQYHMDHSA-N 1 2 288.372 3.175 20 30 CGEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](c2ccsc2)O1 ZINC000093768881 370158817 /nfs/dbraw/zinc/15/88/17/370158817.db2.gz KCYIKFFPAAKNIL-IAQYHMDHSA-N 1 2 288.372 3.175 20 30 CGEDLO C[N@@H+](CC#N)CCCCOc1cccc(C(F)(F)F)c1 ZINC000104959457 370348936 /nfs/dbraw/zinc/34/89/36/370348936.db2.gz MGCIGGOCGHETQA-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO C[N@H+](CC#N)CCCCOc1cccc(C(F)(F)F)c1 ZINC000104959457 370348942 /nfs/dbraw/zinc/34/89/42/370348942.db2.gz MGCIGGOCGHETQA-UHFFFAOYSA-N 1 2 286.297 3.320 20 30 CGEDLO CCCN(CC#N)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112630902 370437985 /nfs/dbraw/zinc/43/79/85/370437985.db2.gz PBMMRERRWQMGEG-UHFFFAOYSA-N 1 2 295.342 3.250 20 30 CGEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](CCC#N)CC(C)(C)C ZINC000157250899 372012381 /nfs/dbraw/zinc/01/23/81/372012381.db2.gz UYQHDHPEVRBJSW-GJZGRUSLSA-N 1 2 293.455 3.038 20 30 CGEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000157250899 372012387 /nfs/dbraw/zinc/01/23/87/372012387.db2.gz UYQHDHPEVRBJSW-GJZGRUSLSA-N 1 2 293.455 3.038 20 30 CGEDLO C=CCCCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425259695 372118494 /nfs/dbraw/zinc/11/84/94/372118494.db2.gz VNKOUENYBYXHJJ-INIZCTEOSA-N 1 2 297.402 3.404 20 30 CGEDLO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@H]1c1cccnc1 ZINC000292814329 372216907 /nfs/dbraw/zinc/21/69/07/372216907.db2.gz PCVFWDAKZTZVDT-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1cccnc1 ZINC000292814329 372216913 /nfs/dbraw/zinc/21/69/13/372216913.db2.gz PCVFWDAKZTZVDT-HNNXBMFYSA-N 1 2 267.332 3.129 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC000292668680 372199241 /nfs/dbraw/zinc/19/92/41/372199241.db2.gz QFZZQIFATJMUSR-UHFFFAOYSA-N 1 2 296.436 3.498 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1nc(C(=O)OCC)cs1 ZINC000292668680 372199248 /nfs/dbraw/zinc/19/92/48/372199248.db2.gz QFZZQIFATJMUSR-UHFFFAOYSA-N 1 2 296.436 3.498 20 30 CGEDLO CC#CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428772370 372262719 /nfs/dbraw/zinc/26/27/19/372262719.db2.gz LZFVTULRWXULMT-DOMZBBRYSA-N 1 2 297.320 3.491 20 30 CGEDLO CC#CC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428772370 372262724 /nfs/dbraw/zinc/26/27/24/372262724.db2.gz LZFVTULRWXULMT-DOMZBBRYSA-N 1 2 297.320 3.491 20 30 CGEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000437568821 372851683 /nfs/dbraw/zinc/85/16/83/372851683.db2.gz OCAWUYFMAPBUTJ-QGZVFWFLSA-N 1 2 299.374 3.040 20 30 CGEDLO CC[C@@]1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000442882199 373116034 /nfs/dbraw/zinc/11/60/34/373116034.db2.gz CKJCYHKZJZSDGU-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO CC[C@@]1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000442882199 373116039 /nfs/dbraw/zinc/11/60/39/373116039.db2.gz CKJCYHKZJZSDGU-INIZCTEOSA-N 1 2 277.795 3.192 20 30 CGEDLO C=CCC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccco1 ZINC000296638043 373203563 /nfs/dbraw/zinc/20/35/63/373203563.db2.gz XXNKOYSBRUOXTH-LBPRGKRZSA-N 1 2 274.368 3.318 20 30 CGEDLO N#C[C@H]1CCC[C@@H](Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000446754952 373356916 /nfs/dbraw/zinc/35/69/16/373356916.db2.gz YBAJOSFFNYUAIG-GXTWGEPZSA-N 1 2 255.365 3.455 20 30 CGEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447403947 373435124 /nfs/dbraw/zinc/43/51/24/373435124.db2.gz HUMCBJNXJNTIBI-UHFFFAOYSA-N 1 2 299.393 3.330 20 30 CGEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447403947 373435132 /nfs/dbraw/zinc/43/51/32/373435132.db2.gz HUMCBJNXJNTIBI-UHFFFAOYSA-N 1 2 299.393 3.330 20 30 CGEDLO CCC[C@H](C)C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448270450 373558473 /nfs/dbraw/zinc/55/84/73/373558473.db2.gz FLHFYGHPZOCHHW-JYJNAYRXSA-N 1 2 264.413 3.350 20 30 CGEDLO CCC[C@H](C)C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448270450 373558484 /nfs/dbraw/zinc/55/84/84/373558484.db2.gz FLHFYGHPZOCHHW-JYJNAYRXSA-N 1 2 264.413 3.350 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@H+](CCC#N)CC1CC1 ZINC000176252856 373572300 /nfs/dbraw/zinc/57/23/00/373572300.db2.gz RWESBBCZMITLPR-UHFFFAOYSA-N 1 2 280.375 3.064 20 30 CGEDLO Cc1nc2ccccc2nc1C[N@@H+](CCC#N)CC1CC1 ZINC000176252856 373572305 /nfs/dbraw/zinc/57/23/05/373572305.db2.gz RWESBBCZMITLPR-UHFFFAOYSA-N 1 2 280.375 3.064 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)CCc1c(F)cccc1Cl ZINC000177369574 373678548 /nfs/dbraw/zinc/67/85/48/373678548.db2.gz ZYNPUVRFJNXVKS-SNVBAGLBSA-N 1 2 254.736 3.256 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)CCc1c(F)cccc1Cl ZINC000177369574 373678558 /nfs/dbraw/zinc/67/85/58/373678558.db2.gz ZYNPUVRFJNXVKS-SNVBAGLBSA-N 1 2 254.736 3.256 20 30 CGEDLO N#Cc1ccc([N+](=O)[O-])c(Sc2[nH+]cc3ccccn32)c1 ZINC000302217832 373830734 /nfs/dbraw/zinc/83/07/34/373830734.db2.gz QFPYIPUJOFOUNV-UHFFFAOYSA-N 1 2 296.311 3.265 20 30 CGEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CC1(C#N)CCC1 ZINC000450643251 374166460 /nfs/dbraw/zinc/16/64/60/374166460.db2.gz QUPLZSGGGJBZFE-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CC1(C#N)CCC1 ZINC000450643251 374166463 /nfs/dbraw/zinc/16/64/63/374166463.db2.gz QUPLZSGGGJBZFE-HOCLYGCPSA-N 1 2 270.376 3.142 20 30 CGEDLO CC(C)OC(=O)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000453324467 374420119 /nfs/dbraw/zinc/42/01/19/374420119.db2.gz VZLZJHYUIRRSJD-CJNGLKHVSA-N 1 2 288.391 3.185 20 30 CGEDLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)cc1F ZINC000453350976 374440348 /nfs/dbraw/zinc/44/03/48/374440348.db2.gz KIEXTNYCZWYEQA-SNVBAGLBSA-N 1 2 285.322 3.414 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000330463046 374467422 /nfs/dbraw/zinc/46/74/22/374467422.db2.gz ZJLCOXYBZWAFLU-GRYCIOLGSA-N 1 2 294.424 3.008 20 30 CGEDLO CCS[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)n1 ZINC000330463046 374467430 /nfs/dbraw/zinc/46/74/30/374467430.db2.gz ZJLCOXYBZWAFLU-GRYCIOLGSA-N 1 2 294.424 3.008 20 30 CGEDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC000184350459 374515331 /nfs/dbraw/zinc/51/53/31/374515331.db2.gz QXEZVQNUSYJMGR-UHFFFAOYSA-N 1 2 294.420 3.173 20 30 CGEDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC000184350459 374515337 /nfs/dbraw/zinc/51/53/37/374515337.db2.gz QXEZVQNUSYJMGR-UHFFFAOYSA-N 1 2 294.420 3.173 20 30 CGEDLO COc1cccc2c1[nH+]c(NCc1ccc(C#N)s1)n2C ZINC000184791571 374560902 /nfs/dbraw/zinc/56/09/02/374560902.db2.gz ROWVIKHUBNDBAZ-UHFFFAOYSA-N 1 2 298.371 3.127 20 30 CGEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C2CC2)O1 ZINC000470921613 375000432 /nfs/dbraw/zinc/00/04/32/375000432.db2.gz ZRZLVXYIZXSARD-GUYCJALGSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H](C2CC2)O1 ZINC000470921613 375000440 /nfs/dbraw/zinc/00/04/40/375000440.db2.gz ZRZLVXYIZXSARD-GUYCJALGSA-N 1 2 289.806 3.191 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccn1 ZINC000187470089 375027408 /nfs/dbraw/zinc/02/74/08/375027408.db2.gz VMTLYFYPHRVHQW-NSHDSACASA-N 1 2 271.751 3.457 20 30 CGEDLO Cc1ccc2[nH]c(C[N@@H+](C)C[C@@H](C)C#N)cc2c1C ZINC000473143900 375046141 /nfs/dbraw/zinc/04/61/41/375046141.db2.gz NNNHVHDYXZHHPR-NSHDSACASA-N 1 2 255.365 3.376 20 30 CGEDLO Cc1ccc2[nH]c(C[N@H+](C)C[C@@H](C)C#N)cc2c1C ZINC000473143900 375046148 /nfs/dbraw/zinc/04/61/48/375046148.db2.gz NNNHVHDYXZHHPR-NSHDSACASA-N 1 2 255.365 3.376 20 30 CGEDLO Fc1cc(F)c2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000483948456 375185599 /nfs/dbraw/zinc/18/55/99/375185599.db2.gz YRRWTHZLHUBWBM-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1cc(F)c2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000483948456 375185604 /nfs/dbraw/zinc/18/56/04/375185604.db2.gz YRRWTHZLHUBWBM-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCC#N ZINC000487948103 375288070 /nfs/dbraw/zinc/28/80/70/375288070.db2.gz MBVNONZPVJJFGF-JTQLQIEISA-N 1 2 254.280 3.194 20 30 CGEDLO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCC#N ZINC000487948103 375288074 /nfs/dbraw/zinc/28/80/74/375288074.db2.gz MBVNONZPVJJFGF-JTQLQIEISA-N 1 2 254.280 3.194 20 30 CGEDLO C[C@H](C#N)C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488301636 375306517 /nfs/dbraw/zinc/30/65/17/375306517.db2.gz RDYMPHSVAGFZEZ-LLVKDONJSA-N 1 2 271.339 3.431 20 30 CGEDLO C[C@H](C#N)C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488301636 375306532 /nfs/dbraw/zinc/30/65/32/375306532.db2.gz RDYMPHSVAGFZEZ-LLVKDONJSA-N 1 2 271.339 3.431 20 30 CGEDLO Cc1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)ccc1C#N ZINC000335822281 375459891 /nfs/dbraw/zinc/45/98/91/375459891.db2.gz TZUHPYMEQXCSGU-INIZCTEOSA-N 1 2 280.375 3.317 20 30 CGEDLO Cc1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)ccc1C#N ZINC000335822281 375459893 /nfs/dbraw/zinc/45/98/93/375459893.db2.gz TZUHPYMEQXCSGU-INIZCTEOSA-N 1 2 280.375 3.317 20 30 CGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000335900847 375524909 /nfs/dbraw/zinc/52/49/09/375524909.db2.gz LLMKMHPAXNHDBG-OAHLLOKOSA-N 1 2 280.375 3.014 20 30 CGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000335900847 375524917 /nfs/dbraw/zinc/52/49/17/375524917.db2.gz LLMKMHPAXNHDBG-OAHLLOKOSA-N 1 2 280.375 3.014 20 30 CGEDLO C=CC[N@@H+](CCOC)Cc1sc(C)nc1C(F)(F)F ZINC000191083100 375573964 /nfs/dbraw/zinc/57/39/64/375573964.db2.gz XSPTYEXLSYPBJI-UHFFFAOYSA-N 1 2 294.342 3.105 20 30 CGEDLO C=CC[N@H+](CCOC)Cc1sc(C)nc1C(F)(F)F ZINC000191083100 375573970 /nfs/dbraw/zinc/57/39/70/375573970.db2.gz XSPTYEXLSYPBJI-UHFFFAOYSA-N 1 2 294.342 3.105 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000502505886 375645977 /nfs/dbraw/zinc/64/59/77/375645977.db2.gz HBQBIXQWJLVASL-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000502505886 375645982 /nfs/dbraw/zinc/64/59/82/375645982.db2.gz HBQBIXQWJLVASL-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO N#CCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000336073141 375663546 /nfs/dbraw/zinc/66/35/46/375663546.db2.gz WHJSSUJUABLJLK-UHFFFAOYSA-N 1 2 282.347 3.463 20 30 CGEDLO CCc1cnc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192054270 375694442 /nfs/dbraw/zinc/69/44/42/375694442.db2.gz HCQNLEZXONKCJJ-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO CCc1cnc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192054270 375694454 /nfs/dbraw/zinc/69/44/54/375694454.db2.gz HCQNLEZXONKCJJ-UHFFFAOYSA-N 1 2 289.379 3.348 20 30 CGEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000192227105 375713713 /nfs/dbraw/zinc/71/37/13/375713713.db2.gz VIXINJSJZIHCOE-KBPBESRZSA-N 1 2 272.392 3.092 20 30 CGEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000192227105 375713718 /nfs/dbraw/zinc/71/37/18/375713718.db2.gz VIXINJSJZIHCOE-KBPBESRZSA-N 1 2 272.392 3.092 20 30 CGEDLO CC[N@@H+](Cc1conc1Cc1ccccc1)C[C@@H](C)C#N ZINC000507583950 375715529 /nfs/dbraw/zinc/71/55/29/375715529.db2.gz QBYGJQZFQKRMNS-AWEZNQCLSA-N 1 2 283.375 3.247 20 30 CGEDLO CC[N@H+](Cc1conc1Cc1ccccc1)C[C@@H](C)C#N ZINC000507583950 375715538 /nfs/dbraw/zinc/71/55/38/375715538.db2.gz QBYGJQZFQKRMNS-AWEZNQCLSA-N 1 2 283.375 3.247 20 30 CGEDLO Cc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000512151829 375794410 /nfs/dbraw/zinc/79/44/10/375794410.db2.gz HPAJJWKQJWXUMI-UHFFFAOYSA-N 1 2 295.357 3.380 20 30 CGEDLO Cc1ccc2c(c1)C[N@H+](CC#Cc1ccc(F)cc1)CCO2 ZINC000512151829 375794415 /nfs/dbraw/zinc/79/44/15/375794415.db2.gz HPAJJWKQJWXUMI-UHFFFAOYSA-N 1 2 295.357 3.380 20 30 CGEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC000336603913 375867537 /nfs/dbraw/zinc/86/75/37/375867537.db2.gz AJBGVXHCPJFJSP-JTQLQIEISA-N 1 2 268.282 3.174 20 30 CGEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCC1(F)F ZINC000336603913 375867543 /nfs/dbraw/zinc/86/75/43/375867543.db2.gz AJBGVXHCPJFJSP-JTQLQIEISA-N 1 2 268.282 3.174 20 30 CGEDLO CC[N@@H+](Cc1cnc2ccccc2c1)C[C@H](C)C#N ZINC000336805068 375955231 /nfs/dbraw/zinc/95/52/31/375955231.db2.gz ROIOCEARLAHPCV-CYBMUJFWSA-N 1 2 253.349 3.216 20 30 CGEDLO CC[N@H+](Cc1cnc2ccccc2c1)C[C@H](C)C#N ZINC000336805068 375955236 /nfs/dbraw/zinc/95/52/36/375955236.db2.gz ROIOCEARLAHPCV-CYBMUJFWSA-N 1 2 253.349 3.216 20 30 CGEDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000220949825 376210749 /nfs/dbraw/zinc/21/07/49/376210749.db2.gz NNSRZGFHJBHPRP-NWDGAFQWSA-N 1 2 255.321 3.267 20 30 CGEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccncc1F ZINC000338338200 376338834 /nfs/dbraw/zinc/33/88/34/376338834.db2.gz BPKCCMGWXUOYJN-SNVBAGLBSA-N 1 2 273.286 3.082 20 30 CGEDLO CC1(C)C[NH+](Cc2cccc(C#N)c2F)CC(C)(C)O1 ZINC000227306682 376388282 /nfs/dbraw/zinc/38/82/82/376388282.db2.gz DVYXFXHYVLSVDO-UHFFFAOYSA-N 1 2 276.355 3.087 20 30 CGEDLO N#Cc1cc(F)ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000338637321 376457066 /nfs/dbraw/zinc/45/70/66/376457066.db2.gz TVYQVDZTVKIVOQ-UHFFFAOYSA-N 1 2 280.306 3.228 20 30 CGEDLO C=C1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000264508343 190114935 /nfs/dbraw/zinc/11/49/35/190114935.db2.gz XEBPDGODKMQNAD-UHFFFAOYSA-N 1 2 271.389 3.357 20 30 CGEDLO C=CCCCCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555377790 376855921 /nfs/dbraw/zinc/85/59/21/376855921.db2.gz XIHGMFQLEDYSOU-UHFFFAOYSA-N 1 2 278.352 3.479 20 30 CGEDLO C=CCCCCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555377790 376855925 /nfs/dbraw/zinc/85/59/25/376855925.db2.gz XIHGMFQLEDYSOU-UHFFFAOYSA-N 1 2 278.352 3.479 20 30 CGEDLO C=CCCCC[N@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000562534510 377327420 /nfs/dbraw/zinc/32/74/20/377327420.db2.gz FBIGDFMHZTWUAZ-ZDUSSCGKSA-N 1 2 266.410 3.181 20 30 CGEDLO C=CCCCC[N@@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000562534510 377327424 /nfs/dbraw/zinc/32/74/24/377327424.db2.gz FBIGDFMHZTWUAZ-ZDUSSCGKSA-N 1 2 266.410 3.181 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnc(OC)c(Cl)c1 ZINC000562353919 377299029 /nfs/dbraw/zinc/29/90/29/377299029.db2.gz FVMSZSSKAMNZCJ-LBPRGKRZSA-N 1 2 266.772 3.284 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(OC)c(Cl)c1 ZINC000562353919 377299038 /nfs/dbraw/zinc/29/90/38/377299038.db2.gz FVMSZSSKAMNZCJ-LBPRGKRZSA-N 1 2 266.772 3.284 20 30 CGEDLO COc1c(C)c[nH+]c(COc2ccc(C#N)c(F)c2)c1C ZINC000083794750 249007152 /nfs/dbraw/zinc/00/71/52/249007152.db2.gz PUSCHKKBOFRATA-UHFFFAOYSA-N 1 2 286.306 3.297 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@H+](CC)C[C@H](C)C#N)C1CCCCC1 ZINC000249889300 377540559 /nfs/dbraw/zinc/54/05/59/377540559.db2.gz QDJKKNXVPUMFBG-HUUCEWRRSA-N 1 2 293.455 3.038 20 30 CGEDLO CCN(C(=O)[C@@H](C)[N@@H+](CC)C[C@H](C)C#N)C1CCCCC1 ZINC000249889300 377540568 /nfs/dbraw/zinc/54/05/68/377540568.db2.gz QDJKKNXVPUMFBG-HUUCEWRRSA-N 1 2 293.455 3.038 20 30 CGEDLO CCC(CC)(C/[NH+]=C/c1ccc(O)c(O)c1O)SC ZINC000266347734 378019560 /nfs/dbraw/zinc/01/95/60/378019560.db2.gz OOPGELAKIWEWTJ-OVCLIPMQSA-N 1 2 283.393 3.144 20 30 CGEDLO CS[C@H]1CCC[C@H](/[NH+]=C/c2cccc(O)c2O)C1 ZINC000265286570 378001145 /nfs/dbraw/zinc/00/11/45/378001145.db2.gz GTHNVDBWBZSXTI-GYBNWTSNSA-N 1 2 265.378 3.191 20 30 CGEDLO Cc1c[nH+]ccc1CCNc1snc(Cl)c1C#N ZINC000270027866 378297037 /nfs/dbraw/zinc/29/70/37/378297037.db2.gz XQGOBIKUIVVQDK-UHFFFAOYSA-N 1 2 278.768 3.026 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270357095 378340500 /nfs/dbraw/zinc/34/05/00/378340500.db2.gz XECOLAPIACYEMD-ZANVPECISA-N 1 2 287.190 3.118 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000270357095 378340503 /nfs/dbraw/zinc/34/05/03/378340503.db2.gz XECOLAPIACYEMD-ZANVPECISA-N 1 2 287.190 3.118 20 30 CGEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OC(F)F ZINC000271119139 378455794 /nfs/dbraw/zinc/45/57/94/378455794.db2.gz GVKBWZLOHDFXJU-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OC(F)F ZINC000271119139 378455800 /nfs/dbraw/zinc/45/58/00/378455800.db2.gz GVKBWZLOHDFXJU-LLVKDONJSA-N 1 2 298.333 3.278 20 30 CGEDLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C#N)cc1F ZINC000346521225 378601606 /nfs/dbraw/zinc/60/16/06/378601606.db2.gz BTSMLQQZVMJDGM-IAQYHMDHSA-N 1 2 288.322 3.065 20 30 CGEDLO C=CCOCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000348051696 378768517 /nfs/dbraw/zinc/76/85/17/378768517.db2.gz MCSREOWYMCTPEU-UHFFFAOYSA-N 1 2 269.335 3.346 20 30 CGEDLO C=CCOCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000348051696 378768526 /nfs/dbraw/zinc/76/85/26/378768526.db2.gz MCSREOWYMCTPEU-UHFFFAOYSA-N 1 2 269.335 3.346 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccns1 ZINC000639161160 379079500 /nfs/dbraw/zinc/07/95/00/379079500.db2.gz AFAKIKWFRQTBNA-UHFFFAOYSA-N 1 2 290.436 3.499 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccns1 ZINC000639161160 379079503 /nfs/dbraw/zinc/07/95/03/379079503.db2.gz AFAKIKWFRQTBNA-UHFFFAOYSA-N 1 2 290.436 3.499 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)s1 ZINC000374303631 379415196 /nfs/dbraw/zinc/41/51/96/379415196.db2.gz WDZPVCRCQHYSPG-LBPRGKRZSA-N 1 2 275.402 3.413 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)s1 ZINC000374303631 379415202 /nfs/dbraw/zinc/41/52/02/379415202.db2.gz WDZPVCRCQHYSPG-LBPRGKRZSA-N 1 2 275.402 3.413 20 30 CGEDLO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000639842466 379606767 /nfs/dbraw/zinc/60/67/67/379606767.db2.gz FKUVMHYIBUWXPW-MRXNPFEDSA-N 1 2 297.789 3.319 20 30 CGEDLO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000639842466 379606776 /nfs/dbraw/zinc/60/67/76/379606776.db2.gz FKUVMHYIBUWXPW-MRXNPFEDSA-N 1 2 297.789 3.319 20 30 CGEDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000640030351 379695614 /nfs/dbraw/zinc/69/56/14/379695614.db2.gz SWOXNLPOPYWDHA-HZPDHXFCSA-N 1 2 270.376 3.192 20 30 CGEDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000640030351 379695618 /nfs/dbraw/zinc/69/56/18/379695618.db2.gz SWOXNLPOPYWDHA-HZPDHXFCSA-N 1 2 270.376 3.192 20 30 CGEDLO C=CCCN(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640175161 379739405 /nfs/dbraw/zinc/73/94/05/379739405.db2.gz ZKPLTEBTBSLBNZ-UHFFFAOYSA-N 1 2 298.390 3.341 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000280811089 379796113 /nfs/dbraw/zinc/79/61/13/379796113.db2.gz UHAZSTWOVGHLBT-WFASDCNBSA-N 1 2 281.783 3.116 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000352466898 379828207 /nfs/dbraw/zinc/82/82/07/379828207.db2.gz HLZSJVWYPBHOEK-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1F ZINC000352829287 379988134 /nfs/dbraw/zinc/98/81/34/379988134.db2.gz AEGXRQWSNBETAK-VIFPVBQESA-N 1 2 291.351 3.013 20 30 CGEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cnccn1 ZINC000352953619 380055179 /nfs/dbraw/zinc/05/51/79/380055179.db2.gz RJOCRIQTUQFSHY-OAHLLOKOSA-N 1 2 299.422 3.393 20 30 CGEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1cnccn1 ZINC000352953619 380055180 /nfs/dbraw/zinc/05/51/80/380055180.db2.gz RJOCRIQTUQFSHY-OAHLLOKOSA-N 1 2 299.422 3.393 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1conc1Cc1ccccc1 ZINC000352916929 380038000 /nfs/dbraw/zinc/03/80/00/380038000.db2.gz UDZJEDOCHUDTKE-HNNXBMFYSA-N 1 2 269.348 3.047 20 30 CGEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cnccn1 ZINC000411190586 380134088 /nfs/dbraw/zinc/13/40/88/380134088.db2.gz HWNDLBUFUPOZPS-ZDUSSCGKSA-N 1 2 298.346 3.134 20 30 CGEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cnccn1 ZINC000411190586 380134097 /nfs/dbraw/zinc/13/40/97/380134097.db2.gz HWNDLBUFUPOZPS-ZDUSSCGKSA-N 1 2 298.346 3.134 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000414405063 380225223 /nfs/dbraw/zinc/22/52/23/380225223.db2.gz ISGQXIMUGAJPCO-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nn1 ZINC000414405063 380225228 /nfs/dbraw/zinc/22/52/28/380225228.db2.gz ISGQXIMUGAJPCO-ROUUACIJSA-N 1 2 292.386 3.057 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000414440161 380238016 /nfs/dbraw/zinc/23/80/16/380238016.db2.gz XYDPPZVGMSZHRV-HNNXBMFYSA-N 1 2 286.354 3.102 20 30 CGEDLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(C#N)c(C)n1 ZINC000418973662 380755905 /nfs/dbraw/zinc/75/59/05/380755905.db2.gz PFZHTGKKNOOPKB-UHFFFAOYSA-N 1 2 268.364 3.192 20 30 CGEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cncc(F)c1 ZINC000361127927 381654204 /nfs/dbraw/zinc/65/42/04/381654204.db2.gz BSDRLMFVWZUYRL-JTQLQIEISA-N 1 2 273.286 3.082 20 30 CGEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631929 285003550 /nfs/dbraw/zinc/00/35/50/285003550.db2.gz XXBYIOAKLBLPEC-NWDGAFQWSA-N 1 2 261.325 3.137 20 30 CGEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343631929 285003552 /nfs/dbraw/zinc/00/35/52/285003552.db2.gz XXBYIOAKLBLPEC-NWDGAFQWSA-N 1 2 261.325 3.137 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335247753 208021672 /nfs/dbraw/zinc/02/16/72/208021672.db2.gz HZQMMWBXFFJIFP-QZTJIDSGSA-N 1 2 296.345 3.005 20 30 CGEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335247753 208021678 /nfs/dbraw/zinc/02/16/78/208021678.db2.gz HZQMMWBXFFJIFP-QZTJIDSGSA-N 1 2 296.345 3.005 20 30 CGEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000356053631 533204282 /nfs/dbraw/zinc/20/42/82/533204282.db2.gz AMUUGNAGNUOOKW-OAHLLOKOSA-N 1 2 299.399 3.360 20 30 CGEDLO Cc1ccc2[nH+]c(CNc3c(F)cc(C#N)cc3F)cn2c1 ZINC000354680431 220880446 /nfs/dbraw/zinc/88/04/46/220880446.db2.gz AKBRFVLGIWZZRE-UHFFFAOYSA-N 1 2 298.296 3.405 20 30 CGEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000356053631 533204280 /nfs/dbraw/zinc/20/42/80/533204280.db2.gz AMUUGNAGNUOOKW-OAHLLOKOSA-N 1 2 299.399 3.360 20 30 CGEDLO CC(C)CN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)C(C)C ZINC000111250591 262258113 /nfs/dbraw/zinc/25/81/13/262258113.db2.gz BJDFJOSCYOVOLW-UHFFFAOYSA-N 1 2 295.471 3.141 20 30 CGEDLO CC(C)CN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)C(C)C ZINC000111250591 262258116 /nfs/dbraw/zinc/25/81/16/262258116.db2.gz BJDFJOSCYOVOLW-UHFFFAOYSA-N 1 2 295.471 3.141 20 30 CGEDLO COC(=O)[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1C ZINC000352265058 533330453 /nfs/dbraw/zinc/33/04/53/533330453.db2.gz VIXUVHSOWBMODH-OAHLLOKOSA-N 1 2 288.391 3.129 20 30 CGEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)o1 ZINC000191611569 130263867 /nfs/dbraw/zinc/26/38/67/130263867.db2.gz XQGSEVWUNJHCMW-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO N#Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)o1 ZINC000191611569 130263869 /nfs/dbraw/zinc/26/38/69/130263869.db2.gz XQGSEVWUNJHCMW-UHFFFAOYSA-N 1 2 272.735 3.363 20 30 CGEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OC(C)C ZINC000093090494 392234934 /nfs/dbraw/zinc/23/49/34/392234934.db2.gz XGTHEAGIDNXGMW-CYBMUJFWSA-N 1 2 276.380 3.216 20 30 CGEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OC(C)C ZINC000093090494 392234938 /nfs/dbraw/zinc/23/49/38/392234938.db2.gz XGTHEAGIDNXGMW-CYBMUJFWSA-N 1 2 276.380 3.216 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093938829 392240589 /nfs/dbraw/zinc/24/05/89/392240589.db2.gz LKAOAUGVEWCOJJ-SECBINFHSA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000093938829 392240595 /nfs/dbraw/zinc/24/05/95/392240595.db2.gz LKAOAUGVEWCOJJ-SECBINFHSA-N 1 2 285.160 3.180 20 30 CGEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093091077 392233977 /nfs/dbraw/zinc/23/39/77/392233977.db2.gz VMHBIXBMWVFACA-CYBMUJFWSA-N 1 2 282.347 3.003 20 30 CGEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093091077 392233983 /nfs/dbraw/zinc/23/39/83/392233983.db2.gz VMHBIXBMWVFACA-CYBMUJFWSA-N 1 2 282.347 3.003 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000093091004 392234034 /nfs/dbraw/zinc/23/40/34/392234034.db2.gz AFMBLXLCHAAYCV-VIFPVBQESA-N 1 2 274.336 3.469 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000093091004 392234040 /nfs/dbraw/zinc/23/40/40/392234040.db2.gz AFMBLXLCHAAYCV-VIFPVBQESA-N 1 2 274.336 3.469 20 30 CGEDLO COc1ccc(O)c(/C=[NH+]/C[C@]2(C)CCCS2)c1 ZINC000121019315 392406448 /nfs/dbraw/zinc/40/64/48/392406448.db2.gz HFMGQLGLYSMEBU-AHSSXEFNSA-N 1 2 265.378 3.105 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192054683 392838384 /nfs/dbraw/zinc/83/83/84/392838384.db2.gz RWTQCJAWZHTNNU-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192054683 392838389 /nfs/dbraw/zinc/83/83/89/392838389.db2.gz RWTQCJAWZHTNNU-UHFFFAOYSA-N 1 2 273.355 3.459 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338329420 392908163 /nfs/dbraw/zinc/90/81/63/392908163.db2.gz OVHOTPCBLVRZBB-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338329420 392908173 /nfs/dbraw/zinc/90/81/73/392908173.db2.gz OVHOTPCBLVRZBB-UHFFFAOYSA-N 1 2 282.318 3.092 20 30 CGEDLO C=CCCCCC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000519683080 392882291 /nfs/dbraw/zinc/88/22/91/392882291.db2.gz OYZKOPVSJCSISX-UHFFFAOYSA-N 1 2 271.368 3.129 20 30 CGEDLO N#Cc1cccc(C[N@@H+]2CCc3sccc3C2)c1F ZINC000219510286 393002720 /nfs/dbraw/zinc/00/27/20/393002720.db2.gz MNGFGKCBTANFRU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO N#Cc1cccc(C[N@H+]2CCc3sccc3C2)c1F ZINC000219510286 393002726 /nfs/dbraw/zinc/00/27/26/393002726.db2.gz MNGFGKCBTANFRU-UHFFFAOYSA-N 1 2 272.348 3.317 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC1(C#N)CC1 ZINC000343160299 393019410 /nfs/dbraw/zinc/01/94/10/393019410.db2.gz LSSDYOREPWSOLK-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC1(C#N)CC1 ZINC000343160299 393019415 /nfs/dbraw/zinc/01/94/15/393019415.db2.gz LSSDYOREPWSOLK-JTQLQIEISA-N 1 2 250.292 3.261 20 30 CGEDLO COCC1(C#N)CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000343146948 393019598 /nfs/dbraw/zinc/01/95/98/393019598.db2.gz HPVFBMYBONZBIE-UHFFFAOYSA-N 1 2 299.349 3.130 20 30 CGEDLO Cc1ccccc1-n1nccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348677884 393127403 /nfs/dbraw/zinc/12/74/03/393127403.db2.gz WMGNZJWBCYGPNI-UHFFFAOYSA-N 1 2 298.365 3.008 20 30 CGEDLO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1 ZINC000348813384 393132244 /nfs/dbraw/zinc/13/22/44/393132244.db2.gz GNIOAVFQZQLMSB-INIZCTEOSA-N 1 2 299.374 3.280 20 30 CGEDLO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1 ZINC000348813384 393132249 /nfs/dbraw/zinc/13/22/49/393132249.db2.gz GNIOAVFQZQLMSB-INIZCTEOSA-N 1 2 299.374 3.280 20 30 CGEDLO C#CCC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000270533391 393238489 /nfs/dbraw/zinc/23/84/89/393238489.db2.gz GBIWPORXCUADPB-IUODEOHRSA-N 1 2 263.768 3.125 20 30 CGEDLO C#CCC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000270533391 393238497 /nfs/dbraw/zinc/23/84/97/393238497.db2.gz GBIWPORXCUADPB-IUODEOHRSA-N 1 2 263.768 3.125 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428351232 393463056 /nfs/dbraw/zinc/46/30/56/393463056.db2.gz WXSWUCIOWWOAJB-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(F)c1C#N ZINC000428351232 393463062 /nfs/dbraw/zinc/46/30/62/393463062.db2.gz WXSWUCIOWWOAJB-ZDUSSCGKSA-N 1 2 296.345 3.480 20 30 CGEDLO C=C1CC(C)(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000630869632 542784028 /nfs/dbraw/zinc/78/40/28/542784028.db2.gz VZVCUNHBVMDALF-UHFFFAOYSA-N 1 2 267.332 3.372 20 30 CGEDLO Cc1ccc(CN2CCc3c2cccc3C#N)c(C)[nH+]1 ZINC000420971705 393563849 /nfs/dbraw/zinc/56/38/49/393563849.db2.gz IXDQZJKACNWNKV-UHFFFAOYSA-N 1 2 263.344 3.133 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361060490 393660034 /nfs/dbraw/zinc/66/00/34/393660034.db2.gz WNYOZEIMQLDBBU-HBUWYVDXSA-N 1 2 299.418 3.006 20 30 CGEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361060490 393660040 /nfs/dbraw/zinc/66/00/40/393660040.db2.gz WNYOZEIMQLDBBU-HBUWYVDXSA-N 1 2 299.418 3.006 20 30 CGEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000046438294 397628438 /nfs/dbraw/zinc/62/84/38/397628438.db2.gz AQDLNFJGIOILBI-UHFFFAOYSA-N 1 2 298.308 3.318 20 30 CGEDLO COCC#CC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000677818792 543468086 /nfs/dbraw/zinc/46/80/86/543468086.db2.gz VZVPJAPFEMLPED-LBPRGKRZSA-N 1 2 296.208 3.092 20 30 CGEDLO COCC#CC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000677818792 543468088 /nfs/dbraw/zinc/46/80/88/543468088.db2.gz VZVPJAPFEMLPED-LBPRGKRZSA-N 1 2 296.208 3.092 20 30 CGEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nccs1 ZINC000080278249 165153240 /nfs/dbraw/zinc/15/32/40/165153240.db2.gz JDSYGMACTZJOOH-CYBMUJFWSA-N 1 2 275.352 3.395 20 30 CGEDLO Cc1ccc(NC(=O)Nc2cccc(C#N)c2)c(C)[nH+]1 ZINC000128693767 287316204 /nfs/dbraw/zinc/31/62/04/287316204.db2.gz SXWAXSBMCWULKX-UHFFFAOYSA-N 1 2 266.304 3.214 20 30 CGEDLO C=CCC1(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CCCC1 ZINC000665047083 419045306 /nfs/dbraw/zinc/04/53/06/419045306.db2.gz HIIPYWFPHNYOOY-OLZOCXBDSA-N 1 2 288.395 3.077 20 30 CGEDLO C=CCC1(NC(=O)NCc2c[nH+]c(C)cc2C)CCCC1 ZINC000665063440 419047645 /nfs/dbraw/zinc/04/76/45/419047645.db2.gz MUEOKOINDLGJCJ-UHFFFAOYSA-N 1 2 287.407 3.387 20 30 CGEDLO CCC#C[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912138 419112241 /nfs/dbraw/zinc/11/22/41/419112241.db2.gz ONEYDMREYLBRNS-GDBMZVCRSA-N 1 2 268.360 3.350 20 30 CGEDLO C=CCCn1cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)nn1 ZINC000653584036 419054877 /nfs/dbraw/zinc/05/48/77/419054877.db2.gz FEWIYDLRHZSNGM-CYBMUJFWSA-N 1 2 286.379 3.173 20 30 CGEDLO C=CCCn1cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)nn1 ZINC000653584036 419054878 /nfs/dbraw/zinc/05/48/78/419054878.db2.gz FEWIYDLRHZSNGM-CYBMUJFWSA-N 1 2 286.379 3.173 20 30 CGEDLO C=CCCn1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)nn1 ZINC000653592929 419056104 /nfs/dbraw/zinc/05/61/04/419056104.db2.gz YSVLHCOGBMPUDL-UHFFFAOYSA-N 1 2 274.412 3.032 20 30 CGEDLO C=CCCn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)nn1 ZINC000653592929 419056109 /nfs/dbraw/zinc/05/61/09/419056109.db2.gz YSVLHCOGBMPUDL-UHFFFAOYSA-N 1 2 274.412 3.032 20 30 CGEDLO C=CC[N@H+](Cc1cc(-c2cccs2)on1)[C@@H](C)COC ZINC000661246190 419244640 /nfs/dbraw/zinc/24/46/40/419244640.db2.gz GDWUAKWOTMNMCB-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1cc(-c2cccs2)on1)[C@@H](C)COC ZINC000661246190 419244642 /nfs/dbraw/zinc/24/46/42/419244642.db2.gz GDWUAKWOTMNMCB-LBPRGKRZSA-N 1 2 292.404 3.426 20 30 CGEDLO C=CC[N@@H+](Cc1noc(-c2cncc(C)c2)n1)C(C)(C)C ZINC000661759137 419295740 /nfs/dbraw/zinc/29/57/40/419295740.db2.gz ZQHVKNZXZCOKMY-UHFFFAOYSA-N 1 2 286.379 3.227 20 30 CGEDLO C=CC[N@H+](Cc1noc(-c2cncc(C)c2)n1)C(C)(C)C ZINC000661759137 419295742 /nfs/dbraw/zinc/29/57/42/419295742.db2.gz ZQHVKNZXZCOKMY-UHFFFAOYSA-N 1 2 286.379 3.227 20 30 CGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000336188790 228208860 /nfs/dbraw/zinc/20/88/60/228208860.db2.gz BSVAOMINLRJCCZ-MRXNPFEDSA-N 1 2 294.402 3.404 20 30 CGEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000336188790 228208861 /nfs/dbraw/zinc/20/88/61/228208861.db2.gz BSVAOMINLRJCCZ-MRXNPFEDSA-N 1 2 294.402 3.404 20 30 CGEDLO N#C[C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000332384392 228157357 /nfs/dbraw/zinc/15/73/57/228157357.db2.gz INRFFRBLTQUSAB-KGLIPLIRSA-N 1 2 270.380 3.176 20 30 CGEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352092777 228181551 /nfs/dbraw/zinc/18/15/51/228181551.db2.gz XOYKRJPMHPFADC-LBPRGKRZSA-N 1 2 299.330 3.446 20 30 CGEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352092777 228181552 /nfs/dbraw/zinc/18/15/52/228181552.db2.gz XOYKRJPMHPFADC-LBPRGKRZSA-N 1 2 299.330 3.446 20 30 CGEDLO Cc1[nH+]cn(-c2ccc(NC[C@@H](C#N)CCC#N)cc2)c1C ZINC000517361446 260154771 /nfs/dbraw/zinc/15/47/71/260154771.db2.gz JNNPYRCYUVZJIF-OAHLLOKOSA-N 1 2 293.374 3.345 20 30 CGEDLO Cc1ccccc1NC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000072666981 260277366 /nfs/dbraw/zinc/27/73/66/260277366.db2.gz ITXPOLBOPWQKMG-UHFFFAOYSA-N 1 2 285.391 3.092 20 30 CGEDLO Cc1ccccc1NC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000072666981 260277368 /nfs/dbraw/zinc/27/73/68/260277368.db2.gz ITXPOLBOPWQKMG-UHFFFAOYSA-N 1 2 285.391 3.092 20 30 CGEDLO CCOc1cccc(/C=[NH+]/[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1O ZINC000155081817 261097713 /nfs/dbraw/zinc/09/77/13/261097713.db2.gz FOOHCECYDUVPAZ-DCMQUHJCSA-N 1 2 289.375 3.167 20 30 CGEDLO C=C(CC)C[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000362186284 261442236 /nfs/dbraw/zinc/44/22/36/261442236.db2.gz YJEGPBMZIQLZLI-ZDUSSCGKSA-N 1 2 294.420 3.423 20 30 CGEDLO C=C(CC)C[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000362186284 261442238 /nfs/dbraw/zinc/44/22/38/261442238.db2.gz YJEGPBMZIQLZLI-ZDUSSCGKSA-N 1 2 294.420 3.423 20 30 CGEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000184088457 262008091 /nfs/dbraw/zinc/00/80/91/262008091.db2.gz CAMHXLGLESHYJS-NSHDSACASA-N 1 2 251.399 3.123 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000491813817 262088756 /nfs/dbraw/zinc/08/87/56/262088756.db2.gz ISKLZOXKXRMDQC-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000491813817 262088757 /nfs/dbraw/zinc/08/87/57/262088757.db2.gz ISKLZOXKXRMDQC-GFCCVEGCSA-N 1 2 286.400 3.272 20 30 CGEDLO C[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000354017993 262276180 /nfs/dbraw/zinc/27/61/80/262276180.db2.gz NLZOGHUUXGYYHM-UHFFFAOYSA-N 1 2 286.297 3.393 20 30 CGEDLO C[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000354017993 262276181 /nfs/dbraw/zinc/27/61/81/262276181.db2.gz NLZOGHUUXGYYHM-UHFFFAOYSA-N 1 2 286.297 3.393 20 30 CGEDLO COC(=O)c1coc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000271775583 262999500 /nfs/dbraw/zinc/99/95/00/262999500.db2.gz JVVFXCMLCRDACN-INIZCTEOSA-N 1 2 298.342 3.201 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000276292456 263035728 /nfs/dbraw/zinc/03/57/28/263035728.db2.gz IDRFIVUGHJJIIO-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000276292456 263035729 /nfs/dbraw/zinc/03/57/29/263035729.db2.gz IDRFIVUGHJJIIO-SWLSCSKDSA-N 1 2 278.783 3.406 20 30 CGEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000276303636 263035997 /nfs/dbraw/zinc/03/59/97/263035997.db2.gz KNQMCVLMJBSLNR-ZDUSSCGKSA-N 1 2 268.364 3.201 20 30 CGEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000276303636 263035998 /nfs/dbraw/zinc/03/59/98/263035998.db2.gz KNQMCVLMJBSLNR-ZDUSSCGKSA-N 1 2 268.364 3.201 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1C(C)C ZINC000279678496 263056736 /nfs/dbraw/zinc/05/67/36/263056736.db2.gz PQMGFPSUYSRGRL-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1C(C)C ZINC000279678496 263056737 /nfs/dbraw/zinc/05/67/37/263056737.db2.gz PQMGFPSUYSRGRL-UHFFFAOYSA-N 1 2 262.401 3.226 20 30 CGEDLO Cc1cc[nH+]c(C)c1NC(=O)NCC1CCC(C#N)CC1 ZINC000287532119 263102111 /nfs/dbraw/zinc/10/21/11/263102111.db2.gz NPURPYNIFOGXTM-UHFFFAOYSA-N 1 2 286.379 3.150 20 30 CGEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290503501 263117338 /nfs/dbraw/zinc/11/73/38/263117338.db2.gz SQLQJAOQCCMMDY-VIFPVBQESA-N 1 2 272.270 3.145 20 30 CGEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290503501 263117339 /nfs/dbraw/zinc/11/73/39/263117339.db2.gz SQLQJAOQCCMMDY-VIFPVBQESA-N 1 2 272.270 3.145 20 30 CGEDLO C=CC[N@@H+](CCC#N)Cc1ccc(SC)c(OC)c1 ZINC000292055491 263127874 /nfs/dbraw/zinc/12/78/74/263127874.db2.gz BOLAXLNJQATHHW-UHFFFAOYSA-N 1 2 276.405 3.319 20 30 CGEDLO C=CC[N@H+](CCC#N)Cc1ccc(SC)c(OC)c1 ZINC000292055491 263127875 /nfs/dbraw/zinc/12/78/75/263127875.db2.gz BOLAXLNJQATHHW-UHFFFAOYSA-N 1 2 276.405 3.319 20 30 CGEDLO CC(C)O[C@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000292431996 263132129 /nfs/dbraw/zinc/13/21/29/263132129.db2.gz MELXHFDJGWDZNW-GOEBONIOSA-N 1 2 260.381 3.244 20 30 CGEDLO CC(C)O[C@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000292431996 263132130 /nfs/dbraw/zinc/13/21/30/263132130.db2.gz MELXHFDJGWDZNW-GOEBONIOSA-N 1 2 260.381 3.244 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829437 263135563 /nfs/dbraw/zinc/13/55/63/263135563.db2.gz OQCYQIWXXQKTIF-GHMZBOCLSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829437 263135564 /nfs/dbraw/zinc/13/55/64/263135564.db2.gz OQCYQIWXXQKTIF-GHMZBOCLSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829447 263135666 /nfs/dbraw/zinc/13/56/66/263135666.db2.gz OQCYQIWXXQKTIF-WDEREUQCSA-N 1 2 262.303 3.015 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c(F)ccc(F)c3C2)C1 ZINC000292829447 263135667 /nfs/dbraw/zinc/13/56/67/263135667.db2.gz OQCYQIWXXQKTIF-WDEREUQCSA-N 1 2 262.303 3.015 20 30 CGEDLO C=C(C)C[N@@H+](CC)Cc1ncc(Br)s1 ZINC000340912172 263314567 /nfs/dbraw/zinc/31/45/67/263314567.db2.gz IWSCUDPMBHADHW-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C=C(C)C[N@H+](CC)Cc1ncc(Br)s1 ZINC000340912172 263314570 /nfs/dbraw/zinc/31/45/70/263314570.db2.gz IWSCUDPMBHADHW-UHFFFAOYSA-N 1 2 275.215 3.304 20 30 CGEDLO C=CC[C@@H](CC)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341226867 263327767 /nfs/dbraw/zinc/32/77/67/263327767.db2.gz KAOVVFSLZYFPIC-OAHLLOKOSA-N 1 2 298.390 3.026 20 30 CGEDLO CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H](C)C#N ZINC000341877492 263361224 /nfs/dbraw/zinc/36/12/24/263361224.db2.gz REIZPOZCPHJQNZ-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H](C)C#N ZINC000341877492 263361225 /nfs/dbraw/zinc/36/12/25/263361225.db2.gz REIZPOZCPHJQNZ-SNVBAGLBSA-N 1 2 271.286 3.082 20 30 CGEDLO CC(C)(C)CC[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000341889179 263364270 /nfs/dbraw/zinc/36/42/70/263364270.db2.gz KTARLEIGEZUDJX-KRWDZBQOSA-N 1 2 285.435 3.133 20 30 CGEDLO CC(C)(C)CC[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000341889179 263364273 /nfs/dbraw/zinc/36/42/73/263364273.db2.gz KTARLEIGEZUDJX-KRWDZBQOSA-N 1 2 285.435 3.133 20 30 CGEDLO COCC1(C#N)CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000341984752 263380353 /nfs/dbraw/zinc/38/03/53/263380353.db2.gz FFORMCXJNIIMHX-UHFFFAOYSA-N 1 2 296.773 3.231 20 30 CGEDLO C=CCN(Cc1[nH+]cc(C)n1C)Cc1ccccc1F ZINC000342776838 263495693 /nfs/dbraw/zinc/49/56/93/263495693.db2.gz INEQFMKURPOBHH-UHFFFAOYSA-N 1 2 273.355 3.056 20 30 CGEDLO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000331314066 264187319 /nfs/dbraw/zinc/18/73/19/264187319.db2.gz CNUKAQDYXJSSAZ-TZMCWYRMSA-N 1 2 273.380 3.041 20 30 CGEDLO C=CC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000116873573 267185187 /nfs/dbraw/zinc/18/51/87/267185187.db2.gz OSAMRKOVQUWYCK-LLVKDONJSA-N 1 2 254.337 3.224 20 30 CGEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)C#N ZINC000433296019 267314482 /nfs/dbraw/zinc/31/44/82/267314482.db2.gz GQCLQPRAKKBHGM-UHFFFAOYSA-N 1 2 293.317 3.141 20 30 CGEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)C#N ZINC000433296019 267314484 /nfs/dbraw/zinc/31/44/84/267314484.db2.gz GQCLQPRAKKBHGM-UHFFFAOYSA-N 1 2 293.317 3.141 20 30 CGEDLO N#Cc1ccc(CN(c2cc[nH+]c(C3CC3)n2)C2CC2)cc1 ZINC000264949211 268063843 /nfs/dbraw/zinc/06/38/43/268063843.db2.gz WIIPVVSXSWAFMD-UHFFFAOYSA-N 1 2 290.370 3.395 20 30 CGEDLO C=CC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000302068460 275742340 /nfs/dbraw/zinc/74/23/40/275742340.db2.gz XCDALCBQXHKMIX-UHFFFAOYSA-N 1 2 257.381 3.066 20 30 CGEDLO N#CC1(F)CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000352447616 279477832 /nfs/dbraw/zinc/47/78/32/279477832.db2.gz BYNGAMOYAPZNJV-UHFFFAOYSA-N 1 2 270.710 3.307 20 30 CGEDLO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329598336 280255907 /nfs/dbraw/zinc/25/59/07/280255907.db2.gz JINAKIVXCMQFJP-UPJWGTAASA-N 1 2 275.396 3.440 20 30 CGEDLO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329598336 280255911 /nfs/dbraw/zinc/25/59/11/280255911.db2.gz JINAKIVXCMQFJP-UPJWGTAASA-N 1 2 275.396 3.440 20 30 CGEDLO Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)c(C#N)c[nH+]1 ZINC000425268140 280300573 /nfs/dbraw/zinc/30/05/73/280300573.db2.gz NHXHZSKXIBMFGG-KRWDZBQOSA-N 1 2 288.354 3.045 20 30 CGEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(Br)cc1C#N ZINC000553892284 289244487 /nfs/dbraw/zinc/24/44/87/289244487.db2.gz LYDVMUDWTFHXLO-AOOOYVTPSA-N 1 2 279.181 3.303 20 30 CGEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000553892284 289244488 /nfs/dbraw/zinc/24/44/88/289244488.db2.gz LYDVMUDWTFHXLO-AOOOYVTPSA-N 1 2 279.181 3.303 20 30 CGEDLO C=CCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000161036206 328120344 /nfs/dbraw/zinc/12/03/44/328120344.db2.gz VHWBVJRZGFAEJV-HUUCEWRRSA-N 1 2 261.365 3.235 20 30 CGEDLO COc1cc(C)[nH+]c(CO/N=C/c2ccccc2C)c1 ZINC000271193433 328195852 /nfs/dbraw/zinc/19/58/52/328195852.db2.gz GYDOCRZWFYGTOQ-LICLKQGHSA-N 1 2 270.332 3.258 20 30 CGEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(F)c1O ZINC000272339522 328199905 /nfs/dbraw/zinc/19/99/05/328199905.db2.gz YILPYMLJAZZHCP-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC000272339522 328199906 /nfs/dbraw/zinc/19/99/06/328199906.db2.gz YILPYMLJAZZHCP-UHFFFAOYSA-N 1 2 264.344 3.293 20 30 CGEDLO N#CCSCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292572897 328271864 /nfs/dbraw/zinc/27/18/64/328271864.db2.gz BVHYKACUUSILSY-GFCCVEGCSA-N 1 2 270.348 3.229 20 30 CGEDLO COc1cc(OCc2cn3cccc(C)c3[nH+]2)ccc1C#N ZINC000569658142 322253230 /nfs/dbraw/zinc/25/32/30/322253230.db2.gz SPUANSUPMIKYQI-UHFFFAOYSA-N 1 2 293.326 3.102 20 30 CGEDLO N#CCC[C@H](C#N)C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000556858872 326973628 /nfs/dbraw/zinc/97/36/28/326973628.db2.gz LREFGLAEOUXXKY-RISCZKNCSA-N 1 2 289.766 3.197 20 30 CGEDLO C=C(C)C[N@@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000533845940 327222836 /nfs/dbraw/zinc/22/28/36/327222836.db2.gz HPVJDEDELGNABY-CQSZACIVSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(C)C[N@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000533845940 327222838 /nfs/dbraw/zinc/22/28/38/327222838.db2.gz HPVJDEDELGNABY-CQSZACIVSA-N 1 2 261.365 3.189 20 30 CGEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000181251047 329227414 /nfs/dbraw/zinc/22/74/14/329227414.db2.gz IJDNGMCRWMCRHW-UHFFFAOYSA-N 1 2 277.755 3.398 20 30 CGEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000181251047 329227415 /nfs/dbraw/zinc/22/74/15/329227415.db2.gz IJDNGMCRWMCRHW-UHFFFAOYSA-N 1 2 277.755 3.398 20 30 CGEDLO COc1cc(Br)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000182160625 329240374 /nfs/dbraw/zinc/24/03/74/329240374.db2.gz TXEQPULQURDEIL-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO COc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000182160625 329240376 /nfs/dbraw/zinc/24/03/76/329240376.db2.gz TXEQPULQURDEIL-JTQLQIEISA-N 1 2 297.196 3.192 20 30 CGEDLO N#CCc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000183280531 329248833 /nfs/dbraw/zinc/24/88/33/329248833.db2.gz GXSBZMNIIYVNOH-UHFFFAOYSA-N 1 2 262.316 3.012 20 30 CGEDLO C=CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1F ZINC000271136221 330077879 /nfs/dbraw/zinc/07/78/79/330077879.db2.gz MVCZKXKGTXCZCO-UHFFFAOYSA-N 1 2 273.355 3.354 20 30 CGEDLO C=CC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1F ZINC000271136221 330077880 /nfs/dbraw/zinc/07/78/80/330077880.db2.gz MVCZKXKGTXCZCO-UHFFFAOYSA-N 1 2 273.355 3.354 20 30 CGEDLO CCn1ccnc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000533038264 330325813 /nfs/dbraw/zinc/32/58/13/330325813.db2.gz MZXHISLARBFYMI-HNNXBMFYSA-N 1 2 268.364 3.038 20 30 CGEDLO Cc1csc([C@@H](C#N)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000436696222 330682786 /nfs/dbraw/zinc/68/27/86/330682786.db2.gz ICANGIBCXUKBCO-AWEZNQCLSA-N 1 2 299.399 3.003 20 30 CGEDLO C=CCn1c2ccccc2nc1SCc1c[nH+]cn1C ZINC000439548380 330740276 /nfs/dbraw/zinc/74/02/76/330740276.db2.gz XVIRPJTZSWOOQB-UHFFFAOYSA-N 1 2 284.388 3.248 20 30 CGEDLO COc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1Cl ZINC000450972857 331009367 /nfs/dbraw/zinc/00/93/67/331009367.db2.gz IXZCAQYLPCGSOS-UHFFFAOYSA-N 1 2 282.746 3.176 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451015760 331011759 /nfs/dbraw/zinc/01/17/59/331011759.db2.gz KLJUJAILAKIFKE-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451015760 331011760 /nfs/dbraw/zinc/01/17/60/331011760.db2.gz KLJUJAILAKIFKE-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015760 331011761 /nfs/dbraw/zinc/01/17/61/331011761.db2.gz KLJUJAILAKIFKE-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451015760 331011762 /nfs/dbraw/zinc/01/17/62/331011762.db2.gz KLJUJAILAKIFKE-CQSZACIVSA-N 1 2 273.767 3.377 20 30 CGEDLO C=CCSCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455460104 331170333 /nfs/dbraw/zinc/17/03/33/331170333.db2.gz AIWJYXCIRNEXIS-UHFFFAOYSA-N 1 2 279.409 3.048 20 30 CGEDLO C=CC[C@@H](C(=O)N[C@@H](C)c1[nH+]ccn1CC)c1ccccc1 ZINC000456366860 331191166 /nfs/dbraw/zinc/19/11/66/331191166.db2.gz WNFWWJVSDUECTA-GOEBONIOSA-N 1 2 297.402 3.440 20 30 CGEDLO C=CCC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CCCC1 ZINC000456396534 331192099 /nfs/dbraw/zinc/19/20/99/331192099.db2.gz BCBWOGABMIFPMP-STQMWFEESA-N 1 2 273.380 3.142 20 30 CGEDLO C=CCC1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCC1 ZINC000456499463 331194359 /nfs/dbraw/zinc/19/43/59/331194359.db2.gz BVSVLXXZRZKLBW-ZDUSSCGKSA-N 1 2 287.407 3.082 20 30 CGEDLO C=CCC1(CNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)CCCC1 ZINC000456499463 331194360 /nfs/dbraw/zinc/19/43/60/331194360.db2.gz BVSVLXXZRZKLBW-ZDUSSCGKSA-N 1 2 287.407 3.082 20 30 CGEDLO C=C1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000487912460 331984015 /nfs/dbraw/zinc/98/40/15/331984015.db2.gz NIUVILWSUPMJCC-UHFFFAOYSA-N 1 2 289.329 3.303 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000489421797 332051316 /nfs/dbraw/zinc/05/13/16/332051316.db2.gz DXMZKFGCDZUAPJ-LBPRGKRZSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1F ZINC000489421797 332051317 /nfs/dbraw/zinc/05/13/17/332051317.db2.gz DXMZKFGCDZUAPJ-LBPRGKRZSA-N 1 2 296.773 3.458 20 30 CGEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000489447328 332053146 /nfs/dbraw/zinc/05/31/46/332053146.db2.gz KADUWOWMCZEZBL-ZDUSSCGKSA-N 1 2 277.437 3.282 20 30 CGEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000489447328 332053148 /nfs/dbraw/zinc/05/31/48/332053148.db2.gz KADUWOWMCZEZBL-ZDUSSCGKSA-N 1 2 277.437 3.282 20 30 CGEDLO CCC[N@H+](CC1(C#N)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490055915 332079042 /nfs/dbraw/zinc/07/90/42/332079042.db2.gz PDBRBNWTWMYNCZ-HNNXBMFYSA-N 1 2 299.418 3.338 20 30 CGEDLO CCC[N@@H+](CC1(C#N)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490055915 332079043 /nfs/dbraw/zinc/07/90/43/332079043.db2.gz PDBRBNWTWMYNCZ-HNNXBMFYSA-N 1 2 299.418 3.338 20 30 CGEDLO C#CC[N@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000490780264 332115141 /nfs/dbraw/zinc/11/51/41/332115141.db2.gz IKJLNWWEOQVLLD-MRXNPFEDSA-N 1 2 293.370 3.070 20 30 CGEDLO C#CC[N@@H+](Cc1nnc(C2CC2)o1)[C@@H]1CCc2ccccc21 ZINC000490780264 332115142 /nfs/dbraw/zinc/11/51/42/332115142.db2.gz IKJLNWWEOQVLLD-MRXNPFEDSA-N 1 2 293.370 3.070 20 30 CGEDLO C#CC[N@@H+](CC)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000490899302 332127464 /nfs/dbraw/zinc/12/74/64/332127464.db2.gz ODKLHLQSSHVZQX-UHFFFAOYSA-N 1 2 290.798 3.121 20 30 CGEDLO C#CC[N@H+](CC)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000490899302 332127465 /nfs/dbraw/zinc/12/74/65/332127465.db2.gz ODKLHLQSSHVZQX-UHFFFAOYSA-N 1 2 290.798 3.121 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000491775528 332341209 /nfs/dbraw/zinc/34/12/09/332341209.db2.gz YHBHLVTZBYHTRV-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000491775528 332341210 /nfs/dbraw/zinc/34/12/10/332341210.db2.gz YHBHLVTZBYHTRV-LBPRGKRZSA-N 1 2 286.400 3.272 20 30 CGEDLO C=CCCc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492866142 332416673 /nfs/dbraw/zinc/41/66/73/332416673.db2.gz PWLZVOLUWSPXOD-KTKRTIGZSA-N 1 2 267.332 3.180 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000552029573 334278582 /nfs/dbraw/zinc/27/85/82/334278582.db2.gz ZYNUPEOZENBYKO-UHFFFAOYSA-N 1 2 285.372 3.219 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185878739 333150993 /nfs/dbraw/zinc/15/09/93/333150993.db2.gz PNAJMIIJLDGCEJ-BFHYXJOUSA-N 1 2 280.412 3.025 20 30 CGEDLO C#CC[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000192237997 333233500 /nfs/dbraw/zinc/23/35/00/333233500.db2.gz ABHLEUMNGZQGOR-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C#CC[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000192237997 333233502 /nfs/dbraw/zinc/23/35/02/333233502.db2.gz ABHLEUMNGZQGOR-UHFFFAOYSA-N 1 2 260.724 3.060 20 30 CGEDLO C=CCCC[C@@H](C)NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000546209875 334019657 /nfs/dbraw/zinc/01/96/57/334019657.db2.gz LZQPZOHNWAXJSX-CQSZACIVSA-N 1 2 299.418 3.460 20 30 CGEDLO C=C[C@](C)(CC)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000134932402 334108840 /nfs/dbraw/zinc/10/88/40/334108840.db2.gz DXNCFOPPQHDYNO-GOSISDBHSA-N 1 2 297.402 3.150 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000550475331 334223121 /nfs/dbraw/zinc/22/31/21/334223121.db2.gz UQAREAXQVOUBOM-MAZHCROVSA-N 1 2 290.794 3.406 20 30 CGEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000550475331 334223123 /nfs/dbraw/zinc/22/31/23/334223123.db2.gz UQAREAXQVOUBOM-MAZHCROVSA-N 1 2 290.794 3.406 20 30 CGEDLO CC(C)COC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccco1 ZINC000576288839 335184178 /nfs/dbraw/zinc/18/41/78/335184178.db2.gz HYOGVAJXRHEQGT-MRXNPFEDSA-N 1 2 299.374 3.050 20 30 CGEDLO C=C[C@@H](CC(=O)Nc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000179068679 335471943 /nfs/dbraw/zinc/47/19/43/335471943.db2.gz ZQIXNYRZMYGDEM-AWEZNQCLSA-N 1 2 295.386 3.446 20 30 CGEDLO C[C@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000183836575 335909226 /nfs/dbraw/zinc/90/92/26/335909226.db2.gz SDHFPAFYUXZXST-MRVPVSSYSA-N 1 2 260.234 3.094 20 30 CGEDLO C[C@@H](C#N)C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000183837377 335909267 /nfs/dbraw/zinc/90/92/67/335909267.db2.gz SLXYVGMXMQUXGX-VIFPVBQESA-N 1 2 263.391 3.121 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1SC ZINC000580723413 335960251 /nfs/dbraw/zinc/96/02/51/335960251.db2.gz ZEEOQHSLWOKLLT-NEPJUHHUSA-N 1 2 291.420 3.017 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000581378774 336065105 /nfs/dbraw/zinc/06/51/05/336065105.db2.gz STCDLIFYTJRIQH-KBPBESRZSA-N 1 2 287.407 3.419 20 30 CGEDLO C=CC(C)(C)C[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000384922450 336134514 /nfs/dbraw/zinc/13/45/14/336134514.db2.gz FROQBAYNFDZBKV-AWEZNQCLSA-N 1 2 261.365 3.093 20 30 CGEDLO Cc1cc(C)c(NC(=O)N2CCC(CC#N)CC2)c(C)[nH+]1 ZINC000334717326 534074088 /nfs/dbraw/zinc/07/40/88/534074088.db2.gz KQEAEMACSTWTSJ-UHFFFAOYSA-N 1 2 286.379 3.164 20 30 CGEDLO COC(=O)c1ccoc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541330 534299966 /nfs/dbraw/zinc/29/99/66/534299966.db2.gz WPKDCQALCXVKBG-GFCCVEGCSA-N 1 2 298.342 3.131 20 30 CGEDLO COC(=O)c1ccoc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541330 534299967 /nfs/dbraw/zinc/29/99/67/534299967.db2.gz WPKDCQALCXVKBG-GFCCVEGCSA-N 1 2 298.342 3.131 20 30 CGEDLO COC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000184561225 522731494 /nfs/dbraw/zinc/73/14/94/522731494.db2.gz MZXBPVGEKOZOHT-HNNXBMFYSA-N 1 2 289.762 3.262 20 30 CGEDLO N#Cc1c(F)cccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000428311528 534764210 /nfs/dbraw/zinc/76/42/10/534764210.db2.gz RZGKJDUJQUJYIU-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000428311528 534764214 /nfs/dbraw/zinc/76/42/14/534764214.db2.gz RZGKJDUJQUJYIU-UHFFFAOYSA-N 1 2 281.334 3.257 20 30 CGEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356064781 526314883 /nfs/dbraw/zinc/31/48/83/526314883.db2.gz YMMLPNKKQJGFMG-UHFFFAOYSA-N 1 2 283.400 3.245 20 30 CGEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356064781 526314889 /nfs/dbraw/zinc/31/48/89/526314889.db2.gz YMMLPNKKQJGFMG-UHFFFAOYSA-N 1 2 283.400 3.245 20 30 CGEDLO CCOc1cc(C)ccc1CNc1cc(C)[nH+]cc1C#N ZINC000425230205 528240815 /nfs/dbraw/zinc/24/08/15/528240815.db2.gz CYCKWHQIOWKKNP-UHFFFAOYSA-N 1 2 281.359 3.003 20 30 CGEDLO CCOc1ccccc1CC/[NH+]=C/c1c(O)cccc1OC ZINC000727653248 571760863 /nfs/dbraw/zinc/76/08/63/571760863.db2.gz IRBCQSRPLKPTNL-CPNJWEJPSA-N 1 2 299.370 3.461 20 30 CGEDLO CCCCCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728541254 571811430 /nfs/dbraw/zinc/81/14/30/571811430.db2.gz FUMQLEJZYOZTPE-OAHLLOKOSA-N 1 2 277.412 3.407 20 30 CGEDLO N#Cc1ccc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000729985654 571939801 /nfs/dbraw/zinc/93/98/01/571939801.db2.gz OAZDMQQAEDLDSM-UHFFFAOYSA-N 1 2 299.761 3.453 20 30 CGEDLO O=[N+]([O-])c1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730146003 571950630 /nfs/dbraw/zinc/95/06/30/571950630.db2.gz ATLLFOBKOOCGSH-UHFFFAOYSA-N 1 2 292.298 3.011 20 30 CGEDLO C[C@H]1CC(/[NH+]=C/c2ccc(O)c(O)c2O)C[C@@H](C)C1 ZINC000739426507 572414183 /nfs/dbraw/zinc/41/41/83/572414183.db2.gz MTWNFGHKCIFTFF-XLOAGXMCSA-N 1 2 263.337 3.047 20 30 CGEDLO CC[C@@H]1CCC[C@@H](/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000740763609 572455744 /nfs/dbraw/zinc/45/57/44/572455744.db2.gz MMTGAXWWDPHWFD-WKIQKQIYSA-N 1 2 263.337 3.191 20 30 CGEDLO C=CCNC(=S)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000732624078 572474921 /nfs/dbraw/zinc/47/49/21/572474921.db2.gz WKSGZEZGGIJDEK-UHFFFAOYSA-N 1 2 285.372 3.346 20 30 CGEDLO CSc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1F ZINC000741848377 572534639 /nfs/dbraw/zinc/53/46/39/572534639.db2.gz ZBZXGJCSXUIGBC-HWKANZROSA-N 1 2 262.309 3.167 20 30 CGEDLO O=C1c2ccccc2O/C1=C\c1[nH+]ccn1CC(F)(F)F ZINC000742438116 572583427 /nfs/dbraw/zinc/58/34/27/572583427.db2.gz YSLUPGWDLKREHG-XFFZJAGNSA-N 1 2 294.232 3.062 20 30 CGEDLO CCOc1ccc(/C=[NH+]/[C@@H]2CC[C@H](SC)C2)c(O)c1 ZINC000743043548 572635738 /nfs/dbraw/zinc/63/57/38/572635738.db2.gz WNZIBZWYGBKRGA-XYZGBQHVSA-N 1 2 279.405 3.494 20 30 CGEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1nc2ccccc2s1 ZINC000734160154 572636631 /nfs/dbraw/zinc/63/66/31/572636631.db2.gz ULTCUOQNFUJBTR-NWDGAFQWSA-N 1 2 284.388 3.390 20 30 CGEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000746457725 572871686 /nfs/dbraw/zinc/87/16/86/572871686.db2.gz PFGRSGXJNRFFPM-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000746457725 572871690 /nfs/dbraw/zinc/87/16/90/572871690.db2.gz PFGRSGXJNRFFPM-NSHDSACASA-N 1 2 289.766 3.406 20 30 CGEDLO O=C(C#Cc1ccccc1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000747349875 572926246 /nfs/dbraw/zinc/92/62/46/572926246.db2.gz KPNCIMYNARZVNM-UHFFFAOYSA-N 1 2 287.322 3.067 20 30 CGEDLO C=CCCCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000748235247 572969509 /nfs/dbraw/zinc/96/95/09/572969509.db2.gz JZLYMVILGPTNHL-UHFFFAOYSA-N 1 2 258.321 3.042 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccnn1CC1CCC1 ZINC000899414733 620697234 /nfs/dbraw/zinc/69/72/34/620697234.db2.gz XXUAIARDECYSML-SREVYHEPSA-N 1 2 298.390 3.357 20 30 CGEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC000957071234 613294335 /nfs/dbraw/zinc/29/43/35/613294335.db2.gz PFNIUTMWDVQHAN-DOTOQJQBSA-N 1 2 292.467 3.312 20 30 CGEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC000957843015 613318614 /nfs/dbraw/zinc/31/86/14/613318614.db2.gz TWUKWHTUZNGANJ-SFHVURJKSA-N 1 2 290.451 3.233 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974717409 613380054 /nfs/dbraw/zinc/38/00/54/613380054.db2.gz HXJYQUUNFKOCNE-GXTWGEPZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974717409 613380055 /nfs/dbraw/zinc/38/00/55/613380055.db2.gz HXJYQUUNFKOCNE-GXTWGEPZSA-N 1 2 298.858 3.002 20 30 CGEDLO C=C(C)c1cccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000890890460 617892958 /nfs/dbraw/zinc/89/29/58/617892958.db2.gz VHUILWZMWVZZLD-CQSZACIVSA-N 1 2 281.359 3.117 20 30 CGEDLO C=CCCCN(CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000890813157 617869650 /nfs/dbraw/zinc/86/96/50/617869650.db2.gz RNECTBXHZNUPSY-UHFFFAOYSA-N 1 2 297.402 3.360 20 30 CGEDLO C=C1CCC(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000900342958 620782838 /nfs/dbraw/zinc/78/28/38/620782838.db2.gz UTKUKQABTLFUHC-OAHLLOKOSA-N 1 2 289.423 3.160 20 30 CGEDLO C=CC(C)(C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000900342994 620783025 /nfs/dbraw/zinc/78/30/25/620783025.db2.gz VEZQSELYDUUQCK-ZDUSSCGKSA-N 1 2 277.412 3.016 20 30 CGEDLO CCOc1ccc(O)c(/C=N\Cc2ccn3cc[nH+]c3c2)c1 ZINC000255359514 618218555 /nfs/dbraw/zinc/21/85/55/618218555.db2.gz ATZDCXVHSWRTCV-PDGQHHTCSA-N 1 2 295.342 3.058 20 30 CGEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC000891466082 618227250 /nfs/dbraw/zinc/22/72/50/618227250.db2.gz ZATQOJVJRVEOCA-UHFFFAOYSA-N 1 2 274.412 3.055 20 30 CGEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC000891466082 618227253 /nfs/dbraw/zinc/22/72/53/618227253.db2.gz ZATQOJVJRVEOCA-UHFFFAOYSA-N 1 2 274.412 3.055 20 30 CGEDLO Cc1ncc(C[N@@H+](C)Cc2csc(C#N)c2)s1 ZINC000891735220 618267035 /nfs/dbraw/zinc/26/70/35/618267035.db2.gz GJHWXTHXTSEURO-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO Cc1ncc(C[N@H+](C)Cc2csc(C#N)c2)s1 ZINC000891735220 618267045 /nfs/dbraw/zinc/26/70/45/618267045.db2.gz GJHWXTHXTSEURO-UHFFFAOYSA-N 1 2 263.391 3.017 20 30 CGEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccccc1F ZINC000255429719 618467753 /nfs/dbraw/zinc/46/77/53/618467753.db2.gz DGEUIVPAULMNQQ-HJWRWDBZSA-N 1 2 266.275 3.370 20 30 CGEDLO C=CC1(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)CCCCC1 ZINC000934425507 618619497 /nfs/dbraw/zinc/61/94/97/618619497.db2.gz OAYLPDSIRLENMU-UHFFFAOYSA-N 1 2 275.396 3.169 20 30 CGEDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000934480321 618630688 /nfs/dbraw/zinc/63/06/88/618630688.db2.gz XREMIGBLOYRTMO-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000934480321 618630690 /nfs/dbraw/zinc/63/06/90/618630690.db2.gz XREMIGBLOYRTMO-INIZCTEOSA-N 1 2 290.794 3.213 20 30 CGEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000934516621 618637249 /nfs/dbraw/zinc/63/72/49/618637249.db2.gz MZBFGPFFGCCTRB-NSHDSACASA-N 1 2 268.282 3.088 20 30 CGEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000934516621 618637251 /nfs/dbraw/zinc/63/72/51/618637251.db2.gz MZBFGPFFGCCTRB-NSHDSACASA-N 1 2 268.282 3.088 20 30 CGEDLO Cc1cc(F)c(C#N)c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000892912522 618952293 /nfs/dbraw/zinc/95/22/93/618952293.db2.gz VASUGJLXCDYCKN-GUYCJALGSA-N 1 2 298.365 3.290 20 30 CGEDLO C=CC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccncc1 ZINC000892972213 618967416 /nfs/dbraw/zinc/96/74/16/618967416.db2.gz GQMZBGNVKDYJJB-ZDUSSCGKSA-N 1 2 286.404 3.218 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151276 619304238 /nfs/dbraw/zinc/30/42/38/619304238.db2.gz XGMNDSLUOSKERJ-HOTGVXAUSA-N 1 2 276.424 3.494 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000932151276 619304241 /nfs/dbraw/zinc/30/42/41/619304241.db2.gz XGMNDSLUOSKERJ-HOTGVXAUSA-N 1 2 276.424 3.494 20 30 CGEDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]CC#Cc2ccccc2)[nH]1 ZINC000894007893 619347919 /nfs/dbraw/zinc/34/79/19/619347919.db2.gz IPJSOQNJJUXNCL-KBPBESRZSA-N 1 2 282.391 3.021 20 30 CGEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000895141045 619751369 /nfs/dbraw/zinc/75/13/69/619751369.db2.gz HTMBJARSSCPBTL-UHFFFAOYSA-N 1 2 293.754 3.422 20 30 CGEDLO COc1c(C)c[nH+]c(CNc2cccc(C#N)c2)c1C ZINC000020051538 619765689 /nfs/dbraw/zinc/76/56/89/619765689.db2.gz QXKYQEFRLHCPRN-UHFFFAOYSA-N 1 2 267.332 3.191 20 30 CGEDLO C=C(C)C[C@@H]([NH2+][C@H](C)Cc1cccs1)C(=O)OCC ZINC000895597220 619858095 /nfs/dbraw/zinc/85/80/95/619858095.db2.gz FZLHHHDDFOOMQZ-TZMCWYRMSA-N 1 2 281.421 3.167 20 30 CGEDLO CCOc1ccc(/C=[NH+]/CCC[C@@H]2CCOC2)c(O)c1 ZINC000840710109 620107515 /nfs/dbraw/zinc/10/75/15/620107515.db2.gz OWJLVJLYRFAKJH-VVBXCHJUSA-N 1 2 277.364 3.027 20 30 CGEDLO CC[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(C#N)c1O ZINC000925260374 620277200 /nfs/dbraw/zinc/27/72/00/620277200.db2.gz YAOJOQDKTBUJAT-JSGCOSHPSA-N 1 2 276.405 3.200 20 30 CGEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079828487 620354565 /nfs/dbraw/zinc/35/45/65/620354565.db2.gz VTTMXMHZKDWCGU-GFCCVEGCSA-N 1 2 268.282 3.441 20 30 CGEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079828487 620354569 /nfs/dbraw/zinc/35/45/69/620354569.db2.gz VTTMXMHZKDWCGU-GFCCVEGCSA-N 1 2 268.282 3.441 20 30 CGEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(C)o1 ZINC000897592473 620405394 /nfs/dbraw/zinc/40/53/94/620405394.db2.gz VKMNDXMXFPFSBO-SFHVURJKSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(C)o1 ZINC000897592473 620405397 /nfs/dbraw/zinc/40/53/97/620405397.db2.gz VKMNDXMXFPFSBO-SFHVURJKSA-N 1 2 296.370 3.342 20 30 CGEDLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897591271 620405477 /nfs/dbraw/zinc/40/54/77/620405477.db2.gz JKRKXWITOAWRHE-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)o1 ZINC000897591271 620405479 /nfs/dbraw/zinc/40/54/79/620405479.db2.gz JKRKXWITOAWRHE-KRWDZBQOSA-N 1 2 282.343 3.033 20 30 CGEDLO CCCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000899126203 620621505 /nfs/dbraw/zinc/62/15/05/620621505.db2.gz NQODMVDUUJFPCH-UHFFFAOYSA-N 1 2 265.401 3.013 20 30 CGEDLO COc1cccc(/C=[NH+]\CC[C@H]2CCC3(CCC3)O2)c1O ZINC000899227522 620626979 /nfs/dbraw/zinc/62/69/79/620626979.db2.gz MTKMBQNGOXFFKS-IIMQCXAKSA-N 1 2 289.375 3.312 20 30 CGEDLO CCn1c[nH+]cc1/C=C1/CCc2cc(OC)ccc2C1=O ZINC000901427733 620883766 /nfs/dbraw/zinc/88/37/66/620883766.db2.gz PVUUNYFDDWSSNW-JYRVWZFOSA-N 1 2 282.343 3.124 20 30 CGEDLO CCOc1ccc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000901428382 620884535 /nfs/dbraw/zinc/88/45/35/620884535.db2.gz ZJJLVYFOFFXPGK-MDZDMXLPSA-N 1 2 270.332 3.321 20 30 CGEDLO Cc1cc(C)c(C(=O)/C=C/c2c[nH+]cn2C)cc1C ZINC000901430115 620885601 /nfs/dbraw/zinc/88/56/01/620885601.db2.gz HBZFIDPGXFJQKB-AATRIKPKSA-N 1 2 254.333 3.241 20 30 CGEDLO COc1cc(C)ccc1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901449287 620890816 /nfs/dbraw/zinc/89/08/16/620890816.db2.gz JCWUIYXTVLDOFQ-BQYQJAHWSA-N 1 2 270.332 3.240 20 30 CGEDLO CSc1ccc2c(c1)CC/C(=C\c1c[nH+]cn1C)C2=O ZINC000901466735 620895758 /nfs/dbraw/zinc/89/57/58/620895758.db2.gz MGXMIGOVWBGELF-KPKJPENVSA-N 1 2 284.384 3.355 20 30 CGEDLO Cc1cc(C(=O)/C=C\c2c[nH+]cn2C(C)C)ccc1O ZINC000901470939 620897287 /nfs/dbraw/zinc/89/72/87/620897287.db2.gz UWKBKAJGSRMVQH-ALCCZGGFSA-N 1 2 270.332 3.374 20 30 CGEDLO Cc1[nH]c(/C=C2/Cc3c(cccc3C)C2=O)[nH+]c1C ZINC000901472548 620897730 /nfs/dbraw/zinc/89/77/30/620897730.db2.gz JUVLRBDAVWOIKV-WQLSENKSSA-N 1 2 252.317 3.157 20 30 CGEDLO CC(C)n1c[nH+]cc1/C=C1\COc2ccc(F)cc2C1=O ZINC000901473382 620898078 /nfs/dbraw/zinc/89/80/78/620898078.db2.gz GFHXCSVLXDJVGD-VZUCSPMQSA-N 1 2 286.306 3.262 20 30 CGEDLO Cc1[nH]c(/C=C2/CCOc3cc(F)ccc3C2=O)[nH+]c1C ZINC000901490705 620898924 /nfs/dbraw/zinc/89/89/24/620898924.db2.gz NRRZEMLDHZIQAH-XFFZJAGNSA-N 1 2 286.306 3.214 20 30 CGEDLO CC(C)c1cccc(C(=O)/C=C\c2c[nH+]cn2C)c1 ZINC000901544487 620932917 /nfs/dbraw/zinc/93/29/17/620932917.db2.gz WQUJMPBVSCGWSC-FPLPWBNLSA-N 1 2 254.333 3.440 20 30 CGEDLO CC[C@H]([NH2+][C@@H](C)c1csnn1)c1cccc(C#N)c1 ZINC000903023796 621542473 /nfs/dbraw/zinc/54/24/73/621542473.db2.gz IVTWSHVZYDLOIR-GWCFXTLKSA-N 1 2 272.377 3.212 20 30 CGEDLO COC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000903101571 621574057 /nfs/dbraw/zinc/57/40/57/621574057.db2.gz JBFZMVDXRUIRHT-CYBMUJFWSA-N 1 2 266.772 3.167 20 30 CGEDLO CN(C)c1cc(-c2ccc(OCCC#N)cc2)cc[nH+]1 ZINC000904849374 622007673 /nfs/dbraw/zinc/00/76/73/622007673.db2.gz MOQLUFRZKDOSNE-UHFFFAOYSA-N 1 2 267.332 3.107 20 30 CGEDLO COCOc1ccc(C#N)cc1-c1c[nH+]c(C(C)C)n1C ZINC000904885755 622010619 /nfs/dbraw/zinc/01/06/19/622010619.db2.gz SGKGJXVQRVONES-UHFFFAOYSA-N 1 2 285.347 3.065 20 30 CGEDLO C#CCCOc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000770666372 625597680 /nfs/dbraw/zinc/59/76/80/625597680.db2.gz KAJNKOYASYLJLC-UHFFFAOYSA-N 1 2 259.324 3.148 20 30 CGEDLO C#CCCOc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000770666372 625597689 /nfs/dbraw/zinc/59/76/89/625597689.db2.gz KAJNKOYASYLJLC-UHFFFAOYSA-N 1 2 259.324 3.148 20 30 CGEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000925412748 623805600 /nfs/dbraw/zinc/80/56/00/623805600.db2.gz CHENTIFUGGESSM-OCCSQVGLSA-N 1 2 285.347 3.206 20 30 CGEDLO CCCCCCCC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000754685522 623924552 /nfs/dbraw/zinc/92/45/52/623924552.db2.gz FWMUIIDWCUILHR-BOPFTXTBSA-N 1 2 278.396 3.367 20 30 CGEDLO NC(Cc1cccnc1)=[NH+]O[C@@H]1CCCc2ccc(F)cc21 ZINC000180089373 624716383 /nfs/dbraw/zinc/71/63/83/624716383.db2.gz SYNYNVPCEWIZOG-MRXNPFEDSA-N 1 2 299.349 3.130 20 30 CGEDLO Cc1cncc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)c1 ZINC000184774105 625268558 /nfs/dbraw/zinc/26/85/58/625268558.db2.gz XXRADVCEDXSGSE-AATRIKPKSA-N 1 2 277.327 3.242 20 30 CGEDLO CCCCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922352358 626001518 /nfs/dbraw/zinc/00/15/18/626001518.db2.gz CXLOVNFHEGSUTR-UHFFFAOYSA-N 1 2 250.342 3.068 20 30 CGEDLO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)n1 ZINC000838925117 626283309 /nfs/dbraw/zinc/28/33/09/626283309.db2.gz KSTLFSYVHOCCOW-UHFFFAOYSA-N 1 2 263.772 3.169 20 30 CGEDLO C#CCC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000839042770 626309112 /nfs/dbraw/zinc/30/91/12/626309112.db2.gz NIBFSZDXTMSCHJ-HOCLYGCPSA-N 1 2 273.376 3.025 20 30 CGEDLO C#CCC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000839042770 626309116 /nfs/dbraw/zinc/30/91/16/626309116.db2.gz NIBFSZDXTMSCHJ-HOCLYGCPSA-N 1 2 273.376 3.025 20 30 CGEDLO COc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000750946369 626371101 /nfs/dbraw/zinc/37/11/01/626371101.db2.gz PUBKYOWMWHZYLB-UHFFFAOYSA-N 1 2 292.342 3.327 20 30 CGEDLO Fc1ccc(C#CC[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000757147385 626757912 /nfs/dbraw/zinc/75/79/12/626757912.db2.gz XPSAMCOUGJTKQI-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO Fc1ccc(C#CC[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000757147385 626757914 /nfs/dbraw/zinc/75/79/14/626757914.db2.gz XPSAMCOUGJTKQI-UHFFFAOYSA-N 1 2 283.321 3.375 20 30 CGEDLO C[C@H](CC1CCCCC1)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000757755807 626806402 /nfs/dbraw/zinc/80/64/02/626806402.db2.gz ZCHJTIKANNCFRL-CRAIPNDOSA-N 1 2 289.467 3.265 20 30 CGEDLO C[C@H](CC1CCCCC1)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000757755807 626806403 /nfs/dbraw/zinc/80/64/03/626806403.db2.gz ZCHJTIKANNCFRL-CRAIPNDOSA-N 1 2 289.467 3.265 20 30 CGEDLO C=CC1CC[NH+](Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000124996230 634541588 /nfs/dbraw/zinc/54/15/88/634541588.db2.gz KSOFXMXKNBGRSC-UHFFFAOYSA-N 1 2 274.195 3.125 20 30 CGEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)CCO2 ZINC000763116563 627140850 /nfs/dbraw/zinc/14/08/50/627140850.db2.gz KTAMXOYCVPPYSJ-FMIVXFBMSA-N 1 2 268.316 3.075 20 30 CGEDLO C#CC[N@@H+](Cc1nc2ccccc2n1CCC)C1CC1 ZINC000764680845 627218126 /nfs/dbraw/zinc/21/81/26/627218126.db2.gz CAXRXCUJLRUMPG-UHFFFAOYSA-N 1 2 267.376 3.044 20 30 CGEDLO C#CC[N@H+](Cc1nc2ccccc2n1CCC)C1CC1 ZINC000764680845 627218129 /nfs/dbraw/zinc/21/81/29/627218129.db2.gz CAXRXCUJLRUMPG-UHFFFAOYSA-N 1 2 267.376 3.044 20 30 CGEDLO CCc1cnccc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000766771298 627359451 /nfs/dbraw/zinc/35/94/51/627359451.db2.gz BFLFGMFEBSFSFN-VOTSOKGWSA-N 1 2 291.354 3.496 20 30 CGEDLO C=C(CC)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835663206 634579389 /nfs/dbraw/zinc/57/93/89/634579389.db2.gz WFSGIANFDCNQOA-UHFFFAOYSA-N 1 2 270.332 3.054 20 30 CGEDLO N#Cc1ccc2c(c1)CC/C(=C\c1cccc3[nH+]ccn31)C2=O ZINC000769609432 627569362 /nfs/dbraw/zinc/56/93/62/627569362.db2.gz JFEPJZRIGOCNSB-RVDMUPIBSA-N 1 2 299.333 3.418 20 30 CGEDLO N#C[C@H]1CCC[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000774273235 627971545 /nfs/dbraw/zinc/97/15/45/627971545.db2.gz QRXOZFFZQGZHLE-GOEBONIOSA-N 1 2 285.391 3.017 20 30 CGEDLO Cc1ccc(N2CC[N@H+](CC3(C#N)CC3)[C@H](C)C2)cc1C ZINC000775973211 628153965 /nfs/dbraw/zinc/15/39/65/628153965.db2.gz QSLZAYJRIDQZOX-MRXNPFEDSA-N 1 2 283.419 3.118 20 30 CGEDLO Cc1ccc(N2CC[N@@H+](CC3(C#N)CC3)[C@H](C)C2)cc1C ZINC000775973211 628153969 /nfs/dbraw/zinc/15/39/69/628153969.db2.gz QSLZAYJRIDQZOX-MRXNPFEDSA-N 1 2 283.419 3.118 20 30 CGEDLO C#CCCC[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000782102736 628616035 /nfs/dbraw/zinc/61/60/35/628616035.db2.gz MUGGUZSDFCSYOJ-HNNXBMFYSA-N 1 2 297.320 3.492 20 30 CGEDLO C#CCCC[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000782102736 628616038 /nfs/dbraw/zinc/61/60/38/628616038.db2.gz MUGGUZSDFCSYOJ-HNNXBMFYSA-N 1 2 297.320 3.492 20 30 CGEDLO CCOc1ccc(/C=[NH+]\CC[C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000783684796 628739519 /nfs/dbraw/zinc/73/95/19/628739519.db2.gz JFZYKTVLBPWEJL-JXZQLDPRSA-N 1 2 291.391 3.415 20 30 CGEDLO C(=NNc1ccccc1)c1cc(-n2cc[nH+]c2)cs1 ZINC000783771613 628747220 /nfs/dbraw/zinc/74/72/20/628747220.db2.gz FYAANFBUMYCKQY-UHFFFAOYSA-N 1 2 268.345 3.380 20 30 CGEDLO CC(C)(C)CCNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783860842 628752290 /nfs/dbraw/zinc/75/22/90/628752290.db2.gz GMRSQPCVJZWRHP-UHFFFAOYSA-N 1 2 276.409 3.294 20 30 CGEDLO C[NH+](C)[C@@H](C(=O)OCCCC(C)(C)C#N)c1ccccc1 ZINC000784589004 628823775 /nfs/dbraw/zinc/82/37/75/628823775.db2.gz PYTKELKUQQBIKB-OAHLLOKOSA-N 1 2 288.391 3.162 20 30 CGEDLO C=CCCCCC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000785675537 628879544 /nfs/dbraw/zinc/87/95/44/628879544.db2.gz RKEUCBHKYUCNAX-AWEZNQCLSA-N 1 2 291.395 3.067 20 30 CGEDLO C=CCCCCC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000785675537 628879546 /nfs/dbraw/zinc/87/95/46/628879546.db2.gz RKEUCBHKYUCNAX-AWEZNQCLSA-N 1 2 291.395 3.067 20 30 CGEDLO CCN(C)c1ccc(C=[NH+]Nc2ccccc2F)cn1 ZINC000790155047 629187450 /nfs/dbraw/zinc/18/74/50/629187450.db2.gz AWZAOQZKZGNXHY-UHFFFAOYSA-N 1 2 272.327 3.123 20 30 CGEDLO C=CC[C@H](C(=O)OCc1cc[nH+]c(N)c1)c1ccccc1 ZINC000792158052 629341230 /nfs/dbraw/zinc/34/12/30/629341230.db2.gz MLTYBCKFIFETGQ-HNNXBMFYSA-N 1 2 282.343 3.067 20 30 CGEDLO C#C[C@H](NCc1[nH]c(C)c(C)[nH+]1)c1ccc(Cl)cc1 ZINC000862369354 629354184 /nfs/dbraw/zinc/35/41/84/629354184.db2.gz CDYIIUZHVKNBSQ-AWEZNQCLSA-N 1 2 273.767 3.144 20 30 CGEDLO C#CC[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000792302349 629354840 /nfs/dbraw/zinc/35/48/40/629354840.db2.gz UPAVRBHHWOGDQI-UHFFFAOYSA-N 1 2 272.573 3.168 20 30 CGEDLO C#CC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000792302349 629354842 /nfs/dbraw/zinc/35/48/42/629354842.db2.gz UPAVRBHHWOGDQI-UHFFFAOYSA-N 1 2 272.573 3.168 20 30 CGEDLO CCn1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000792314713 629355722 /nfs/dbraw/zinc/35/57/22/629355722.db2.gz ZVPHSEXGEGNWCO-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO CCn1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000792314713 629355725 /nfs/dbraw/zinc/35/57/25/629355725.db2.gz ZVPHSEXGEGNWCO-UHFFFAOYSA-N 1 2 271.339 3.151 20 30 CGEDLO Cc1ccoc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000119033353 629420332 /nfs/dbraw/zinc/42/03/32/629420332.db2.gz LEDKGWQWOXEZSI-AATRIKPKSA-N 1 2 252.273 3.132 20 30 CGEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CCSC1=O ZINC000794651440 629563943 /nfs/dbraw/zinc/56/39/43/629563943.db2.gz UBJILPZDFJAIDR-UHFFFAOYSA-N 1 2 276.405 3.191 20 30 CGEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CCSC1=O ZINC000794651440 629563946 /nfs/dbraw/zinc/56/39/46/629563946.db2.gz UBJILPZDFJAIDR-UHFFFAOYSA-N 1 2 276.405 3.191 20 30 CGEDLO Cc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794690701 629567706 /nfs/dbraw/zinc/56/77/06/629567706.db2.gz IYDBWMJRQOUCAB-HJWRWDBZSA-N 1 2 286.400 3.409 20 30 CGEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000794715839 629570807 /nfs/dbraw/zinc/57/08/07/629570807.db2.gz OEGAJAIRPINUPB-LLVKDONJSA-N 1 2 283.306 3.095 20 30 CGEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccnc(F)c1 ZINC000794721449 629571661 /nfs/dbraw/zinc/57/16/61/629571661.db2.gz ZNGWAZVLPGBRTM-UPHRSURJSA-N 1 2 299.330 3.364 20 30 CGEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ncccc1F ZINC000794994557 629616460 /nfs/dbraw/zinc/61/64/60/629616460.db2.gz XHHIVHLSHUTRTR-UHFFFAOYSA-N 1 2 284.338 3.024 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000796640385 629809242 /nfs/dbraw/zinc/80/92/42/629809242.db2.gz RFDBQHUNTFRFLO-UHFFFAOYSA-N 1 2 290.366 3.202 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC ZINC000796640385 629809244 /nfs/dbraw/zinc/80/92/44/629809244.db2.gz RFDBQHUNTFRFLO-UHFFFAOYSA-N 1 2 290.366 3.202 20 30 CGEDLO C#CC[N@@H+](Cc1ccc(C(=O)OCC)o1)Cc1ccccc1 ZINC000796638639 629809337 /nfs/dbraw/zinc/80/93/37/629809337.db2.gz CRMFAAMMJAFTLR-UHFFFAOYSA-N 1 2 297.354 3.092 20 30 CGEDLO C#CC[N@H+](Cc1ccc(C(=O)OCC)o1)Cc1ccccc1 ZINC000796638639 629809340 /nfs/dbraw/zinc/80/93/40/629809340.db2.gz CRMFAAMMJAFTLR-UHFFFAOYSA-N 1 2 297.354 3.092 20 30 CGEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000796641794 629809808 /nfs/dbraw/zinc/80/98/08/629809808.db2.gz SCEINFDGVPVFHC-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000796641794 629809812 /nfs/dbraw/zinc/80/98/12/629809812.db2.gz SCEINFDGVPVFHC-UHFFFAOYSA-N 1 2 278.330 3.333 20 30 CGEDLO Cc1ccc2c(NNc3cc[nH+]cc3Cl)csc2c1 ZINC000797786376 629982485 /nfs/dbraw/zinc/98/24/85/629982485.db2.gz SYFJNGUOPLCIBJ-UHFFFAOYSA-N 1 2 289.791 3.387 20 30 CGEDLO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000797998251 630013409 /nfs/dbraw/zinc/01/34/09/630013409.db2.gz DGEQVSHNJRCLEN-GDLVEWKHSA-N 1 2 297.345 3.302 20 30 CGEDLO Cc1cc(OCCO[C@@H](C)C#N)c2cccc(C)c2[nH+]1 ZINC000802732882 630406235 /nfs/dbraw/zinc/40/62/35/630406235.db2.gz REYXNKFZWIBQHS-ZDUSSCGKSA-N 1 2 270.332 3.159 20 30 CGEDLO C#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1 ZINC000809640714 630772074 /nfs/dbraw/zinc/77/20/74/630772074.db2.gz KCIKSRGVSJOEPR-UHFFFAOYSA-N 1 2 289.338 3.008 20 30 CGEDLO N#CC1(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809658989 630776631 /nfs/dbraw/zinc/77/66/31/630776631.db2.gz CYFFYGUGOLYIAR-UHFFFAOYSA-N 1 2 295.173 3.034 20 30 CGEDLO COc1cccc2cc(C[NH2+]Cc3nc(C#N)cs3)oc21 ZINC000810142171 630844975 /nfs/dbraw/zinc/84/49/75/630844975.db2.gz UZBRNIDSPFSVEK-UHFFFAOYSA-N 1 2 299.355 3.059 20 30 CGEDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1F ZINC000810152357 630847821 /nfs/dbraw/zinc/84/78/21/630847821.db2.gz PFGMSNOOPKFVNQ-SECBINFHSA-N 1 2 291.351 3.013 20 30 CGEDLO C#C[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccc(Cl)cc1 ZINC000811516161 631082273 /nfs/dbraw/zinc/08/22/73/631082273.db2.gz FZDFDIQUDWKVIF-CQSZACIVSA-N 1 2 274.726 3.338 20 30 CGEDLO C=CCCCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000811589787 631088778 /nfs/dbraw/zinc/08/87/78/631088778.db2.gz GFVZLNFKQHPBEF-OAHLLOKOSA-N 1 2 289.423 3.088 20 30 CGEDLO CC(C)[C@H]1CC(=[NH+]n2cc(Br)cn2)CS1 ZINC000814884762 631664954 /nfs/dbraw/zinc/66/49/54/631664954.db2.gz XVCLRJAMIZPREN-SNVBAGLBSA-N 1 2 288.214 3.011 20 30 CGEDLO CCCCCCCS(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817141369 632086961 /nfs/dbraw/zinc/08/69/61/632086961.db2.gz HIFQAHHJNIXLQB-UHFFFAOYSA-N 1 2 298.452 3.088 20 30 CGEDLO CCOc1cccc(/C=N\Cc2cc(C)[nH+]c(C)c2)c1O ZINC000817707847 632202243 /nfs/dbraw/zinc/20/22/43/632202243.db2.gz PGWCEBSWNQZLEQ-WQRHYEAKSA-N 1 2 284.359 3.422 20 30 CGEDLO C#CCOc1ccc(F)cc1NCc1c[nH+]cn1C(C)C ZINC000818191420 632294907 /nfs/dbraw/zinc/29/49/07/632294907.db2.gz AHYPNRFZNJRRTE-UHFFFAOYSA-N 1 2 287.338 3.227 20 30 CGEDLO Cc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1C ZINC000821026903 632714040 /nfs/dbraw/zinc/71/40/40/632714040.db2.gz AHQVYTLIPGMXCJ-QPJJXVBHSA-N 1 2 252.317 3.177 20 30 CGEDLO Nc1ccc(/C=C\C(=O)c2ccc(F)c(Cl)c2)c[nH+]1 ZINC000821040304 632715926 /nfs/dbraw/zinc/71/59/26/632715926.db2.gz XJYZQDIQUIMPGH-KTAJNNJTSA-N 1 2 276.698 3.352 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1NCc1ccnc(F)c1 ZINC000866089997 632995537 /nfs/dbraw/zinc/99/55/37/632995537.db2.gz MTGBRQVLEWVIHZ-UHFFFAOYSA-N 1 2 285.322 3.020 20 30 CGEDLO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)CCO1 ZINC000866287865 633066655 /nfs/dbraw/zinc/06/66/55/633066655.db2.gz AXSWGTPASHYLMM-BJJXKVORSA-N 1 2 288.391 3.118 20 30 CGEDLO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1nccs1 ZINC000866337984 633086121 /nfs/dbraw/zinc/08/61/21/633086121.db2.gz NHLZBSATYKINOF-GHMZBOCLSA-N 1 2 287.388 3.175 20 30 CGEDLO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866341045 633088593 /nfs/dbraw/zinc/08/85/93/633088593.db2.gz NTCMYFFZAUMEAY-RKDXNWHRSA-N 1 2 272.270 3.255 20 30 CGEDLO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc(C#N)c1O ZINC000866360735 633100816 /nfs/dbraw/zinc/10/08/16/633100816.db2.gz YQVXWEFEEKGNBC-GDZNZVCISA-N 1 2 296.370 3.037 20 30 CGEDLO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000824683434 633272283 /nfs/dbraw/zinc/27/22/83/633272283.db2.gz JRQNXLVAWMWPNW-JQWIXIFHSA-N 1 2 264.756 3.218 20 30 CGEDLO N#CC[C@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000826861827 633437844 /nfs/dbraw/zinc/43/78/44/633437844.db2.gz KWFUQMWWVJOGFK-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC[C@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000826861827 633437845 /nfs/dbraw/zinc/43/78/45/633437845.db2.gz KWFUQMWWVJOGFK-SNVBAGLBSA-N 1 2 283.169 3.168 20 30 CGEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826862108 633438743 /nfs/dbraw/zinc/43/87/43/633438743.db2.gz UZSLRDZHLLMTDV-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826862108 633438744 /nfs/dbraw/zinc/43/87/44/633438744.db2.gz UZSLRDZHLLMTDV-NSHDSACASA-N 1 2 293.754 3.374 20 30 CGEDLO C#CC1CC[NH+](Cc2csc([C@H](C)OCC)n2)CC1 ZINC000830326140 633850129 /nfs/dbraw/zinc/85/01/29/633850129.db2.gz CYODSUVRPLEMJO-LBPRGKRZSA-N 1 2 278.421 3.086 20 30 CGEDLO CCc1nc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)co1 ZINC000834898629 634275636 /nfs/dbraw/zinc/27/56/36/634275636.db2.gz NJBYZXXSYSRLEM-SNVBAGLBSA-N 1 2 273.311 3.099 20 30 CGEDLO Cc1cccc(Cl)c1N[NH2+]C1=CC(=O)N2CCCC[C@@H]12 ZINC000835011784 634316040 /nfs/dbraw/zinc/31/60/40/634316040.db2.gz TZXWUDHVWQEYGH-ZDUSSCGKSA-N 1 2 291.782 3.201 20 30 CGEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876616845 634869010 /nfs/dbraw/zinc/86/90/10/634869010.db2.gz BOFPHVZGSPNHGY-SECBINFHSA-N 1 2 263.728 3.073 20 30 CGEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000876616845 634869015 /nfs/dbraw/zinc/86/90/15/634869015.db2.gz BOFPHVZGSPNHGY-SECBINFHSA-N 1 2 263.728 3.073 20 30 CGEDLO CCOc1ccc(O)c(/C=[NH+]\C[C@@H]2CCOC(C)(C)C2)c1 ZINC000840710135 635038737 /nfs/dbraw/zinc/03/87/37/635038737.db2.gz PABQVAMWPRZZPE-FDIDITGRSA-N 1 2 291.391 3.415 20 30 CGEDLO CC1=C(C)C[N@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877493982 635059594 /nfs/dbraw/zinc/05/95/94/635059594.db2.gz GBEOBZYSEBMCSX-UHFFFAOYSA-N 1 2 261.756 3.149 20 30 CGEDLO CC1=C(C)C[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877493982 635059598 /nfs/dbraw/zinc/05/95/98/635059598.db2.gz GBEOBZYSEBMCSX-UHFFFAOYSA-N 1 2 261.756 3.149 20 30 CGEDLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877536556 635077604 /nfs/dbraw/zinc/07/76/04/635077604.db2.gz URNFTVQLTQMLQF-MEBBXXQBSA-N 1 2 299.761 3.218 20 30 CGEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878699110 635607920 /nfs/dbraw/zinc/60/79/20/635607920.db2.gz MXIPAPCMFKKSSU-RYUDHWBXSA-N 1 2 293.798 3.257 20 30 CGEDLO C#C[C@H]([NH2+]Cc1ccnn1CC(C)C)c1ccc(F)cc1 ZINC000843410162 635661639 /nfs/dbraw/zinc/66/16/39/635661639.db2.gz UQVKJAKEVIWZMS-KRWDZBQOSA-N 1 2 285.366 3.142 20 30 CGEDLO CCSc1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848416974 636571346 /nfs/dbraw/zinc/57/13/46/636571346.db2.gz GDQKHTLFHOBJGG-UHFFFAOYSA-N 1 2 288.420 3.009 20 30 CGEDLO CC(C)[C@H]1CC[C@@H](C)CC1N=NCCCn1cc[nH+]c1 ZINC000848417114 636571382 /nfs/dbraw/zinc/57/13/82/636571382.db2.gz LFJOUBSPHFOBTH-HUUCEWRRSA-N 1 2 276.428 3.311 20 30 CGEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(C)c(C)cc1C ZINC000848419546 636572991 /nfs/dbraw/zinc/57/29/91/636572991.db2.gz XJIGPVHRFNWYNN-UHFFFAOYSA-N 1 2 284.407 3.212 20 30 CGEDLO CC(C)[C@H]1CCC(=NNCCCn2cc[nH+]c2)C[C@H]1C ZINC000848419196 636573133 /nfs/dbraw/zinc/57/31/33/636573133.db2.gz VSZKSJKGAXFCGU-GDBMZVCRSA-N 1 2 276.428 3.311 20 30 CGEDLO C=CCC[C@H](Nc1cc(COC)cc[nH+]1)[C@@H]1CCCO1 ZINC000883233715 636603506 /nfs/dbraw/zinc/60/35/06/636603506.db2.gz OEEHGKFQNKBIJN-GJZGRUSLSA-N 1 2 276.380 3.154 20 30 CGEDLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccc(C#N)cc1 ZINC000883313260 636663629 /nfs/dbraw/zinc/66/36/29/636663629.db2.gz ZLMNWRPZXUNZKR-CYBMUJFWSA-N 1 2 278.359 3.078 20 30 CGEDLO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc(C#N)c1O ZINC000883369196 636710133 /nfs/dbraw/zinc/71/01/33/636710133.db2.gz LSVDOWDMMIKFTL-VMGRFDJRSA-N 1 2 286.375 3.016 20 30 CGEDLO C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000883392241 636736992 /nfs/dbraw/zinc/73/69/92/636736992.db2.gz CTXPXZLSVTWSGS-BXUZGUMPSA-N 1 2 283.799 3.413 20 30 CGEDLO COc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cc1C#N ZINC000850410666 637052689 /nfs/dbraw/zinc/05/26/89/637052689.db2.gz ZQNJUGCUIVUPAF-UHFFFAOYSA-N 1 2 282.334 3.338 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000852099153 637592212 /nfs/dbraw/zinc/59/22/12/637592212.db2.gz FTSOLRYYXZGTQG-HZMBPMFUSA-N 1 2 275.377 3.251 20 30 CGEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(-c2cccs2)no1 ZINC000852099156 637593333 /nfs/dbraw/zinc/59/33/33/637593333.db2.gz FTSOLRYYXZGTQG-YGRLFVJLSA-N 1 2 275.377 3.251 20 30 CGEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000852101956 637595848 /nfs/dbraw/zinc/59/58/48/637595848.db2.gz ITDMBZVQSVKNDZ-OAHLLOKOSA-N 1 2 289.766 3.282 20 30 CGEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)C[C@H]1CCOC1 ZINC000853446865 637845878 /nfs/dbraw/zinc/84/58/78/637845878.db2.gz PVPHBFRYGMFCEF-HUUCEWRRSA-N 1 2 288.391 3.101 20 30 CGEDLO CC[C@@H]([NH2+]CCCOC(C)C)c1cccc(C#N)c1O ZINC000924551939 638360641 /nfs/dbraw/zinc/36/06/41/638360641.db2.gz XMHCRVKDQBQVCI-OAHLLOKOSA-N 1 2 276.380 3.120 20 30 CGEDLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000926550065 638784304 /nfs/dbraw/zinc/78/43/04/638784304.db2.gz KARZHBRQMCPLOW-CQSZACIVSA-N 1 2 285.322 3.161 20 30 CGEDLO CC[C@@H]([NH2+]CCc1ccc(C)cn1)c1cccc(C#N)c1O ZINC000926563620 638785823 /nfs/dbraw/zinc/78/58/23/638785823.db2.gz HNACGZFJLSIFQO-QGZVFWFLSA-N 1 2 295.386 3.251 20 30 CGEDLO CC[C@@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cccc(C#N)c1O ZINC000926603874 638790739 /nfs/dbraw/zinc/79/07/39/638790739.db2.gz KIRPTROOMLFHFL-IIAWOOMASA-N 1 2 288.391 3.262 20 30 CGEDLO N#CC1(C[NH2+][C@@H]2CCc3c2nccc3Cl)CCC1 ZINC000926626450 638791821 /nfs/dbraw/zinc/79/18/21/638791821.db2.gz IIBVQMNQTNVNBE-GFCCVEGCSA-N 1 2 261.756 3.006 20 30 CGEDLO CC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc(C#N)c1O ZINC000926821609 638815129 /nfs/dbraw/zinc/81/51/29/638815129.db2.gz KNEGUMNQBMKOBP-UKRRQHHQSA-N 1 2 288.391 3.120 20 30 CGEDLO C=CCC(C)(C)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927079878 638838698 /nfs/dbraw/zinc/83/86/98/638838698.db2.gz PTTLPHSFZIOJSJ-UHFFFAOYSA-N 1 2 287.407 3.087 20 30 CGEDLO CCc1ncc(C[N@@H+](CCC#N)CC(CC)CC)o1 ZINC000929780609 638950224 /nfs/dbraw/zinc/95/02/24/638950224.db2.gz PYFWYAFHLBDZHR-UHFFFAOYSA-N 1 2 263.385 3.389 20 30 CGEDLO CCc1ncc(C[N@H+](CCC#N)CC(CC)CC)o1 ZINC000929780609 638950227 /nfs/dbraw/zinc/95/02/27/638950227.db2.gz PYFWYAFHLBDZHR-UHFFFAOYSA-N 1 2 263.385 3.389 20 30 CGEDLO N#Cc1cncc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000930350583 638992368 /nfs/dbraw/zinc/99/23/68/638992368.db2.gz JAGSFURKLGWUHG-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#Cc1cncc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000930350583 638992369 /nfs/dbraw/zinc/99/23/69/638992369.db2.gz JAGSFURKLGWUHG-KRWDZBQOSA-N 1 2 281.334 3.024 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnc(F)c1 ZINC000859152776 639092142 /nfs/dbraw/zinc/09/21/42/639092142.db2.gz VWFFYJRBEUHURC-IRXDYDNUSA-N 1 2 295.361 3.492 20 30 CGEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnc(F)c1 ZINC000859152776 639092146 /nfs/dbraw/zinc/09/21/46/639092146.db2.gz VWFFYJRBEUHURC-IRXDYDNUSA-N 1 2 295.361 3.492 20 30 CGEDLO C=C(Cl)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859830818 639233967 /nfs/dbraw/zinc/23/39/67/639233967.db2.gz FWERUFBKLSWVLV-UHFFFAOYSA-N 1 2 275.783 3.042 20 30 CGEDLO N#CCCC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932254173 639303283 /nfs/dbraw/zinc/30/32/83/639303283.db2.gz SVFZZBJZPZHZGD-ZDUSSCGKSA-N 1 2 294.196 3.285 20 30 CGEDLO N#CCCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932254173 639303293 /nfs/dbraw/zinc/30/32/93/639303293.db2.gz SVFZZBJZPZHZGD-ZDUSSCGKSA-N 1 2 294.196 3.285 20 30 CGEDLO C=CC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000860900575 639459295 /nfs/dbraw/zinc/45/92/95/639459295.db2.gz DXHWIQGMPDTUAB-DZGCQCFKSA-N 1 2 261.365 3.187 20 30 CGEDLO C=CC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000860900575 639459297 /nfs/dbraw/zinc/45/92/97/639459297.db2.gz DXHWIQGMPDTUAB-DZGCQCFKSA-N 1 2 261.365 3.187 20 30 CGEDLO C[C@@H](c1csnn1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933608271 639468691 /nfs/dbraw/zinc/46/86/91/639468691.db2.gz XHQUUOGIYDXGNE-LBPRGKRZSA-N 1 2 298.415 3.350 20 30 CGEDLO C#CCNc1cc(SCc2ccccc2)cc[nH+]1 ZINC001155654463 805600435 /nfs/dbraw/zinc/60/04/35/805600435.db2.gz XBBNUNGUAGLVII-UHFFFAOYSA-N 1 2 254.358 3.419 20 30 CGEDLO N#CCc1cc[nH+]c(N2CCC(c3ccc(N)cc3)CC2)c1 ZINC001157700456 805854914 /nfs/dbraw/zinc/85/49/14/805854914.db2.gz XNGGIVXHNRZQCS-UHFFFAOYSA-N 1 2 292.386 3.114 20 30 CGEDLO CCCCCCCC[C@H](O)C[NH2+][C@@H](CCC)C(=O)OC ZINC001252140740 806025843 /nfs/dbraw/zinc/02/58/43/806025843.db2.gz SUYRNFAMMBKWHV-GJZGRUSLSA-N 1 2 287.444 3.029 20 30 CGEDLO C=C[C@](C)(O)C[N@@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558329 806063820 /nfs/dbraw/zinc/06/38/20/806063820.db2.gz TWQJDOJTUVATHI-CVEARBPZSA-N 1 2 295.373 3.123 20 30 CGEDLO C=C[C@](C)(O)C[N@H+]1CC[C@H](Cc2ccccc2)C(F)(F)C1 ZINC001252558329 806063830 /nfs/dbraw/zinc/06/38/30/806063830.db2.gz TWQJDOJTUVATHI-CVEARBPZSA-N 1 2 295.373 3.123 20 30 CGEDLO COCc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001159914666 806197753 /nfs/dbraw/zinc/19/77/53/806197753.db2.gz PVEAWXHWAYWEPK-MRXNPFEDSA-N 1 2 279.343 3.199 20 30 CGEDLO N#CCc1cc[nH+]c(NCC2(CC3CC3)CCOCC2)c1 ZINC001161652207 806412614 /nfs/dbraw/zinc/41/26/14/806412614.db2.gz VLXXCTSXYPCGBR-UHFFFAOYSA-N 1 2 285.391 3.156 20 30 CGEDLO N#CCc1ccc(Cl)cc1NCCCn1cc[nH+]c1 ZINC001161689378 806420308 /nfs/dbraw/zinc/42/03/08/806420308.db2.gz QVONTMHNKQSQJA-UHFFFAOYSA-N 1 2 274.755 3.105 20 30 CGEDLO CC[C@@H](CC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255164500 806563212 /nfs/dbraw/zinc/56/32/12/806563212.db2.gz KXWVZCWMUGQICX-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@@H](CC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001255164500 806563217 /nfs/dbraw/zinc/56/32/17/806563217.db2.gz KXWVZCWMUGQICX-KBPBESRZSA-N 1 2 295.427 3.010 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001255174214 806568189 /nfs/dbraw/zinc/56/81/89/806568189.db2.gz UHTOKBSGZVENDH-GDBMZVCRSA-N 1 2 290.432 3.477 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001255174214 806568196 /nfs/dbraw/zinc/56/81/96/806568196.db2.gz UHTOKBSGZVENDH-GDBMZVCRSA-N 1 2 290.432 3.477 20 30 CGEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001255176398 806570601 /nfs/dbraw/zinc/57/06/01/806570601.db2.gz ARLZYBGBXZARRJ-MCIONIFRSA-N 1 2 295.427 3.056 20 30 CGEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001255176398 806570606 /nfs/dbraw/zinc/57/06/06/806570606.db2.gz ARLZYBGBXZARRJ-MCIONIFRSA-N 1 2 295.427 3.056 20 30 CGEDLO C=C(CC)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000313509420 799232522 /nfs/dbraw/zinc/23/25/22/799232522.db2.gz YHCVBHBRDQELRR-UHFFFAOYSA-N 1 2 279.347 3.194 20 30 CGEDLO COc1ccc(C(N)=[NH+]OCc2sccc2Cl)cc1 ZINC000809378061 800433051 /nfs/dbraw/zinc/43/30/51/800433051.db2.gz UHSDHWIZZRFRMS-UHFFFAOYSA-N 1 2 296.779 3.247 20 30 CGEDLO CC(C)[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000925971378 800636696 /nfs/dbraw/zinc/63/66/96/800636696.db2.gz XXTHRRFGDQXEKP-CHWSQXEVSA-N 1 2 282.428 3.271 20 30 CGEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081568 800829668 /nfs/dbraw/zinc/82/96/68/800829668.db2.gz UKWYIJIISDHNAY-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081568 800829673 /nfs/dbraw/zinc/82/96/73/800829673.db2.gz UKWYIJIISDHNAY-KBPBESRZSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032992503 800948934 /nfs/dbraw/zinc/94/89/34/800948934.db2.gz LRWZCHODWBJFPS-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032992503 800948940 /nfs/dbraw/zinc/94/89/40/800948940.db2.gz LRWZCHODWBJFPS-OAHLLOKOSA-N 1 2 296.842 3.162 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355559 800961310 /nfs/dbraw/zinc/96/13/10/800961310.db2.gz LDSMVFVFDIEXKG-CQSZACIVSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355559 800961316 /nfs/dbraw/zinc/96/13/16/800961316.db2.gz LDSMVFVFDIEXKG-CQSZACIVSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600889 800969958 /nfs/dbraw/zinc/96/99/58/800969958.db2.gz DRRPUHGCHUOJGW-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600889 800969962 /nfs/dbraw/zinc/96/99/62/800969962.db2.gz DRRPUHGCHUOJGW-BPLDGKMQSA-N 1 2 298.858 3.098 20 30 CGEDLO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001039048948 801141771 /nfs/dbraw/zinc/14/17/71/801141771.db2.gz VBFCFKCPOTXULR-LBPRGKRZSA-N 1 2 292.448 3.036 20 30 CGEDLO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001039048948 801141772 /nfs/dbraw/zinc/14/17/72/801141772.db2.gz VBFCFKCPOTXULR-LBPRGKRZSA-N 1 2 292.448 3.036 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046181453 801303818 /nfs/dbraw/zinc/30/38/18/801303818.db2.gz VMEOGDVAHXLTFK-INIZCTEOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046181453 801303824 /nfs/dbraw/zinc/30/38/24/801303824.db2.gz VMEOGDVAHXLTFK-INIZCTEOSA-N 1 2 298.858 3.290 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071332531 801527969 /nfs/dbraw/zinc/52/79/69/801527969.db2.gz SEKBTKBSFNWQNM-DGCLKSJQSA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071332531 801527973 /nfs/dbraw/zinc/52/79/73/801527973.db2.gz SEKBTKBSFNWQNM-DGCLKSJQSA-N 1 2 298.839 3.083 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC001088513326 801799897 /nfs/dbraw/zinc/79/98/97/801799897.db2.gz NHLDRFPEORHNCJ-YPMHNXCESA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC001088513326 801799901 /nfs/dbraw/zinc/79/99/01/801799901.db2.gz NHLDRFPEORHNCJ-YPMHNXCESA-N 1 2 298.839 3.002 20 30 CGEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088589012 801802367 /nfs/dbraw/zinc/80/23/67/801802367.db2.gz JZGUUZMKAPNKDL-YCPHGPKFSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088589012 801802376 /nfs/dbraw/zinc/80/23/76/801802376.db2.gz JZGUUZMKAPNKDL-YCPHGPKFSA-N 1 2 296.842 3.064 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001109451569 802116907 /nfs/dbraw/zinc/11/69/07/802116907.db2.gz SLJWIFHVKBCROH-MQYQWHSLSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001109451569 802116912 /nfs/dbraw/zinc/11/69/12/802116912.db2.gz SLJWIFHVKBCROH-MQYQWHSLSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001109894906 802127670 /nfs/dbraw/zinc/12/76/70/802127670.db2.gz VFSXWFVVYGBGSY-ATGSNQNLSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001109894906 802127672 /nfs/dbraw/zinc/12/76/72/802127672.db2.gz VFSXWFVVYGBGSY-ATGSNQNLSA-N 1 2 298.858 3.143 20 30 CGEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001110398299 802141336 /nfs/dbraw/zinc/14/13/36/802141336.db2.gz CFUYTKGHWSSYMQ-UPPURNMVSA-N 1 2 296.842 3.063 20 30 CGEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001110398299 802141342 /nfs/dbraw/zinc/14/13/42/802141342.db2.gz CFUYTKGHWSSYMQ-UPPURNMVSA-N 1 2 296.842 3.063 20 30 CGEDLO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2F)o1 ZINC001116476834 802360156 /nfs/dbraw/zinc/36/01/56/802360156.db2.gz WHVGDGZFOOOATQ-UHFFFAOYSA-N 1 2 264.687 3.234 20 30 CGEDLO Cc1nnn([NH+]=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC001119298192 802644950 /nfs/dbraw/zinc/64/49/50/802644950.db2.gz ABHYFZALSATNJH-GHMZBOCLSA-N 1 2 274.290 3.098 20 30 CGEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(F)cc(C)[nH+]1 ZINC001120932712 802795726 /nfs/dbraw/zinc/79/57/26/802795726.db2.gz VAAQMGKVWYDGQI-UHFFFAOYSA-N 1 2 290.338 3.197 20 30 CGEDLO CCn1c[nH+]cc1COC(=O)C[C@@H](CC#N)c1ccccc1 ZINC001123376111 802938283 /nfs/dbraw/zinc/93/82/83/802938283.db2.gz BPRVRTXRKJRIOV-OAHLLOKOSA-N 1 2 297.358 3.034 20 30 CGEDLO C=C[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001123551545 802952861 /nfs/dbraw/zinc/95/28/61/802952861.db2.gz JILVYZYUAAVPHF-CVEARBPZSA-N 1 2 295.386 3.086 20 30 CGEDLO N#Cc1cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)ccc1N ZINC001244114338 803193567 /nfs/dbraw/zinc/19/35/67/803193567.db2.gz AGNXLYCLNRNPJF-UHFFFAOYSA-N 1 2 260.300 3.198 20 30 CGEDLO CNc1cc(-c2cccc(C3(C#N)CCOCC3)c2)cc[nH+]1 ZINC001244975620 803600361 /nfs/dbraw/zinc/60/03/61/803600361.db2.gz ISWDTBTZWFPLDT-UHFFFAOYSA-N 1 2 293.370 3.362 20 30 CGEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136987393 803668106 /nfs/dbraw/zinc/66/81/06/803668106.db2.gz WMTKIQUNOHAAHB-OAHLLOKOSA-N 1 2 257.312 3.043 20 30 CGEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136987393 803668107 /nfs/dbraw/zinc/66/81/07/803668107.db2.gz WMTKIQUNOHAAHB-OAHLLOKOSA-N 1 2 257.312 3.043 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1ccc(N2CCCC2)o1 ZINC001137066044 803678483 /nfs/dbraw/zinc/67/84/83/803678483.db2.gz DGAOSVIKMFFTOF-UHFFFAOYSA-N 1 2 275.396 3.396 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N2CCCC2)o1 ZINC001137066044 803678487 /nfs/dbraw/zinc/67/84/87/803678487.db2.gz DGAOSVIKMFFTOF-UHFFFAOYSA-N 1 2 275.396 3.396 20 30 CGEDLO C=CC[N@@H+](C)Cc1ccc(Br)nc1Cl ZINC001139112037 804130322 /nfs/dbraw/zinc/13/03/22/804130322.db2.gz HRKGXHOODJJMGX-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C=CC[N@H+](C)Cc1ccc(Br)nc1Cl ZINC001139112037 804130327 /nfs/dbraw/zinc/13/03/27/804130327.db2.gz HRKGXHOODJJMGX-UHFFFAOYSA-N 1 2 275.577 3.115 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(Cl)c1F ZINC001139665824 804246394 /nfs/dbraw/zinc/24/63/94/804246394.db2.gz IHLFWASHHZWVTL-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(Cl)c1F ZINC001139665824 804246400 /nfs/dbraw/zinc/24/64/00/804246400.db2.gz IHLFWASHHZWVTL-UHFFFAOYSA-N 1 2 289.741 3.378 20 30 CGEDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)c(C#N)c1 ZINC001139726474 804267129 /nfs/dbraw/zinc/26/71/29/804267129.db2.gz RAYLOWLCDPAWHH-UHFFFAOYSA-N 1 2 288.391 3.030 20 30 CGEDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C)c(C#N)c1 ZINC001139726474 804267135 /nfs/dbraw/zinc/26/71/35/804267135.db2.gz RAYLOWLCDPAWHH-UHFFFAOYSA-N 1 2 288.391 3.030 20 30 CGEDLO N#Cc1cc(F)cc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001139873270 804304754 /nfs/dbraw/zinc/30/47/54/804304754.db2.gz HWEREYXVPJPMKR-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO N#Cc1cc(F)cc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001139873270 804304764 /nfs/dbraw/zinc/30/47/64/804304764.db2.gz HWEREYXVPJPMKR-ZDUSSCGKSA-N 1 2 250.292 3.021 20 30 CGEDLO C[N@H+](Cc1cccc(C#N)c1Cl)C1CC(F)(F)C1 ZINC001140807976 804523189 /nfs/dbraw/zinc/52/31/89/804523189.db2.gz IWMSADHYWFTWJL-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO C[N@@H+](Cc1cccc(C#N)c1Cl)C1CC(F)(F)C1 ZINC001140807976 804523193 /nfs/dbraw/zinc/52/31/93/804523193.db2.gz IWMSADHYWFTWJL-UHFFFAOYSA-N 1 2 270.710 3.441 20 30 CGEDLO Cc1ncoc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001141056791 804581174 /nfs/dbraw/zinc/58/11/74/804581174.db2.gz FPRGISWOTDBQBA-UHFFFAOYSA-N 1 2 299.349 3.180 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106724 804589791 /nfs/dbraw/zinc/58/97/91/804589791.db2.gz GGQPMXQDEINMDN-YUMQZZPRSA-N 1 2 287.791 3.035 20 30 CGEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106724 804589793 /nfs/dbraw/zinc/58/97/93/804589793.db2.gz GGQPMXQDEINMDN-YUMQZZPRSA-N 1 2 287.791 3.035 20 30 CGEDLO COc1cc(Cl)ncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001141341645 804633279 /nfs/dbraw/zinc/63/32/79/804633279.db2.gz KKSIXESBPJNBOX-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO COc1cc(Cl)ncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001141341645 804633282 /nfs/dbraw/zinc/63/32/82/804633282.db2.gz KKSIXESBPJNBOX-UOJUARBOSA-N 1 2 291.782 3.010 20 30 CGEDLO CC[N@H+](Cc1ccccn1)Cc1ccc(C#N)c(SC)n1 ZINC001141941558 804680917 /nfs/dbraw/zinc/68/09/17/804680917.db2.gz OQXGSVWMUVPVEN-UHFFFAOYSA-N 1 2 298.415 3.092 20 30 CGEDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)c(SC)n1 ZINC001141941558 804680920 /nfs/dbraw/zinc/68/09/20/804680920.db2.gz OQXGSVWMUVPVEN-UHFFFAOYSA-N 1 2 298.415 3.092 20 30 CGEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C(F)F)CC2)c1F ZINC001143173140 804814423 /nfs/dbraw/zinc/81/44/23/804814423.db2.gz QGAOIWFJQYIWLP-UHFFFAOYSA-N 1 2 286.272 3.314 20 30 CGEDLO N#CCC[N@H+](Cc1scc2c1OCCO2)C1CCCC1 ZINC001143186981 804818440 /nfs/dbraw/zinc/81/84/40/804818440.db2.gz GAGGOYPXPUVVKW-UHFFFAOYSA-N 1 2 292.404 3.178 20 30 CGEDLO N#CCC[N@@H+](Cc1scc2c1OCCO2)C1CCCC1 ZINC001143186981 804818449 /nfs/dbraw/zinc/81/84/49/804818449.db2.gz GAGGOYPXPUVVKW-UHFFFAOYSA-N 1 2 292.404 3.178 20 30 CGEDLO COc1c(F)ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143322268 804835198 /nfs/dbraw/zinc/83/51/98/804835198.db2.gz YDDAYKGXEBJAGT-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO COc1c(F)ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001143322268 804835204 /nfs/dbraw/zinc/83/52/04/804835204.db2.gz YDDAYKGXEBJAGT-LLVKDONJSA-N 1 2 280.318 3.099 20 30 CGEDLO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C(F)(F)F)c1 ZINC001143447815 804853276 /nfs/dbraw/zinc/85/32/76/804853276.db2.gz HKGVYVYQENUJLC-UHFFFAOYSA-N 1 2 268.282 3.359 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143468001 804857395 /nfs/dbraw/zinc/85/73/95/804857395.db2.gz AIFAWKOAOJZNDY-LLVKDONJSA-N 1 2 284.281 3.239 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)cc(OC(F)(F)F)c1 ZINC001143468001 804857403 /nfs/dbraw/zinc/85/74/03/804857403.db2.gz AIFAWKOAOJZNDY-LLVKDONJSA-N 1 2 284.281 3.239 20 30 CGEDLO C=CC[NH+](CC=C)Cc1cc(F)cc(F)c1OC ZINC001143560797 804865470 /nfs/dbraw/zinc/86/54/70/804865470.db2.gz DXOSJLPRIJVVRF-UHFFFAOYSA-N 1 2 253.292 3.147 20 30 CGEDLO C=CCSCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248115893 804881373 /nfs/dbraw/zinc/88/13/73/804881373.db2.gz NPHUAQLBQWMRRS-UHFFFAOYSA-N 1 2 298.371 3.342 20 30 CGEDLO Cc1ccc(CSc2ccncc2C#N)c(C)[nH+]1 ZINC001166494280 807047088 /nfs/dbraw/zinc/04/70/88/807047088.db2.gz IIWNGRVLDAGGHY-UHFFFAOYSA-N 1 2 255.346 3.257 20 30 CGEDLO Cc1coc(Nc2cc[nH+]cc2C(F)(F)F)c1C#N ZINC001249586862 805181987 /nfs/dbraw/zinc/18/19/87/805181987.db2.gz IHXDXNZHSIKFLO-UHFFFAOYSA-N 1 2 267.210 3.039 20 30 CGEDLO Cc1ncc(CNc2[nH+]ccc3ccc(C#N)cc32)s1 ZINC001154792190 805488436 /nfs/dbraw/zinc/48/84/36/805488436.db2.gz AYVPJUHLYQZDDI-UHFFFAOYSA-N 1 2 280.356 3.484 20 30 CGEDLO Cc1cnccc1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155220929 805561653 /nfs/dbraw/zinc/56/16/53/805561653.db2.gz ZOBORHVAZAYRCB-UHFFFAOYSA-N 1 2 274.327 3.422 20 30 CGEDLO CCN(C)c1cc(NC(C)(C)c2ccc(C#N)cc2)[nH+]cn1 ZINC001165734915 807016913 /nfs/dbraw/zinc/01/69/13/807016913.db2.gz RDCDVVNHYOGZPK-UHFFFAOYSA-N 1 2 295.390 3.152 20 30 CGEDLO CCN(C)c1cc(NC(C)(C)c2ccc(C#N)cc2)nc[nH+]1 ZINC001165734915 807016922 /nfs/dbraw/zinc/01/69/22/807016922.db2.gz RDCDVVNHYOGZPK-UHFFFAOYSA-N 1 2 295.390 3.152 20 30 CGEDLO C#C[C@@H]1CCCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001167006771 807127321 /nfs/dbraw/zinc/12/73/21/807127321.db2.gz VTKRLAYPYIBBOJ-CQSZACIVSA-N 1 2 250.345 3.393 20 30 CGEDLO C[C@H](Cc1ccco1)[N@H+](CCC#N)Cc1cccnc1 ZINC001258185996 807349999 /nfs/dbraw/zinc/34/99/99/807349999.db2.gz JIUDMUGGWUMQLB-CQSZACIVSA-N 1 2 269.348 3.021 20 30 CGEDLO C[C@H](Cc1ccco1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258185996 807350008 /nfs/dbraw/zinc/35/00/08/807350008.db2.gz JIUDMUGGWUMQLB-CQSZACIVSA-N 1 2 269.348 3.021 20 30 CGEDLO CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258337581 807417019 /nfs/dbraw/zinc/41/70/19/807417019.db2.gz NMNCCFLXHDTMBX-PWSUYJOCSA-N 1 2 285.478 3.181 20 30 CGEDLO CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258337581 807417016 /nfs/dbraw/zinc/41/70/16/807417016.db2.gz NMNCCFLXHDTMBX-PWSUYJOCSA-N 1 2 285.478 3.181 20 30 CGEDLO C=CC[C@H]([NH2+][C@H](CCCC)Cc1ccccc1)C(=O)OC ZINC001258706615 807561415 /nfs/dbraw/zinc/56/14/15/807561415.db2.gz UDPKRPFCJXFUIW-SJORKVTESA-N 1 2 289.419 3.495 20 30 CGEDLO C=CCC[C@@H](C)[NH2+][C@@](C)(Cc1ccccc1)C(=O)OC ZINC001258720797 807568393 /nfs/dbraw/zinc/56/83/93/807568393.db2.gz GDUQDPLYBYZLQS-PBHICJAKSA-N 1 2 275.392 3.105 20 30 CGEDLO C=CCC[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001258736237 807582482 /nfs/dbraw/zinc/58/24/82/807582482.db2.gz OURMEZZETHGHAS-UONOGXRCSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@H](C)[N@@H+]1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001258736237 807582487 /nfs/dbraw/zinc/58/24/87/807582487.db2.gz OURMEZZETHGHAS-UONOGXRCSA-N 1 2 272.383 3.147 20 30 CGEDLO C=CCC[C@H](C)[N@H+]1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001258736237 807582492 /nfs/dbraw/zinc/58/24/92/807582492.db2.gz OURMEZZETHGHAS-UONOGXRCSA-N 1 2 272.383 3.147 20 30 CGEDLO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258792959 807615765 /nfs/dbraw/zinc/61/57/65/807615765.db2.gz ZLOOCKKYCLKAPY-FPMFFAJLSA-N 1 2 267.438 3.475 20 30 CGEDLO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258792959 807615770 /nfs/dbraw/zinc/61/57/70/807615770.db2.gz ZLOOCKKYCLKAPY-FPMFFAJLSA-N 1 2 267.438 3.475 20 30 CGEDLO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1OCC ZINC001169843310 807714637 /nfs/dbraw/zinc/71/46/37/807714637.db2.gz BZWQPSKIJAGRLF-NSHDSACASA-N 1 2 251.757 3.192 20 30 CGEDLO C#C[C@H](C)[N@H+](C)Cc1c(Cl)cccc1OCC ZINC001169843310 807714641 /nfs/dbraw/zinc/71/46/41/807714641.db2.gz BZWQPSKIJAGRLF-NSHDSACASA-N 1 2 251.757 3.192 20 30 CGEDLO N#CC1(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001261783880 807787905 /nfs/dbraw/zinc/78/79/05/807787905.db2.gz YKOXVZZWUVKNBM-MRXNPFEDSA-N 1 2 297.402 3.106 20 30 CGEDLO N#CC1(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001261783880 807787912 /nfs/dbraw/zinc/78/79/12/807787912.db2.gz YKOXVZZWUVKNBM-MRXNPFEDSA-N 1 2 297.402 3.106 20 30 CGEDLO Cc1cc2cc(NCC#Cc3ccccc3)[nH+]cc2[nH]1 ZINC001170425862 807838587 /nfs/dbraw/zinc/83/85/87/807838587.db2.gz IBFJWIVRCXARFT-UHFFFAOYSA-N 1 2 261.328 3.335 20 30 CGEDLO CCN(C)c1ccc(NC2=CC[C@H](C#N)CC2)c[nH+]1 ZINC001212859119 815162410 /nfs/dbraw/zinc/16/24/10/815162410.db2.gz ATNORMNRNVIIJI-LBPRGKRZSA-N 1 2 256.353 3.157 20 30 CGEDLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H]1C ZINC001172374950 808269155 /nfs/dbraw/zinc/26/91/55/808269155.db2.gz QMTIAUORGOZJQV-MHDGFBEUSA-N 1 2 265.422 3.085 20 30 CGEDLO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C[C@H]1C ZINC001172374950 808269159 /nfs/dbraw/zinc/26/91/59/808269159.db2.gz QMTIAUORGOZJQV-MHDGFBEUSA-N 1 2 265.422 3.085 20 30 CGEDLO CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172404130 808292496 /nfs/dbraw/zinc/29/24/96/808292496.db2.gz YXBRCFVTDPGAHS-QWHCGFSZSA-N 1 2 253.411 3.085 20 30 CGEDLO CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172404130 808292498 /nfs/dbraw/zinc/29/24/98/808292498.db2.gz YXBRCFVTDPGAHS-QWHCGFSZSA-N 1 2 253.411 3.085 20 30 CGEDLO CC(C)COCC[C@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001172458820 808329623 /nfs/dbraw/zinc/32/96/23/808329623.db2.gz BTBUYMBVFABRHW-AWEZNQCLSA-N 1 2 252.402 3.254 20 30 CGEDLO C[C@@H](CCCC#N)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172506541 808362915 /nfs/dbraw/zinc/36/29/15/808362915.db2.gz VQYJBBFVIXOMLG-LSDHHAIUSA-N 1 2 299.409 3.264 20 30 CGEDLO C=CC[C@@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172554694 808382920 /nfs/dbraw/zinc/38/29/20/808382920.db2.gz ZWYRGSGJZBNOFV-BZUAXINKSA-N 1 2 273.376 3.030 20 30 CGEDLO N#Cc1ncc(Cl)cc1Nc1cccc2[nH+]c[nH]c21 ZINC001213030919 815204567 /nfs/dbraw/zinc/20/45/67/815204567.db2.gz XOFZYZIDSDAAKE-UHFFFAOYSA-N 1 2 269.695 3.227 20 30 CGEDLO COc1cc(C#N)c(Nc2cccc3[nH+]c[nH]c32)cc1OC ZINC001213031549 815205071 /nfs/dbraw/zinc/20/50/71/815205071.db2.gz FSZGUBHCPGVTKT-UHFFFAOYSA-N 1 2 294.314 3.195 20 30 CGEDLO C=CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1Cl)C(=O)OC ZINC001172857540 808464511 /nfs/dbraw/zinc/46/45/11/808464511.db2.gz WOMZHJWKJOFXCO-HZMBPMFUSA-N 1 2 299.773 3.117 20 30 CGEDLO Cc1nc(C#N)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523064 809060699 /nfs/dbraw/zinc/06/06/99/809060699.db2.gz VBRZHWWCCDSCNU-UHFFFAOYSA-N 1 2 293.374 3.391 20 30 CGEDLO C[N@@H+]1CCC=C(Nc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001175575872 809458546 /nfs/dbraw/zinc/45/85/46/809458546.db2.gz CPEPAIBJTUJTOT-UHFFFAOYSA-N 1 2 282.174 3.496 20 30 CGEDLO C[N@H+]1CCC=C(Nc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001175575872 809458553 /nfs/dbraw/zinc/45/85/53/809458553.db2.gz CPEPAIBJTUJTOT-UHFFFAOYSA-N 1 2 282.174 3.496 20 30 CGEDLO CCOC(=O)c1c(C)oc(Nc2c[nH+]c(C)cc2C)c1C#N ZINC001213507635 815293931 /nfs/dbraw/zinc/29/39/31/815293931.db2.gz AGHHSSKRCLJYGD-UHFFFAOYSA-N 1 2 299.330 3.392 20 30 CGEDLO N#Cc1cc(F)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175713198 809517883 /nfs/dbraw/zinc/51/78/83/809517883.db2.gz VWBWULVQBVSFJR-UHFFFAOYSA-N 1 2 296.227 3.437 20 30 CGEDLO COc1cc(C#N)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176751004 809757532 /nfs/dbraw/zinc/75/75/32/809757532.db2.gz QYEVQPLJXZOHNL-UHFFFAOYSA-N 1 2 294.358 3.306 20 30 CGEDLO COc1cccc(C2CC2)c1[NH+]=C(NO)c1ccccc1N ZINC001213820230 815337410 /nfs/dbraw/zinc/33/74/10/815337410.db2.gz PJTKRBPNWDYGML-UHFFFAOYSA-N 1 2 297.358 3.212 20 30 CGEDLO C#Cc1cc(NC2=CC[C@H](C(F)(F)F)CC2)cc[nH+]1 ZINC001195833943 811294643 /nfs/dbraw/zinc/29/46/43/811294643.db2.gz JJUTWAAUKXFRHY-JTQLQIEISA-N 1 2 266.266 3.143 20 30 CGEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CC(C)(C)C ZINC001195877315 811298113 /nfs/dbraw/zinc/29/81/13/811298113.db2.gz UZXBQNHJTZNVBS-AWEZNQCLSA-N 1 2 281.440 3.336 20 30 CGEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CC(C)(C)C ZINC001195877315 811298120 /nfs/dbraw/zinc/29/81/20/811298120.db2.gz UZXBQNHJTZNVBS-AWEZNQCLSA-N 1 2 281.440 3.336 20 30 CGEDLO C[C@]12C[N@@H+]([C@H](C#N)c3ccccc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250745 811488071 /nfs/dbraw/zinc/48/80/71/811488071.db2.gz BUGRQTSJZSGOEK-IGKNDFSCSA-N 1 2 264.372 3.395 20 30 CGEDLO C[C@]12C[N@H+]([C@H](C#N)c3ccccc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250745 811488075 /nfs/dbraw/zinc/48/80/75/811488075.db2.gz BUGRQTSJZSGOEK-IGKNDFSCSA-N 1 2 264.372 3.395 20 30 CGEDLO COc1ccc(C#N)cc1Nc1[nH+]c(C)ccc1C ZINC001201580587 811911379 /nfs/dbraw/zinc/91/13/79/811911379.db2.gz SFHYWZKWNIWKSV-UHFFFAOYSA-N 1 2 253.305 3.322 20 30 CGEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3nccs3)C2)cc1 ZINC001204548708 812674863 /nfs/dbraw/zinc/67/48/63/812674863.db2.gz AMRCVBHNEIDFJS-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc1 ZINC001204548708 812674869 /nfs/dbraw/zinc/67/48/69/812674869.db2.gz AMRCVBHNEIDFJS-OAHLLOKOSA-N 1 2 299.399 3.058 20 30 CGEDLO N#Cc1ccccc1OC1CC[NH+](Cc2nccs2)CC1 ZINC001204548676 812675046 /nfs/dbraw/zinc/67/50/46/812675046.db2.gz YQHCFBWUEFTDJA-UHFFFAOYSA-N 1 2 299.399 3.058 20 30 CGEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C)c(F)cc1Br ZINC001205568219 813006381 /nfs/dbraw/zinc/00/63/81/813006381.db2.gz GVSSKCDGRYKPGE-SNVBAGLBSA-N 1 2 284.172 3.350 20 30 CGEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(F)cc1Br ZINC001205568219 813006392 /nfs/dbraw/zinc/00/63/92/813006392.db2.gz GVSSKCDGRYKPGE-SNVBAGLBSA-N 1 2 284.172 3.350 20 30 CGEDLO C=C(C)C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(=O)OCC ZINC001207334944 813542830 /nfs/dbraw/zinc/54/28/30/813542830.db2.gz VVQRNVYCYKFCCO-MELADBBJSA-N 1 2 285.453 3.004 20 30 CGEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001208507911 813765583 /nfs/dbraw/zinc/76/55/83/813765583.db2.gz ZYVPVAUCONEYQA-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001208507911 813765591 /nfs/dbraw/zinc/76/55/91/813765591.db2.gz ZYVPVAUCONEYQA-TZMCWYRMSA-N 1 2 298.858 3.146 20 30 CGEDLO C[C@@H]1CC[N@H+](CCCc2cccc(C#N)c2)CC1(F)F ZINC001208845009 813864956 /nfs/dbraw/zinc/86/49/56/813864956.db2.gz NIHZPHOEMKZYOZ-CYBMUJFWSA-N 1 2 278.346 3.468 20 30 CGEDLO C[C@@H]1CC[N@@H+](CCCc2cccc(C#N)c2)CC1(F)F ZINC001208845009 813864969 /nfs/dbraw/zinc/86/49/69/813864969.db2.gz NIHZPHOEMKZYOZ-CYBMUJFWSA-N 1 2 278.346 3.468 20 30 CGEDLO C=CCCCCN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001209208345 813968116 /nfs/dbraw/zinc/96/81/16/813968116.db2.gz RETHGCJWQRLUJW-CQSZACIVSA-N 1 2 272.383 3.148 20 30 CGEDLO C=CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209440799 814041351 /nfs/dbraw/zinc/04/13/51/814041351.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 1 2 250.430 3.291 20 30 CGEDLO C=CCCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209440799 814041358 /nfs/dbraw/zinc/04/13/58/814041358.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 1 2 250.430 3.291 20 30 CGEDLO CCCC[N@H+](CCC#N)Cc1c2ccccc2nn1C ZINC001209535356 814077979 /nfs/dbraw/zinc/07/79/79/814077979.db2.gz BATIKKVKRWJDSW-UHFFFAOYSA-N 1 2 270.380 3.089 20 30 CGEDLO CCCC[N@@H+](CCC#N)Cc1c2ccccc2nn1C ZINC001209535356 814077984 /nfs/dbraw/zinc/07/79/84/814077984.db2.gz BATIKKVKRWJDSW-UHFFFAOYSA-N 1 2 270.380 3.089 20 30 CGEDLO Cn1nc(C[N@H+](CCC#N)C2CCCC2)c2ccccc21 ZINC001209581049 814091851 /nfs/dbraw/zinc/09/18/51/814091851.db2.gz BHJCHWXQVCJKTL-UHFFFAOYSA-N 1 2 282.391 3.232 20 30 CGEDLO Cn1nc(C[N@@H+](CCC#N)C2CCCC2)c2ccccc21 ZINC001209581049 814091859 /nfs/dbraw/zinc/09/18/59/814091859.db2.gz BHJCHWXQVCJKTL-UHFFFAOYSA-N 1 2 282.391 3.232 20 30 CGEDLO C#Cc1ccc(Nc2ccc([NH+](C)C)c(C)c2)cn1 ZINC001210040808 814258519 /nfs/dbraw/zinc/25/85/19/814258519.db2.gz CAERBNQVYPBHQF-UHFFFAOYSA-N 1 2 251.333 3.181 20 30 CGEDLO C#Cc1cc(Nc2ccc(C(F)(F)F)nc2Cl)cc[nH+]1 ZINC001211198131 814846281 /nfs/dbraw/zinc/84/62/81/814846281.db2.gz PLTQUOKEVVNCAM-UHFFFAOYSA-N 1 2 297.667 3.296 20 30 CGEDLO C#Cc1cc(Nc2ccc(OCC)c(C)c2C)cc[nH+]1 ZINC001215988942 815652790 /nfs/dbraw/zinc/65/27/90/815652790.db2.gz RQHVAZJXJHZUPR-UHFFFAOYSA-N 1 2 266.344 3.244 20 30 CGEDLO CCN(C)c1ccc(Nc2cccc(C#N)c2C)c[nH+]1 ZINC001216176340 815720954 /nfs/dbraw/zinc/72/09/54/815720954.db2.gz MCZLAXSODRTJNF-UHFFFAOYSA-N 1 2 266.348 3.461 20 30 CGEDLO C#Cc1cc(Nc2cc(F)cc(N3CCCCC3)c2)cc[nH+]1 ZINC001216178718 815723736 /nfs/dbraw/zinc/72/37/36/815723736.db2.gz TVFQLYKNXHXZDT-UHFFFAOYSA-N 1 2 295.361 3.358 20 30 CGEDLO CCCCCCC[C@@H](CCC)OC[C@H]([NH3+])C(=O)OC ZINC001217898369 815996311 /nfs/dbraw/zinc/99/63/11/815996311.db2.gz WNEQIGSEMVLOIR-KGLIPLIRSA-N 1 2 273.417 3.033 20 30 CGEDLO N#Cc1ccc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2c1 ZINC001218006580 816048149 /nfs/dbraw/zinc/04/81/49/816048149.db2.gz MOEMMNXSQQKANR-HNNXBMFYSA-N 1 2 288.297 3.087 20 30 CGEDLO Cc1[nH]c2ccc(OC3CCC(C#N)CC3)cc2[nH+]1 ZINC001228326095 817878418 /nfs/dbraw/zinc/87/84/18/817878418.db2.gz FHNHAIPZVOXYRW-UHFFFAOYSA-N 1 2 255.321 3.333 20 30 CGEDLO C#Cc1cccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001231659896 818152250 /nfs/dbraw/zinc/15/22/50/818152250.db2.gz WOBOGIRPKHDQMN-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO C#Cc1cccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001231659896 818152254 /nfs/dbraw/zinc/15/22/54/818152254.db2.gz WOBOGIRPKHDQMN-UHFFFAOYSA-N 1 2 282.774 3.275 20 30 CGEDLO Cc1nc(-c2ccccc2)ncc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001231800629 818178002 /nfs/dbraw/zinc/17/80/02/818178002.db2.gz JUAMJBHCGAIWRH-SFHVURJKSA-N 1 2 292.386 3.188 20 30 CGEDLO Cc1nc(-c2ccccc2)ncc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001231800629 818178005 /nfs/dbraw/zinc/17/80/05/818178005.db2.gz JUAMJBHCGAIWRH-SFHVURJKSA-N 1 2 292.386 3.188 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673110 818415371 /nfs/dbraw/zinc/41/53/71/818415371.db2.gz ACUPKMSVORDJGR-ZDUSSCGKSA-N 1 2 278.355 3.383 20 30 CGEDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673110 818415376 /nfs/dbraw/zinc/41/53/76/818415376.db2.gz ACUPKMSVORDJGR-ZDUSSCGKSA-N 1 2 278.355 3.383 20 30 CGEDLO N#Cc1ccc(O)c(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001232678110 818417937 /nfs/dbraw/zinc/41/79/37/818417937.db2.gz PWJGEKOCMSEYLF-UHFFFAOYSA-N 1 2 296.395 3.372 20 30 CGEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3ncsc32)C1 ZINC001232734963 818426734 /nfs/dbraw/zinc/42/67/34/818426734.db2.gz BUGAKNZYIZQMCU-NSHDSACASA-N 1 2 257.362 3.032 20 30 CGEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232734963 818426743 /nfs/dbraw/zinc/42/67/43/818426743.db2.gz BUGAKNZYIZQMCU-NSHDSACASA-N 1 2 257.362 3.032 20 30 CGEDLO Cc1c(Cl)nccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001232751819 818432601 /nfs/dbraw/zinc/43/26/01/818432601.db2.gz RACSEIPLPSPFJF-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO Cc1c(Cl)nccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001232751819 818432603 /nfs/dbraw/zinc/43/26/03/818432603.db2.gz RACSEIPLPSPFJF-UHFFFAOYSA-N 1 2 297.789 3.473 20 30 CGEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(CCO)cc1 ZINC001232774793 818435726 /nfs/dbraw/zinc/43/57/26/818435726.db2.gz OCMGKPOWNYDVSN-UHFFFAOYSA-N 1 2 294.398 3.137 20 30 CGEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(CCO)cc1 ZINC001232774793 818435730 /nfs/dbraw/zinc/43/57/30/818435730.db2.gz OCMGKPOWNYDVSN-UHFFFAOYSA-N 1 2 294.398 3.137 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001232888567 818465481 /nfs/dbraw/zinc/46/54/81/818465481.db2.gz HGWWTNXDORSWNK-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001232888567 818465485 /nfs/dbraw/zinc/46/54/85/818465485.db2.gz HGWWTNXDORSWNK-QGZVFWFLSA-N 1 2 281.334 3.429 20 30 CGEDLO N#Cc1cc[nH]c1C[NH+]1CCC(Sc2ccncc2)CC1 ZINC001233047865 818510010 /nfs/dbraw/zinc/51/00/10/818510010.db2.gz NOMHJORSAJICCA-UHFFFAOYSA-N 1 2 298.415 3.038 20 30 CGEDLO N#Cc1cc[nH]c1C[N@H+](Cc1ccccc1)C1CC1 ZINC001233047831 818510688 /nfs/dbraw/zinc/51/06/88/818510688.db2.gz MXDNHAOFGAEQAP-UHFFFAOYSA-N 1 2 251.333 3.051 20 30 CGEDLO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC001233047831 818510697 /nfs/dbraw/zinc/51/06/97/818510697.db2.gz MXDNHAOFGAEQAP-UHFFFAOYSA-N 1 2 251.333 3.051 20 30 CGEDLO C=C1O[C@@H](CC)C(=O)C1Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234588010 818887996 /nfs/dbraw/zinc/88/79/96/818887996.db2.gz HWKXVPINJRUEFG-ZDUSSCGKSA-N 1 2 289.331 3.037 20 30 CGEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(F)c(N)c2)cc1C#N ZINC001243457322 823410987 /nfs/dbraw/zinc/41/09/87/823410987.db2.gz VCGLMEBWFUYGJG-KEBDBYFISA-N 1 2 282.322 3.168 20 30 CGEDLO CC[N@H+](CCC#N)Cc1ccc(C(F)F)c(OC)c1 ZINC001237274027 819714246 /nfs/dbraw/zinc/71/42/46/819714246.db2.gz NJPKUMBCNKGGNU-UHFFFAOYSA-N 1 2 268.307 3.368 20 30 CGEDLO CC[N@@H+](CCC#N)Cc1ccc(C(F)F)c(OC)c1 ZINC001237274027 819714249 /nfs/dbraw/zinc/71/42/49/819714249.db2.gz NJPKUMBCNKGGNU-UHFFFAOYSA-N 1 2 268.307 3.368 20 30 CGEDLO N#Cc1cc(C[N@H+]2CCC[C@H](C(F)F)C2)c(F)cc1F ZINC001237526656 819772206 /nfs/dbraw/zinc/77/22/06/819772206.db2.gz DGZPYSWEBNAGRM-VIFPVBQESA-N 1 2 286.272 3.314 20 30 CGEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(F)cc1F ZINC001237526656 819772208 /nfs/dbraw/zinc/77/22/08/819772208.db2.gz DGZPYSWEBNAGRM-VIFPVBQESA-N 1 2 286.272 3.314 20 30 CGEDLO C[N@H+](Cc1cc(C#N)c(F)cc1F)C1CC(F)(F)C1 ZINC001237533833 819773362 /nfs/dbraw/zinc/77/33/62/819773362.db2.gz YRSMSUDALRHITD-UHFFFAOYSA-N 1 2 272.245 3.066 20 30 CGEDLO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CC(F)(F)C1 ZINC001237533833 819773365 /nfs/dbraw/zinc/77/33/65/819773365.db2.gz YRSMSUDALRHITD-UHFFFAOYSA-N 1 2 272.245 3.066 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)ccc1OC(C)C ZINC001237729053 819821588 /nfs/dbraw/zinc/82/15/88/819821588.db2.gz XACMTVGKKOJGAX-HNNXBMFYSA-N 1 2 258.365 3.128 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)ccc1OC(C)C ZINC001237729053 819821596 /nfs/dbraw/zinc/82/15/96/819821596.db2.gz XACMTVGKKOJGAX-HNNXBMFYSA-N 1 2 258.365 3.128 20 30 CGEDLO COc1ccc(-c2ccncc2)c(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001238649350 820068116 /nfs/dbraw/zinc/06/81/16/820068116.db2.gz APJRIVMTBOZMAN-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO COc1ccc(-c2ccncc2)c(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001238649350 820068125 /nfs/dbraw/zinc/06/81/25/820068125.db2.gz APJRIVMTBOZMAN-AWEZNQCLSA-N 1 2 293.370 3.103 20 30 CGEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cnc1C1CC1 ZINC001238632003 820069106 /nfs/dbraw/zinc/06/91/06/820069106.db2.gz PJTBIGFJORODLC-INIZCTEOSA-N 1 2 255.365 3.003 20 30 CGEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cnc1C1CC1 ZINC001238632003 820069116 /nfs/dbraw/zinc/06/91/16/820069116.db2.gz PJTBIGFJORODLC-INIZCTEOSA-N 1 2 255.365 3.003 20 30 CGEDLO CSc1cc(C)cc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001238690675 820084912 /nfs/dbraw/zinc/08/49/12/820084912.db2.gz QZOYQBJKLMMUCU-OAHLLOKOSA-N 1 2 260.406 3.453 20 30 CGEDLO CSc1cc(C)cc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001238690675 820084919 /nfs/dbraw/zinc/08/49/19/820084919.db2.gz QZOYQBJKLMMUCU-OAHLLOKOSA-N 1 2 260.406 3.453 20 30 CGEDLO Cc1cc(C)c(C#N)c(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001243657184 823476765 /nfs/dbraw/zinc/47/67/65/823476765.db2.gz LQQKDLAPKNFHHX-UHFFFAOYSA-N 1 2 288.354 3.482 20 30 CGEDLO N#Cc1c2c(cnc1-c1ccn3cc[nH+]c3c1)CCCC2 ZINC001240504048 821101517 /nfs/dbraw/zinc/10/15/17/821101517.db2.gz WCCUATMBRBRFME-UHFFFAOYSA-N 1 2 274.327 3.147 20 30 CGEDLO N#Cc1cnc2cc(-c3ccn4cc[nH+]c4c3)ccc2c1 ZINC001240513649 821109412 /nfs/dbraw/zinc/10/94/12/821109412.db2.gz XZWVFOSZWHNDNX-UHFFFAOYSA-N 1 2 270.295 3.421 20 30 CGEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(CC#N)ccc1F ZINC001241248877 821670070 /nfs/dbraw/zinc/67/00/70/821670070.db2.gz XDHHWVXLKZLHIO-UHFFFAOYSA-N 1 2 269.323 3.328 20 30 CGEDLO CCOc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cn1 ZINC001241705850 822089250 /nfs/dbraw/zinc/08/92/50/822089250.db2.gz WIFTWAUYWZZWFU-UDWIEESQSA-N 1 2 294.358 3.240 20 30 CGEDLO Cc1cc(N)[nH+]cc1-c1ncc2ccccc2c1C#N ZINC001242072795 822332677 /nfs/dbraw/zinc/33/26/77/822332677.db2.gz QFYXYKCYKYKCFY-UHFFFAOYSA-N 1 2 260.300 3.059 20 30 CGEDLO